#DEFINITION	Reference Metabolome for Michelia maudiae
#IDENTTFIER	RefMeta-Michelia maudiae.R1
#FORMAT	msr
#VERSION	1.0/R1
#KEYWORDS	RefMeta
#ORGANISM	Michelia maudiae
#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 Michelia maudiae 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	511.3514
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80301	0.1
59.01266	41.8
60.01594	0.4
61.98735	0.2
63.66894	0.1
70.89215	0.1
70.89617	0.4
71.01264	0.4
80.04954	0.2
81.03350	2.5
83.04916	9.2
89.02346	0.2
93.03353	0.2
95.38132	0.1
97.02877	0.2
107.06076	0.3
108.04481	0.4
116.55493	0.2
125.07147	1.1
133.02850	0.1
135.04463	0.2
143.08221	0.6
161.02440	0.7
207.14986	1.1
208.13406	0.2
224.17690	1.8
225.16086	7.8
226.16483	0.5
242.18787	0.6
250.15744	0.2
309.22064	0.4
324.26617	0.8
333.23013	1.9
334.23651	0.1
351.24133	0.6
364.11786	0.4
367.27167	1.3
376.51224	0.2
384.55527	0.1
385.28247	0.2
433.31873	5.1
434.32178	0.7
451.32996	100.0
452.33319	15.6
489.70111	0.1
511.20963	0.3
511.35187	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.257
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03338	0.1
59.01264	3.0
60.01605	0.3
61.01696	0.3
61.98717	100.0
62.98453	0.1
64.13195	0.1
71.01270	1.1
71.56743	0.2
71.57104	0.2
73.02844	0.5
80.96428	0.4
85.02859	0.4
87.00750	0.2
89.02349	0.2
96.95927	0.2
97.88560	0.1
101.02345	0.6
103.03963	0.1
109.02865	0.2
113.02361	0.3
117.03370	0.2
119.05002	0.2
121.02892	0.2
125.02391	0.4
131.03485	0.2
133.02856	0.9
135.04443	1.5
136.04723	0.1
137.02373	0.2
145.02896	0.3
149.06009	0.2
150.03117	0.2
161.02386	2.6
161.04526	0.3
162.02713	0.3
164.04788	0.1
167.03526	0.1
177.01973	0.3
177.05597	0.1
179.03447	0.9
203.03554	0.5
311.09674	0.2
383.11362	0.1
385.11533	0.1
392.12332	1.8
392.62457	0.8
433.73080	0.1
450.26978	0.9
510.19714	1.2
510.69760	0.4
511.19293	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	511.2197
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01780	0.3
57.03340	0.3
59.01266	5.4
61.98717	0.6
69.91982	0.6
69.92399	1.0
71.01276	3.1
73.02821	0.4
79.13378	0.3
82.05115	0.3
83.01296	0.5
85.02847	1.3
87.00761	0.3
89.02338	1.6
95.01308	0.4
99.00811	0.3
101.02336	2.1
105.03362	0.6
112.00077	0.3
113.02346	1.1
117.03384	1.0
119.03420	0.6
119.04941	0.4
121.02882	0.3
123.04456	0.5
125.02413	0.4
132.02083	1.8
133.02881	28.8
134.03113	1.4
135.03419	0.5
135.04448	8.7
136.04802	0.5
137.02380	0.7
145.02846	0.3
149.02380	0.3
149.06000	0.6
150.03217	0.6
152.99506	0.4
161.02391	100.0
162.02740	4.9
163.04016	0.4
177.05544	0.7
179.03462	5.8
180.03865	0.5
195.06668	0.5
220.96715	0.3
221.04547	0.5
281.06720	0.5
320.22086	0.3
323.08069	0.3
333.59006	0.7
451.28934	0.5
511.21948	85.2
512.22302	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	510.2202
Annotation	Unknow
Peak:m/z	Relative Intensity
55.20293	0.3
59.01263	2.0
61.98717	100.0
63.93673	0.3
71.01279	1.1
71.30653	0.5
73.02823	0.3
78.95805	0.4
85.02842	0.5
87.00766	0.5
89.02357	0.4
96.95930	0.3
101.02401	0.5
113.02346	0.5
114.62949	0.3
125.02396	0.5
129.26024	0.2
133.02936	1.5
135.04456	2.9
136.04788	0.4
149.05972	0.6
150.03201	0.4
161.02403	4.7
162.02777	0.7
163.03983	0.3
175.04037	0.4
177.05518	0.3
179.03473	2.0
203.03583	0.8
299.01993	0.3
311.09637	2.7
311.59866	0.6
323.09689	1.1
323.59796	0.8
345.09164	0.4
347.15182	0.5
348.15485	1.2
384.12631	0.3
392.12427	0.7
392.62360	0.5
397.41953	0.3
466.65353	0.3
480.04767	0.3
509.64258	0.3
510.20569	2.1
510.70813	0.4
511.21338	1.0
514.34119	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2207
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70330	0.2
59.01263	1.9
60.01609	0.2
61.98718	100.0
62.98429	0.3
71.01273	1.9
71.56680	0.3
72.99178	0.2
73.02831	1.8
76.30332	0.2
78.95821	0.2
78.98497	0.2
80.18451	0.2
80.96416	1.8
85.02844	0.6
87.00795	0.8
89.02361	0.7
94.97961	0.3
101.02383	1.0
107.04953	0.5
113.02373	0.4
115.03922	0.3
117.03362	0.5
119.04946	15.2
123.04475	0.3
125.02380	0.8
131.03467	0.4
133.02895	2.2
134.03688	0.6
135.04462	4.6
145.02853	1.5
149.06046	0.6
161.02397	8.1
162.02783	0.5
163.03961	19.1
164.04726	0.3
164.98563	0.3
175.03937	0.4
177.05630	0.3
179.03442	2.6
179.04709	0.2
179.07074	0.5
180.03798	0.2
203.03410	1.1
211.13504	0.4
225.00809	0.6
240.79202	0.2
241.29608	0.2
255.16124	0.7
325.09406	1.6
349.16766	0.7
383.11993	0.8
392.12204	4.7
392.16696	0.4
392.62430	1.2
393.12601	0.7
450.23331	0.4
465.51328	0.2
488.18280	0.3
510.19922	1.9
510.69669	0.6
511.19748	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	510.2206
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	0.8
59.20370	0.1
61.98718	100.0
71.01303	0.7
71.60231	0.2
72.99223	0.2
73.02838	0.3
85.02859	0.3
87.00776	0.2
87.51071	0.1
89.02364	0.2
95.01297	0.1
101.02387	0.3
107.04954	0.2
113.02360	0.3
119.04990	0.2
121.02842	0.1
125.02406	0.2
133.02875	0.8
135.04453	1.1
148.68803	0.1
149.06035	0.3
150.03162	0.2
161.02385	2.5
162.02728	0.3
177.05603	0.1
179.03467	1.0
203.03581	0.3
225.62462	0.1
249.73618	0.1
311.09576	1.2
311.59933	0.6
323.09592	0.7
323.59906	0.2
345.09354	0.4
384.62762	0.2
392.12643	0.2
392.62576	0.4
495.61557	0.2
509.64362	0.2
510.20502	0.6
511.21835	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.2324
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03337	0.6
58.08124	0.5
59.01270	5.6
61.98713	2.9
71.01271	4.2
71.59991	1.1
72.01589	0.6
72.18494	0.5
73.02855	1.3
78.65582	0.5
78.95798	12.5
84.60928	0.5
85.02832	0.9
89.02340	2.6
101.02347	2.4
105.05122	0.5
113.02342	1.6
118.26222	0.5
119.04961	0.7
121.02840	0.9
121.19501	0.6
122.00018	0.6
122.03636	1.0
123.04405	0.7
125.48524	0.6
131.03404	1.1
133.02866	1.9
133.90973	0.6
134.03680	0.6
135.04456	3.9
140.01103	4.9
152.99529	4.4
161.02409	7.3
161.04468	0.8
162.02690	0.6
167.14381	1.3
179.03523	2.9
189.32388	0.6
191.05553	0.7
193.15933	0.8
196.03784	2.2
203.03392	1.2
214.04904	5.1
215.10689	1.2
223.20663	1.4
249.18655	7.6
250.19077	1.0
267.19714	100.0
268.20023	7.7
275.16592	9.8
276.16986	0.9
293.17667	37.0
294.18030	3.7
311.18716	48.8
312.19147	4.1
316.18781	0.7
384.12317	1.0
392.12317	9.0
392.62564	4.8
393.12677	1.0
448.23029	2.0
450.27841	0.7
460.08337	0.8
508.23315	74.2
509.23615	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	509.2553
Annotation	Unknow
Peak:m/z	Relative Intensity
54.69573	0.5
56.58899	0.6
58.70616	0.6
59.01250	1.1
61.98707	1.1
62.10839	0.5
115.33114	0.5
119.04948	2.1
121.02875	100.0
122.03214	4.6
138.35857	0.6
152.99490	0.8
156.76508	0.8
343.23239	0.6
412.51184	0.7
419.03903	0.6
449.23492	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	509.2896
Annotation	CHEBI:68981
Peak:m/z	Relative Intensity
53.90118	0.3
69.70571	0.3
69.70913	2.2
78.95792	19.7
92.56317	0.4
95.82010	0.3
96.96857	1.7
152.99522	33.7
153.99860	0.5
171.00604	2.5
227.03259	4.5
245.04356	5.4
281.24908	100.0
282.25281	11.5
355.15704	0.5
417.24231	0.8
509.28940	69.0
510.29349	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	507.3551
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01771	3.5
56.60913	0.1
57.03341	3.1
58.00482	1.0
59.01270	14.7
61.98706	0.3
68.99696	0.5
69.03348	0.9
71.01273	40.8
72.01608	0.5
72.23714	0.2
72.99200	2.0
73.02839	14.7
74.03166	0.3
75.00754	0.8
78.95798	0.8
81.03357	0.2
83.01283	8.6
84.02078	0.3
84.24532	0.2
85.02846	23.1
85.99992	0.8
86.03204	0.3
87.00779	2.4
89.02344	3.4
95.01288	3.5
97.02854	1.4
98.19748	0.4
99.00786	6.7
99.04391	0.2
101.02350	31.3
102.02689	0.6
106.06540	2.4
110.42602	0.1
110.86101	0.1
111.00796	3.6
113.02360	16.9
114.02691	0.5
119.03409	0.7
119.04929	0.3
125.02377	1.2
129.01854	1.1
131.03471	0.3
133.02866	0.6
134.03665	0.2
135.04448	0.7
141.01875	0.6
141.12767	0.3
143.03456	1.7
143.10732	0.2
145.02937	0.2
150.05540	2.5
152.99474	0.3
157.12315	0.6
159.01631	0.3
159.02945	4.3
160.01649	0.4
161.02533	1.4
161.04504	15.9
162.04857	0.4
166.72176	0.2
169.12260	0.2
171.16928	0.2
175.03946	0.8
179.03394	0.5
179.05461	0.2
180.40181	0.2
185.64996	0.2
197.15433	0.2
203.03481	0.2
205.03508	0.9
207.10286	0.2
220.42831	0.2
233.24544	0.2
247.24080	0.2
281.24911	0.2
297.24429	0.5
297.27890	0.2
299.23160	0.2
299.26019	2.2
345.30182	12.0
346.30530	1.3
392.12289	1.8
461.20135	0.2
461.30887	0.2
464.22998	0.3
507.35486	100.0
508.21991	1.3
508.35849	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	507.3548
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01770	3.1
57.03342	3.8
57.11054	0.3
58.00479	0.9
59.01265	17.3
61.98708	0.5
69.03353	0.5
71.01269	37.1
71.56953	0.6
72.01603	1.0
72.99195	2.1
73.02835	12.2
74.62132	0.3
75.00749	0.4
78.95792	0.6
79.71801	0.3
83.01277	6.6
84.02056	0.4
85.02841	18.5
85.06511	0.3
86.00001	0.7
87.00757	2.4
88.36628	0.3
89.02345	4.7
95.01289	3.0
97.02825	0.8
99.00777	5.3
101.02345	28.8
102.02689	0.7
111.00791	3.2
113.02357	11.9
114.02677	0.4
115.07574	0.4
118.54628	0.4
119.03405	1.0
119.04908	0.3
125.02328	1.1
129.01855	0.9
133.65742	0.3
135.04462	0.4
143.03404	1.3
159.02934	3.6
160.84152	1.0
161.02341	0.9
161.04495	8.9
162.04890	0.4
179.05675	0.4
205.03506	0.4
211.16968	0.9
251.23837	1.0
297.24429	0.4
299.26013	1.5
345.30145	12.1
346.30438	1.0
401.33328	0.3
472.01624	0.9
507.35461	100.0
508.35818	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	507.2822
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07316	0.2
51.25412	0.3
55.01774	1.0
57.03343	0.6
57.62686	0.3
58.00481	0.3
59.01265	100.0
60.01603	1.1
61.98719	1.3
62.27438	0.2
71.01271	9.0
72.99192	0.6
73.02838	3.0
75.00758	0.3
76.01833	0.2
80.93189	0.2
83.01267	1.8
85.02843	5.1
87.00793	0.5
89.02322	1.5
93.03362	0.5
95.01292	0.8
97.02862	0.5
99.00808	1.2
99.99416	0.2
101.02345	5.9
102.02634	0.3
111.00764	0.4
113.02354	3.4
119.04941	4.3
120.05328	0.7
125.02365	0.3
129.09132	0.7
132.37633	0.3
133.02940	0.5
135.04471	0.6
137.02367	0.8
143.03403	0.4
145.02913	1.2
146.03258	0.7
150.03198	1.9
151.03496	0.7
159.02951	1.1
161.02461	1.4
161.04515	4.8
161.05890	0.6
163.03941	3.5
164.04343	1.0
166.18079	0.2
177.05527	0.4
179.03490	0.3
180.03040	0.4
181.03308	0.3
206.05435	0.3
229.27094	0.3
253.24480	0.3
267.19736	0.3
285.20831	2.2
324.06009	0.3
343.08698	0.7
360.09378	0.4
361.09799	0.6
392.12253	0.4
429.25046	0.4
447.26108	34.9
448.26483	5.2
507.13171	5.1
507.19553	0.6
507.28302	3.2
508.13654	1.0
508.28687	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01004	0.3
58.31478	0.2
59.01254	0.3
70.61344	0.6
73.36697	0.2
75.36848	0.3
78.80878	0.3
78.95790	7.2
92.02641	0.2
96.96855	0.5
108.24496	0.2
112.40015	0.3
130.71608	0.2
152.99521	13.9
164.55943	0.2
171.00558	1.4
181.36371	0.3
199.47429	0.2
212.05452	0.3
227.03279	2.7
245.04237	1.8
261.22244	0.4
269.56195	0.3
279.23337	100.0
280.23688	10.7
280.26801	0.5
383.94193	0.2
507.27377	31.7
508.27673	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	507.2821
Annotation	Foliasalacioside H
Peak:m/z	Relative Intensity
55.01774	0.9
57.03336	0.7
58.00479	0.4
58.29081	0.2
58.63434	0.2
59.01266	83.4
60.01588	1.0
60.99188	0.3
61.98723	0.9
68.99747	0.2
69.03351	0.2
71.01270	9.8
72.99182	0.2
73.02834	4.1
75.00753	0.3
83.01266	2.2
85.02843	6.3
85.99989	0.5
87.00755	1.0
88.98723	0.5
89.02331	1.5
95.01276	0.9
96.95919	0.7
97.02870	0.7
99.00795	1.7
101.02350	8.3
111.00797	0.6
113.02357	4.7
115.03955	0.3
119.03428	0.3
119.04929	0.2
125.02354	0.8
125.03255	0.2
129.09151	0.5
133.02887	0.8
135.04427	1.1
135.91153	0.2
139.00270	0.2
142.70729	0.2
143.03471	0.6
149.06064	0.2
150.03181	0.3
159.02962	0.6
161.02400	2.9
161.04459	1.7
179.03444	0.6
180.03217	0.2
223.17088	0.2
243.19682	1.4
266.20166	0.2
285.20703	0.2
387.23944	0.7
392.12265	0.4
405.25140	1.5
429.24875	0.4
447.26181	2.5
448.26410	0.3
465.27170	2.1
466.27383	0.3
489.27194	2.9
490.27640	0.6
507.28192	100.0
508.28531	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	507.2462
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26722	0.7
55.01751	1.9
55.70919	0.6
57.03318	1.7
59.01266	75.5
60.01575	1.3
61.98719	4.9
63.04342	0.7
63.87470	0.7
69.35856	0.7
71.01273	33.6
71.34692	0.8
72.99178	1.0
73.02840	15.7
75.00742	1.2
83.01292	4.5
83.08482	0.7
85.02844	15.3
87.00729	3.0
88.98682	0.9
89.01839	0.7
89.02343	12.0
95.01251	2.2
97.02821	2.1
99.00784	5.7
101.02351	24.7
113.02356	18.8
115.03847	0.9
119.03411	1.7
119.04898	2.5
121.02822	0.9
125.02328	1.5
131.03365	1.5
133.02789	2.7
135.04454	6.5
137.02310	1.3
143.03363	2.1
146.03171	0.9
149.04422	1.8
149.05920	1.3
150.03033	0.8
159.03008	3.7
161.02419	14.2
161.04501	16.8
163.03871	1.5
177.05399	2.5
179.03494	7.2
191.05403	0.8
195.06541	0.9
206.39828	0.8
221.04523	3.8
251.05623	3.7
281.06714	5.0
307.28455	0.7
309.94839	0.7
315.18167	11.9
316.18353	1.5
341.08554	2.9
361.09595	1.0
369.20612	0.8
392.12268	5.3
440.59436	1.0
447.21970	100.0
448.22366	12.7
507.12329	1.3
507.18594	2.9
507.27963	2.0
508.18796	1.0
508.27130	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2459
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	2.9
57.03336	3.1
58.79498	1.3
59.01267	32.6
59.82545	1.3
60.84444	1.2
61.98721	7.0
71.00894	3.0
71.01269	40.4
71.59298	1.9
72.01586	2.6
72.99206	2.4
73.02837	18.2
75.00780	1.6
80.28627	1.3
80.50422	1.3
82.36491	1.3
83.01275	3.9
85.02852	18.5
87.00783	1.5
89.02339	9.6
95.01295	2.2
97.02833	2.6
99.00789	9.7
101.02350	27.9
102.02697	2.3
113.02354	17.7
114.02680	2.3
115.58372	1.3
119.03443	2.0
119.04928	6.3
125.02371	2.2
131.03447	1.7
133.02910	2.4
135.04453	5.4
137.02426	1.6
137.09607	1.6
149.02393	1.5
159.02925	2.2
160.01591	1.5
161.02422	9.7
161.04506	13.8
163.03954	3.7
175.03996	2.1
177.01888	4.9
178.02173	2.3
179.03560	2.5
271.97787	1.6
315.18375	7.0
384.12924	2.0
393.24588	1.6
447.22406	100.0
448.22842	14.5
506.34323	9.8
507.19492	5.0
507.27747	1.8
507.34595	19.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2459
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01770	1.6
57.03332	1.9
59.01265	21.8
61.98716	15.5
69.03360	0.8
69.94027	2.7
71.01272	38.5
72.01598	1.1
72.99193	1.5
73.02834	14.3
75.00770	1.0
75.43298	0.5
80.39323	0.6
81.03340	0.6
83.01276	4.2
85.02839	15.5
87.00773	2.0
89.02335	11.5
93.03334	0.7
95.01290	2.5
97.02850	1.0
99.00783	8.5
101.02349	23.0
113.02360	14.1
115.03950	1.2
118.68052	0.6
119.03426	2.1
125.02361	2.5
129.01843	0.7
131.03409	1.6
133.02890	1.7
133.91441	0.6
135.04472	9.3
137.02406	0.6
143.03436	1.1
145.02881	0.8
149.04489	1.3
159.02925	2.2
161.02449	4.5
161.04500	12.1
162.02792	0.8
177.01837	0.7
179.03491	7.4
180.03870	0.9
191.05574	1.0
211.89043	0.6
233.06781	0.7
315.18195	12.2
316.18576	0.6
392.12354	2.0
392.62372	1.1
444.14069	3.1
447.22437	100.0
448.22757	12.7
507.18753	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2459
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01767	2.9
57.03337	4.1
58.00470	1.7
59.01266	56.8
60.55164	1.4
61.98713	8.1
71.01271	61.9
71.01668	3.1
71.57517	1.5
72.99200	3.5
73.02830	18.2
83.01280	6.3
85.02846	23.6
87.00766	4.4
87.68494	1.4
88.98684	1.8
89.02338	38.6
91.75715	1.6
95.01289	4.1
95.91606	1.6
97.02825	2.4
99.00769	6.2
101.01697	2.8
101.02348	44.2
102.02678	2.3
113.02352	20.9
119.03421	14.7
119.04945	6.9
125.02372	2.7
131.02574	1.6
131.03421	8.4
132.02092	5.4
133.02887	10.9
134.03639	6.1
135.04460	23.6
137.02332	3.8
143.03404	4.0
149.04472	7.3
149.05968	3.2
159.02908	3.0
160.01608	36.5
161.02411	24.8
161.04485	16.5
175.03964	44.7
176.04381	1.9
179.03490	16.3
179.05516	5.8
190.44188	1.6
191.05597	9.6
193.05016	5.6
203.03407	2.0
203.10770	2.1
221.04498	2.3
233.06700	5.6
311.09863	2.2
315.18173	21.4
316.18607	1.8
344.13202	1.9
392.12231	42.9
392.62350	12.0
427.25479	2.4
444.13516	1.6
447.22430	100.0
448.22775	13.5
507.22711	38.1
507.34406	4.9
508.23303	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	507.1631
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00504	0.2
59.01266	4.0
61.98721	1.7
71.01281	1.4
72.99203	0.3
73.02809	0.2
84.04453	0.4
85.02843	0.7
86.02392	0.2
89.02354	0.6
94.02877	0.3
94.06572	0.2
94.65298	0.2
95.03684	0.9
96.04502	0.2
96.08099	0.3
98.19794	0.3
99.79081	0.2
101.02363	0.8
104.04964	0.5
106.06534	1.6
108.04467	0.4
112.03980	0.6
113.02372	0.4
119.04969	0.4
120.01192	0.6
122.06048	1.4
123.03189	0.4
123.06862	0.2
124.07601	3.7
125.07969	0.2
132.04482	23.4
133.05280	12.9
134.06079	3.5
135.04424	0.2
138.05566	0.5
140.42352	0.2
146.02429	0.3
148.03981	1.0
150.03149	0.2
150.05534	1.2
160.07576	0.2
161.02405	0.3
165.04269	13.5
166.04623	0.7
176.03542	1.1
176.07111	0.7
177.04286	2.8
178.05049	1.0
184.07639	0.3
185.08450	0.5
186.09233	1.7
198.09262	0.8
209.03285	4.0
210.03577	0.3
212.10944	0.2
213.06711	1.2
214.12379	3.8
215.11862	4.6
225.06638	0.3
226.07425	0.3
227.08296	0.8
228.05440	0.4
229.09790	2.7
239.08305	0.3
239.11926	0.4
240.08791	0.7
240.10378	1.0
241.09831	2.5
253.06117	0.2
255.11447	0.8
257.12991	17.5
258.13364	1.4
265.09744	0.2
268.08676	0.3
272.07986	0.4
273.08902	0.5
283.10934	8.3
284.11285	0.7
289.63104	0.2
301.12006	10.4
302.12329	1.1
325.09341	0.2
327.09909	1.2
345.10980	100.0
346.11313	10.8
346.15317	0.2
387.12067	0.5
392.25745	0.3
469.43481	0.2
507.16257	10.2
508.16385	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1518
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87816	0.9
55.01775	2.0
57.03336	1.9
59.01267	22.4
61.40689	0.9
61.98724	1.1
63.12041	0.9
65.95203	0.9
67.01793	1.0
69.03347	39.3
69.34645	1.9
69.35046	8.8
70.03687	1.2
71.01273	24.5
72.01617	1.4
72.99203	1.5
73.02839	8.0
78.95784	1.5
79.01774	10.0
81.03365	3.4
81.18604	0.9
83.01269	2.9
85.02845	15.1
86.03214	1.2
87.00766	1.5
88.18300	0.9
89.02337	5.5
95.01290	5.9
96.28943	1.1
97.02859	26.8
98.19780	1.9
99.00765	2.8
101.02352	16.0
101.79730	1.0
106.06499	1.4
107.01295	27.8
108.02100	21.7
109.02917	2.1
113.02370	9.7
119.03455	2.5
121.02894	1.1
123.00813	10.1
123.04465	1.1
125.02370	66.2
126.02684	2.7
129.01823	1.2
135.00812	69.5
135.04442	4.9
136.01292	1.5
137.02370	1.6
149.02371	1.2
151.00313	45.8
152.01100	66.0
153.01883	9.0
159.02911	2.0
161.02414	2.8
161.04482	7.4
163.03961	3.5
169.47278	1.0
171.10301	1.3
177.01942	3.4
179.03511	2.2
179.07103	1.4
197.06088	2.0
242.05878	43.6
243.06653	100.0
244.07074	8.9
267.09616	1.2
285.07822	2.4
286.08054	1.0
327.21814	1.4
339.07397	3.1
344.29034	1.7
345.30066	5.9
357.08319	3.1
381.54611	1.1
409.35742	1.0
425.19064	2.6
447.13068	76.5
448.13388	12.3
506.34058	12.8
507.15927	1.8
507.35382	43.9
508.35776	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	506.1526
Annotation	Herbicidin G
Peak:m/z	Relative Intensity
51.75202	0.4
52.99540	0.5
57.48043	0.5
59.01262	6.4
70.59074	0.4
71.01264	3.9
71.11855	1.0
71.12196	0.5
72.99200	0.7
73.02838	4.1
78.95360	0.5
83.01270	0.7
85.02844	1.9
87.00772	3.8
87.04401	1.5
89.02341	2.3
101.02362	2.2
103.03926	1.1
111.38709	0.5
113.02341	1.5
115.03910	3.0
119.03396	0.8
122.02401	0.5
122.03605	0.6
131.03450	2.6
134.02402	1.9
143.03421	2.9
145.05013	0.7
149.02542	0.5
150.01926	1.4
150.03137	11.6
162.01892	2.0
163.06058	1.0
180.02959	3.2
205.07143	1.9
222.80302	0.5
227.97725	0.5
360.09418	1.4
361.10095	0.6
506.15256	100.0
507.15576	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	506.1528
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01750	1.6
57.03312	2.0
58.00479	1.9
59.00993	2.6
59.01265	37.3
61.98713	6.9
64.01822	1.8
69.03336	1.8
71.01263	34.7
71.56816	2.6
72.99189	4.7
73.02833	11.5
76.74511	1.6
83.01280	2.0
85.02818	9.1
87.00763	10.9
87.04400	2.3
89.02339	28.7
96.06409	1.9
97.02876	3.9
99.00794	2.5
101.02349	13.6
103.03872	2.6
113.02377	9.0
115.03912	4.3
119.03420	3.5
120.76324	1.7
121.02859	2.1
125.02359	12.0
128.38419	1.7
131.03429	13.0
134.02312	2.4
137.02332	3.4
143.03418	5.6
149.04497	9.0
150.01964	3.7
150.03154	23.2
151.03687	2.3
161.04527	4.5
162.01927	4.5
174.27568	1.5
180.02972	4.3
191.05695	2.2
233.06706	1.8
235.13220	1.8
246.84630	1.7
256.10648	1.9
293.08850	55.0
293.12122	3.2
294.09128	5.4
301.16693	3.3
310.09094	2.0
340.08893	55.8
341.09116	3.9
345.15475	10.9
360.09543	2.4
378.29144	1.8
468.05493	1.8
506.15240	100.0
507.15628	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	506.1525
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	6.6
61.98718	100.0
62.98428	0.3
68.72231	0.3
69.86343	1.7
71.01261	2.2
73.02841	0.7
75.62567	0.3
83.01241	0.3
85.02854	0.9
87.00785	0.8
89.02351	1.3
98.19888	0.5
101.02349	0.9
113.02419	0.6
119.03419	0.3
124.01591	0.3
135.04465	1.1
137.02342	0.4
143.03455	0.5
148.04094	0.6
149.06010	1.2
150.03160	1.3
151.03958	0.3
161.02408	1.3
177.05592	0.3
179.03419	0.8
281.06720	0.4
331.17789	0.4
341.08780	0.5
344.12207	0.6
444.30927	0.3
446.21365	0.5
447.26239	1.1
463.21948	0.5
464.22531	2.0
465.22821	0.4
506.15381	6.1
507.18219	1.0
507.28473	0.9
511.86285	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.1317
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01763	0.5
56.63224	0.4
57.03343	0.7
59.01266	10.1
61.98731	1.0
64.01812	2.2
65.99746	2.5
68.17756	0.4
69.26614	4.6
70.12137	0.4
71.01267	7.9
73.02834	2.2
83.01271	1.4
85.02831	5.5
87.00777	0.5
89.02328	1.8
91.28450	0.6
93.03365	2.7
95.01283	2.0
99.00790	0.7
101.02364	3.5
104.21075	0.5
106.02893	1.3
111.00826	0.5
113.02352	6.3
117.03377	4.6
119.04944	29.5
120.05275	1.5
121.02866	1.5
122.02414	2.2
122.03664	2.5
123.03094	0.5
131.04936	0.7
132.05713	0.7
133.02893	0.8
133.06517	3.3
134.02444	3.7
134.03426	0.8
135.04437	1.1
137.02394	0.7
138.03169	0.9
141.90604	0.4
145.02890	22.3
146.03284	0.7
147.04416	0.7
149.02379	1.1
149.06033	0.6
150.01959	2.3
150.03160	31.7
151.03572	1.1
152.03435	0.6
159.04433	1.5
161.02371	2.1
161.04674	0.6
161.06023	8.3
162.01909	3.2
163.02940	1.1
163.03957	30.7
164.03346	0.7
164.04433	0.8
177.05528	7.0
179.02069	0.6
179.03455	0.6
180.02963	6.8
181.03032	0.5
187.03989	7.0
188.04448	0.5
198.04030	1.7
205.05061	9.5
235.06110	1.2
253.91628	0.4
265.07300	0.9
325.09311	2.8
338.09531	0.4
342.08340	12.1
343.08789	0.8
360.09479	9.1
361.09836	0.9
447.26151	1.8
459.13220	2.2
505.26193	0.4
506.13144	100.0
507.13043	13.3
507.19220	2.2
507.28458	1.2
534.35583	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3398
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47062	0.3
55.01566	0.3
55.01772	3.6
55.71128	0.3
57.03341	3.5
58.00475	0.6
59.01267	15.1
61.98714	0.7
69.03338	0.5
71.01270	31.8
71.58992	0.3
72.01617	0.4
72.99199	1.6
73.02840	12.3
75.00760	0.8
83.01279	7.0
83.04184	0.3
85.02844	20.4
85.99979	1.0
86.03199	0.6
87.00761	2.1
89.02332	2.6
93.06992	1.1
95.01293	2.8
97.02844	0.9
99.00779	5.7
101.02349	28.1
102.02658	0.7
102.54053	0.3
111.00788	4.2
113.02356	13.3
119.03400	0.9
125.02364	0.7
129.01857	1.0
131.03473	0.4
135.04463	0.3
141.01857	0.7
143.03397	1.0
143.10728	1.9
145.02908	0.5
148.03943	0.5
149.13255	0.5
157.12282	0.4
159.02959	2.9
161.02399	0.6
161.04492	7.9
162.04823	0.3
168.09488	0.3
211.17024	0.6
213.18579	0.8
265.33282	0.3
297.24402	0.5
305.16095	0.4
313.27515	0.8
325.27594	0.6
331.15588	0.6
343.28592	5.9
344.28979	1.0
375.23981	2.9
376.24615	0.4
469.31937	0.3
475.32706	1.0
487.32709	0.7
488.33545	0.4
503.32394	0.4
505.33951	100.0
506.15604	1.4
506.34265	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	506.1314
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01770	0.6
57.03327	0.8
59.01265	7.8
61.98717	0.3
64.01812	2.6
65.99738	2.8
68.99680	0.2
69.49599	2.1
71.01268	9.0
72.01616	0.4
72.99199	0.7
73.02833	2.7
73.36887	0.3
75.00771	0.4
78.03352	0.3
80.01881	0.2
81.03355	0.2
83.01278	1.3
85.02840	5.6
87.00772	1.2
87.04403	0.3
89.02335	3.3
91.01794	0.3
93.03365	2.8
94.02878	0.8
95.01280	1.8
97.02871	0.5
99.00783	1.0
101.02347	4.2
106.02879	0.9
111.00840	0.3
113.02354	6.5
114.02673	0.3
117.03376	6.4
118.02911	0.4
118.03699	0.3
119.03488	1.0
119.04941	33.3
120.05279	1.4
121.02865	1.5
122.02381	1.8
122.03651	2.2
123.00757	0.3
123.03189	0.7
124.01516	0.4
124.03999	0.4
125.02350	0.6
131.03432	0.4
131.04948	0.7
132.05713	0.8
133.01608	0.3
133.02863	0.8
133.06531	3.3
134.02412	3.6
134.03561	0.5
134.06932	0.4
135.04466	1.6
137.02382	1.4
138.03128	0.8
143.03397	0.6
143.04919	0.3
145.02888	23.7
146.03229	1.4
147.03345	0.3
147.04422	1.5
149.02365	1.6
149.06032	0.9
150.01964	2.4
150.03156	34.3
151.03584	1.5
152.03456	0.6
158.03662	0.4
159.04468	1.9
161.02443	1.6
161.04572	0.8
161.06021	8.0
162.01903	3.1
162.03082	0.3
162.06281	0.6
163.03952	36.5
164.04521	1.6
168.02975	0.3
173.05997	0.5
175.03934	0.4
177.05525	8.8
178.01372	0.3
178.05782	0.4
179.02109	0.7
179.03505	0.6
180.02966	7.7
181.03275	0.4
187.03966	7.9
188.04318	0.5
191.03346	0.3
191.07097	0.6
198.04065	2.2
205.05051	10.6
206.05357	0.5
217.05203	0.3
219.09109	0.3
229.05167	0.4
235.06154	1.4
240.05219	0.3
265.07202	1.0
270.77386	0.3
274.63409	0.3
307.08243	0.5
325.09344	2.7
341.13864	0.3
342.08353	14.2
343.08588	1.1
344.38113	0.3
360.09451	13.7
361.09579	1.1
408.96698	0.3
445.20901	0.9
446.21027	1.7
459.13156	2.2
460.13669	0.4
463.21994	0.6
464.22412	0.8
505.21365	0.6
506.13150	100.0
507.13391	13.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2667
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	3.2
55.32907	0.6
55.63724	0.6
56.16010	0.6
57.03336	4.1
58.00480	3.1
59.01265	100.0
59.29997	0.7
60.01609	1.0
69.03348	1.1
71.01270	66.5
72.01620	0.9
72.99187	3.9
73.02834	31.3
75.00768	6.9
76.26602	0.6
82.20281	0.6
83.01302	5.1
85.02843	28.1
85.03360	1.4
85.99975	0.7
87.00762	4.4
89.02338	61.8
90.02684	0.7
95.01275	5.6
97.02871	3.0
99.00780	88.1
100.01159	1.2
101.02347	33.9
102.02690	0.9
111.00825	0.9
113.02357	47.6
114.02702	1.6
118.46478	0.6
119.03416	9.8
119.04252	0.8
124.01581	11.1
125.02392	5.2
131.03441	14.2
133.02890	0.9
135.04488	0.6
136.09154	0.6
137.02463	0.6
143.03442	7.3
149.04497	45.0
150.04909	1.4
159.02980	2.6
161.02405	2.0
161.04500	26.1
162.04836	1.2
175.22469	0.6
179.05536	3.9
191.05585	36.4
192.05983	1.1
205.07227	4.2
223.41872	0.7
227.12938	0.9
233.06702	11.5
277.14636	2.9
293.08841	5.0
311.09982	1.1
313.16754	1.1
324.87003	0.7
331.17728	6.9
373.18839	2.3
374.19254	1.2
445.20840	15.0
446.21472	1.9
463.21960	49.1
464.22281	5.7
498.53360	0.8
505.26917	58.3
506.15936	0.7
506.27206	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2585
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47071	0.2
56.50634	0.3
59.01259	1.1
71.01290	0.2
71.36086	0.4
72.59098	0.2
78.95795	8.9
80.84653	0.2
96.96883	0.6
120.58228	0.3
147.09258	0.3
152.64406	0.2
152.99525	17.2
165.94762	0.2
171.00688	1.6
194.00780	0.2
227.03275	3.1
233.22745	0.6
245.04340	2.1
259.20532	0.5
275.20215	0.5
277.21777	100.0
278.22119	11.1
469.75159	0.3
505.25845	38.7
506.26096	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	505.2667
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39228	0.2
52.57988	0.2
55.01765	1.0
56.99701	0.3
57.03334	0.9
58.00482	3.1
59.01266	70.4
60.01588	0.6
61.73994	0.2
61.98713	0.4
63.22766	0.2
65.00200	0.3
67.28422	0.2
69.03344	1.3
71.01271	62.7
71.56729	0.5
72.01621	0.8
72.72624	0.2
72.99204	4.2
73.02839	16.5
74.03163	0.6
75.00764	2.4
81.03338	0.2
83.01289	1.8
85.02849	8.2
85.99989	0.3
87.00786	2.6
87.04402	0.3
89.02340	100.0
90.02676	1.6
93.03365	0.7
95.01281	1.7
97.02857	1.6
99.00783	35.4
99.04425	0.5
100.01124	0.7
101.02349	44.5
102.02683	0.9
107.01305	0.3
107.82198	0.3
109.02891	0.6
110.03089	0.2
111.00808	0.3
113.02358	14.2
114.02691	0.4
115.03931	0.8
118.98083	0.2
119.03423	8.2
121.02844	0.5
122.03618	0.4
124.01571	1.2
125.02381	5.6
126.02676	0.3
131.03433	22.7
132.03786	0.6
133.01306	0.3
133.02901	0.5
134.02394	0.3
135.04466	0.8
135.31740	0.2
136.01572	1.1
137.02391	0.6
143.03442	3.3
149.04501	82.3
150.03186	2.0
150.04811	2.1
151.00317	0.9
151.03990	1.2
160.66591	0.2
161.02461	1.7
161.04515	4.6
163.00272	0.4
173.04515	0.6
178.99815	0.5
179.03470	0.6
179.05580	2.2
180.03040	0.4
188.02715	0.2
191.05589	19.7
192.05978	0.9
205.07069	0.4
221.06697	4.4
226.02692	0.3
227.03491	0.5
233.06633	0.5
243.03081	0.9
251.07782	8.7
252.08176	0.5
254.02318	0.4
255.03021	2.4
256.03265	0.3
271.02539	5.9
272.02930	0.7
275.07715	0.4
277.14645	0.5
281.08948	0.3
293.08856	1.6
300.02823	10.6
301.03531	4.5
302.04095	0.4
311.09860	2.4
331.17667	0.9
343.11877	2.0
360.09677	0.4
392.62357	0.3
445.20880	1.2
463.08554	0.3
463.21985	5.7
464.22397	1.0
468.86697	0.3
505.10098	7.9
505.26776	26.7
506.15662	9.4
506.26895	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2307
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01768	3.1
57.03333	4.0
58.00486	1.9
59.01265	100.0
60.01596	1.0
61.62741	0.4
61.98718	59.4
68.99691	0.5
69.03335	2.5
69.45957	2.8
69.46374	1.0
71.01271	52.4
72.01631	0.9
72.99198	2.7
73.02834	20.1
75.00761	12.0
81.03359	1.7
83.01276	6.7
84.02090	0.5
85.02842	28.7
85.99979	0.9
86.03165	0.5
87.00777	11.1
89.02340	35.3
90.02707	0.4
95.01272	4.4
97.02850	4.6
99.00777	11.4
99.04417	1.3
101.02347	38.1
102.02703	0.7
109.02871	1.0
109.06512	0.5
111.00790	1.4
113.02356	23.9
114.02718	0.5
115.03935	1.0
119.03420	11.2
121.02828	0.6
123.00806	1.0
124.01588	23.2
125.02386	9.5
129.01874	1.2
131.03429	3.8
133.02873	1.0
135.04407	2.0
136.01601	8.2
137.02422	3.2
143.03439	9.8
147.57837	0.4
149.04488	3.2
149.05963	1.4
150.03085	0.5
151.03944	11.8
152.04346	0.5
153.01891	0.4
153.09181	1.0
155.03416	0.5
159.02925	2.9
161.02451	2.7
161.04498	12.5
163.03883	0.6
169.12241	0.6
177.05515	0.6
179.03503	0.7
179.05579	1.7
181.04991	0.9
191.05637	0.9
203.05557	0.7
205.07144	6.6
227.12901	1.5
233.06679	2.7
275.07883	0.6
277.14581	3.5
293.08820	0.5
301.03574	0.6
313.16656	3.9
314.17123	0.6
315.14313	0.5
331.17691	23.6
332.18182	2.4
343.07779	0.8
343.11945	15.6
344.12131	1.7
373.18762	6.3
374.18887	0.7
375.16739	1.9
417.18127	0.5
445.20850	24.6
446.21317	3.0
463.21945	98.8
464.22305	13.0
505.11505	1.0
505.22733	12.4
506.15143	2.1
506.23447	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	505.2303
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01771	2.4
57.03337	3.9
58.00481	1.7
59.01265	83.1
60.01612	0.9
61.98717	100.0
62.87418	0.4
68.29013	0.4
69.03338	2.7
71.01270	48.9
71.59075	0.5
72.01617	0.8
72.99203	2.6
73.02836	18.3
74.03181	0.4
75.00763	11.3
81.03350	1.2
83.01273	6.3
85.02842	25.2
85.99988	0.8
86.03188	0.7
87.00774	11.2
87.04430	0.5
89.02338	30.4
90.02686	0.6
93.03384	0.5
95.01297	5.0
97.02856	3.7
99.00783	9.2
99.04421	0.7
101.02348	31.8
102.02684	0.6
104.33004	0.3
104.69680	0.4
108.14105	0.4
109.02853	1.0
109.06509	0.7
111.00807	1.5
113.02357	21.9
114.02711	0.5
115.03915	0.7
119.03424	10.4
121.02900	0.4
123.04474	0.5
124.01587	20.4
125.02392	7.8
128.76010	0.3
129.01848	0.5
131.03423	3.6
133.02905	0.7
135.04471	2.0
136.01585	7.9
137.02397	4.0
143.03435	8.3
149.04497	3.2
149.06020	1.3
150.03154	0.4
150.05579	0.3
151.00339	0.4
151.03954	10.5
152.04265	0.7
153.09186	0.4
159.02975	2.3
159.04169	0.4
161.02469	2.9
161.04503	11.2
163.04015	0.4
169.12308	0.9
179.03429	0.9
179.05597	1.4
181.05118	0.6
191.05544	0.7
205.07185	5.5
227.12930	1.0
233.06680	2.2
234.88992	0.4
254.87337	0.4
277.14542	3.7
293.08939	0.6
300.02817	0.4
313.16660	4.6
314.16962	0.5
331.17688	20.1
332.17993	2.0
343.11935	16.9
343.15277	0.3
344.12112	2.1
373.18704	5.4
374.19073	0.7
375.16452	2.0
411.12173	0.4
445.20880	20.0
446.21307	3.4
463.21954	91.5
464.22272	12.7
464.32434	0.4
505.11548	0.7
505.22522	10.5
506.15427	2.9
506.22543	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2301
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58043	0.4
55.01771	0.7
57.03331	1.0
58.65471	0.4
59.01266	100.0
60.01603	1.1
61.98722	2.8
69.26515	2.2
69.26949	2.6
71.01272	8.2
72.99211	0.5
73.02834	2.8
75.00779	0.4
83.01289	1.1
83.69523	0.4
84.75293	0.4
85.02837	4.5
87.00800	1.3
89.02350	1.7
95.01318	0.9
96.95930	0.4
97.02865	0.5
99.00813	1.3
101.02344	9.0
110.61987	0.4
113.02354	3.3
119.03455	0.9
119.04933	2.9
123.08047	0.4
125.02401	0.9
133.02919	0.5
143.03448	1.5
151.03995	0.5
159.02992	0.4
161.02451	0.9
161.04500	3.6
163.03958	0.6
179.05647	0.6
198.12163	0.4
198.93233	0.4
199.11647	0.4
203.05666	1.1
241.14479	2.7
303.29047	0.5
325.09439	1.4
343.31387	0.4
385.18793	7.0
386.19446	0.7
403.19818	16.6
404.20102	1.8
412.22452	0.4
443.15775	0.5
445.21024	8.4
446.21460	1.2
497.65103	0.4
506.15451	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	505.1941
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02654	0.6
59.01266	88.4
60.01598	1.2
61.98719	4.9
70.53350	0.6
71.01267	4.4
71.56390	1.2
72.99213	0.8
73.02827	2.0
75.00715	0.6
83.01271	1.6
85.02846	2.3
87.00750	1.7
87.04440	0.9
89.02337	2.6
93.03387	1.1
99.00782	1.4
101.02332	4.6
113.02373	2.3
115.00228	0.7
119.03436	1.3
120.01202	1.1
125.02366	1.4
128.06453	0.9
131.03424	1.3
133.02841	1.1
134.02354	0.7
135.04425	2.9
138.03146	0.9
143.03389	0.9
150.02028	1.1
150.03168	4.3
151.03864	2.3
161.02390	13.7
161.04451	1.1
162.02771	0.9
163.05980	0.7
173.04518	0.7
176.04747	9.0
179.03464	20.3
180.02890	0.8
191.05641	1.0
191.07117	4.3
194.05830	24.9
195.06238	1.4
198.04073	3.5
199.04416	1.8
205.07227	1.6
209.08188	100.0
210.08566	5.9
293.08911	0.8
309.01828	0.7
445.17007	1.5
446.17480	0.8
505.15030	2.0
506.15225	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	505.1001
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81956	0.5
59.01265	9.2
61.98718	25.6
63.62689	0.5
64.43011	0.5
65.00216	1.2
69.34774	5.2
71.01264	5.6
72.99196	1.0
73.02827	1.6
82.84055	0.6
83.01265	1.2
85.02841	2.6
87.00765	1.7
89.02360	3.1
92.75925	0.5
95.01276	0.7
98.20585	1.1
99.00790	1.5
101.02356	3.2
105.55756	0.6
107.01320	2.3
108.02078	1.3
108.98987	0.5
109.02884	1.9
111.00821	0.9
113.02358	1.9
116.67142	0.6
119.01336	0.7
119.03398	0.7
121.02860	2.1
123.00816	0.7
123.04444	0.9
124.01594	0.9
125.02364	1.6
133.02879	1.9
135.00777	1.2
135.04471	1.7
137.02380	1.1
143.03453	1.0
145.02905	0.9
147.04440	0.7
148.01611	1.4
148.03967	1.1
149.02440	0.6
149.06042	3.2
150.03186	2.9
150.06348	0.9
151.00331	8.6
151.01532	1.0
151.03940	1.1
153.01901	0.6
153.67435	0.5
159.25609	0.6
160.03984	0.8
161.02373	2.7
161.04523	1.3
162.94807	0.6
163.00352	3.5
163.03995	0.6
164.04648	0.7
165.05533	0.9
171.04457	0.6
174.03239	0.6
175.03975	1.0
178.99841	4.8
179.03461	1.8
182.92285	0.6
197.04562	0.8
197.08167	2.4
199.04021	1.7
203.03604	0.8
211.03973	1.2
215.03325	0.7
226.02730	4.3
227.03474	4.3
243.00502	1.0
243.03026	18.0
244.03470	1.6
245.04547	1.0
254.02272	4.7
255.03035	25.7
256.03430	1.7
271.02539	81.0
272.03015	9.7
273.04193	0.8
283.02536	1.1
299.02014	1.7
300.02817	100.0
301.03519	42.0
302.04056	2.8
331.17767	0.9
345.11160	0.9
441.20935	0.6
445.07721	0.7
445.20599	0.8
463.08908	3.2
463.21750	3.3
505.09985	98.0
505.25745	3.8
506.10162	10.2
506.15594	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	504.311
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00500	0.0
59.01266	0.5
71.01269	0.1
71.58858	0.1
78.95796	6.3
83.04911	0.1
96.96856	0.1
97.06489	0.0
131.13655	0.0
151.01563	0.0
152.99548	0.9
168.04280	1.7
169.04485	0.0
171.00587	0.1
193.25175	0.0
194.05939	0.0
194.85388	0.0
224.06943	1.1
225.07552	0.0
225.64613	0.0
227.03346	0.0
242.08028	2.8
243.08282	0.1
261.22308	0.4
262.22623	0.1
277.21808	1.1
279.23343	100.0
280.23676	10.9
504.31079	11.2
505.25470	0.5
505.31451	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2429
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16055	0.5
71.12778	0.9
71.13132	0.5
78.95790	36.8
79.43766	0.5
80.28294	0.4
82.19777	0.5
96.96855	2.7
116.02203	0.5
148.31618	0.6
150.97900	0.7
152.99527	54.6
153.99893	1.1
162.52609	0.5
171.00591	18.5
227.03264	2.3
231.21204	29.0
232.21625	3.6
245.04343	100.0
246.04686	3.8
270.23279	0.5
275.20221	45.5
276.20584	5.9
483.76923	0.6
503.24261	31.4
504.24673	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	504.1376
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03336	0.4
59.01267	4.3
59.71615	0.2
61.98713	1.4
64.01821	0.5
65.99742	2.5
68.99693	1.1
69.56665	0.5
69.57079	1.3
71.01267	2.3
72.99183	0.6
73.02847	1.3
74.02357	0.3
75.00760	0.7
78.03391	0.3
83.01290	1.0
85.02845	1.3
87.00787	0.8
89.02344	0.9
94.02877	0.8
95.01278	0.5
97.02861	0.3
98.19823	0.5
99.00784	2.4
101.02348	1.9
106.02900	0.3
107.01268	0.6
109.02829	0.3
111.00803	2.1
113.02357	1.3
116.92770	3.6
117.01846	0.3
117.92764	2.4
118.01365	0.4
118.92596	0.4
119.03492	0.4
122.02390	2.1
123.00806	0.5
125.02370	0.3
129.01872	1.5
134.02361	0.4
135.04448	0.4
137.02386	2.2
138.03159	15.5
139.03519	0.4
141.01863	0.6
149.02382	0.5
150.02075	1.0
150.03168	26.2
151.03520	1.2
152.01134	0.3
159.02911	1.6
161.02402	0.4
168.02975	0.9
182.02197	3.3
191.05557	0.3
196.02512	2.5
197.04539	3.4
198.04060	100.0
199.04410	4.9
206.08240	0.3
224.05807	0.5
275.32181	0.2
310.05551	0.6
322.05774	0.9
340.06836	3.7
400.63293	0.2
401.29355	0.3
504.13712	21.0
505.14508	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	503.2149
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08529	1.2
55.01775	3.8
57.03341	6.8
58.00492	2.3
59.01266	53.9
61.98717	15.9
69.82961	7.8
71.01270	56.3
72.99195	3.0
73.02833	21.5
77.57502	1.2
78.95806	3.6
83.01271	9.8
85.02845	32.3
87.00784	7.1
89.02342	12.9
95.01286	5.1
99.00790	8.0
99.04414	1.5
101.01700	2.8
101.02349	46.7
113.02362	28.0
119.03394	2.3
119.04911	5.8
121.02870	3.6
125.02369	5.1
131.03391	2.0
133.02887	8.9
134.03618	2.1
134.06000	1.3
135.04462	21.0
136.98518	1.3
137.02351	1.5
139.00351	1.6
143.03415	3.8
145.02890	2.7
147.04381	1.3
147.97426	1.4
149.04486	2.3
149.05981	3.2
159.02893	4.1
160.01599	1.5
161.02402	32.6
161.04474	26.0
162.02795	3.8
163.03951	5.3
165.56676	1.1
175.03955	2.0
178.06320	4.4
179.03481	13.4
179.05077	1.3
179.05676	1.7
179.07030	6.7
179.60797	1.4
180.02493	3.0
191.12206	1.3
193.08678	5.7
195.04865	2.5
203.03535	2.5
299.09229	8.9
301.31210	1.4
311.15057	100.0
312.15414	9.1
320.05020	1.2
323.07715	4.3
333.58972	1.4
371.20377	1.9
392.12302	5.0
443.19293	77.8
444.19604	10.6
454.11694	1.7
503.15326	12.5
503.24457	6.0
503.33014	1.6
504.16388	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1783
Annotation	Coniferinoside
Peak:m/z	Relative Intensity
51.02277	0.3
51.87220	0.3
57.03310	0.4
59.01263	13.0
61.98709	0.4
65.35717	0.3
67.01768	0.3
71.01270	4.0
71.60073	0.4
72.99192	0.5
73.02843	1.9
74.02357	0.4
83.01279	0.7
85.02840	1.7
86.14725	0.3
87.00774	0.8
89.02360	1.4
93.03358	1.0
99.00771	0.8
101.02354	2.3
113.02350	1.3
116.03463	0.6
116.92777	0.5
119.03426	0.7
119.04906	0.3
125.02393	0.5
133.02859	1.0
135.04466	1.5
137.02364	0.7
143.03404	0.6
149.04524	0.5
161.02388	2.3
161.04492	1.7
163.03961	0.6
164.04735	77.8
165.05078	3.9
166.05042	0.4
173.04616	0.4
179.07095	100.0
180.07434	5.5
181.08653	0.5
182.58865	0.3
191.05597	1.3
198.12106	0.3
205.07274	0.3
208.07335	1.8
223.09781	1.9
227.07047	0.5
228.07368	0.3
269.10382	1.8
311.11517	0.8
326.31339	0.3
341.12479	28.7
342.12839	2.7
400.12674	1.7
401.14429	1.3
411.16608	0.5
422.11951	0.4
443.15659	2.2
502.63852	0.6
503.13654	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.142
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01259	5.1
70.41998	0.8
71.01263	3.5
71.49729	1.1
71.50068	0.6
72.99194	5.0
75.00748	1.1
82.17738	0.7
85.02919	0.6
89.02355	2.3
101.02348	0.8
113.02356	1.7
117.03371	1.8
119.03429	0.7
121.02840	1.3
132.02097	2.6
133.02882	24.3
134.03510	0.8
135.04449	26.2
136.04796	1.2
137.02356	0.8
148.48872	0.6
149.02426	3.3
149.06012	1.9
150.02740	0.6
160.01584	3.5
161.02391	100.0
162.02707	5.2
172.74751	0.7
177.05527	2.4
179.03462	38.4
180.03787	2.3
203.03511	2.4
221.04509	2.1
245.48701	0.7
281.06699	0.9
323.07791	8.0
341.08841	66.3
342.09161	5.1
365.08749	0.7
383.09695	0.7
455.11835	0.7
503.14114	23.8
504.14725	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	503.1571
Annotation	Dracunculifoside K
Peak:m/z	Relative Intensity
50.74995	0.3
52.83529	0.2
55.01789	0.3
59.01267	9.7
60.01612	0.4
61.85619	0.2
61.98707	0.7
70.15687	1.2
71.01273	6.4
72.99189	0.6
73.02844	1.3
78.95807	0.8
81.03375	0.3
83.01287	0.8
83.04943	0.3
85.02843	2.5
87.00771	0.4
89.02348	2.6
93.03369	0.3
95.01314	0.3
96.96850	0.6
98.19881	0.4
99.00791	0.9
101.02349	3.2
105.03346	0.3
109.02860	0.4
113.02367	3.0
115.01830	0.3
117.03378	0.9
119.03410	0.7
121.02839	0.3
125.02372	0.4
131.03404	0.5
132.02138	1.2
133.02881	28.2
134.03593	1.2
135.04453	16.5
136.04807	0.5
137.02419	1.4
139.03918	0.4
143.03430	0.6
145.02875	0.7
147.04413	0.3
148.05205	0.3
149.06000	0.8
153.86198	0.3
159.04466	0.4
160.01546	0.4
161.02396	100.0
162.02744	4.9
163.03963	1.1
164.04742	61.0
165.05118	3.0
175.03943	0.7
177.05507	1.8
179.03503	11.0
179.07097	37.2
180.03778	0.6
180.07401	1.8
203.03557	0.9
220.03763	0.3
221.04570	2.9
227.07387	0.3
232.89961	0.3
251.05592	0.4
256.06451	0.3
263.05771	0.5
275.78134	0.3
280.05902	0.5
315.18228	1.1
323.07785	31.7
324.08215	2.5
327.10806	0.4
337.09344	0.4
341.12503	4.1
461.23975	5.5
467.32336	0.6
485.31775	0.3
503.15741	33.2
503.31583	1.3
504.16049	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	501.1986
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01768	1.5
57.03334	1.6
58.00478	3.1
59.01267	100.0
60.01593	1.0
62.71938	1.0
69.03354	5.7
71.01270	53.8
72.99191	7.6
73.02841	23.4
81.03356	4.1
83.01271	6.2
85.02846	18.8
87.00786	3.8
89.02336	31.1
95.01298	1.7
97.02862	9.3
98.19746	2.4
99.00787	2.7
101.02354	40.2
103.03916	34.2
109.02892	1.6
113.02354	3.3
115.03915	1.8
119.03410	18.4
122.60021	1.0
125.02370	42.6
127.03954	5.0
131.03378	1.2
132.05727	1.6
133.06528	43.2
134.06870	1.7
135.04477	1.5
143.03427	4.5
145.05013	6.6
149.05986	2.6
159.75458	1.0
161.02396	2.7
163.06071	39.6
164.06441	1.7
177.05519	11.7
205.07135	2.5
209.96361	1.2
229.65176	1.3
229.69235	1.7
247.08290	10.8
289.09476	3.2
298.11203	1.5
307.10437	57.3
308.10760	3.5
323.07770	1.6
339.10898	3.1
401.76038	1.1
501.14246	1.8
501.23700	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	501.2717
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01773	0.4
57.03330	0.5
59.01265	100.0
60.01600	1.0
69.71235	1.1
69.71669	1.1
71.01273	7.4
71.35477	0.3
73.02839	3.4
80.01472	0.3
83.01293	1.2
85.02837	3.9
88.98717	0.4
89.02345	0.6
95.01301	0.5
96.00883	0.4
97.02877	0.4
99.00797	1.4
101.02346	7.7
113.02342	3.1
113.02952	0.3
125.02346	0.3
159.02975	0.7
161.04498	2.1
197.20398	0.3
237.18529	0.4
375.34094	0.4
381.22891	6.4
382.23471	1.0
399.23981	24.5
400.24286	3.4
430.61014	0.3
441.25067	11.5
442.25266	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	501.2718
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05950	0.1
59.01266	100.0
60.01604	1.0
64.64590	0.2
71.01271	1.7
71.29891	0.4
73.02840	0.6
83.01265	0.3
85.02846	0.8
91.12372	0.2
93.90002	0.2
101.02322	1.1
101.90575	0.1
105.65846	0.1
113.02357	0.5
116.50597	0.2
152.99524	0.3
161.04468	0.8
234.98174	0.2
237.74547	0.2
381.22992	0.4
399.23889	2.3
400.24731	0.3
441.25055	1.2
501.31219	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.2954
Annotation	Unknow
Peak:m/z	Relative Intensity
56.80598	0.0
59.01265	1.2
59.98405	0.0
69.41199	0.3
69.41610	0.1
71.01257	0.3
78.75522	0.0
78.95794	7.6
83.04911	0.2
96.96843	0.1
97.06477	0.1
99.04436	0.0
102.48335	0.0
113.05981	0.1
117.75859	0.0
119.65691	0.0
127.07536	0.2
141.09146	0.1
152.99524	0.7
168.04262	2.1
171.00615	0.1
182.13205	0.1
191.10596	0.1
198.18214	0.0
203.17873	0.1
204.14507	0.0
205.19641	0.2
224.06932	1.4
233.22859	0.3
241.42511	0.0
242.08018	3.5
243.08342	0.2
259.20660	0.5
260.20819	0.0
275.20148	0.4
276.20599	0.1
277.21774	100.0
278.22113	10.1
502.29507	10.7
503.29858	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	499.2922
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	86.5
70.08746	13.6
71.01253	4.5
88.02841	2.2
89.02345	4.1
101.02361	5.1
110.30492	2.7
113.02339	5.9
117.03391	12.3
119.04929	26.3
120.05288	3.5
121.02871	3.3
145.02879	62.0
146.03223	9.1
147.03374	2.8
153.69832	2.8
161.04466	4.1
163.03976	27.2
179.51033	2.7
209.52872	2.6
211.92891	3.2
237.44968	2.5
239.14532	2.7
257.15536	3.7
271.22775	4.1
277.21765	84.7
278.22125	10.1
291.23431	10.2
297.14963	17.3
301.14444	6.6
314.14890	2.8
315.16071	4.0
319.22787	4.1
335.55063	3.3
411.29883	2.7
455.27475	4.0
461.19766	100.0
461.26276	5.1
462.20111	19.7
463.20294	19.8
499.27106	20.5
500.27505	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.3288
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53531	0.5
59.01265	100.0
60.01600	0.9
63.87078	0.5
64.53084	0.5
71.57351	0.4
71.57762	0.5
91.03909	1.9
97.79250	0.5
113.02376	0.7
119.04972	1.1
119.72054	0.5
159.04489	0.5
159.52173	0.5
163.03975	1.9
166.66824	0.5
197.92876	0.5
199.13397	0.6
214.50333	0.6
227.46101	0.5
257.15585	0.8
277.21863	2.2
319.22739	0.8
347.26065	1.9
365.27017	8.6
366.27560	2.1
461.20233	0.9
497.24234	0.6
499.27179	1.5
500.27448	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.256
Annotation	Unknow
Peak:m/z	Relative Intensity
57.55664	0.4
57.96028	0.5
59.01266	100.0
60.01593	1.0
61.98715	0.9
67.55098	0.4
68.49754	0.5
69.75295	0.4
71.01279	1.8
71.59882	0.7
73.02834	0.5
78.95803	1.6
85.02857	1.2
85.57386	0.5
89.02353	0.8
96.95921	0.9
98.67632	0.6
101.02362	1.6
113.02370	0.7
116.74828	0.5
120.49597	0.5
135.04465	0.7
140.45786	0.4
152.99536	1.8
155.00107	0.6
155.78023	0.5
161.02403	1.0
191.05612	2.5
236.95888	0.4
372.89035	0.5
499.29224	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	499.2924
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00479	1.2
59.01263	87.0
60.01582	1.7
71.01263	7.9
71.25522	0.9
71.58955	1.1
72.99185	1.1
73.02830	5.0
74.11436	1.0
77.65701	1.0
79.40289	1.0
84.72266	1.1
85.02879	2.5
89.02346	2.8
95.01274	1.1
101.02345	2.8
105.95125	1.0
113.02356	7.1
117.03391	3.3
119.03436	2.6
119.04910	5.9
121.02866	1.8
123.04433	1.9
143.44125	0.9
145.02879	11.1
146.03291	1.2
161.04512	2.6
163.03986	7.1
248.83250	0.9
273.22345	3.7
277.21783	100.0
278.22156	10.5
291.20099	1.3
291.23367	22.0
292.23840	3.1
297.14954	2.0
301.14499	3.1
301.21823	3.1
315.16150	2.6
319.22842	7.1
349.23853	1.0
386.95715	1.2
461.19846	18.7
462.19742	2.4
463.20450	3.9
499.26706	5.4
500.27304	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	497.2898
Annotation	Sodwanone G
Peak:m/z	Relative Intensity
61.68219	0.3
61.77719	0.4
64.79250	0.4
70.72665	1.0
70.73042	0.6
73.60545	0.4
78.95794	5.9
81.63958	0.4
88.37263	0.4
95.13519	0.4
96.96857	0.9
107.82451	0.4
120.67617	0.4
152.98325	0.8
152.99532	13.6
171.00557	1.2
227.03333	3.0
243.14734	0.4
245.04356	1.6
269.24911	100.0
270.25272	10.4
389.84497	0.4
416.67102	0.4
497.28970	33.1
498.29291	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	499.1833
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39801	0.1
55.01785	0.1
57.03328	0.1
58.00487	0.4
59.01265	11.7
60.01628	0.1
61.98717	1.3
66.12960	0.1
68.95840	0.1
71.01271	3.0
72.99204	0.3
73.02840	2.1
75.00742	0.1
81.03336	0.2
83.01289	0.4
85.02849	1.8
87.00788	0.3
89.02338	1.9
91.19147	0.1
95.01289	0.1
97.02870	0.3
99.00803	0.3
99.04468	0.1
101.02344	3.0
103.03923	1.4
107.29624	0.1
108.02084	0.4
109.02847	0.1
113.02369	0.7
119.03406	0.7
119.04915	0.1
120.72395	0.1
121.06532	0.1
122.03655	0.8
125.02377	0.7
127.03921	0.2
131.03406	0.3
131.04903	0.2
133.02846	0.1
133.06532	0.6
134.03671	0.2
135.04449	0.2
137.02441	0.2
143.03435	0.5
145.02870	0.7
145.04971	0.2
147.04460	2.2
148.05244	6.3
149.06021	100.0
150.06355	5.1
161.02411	0.2
161.04498	0.3
161.05891	0.1
163.04005	0.2
163.06076	0.3
163.07565	2.5
164.07841	0.1
167.03453	0.3
173.04532	0.2
175.03978	0.1
191.05638	0.2
191.07130	0.7
205.07123	0.2
215.07236	0.2
233.06488	0.5
271.06485	0.1
275.07401	0.7
293.08990	2.3
294.10727	0.1
311.11462	0.7
335.10571	0.1
341.26517	0.1
353.12491	3.0
354.12903	0.3
436.72604	0.1
439.16122	1.6
440.16599	0.2
457.17264	6.7
458.17493	0.8
461.14651	0.4
476.11206	0.1
499.18259	11.1
500.18661	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	497.2614
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	2.5
57.03322	3.0
58.00478	1.5
59.01265	100.0
60.01588	1.8
61.98710	4.1
69.36643	1.0
69.36944	10.9
71.01273	32.1
71.59508	1.1
72.99187	2.4
73.02835	8.4
75.00763	8.5
83.01266	3.8
84.05755	1.0
85.02852	10.0
87.00779	10.5
89.02341	10.8
95.01281	1.4
99.00787	8.8
100.29469	1.0
101.02341	20.6
107.18810	1.1
109.06484	1.2
111.00787	1.5
113.02361	11.8
119.03419	4.4
125.02344	3.4
128.12642	1.0
133.02887	1.3
135.04428	3.8
143.03415	1.6
149.05992	2.6
159.02882	2.0
161.02388	6.1
161.04492	4.8
173.08253	2.1
175.03822	1.1
179.03410	1.5
186.99837	1.1
187.09750	4.1
201.11299	4.1
203.03505	1.3
225.14064	1.2
227.12909	2.3
243.19632	3.4
254.11766	1.4
257.17792	1.5
285.20792	1.5
299.18649	7.2
302.20325	1.1
303.21881	14.1
304.22086	1.5
317.19595	1.5
333.58881	1.4
379.16281	1.9
449.24377	2.4
461.23770	3.4
463.25439	8.8
479.25098	10.5
480.25388	3.6
497.20111	1.9
497.26239	33.5
498.19678	1.2
498.26730	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	497.1745
Annotation	Unknow
Peak:m/z	Relative Intensity
71.59416	0.8
78.95805	1.4
87.00759	0.6
89.86265	0.4
111.27586	0.4
117.03375	10.4
119.04942	14.5
120.05244	0.8
121.02888	2.2
123.04453	0.8
133.02899	0.7
136.33022	0.4
145.02888	58.6
146.03226	3.0
149.84138	0.4
152.99521	1.6
162.03168	1.1
163.03957	18.3
164.04314	1.0
171.00563	0.9
185.75516	0.4
189.05568	1.3
217.08517	0.4
236.07626	0.4
269.11905	2.0
297.15009	14.9
297.18362	0.8
298.15485	2.1
300.45294	0.5
315.16061	1.5
354.41019	0.5
461.19797	100.0
462.20163	18.6
462.26819	0.6
497.25836	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2534
Annotation	12,13-Deoxyroridin E
Peak:m/z	Relative Intensity
55.01778	0.5
57.03333	0.8
59.01260	3.0
61.98719	1.9
64.23643	0.4
71.01266	0.5
71.04905	7.5
71.58611	0.4
71.59073	0.4
78.95795	6.6
83.04910	1.5
96.96884	0.8
99.00773	0.7
105.06485	0.4
105.93217	0.4
116.51221	0.4
117.03356	0.7
121.02925	0.6
131.25095	0.4
137.02382	0.4
145.02852	2.0
152.99515	8.9
171.00552	1.3
193.67006	0.4
195.17557	1.1
197.19095	16.3
198.19420	1.2
199.09697	0.8
223.20665	6.4
224.20909	0.5
225.22244	23.7
226.22580	2.5
227.03285	1.4
238.60994	0.4
245.04395	1.2
251.20163	4.2
269.21277	100.0
270.21637	9.6
315.16119	0.8
327.12561	1.0
345.15970	0.4
445.31607	0.6
497.25360	37.5
498.25607	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	497.1742
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98719	0.6
71.57458	0.5
77.87859	0.4
82.87112	0.4
83.98275	0.5
87.00763	0.9
93.03355	0.5
117.03379	9.9
118.03773	0.5
119.04945	26.3
120.05267	1.9
121.02890	3.6
122.12352	0.5
123.04424	1.5
133.02919	1.1
145.02890	41.3
146.03255	1.2
162.03198	1.7
163.03960	34.8
164.04288	1.4
245.04268	0.6
269.12024	0.9
297.14984	3.1
315.16055	16.0
316.16461	1.9
327.12363	3.4
340.68298	0.6
461.19806	100.0
462.20163	18.8
497.25488	2.3
497.82098	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2741
Annotation	Ardisenone
Peak:m/z	Relative Intensity
52.36533	0.8
67.34304	0.6
69.86811	1.4
69.87221	2.8
78.95792	37.2
82.68934	0.7
96.96883	3.6
109.21312	0.8
150.97957	0.8
152.99522	57.7
171.00604	17.3
221.99898	0.6
227.03349	3.2
245.04344	100.0
246.04631	4.6
267.23340	59.7
268.23651	7.1
434.65012	0.7
454.46365	0.7
495.27396	53.8
496.27823	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	497.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01777	1.0
59.01266	23.8
70.04889	0.9
71.01271	13.5
71.56352	1.9
72.99202	1.5
73.02846	5.1
75.00763	1.4
78.95774	1.3
79.12569	0.8
85.02853	4.3
87.00770	5.6
87.04398	3.0
89.02342	14.4
101.02341	13.8
103.03965	2.1
111.01904	1.2
113.02384	4.8
115.03944	2.8
119.03439	8.1
123.04440	3.5
125.02337	1.1
131.03419	4.5
135.04456	31.2
136.04793	1.5
143.03441	6.5
145.04941	1.0
149.04482	2.1
153.05516	2.8
163.06126	1.7
179.03476	0.9
179.05591	1.1
180.81398	0.8
191.05594	15.7
205.07179	5.2
282.52481	0.9
293.08896	2.6
315.10916	14.2
461.16776	100.0
462.17075	12.3
497.14578	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	495.2244
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01258	5.4
71.01274	5.3
71.58030	1.9
75.12997	1.6
84.72359	1.5
89.02340	4.3
89.53488	1.4
106.85475	1.4
113.02377	1.6
117.03395	11.3
119.04972	6.3
120.84629	1.4
121.02876	7.4
123.31345	1.3
124.17347	1.7
145.02888	52.7
146.03233	3.5
152.99493	1.6
162.03149	4.1
163.03902	3.3
223.20706	3.5
267.19733	6.7
305.81113	1.7
313.00046	1.5
315.16083	100.0
316.16428	11.8
327.12537	4.0
367.56802	1.7
484.39374	1.6
495.23422	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	495.2246
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95784	0.7
57.98536	0.6
59.01272	4.0
61.25853	0.6
71.01279	4.1
71.58622	1.0
75.82961	0.6
89.02351	4.9
97.29749	0.6
101.02346	2.0
107.45178	0.6
113.02375	1.1
117.03362	4.0
117.41048	0.6
119.04948	18.4
120.05288	1.5
121.02872	3.5
137.02289	0.6
143.03358	0.8
145.02888	20.9
146.03242	1.4
161.02396	1.8
162.03049	1.2
163.03967	19.4
164.04262	1.5
178.14871	0.5
179.05582	2.7
194.06226	0.6
204.21410	0.6
315.16086	100.0
316.16458	12.4
331.15350	0.7
495.18967	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	495.2249
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57296	0.8
53.03999	0.8
59.01272	6.2
64.11880	0.7
69.10954	0.8
69.85306	1.2
69.85709	4.3
71.01266	5.1
73.75471	0.8
77.16414	0.8
78.36938	0.8
78.95790	5.1
89.02350	5.5
96.96853	1.3
101.02351	2.7
112.07068	0.8
113.02358	1.7
114.07294	0.8
117.03358	8.0
119.04939	25.7
120.05247	1.2
121.02863	15.6
122.35435	0.9
123.04445	1.8
133.02902	1.8
135.04433	3.3
136.04747	0.9
145.02888	29.4
146.03258	1.6
152.99522	7.7
161.02411	4.4
162.03177	1.3
162.17000	0.9
162.82692	0.8
162.83847	4.7
163.02693	1.7
163.03952	22.5
164.04283	1.9
164.83571	3.9
171.10048	0.9
179.03496	2.9
179.05528	2.8
300.62009	0.8
315.16074	100.0
316.16406	12.9
325.70056	0.9
331.15570	16.7
332.15851	2.5
334.10040	1.0
413.14618	4.4
458.01782	1.9
459.02100	1.4
495.19342	10.7
496.20215	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2035
Annotation	(-)-Trichodimerol
Peak:m/z	Relative Intensity
54.19958	0.5
59.01258	0.8
70.96569	1.3
88.58313	0.5
93.03381	1.3
96.95950	0.7
98.95502	0.7
107.04917	1.9
117.03374	3.3
119.04946	84.3
119.28120	0.5
120.05279	3.8
121.02880	3.9
121.96898	0.6
123.04398	0.6
133.02881	9.3
134.03677	6.7
135.04457	49.5
136.04762	2.3
137.02370	4.2
139.03928	0.6
143.05035	0.7
145.02898	15.7
146.03453	0.9
149.02287	0.6
150.03076	0.6
152.99559	0.8
159.04460	2.0
161.02397	23.0
161.06015	9.4
162.02789	1.6
162.83852	0.9
163.03958	100.0
164.04295	4.9
164.83516	1.1
165.05533	0.5
179.03470	29.4
180.03802	1.7
204.64894	0.6
205.05069	1.4
207.90721	0.6
227.07172	0.6
257.15411	0.6
269.15326	0.6
315.16089	11.0
316.16333	1.2
331.15598	53.2
332.15866	5.7
333.16721	0.9
349.16547	5.6
495.20313	61.1
496.20654	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	493.2583
Annotation	Pristimerine
Peak:m/z	Relative Intensity
59.01245	0.8
70.16581	1.5
75.37523	0.3
78.95791	13.1
96.96812	0.5
98.20574	0.4
120.96877	2.3
129.91249	0.3
138.97952	3.8
152.99527	12.7
170.22269	0.3
195.00618	5.3
205.95157	0.3
213.01691	7.6
245.04395	1.3
259.36600	0.4
265.21869	0.8
279.23355	100.0
280.23703	9.5
361.69028	0.4
380.01038	0.4
388.02670	0.4
433.24109	0.4
475.24786	28.8
476.25214	4.2
493.25977	12.3
494.26202	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	494.1528
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94809	0.3
53.03403	0.3
57.71609	0.3
59.01258	1.2
61.98718	100.0
70.00103	1.4
71.01291	0.8
72.99231	0.5
81.02524	0.3
85.02848	0.3
89.02351	0.6
101.02339	0.4
123.04467	1.0
135.04453	0.3
153.05508	2.2
180.87897	0.3
188.40529	0.3
378.47241	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.0822
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27459	0.1
59.01260	0.4
71.01259	0.2
71.57416	0.2
71.57796	0.1
75.83524	0.1
78.95798	0.4
79.95632	2.0
82.63848	0.1
85.02841	0.2
89.02335	0.2
96.95914	100.0
97.93036	0.2
97.95847	0.4
101.02334	0.2
109.77490	0.1
113.92534	0.1
114.93320	1.1
119.04969	0.2
133.02890	0.3
135.04456	0.5
145.02892	0.4
149.06024	11.5
150.06367	0.5
152.99487	0.1
155.30943	0.1
161.02419	1.3
163.03947	0.2
179.03471	0.3
190.02831	0.1
203.03632	0.1
230.99564	0.1
270.41742	0.1
341.06931	0.2
353.12454	1.1
384.12546	0.7
384.62772	0.2
406.12943	0.1
432.22571	0.1
495.05148	0.2
496.16891	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	493.2304
Annotation	Ustiloxin D
Peak:m/z	Relative Intensity
52.30118	0.5
55.01766	1.9
57.03331	2.0
58.00467	2.0
59.01265	36.3
60.01612	0.7
60.06415	0.6
61.98706	1.8
63.66549	0.6
64.28274	0.5
71.01270	20.9
71.59350	0.8
72.01599	0.6
72.99191	2.3
73.02443	1.1
73.02834	7.3
75.00777	0.6
78.95801	0.9
81.03333	2.2
83.01267	3.0
83.04913	3.1
85.02841	16.2
87.00770	1.4
89.02338	16.4
95.01276	1.4
99.00787	2.3
99.04427	2.2
101.02347	19.6
102.02671	0.8
103.03908	4.1
107.43908	0.6
108.02060	0.9
109.02866	3.6
113.01044	0.6
113.02367	5.8
119.03403	7.9
123.04429	1.2
125.02345	0.9
127.03938	7.7
127.07527	0.7
131.03455	0.8
133.02866	2.3
135.04388	3.1
143.03368	1.1
145.02861	2.8
145.04993	5.2
147.66656	0.8
149.02382	1.0
151.04044	0.8
152.99464	1.2
161.02408	9.0
161.04514	1.9
162.02737	1.5
163.06111	1.7
177.01819	2.0
179.03546	1.8
179.05565	3.7
185.11784	6.8
186.12238	0.8
201.04395	0.6
329.13733	0.7
331.17697	22.3
332.18158	2.4
373.11328	0.7
391.23907	0.7
403.17963	1.4
404.72601	0.7
433.24420	1.3
473.64804	0.9
474.13818	0.7
492.64908	0.8
493.23022	100.0
494.15479	1.0
494.23337	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	493.2092
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01772	0.2
59.01263	2.4
64.56278	0.2
70.89237	0.3
70.89574	0.4
71.01266	2.5
73.02838	1.1
74.98985	0.3
78.95831	0.3
83.01286	0.7
85.02837	1.7
89.02358	0.6
93.13728	0.2
95.01240	0.2
99.00777	0.4
101.02339	2.4
105.03394	0.3
113.02374	1.3
117.03357	1.1
119.04955	0.3
123.04454	0.2
125.02400	0.2
128.33118	0.2
132.02100	1.3
133.02879	25.0
134.03401	0.9
135.04449	5.9
137.02357	0.3
145.02890	1.4
161.02386	100.0
162.02728	4.9
163.03964	0.5
172.18561	0.2
178.02632	0.3
179.03470	3.3
296.18118	0.2
493.20901	79.8
494.21255	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	493.2304
Annotation	Rhodioloside C
Peak:m/z	Relative Intensity
55.01762	3.2
57.03334	3.0
58.00472	1.9
59.01266	47.2
60.01597	0.7
64.15334	0.4
71.01272	41.6
71.34960	0.5
71.35316	0.8
72.01624	0.5
72.99203	2.8
73.02838	5.8
75.00793	0.5
83.01279	6.1
84.02061	0.6
85.02841	22.2
87.00774	3.0
89.02338	27.7
95.01286	6.0
97.02843	0.9
99.00815	2.2
99.61652	0.5
101.02348	30.3
102.02766	0.6
108.81754	0.4
109.02860	0.4
113.02359	39.5
114.02713	1.8
117.03461	0.5
119.03424	12.7
119.04826	0.8
121.02849	0.6
125.02378	1.1
131.03416	1.2
133.02917	2.7
135.04443	1.6
143.03410	3.8
145.02905	2.1
149.02386	0.7
149.04514	1.1
149.06009	1.8
159.02884	1.0
161.02448	6.7
161.04500	12.3
161.05876	0.5
162.04860	0.7
163.04021	0.5
167.03531	0.6
169.12325	1.1
177.01936	3.1
179.05550	6.3
179.06956	0.6
257.89133	0.4
306.93433	0.5
313.07333	0.7
331.17694	27.4
332.18118	2.4
361.18820	0.8
459.92941	0.6
493.23032	100.0
493.90027	0.5
494.23376	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	493.208
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01258	5.7
61.98714	2.0
65.63206	1.2
71.01272	5.1
71.57936	1.8
78.14046	1.3
78.95791	11.4
85.49373	1.1
89.02347	3.5
96.96865	1.8
113.02370	1.7
117.03388	12.3
119.04919	6.3
121.02853	3.2
133.02888	11.1
135.04434	7.1
145.02892	83.5
146.03239	5.1
152.99545	4.7
160.84163	12.1
161.02402	17.0
162.02776	1.4
162.83864	29.8
163.03947	5.1
167.10725	2.1
170.15233	1.3
171.00639	2.2
179.03447	4.7
179.05624	1.2
211.07442	1.8
242.44080	1.2
259.02081	1.8
275.28479	1.4
313.14526	100.0
314.14963	10.9
329.13980	3.9
330.14523	1.7
331.15662	2.3
347.15097	4.7
428.45636	1.4
433.10889	2.0
456.02097	6.1
457.02805	7.1
458.01895	15.1
466.39511	1.5
493.18683	22.9
493.27759	5.9
494.19131	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	493.2093
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	0.3
57.03339	0.4
59.01263	4.7
61.98723	1.1
69.47277	1.0
69.47696	0.4
71.01273	3.6
73.02834	1.1
74.99000	0.6
75.00767	1.0
76.30937	0.2
78.57587	0.2
83.01276	0.6
83.86063	0.1
85.02840	1.8
87.00756	0.2
89.02331	1.5
93.03320	0.2
95.01266	0.4
99.00768	0.9
101.02345	2.5
103.55804	0.2
105.03384	0.5
107.04960	0.3
113.02361	1.2
117.03384	1.3
119.03437	0.4
119.04939	0.3
123.04439	0.4
125.02352	0.3
132.02090	1.3
133.02884	26.8
134.03279	1.1
135.04453	6.7
136.04761	0.4
137.02438	0.4
145.02895	1.1
149.05954	0.2
161.02393	100.0
162.02728	4.5
163.03984	0.6
177.05504	0.3
179.03459	4.5
185.06078	0.5
221.04532	0.4
281.06833	0.4
392.12213	0.6
410.24075	0.2
475.28476	0.2
493.20920	73.9
494.21271	11.2
507.20792	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2092
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01763	0.4
57.03344	0.3
59.01265	6.4
60.04298	0.2
61.98708	0.6
71.01266	4.6
72.99203	0.3
73.02836	1.6
75.00753	0.2
78.95804	0.5
83.01279	0.9
83.78226	0.2
85.02840	2.2
85.99979	0.2
87.00766	0.4
89.02347	0.6
95.01271	0.3
97.02834	0.2
99.00787	0.6
101.02345	3.4
105.03367	0.4
111.00841	0.2
113.02368	1.2
117.03391	2.7
119.03424	0.2
119.04945	1.3
119.05602	0.2
119.61839	0.3
121.02900	0.5
123.04459	0.4
129.98378	0.2
132.02121	1.1
133.02881	25.5
134.03319	0.8
135.04453	6.6
136.04753	0.4
137.02385	0.4
138.05515	0.2
139.03932	0.3
145.02904	1.4
149.06015	0.3
151.00319	0.2
152.99533	0.8
161.02390	100.0
162.02733	5.0
163.03984	1.8
168.53352	0.2
171.46361	0.2
178.02754	0.3
179.03450	4.2
180.03816	0.3
183.54402	0.2
191.05635	0.6
315.18329	0.3
331.15573	4.1
331.25165	0.2
331.39371	0.2
332.16013	0.4
357.01474	0.2
392.12326	0.7
447.22394	1.5
493.20911	78.4
493.30048	7.7
494.21274	12.8
494.30313	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1885
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01261	2.1
61.53712	0.8
61.98713	1.2
71.59082	1.1
74.34511	0.7
78.95803	1.2
96.95923	1.0
98.95473	0.8
107.04922	0.8
117.03364	2.5
117.99429	0.7
119.04942	11.2
121.02828	1.9
133.02882	18.9
134.03682	3.9
135.04460	27.9
136.04721	1.1
137.02371	3.1
139.03993	1.3
141.76826	0.8
145.02904	12.1
161.02393	71.5
162.02715	3.4
162.83852	0.9
163.03949	11.9
166.09381	0.8
169.91998	0.7
178.02647	1.4
179.03491	15.7
180.03815	1.1
187.27522	0.8
205.05043	3.3
233.57133	0.7
235.64003	0.7
267.97003	0.8
285.11346	2.9
297.73517	0.8
313.14520	21.7
314.14874	2.8
315.16107	3.9
329.13989	4.5
331.15573	18.4
331.18863	0.6
332.15842	1.5
347.15085	3.2
386.80508	0.8
493.18762	100.0
494.19086	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	493.209
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94331	0.5
51.91311	0.5
54.76340	0.6
57.72144	0.6
59.01271	1.5
60.21613	0.5
71.01273	1.2
71.57308	1.1
78.95784	1.6
89.02332	1.0
91.51038	0.5
105.18954	0.5
109.39246	0.6
117.03371	5.8
119.04942	3.8
121.02866	1.7
121.91038	0.6
123.04428	0.5
124.05274	1.0
126.17685	0.5
132.02058	0.8
133.02879	21.1
134.03625	2.3
135.04474	5.2
137.02356	2.6
144.55919	0.6
145.02887	35.0
146.03233	1.8
152.08344	0.8
152.99507	1.8
155.81659	0.6
160.84103	0.7
161.02393	100.0
162.02710	5.7
162.83826	2.7
163.03958	3.4
164.83653	0.6
167.10718	2.9
169.25104	0.5
178.02722	0.8
179.03548	2.7
193.54723	0.6
251.07379	0.7
260.61365	0.6
313.14532	47.1
314.14798	4.7
315.16037	1.1
317.42767	0.8
331.15582	50.6
332.15891	6.6
332.89056	0.6
449.19553	1.1
458.01852	0.9
493.18738	81.8
494.12253	1.2
494.19092	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	493.1898
Annotation	Thielavin I
Peak:m/z	Relative Intensity
58.81681	0.2
59.01247	0.3
70.59422	0.2
71.29224	0.6
77.60259	0.2
78.95803	0.3
80.52562	0.2
96.95914	0.2
109.02917	0.3
117.03371	1.2
119.04962	1.0
121.02869	0.6
132.02110	0.7
133.02884	19.0
134.03700	2.7
135.04448	5.3
137.02382	2.2
139.03966	0.6
145.02892	4.2
152.99551	0.6
161.02390	100.0
162.02733	4.9
162.83957	0.5
163.03964	0.8
167.10629	0.5
178.02704	1.0
179.03481	2.4
202.61446	0.2
212.01256	0.2
300.16138	0.2
313.14505	5.2
314.14725	0.5
315.15909	0.5
331.15579	48.0
332.15921	5.5
376.77213	0.3
417.08398	0.3
493.18790	75.3
494.19119	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	493.1153
Annotation	CHEBI:69451
Peak:m/z	Relative Intensity
50.93293	0.6
59.01261	2.5
61.17125	0.5
61.80853	0.7
61.98713	1.7
65.00201	1.4
69.77371	4.3
71.10094	0.6
72.64260	0.6
107.01303	2.7
117.03381	1.3
119.04942	1.6
121.02902	0.7
124.37656	0.5
125.02335	1.1
133.02876	14.4
135.04451	0.8
145.02908	3.4
149.02362	2.8
151.00301	7.5
161.02393	2.2
162.83844	3.1
163.03940	1.3
175.04034	3.1
183.04529	1.0
184.57056	0.8
199.03915	3.5
201.02034	0.9
217.05092	2.0
226.20226	0.8
227.03539	1.7
241.05127	1.5
252.15262	0.7
255.03026	26.0
256.03787	24.5
257.04208	2.1
283.02548	44.6
283.99954	1.4
284.03314	73.4
285.04083	100.0
286.04474	9.9
326.04449	0.7
347.15067	1.6
435.10709	0.8
458.01895	0.9
475.10309	1.5
476.17007	1.0
493.11508	15.4
493.18945	3.6
493.31146	0.7
494.11865	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.1373
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01767	1.4
57.03352	0.6
58.00494	0.5
59.00993	0.8
59.01268	11.1
64.01815	2.1
64.74318	0.4
65.99734	1.7
69.03343	0.7
70.94635	0.5
70.94982	1.0
71.01270	14.3
72.99202	0.8
73.02835	13.9
75.00754	0.6
81.03326	0.8
83.01268	5.1
85.02834	5.5
87.00761	1.1
89.02338	8.4
89.67651	0.4
94.02869	1.6
94.20512	0.5
95.01288	1.7
97.02853	4.1
99.00778	36.8
100.01113	1.1
101.02346	27.2
106.02899	0.6
113.02360	5.5
115.03933	0.6
119.03425	1.4
122.02402	1.3
122.03655	2.1
124.03996	0.6
125.02367	1.3
131.03473	3.1
134.02432	3.8
134.03407	0.7
137.02353	1.1
138.01903	1.3
143.03445	0.9
149.02376	1.8
149.04478	1.4
150.01965	2.0
150.03156	27.5
151.03639	1.0
152.03400	0.5
160.82098	0.5
161.02361	0.6
161.04521	3.2
162.01900	4.4
164.03476	0.7
165.01881	0.9
171.94778	0.5
179.02196	0.8
180.02969	8.7
180.27490	0.6
181.03419	0.7
191.05580	6.0
198.04085	0.6
233.06595	0.7
238.57658	0.5
306.17691	0.4
314.04898	0.4
360.09540	1.1
371.61823	0.5
469.30869	0.6
492.13699	100.0
493.14005	12.9
493.21924	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03333	0.6
59.01259	1.7
61.98716	0.5
66.51580	0.3
67.35822	0.4
70.17120	1.5
78.95798	16.6
79.38711	0.3
83.04935	0.3
96.96867	0.8
97.06443	0.4
113.09623	2.7
117.03364	1.2
117.05419	0.3
119.04954	2.2
119.58642	0.3
121.02861	0.6
123.61555	0.3
133.02870	1.4
134.72452	0.3
135.04445	2.1
140.01154	3.2
145.02885	4.8
152.99525	3.5
160.84163	5.0
161.02376	3.7
162.83862	2.3
163.03960	1.8
171.00583	2.2
177.12813	0.5
179.03459	1.3
179.14311	1.8
180.93152	0.3
181.12308	0.5
195.13884	17.7
196.03842	1.8
196.14230	1.2
214.04842	5.0
238.84998	0.4
241.25735	0.4
277.21780	16.2
278.22186	1.6
279.98062	0.4
295.22849	100.0
296.23209	10.3
312.10608	0.3
315.16034	0.5
329.13968	1.2
340.10889	0.4
347.15067	0.8
432.09695	0.6
456.02225	2.1
457.02957	0.5
492.27435	38.7
493.18808	5.4
493.27740	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	492.2743
Annotation	Unknow
Peak:m/z	Relative Intensity
55.20569	0.4
57.03337	0.7
57.40351	0.5
59.01265	2.2
61.98720	1.7
64.55872	0.4
69.15804	0.5
69.74783	2.1
69.75191	0.8
78.95794	74.9
81.23640	0.4
83.04900	0.7
90.09254	0.4
96.96864	5.6
97.80099	0.4
98.20500	0.5
99.08072	0.8
102.53171	0.5
113.09612	2.2
117.03377	1.7
118.37679	0.4
119.04949	2.3
120.51163	0.4
121.02873	1.7
133.02867	5.0
134.03654	1.0
135.04436	8.1
137.02373	0.8
140.01140	3.9
145.02890	7.9
148.05154	0.6
152.99510	13.0
160.84152	6.4
161.02377	11.4
162.83862	13.2
163.03905	1.8
171.00592	13.8
177.01959	0.4
177.12799	0.9
179.03468	2.8
179.14290	0.7
183.13869	2.7
188.80775	0.4
195.13881	15.6
196.03738	1.4
196.14249	0.7
201.06247	0.4
213.26018	0.4
214.04831	5.3
219.10156	0.5
243.02750	0.5
251.23860	0.6
261.02692	0.5
263.09366	1.2
277.21783	13.4
278.22083	1.4
279.97751	1.0
293.21286	0.7
295.22839	100.0
296.23181	10.3
303.90152	0.9
305.89746	1.4
313.14520	3.0
329.14044	5.8
347.15054	1.4
350.97150	0.5
411.13077	1.4
418.23526	0.6
420.04568	0.6
432.09857	0.6
454.00568	2.1
456.00888	6.2
457.01645	0.6
458.54062	0.6
492.27438	62.5
493.18784	20.2
493.27652	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	492.1372
Annotation	Glyburide
Peak:m/z	Relative Intensity
51.55534	0.3
55.01758	1.2
57.03327	1.3
58.00478	0.6
59.01267	13.9
62.27724	0.4
64.01802	1.4
65.99722	1.6
69.03352	0.5
69.26024	2.9
69.26436	0.7
70.85590	0.3
71.01273	27.7
72.01598	0.4
72.99197	1.4
73.02834	6.1
75.00746	0.6
83.01290	3.1
85.02844	11.8
85.99982	0.6
87.00772	3.2
89.02341	12.8
94.02876	0.8
95.01296	1.6
99.00774	6.9
101.02343	8.0
106.02868	0.7
113.02354	8.0
119.03413	1.1
121.92211	0.3
122.02402	1.3
122.03653	2.6
125.02348	0.8
125.49417	0.4
131.03427	18.2
132.03757	0.5
134.02429	3.3
137.02394	0.6
138.01894	0.8
143.03378	0.7
149.02345	1.0
149.04453	1.6
150.01921	3.2
150.03148	23.6
151.03525	1.1
155.81189	0.3
161.04507	0.7
162.01938	3.8
178.65598	0.4
180.02992	6.8
180.04591	0.5
191.05573	9.3
198.04128	0.5
233.06473	0.6
267.53900	0.4
283.58041	0.4
360.09509	1.8
457.66074	0.4
492.13718	100.0
493.14059	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	491.303
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	1.5
60.68610	0.4
61.44114	0.4
61.98713	1.0
71.01274	0.6
78.95787	2.0
89.02326	0.7
91.03899	1.2
94.97510	0.4
98.20672	0.9
111.72417	0.4
117.03376	17.9
118.03690	0.7
119.04945	9.9
120.05263	0.6
121.02866	3.2
123.04431	0.7
133.02885	0.9
145.02888	100.0
146.03201	4.7
152.99530	1.3
163.03969	5.9
171.00601	0.7
225.22179	0.7
271.20065	0.7
271.22858	7.3
272.23050	0.5
331.26532	7.0
332.26913	0.9
341.80936	0.4
355.26443	1.3
387.25528	0.4
399.25485	25.1
400.25784	3.1
417.26553	17.6
418.26935	2.5
487.27325	0.5
491.30280	49.2
492.30579	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	491.2876
Annotation	Bu 2867TF
Peak:m/z	Relative Intensity
55.01747	0.5
57.03335	0.9
58.00480	0.8
59.01265	27.8
60.36057	0.4
61.98719	3.7
69.26710	5.2
71.01270	15.3
72.99187	1.4
73.02832	1.8
79.96335	0.5
83.01276	1.8
85.02843	4.7
87.00769	1.5
88.98680	0.6
89.02336	8.2
90.98493	0.8
95.01292	1.5
99.00768	0.7
99.08045	0.6
101.02343	9.0
101.85586	0.5
113.02349	4.7
113.48939	0.5
119.03468	2.6
119.04903	2.3
120.01135	0.7
121.02908	0.5
133.02867	1.8
135.04469	1.4
139.11201	0.6
143.03421	0.6
145.02876	0.9
149.06021	3.0
157.40990	0.5
161.02380	7.8
161.04501	0.6
163.03984	2.3
163.11221	0.7
171.10165	1.0
177.43881	0.5
179.03491	0.6
193.12277	0.7
211.13364	4.3
229.14388	3.3
287.22314	3.4
293.21304	8.3
294.21561	0.6
299.02060	0.7
311.22318	4.5
311.25677	0.7
312.22562	0.6
314.04404	0.9
329.23352	8.6
330.23596	0.6
422.17276	0.5
431.26437	1.8
449.27667	4.2
450.27972	0.9
473.27811	0.6
491.19797	4.6
491.28699	100.0
492.18866	0.8
492.29108	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	491.3023
Annotation	Unknow
Peak:m/z	Relative Intensity
57.85780	0.3
58.29546	0.3
59.01262	2.5
61.98705	0.4
66.91475	0.2
71.01271	0.9
71.14297	0.2
71.57528	0.3
78.95798	1.1
89.02339	0.9
91.03896	1.0
101.02367	0.5
113.02395	0.3
117.03379	19.0
118.03679	0.4
119.04945	10.2
120.05289	0.5
121.02877	2.4
122.03273	0.3
123.04432	0.9
132.05736	0.4
133.02866	0.6
134.03636	0.5
145.02888	100.0
146.03227	4.8
152.99541	2.3
156.05771	0.3
157.08607	0.3
162.03125	0.3
163.03966	6.5
221.87476	0.3
225.22385	0.4
253.09451	1.4
255.23322	11.8
256.23618	0.9
271.22855	7.7
272.23273	0.6
302.45212	0.2
331.22705	0.5
331.26495	7.6
332.26886	1.0
355.26395	1.1
397.55814	0.3
399.25497	27.0
400.25760	3.6
409.23761	0.5
417.26559	19.5
418.26965	3.1
454.61072	0.3
491.30267	46.3
492.30609	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	491.1784
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	1.7
57.03334	1.2
58.00483	4.4
59.01264	81.8
60.01600	2.1
61.10690	0.7
61.98721	10.7
67.01717	0.8
69.03345	8.7
70.43651	3.0
71.01271	100.0
72.01593	1.3
72.99203	4.3
73.02837	8.2
74.87360	0.7
75.00769	1.9
81.03335	4.6
83.01289	5.8
85.02850	15.3
87.00769	3.2
89.02338	85.5
90.02670	2.5
92.72097	0.8
93.03390	1.2
95.01297	2.3
97.02856	11.1
99.00771	2.7
101.02350	21.9
106.04170	1.9
107.04925	1.3
111.00726	1.1
111.04417	0.9
113.02356	12.7
119.03427	3.6
119.04920	4.3
125.02369	37.0
126.02701	1.8
131.03430	23.7
135.04442	3.1
136.04765	1.1
137.06017	72.1
138.06361	3.7
139.03946	1.7
143.03445	3.7
149.04500	28.3
150.04810	1.6
161.04471	1.2
191.05598	9.7
233.06671	7.0
282.73676	0.9
293.08850	90.6
294.09238	6.5
295.09222	0.8
431.15598	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	491.1631
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27710	0.2
59.01270	1.6
69.03333	0.3
71.01272	4.2
71.56233	0.4
73.02845	2.8
75.00766	1.2
76.68246	0.3
78.95814	0.4
85.02853	1.3
87.00776	2.0
89.02339	20.6
93.03352	0.5
96.95919	0.6
103.03931	1.6
103.82659	0.3
131.03433	5.5
133.01424	0.3
147.65869	0.2
149.04500	100.0
150.04842	3.1
166.43269	0.3
171.14270	0.3
175.06157	0.3
179.05513	0.4
191.05606	9.2
192.05946	3.0
193.05925	4.1
196.15810	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1782
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57323	0.9
55.01775	1.9
57.03338	2.0
58.00471	2.1
59.01264	79.9
61.98722	11.7
69.03339	9.0
71.01270	91.9
71.36576	2.2
72.01627	1.5
72.99187	2.1
73.02834	8.2
75.00766	1.6
81.03351	3.9
83.01259	6.0
85.02835	12.9
85.12320	1.0
87.00780	2.1
89.02336	69.6
90.02669	2.0
95.01290	2.7
97.02837	10.7
97.03403	1.2
97.94699	0.9
99.00777	1.7
99.25343	1.0
101.02345	16.5
106.04175	3.6
107.04958	1.9
108.02065	1.9
113.02354	11.0
119.03439	2.1
119.04939	4.2
125.02363	32.1
127.14977	1.0
131.03419	17.6
135.04407	2.7
137.06012	71.6
138.06342	2.4
139.03961	1.5
143.03421	2.4
149.04494	29.3
153.24287	1.0
161.85249	0.9
168.98752	1.1
177.03224	1.2
188.71217	1.0
191.05554	10.1
233.06718	5.1
257.18280	1.0
289.23486	0.9
293.08844	100.0
294.09058	8.0
318.56506	1.2
431.15512	2.7
481.21252	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1782
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35202	0.6
55.01759	2.2
57.03329	2.2
58.00482	0.9
59.01266	21.3
64.01815	1.4
65.99734	1.4
69.03338	0.8
69.31982	5.6
71.01273	29.6
72.99190	2.4
73.02833	8.3
75.00767	1.8
83.01271	4.6
85.02843	13.1
85.99988	0.7
87.00758	3.6
88.98708	4.0
89.02338	12.5
91.00257	1.3
95.01266	2.1
99.00793	7.1
101.02350	13.6
106.02924	0.6
108.35283	0.6
113.02347	10.2
119.03456	1.4
122.02402	0.9
122.03641	1.8
125.02315	0.9
131.03429	9.5
134.02370	2.6
135.04399	0.8
138.01926	0.9
149.02359	1.3
149.04445	1.6
150.01938	1.7
150.03163	18.4
151.03838	0.6
159.02924	1.0
161.04527	4.3
162.01892	2.5
179.02090	0.9
180.02997	5.0
184.02440	0.9
191.05606	5.7
198.04094	0.7
269.10376	4.0
293.08890	0.9
296.26901	0.6
360.09506	1.3
431.15674	22.3
432.15979	2.5
491.13126	1.8
492.13708	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	490.2586
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78907	0.6
57.03339	1.7
57.45142	0.5
59.01264	3.6
59.92295	0.5
60.60806	0.5
61.98723	1.8
71.01270	1.2
71.94627	0.5
73.02839	0.6
78.95796	57.1
96.95907	0.7
96.96863	3.6
97.06489	0.6
98.19741	1.1
101.02407	0.6
108.02071	0.7
113.09640	8.8
117.03373	0.8
119.04952	7.0
120.05299	2.1
121.02904	0.8
121.10160	4.0
122.10475	0.5
125.09678	0.8
126.02883	0.5
133.02899	3.4
134.03741	0.7
135.04443	3.0
139.11308	0.7
140.01131	5.3
145.02885	3.1
145.06535	1.5
146.03223	0.7
148.05272	0.6
152.99535	9.9
158.84610	0.6
160.84198	3.5
161.02397	8.1
162.83856	1.2
163.03979	6.6
164.04282	2.5
167.10727	2.1
171.00584	9.0
171.01900	0.8
171.10223	13.5
177.05533	1.0
179.03441	1.7
179.10735	1.5
183.13861	3.8
185.11862	0.9
190.05885	0.6
195.13857	2.9
196.03801	2.4
204.04335	1.9
205.04596	1.4
211.13405	0.8
214.04831	5.3
216.98082	0.7
219.06625	1.2
220.06941	1.1
221.04492	1.0
223.13412	1.7
225.05563	0.6
231.21165	1.0
232.00090	0.5
235.17113	0.9
249.22441	1.0
253.05157	0.6
262.01312	0.6
275.20227	19.6
276.20648	2.5
277.00385	1.8
278.00833	1.5
289.79166	0.6
293.21310	100.0
294.21606	9.9
326.11200	1.0
392.59006	0.6
430.12781	5.9
447.16382	0.7
454.00812	1.2
454.17389	2.2
454.67749	0.8
476.17041	2.1
490.16727	7.1
490.25864	54.2
490.66934	4.0
491.17282	3.3
491.26285	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	490.1369
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01267	3.8
59.13470	0.2
60.00790	0.9
61.98716	4.9
62.68093	0.3
70.71078	0.9
71.01268	2.5
72.99233	0.2
73.02843	0.8
75.00735	0.3
85.02850	0.9
87.00765	0.4
89.02348	0.7
99.00779	0.3
101.02354	1.1
105.03381	0.7
107.04941	0.3
109.02872	0.5
111.37183	0.2
113.02362	0.7
117.03387	1.1
119.04943	6.8
121.02865	1.2
123.04440	0.4
131.03687	0.3
132.02080	1.8
133.02881	37.7
134.03329	1.5
135.04448	20.4
136.04797	1.0
137.02386	1.1
139.03949	0.3
145.02921	0.6
148.04008	0.8
148.05206	0.3
149.06017	1.1
159.04385	0.4
161.02390	100.0
162.02727	5.1
163.03960	1.1
164.04730	2.2
166.05087	1.2
171.05377	0.3
175.03990	0.7
177.01865	0.5
177.05533	1.9
177.39342	0.3
178.02649	0.6
179.03471	12.3
179.07039	2.9
185.05812	0.2
203.03543	1.3
220.03757	0.5
221.04521	2.5
251.05550	0.3
263.05817	0.4
280.05896	0.4
294.52228	0.2
323.07782	21.5
324.08136	2.0
443.13568	45.2
444.08105	0.5
444.13898	7.0
455.11935	0.3
490.13678	18.4
490.27805	0.6
491.13599	2.5
491.20331	0.4
491.28568	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.2586
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01268	8.7
61.98718	2.8
69.85891	6.3
71.01264	2.7
71.04900	2.8
77.10450	0.9
78.95795	18.6
81.13404	0.9
96.96857	1.1
97.02785	1.1
97.17685	1.0
101.02367	1.3
111.50031	1.0
117.03377	1.0
119.04920	3.4
133.02870	4.7
135.04404	2.8
140.01089	4.1
145.02867	3.7
152.99493	2.9
160.84160	19.2
161.02365	6.4
163.03963	2.4
164.04234	1.3
171.00648	2.4
175.03943	1.1
179.03436	1.2
196.03809	2.9
209.15384	1.4
214.04892	7.5
223.16962	3.8
231.21173	2.0
233.97325	1.4
234.99155	1.5
235.17043	26.5
236.17419	3.4
249.83047	1.1
275.17398	2.0
275.20215	26.1
276.20514	3.0
277.00342	2.9
278.00449	1.2
279.97852	3.7
293.21295	100.0
294.21667	11.0
303.89804	1.2
329.14124	1.2
332.15958	1.2
348.34317	1.2
397.84949	1.0
430.07416	6.0
430.13229	8.4
431.09427	1.5
454.00552	10.9
455.00922	1.6
455.26590	1.1
476.16870	1.9
490.16718	6.7
490.25778	36.2
490.66885	4.8
491.16998	3.3
491.26163	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	490.1369
Annotation	Unknow
Peak:m/z	Relative Intensity
57.20304	0.1
59.01263	2.5
60.52404	0.1
61.98717	100.0
67.52820	0.2
70.30433	0.1
71.01276	0.5
73.02836	0.3
77.46566	0.1
85.02849	0.2
88.98708	0.7
89.02335	0.2
101.02361	0.4
113.02387	0.3
117.03373	0.4
119.04948	3.2
119.05735	0.2
121.02821	0.2
133.02885	0.4
135.04501	0.5
136.04756	0.2
145.02892	3.2
149.06035	0.5
161.02359	1.0
161.04485	0.2
163.03946	2.5
163.05202	0.2
164.04474	0.2
179.03532	0.5
180.03806	0.2
263.09427	0.6
270.20840	0.2
315.18417	0.3
324.33420	0.2
427.14053	6.5
427.19812	0.3
428.14279	0.8
466.15540	0.2
490.27670	0.5
491.19119	0.6
491.28860	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.1369
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01268	4.0
60.00792	1.1
61.98714	5.2
62.80099	0.2
65.21714	0.2
70.01549	1.0
70.01957	0.6
71.01274	3.0
72.99183	0.3
73.02841	0.6
74.82883	0.2
75.00771	0.4
83.01286	0.4
84.51128	0.2
85.02867	1.1
87.00777	0.6
89.02351	0.8
93.03378	0.4
95.01286	0.3
95.37502	0.3
95.46906	0.3
99.00777	0.4
101.02350	1.5
105.03374	0.6
107.04961	0.6
107.71070	0.3
108.02129	0.3
109.02863	0.6
109.87207	0.2
113.02358	1.0
115.01900	0.2
117.03392	1.2
119.03513	0.4
119.04943	6.0
121.02884	0.9
123.04523	0.6
131.03639	0.4
132.02081	1.6
133.02890	34.5
134.03613	1.1
135.04459	19.3
136.04782	1.1
137.02380	1.1
139.03903	0.4
145.02885	0.9
148.03979	0.7
148.05133	0.3
149.06062	0.9
150.03171	0.4
159.04446	0.2
160.01613	0.4
161.02397	100.0
162.02719	5.1
163.03966	0.7
164.04756	2.6
165.01866	0.3
166.05060	1.5
173.06075	0.3
175.04001	0.8
177.01836	0.5
177.05562	2.5
178.02742	0.5
179.03470	11.6
179.07072	3.4
180.03845	0.5
203.03523	1.2
220.03780	0.4
221.04549	2.4
251.05724	0.4
263.05661	0.4
280.06015	0.8
323.07788	24.5
324.08023	2.2
328.62552	0.3
383.13651	0.4
383.68277	0.3
419.06375	0.3
443.13559	53.3
444.13907	8.6
449.38733	0.3
455.12604	0.4
469.18799	0.4
489.27451	0.4
490.13638	21.5
490.27777	1.0
491.13385	3.1
491.19528	0.8
491.28897	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	490.1367
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01766	0.3
59.01266	5.2
60.01601	0.2
61.98718	100.0
67.15138	0.1
69.49284	0.9
69.49712	0.5
71.01273	2.9
72.01622	0.4
73.02824	1.8
75.00760	0.3
79.43192	0.2
83.01308	0.4
85.02863	1.8
86.03196	0.2
87.00806	0.4
88.98717	1.1
89.02335	1.0
95.01283	0.3
97.02853	0.3
99.00778	0.4
101.02350	1.8
102.02676	0.4
113.02365	1.1
117.03432	0.2
119.04958	1.5
124.01595	1.8
125.02332	0.3
131.03410	0.2
135.04524	0.2
143.03426	0.4
145.02895	2.2
161.02426	0.4
161.04485	1.0
162.04851	0.2
163.03951	1.6
212.77182	0.2
257.88544	0.2
263.09302	0.3
298.17441	0.2
315.18375	0.8
316.18643	0.8
329.23526	0.2
335.83420	0.2
345.30420	0.2
360.35321	0.2
427.14081	4.2
428.14713	0.4
429.21323	0.4
430.21707	1.2
447.22406	1.4
448.22800	4.5
449.22842	0.4
490.24030	0.7
491.19281	0.3
491.28860	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2715
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86709	0.5
55.01760	1.0
57.03334	1.1
58.00465	0.5
59.01268	22.3
59.02076	0.5
61.98722	1.7
62.09597	0.5
69.03364	0.5
69.71107	2.5
71.01274	13.2
72.99202	0.8
73.02838	5.7
81.03341	0.6
83.01290	1.5
83.04910	0.8
85.02850	7.7
85.78219	0.4
87.00787	1.2
89.02338	5.6
95.01292	1.9
96.95901	0.5
97.02889	1.0
97.06502	1.8
99.00776	3.3
99.04481	0.6
99.08158	0.5
101.02358	8.1
107.04906	0.5
111.00794	0.7
113.02338	4.9
119.03391	1.1
119.04935	0.9
121.10173	0.7
125.02381	1.1
125.09652	1.6
127.11237	2.0
129.99806	0.5
133.02908	2.1
135.04471	2.8
137.09750	0.5
143.03470	0.9
145.02910	1.4
149.04541	0.6
149.06061	0.7
155.10732	7.0
155.11871	0.8
155.14366	0.6
159.04271	0.4
161.02420	5.6
161.04494	2.8
165.12831	1.2
171.10219	13.2
172.10608	0.9
179.03566	0.9
179.10852	0.5
181.04944	0.4
183.13893	1.1
185.11839	1.2
191.05591	0.8
193.12289	0.9
197.11806	0.7
203.03430	0.7
209.11852	1.5
211.13387	11.8
212.13753	1.0
221.11862	0.9
227.12927	0.9
229.14467	31.3
230.14803	2.5
239.13058	0.7
247.20825	0.7
253.14456	0.6
257.14124	0.8
291.19742	4.8
292.19885	0.7
293.08792	0.6
309.20901	3.6
310.20941	0.6
311.22501	1.8
315.18311	1.3
327.21860	10.3
328.22269	1.6
331.09229	0.7
367.17816	1.3
373.26096	0.8
391.19644	3.0
392.12344	0.6
429.21619	1.8
443.13779	0.7
447.22433	4.7
448.22388	0.6
489.27325	100.0
490.13721	1.1
490.27609	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	489.2354
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07909	0.3
55.01768	0.9
57.03344	0.7
59.01265	100.0
60.01604	1.1
61.98727	1.2
71.01270	11.3
72.99203	0.6
73.02832	3.9
75.00781	0.6
83.01276	1.8
84.02109	0.4
85.02840	5.7
87.00791	1.2
89.02322	2.4
95.01304	0.9
97.02878	0.5
97.13939	0.3
99.00813	1.5
101.02343	8.9
111.00804	0.3
113.02368	5.2
119.03453	0.9
119.04959	0.4
125.02419	0.9
130.35011	0.3
131.03490	0.6
133.02930	0.8
135.04456	2.0
137.09656	0.9
143.03444	0.8
145.02943	0.3
150.03197	0.4
159.02965	0.7
161.02432	2.1
161.04483	3.5
166.05042	2.6
179.03532	1.0
179.05527	0.5
180.04037	0.3
189.12837	0.8
191.05595	0.7
203.03656	0.4
225.14958	1.8
293.08725	0.4
334.59100	0.8
369.19272	11.4
370.19748	1.7
387.20340	19.8
388.20612	2.8
392.11981	0.4
429.21378	13.4
430.21713	2.1
457.90897	0.4
489.14987	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2356
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01768	3.2
57.03336	3.0
58.00484	1.2
59.01266	100.0
60.01601	1.0
61.98720	1.4
67.01781	0.5
69.03338	1.2
69.22780	5.4
71.01271	49.1
72.01620	0.9
72.98843	0.5
72.99181	2.7
73.02837	26.3
75.00762	2.1
81.03365	0.8
83.01271	6.7
85.02846	24.1
87.00767	3.0
88.98708	0.6
89.02338	14.1
93.03329	0.5
95.01296	5.1
97.02866	2.7
99.00776	11.6
99.04417	1.1
101.02347	32.7
102.02672	1.0
107.04917	0.4
109.02868	0.7
111.00819	1.2
113.02359	23.3
114.02711	0.5
117.03335	0.8
119.03394	2.9
119.04929	0.9
121.02850	0.7
125.02372	3.4
127.03840	0.5
129.01843	0.9
131.03421	3.0
133.02892	3.8
133.98926	0.4
135.04427	4.5
137.02339	0.6
137.09673	0.6
139.03935	0.6
143.03419	2.9
143.10744	0.5
145.02933	0.7
149.04463	1.5
149.06020	0.9
150.03163	0.5
159.02968	3.7
161.02429	11.9
161.04485	17.3
171.10228	2.1
179.03473	1.6
179.82898	0.5
191.05576	1.6
197.11719	0.5
203.03424	0.6
211.13382	0.5
215.58904	0.5
229.14496	1.4
230.14839	0.4
232.29308	0.4
234.45802	0.5
249.15082	0.7
293.08868	1.5
297.16998	1.0
315.18195	14.7
316.18628	1.3
323.07687	4.6
327.21863	7.5
357.19247	3.3
367.17761	0.6
388.61404	0.4
392.62451	1.0
429.21216	9.3
429.26340	0.9
430.21555	1.6
437.64410	0.4
447.22440	50.8
448.22800	6.3
473.87457	0.5
489.23459	82.8
490.13141	1.0
490.23843	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	489.2354
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30604	0.1
55.01772	3.7
57.03341	4.0
58.00486	1.2
59.01265	89.5
59.94592	0.2
60.01604	1.1
60.99199	0.2
67.01765	0.2
68.99703	0.5
69.03341	2.6
69.63289	1.1
71.01271	60.2
71.04910	0.4
72.01617	1.0
72.99198	3.0
73.02837	31.7
74.03179	0.6
75.00765	4.6
81.03362	1.5
83.01278	8.2
84.01580	0.2
84.02063	0.3
85.02843	38.0
86.00001	0.7
86.03181	0.7
87.00768	4.6
87.04418	0.7
89.02338	16.4
90.02685	0.2
95.01284	4.4
97.02856	4.3
99.00783	11.4
99.04424	0.5
101.02348	37.1
102.02667	0.9
105.15736	0.2
111.00800	0.5
113.02357	26.4
114.02699	0.5
115.03916	1.1
119.03433	3.6
119.58134	0.2
123.00803	0.7
124.01584	31.8
125.02403	7.6
126.02724	0.3
129.01857	0.9
131.03426	5.7
141.01843	0.3
143.03441	6.9
143.04561	0.4
144.03784	0.3
149.04478	1.3
153.12793	0.6
159.02930	4.4
161.04503	22.0
162.04846	0.8
179.03479	0.2
179.05545	0.5
185.04564	0.2
191.05608	0.5
197.11755	0.4
205.03455	0.8
205.07147	2.6
211.13426	0.5
233.06648	0.2
261.15018	2.3
275.07825	0.2
279.16107	2.3
293.08759	0.2
297.17117	5.8
298.17523	0.6
315.18185	25.7
316.18524	2.4
341.15738	0.2
357.19247	3.8
359.17209	0.3
382.53180	0.2
429.21375	24.6
430.21750	3.6
441.81680	0.2
447.22440	100.0
448.22797	13.6
472.18201	0.2
489.23520	14.3
490.23795	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	489.1628
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03337	0.6
58.00489	0.6
59.01264	13.6
69.03345	1.4
71.01270	15.9
71.01672	0.9
71.56167	0.8
72.99193	1.1
73.02837	2.0
76.92223	0.4
78.23295	0.4
81.03344	0.8
83.01279	0.8
85.02837	10.6
87.00778	2.5
89.02341	15.1
93.03362	2.6
95.01353	0.5
97.02848	1.6
99.00822	0.6
100.36459	0.4
101.02347	3.6
101.06042	0.6
106.04164	0.7
107.04942	4.7
109.02848	0.8
111.04420	1.2
113.02372	2.2
115.00267	0.6
125.02371	6.1
127.03935	1.9
129.01834	0.6
131.03407	3.8
135.03416	0.9
135.04451	18.6
136.04784	0.6
143.03433	0.9
146.04536	1.1
147.02927	1.9
147.06581	1.7
149.04506	6.6
171.02855	0.6
173.04488	1.3
191.05600	100.0
192.05939	4.0
233.06689	1.4
275.07947	0.6
293.08862	22.8
294.09311	1.2
315.10895	1.5
341.10974	0.5
354.15610	0.4
372.14981	0.5
429.14038	0.7
447.15164	0.7
489.16296	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	489.1836
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03344	0.5
59.01257	2.1
66.90069	0.4
69.39006	3.6
69.39407	0.8
71.01272	1.7
81.93216	0.4
85.02834	7.5
87.00770	1.8
89.02335	1.5
93.03350	2.9
109.02868	0.8
111.04422	0.8
113.02351	0.5
125.02337	0.7
127.03893	2.1
135.04443	0.9
161.42722	0.4
166.76933	0.4
173.04517	1.1
191.05583	100.0
192.05905	4.7
256.14865	0.4
293.08725	0.9
405.00793	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1989
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09591	0.9
58.00469	2.9
59.01264	100.0
59.26123	1.0
71.01271	31.7
72.99197	4.7
73.02838	30.3
73.55747	1.0
83.01273	2.7
85.02849	11.2
85.99980	1.0
87.00771	8.2
87.04401	3.2
89.01828	2.1
89.02336	26.8
97.02865	1.4
99.04382	1.8
101.02349	51.5
103.03916	19.8
109.02856	3.4
109.91408	1.1
113.02353	4.9
115.03931	6.1
119.03427	11.4
125.02367	3.6
127.03944	1.5
131.03426	12.8
133.02905	2.1
135.04472	4.8
136.04758	1.3
143.03458	11.7
145.05058	6.1
147.58229	1.1
150.03096	1.9
161.02428	7.1
161.04524	2.2
163.06082	81.1
164.06401	2.7
175.04056	1.1
179.03484	1.7
191.05669	1.8
198.74442	1.0
205.07143	21.2
206.07474	1.0
208.89558	1.0
218.14290	1.0
265.09268	6.6
265.25995	1.0
280.06937	1.1
325.11569	1.1
347.29477	1.2
361.90338	1.1
377.10721	1.4
429.17633	14.6
472.63284	2.5
489.14194	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	489.1627
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01786	1.2
57.03336	0.9
58.00488	2.6
59.01265	60.3
59.09402	0.5
60.01582	0.6
67.95189	0.5
69.03339	5.9
71.01271	72.9
71.13745	1.2
72.01605	1.4
72.99198	2.2
73.02835	6.3
81.03354	3.0
83.01263	3.5
85.02844	9.7
87.00759	2.7
89.02338	65.9
90.02674	1.1
92.22451	0.5
95.01297	2.0
97.02850	9.2
99.00790	2.1
101.02345	15.1
105.51246	0.4
106.04165	4.3
107.04938	22.4
108.02106	0.7
108.05258	1.4
113.02357	10.3
119.03404	2.3
120.89205	0.5
123.00817	0.5
123.04433	1.8
123.09756	0.5
125.02364	28.0
126.02734	0.9
126.28992	0.5
130.10168	0.5
131.03430	17.5
134.03702	1.0
135.04449	100.0
136.04782	4.1
139.03951	1.4
143.03450	3.5
149.04497	27.5
150.04889	0.9
167.03468	0.7
173.04527	0.7
191.05586	8.7
233.06700	5.5
265.07513	0.5
293.08856	75.5
294.09216	4.7
429.14185	2.1
430.14508	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1625
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01775	0.8
58.00479	2.3
59.01260	48.9
69.03341	4.7
71.01266	63.6
71.07745	0.8
71.08087	1.0
72.33050	0.5
72.99204	2.2
73.02840	6.1
81.03355	3.8
83.01268	3.8
85.02840	8.7
87.00817	1.3
87.64805	0.6
89.02333	69.7
90.02689	0.8
95.01291	1.3
97.02847	7.0
99.00784	1.3
101.02338	13.4
106.04157	2.8
107.04935	18.8
108.02058	0.9
108.05226	0.7
113.02356	8.4
116.14800	0.5
119.03434	3.5
123.04438	1.8
125.02364	29.0
131.03419	20.9
134.03593	0.9
135.04442	77.7
136.04811	3.4
138.03128	0.8
139.03914	1.1
143.03426	3.3
149.04494	30.8
149.11685	0.6
150.04817	1.1
156.05354	0.6
167.03496	1.2
173.04524	0.9
182.80392	0.5
191.05577	11.4
233.06631	6.5
293.08841	100.0
294.09122	7.7
337.07843	1.3
361.13824	0.6
429.14084	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	487.3068
Annotation	CHEBI:70313
Peak:m/z	Relative Intensity
55.50394	0.4
59.01270	3.5
71.01263	2.7
71.37274	1.2
73.02835	0.9
85.02867	0.8
89.02320	0.7
95.01260	0.5
96.95892	1.0
100.31585	0.4
101.02341	1.5
113.02332	1.3
119.04970	0.7
121.79823	0.4
133.02873	1.2
135.04453	2.6
146.63145	0.5
147.80083	0.5
161.02396	3.1
161.04507	1.0
179.03424	2.0
191.05533	1.7
203.03444	1.3
221.06589	0.6
281.06537	0.8
333.58908	0.4
341.70627	0.4
410.78735	0.5
451.32932	1.2
487.30670	100.0
488.30991	16.2
488.36508	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38083	0.3
59.01260	2.6
69.58321	2.5
69.58737	0.8
71.01254	0.9
78.95776	0.5
81.54449	0.4
96.47720	0.4
112.23486	0.5
117.03372	0.5
119.04893	0.5
128.34718	0.5
133.02858	1.5
135.04442	3.5
158.84735	0.6
161.02377	4.0
175.29588	0.5
179.03439	1.8
188.98700	1.6
191.00238	16.5
192.00566	0.6
203.97392	1.7
205.98970	9.0
207.96921	1.0
216.98180	7.5
222.99278	5.9
230.99731	4.9
231.96890	1.3
233.01320	14.7
234.01730	0.9
234.99269	18.8
235.99545	0.8
236.97269	0.7
237.97975	2.3
248.97229	8.4
249.97894	2.3
258.99268	8.1
260.97162	0.7
265.00323	1.5
267.09177	0.8
277.00357	63.7
278.00674	4.1
278.98230	0.8
293.08807	0.5
293.21286	0.8
315.16232	0.5
316.16937	0.4
331.15576	7.9
332.15897	0.5
342.02457	0.6
369.10199	0.8
429.12393	100.0
430.12695	13.7
489.14456	1.1
489.25235	0.5
489.33142	0.6
490.16052	0.8
490.25565	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2198
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39289	0.3
55.01782	2.1
57.03337	1.9
58.00482	2.8
59.01264	100.0
59.74271	0.3
60.01607	0.9
69.03342	1.7
69.37940	0.4
69.38284	3.5
71.01270	47.1
72.01614	0.7
72.99204	3.2
73.02837	16.5
75.00761	2.6
81.03350	0.8
83.01274	4.1
85.02840	23.4
87.00770	8.7
89.02336	41.6
90.02696	0.6
95.01288	3.9
97.02847	2.9
99.00781	6.9
99.01431	0.5
99.04384	0.3
101.02343	37.7
102.02686	0.7
109.48579	0.3
111.00764	0.5
113.02354	19.9
114.02745	0.7
115.03944	0.8
119.03416	15.0
119.04831	0.7
123.00803	0.4
124.01581	28.3
125.02424	4.1
131.03435	6.0
131.08626	0.5
133.02870	0.4
135.04382	0.6
143.03433	6.6
144.03804	0.5
145.72076	0.3
149.04501	3.7
149.09630	1.1
151.11227	1.1
154.61429	0.3
159.02917	0.5
161.02414	0.8
161.04509	5.6
163.03937	1.4
179.03665	0.5
179.03952	0.6
179.05574	4.2
191.05646	2.2
195.10251	1.3
203.05484	0.4
205.07291	1.6
209.11792	0.7
233.06683	1.4
259.13467	0.8
277.14432	2.0
283.09760	0.4
287.22183	0.7
295.15405	2.2
313.16629	13.1
314.16898	1.0
325.17023	0.4
355.17657	1.9
427.19815	13.3
427.25699	0.7
428.20038	1.2
445.20862	72.7
446.21182	9.7
449.27692	3.3
450.27753	0.4
451.28302	0.6
487.14804	0.6
487.21915	7.1
487.28467	0.7
488.22061	0.8
488.28488	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2199
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01769	3.3
57.03334	2.4
58.00471	1.7
59.01265	100.0
60.01602	2.0
69.03346	1.8
70.45320	1.8
71.01270	52.8
72.01608	0.7
72.99197	3.9
73.02837	25.8
74.03179	0.4
75.00760	3.2
79.63723	0.4
81.03371	1.4
83.01276	7.7
83.01767	0.4
83.04940	0.6
84.95018	0.5
85.02844	34.6
86.00026	0.9
86.03190	1.0
87.00775	9.8
87.04401	1.0
89.02339	24.9
95.01294	4.3
97.02857	3.7
99.00779	10.3
99.04416	1.0
101.02345	40.1
102.02688	0.9
113.02359	23.2
114.02711	0.6
114.08364	0.5
115.03953	0.8
119.03426	7.9
123.95104	0.5
124.01588	32.3
125.02399	6.0
129.01881	0.7
131.03433	5.5
135.04330	0.7
143.03447	7.7
149.04416	2.2
149.09639	1.7
151.11212	1.9
158.14340	0.4
159.02939	3.0
161.02420	0.9
161.04503	14.1
162.04921	0.6
179.05588	0.9
195.10255	1.1
205.07141	3.1
209.11842	0.7
211.19858	0.4
233.06627	1.5
259.13559	0.6
277.14511	1.5
295.15619	5.1
313.16638	31.9
314.16864	2.9
332.51724	0.5
355.17657	3.4
397.70645	0.5
427.19809	16.9
428.20044	2.9
445.20895	98.4
446.21222	12.5
486.52399	0.5
487.21765	7.1
488.22278	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1831
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48590	1.3
56.96493	1.0
57.03338	1.6
59.01265	44.4
61.98714	2.3
69.03346	1.6
69.80978	5.8
69.81384	2.1
71.01273	20.8
73.02831	29.3
78.95784	2.1
81.20187	1.0
81.78497	1.1
83.01286	4.1
85.02834	7.8
87.00780	3.8
89.02341	8.1
95.01297	1.8
96.95889	1.1
97.02857	1.9
97.06506	1.5
101.02352	19.1
113.02382	6.4
119.03463	5.3
119.04967	2.6
124.01563	1.3
125.02384	2.4
129.66676	1.1
133.02875	3.8
135.04453	7.3
140.25929	1.3
143.03441	1.1
145.02933	2.7
149.06071	2.6
161.02443	12.4
161.04492	34.9
163.03937	1.6
164.04750	4.7
177.05424	1.5
179.03528	6.0
179.05684	1.2
179.07137	4.0
203.03502	2.7
210.99969	1.3
281.06802	1.7
297.17160	1.2
307.08371	2.9
315.18188	100.0
316.18506	7.8
347.32935	1.2
357.19250	71.4
358.19562	6.5
384.62689	2.0
392.12241	1.9
410.65384	1.3
445.20981	1.8
472.14514	3.6
487.14734	2.0
487.33002	5.2
488.11911	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1832
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65335	2.1
57.80728	1.9
59.01265	44.6
61.98703	8.0
69.03347	2.9
71.01263	19.6
71.56879	2.9
73.02832	27.6
75.91991	2.2
78.95795	8.5
83.01302	3.1
85.02841	8.3
87.00768	3.7
89.02344	7.4
96.96875	4.2
101.02350	19.7
113.02352	4.8
119.03400	4.0
119.04974	2.9
133.02841	4.3
135.04424	13.1
149.06027	8.2
161.02446	12.4
161.04507	34.0
162.02731	2.9
179.03407	11.1
183.47197	2.1
190.77672	2.2
203.03494	5.4
281.06787	2.9
315.18185	100.0
316.18558	8.7
357.19214	44.1
358.19742	4.6
470.51443	2.2
487.15149	3.6
487.28403	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	487.1833
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87370	1.7
55.01780	2.1
55.79451	1.6
58.00475	2.5
59.01266	80.7
63.58708	1.6
69.03352	5.6
69.37380	16.5
71.01273	80.6
72.99190	2.4
73.02840	8.9
81.03357	4.8
83.01269	6.5
85.02852	13.2
87.00748	2.1
87.54196	1.8
89.02343	95.1
95.01268	2.3
97.02861	10.5
99.00800	4.9
101.02352	18.0
113.02358	12.0
115.03912	2.0
119.03381	3.4
119.04987	3.7
125.02374	34.6
131.03462	20.2
131.39049	1.7
133.02892	3.3
133.05504	2.7
133.06525	50.4
134.06900	1.7
135.04465	3.8
143.03459	4.4
149.04503	26.7
152.01088	7.5
161.02431	9.2
178.99934	2.2
179.03592	2.5
188.43515	1.9
191.05563	13.5
207.40665	2.0
208.00172	6.8
233.06723	9.5
291.25644	1.8
293.08878	100.0
294.09207	8.2
344.66046	2.1
354.15402	2.0
360.45889	2.0
427.15903	2.8
487.11127	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	487.1831
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01267	1.6
71.01280	0.8
73.02834	0.4
85.02843	0.4
86.87276	0.1
87.00773	0.2
89.02332	0.7
97.02838	0.1
101.02360	0.8
103.03919	0.4
104.34622	0.1
109.02883	0.2
119.03414	0.4
119.04900	0.1
125.02400	0.7
133.02869	0.4
134.03664	0.1
134.81702	0.1
135.04465	1.6
137.02353	1.2
138.03148	0.2
143.03450	0.2
149.06026	0.5
161.02406	1.6
163.03984	1.6
163.06055	0.6
164.04741	87.3
165.01952	0.1
165.05061	4.5
177.05534	0.8
179.03848	2.5
179.07101	100.0
180.07445	5.4
221.04556	1.1
233.16235	0.1
234.54816	0.1
243.21942	0.1
247.08240	0.2
251.05563	0.2
281.06723	1.9
305.06635	0.2
307.10449	0.5
323.07755	0.4
348.16266	0.1
357.63181	0.1
469.13242	0.2
487.18640	3.8
488.18698	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1471
Annotation	Cistanoside F
Peak:m/z	Relative Intensity
56.30871	0.3
57.09339	0.3
58.00470	0.4
59.01262	4.8
59.68087	0.3
65.00194	0.3
69.48074	1.6
69.48494	1.1
71.01262	3.0
72.99192	0.6
73.02831	2.5
75.00730	0.4
85.02839	1.0
87.00766	1.6
89.02333	1.3
93.03371	0.8
99.00762	0.4
101.02345	2.4
103.03896	0.8
107.01266	0.3
107.04919	0.6
107.31097	0.3
109.02871	0.6
113.02321	1.1
115.03876	0.5
116.92769	0.7
117.03391	0.8
119.04909	1.0
122.31831	0.4
123.04475	0.7
125.02375	0.7
131.03397	0.8
132.02087	1.3
133.02882	25.1
134.03479	1.2
135.04451	33.8
136.04796	1.5
137.02357	0.5
143.03430	0.7
148.05177	0.5
149.06007	1.2
151.00307	2.0
151.03951	1.3
161.02390	100.0
162.02733	5.3
163.04027	0.5
163.06129	0.5
169.01378	0.5
175.03963	0.9
177.05528	1.4
179.03461	43.6
180.03807	1.7
182.88159	0.3
191.05656	0.8
203.03520	2.9
205.07069	0.8
218.60672	0.3
221.04668	1.1
234.28719	0.3
289.38092	0.3
306.09134	0.4
313.09476	0.4
367.10721	0.4
388.42792	0.4
427.12527	0.8
443.15567	0.4
487.14813	19.3
488.15042	2.5
513.67114	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.126
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01774	0.5
57.03318	0.6
59.01268	7.9
61.98716	0.9
71.01269	7.4
71.56770	0.7
73.02837	2.1
73.75895	0.4
73.87063	0.5
83.01276	0.8
85.02833	3.2
87.00764	0.7
89.02353	1.7
91.05418	3.2
95.01330	0.6
99.00795	1.0
101.02340	3.2
101.03860	3.8
102.67064	0.4
105.03341	0.6
109.02886	0.7
113.02374	3.0
117.03391	3.5
119.04942	68.3
120.05289	2.7
121.02882	0.7
125.02336	0.5
131.03423	0.6
132.02090	1.6
133.02881	32.3
134.03581	1.6
135.04445	21.8
136.04799	0.6
137.02348	1.9
139.04031	0.5
145.02892	1.6
148.05267	0.6
149.06006	2.1
150.06358	0.7
159.04521	0.7
161.02388	100.0
162.02739	5.3
163.03955	21.1
164.04375	1.3
171.10216	1.0
175.03995	1.2
177.01968	0.6
177.05507	2.8
178.02730	0.7
179.03462	14.0
203.03577	2.3
211.17215	0.4
221.04596	2.9
240.50781	0.5
263.05536	0.8
281.06641	1.3
295.27509	0.5
308.50821	0.5
323.07776	25.0
324.08087	2.5
325.09375	16.0
326.09705	1.7
385.12085	0.8
392.12177	2.4
392.62158	0.9
443.13565	23.9
444.13907	4.1
451.19403	1.4
469.10745	0.6
486.27603	0.5
487.12439	28.8
487.25555	2.4
488.12900	4.0
488.28494	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2406
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03330	2.2
59.01265	100.0
60.81340	1.6
61.98713	6.7
71.01279	14.3
71.10083	1.4
71.56548	2.3
72.99176	2.3
73.02826	7.2
75.61825	1.5
78.95802	6.4
83.01327	2.3
85.02850	6.8
88.90965	2.0
89.02345	6.4
93.67820	1.9
95.01266	2.8
96.96844	5.6
99.00785	5.0
101.02362	8.8
102.50054	1.9
103.51137	1.6
113.02330	5.3
117.86055	1.6
119.03453	1.9
119.04892	1.9
120.01559	1.8
125.02312	2.2
133.02863	5.6
135.04451	5.8
143.03189	1.8
145.02808	2.5
146.81943	1.9
161.02399	12.4
161.04482	3.5
163.03989	2.5
163.57019	2.1
179.03491	3.7
199.04024	1.8
271.02539	8.8
272.02917	4.3
273.02963	3.5
299.01926	11.6
300.02551	8.5
301.02783	5.9
385.42984	2.4
392.12192	3.9
399.23837	5.8
443.19312	2.7
475.64355	2.2
484.66986	6.3
485.27261	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1102
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37722	0.3
58.00483	0.3
58.34950	0.3
59.01267	3.6
59.30541	0.3
60.99192	13.9
69.81670	1.0
69.82085	1.0
71.01270	1.2
72.99197	0.6
73.02825	0.8
79.27923	0.3
85.02862	0.3
87.00749	0.4
88.98700	100.0
89.02354	1.1
89.99050	1.1
101.02341	1.1
113.02337	0.7
117.03296	0.3
119.03426	0.4
119.04947	0.6
125.02339	0.3
133.02888	1.7
133.05000	1.1
135.04456	3.3
143.03500	0.4
145.02917	1.1
147.04480	0.4
148.05205	0.7
149.06020	55.5
150.03185	0.5
150.06322	3.6
156.58171	0.3
161.02406	5.6
162.02730	0.5
163.03952	0.9
179.03482	3.5
203.03535	0.9
207.19083	0.3
215.47224	0.3
221.04367	0.4
281.06921	0.6
307.19333	0.4
311.11542	0.6
314.30719	0.3
314.44427	0.3
353.12524	5.7
354.12839	0.9
356.00787	0.3
487.12137	0.5
487.17181	0.3
487.25708	1.8
487.63547	0.4
488.14252	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	483.2379
Annotation	Segetalin B
Peak:m/z	Relative Intensity
51.20763	9.3
59.01263	59.6
61.98711	21.8
68.26610	7.5
69.77235	25.7
69.77660	23.0
71.01263	19.4
73.02834	15.3
85.02822	12.9
89.02339	8.8
95.66539	7.1
98.19881	11.7
101.02334	19.3
125.02312	15.0
126.05526	10.0
135.04420	23.8
140.64934	7.0
145.00433	8.7
161.02367	30.1
168.06575	9.8
177.01738	11.3
179.03487	10.8
235.44962	8.2
294.58475	7.6
295.93994	7.3
400.12070	16.0
447.22092	8.8
483.23950	100.0
484.25934	37.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39163	0.2
57.27836	0.2
70.59764	0.5
70.60120	0.5
78.57182	0.2
78.95792	5.8
89.28569	0.2
96.96866	0.5
98.20551	0.2
98.78532	0.2
120.35052	0.2
125.71994	0.2
133.81326	0.2
152.99527	13.6
171.00597	0.9
227.03239	2.8
235.89319	0.2
237.22253	0.3
245.04373	1.3
252.11089	0.2
255.23332	100.0
256.23672	10.6
369.98907	0.3
388.73773	0.2
429.12686	0.3
483.27408	27.9
484.21298	0.4
484.27792	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	485.1676
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66436	0.1
55.01764	0.3
57.03335	0.4
59.01264	6.6
59.68222	0.1
65.34473	0.1
68.99724	0.1
69.03339	0.4
70.45179	0.4
71.01270	3.1
72.99197	0.2
73.02837	2.3
73.67258	0.1
75.00766	0.6
80.02606	0.1
81.03358	0.3
83.01290	0.7
85.02847	1.5
87.00773	0.8
89.02335	1.8
93.03332	0.2
95.01301	0.2
97.02840	1.3
99.00777	3.3
99.04423	0.5
101.02345	2.5
103.05480	0.1
108.02069	0.6
109.02860	0.6
111.00774	0.4
113.02369	1.2
115.03917	1.6
119.04922	0.2
121.02881	0.1
122.03635	0.7
125.02370	2.4
127.03938	0.4
130.04109	0.1
131.03453	0.6
131.04953	0.3
133.02824	0.2
135.04469	0.1
137.02388	0.2
139.03967	0.2
143.03438	1.7
147.04462	2.6
148.05266	2.1
149.06020	100.0
150.06357	5.4
161.02420	0.2
161.04500	0.5
164.04727	1.1
173.04524	0.5
175.06061	0.2
179.03409	0.1
179.07108	1.3
185.04501	0.2
191.05600	1.8
191.07158	0.3
205.07137	1.2
215.05562	0.9
233.06680	5.7
234.07085	0.3
257.06668	0.4
269.15674	0.1
270.56995	0.1
275.07675	2.3
276.08200	0.2
279.70010	0.1
293.08691	4.2
294.09229	0.2
311.11392	0.4
335.09882	3.8
336.10294	0.3
341.12555	0.3
353.12515	1.1
374.34525	0.1
425.14560	3.3
426.14963	0.4
443.15631	7.3
444.15967	0.8
485.16864	2.4
486.17264	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2015
Annotation	Verrucarin J
Peak:m/z	Relative Intensity
57.03331	2.3
59.01266	22.8
61.98710	6.3
71.01266	14.0
71.59267	4.8
73.02817	5.1
76.36485	2.7
82.42093	2.4
85.02835	8.5
89.02327	7.1
92.47263	2.4
99.68159	2.7
101.02359	15.0
103.61931	2.4
107.20174	2.3
113.02345	5.7
125.02341	5.6
125.69675	2.6
126.05539	3.3
133.02864	5.6
135.04445	3.6
149.04494	3.0
161.02344	6.6
161.04518	3.9
177.01869	3.3
179.03424	2.9
211.82253	2.5
223.89827	2.5
225.79912	2.7
258.55966	2.5
315.18143	3.3
447.22449	57.5
448.22672	7.8
475.09222	3.4
483.20117	100.0
484.20236	9.6
484.25583	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	483.2015
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20810	1.3
54.29633	1.3
59.01253	11.6
59.87718	1.4
61.98712	5.7
67.48196	1.3
69.29575	9.1
69.30011	6.7
71.00916	2.1
71.01261	10.8
73.02821	4.5
78.92654	1.4
78.95795	55.4
85.02858	4.5
87.00780	2.3
89.02333	5.2
96.96865	7.9
97.02815	1.7
99.00766	2.3
101.02342	5.7
113.02364	5.6
119.24866	1.7
133.02893	3.5
135.04419	4.7
139.88182	1.5
149.05998	1.9
150.97978	2.1
152.99524	100.0
161.02400	10.7
161.04477	4.7
162.02734	2.5
171.00580	4.2
179.03462	1.9
247.03003	1.5
291.18283	1.9
292.92346	1.5
299.02014	1.7
315.18121	2.3
332.13843	1.5
386.19955	1.5
392.62399	5.3
394.38065	1.5
411.97397	1.8
423.22565	1.9
447.22421	33.6
448.22858	3.8
482.68182	2.3
483.19394	19.4
483.23959	25.6
483.33682	3.2
484.20123	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2014
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18727	1.1
53.73713	1.0
56.84500	1.2
57.03356	2.1
59.01268	11.0
61.98711	2.3
71.01276	17.9
71.59200	1.8
71.59567	1.5
73.02820	5.7
78.95796	9.6
80.58179	1.0
83.01276	3.1
85.02847	7.0
87.00778	1.3
89.02336	6.6
94.69004	1.2
95.01291	1.3
96.96918	1.7
97.02854	1.1
98.43155	1.1
99.00792	3.6
101.02363	11.4
113.02348	11.5
119.03424	1.4
131.03442	1.7
133.02890	3.2
135.04453	5.8
143.03429	1.7
152.99515	17.4
159.02931	1.1
161.02420	6.7
161.04492	6.9
162.02701	1.2
179.03423	3.4
184.81224	1.3
211.31255	1.1
211.63640	1.4
271.02753	1.2
315.18137	5.2
378.95923	1.6
379.38113	1.2
392.12244	5.9
447.22476	100.0
448.22781	15.0
483.18793	11.4
483.68832	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2668
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59757	0.4
55.01758	1.4
57.03328	1.8
58.00484	1.2
59.01267	54.1
61.23212	0.4
61.98709	2.0
69.03333	0.7
71.01275	17.7
72.01584	0.6
72.99188	1.6
73.02842	7.1
75.00764	0.8
83.01270	3.0
85.02346	0.8
85.02843	11.5
86.00000	0.7
87.00774	2.2
89.02338	6.0
93.03359	4.4
95.01278	1.0
99.00783	2.9
101.02347	16.2
104.89740	0.4
109.02859	1.1
111.00740	0.6
113.02354	8.8
115.20021	0.5
117.03381	1.7
119.03426	1.9
119.04948	0.9
121.02888	0.9
123.04476	0.6
125.02335	1.3
129.01826	0.8
129.09093	0.7
133.02892	3.0
134.03326	0.5
135.03426	0.8
135.04451	11.9
136.04807	0.7
137.02367	1.0
143.03450	0.9
145.02876	4.5
146.03233	1.3
147.04440	0.5
148.90880	0.5
149.02402	0.6
150.03220	0.9
151.03882	0.5
153.01820	0.6
161.02385	9.1
161.04427	2.4
161.54683	0.5
162.02696	1.5
163.02870	0.5
163.04054	0.6
166.05029	1.7
169.01477	0.6
173.04521	1.3
175.04001	0.7
179.03429	3.6
191.05592	13.7
192.05905	3.1
193.06023	0.6
226.06392	0.8
227.07106	2.6
228.07587	1.2
243.06676	1.9
244.06978	1.1
259.19189	1.9
290.30258	0.5
301.20316	1.3
315.10883	1.7
319.21301	1.0
348.17429	0.6
348.96725	0.5
349.17703	1.2
371.62393	0.5
378.61804	0.9
392.12158	1.2
394.84897	0.5
404.68719	0.5
421.24896	2.4
422.25024	1.0
461.16870	1.3
463.25656	3.0
480.64410	5.2
481.15106	3.1
481.26675	100.0
482.27023	13.6
482.34259	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2664
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01772	1.3
57.03331	1.3
57.94399	0.4
58.00484	0.5
59.01267	46.7
61.98713	1.4
69.03357	0.5
69.32151	4.2
70.82491	0.4
71.01271	19.6
72.01627	0.6
72.99178	2.0
73.02843	5.9
75.00768	1.3
75.49743	0.4
81.03366	0.5
81.09994	0.4
83.01280	2.5
85.02840	10.2
87.00776	3.0
89.02337	6.6
91.00268	1.4
93.03371	4.5
94.03716	0.6
95.01279	1.7
97.02887	0.8
98.20521	0.8
99.00797	2.1
101.02346	16.3
102.02685	1.1
103.03852	0.5
109.02874	0.6
111.00794	0.9
113.02370	8.2
114.02682	0.6
116.05904	0.4
117.03384	1.8
119.03442	2.5
119.04951	1.2
121.02911	0.9
123.04473	0.8
125.02383	1.0
129.01834	0.7
131.03453	0.6
133.02888	2.4
135.04463	11.5
136.04774	0.8
137.02408	0.7
141.08998	0.4
143.03439	1.0
145.02898	6.7
146.03227	1.5
149.02353	0.8
150.03146	0.6
151.00345	0.9
151.03896	0.8
159.02870	0.7
161.01080	0.8
161.02415	9.6
161.04466	2.3
162.02818	1.0
163.02748	0.6
164.77151	0.4
165.05472	0.5
166.05121	2.3
173.04517	1.6
179.03473	3.2
179.05577	0.5
179.98752	0.4
180.03847	0.6
191.05588	18.8
192.05937	4.5
193.05998	0.6
196.24869	0.5
203.03491	0.6
226.06445	0.7
227.07127	3.1
228.07501	1.2
243.06621	2.4
244.07056	0.8
259.19260	1.5
301.20309	1.4
304.92029	0.4
315.10983	2.6
316.44351	0.4
319.21317	1.0
349.17773	1.2
363.10696	0.5
365.08786	0.5
378.11728	0.6
378.61487	0.5
392.12158	0.8
421.24722	2.9
461.16379	0.9
462.17264	0.8
463.25620	2.9
480.64160	6.3
481.14926	5.3
481.26678	100.0
481.64914	0.7
482.27045	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	481.2582
Annotation	Unknow
Peak:m/z	Relative Intensity
69.98776	2.4
69.99181	0.9
70.25908	0.5
78.95793	36.6
96.96854	3.3
144.45142	0.6
152.99527	55.7
153.99895	0.6
171.00594	15.4
174.69308	0.5
207.09105	0.5
217.11574	0.5
227.03297	4.5
245.04352	100.0
246.04677	3.6
253.21764	65.6
254.22093	5.8
255.10257	0.5
256.23654	0.8
408.26929	0.5
434.88287	0.6
442.25650	0.5
481.25827	52.7
482.26248	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	481.258
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62959	0.5
51.98226	0.5
55.13511	0.5
60.24266	0.5
62.96299	0.6
63.17185	0.5
70.90641	1.1
78.95324	1.0
78.95787	21.2
96.96869	2.0
112.55953	0.5
133.78641	0.5
141.91913	0.5
150.97931	0.7
152.99524	52.0
164.95370	0.6
171.00592	14.8
213.72768	0.5
219.06427	0.5
227.03250	3.6
245.04341	100.0
246.04648	3.8
253.21754	62.2
254.22089	5.7
481.25809	47.2
481.32932	0.9
482.26175	8.3
497.66107	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.251
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83044	0.3
53.64554	0.3
59.01267	100.0
60.01604	1.3
61.98713	0.6
67.09271	0.3
69.69421	2.2
71.01282	0.8
78.95799	0.6
85.02848	0.5
87.04411	3.2
101.02354	0.4
117.36298	0.3
119.04974	0.8
121.02859	0.9
125.67234	0.3
145.02911	0.9
148.33617	0.3
152.99529	0.8
161.02354	0.7
163.03996	0.5
211.07753	0.5
217.00296	0.4
253.08986	0.4
265.08780	0.3
377.21976	0.6
435.22110	0.4
479.21414	1.0
480.22507	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2295
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	4.5
69.46656	5.5
71.01278	4.6
74.07515	0.6
78.95799	13.6
89.02335	6.2
96.96830	0.8
98.20640	0.9
101.02360	2.1
104.77525	0.6
117.03371	5.5
119.03394	0.9
119.04936	1.9
121.02859	2.3
127.38676	0.7
140.32582	0.6
143.03517	0.7
145.02890	35.3
146.03236	2.1
152.99545	2.3
162.03192	1.3
163.03894	1.0
171.00581	3.8
179.05560	2.5
254.03770	0.6
258.66589	0.6
273.38553	0.6
274.19943	0.7
281.24985	0.6
299.16595	100.0
300.16940	11.6
479.29974	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	479.2451
Annotation	Vedelianin
Peak:m/z	Relative Intensity
54.62629	0.5
59.01265	2.2
61.43201	0.4
66.23637	0.6
68.38888	0.5
69.29182	0.5
72.17593	0.5
73.02841	0.5
78.95789	2.6
80.96198	0.8
85.02831	1.5
87.04450	0.4
87.59856	0.5
93.03354	1.0
97.06491	2.7
98.20509	0.9
108.02007	0.5
117.03419	0.6
119.04939	1.6
121.02876	22.9
122.03127	0.6
123.04470	0.6
129.03358	0.6
133.02853	1.6
134.03668	0.9
135.04419	1.5
137.02441	0.5
145.02884	2.3
146.03662	2.4
147.04457	6.7
148.05258	5.3
150.03139	0.7
159.04456	0.5
160.01569	0.6
161.02350	1.3
162.03116	1.3
163.03941	1.5
164.04214	0.6
172.05186	1.2
173.02391	1.4
173.06036	7.1
174.03178	10.7
174.06303	0.5
175.03902	1.7
175.07570	0.7
187.03847	0.7
191.03511	0.5
192.04240	1.7
196.03821	0.7
198.04279	0.5
199.03880	0.7
200.04630	0.6
201.05431	0.5
211.07513	0.7
212.04750	0.8
217.04968	0.7
227.07106	0.9
231.50659	0.5
236.08386	0.9
237.09254	1.2
239.10777	1.1
247.11053	0.5
249.09206	2.1
249.12808	1.2
250.09833	1.2
251.10764	5.9
252.11328	1.3
253.08661	0.7
263.07217	0.8
265.12378	7.2
266.12851	1.1
267.13968	23.0
268.14273	2.7
269.15433	0.5
275.10669	0.9
277.08722	2.0
278.09625	1.1
279.09946	0.5
279.23285	1.3
280.23657	5.1
281.08252	0.6
281.24020	3.8
282.24203	3.3
291.10324	1.0
293.11896	8.5
294.12054	0.7
295.13452	0.8
299.16623	1.0
309.11249	0.8
311.12967	14.1
312.13211	2.1
313.14566	0.9
315.15967	2.0
346.14032	0.8
346.29337	0.6
361.54904	0.5
385.16721	1.2
389.96561	0.5
417.24313	0.5
435.21939	0.8
478.28696	0.9
479.24399	100.0
480.24789	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	479.2463
Annotation	Unknow
Peak:m/z	Relative Intensity
57.17816	0.1
59.19205	0.1
68.85773	0.1
70.51339	0.1
70.51684	0.3
78.75385	0.1
83.72343	0.1
91.01794	0.1
93.03366	0.3
95.01267	0.1
98.19878	0.1
106.83315	0.1
108.02110	0.4
117.03396	0.2
119.04939	0.6
120.05311	0.1
121.02876	100.0
122.03214	4.0
131.04971	0.1
134.03743	0.4
135.04491	0.5
145.02875	0.8
146.03242	0.3
147.03415	0.1
147.04474	0.3
149.06029	0.1
159.04506	0.1
161.02405	0.3
162.02713	0.1
163.03987	0.2
177.05492	0.2
188.04764	0.2
193.12360	0.1
193.63988	0.1
265.08740	0.1
266.09500	0.2
270.41519	0.1
281.11960	0.3
299.16592	0.8
300.17273	0.1
313.18176	0.3
332.16086	0.1
333.16406	0.2
479.19855	0.8
479.25900	1.0
480.25378	0.2
498.42004	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	479.2089
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82257	0.2
64.05552	0.2
64.35655	0.2
71.50356	0.5
79.55043	0.2
83.01247	0.3
93.03353	1.7
93.25647	0.3
109.78049	0.3
117.03377	5.0
119.04945	67.4
120.05280	2.9
121.02872	3.0
123.04435	0.5
132.02170	0.4
133.02866	0.9
135.04546	0.6
143.04988	1.4
144.05725	0.5
145.02890	14.2
145.06544	3.4
146.03255	0.9
159.04448	0.5
161.02383	1.3
162.02794	0.9
163.03958	100.0
164.04298	5.8
189.05576	0.6
274.21390	0.3
313.14581	0.3
315.16077	25.7
316.16422	2.9
333.16809	0.6
409.31558	0.3
479.20499	17.9
480.20926	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80343	0.1
53.96020	0.1
59.01263	0.2
61.98718	0.2
68.80000	0.1
69.99497	0.1
70.64345	0.3
70.64738	0.5
78.59354	0.1
83.01284	0.3
93.03356	2.0
109.02883	0.2
117.03378	4.6
117.04189	0.3
118.03634	0.2
119.04946	67.0
120.05280	3.1
121.02873	4.5
123.04440	0.6
130.04164	0.4
132.02153	0.2
133.02899	0.3
134.03682	0.2
135.04503	0.7
143.04968	1.0
144.05788	0.3
145.02887	12.9
145.06525	2.7
146.03217	1.0
146.06882	0.2
159.04460	0.4
161.02361	0.1
162.83878	0.5
163.03958	100.0
164.04286	5.6
164.83559	0.7
166.45979	0.1
175.03842	0.2
181.04941	0.3
188.04741	0.4
188.08412	0.2
189.05556	0.5
253.15933	0.3
271.17044	0.2
315.16080	24.7
316.16446	2.4
333.17004	0.4
396.12268	0.2
460.67282	0.2
479.20782	18.4
480.21106	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	479.0862
Annotation	Gossypin
Peak:m/z	Relative Intensity
51.79139	0.8
59.01262	7.3
61.98711	2.0
64.47626	0.9
65.00196	1.8
69.55505	1.8
69.55830	7.2
71.01266	3.2
72.99209	1.0
81.03323	1.3
81.15973	0.9
83.01280	2.1
85.02836	1.5
87.00760	1.0
89.02332	1.9
93.03364	1.3
95.01276	1.4
98.20554	1.2
101.02345	1.7
107.01254	2.1
109.02881	5.4
110.00008	2.3
111.00783	3.0
123.00821	2.4
123.04433	1.6
124.01549	1.3
124.97699	0.8
125.02327	2.1
133.02885	16.9
134.03177	6.4
135.03424	2.4
135.04433	9.4
136.04790	2.7
136.98743	1.6
137.02420	1.4
137.04953	1.2
139.00287	4.7
139.03900	1.0
149.02376	1.3
151.00304	6.2
152.01051	4.0
153.01846	1.7
161.02382	42.3
162.02724	24.2
163.00290	3.3
163.02919	14.1
164.01062	1.2
165.01697	0.8
165.99004	2.5
166.99809	2.5
167.03380	2.7
168.03760	1.2
174.03156	1.2
175.03920	2.1
177.01790	1.0
178.99779	8.0
179.03410	2.8
180.00343	0.8
180.03850	1.0
183.04428	1.4
187.03961	2.2
191.05466	1.3
193.01387	1.3
199.03922	2.7
201.01910	1.7
203.03384	2.2
206.99327	1.1
209.04430	1.8
214.02597	1.4
215.03432	3.3
216.04376	1.0
226.02692	1.5
227.03435	3.7
231.02975	3.4
241.01517	0.8
242.02203	2.2
243.03091	7.9
243.12204	0.9
255.02974	3.3
259.02493	2.9
270.01691	4.6
270.99759	1.6
271.02554	25.4
272.03143	6.9
273.04004	3.9
287.01996	10.9
288.02737	7.2
298.01270	1.9
299.02026	25.0
300.02408	2.0
316.02298	46.0
317.03046	29.1
318.03635	1.3
329.09470	1.2
343.06506	1.9
357.09802	1.9
358.10098	1.8
359.10468	4.9
364.34344	1.1
369.04657	1.6
387.10638	1.0
389.11353	3.5
398.95123	0.9
435.09763	1.6
438.74448	1.1
461.07028	1.4
478.14380	3.0
479.08276	100.0
479.14700	49.9
479.25333	2.5
480.08646	14.7
480.15005	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	479.1337
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03335	0.3
58.00486	0.3
59.01264	3.8
61.98725	1.5
62.42703	0.2
71.01272	3.5
71.04913	0.2
72.99191	0.6
73.02857	0.7
75.00768	0.3
83.01276	0.4
85.02853	0.9
87.00783	0.7
89.02344	3.1
93.03367	0.9
95.01287	0.4
99.00774	0.7
101.02345	2.4
108.02120	0.3
109.02891	0.4
113.02386	1.2
115.03944	0.3
119.03421	0.6
119.05006	0.2
121.02859	0.6
122.03665	0.4
123.04430	0.8
125.02386	1.2
131.03403	0.6
133.02898	1.4
134.03699	0.3
135.04460	1.5
136.01555	0.4
137.02362	1.8
143.03473	0.3
147.04417	0.7
148.05231	0.9
149.06032	100.0
150.03230	1.2
150.06360	5.1
151.03978	1.7
160.39748	0.3
161.02425	2.4
162.02808	0.4
165.05518	0.3
167.03459	0.3
179.03499	2.2
179.66026	0.2
183.08832	0.2
191.05542	0.5
197.01408	0.3
209.04567	0.3
233.06667	0.3
239.05684	1.0
285.20825	0.4
290.15973	0.3
293.08859	4.6
294.09335	0.4
299.02179	0.4
299.07855	0.4
299.18716	1.6
303.21835	1.6
313.09494	0.7
322.15744	0.3
360.09534	1.0
392.12424	0.3
440.62598	0.4
443.15686	20.3
444.16052	2.8
461.24265	0.9
479.14383	1.0
479.25204	8.5
479.64102	0.3
480.11230	4.2
480.25955	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2952
Annotation	PE(18:1(9Z)/0:0)
Peak:m/z	Relative Intensity
61.21169	0.2
70.07384	0.8
74.08372	0.2
78.07838	0.2
78.95795	17.7
96.96862	1.1
140.01117	1.9
145.02808	0.2
152.99529	3.2
171.00578	3.1
194.86884	0.2
196.03763	1.1
214.04857	2.8
281.24918	100.0
282.25278	10.5
282.28503	0.4
346.14487	0.2
428.36884	0.2
478.29504	22.3
479.23834	0.2
479.29803	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	477.2353
Annotation	Glu-Leu-Phe-Ala
Peak:m/z	Relative Intensity
54.60991	0.4
55.01775	3.2
56.49136	0.5
57.03333	3.1
58.00480	0.8
59.01268	32.3
60.01597	0.7
61.98703	0.5
64.53819	0.5
67.01764	0.5
69.03355	0.6
70.33545	1.5
70.79400	0.4
71.01271	53.2
72.99196	1.9
73.02837	16.6
79.32485	0.4
83.01276	9.8
84.02073	0.7
85.02848	24.7
86.03222	0.7
87.00781	2.6
89.02341	11.9
95.01283	5.9
97.02296	0.5
97.02874	1.8
99.00782	7.0
101.02350	44.7
102.02671	0.9
102.05398	0.4
113.02364	25.3
114.02695	0.6
119.03425	3.3
125.02368	2.0
129.01808	0.9
131.03387	1.2
133.16422	0.5
143.03418	2.9
159.02925	4.6
161.02368	1.5
161.04509	27.2
162.04820	0.4
171.65524	0.5
179.05586	1.9
221.06696	1.1
251.50011	0.5
315.18210	21.7
316.18497	1.7
329.85516	0.5
375.95773	0.5
477.23547	100.0
478.23889	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	477.3232
Annotation	Dolicholide
Peak:m/z	Relative Intensity
57.03337	7.8
59.58216	0.2
62.24133	0.2
63.02286	0.3
65.00238	0.3
70.87505	0.2
70.87846	0.4
77.34589	0.2
81.03350	1.6
83.01278	8.9
84.01610	0.3
84.31719	0.2
91.14787	0.2
98.20384	0.2
99.86718	0.2
105.03362	0.3
105.79565	0.2
107.01286	0.6
121.02891	0.7
123.04421	1.0
125.02367	100.0
126.02691	3.2
145.02896	0.4
149.02382	1.4
151.00336	0.4
161.02356	0.3
167.03448	1.6
198.97780	0.2
233.26314	0.2
351.29166	2.8
352.29501	0.3
376.13666	0.2
434.02972	0.2
459.31342	0.3
477.32297	15.3
478.32663	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	477.2293
Annotation	Oblongixanthone C
Peak:m/z	Relative Intensity
54.23979	0.5
58.90140	0.5
59.01263	1.0
71.57379	0.6
80.65945	0.5
108.02078	2.1
115.05413	0.6
117.03370	1.0
119.04945	0.7
121.02872	2.2
122.03658	9.8
123.04515	3.3
123.05257	0.7
124.01572	2.2
131.04961	2.1
133.02907	1.8
133.06592	0.7
137.02403	2.4
145.02899	2.1
149.02399	1.9
150.03160	3.0
154.02664	3.2
157.02907	1.2
158.03665	3.2
159.04468	14.9
160.04816	0.7
161.02394	1.8
163.03960	0.7
164.04770	1.3
165.05547	2.3
168.37817	0.5
173.06009	1.0
175.03947	3.1
185.02370	3.1
203.03505	2.2
235.07982	0.7
237.05618	0.5
238.03053	0.5
263.07401	1.2
264.07928	1.6
279.10394	1.1
283.26334	0.6
286.20163	0.5
297.11359	0.6
299.16544	1.2
312.17456	0.8
313.17978	2.6
314.18808	0.6
323.09305	22.9
323.20166	0.7
324.09686	2.0
325.18048	0.6
339.16089	13.9
340.16406	1.4
344.16342	2.3
354.18460	0.7
415.19406	0.8
444.19513	1.1
445.20169	1.4
477.22977	100.0
478.23285	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	477.2352
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01771	6.1
57.03341	4.4
58.00485	2.3
59.01264	62.4
60.01589	0.9
61.98717	2.1
69.03329	1.2
71.01270	74.1
72.01609	2.3
72.99221	3.7
73.02837	22.7
75.00764	1.4
81.03372	0.9
83.01276	15.6
84.02071	0.7
85.02842	36.9
86.03156	1.1
87.00784	4.1
89.02337	25.3
95.01278	6.1
95.72931	0.7
97.02844	2.1
98.19764	1.7
99.00780	8.8
101.02347	79.4
102.02698	2.1
104.39893	0.6
113.02358	37.7
114.02721	1.1
117.03402	3.4
119.03431	9.2
119.04923	1.4
125.02372	2.5
131.03432	2.1
133.02892	2.7
135.04472	2.0
143.03435	6.8
145.02888	16.3
146.03250	0.9
149.04533	1.7
159.02979	6.1
160.19778	0.6
161.02489	4.8
161.04501	31.4
162.04831	1.5
179.05547	6.9
180.53142	0.7
205.03566	1.5
206.63460	0.6
208.08145	0.6
221.06662	3.4
271.02667	0.9
299.02151	1.1
300.02777	0.7
314.04950	0.9
315.18179	41.2
316.18628	4.0
359.17419	0.7
372.02969	0.8
417.25012	1.9
477.23514	100.0
478.23862	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	477.1988
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	0.7
57.03339	0.7
57.77274	0.5
59.01265	92.1
60.01606	1.3
69.78925	2.5
71.01268	11.9
72.99190	0.4
73.02840	4.0
79.23582	0.4
83.01298	1.1
85.02839	4.4
87.00768	0.8
89.02348	2.4
98.19875	0.7
98.90904	0.5
99.00779	1.6
101.02343	8.0
103.03899	1.0
113.02348	5.1
119.03412	1.8
121.02872	9.7
133.04968	2.9
135.04445	1.3
143.03476	1.0
153.05624	0.4
157.04982	0.8
159.02945	1.5
161.04503	18.1
162.04839	0.6
166.06308	83.4
167.06641	5.0
181.08662	100.0
182.09006	7.5
205.03552	0.6
235.08252	13.2
236.08521	0.5
417.17776	12.9
418.18256	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2142
Annotation	Divaricin B
Peak:m/z	Relative Intensity
55.01766	1.3
59.01268	8.9
61.98712	1.6
71.01267	3.4
71.58237	0.9
72.99247	0.6
73.02848	1.2
78.91764	0.5
78.95814	0.9
80.98724	0.5
83.01273	1.0
85.02837	3.1
89.02331	0.7
101.02361	3.5
113.02343	1.7
117.03374	14.5
118.03715	0.6
119.04942	4.2
121.02840	1.7
123.04402	0.6
133.02869	1.9
135.04454	1.3
137.02332	0.6
145.02887	52.4
146.03220	1.8
152.78358	0.5
152.99516	1.1
161.02383	5.5
162.02887	0.7
163.03940	5.4
164.04308	0.5
179.03430	0.9
301.48798	0.6
315.16095	13.8
316.16397	1.7
335.72098	0.6
449.27899	0.5
452.75156	0.5
476.67209	1.9
477.21399	100.0
477.66998	0.6
478.14822	1.0
478.21732	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	477.1928
Annotation	Garcinisidone E
Peak:m/z	Relative Intensity
51.43505	0.1
56.50788	0.1
62.10803	0.1
71.06257	0.3
71.06607	0.1
78.95792	0.4
89.03871	0.2
93.03318	0.2
117.03379	23.0
118.03696	1.1
119.04942	24.5
120.05257	1.2
121.02875	0.8
123.04430	0.4
133.02838	0.2
145.02890	100.0
146.03226	4.7
152.99519	0.7
160.84181	0.2
162.03181	0.2
162.83852	0.4
163.03955	16.9
164.04266	0.7
189.05553	1.3
260.99893	0.1
265.05191	0.2
283.13477	2.7
284.13873	0.2
313.14532	4.8
314.14886	0.5
331.15564	3.8
332.15939	0.3
357.13589	0.2
412.97318	0.1
477.19269	66.3
478.19626	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	477.193
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01298	0.2
54.15574	0.2
57.43570	0.2
67.29622	0.2
68.73173	0.2
71.15955	0.2
71.16297	0.5
78.95799	0.4
94.26402	0.2
100.98046	0.2
104.86983	0.2
117.03380	24.4
118.03674	1.1
119.04944	23.1
120.05284	0.9
121.02876	0.9
123.04439	0.3
126.48105	0.2
145.02892	100.0
146.03223	4.9
147.04445	0.4
149.82967	0.2
152.99506	0.9
160.84169	0.9
162.03168	0.4
162.83839	3.1
163.03958	17.6
164.04259	0.7
189.05534	1.3
283.13483	2.0
284.13837	0.4
313.14539	4.6
314.14981	0.3
315.16031	0.3
331.15555	3.3
332.15753	0.3
477.19278	60.8
477.99869	0.3
478.19659	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	477.193
Annotation	Unknow
Peak:m/z	Relative Intensity
70.60709	0.5
70.61069	1.0
78.95796	1.0
80.96219	0.5
98.20470	0.4
105.79578	0.4
117.03384	13.8
118.03710	0.5
119.04948	27.0
120.05287	1.4
121.02858	2.2
123.04465	0.7
132.02132	0.6
133.02882	12.2
134.03674	2.0
135.04494	2.7
137.02356	1.7
145.02892	72.7
146.03214	3.6
161.02393	42.1
162.02774	1.8
163.03957	22.9
164.04337	1.2
165.20222	0.4
174.03235	0.9
178.02756	0.7
179.03462	1.7
216.36203	0.3
231.96709	0.4
247.09773	0.4
261.20285	0.4
313.14572	3.4
315.16074	2.0
319.30829	0.4
324.52533	0.4
331.15576	41.4
332.15903	5.0
357.13416	0.5
477.19238	100.0
478.19611	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	477.1929
Annotation	Garcinisidone E
Peak:m/z	Relative Intensity
50.30927	0.3
50.67910	0.3
65.24907	0.3
72.46476	0.3
73.62971	0.4
100.16542	0.3
117.03375	9.0
118.03712	0.5
119.04931	1.7
121.02871	0.7
132.02100	0.5
133.02882	17.8
134.03714	3.1
135.04462	4.5
137.02380	2.4
139.03972	0.8
139.11226	0.4
145.02890	64.0
146.03215	3.6
161.02388	57.4
162.02713	2.9
163.04002	1.0
176.12167	0.4
176.82344	0.3
178.02684	0.8
179.03442	2.8
235.36638	0.3
263.03674	0.3
280.45587	0.4
292.42371	0.4
313.14520	1.1
315.16098	2.5
316.16345	0.4
326.55942	0.3
331.15573	55.1
332.15894	5.6
346.93967	0.4
474.84143	0.3
477.19284	100.0
478.19635	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	477.193
Annotation	Garcinisidone E
Peak:m/z	Relative Intensity
59.01270	2.8
69.59093	0.3
71.01275	0.3
71.57895	0.4
72.92081	0.3
74.26118	0.3
75.00758	0.4
79.59705	0.3
80.65494	0.3
85.02858	0.3
86.61314	0.3
89.02298	0.3
108.00153	0.3
117.03377	24.4
118.03683	0.8
119.04940	6.2
121.02887	1.8
123.04471	0.8
133.02898	0.9
135.04471	0.6
138.80548	0.3
145.02890	100.0
146.03232	4.5
149.06049	2.4
152.99597	0.3
160.84212	0.6
161.02373	2.1
162.03172	0.6
162.83823	1.5
163.03967	4.9
171.10263	0.3
189.05644	0.4
313.14590	1.8
331.15564	8.6
332.15921	1.3
343.24948	0.6
477.19287	93.6
478.19647	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	477.1624
Annotation	nonacene
Peak:m/z	Relative Intensity
52.83618	1.0
55.01771	1.1
57.03327	1.2
58.00489	0.9
59.01263	24.1
69.03329	1.8
69.36329	10.0
71.01275	17.5
72.99190	3.7
73.02837	11.7
74.46062	1.1
75.00761	2.0
79.13828	1.0
83.01273	1.8
85.02852	9.0
85.99988	2.2
87.00774	11.6
87.04404	3.6
88.01064	1.3
89.02341	9.6
95.75605	0.9
96.35862	1.0
99.00784	4.7
101.02352	16.5
103.03907	3.6
113.02360	6.4
115.03909	4.1
119.03410	4.7
121.02953	1.3
123.04482	5.7
124.02451	1.0
129.01823	1.2
131.03419	9.1
135.04399	1.3
143.03447	9.7
143.36617	1.0
145.04994	1.6
149.02417	2.2
150.03130	4.4
151.03969	29.6
152.04271	1.6
153.05481	1.3
159.03006	1.8
163.06116	9.3
181.08667	1.0
201.79100	1.1
205.07150	10.1
206.07393	1.3
245.06610	1.9
247.08295	2.5
261.59409	1.0
279.33267	1.0
331.10440	1.9
349.28357	1.4
398.34528	1.0
459.15039	1.1
477.16214	100.0
478.16641	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	477.1931
Annotation	Garcinisidone E
Peak:m/z	Relative Intensity
54.17657	0.2
56.97033	0.2
61.98702	0.4
70.71049	0.7
93.03344	0.6
101.06014	0.4
117.03383	29.8
118.03735	0.7
119.04948	75.0
120.05279	3.2
121.02883	2.7
123.04452	1.1
132.05722	1.3
133.02852	0.5
136.78233	0.2
142.91963	0.2
145.02892	100.0
146.03217	4.6
160.84225	1.2
162.03214	1.4
162.83876	3.5
163.03961	27.3
164.04265	1.4
164.83554	0.6
203.10745	2.1
205.05522	0.2
211.07664	0.5
223.87628	0.2
247.09789	5.2
248.10149	0.5
277.25800	0.2
313.14520	11.7
313.55212	0.2
314.14978	1.3
331.15686	1.1
356.10422	0.2
357.13562	7.7
357.18079	0.4
358.13782	0.8
442.31256	0.3
477.19284	95.3
478.19620	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	477.1624
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93908	1.9
52.27215	1.5
58.00477	2.6
59.01265	48.8
66.16281	1.7
69.03345	7.3
70.13834	6.6
71.01270	63.5
73.02830	2.9
81.03377	2.7
83.01285	4.0
85.02847	9.6
87.00783	2.3
89.02338	72.1
95.01292	1.9
95.04947	2.8
96.95909	2.2
96.96878	2.3
97.02837	4.7
99.00750	2.2
101.02327	13.7
113.02377	8.6
114.50469	1.6
118.97958	2.5
119.03442	3.6
123.04449	73.4
124.04755	2.0
125.02367	29.5
131.03441	20.7
143.03432	2.3
149.04515	33.5
191.05623	10.7
210.28499	1.6
233.06696	6.2
293.08850	100.0
294.09204	8.1
294.59952	1.7
363.71603	1.8
417.14072	2.9
442.94351	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	477.1413
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64705	0.4
57.91412	0.3
59.01265	5.9
62.32197	0.3
66.81916	0.4
69.69407	1.7
69.69824	0.9
71.01258	2.9
85.02846	0.9
89.02332	3.1
101.02341	3.2
113.02339	1.2
117.03363	0.7
119.03433	1.6
123.04375	0.5
132.02087	1.1
133.02881	25.0
134.03186	1.1
135.04445	12.8
136.04767	0.5
137.02460	0.4
145.02817	0.4
157.20810	0.4
161.02388	100.0
162.02742	5.5
169.05084	0.4
177.05519	0.8
179.03444	2.7
186.91521	0.3
221.04590	1.0
251.05418	0.5
281.06757	0.7
286.82919	0.4
315.10944	3.4
353.10062	0.4
396.37692	0.4
459.78641	0.5
477.14117	70.2
478.14404	10.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1415
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94582	0.1
52.66024	0.1
59.00993	0.2
59.01269	3.4
69.47564	0.8
69.47973	0.3
71.01273	1.9
73.02831	0.1
77.03878	0.2
83.01267	0.2
84.66539	0.1
85.02841	0.3
87.00781	0.2
89.02334	1.5
99.59447	0.1
101.02347	2.1
105.03397	0.4
113.02377	0.9
117.03394	0.3
119.03423	0.9
123.04475	0.3
125.02458	0.1
132.02110	1.2
133.02885	24.2
134.03191	0.9
135.04453	10.6
136.04814	0.4
153.05551	0.2
161.02396	100.0
162.02734	5.2
175.03841	0.2
179.03490	0.7
180.03828	0.2
205.03572	0.2
249.07813	0.3
261.07880	0.2
297.09875	0.2
315.10898	1.0
341.08798	1.5
342.09244	0.3
477.14133	43.1
478.14468	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	477.1624
Annotation	Scroside D
Peak:m/z	Relative Intensity
52.83618	1.0
55.01771	1.1
57.03327	1.2
58.00489	0.9
59.01263	24.1
69.03329	1.8
69.36329	10.0
71.01275	17.5
72.99190	3.7
73.02837	11.7
74.46062	1.1
75.00761	2.0
79.13828	1.0
83.01273	1.8
85.02852	9.0
85.99988	2.2
87.00774	11.6
87.04404	3.6
88.01064	1.3
89.02341	9.6
95.75605	0.9
96.35862	1.0
99.00784	4.7
101.02352	16.5
103.03907	3.6
113.02360	6.4
115.03909	4.1
119.03410	4.7
121.02953	1.3
123.04482	5.7
124.02451	1.0
129.01823	1.2
131.03419	9.1
135.04399	1.3
143.03447	9.7
143.36617	1.0
145.04994	1.6
149.02417	2.2
150.03130	4.4
151.03969	29.6
152.04271	1.6
153.05481	1.3
159.03006	1.8
163.06116	9.3
181.08667	1.0
201.79100	1.1
205.07150	10.1
206.07393	1.3
245.06610	1.9
247.08295	2.5
261.59409	1.0
279.33267	1.0
331.10440	1.9
349.28357	1.4
398.34528	1.0
459.15039	1.1
477.16214	100.0
478.16641	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	477.141
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	0.3
59.00996	0.3
59.01268	4.9
61.98708	0.3
69.86719	1.2
71.01267	2.4
73.02834	0.3
77.99049	0.2
83.01307	0.2
85.02859	0.8
87.00780	0.3
87.51218	0.2
89.02334	1.6
95.01310	0.2
95.04941	0.2
101.02342	1.5
105.03358	0.4
107.04931	0.5
113.02363	1.0
115.01747	0.3
117.03408	0.6
119.03438	0.8
123.04439	1.2
132.02084	1.3
133.02881	33.7
134.03278	1.0
134.03580	0.9
135.04445	19.9
136.04791	0.9
137.02341	0.4
153.05547	0.5
161.02388	100.0
162.02727	5.2
179.03462	11.1
180.03853	0.7
221.04497	0.2
245.65460	0.2
271.02496	0.5
285.04190	0.4
297.09839	0.3
299.01953	0.3
314.04416	0.4
315.05243	0.7
315.10858	1.2
323.07553	0.2
357.09756	0.5
387.10889	0.5
402.32199	0.2
477.14127	72.0
478.14487	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	477.1413
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26070	0.2
55.01785	0.3
57.03312	0.3
59.01265	4.5
63.23996	0.2
68.99691	0.4
71.01270	2.0
71.08443	0.5
71.43336	0.2
72.55490	0.3
73.02850	0.3
81.03349	1.9
83.01273	1.7
85.02847	1.0
89.02326	1.5
93.03340	1.2
95.01288	0.4
95.04918	1.3
97.02837	0.7
99.00745	0.2
99.04427	0.7
101.02336	1.7
105.03378	0.3
107.04944	0.6
108.02112	0.2
109.02850	0.5
111.00746	0.3
111.04415	0.4
113.02348	1.5
117.03357	0.4
119.03437	0.8
119.04948	1.8
121.02872	1.3
123.00773	0.3
123.04441	5.1
125.02360	1.8
132.02084	1.2
133.02882	27.1
134.03253	1.1
135.04446	14.6
136.04807	0.8
137.02373	0.8
137.06032	1.5
139.03922	1.7
147.04445	0.8
149.02386	0.4
149.05991	0.4
150.03157	0.3
151.03995	0.5
153.05513	0.7
161.02388	100.0
161.97023	0.2
162.02725	5.3
163.03915	1.2
164.04596	0.4
165.01886	0.5
165.05534	1.5
166.02716	0.4
167.03448	6.4
168.03856	0.3
175.03926	0.3
177.05550	0.6
179.03458	6.4
179.07104	0.2
180.03888	0.7
181.05043	0.6
189.05559	1.7
191.03477	0.4
193.05014	0.8
197.04515	0.5
203.03444	0.3
207.06633	0.7
209.04543	8.0
210.04883	0.4
221.04567	1.3
223.06250	0.3
229.08698	0.6
233.04581	0.3
235.06412	0.3
239.05606	1.8
249.07822	0.3
251.05652	0.9
263.05792	0.3
285.49277	0.2
297.09509	0.3
315.08508	2.9
316.09116	0.3
327.08807	1.6
329.10379	0.2
341.09149	0.8
342.08823	0.3
357.09866	18.3
358.10196	2.2
369.09912	0.4
372.20389	0.2
387.10965	12.4
388.11334	1.8
399.10864	0.5
421.70520	0.2
459.13083	0.8
477.14111	47.4
478.07724	0.5
478.14505	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	477.1049
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01256	1.0
64.10459	0.4
67.87415	0.5
69.37752	3.1
69.38158	1.0
71.01242	0.5
83.01258	0.5
98.20518	0.6
100.74883	0.3
107.01298	0.5
133.02841	1.7
135.04462	0.9
151.00310	2.8
153.01886	0.6
159.04616	0.4
161.02406	5.1
171.04440	0.5
178.99702	0.4
179.03421	0.7
199.03951	3.1
215.03474	3.3
226.02605	0.7
227.01241	0.7
227.03392	3.6
228.03954	0.5
229.01378	0.7
231.06277	0.4
242.02213	8.3
243.03003	34.9
244.03377	2.5
255.02994	0.8
257.04581	11.3
258.04947	0.6
270.01758	8.4
271.02509	35.3
272.02826	2.9
285.04102	21.3
286.04810	8.1
287.05276	0.8
299.02032	7.4
299.38358	0.4
300.02716	4.0
314.04385	45.6
315.04993	11.3
357.06253	1.0
371.10992	0.4
477.10397	100.0
478.10828	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	477.141
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	0.3
59.00996	0.3
59.01268	4.9
61.98708	0.3
69.86719	1.2
71.01267	2.4
73.02834	0.3
77.99049	0.2
83.01307	0.2
85.02859	0.8
87.00780	0.3
87.51218	0.2
89.02334	1.6
95.01310	0.2
95.04941	0.2
101.02342	1.5
105.03358	0.4
107.04931	0.5
113.02363	1.0
115.01747	0.3
117.03408	0.6
119.03438	0.8
123.04439	1.2
132.02084	1.3
133.02881	33.7
134.03278	1.0
134.03580	0.9
135.04445	19.9
136.04791	0.9
137.02341	0.4
153.05547	0.5
161.02388	100.0
162.02727	5.2
179.03462	11.1
180.03853	0.7
221.04497	0.2
245.65460	0.2
271.02496	0.5
285.04190	0.4
297.09839	0.3
299.01953	0.3
314.04416	0.4
315.05243	0.7
315.10858	1.2
323.07553	0.2
357.09756	0.5
387.10889	0.5
402.32199	0.2
477.14127	72.0
478.14487	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	475.3074
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23571	0.4
57.03337	7.1
59.01252	0.4
71.06674	1.0
80.65372	0.4
81.03351	1.9
83.01279	9.1
107.01278	0.4
121.02880	0.9
123.04478	1.3
125.02367	100.0
126.02700	3.1
149.02409	1.7
151.00366	0.7
167.03453	1.6
222.42616	0.4
242.62517	0.5
265.25446	2.7
307.26422	0.5
349.27588	2.6
475.30746	12.3
476.31137	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	476.2793
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55626	0.3
70.46252	1.2
72.40864	0.3
78.95797	15.2
96.96838	0.8
98.20496	0.3
120.01035	0.3
140.01103	2.1
152.99544	2.7
171.00557	1.9
176.00404	0.3
196.03815	1.0
214.04861	3.2
279.23352	100.0
280.23697	10.9
476.27975	16.3
477.28143	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	476.2794
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	0.4
62.96283	0.4
70.82642	0.3
78.95793	21.5
91.22471	0.1
96.47881	0.1
96.96848	0.2
117.79297	0.2
119.04941	0.7
122.00040	0.7
134.98419	0.3
135.04465	0.2
140.01118	6.4
145.02850	0.4
152.99512	2.4
161.02377	0.3
163.03960	1.2
166.02719	0.2
171.00502	0.2
177.39598	0.1
179.03593	0.2
196.03773	10.8
197.04059	0.2
214.04860	2.6
261.22256	0.5
279.23340	100.0
280.23682	10.3
359.41492	0.2
476.27933	32.4
477.19653	0.5
477.28320	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	475.2562
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26669	0.3
55.51261	0.3
59.01265	100.0
59.77407	0.3
60.01602	0.8
61.98717	0.7
69.25904	0.3
69.57224	2.2
71.01269	4.8
72.00606	0.3
73.02828	1.8
83.01293	0.7
83.04919	0.3
84.04475	0.4
85.02840	1.7
87.00787	1.1
89.02339	3.9
95.01295	0.4
99.00803	0.3
101.02350	4.1
101.58103	0.3
106.06552	0.5
107.04914	0.3
109.02934	0.3
111.00792	0.3
113.02361	2.4
117.03382	0.3
118.98026	0.3
119.03425	1.5
123.04501	0.4
125.02390	0.6
131.03462	0.5
132.08293	0.3
133.02881	1.9
135.04451	3.3
136.07668	0.4
143.03427	0.7
147.02925	0.3
147.08141	0.5
151.11215	0.5
160.11284	1.2
161.02397	5.1
161.04445	1.7
162.02707	0.6
167.03470	1.9
171.10278	1.4
175.04007	0.3
177.05534	0.4
179.03452	2.0
179.05626	0.8
181.05093	0.3
183.10146	2.1
192.99742	0.6
194.11880	2.0
203.03537	1.1
204.10286	0.3
221.06676	0.3
222.11385	3.9
233.99475	0.3
240.12428	7.9
253.09254	1.7
269.12012	0.7
311.09805	0.5
341.15466	0.3
383.11917	0.8
392.12265	6.9
392.62363	2.2
415.23553	2.5
475.16980	2.1
475.67554	1.2
476.21515	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	475.256
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	0.7
57.03332	1.2
58.00477	1.3
59.01264	100.0
60.01605	1.7
61.01677	0.9
61.98717	2.9
69.26370	5.1
71.01270	20.5
71.04955	0.5
72.99211	2.0
73.02836	4.2
83.01283	2.1
85.02841	7.3
87.00777	3.1
89.02337	18.8
93.03354	0.5
95.01311	1.2
97.02858	0.8
99.00797	1.4
101.02344	15.2
102.02697	0.5
107.04941	1.0
109.02820	0.6
111.00759	0.5
113.02351	8.4
117.03362	0.6
119.03426	9.6
119.04903	2.7
121.02919	1.1
123.04463	0.9
123.47157	0.5
125.02380	1.1
127.03996	0.5
129.01840	0.5
131.03450	2.3
132.02094	0.6
133.02887	4.6
134.03696	1.0
135.04453	9.6
136.04898	0.7
137.02362	0.9
137.22437	0.5
143.03432	2.4
145.02917	1.2
148.05246	1.2
149.02377	0.6
149.04529	1.1
149.06018	2.8
150.03192	0.6
154.98143	0.4
159.02980	0.8
160.01735	0.7
161.02394	16.0
161.04449	6.3
162.02864	1.3
163.03999	1.9
163.07683	1.2
175.04050	1.9
177.05577	1.2
179.03500	5.7
179.05609	7.7
179.06952	0.6
183.10239	2.5
185.11812	1.0
203.03442	2.3
221.04710	0.8
221.06644	3.7
238.06718	0.7
263.07773	0.5
303.14700	0.7
311.09570	7.4
311.59906	1.8
313.16846	1.2
319.59726	0.7
383.11935	2.1
383.62128	0.5
392.12256	20.3
392.62454	7.1
393.12686	1.3
397.22559	1.0
415.23471	6.6
416.24243	0.9
475.16510	3.3
475.22229	3.3
475.28552	2.9
475.67416	2.7
476.18018	2.1
476.23657	0.7
476.29324	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1831
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48162	0.4
59.01267	30.5
59.33926	0.4
64.83439	0.4
69.71204	1.9
71.01262	2.1
72.46834	0.4
72.99209	0.5
73.02850	0.6
75.80183	0.4
85.02840	0.4
89.02341	1.6
101.02361	1.3
107.55814	0.3
113.02296	0.5
119.03444	0.4
121.02826	0.9
135.04428	0.9
138.20496	0.4
146.03680	19.9
147.04086	1.1
152.53128	0.5
161.02414	0.5
161.04523	1.4
161.06012	9.2
162.06351	0.6
164.04744	15.3
165.05107	0.7
179.07103	100.0
180.07458	6.0
415.16132	1.9
475.18127	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	475.1832
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02642	0.9
54.40850	1.0
55.01789	1.1
57.03340	2.8
58.00476	3.2
58.87499	1.1
59.01264	100.0
61.98727	8.7
71.01271	61.9
71.57109	1.6
71.57470	1.2
72.99211	4.7
73.02837	9.2
75.00788	2.6
83.01283	4.3
85.02846	16.8
87.00778	7.3
89.02336	72.0
90.02673	1.8
95.01313	2.7
97.39846	1.2
99.00800	14.9
101.02345	43.2
111.00816	1.6
113.02357	28.5
119.03420	31.4
121.02838	2.1
125.02406	2.3
131.03416	15.8
133.02882	2.2
133.05016	1.8
134.06049	3.3
135.04454	4.2
143.03430	4.2
148.03987	3.2
149.02405	2.6
149.04494	23.8
149.05988	3.3
150.06442	2.0
151.04030	1.6
161.02415	7.2
161.04480	10.7
179.03459	1.7
179.03752	1.8
179.05562	18.4
191.05597	33.4
191.53270	1.1
233.06657	24.1
234.07091	1.5
267.11389	1.3
283.11853	5.5
293.08789	1.3
295.10910	5.2
311.10178	1.5
313.11847	1.2
377.61005	2.4
415.16174	65.0
415.23062	2.9
416.16846	7.7
475.17587	10.4
476.17648	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	475.147
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00471	2.3
59.01267	35.1
62.07120	1.7
69.03345	2.2
69.34039	1.8
70.72141	1.9
71.01273	31.7
71.57959	1.9
72.99198	12.3
73.02837	14.2
75.00787	4.5
83.01277	3.1
85.02852	10.6
85.99976	2.1
87.00774	13.4
87.04414	4.1
87.49222	2.2
89.02335	25.0
93.03331	3.0
94.92712	1.9
99.00774	6.4
99.93555	1.8
101.02354	21.4
103.03902	2.6
107.05003	2.6
109.02866	4.7
113.02370	7.9
115.03915	3.2
118.35576	2.2
119.03414	7.5
121.02882	55.8
123.04491	5.7
125.02351	5.9
131.03415	13.6
135.04462	14.0
137.02373	3.7
138.03110	2.7
139.03923	6.2
143.03412	9.4
145.04980	2.1
149.02391	100.0
149.04384	4.4
150.03206	13.8
151.03993	3.5
159.02982	1.9
163.06105	7.2
167.03473	8.4
169.05038	8.7
179.07121	3.3
191.03506	2.1
191.05618	2.4
205.07184	12.0
233.06714	2.6
274.30899	1.9
293.08902	11.3
329.08789	3.0
409.75995	2.5
475.14728	43.7
476.15353	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	475.1781
Annotation	Garcinisidone D
Peak:m/z	Relative Intensity
52.40826	0.2
54.62141	0.2
59.01265	0.8
71.11285	0.3
71.59432	0.4
75.08193	0.3
78.95800	0.4
91.40179	0.2
97.29104	0.2
113.17450	0.2
117.03380	24.2
118.03670	1.1
119.04953	5.7
121.02893	0.7
132.05769	0.4
145.02895	100.0
146.03223	5.2
158.84659	0.3
160.84166	19.2
162.83920	0.2
163.03981	4.2
164.04303	0.3
196.73051	0.2
245.03047	0.3
257.64551	0.2
265.08780	0.7
285.15076	0.5
315.16055	0.3
329.09650	0.3
329.13974	3.3
330.14313	0.3
367.94345	0.2
399.74567	0.2
415.11459	0.5
475.17743	54.9
476.00641	1.2
476.18106	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	475.1468
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	4.8
71.01273	3.8
71.56404	1.1
87.00770	1.2
89.02351	4.1
101.02377	1.3
107.04930	0.9
113.02342	0.9
115.59181	0.8
121.02872	100.0
122.03202	4.1
125.02341	1.4
131.03391	1.2
135.04491	4.1
137.02373	1.3
149.02414	2.1
149.04514	1.0
154.61412	0.7
167.03391	0.9
284.17545	0.7
293.08765	2.6
367.39926	1.0
475.14346	1.1
490.16412	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1469
Annotation	Unknow
Peak:m/z	Relative Intensity
57.58778	1.3
59.01266	31.8
71.01277	24.7
71.55898	1.2
72.99203	18.8
73.02837	10.8
75.00760	3.4
77.44526	1.3
83.01276	1.6
85.02842	10.6
85.99991	3.6
87.00775	17.2
87.04411	3.7
89.02333	12.0
93.03366	3.2
95.01286	2.4
97.02852	1.6
99.00780	10.2
101.02338	16.6
103.03910	5.4
105.01824	1.7
109.02861	4.7
113.02378	8.6
115.00240	1.5
115.03915	4.6
119.03411	6.8
119.82007	1.2
121.02876	46.6
123.04445	7.8
131.03442	10.9
135.04430	3.2
137.02457	2.2
138.03152	3.4
139.03967	3.0
141.01857	1.4
143.03430	10.2
145.04922	2.7
148.01581	1.9
149.02388	100.0
150.03217	15.2
151.03937	3.6
153.05531	3.2
159.02969	1.7
161.04565	1.7
163.03917	1.5
163.06068	10.2
165.01898	2.5
166.02626	3.7
167.03424	5.1
169.05032	5.5
179.07074	2.6
205.07120	7.0
209.04480	1.5
225.45746	1.4
233.06741	2.8
244.70595	1.3
247.08289	5.0
329.08850	4.3
356.38327	1.4
475.14645	41.9
476.15228	15.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2638
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01261	2.2
62.96275	0.3
71.01259	0.3
71.58776	0.5
75.25354	0.2
76.88046	0.2
78.95795	25.2
83.04939	0.2
98.02721	0.2
104.97363	0.3
117.03331	0.4
119.04939	1.0
122.00022	0.9
133.02827	0.6
134.03609	0.3
135.04416	0.7
137.02319	0.5
140.01117	7.8
145.02899	1.8
148.57504	0.2
152.99513	2.3
160.84164	0.4
161.02347	1.5
163.03947	0.9
166.02650	0.4
179.03456	0.5
187.17934	0.2
196.03784	14.2
197.04163	0.5
202.09595	0.3
209.12747	0.2
214.04872	3.3
216.87144	0.3
233.22804	0.5
259.20663	0.6
261.08530	0.2
275.20236	0.7
277.21780	100.0
278.22131	12.9
278.25330	0.3
311.12881	0.8
329.13974	1.6
474.26370	39.4
475.17725	4.6
475.26688	5.8
475.31738	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1466
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03662	0.2
52.30510	0.2
57.03330	0.7
59.01263	5.3
65.00206	0.6
66.88979	0.2
71.01267	2.6
71.57237	0.4
72.99190	0.4
73.02841	0.6
81.03346	3.8
83.01271	2.3
85.02846	1.1
87.00775	0.8
89.02338	2.0
93.03353	1.0
95.01270	0.4
95.04924	1.0
96.95890	0.3
97.02863	0.5
98.90557	0.2
99.00764	0.4
99.04449	0.3
101.02345	1.1
102.96830	0.2
107.01273	0.3
107.04959	0.3
109.02902	0.6
113.02357	0.9
119.03355	0.4
119.04963	0.6
121.02857	0.8
123.04440	33.1
124.04790	1.3
125.02363	5.7
127.05049	0.3
131.01318	0.4
131.03416	0.3
133.02896	1.0
134.03635	0.3
135.04465	2.3
137.02385	1.2
137.05981	0.3
139.03941	0.5
149.02409	1.3
151.00290	1.2
151.03943	1.3
161.02374	2.9
162.02765	0.4
162.05606	0.6
163.03918	1.2
163.05942	0.6
165.01807	0.4
166.02657	0.5
167.03450	100.0
168.03801	4.5
173.02339	0.3
175.00345	1.1
179.03406	1.5
180.04128	0.5
181.05026	3.1
181.08701	0.7
191.03477	19.6
192.03806	1.0
203.03494	0.3
209.02719	0.5
209.04549	6.6
210.04955	0.3
221.04584	1.3
221.33159	0.3
233.04593	0.9
254.06012	0.3
269.08182	0.5
270.11481	0.3
282.35818	0.3
300.52618	0.3
364.11676	0.8
378.11411	3.9
378.61600	1.8
383.82056	0.3
415.23758	0.4
462.28204	0.3
475.14679	41.7
476.14999	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	474.2636
Annotation	Unknow
Peak:m/z	Relative Intensity
56.22790	0.2
59.01261	1.0
64.81291	0.2
66.84734	0.2
69.70455	1.8
70.40368	0.3
78.95795	17.0
79.43746	0.2
96.96866	0.8
111.01622	0.2
117.05449	0.2
122.00092	0.2
140.01114	2.5
152.05038	0.2
152.99541	2.0
161.76630	0.2
171.00552	1.5
196.03809	1.2
214.04860	3.2
240.04219	0.3
275.20062	0.5
277.21780	100.0
278.19025	0.5
278.22119	9.4
356.52286	0.3
474.26364	19.5
475.26730	3.0
490.12146	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2406
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69590	0.2
56.85221	0.2
57.03323	0.4
59.01263	100.0
60.01603	1.1
61.98716	0.9
65.46459	0.2
71.01267	4.7
71.57841	0.3
73.02824	1.5
76.85872	0.2
83.01276	0.8
85.02836	2.9
87.00787	0.5
89.02332	1.2
95.01282	0.3
96.95911	0.3
99.00811	0.5
99.08119	0.2
101.02340	2.6
113.02361	1.7
117.03380	0.2
119.03405	0.5
124.01704	0.2
125.02418	0.3
129.09111	0.2
133.02870	0.6
135.04445	0.6
149.06001	0.7
159.02881	0.2
161.02412	1.4
161.04491	0.9
161.73735	0.2
169.07695	0.5
179.03383	0.3
179.05687	0.2
191.03484	0.3
194.09767	0.2
208.63750	0.2
223.12431	1.2
223.94295	0.2
249.10426	0.2
260.44443	0.2
267.11453	2.5
268.11816	0.2
288.99252	0.2
309.12695	0.3
311.10306	0.5
311.22232	0.5
329.23355	0.4
359.80078	0.2
371.20676	0.4
413.21960	0.7
426.53873	0.2
473.16537	1.7
473.27759	11.0
474.16470	0.5
474.28174	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58299	0.6
55.01707	3.6
57.03269	2.5
58.00418	1.3
59.01199	27.9
59.01531	2.7
69.03296	0.9
70.39857	0.7
70.44094	1.2
71.01273	37.5
71.01640	2.1
72.01554	1.0
72.99123	1.8
72.99502	0.6
73.02840	10.5
75.00734	1.1
83.01271	6.3
84.01962	0.6
85.02849	17.5
87.00775	3.2
89.02340	8.2
91.05372	0.7
91.44337	0.5
93.03356	1.0
95.01270	3.7
97.02818	1.0
99.00790	5.4
101.02348	30.4
107.21415	0.5
111.00780	0.6
112.62635	0.5
113.02364	15.6
119.03443	3.5
119.04911	2.0
121.02873	3.8
121.75617	0.5
123.00742	1.1
123.04389	1.1
124.01582	4.6
125.02322	1.9
129.03391	0.9
131.03391	1.4
133.02867	2.9
135.04428	4.5
137.02357	2.3
137.05986	1.5
137.44299	0.5
137.65436	0.6
143.03459	2.7
145.09734	0.5
146.03552	0.5
147.04472	7.3
149.06013	10.0
150.03162	2.3
159.02933	3.6
161.02431	8.5
161.04504	16.8
162.04787	0.6
163.03920	1.8
163.06105	1.1
164.04784	2.7
165.01973	2.6
165.05531	100.0
166.05901	5.4
179.03517	1.9
179.05569	2.7
191.05685	1.3
205.03581	1.0
216.92451	0.5
221.06732	2.6
263.07785	1.3
285.04352	0.7
305.82629	0.6
311.15057	8.2
312.15714	1.0
323.08087	0.8
392.13367	0.8
453.87875	0.6
473.21222	31.2
473.63446	0.8
474.21652	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	473.24
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84859	0.1
59.01264	100.0
60.01596	1.1
60.46704	0.1
69.72572	0.9
70.55421	0.1
71.01266	0.9
73.02833	1.0
83.01272	0.1
85.02843	0.2
87.68737	0.1
89.02362	0.4
95.01247	0.1
101.02356	0.9
113.02361	0.4
116.52924	0.1
119.03426	0.1
131.03429	0.1
149.06046	0.2
160.01755	0.1
161.02382	0.4
161.04535	0.4
164.02168	0.1
175.04010	0.2
213.82552	0.1
228.16316	0.2
329.97937	0.2
335.05579	0.1
341.02655	0.2
392.12384	0.1
472.65271	0.3
477.37323	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	473.1676
Annotation	Unknow
Peak:m/z	Relative Intensity
58.01947	0.1
59.01271	0.2
59.49373	0.1
66.27264	0.1
71.01250	0.1
91.78002	0.1
108.02079	0.2
110.09895	0.1
119.04920	0.1
121.02899	0.1
122.03661	0.2
123.03918	0.1
130.04041	0.1
134.03661	0.1
147.04439	0.5
148.05261	0.8
149.06021	100.0
150.06354	5.0
171.94135	0.1
175.04042	0.1
188.41934	0.1
211.32002	0.1
311.11432	18.7
312.11801	2.0
376.48163	0.1
493.62460	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	473.1678
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01676	0.7
55.01917	0.6
57.03239	0.8
58.00404	0.4
59.01147	13.2
59.01481	4.3
59.01683	0.6
69.58291	1.2
69.58722	1.3
71.01154	14.9
71.01591	2.5
72.99110	0.7
73.02719	5.1
73.03166	0.6
83.01167	2.5
84.63523	0.3
85.02732	8.1
85.03289	0.7
87.00655	0.9
87.95786	0.3
89.02234	4.1
91.05333	0.5
93.03255	1.0
95.01294	1.5
97.02742	0.5
98.19860	0.6
99.00666	2.0
101.02349	12.0
101.02965	0.5
103.03854	0.3
105.03245	0.4
108.02019	0.5
109.02787	0.6
113.02363	7.1
115.00191	0.3
119.03333	1.3
119.04943	1.6
121.02876	4.7
121.06457	0.5
123.00722	1.2
123.04353	1.2
124.01580	4.6
125.02317	0.7
126.01315	0.3
129.03345	0.4
131.03427	0.8
131.23264	0.3
133.02811	1.3
135.04451	3.3
137.02406	2.0
137.05949	1.3
143.03392	1.2
145.02849	0.3
147.04453	6.5
148.04767	0.4
149.02371	0.4
149.04843	0.5
149.06018	7.5
150.03183	2.4
150.06396	0.6
159.02902	1.3
161.02417	5.3
161.04491	7.7
163.03969	1.3
163.06082	0.8
163.07457	0.3
164.04735	1.7
165.01892	2.6
165.05524	100.0
166.05882	4.6
177.05470	0.5
179.03503	0.9
179.05695	1.6
179.07076	0.5
191.05661	0.7
205.07330	0.5
221.04886	0.4
221.06892	1.1
311.11847	0.4
311.15063	4.2
323.08316	0.9
331.58557	0.3
454.63260	0.5
456.25153	0.3
473.07822	0.8
473.21878	13.0
474.22018	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	473.1675
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37040	0.6
55.01765	1.8
55.40055	0.6
57.03336	1.8
57.34983	0.6
57.40890	0.6
58.00484	2.3
59.01265	84.6
60.01612	1.5
64.45309	0.6
67.20998	0.6
69.03346	2.4
71.01270	49.9
71.57191	1.0
72.01612	1.4
72.99197	5.2
73.02837	22.4
75.00759	3.6
81.03345	1.2
83.01269	5.7
85.02843	14.1
87.00771	22.5
87.04399	1.4
88.61481	0.6
89.02337	53.2
90.02696	0.9
95.01299	2.8
97.02850	7.2
99.00777	10.2
101.02347	57.0
102.02682	1.1
103.03927	1.9
113.02360	26.4
115.03927	3.2
119.03445	18.1
119.04940	31.7
120.05310	1.5
121.02863	0.9
124.01586	4.5
125.02370	14.4
127.03912	1.0
128.03409	0.6
131.03427	10.7
133.02873	0.7
134.03697	1.4
135.04454	3.5
137.06015	32.7
138.06378	1.7
143.03438	12.8
147.04454	22.3
148.04796	1.0
149.04517	6.0
149.05916	3.6
161.02402	2.9
161.04495	6.2
163.06116	2.3
165.05504	6.1
173.27977	0.7
175.11440	0.6
177.05588	0.9
179.03474	1.3
179.05603	2.7
179.07063	1.9
187.18265	0.6
191.05582	4.9
191.99449	0.6
195.06616	2.6
195.39713	0.6
203.03470	0.8
205.07213	6.0
233.06671	1.9
245.08247	10.6
251.64502	0.7
253.66762	0.7
263.09235	1.7
281.10349	13.9
282.10544	0.8
299.11395	16.4
300.11816	0.9
311.09680	1.1
341.12430	8.8
342.12399	0.8
392.12473	4.5
392.62500	1.2
413.14612	64.6
414.14957	7.6
431.15662	98.7
432.16077	11.7
473.16730	100.0
473.65549	1.1
474.17099	14.7
484.70071	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2972
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	2.0
69.54359	4.1
69.54774	2.0
76.21735	0.7
81.31168	0.7
105.33295	0.8
136.49774	0.8
179.37994	0.7
193.07140	0.8
203.15770	0.8
216.03041	1.1
277.21790	100.0
278.22168	10.8
354.18542	0.8
471.34769	2.4
472.17786	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	473.1678
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01676	0.7
55.01917	0.6
57.03239	0.8
58.00404	0.4
59.01147	13.2
59.01481	4.3
59.01683	0.6
69.58291	1.2
69.58722	1.3
71.01154	14.9
71.01591	2.5
72.99110	0.7
73.02719	5.1
73.03166	0.6
83.01167	2.5
84.63523	0.3
85.02732	8.1
85.03289	0.7
87.00655	0.9
87.95786	0.3
89.02234	4.1
91.05333	0.5
93.03255	1.0
95.01294	1.5
97.02742	0.5
98.19860	0.6
99.00666	2.0
101.02349	12.0
101.02965	0.5
103.03854	0.3
105.03245	0.4
108.02019	0.5
109.02787	0.6
113.02363	7.1
115.00191	0.3
119.03333	1.3
119.04943	1.6
121.02876	4.7
121.06457	0.5
123.00722	1.2
123.04353	1.2
124.01580	4.6
125.02317	0.7
126.01315	0.3
129.03345	0.4
131.03427	0.8
131.23264	0.3
133.02811	1.3
135.04451	3.3
137.02406	2.0
137.05949	1.3
143.03392	1.2
145.02849	0.3
147.04453	6.5
148.04767	0.4
149.02371	0.4
149.04843	0.5
149.06018	7.5
150.03183	2.4
150.06396	0.6
159.02902	1.3
161.02417	5.3
161.04491	7.7
163.03969	1.3
163.06082	0.8
163.07457	0.3
164.04735	1.7
165.01892	2.6
165.05524	100.0
166.05882	4.6
177.05470	0.5
179.03503	0.9
179.05695	1.6
179.07076	0.5
191.05661	0.7
205.07330	0.5
221.04886	0.4
221.06892	1.1
311.11847	0.4
311.15063	4.2
323.08316	0.9
331.58557	0.3
454.63260	0.5
456.25153	0.3
473.07822	0.8
473.21878	13.0
474.22018	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2247
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21006	0.3
55.01785	0.4
57.03341	1.6
58.50206	0.3
59.01266	100.0
60.01606	1.3
61.98728	1.0
69.23478	0.6
69.23887	3.8
71.01269	5.1
72.26920	0.3
72.99236	0.4
73.02856	1.6
73.64896	0.3
79.76334	0.3
80.96413	0.7
83.01288	0.6
85.02863	1.5
87.00788	0.5
89.02357	1.1
90.61794	0.3
93.03386	0.4
95.04951	0.5
99.00815	0.5
101.02352	2.6
108.84564	0.3
113.02389	1.6
113.06965	0.3
117.03404	1.5
119.04947	7.4
119.05737	0.6
120.05225	0.6
124.01612	0.8
124.62690	0.3
125.02406	0.7
131.03470	0.4
133.02965	0.9
133.06520	7.6
133.07451	0.5
134.06866	3.8
135.04488	2.1
135.07214	1.7
139.03981	1.1
143.03412	0.7
143.41676	0.3
145.02885	4.8
148.05231	0.4
151.04027	0.4
160.01636	0.6
161.02380	3.4
161.04546	1.4
161.05902	0.3
163.03951	4.0
175.03911	0.7
175.74518	0.3
179.03525	0.7
180.53848	0.3
187.04065	0.4
190.27838	0.4
192.11682	0.9
203.05537	1.9
205.05026	0.4
207.13911	5.6
208.14276	0.6
223.24927	0.3
249.14970	2.6
265.07376	0.7
307.08386	2.3
339.13528	0.3
367.73523	0.4
429.17401	2.3
471.14828	1.1
471.26389	0.6
471.35150	0.7
472.15125	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	471.1518
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	6.8
61.98709	0.7
70.23901	1.1
70.24303	0.7
71.01275	3.2
73.02831	2.5
85.02847	1.6
87.00789	1.6
87.04398	0.4
88.98688	0.5
89.02351	2.4
93.03352	1.0
95.43828	0.5
98.20495	0.5
101.02358	3.2
103.03934	1.9
109.02908	0.5
113.02316	0.6
117.03379	25.3
118.03706	1.3
119.04951	21.6
120.05318	0.9
121.02866	4.4
125.02412	0.9
129.29710	0.5
131.03430	1.2
131.04897	0.6
133.02876	0.8
133.06554	1.8
135.04468	1.3
143.03448	1.2
145.02890	100.0
146.03223	4.2
159.04440	0.8
161.02376	1.0
161.06032	3.4
163.03960	70.5
164.04237	2.9
165.01935	0.6
177.05608	1.2
187.03978	7.0
188.04329	0.6
191.05638	0.6
205.05052	4.4
205.07001	0.8
229.05103	0.5
307.10535	0.6
310.55670	0.5
351.11060	0.6
411.12943	0.7
471.15140	5.3
472.15439	1.1
478.61780	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1938
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00465	1.8
59.01264	32.6
60.65721	0.7
61.98693	1.7
71.01270	32.6
71.01665	1.7
71.58028	1.0
72.99183	1.9
73.02831	13.3
85.02854	1.9
87.00770	1.6
89.02340	47.2
90.09597	0.7
95.39719	0.7
97.02845	1.1
98.25646	0.8
99.00783	29.8
101.02347	17.5
109.02844	1.6
113.02371	3.9
119.03384	1.4
119.04915	1.4
121.02877	1.0
125.02358	3.0
125.76826	0.8
131.03435	6.6
133.02867	2.5
135.04472	4.2
149.04494	14.1
159.46191	0.7
161.02396	11.2
161.04483	2.5
168.59853	0.9
175.04012	2.1
179.03391	2.1
191.05586	8.3
203.03427	1.0
206.08168	1.3
251.07852	1.1
321.05832	0.9
392.12305	2.9
401.65204	0.8
460.62268	1.2
469.19357	100.0
470.13193	0.8
470.19656	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	469.1728
Annotation	13-O-Methylvernojalcanolide 8-O-acetate
Peak:m/z	Relative Intensity
52.95168	0.1
55.01774	0.2
56.31435	0.1
57.03358	0.3
58.00499	0.1
59.01265	7.0
60.98630	0.1
61.98712	0.5
63.99818	0.1
71.01270	6.9
72.01621	0.1
72.99220	0.2
73.02833	4.1
75.00766	0.2
83.01273	1.0
85.02840	2.4
87.00775	0.4
89.02345	1.4
93.03372	0.1
95.01282	0.4
97.02852	0.2
99.00782	3.4
100.01120	0.1
101.02348	3.6
102.02650	0.1
105.06992	0.2
106.04137	0.3
113.02354	4.3
114.02718	0.1
123.04478	0.6
125.02360	1.4
130.04094	0.1
131.03419	0.6
131.04939	0.7
132.05756	1.6
133.06519	100.0
134.06850	4.9
134.07887	0.2
135.04454	0.3
143.03447	0.5
148.05217	0.1
159.02922	0.4
161.02524	0.7
161.04498	3.0
163.03981	0.1
167.03532	0.1
177.58372	0.1
179.03484	0.2
189.59024	0.1
191.05554	0.4
203.03874	0.2
203.05583	0.9
203.07294	0.2
255.14761	0.1
275.07651	0.2
293.08807	0.1
295.12051	0.6
299.02011	0.1
302.88300	0.1
337.12967	2.5
338.13376	0.3
397.33777	0.1
409.14993	0.4
427.16159	10.6
428.16397	1.2
456.27222	0.1
468.68420	0.5
469.17245	14.4
470.17682	2.1
484.46381	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	469.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01267	7.6
61.98713	0.8
69.68303	1.1
69.68713	1.6
83.01295	0.4
93.03339	1.0
96.95920	0.4
111.38540	0.4
112.81784	0.4
117.03377	29.2
118.03705	1.8
119.04945	49.0
120.05278	1.9
121.02861	2.0
129.88306	0.4
132.48013	0.4
133.02878	0.8
135.04472	0.8
137.02364	0.5
143.04996	0.6
145.02888	100.0
145.06535	2.4
146.03220	5.7
149.76675	0.4
159.04457	1.5
159.08018	0.8
161.02446	1.7
161.06105	0.8
163.03955	51.9
164.04327	2.0
175.07564	0.5
187.03983	1.7
189.05518	1.0
200.14923	0.4
205.04884	0.4
219.06717	0.6
245.08200	2.5
263.09305	2.9
296.51538	0.4
305.10455	4.0
323.11307	1.3
349.09470	0.6
409.13007	65.9
410.13354	11.3
468.67303	3.6
469.15067	21.9
469.24936	0.7
470.15219	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	469.1727
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01769	0.3
57.03331	0.3
59.01265	9.0
60.01599	0.1
60.87917	0.1
61.98718	0.3
66.05101	0.1
69.03343	0.2
71.01270	7.2
71.58043	0.1
72.01601	0.2
72.99207	0.2
73.02833	2.3
74.03159	0.1
75.00793	0.1
83.01280	1.0
85.02848	2.5
87.00758	0.5
89.02326	1.4
93.03386	0.2
95.01293	0.3
97.02873	0.1
99.00790	0.6
101.02353	3.7
106.04148	0.2
108.02039	0.2
111.04443	0.2
113.02365	3.7
113.03162	0.2
119.03437	0.1
119.04931	0.2
123.04435	0.5
124.02731	0.1
125.02357	0.9
129.01866	0.1
131.03424	0.5
131.04958	0.7
132.05739	1.4
133.06520	100.0
134.06854	4.5
134.07887	0.2
135.04408	0.6
137.02391	0.2
139.00333	0.1
140.66603	0.1
143.03403	0.5
149.04503	0.1
159.02986	0.4
161.02483	1.2
161.04495	4.3
162.04817	0.1
179.03481	0.3
191.05582	0.6
203.03677	0.2
203.05560	0.9
205.03528	0.2
217.08691	0.2
221.04253	0.1
225.07846	0.1
293.08850	0.2
293.20047	0.1
295.11954	1.9
296.12161	0.1
307.14032	0.1
337.13004	3.0
338.13528	0.2
396.14291	0.1
427.16187	6.0
428.16537	0.8
468.68399	0.3
469.17233	2.6
470.17810	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1515
Annotation	Unknow
Peak:m/z	Relative Intensity
57.87246	0.4
59.01265	6.5
65.54181	0.3
69.39732	2.8
77.42534	0.3
93.03377	1.4
98.20583	0.5
117.03381	28.4
118.03724	1.2
119.04948	49.7
120.05267	2.3
121.02882	2.6
130.04187	0.5
131.04959	0.3
132.05733	0.3
133.02884	0.8
135.04398	0.4
139.03905	0.3
143.04936	0.8
145.02893	100.0
145.06560	2.3
146.03238	4.5
159.04457	1.1
159.08087	0.6
160.04851	0.3
161.02415	0.8
161.06053	0.4
162.03131	0.4
163.03960	47.0
164.04282	2.8
175.07568	0.7
187.03954	2.2
189.05588	1.0
219.06560	0.4
245.08159	1.5
263.09323	3.3
305.10367	2.1
323.11362	0.7
409.13010	64.6
410.13348	9.3
468.67419	1.1
469.15131	26.6
470.15588	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	467.1335
Annotation	Polycarpine
Peak:m/z	Relative Intensity
58.64117	19.0
63.08131	21.2
66.34314	20.0
70.71786	40.4
70.72141	44.3
73.71613	17.9
82.25290	18.1
82.73263	19.3
129.52315	20.5
135.04439	18.6
153.01837	21.4
293.08795	41.8
467.12997	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	467.2815
Annotation	ZHANKUIC ACID A
Peak:m/z	Relative Intensity
50.79291	0.2
54.64503	0.2
55.71668	0.2
65.42575	0.2
71.58820	0.2
71.59160	0.2
78.95786	0.5
93.03352	0.6
107.04938	0.2
109.06506	8.3
110.06825	0.4
117.03369	2.2
119.04941	1.1
121.02876	0.9
127.07567	0.4
133.02881	0.2
145.02892	9.1
146.03168	0.4
152.99564	0.5
159.04445	0.2
159.08063	0.2
162.03192	0.2
163.03967	0.4
185.06058	1.3
187.07619	0.4
199.11230	0.5
200.08089	0.2
209.09698	0.2
218.05782	0.3
227.14355	1.2
234.10689	0.2
249.12906	3.0
251.14442	1.1
255.17664	0.3
262.10056	0.5
267.10312	0.6
271.16980	0.5
277.12393	10.5
278.12784	1.0
295.13589	1.1
296.13635	0.2
297.14944	1.3
299.16629	2.1
300.17123	0.2
313.14453	1.0
315.15909	0.6
339.19705	3.0
340.20090	0.3
372.19849	0.3
395.26111	0.8
409.23782	0.8
421.23819	1.6
422.24167	0.2
431.26022	12.3
432.26404	2.1
449.27063	9.0
450.27649	1.5
451.11273	0.2
467.28110	100.0
468.28445	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	469.1515
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12085	1.0
52.40864	0.9
59.01266	9.3
61.98705	1.0
71.59026	1.1
74.23109	0.9
93.03368	1.1
106.21294	0.8
117.03374	32.8
118.03690	0.8
119.04940	62.6
120.05291	3.1
121.02865	3.2
133.02852	3.5
135.04404	2.3
137.02315	1.3
145.02885	100.0
145.06546	2.6
146.03242	4.6
159.08157	1.3
161.02373	7.1
163.03955	60.2
164.04300	3.7
179.03546	1.2
181.86247	1.0
187.03975	3.2
219.06680	1.4
245.08167	2.2
254.17238	0.8
263.09238	3.7
270.13663	1.0
282.42560	0.8
305.10303	6.5
395.64777	1.3
409.12997	70.7
410.13373	11.4
468.67291	15.4
469.14999	21.1
469.67160	1.6
470.15442	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	465.271
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01768	1.3
55.87988	0.3
57.03323	1.1
58.00465	0.4
59.01264	13.6
62.23709	0.3
68.99681	0.3
69.03322	0.3
69.26472	0.3
69.26673	0.8
69.27082	1.9
71.01269	10.9
71.04902	1.0
72.99191	0.9
73.02837	3.4
75.00755	0.5
83.01281	2.2
85.02847	5.0
85.06483	1.2
85.99994	0.6
87.00776	1.4
87.04393	0.3
89.02331	2.6
93.03340	0.6
95.01289	1.0
98.19716	0.6
99.00774	1.5
99.08036	1.6
101.02346	7.9
111.00780	1.1
113.02351	3.1
117.03018	0.2
119.03383	0.7
123.04476	0.3
125.02378	0.6
127.11153	0.3
129.09157	1.7
133.02917	0.4
135.04434	0.8
137.02374	0.9
137.21031	0.3
143.10689	0.7
151.00348	0.3
153.01915	0.4
155.10724	0.4
161.02405	1.0
161.04482	0.4
167.03461	0.7
179.03458	1.2
209.04584	0.4
237.18713	0.5
239.05667	0.6
273.03387	0.3
285.20789	7.2
286.21106	0.7
301.20285	0.8
303.18338	0.6
303.21832	12.4
304.22220	1.0
380.06198	0.3
447.26047	6.3
448.26450	0.8
465.27121	100.0
466.27469	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	465.2719
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	1.1
57.03331	0.5
58.00474	0.6
59.01267	10.6
61.98685	0.2
69.61387	1.8
69.99276	0.2
71.01270	8.0
72.99192	0.7
73.02828	3.6
75.00778	0.2
82.45920	0.2
83.01286	2.5
85.02842	5.6
85.99986	0.5
87.00774	0.9
89.02338	2.0
89.49469	0.2
93.03360	1.3
95.01308	1.2
97.02848	0.4
99.00791	1.4
99.08065	0.4
101.01701	0.4
101.02350	7.2
111.00771	0.7
111.04443	0.3
113.02361	2.9
117.03369	1.6
119.03396	0.5
119.04935	0.5
122.06065	0.3
125.02352	0.5
129.09134	0.3
133.02898	1.8
135.04445	1.2
137.02359	0.4
139.00287	0.3
145.02895	5.7
146.03203	0.5
152.07153	0.7
153.01932	0.3
155.10710	0.3
159.02850	0.3
161.02409	4.9
161.04506	0.6
162.02800	0.4
163.03922	0.4
173.04480	0.3
175.03990	0.5
179.03487	0.5
191.05586	0.6
203.03490	0.4
209.19125	0.3
211.07664	0.2
216.21478	0.3
236.24040	0.2
237.18628	0.3
239.20032	0.4
255.03003	0.5
257.12967	0.3
257.21307	1.9
284.03342	0.5
285.04068	0.8
285.20807	1.6
299.22336	0.3
303.21838	5.8
304.22101	0.5
307.08356	0.7
309.84879	0.3
392.12360	0.6
447.26114	0.7
465.27130	100.0
465.64008	0.8
466.20087	1.7
466.27420	13.7
475.29120	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2713
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05677	0.2
55.01775	1.4
57.03340	1.5
58.00475	0.6
59.01264	12.2
62.18224	0.2
69.51581	2.1
71.01270	11.7
71.04913	0.5
72.14921	0.2
72.99192	0.7
73.02837	4.5
83.01274	3.1
85.02844	6.9
85.99984	0.5
87.00768	1.1
89.02334	1.7
95.01284	1.1
97.02856	0.6
97.06454	0.3
98.20721	0.3
99.00781	2.1
99.08031	1.0
101.02348	10.4
111.00766	0.8
113.02357	4.8
119.03431	0.5
125.02363	0.5
127.11246	0.4
129.09149	2.2
133.02873	1.4
135.04393	0.6
139.11212	0.3
143.10687	0.5
159.02928	0.4
161.02409	3.7
161.04518	0.9
162.84731	0.3
179.03415	0.3
239.20053	0.4
257.21176	0.4
285.20779	5.3
286.21014	0.4
303.21823	3.9
304.22168	0.4
308.93143	0.3
327.21664	0.4
429.24771	0.5
447.26074	10.6
448.26352	1.3
463.25342	0.3
465.27124	100.0
465.63934	1.3
466.27484	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	465.2715
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37941	0.1
55.01768	1.0
57.03345	0.6
58.00484	0.3
59.01266	37.5
60.01603	0.5
61.98697	0.1
63.44650	0.1
69.03327	0.3
69.38670	1.2
71.01270	8.3
72.01630	0.2
72.99195	0.2
73.02837	3.6
75.00761	0.3
77.64678	0.1
82.60777	0.1
83.01279	2.1
85.02843	4.6
85.99997	0.5
86.03207	0.2
87.00794	0.5
89.02340	1.2
94.08905	0.1
95.01302	0.6
97.02843	0.4
99.00772	1.2
101.02346	8.4
101.42041	0.1
101.76922	0.1
102.02725	0.2
111.00806	0.6
113.02359	3.7
119.03445	0.4
125.02394	0.2
129.01883	0.2
129.09158	0.2
143.03403	0.2
159.02946	0.6
161.04497	1.6
167.00847	0.2
212.64735	0.1
243.19719	0.9
303.22012	0.2
405.25006	2.3
406.25616	0.3
431.70056	0.1
447.26129	2.7
448.26309	0.4
465.27118	100.0
466.27466	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	465.2354
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20481	0.4
57.03343	0.8
58.00475	0.6
59.01266	100.0
60.01596	1.1
61.98721	8.1
68.87078	0.5
71.01267	7.9
71.56226	0.9
72.99190	0.7
73.02874	0.6
75.00777	0.5
75.62871	0.6
78.95813	0.8
79.48372	0.5
81.45341	0.5
83.01310	0.5
85.02843	0.7
87.00778	0.5
89.02338	9.9
89.02840	0.8
95.11935	0.5
96.95939	0.7
98.02357	0.6
101.02349	5.2
113.02377	4.0
116.92797	0.7
119.03423	4.0
125.02369	2.6
131.03502	0.8
134.83150	0.5
143.03459	1.4
151.00273	1.1
153.01941	0.9
161.02429	0.5
161.04488	2.9
177.01971	0.6
179.05594	3.8
195.06708	0.7
237.69037	0.5
285.04248	2.1
303.05374	1.6
327.37894	0.5
386.78320	0.5
405.21497	3.8
465.14261	0.7
465.24255	1.0
466.19324	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07203	0.1
56.22269	0.1
59.01260	0.7
64.47587	0.1
71.01279	0.2
71.50128	0.3
78.95785	0.3
85.02850	0.2
91.05434	0.2
92.02589	0.1
93.03339	0.9
105.03373	0.2
108.02043	0.2
109.02873	0.8
110.86402	0.1
117.03383	1.0
119.04945	3.5
119.67740	0.1
120.05265	0.2
121.02872	100.0
122.03203	3.7
135.04454	4.7
136.04776	0.3
143.04965	0.4
145.02892	4.9
145.06544	0.1
146.03233	0.3
147.04445	3.8
151.11188	0.2
152.99556	0.5
153.12863	0.2
161.02461	0.2
161.06032	0.4
163.03983	0.6
165.12852	0.2
189.05542	2.7
189.07109	0.2
193.12306	2.1
259.01993	0.3
266.09137	0.3
267.10004	0.4
271.17065	1.0
299.16586	8.3
300.16907	0.7
310.08365	0.2
311.08792	0.1
312.43512	0.1
315.16083	0.3
317.17691	0.2
341.35953	0.1
343.19208	5.9
344.19568	0.6
345.02966	0.1
405.05832	0.1
444.22064	0.1
465.08310	0.4
465.22894	14.0
466.23248	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	465.227
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23639	0.3
59.01266	1.7
61.98720	0.3
62.96299	0.5
68.39787	0.3
69.28093	2.5
69.28510	0.7
78.44189	0.3
78.95793	53.7
85.02834	0.4
87.13629	0.3
96.95914	0.3
96.96866	6.6
104.54437	0.3
115.31358	0.3
115.97762	0.3
119.04929	1.1
121.02872	46.2
122.03187	1.5
133.02908	0.4
135.04433	0.6
145.02840	0.4
149.06007	0.5
150.97998	1.9
152.99522	100.0
153.99899	1.4
157.66000	0.3
161.02342	1.1
163.03928	0.8
171.00595	4.7
223.90263	0.3
251.10725	0.4
256.82599	0.3
315.16122	0.7
339.41272	0.3
364.97739	0.3
465.22665	19.6
466.23343	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	465.2275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32940	0.3
57.38986	0.3
59.01265	1.4
59.10547	0.3
61.98714	0.4
63.02554	0.3
67.72460	0.3
71.26437	0.3
71.59551	0.3
72.87612	0.3
78.95796	52.2
93.03373	0.4
96.96871	6.0
117.88137	0.3
119.04964	0.6
121.02869	7.0
133.02919	0.3
145.02888	1.1
150.97940	1.5
152.99529	100.0
153.99872	1.5
159.44498	0.3
161.02408	0.5
163.03954	0.4
171.00609	4.6
174.73222	0.3
238.46814	0.3
275.05731	0.3
309.32150	0.3
315.16031	1.6
447.90527	0.3
465.22705	21.6
466.22852	3.0
483.30432	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1047
Annotation	3,4,5,2',4',6'-Hexahydroxychalcone 2'-glucoside
Peak:m/z	Relative Intensity
57.03336	5.8
59.01273	8.4
61.98711	1.8
65.00201	3.1
70.63190	0.9
71.01264	5.3
71.07932	1.9
71.08259	1.5
72.99213	1.5
73.02827	1.7
83.01275	5.6
85.02816	1.3
89.02350	1.6
89.78389	1.0
94.89029	1.0
95.01283	1.7
97.02861	1.7
101.02331	1.5
107.01286	4.6
108.02112	1.4
109.02866	4.4
121.02872	2.9
123.04440	4.7
125.02363	100.0
126.02661	3.7
137.02394	5.8
139.03946	3.4
142.59909	1.0
149.02348	12.6
150.03195	1.5
151.00293	29.8
151.03900	3.0
152.00996	3.4
153.01877	27.4
161.02431	1.7
163.00314	1.3
163.03961	2.0
165.01836	1.4
167.03424	3.3
169.01370	2.7
173.05933	1.3
174.03146	1.7
175.00319	5.7
175.03967	8.6
177.01888	17.3
178.02257	1.2
178.99837	21.9
179.03503	1.2
180.00218	1.4
181.01387	11.6
188.04575	1.2
189.05573	3.1
191.03459	2.8
192.00558	1.2
195.02888	2.6
199.03973	4.5
201.01984	1.9
205.01404	1.7
213.05528	1.2
214.64821	1.1
217.05013	7.4
219.02966	1.1
241.05118	5.7
259.06198	3.1
275.05673	23.3
276.05984	2.1
285.04111	52.7
286.04495	5.1
299.05591	7.5
303.05164	94.9
304.05560	8.2
313.06076	1.4
327.05237	2.0
341.05161	8.4
343.06668	6.5
405.21130	1.3
437.10944	3.0
447.09250	3.4
465.10361	3.6
473.68414	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1784
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	17.3
61.98718	100.0
69.65398	1.3
69.65800	0.5
71.01273	1.8
71.81139	0.3
73.02864	0.4
77.36593	0.2
78.95804	1.4
85.02851	0.7
88.98698	0.3
89.02348	0.3
101.02372	0.7
113.02368	0.7
119.27740	0.3
161.04491	0.5
315.18152	1.8
357.19287	1.1
465.14737	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1049
Annotation	3,4,5,2',4',6'-Hexahydroxychalcone 2'-glucoside
Peak:m/z	Relative Intensity
52.88197	0.9
57.03127	0.8
57.03341	8.4
59.01266	72.6
61.98722	7.0
63.02292	1.2
65.00212	4.2
65.93404	0.9
71.01269	19.0
71.56873	1.6
72.99196	3.3
74.02361	1.2
78.95782	1.1
83.01287	5.8
85.02838	2.5
88.07792	0.9
89.02344	7.4
95.01279	2.2
96.95919	1.6
101.02341	5.9
103.50661	0.9
107.01302	5.6
109.02883	3.3
113.02351	4.0
115.00312	2.6
116.03458	1.6
116.92804	1.1
119.03422	3.9
119.86599	0.9
121.02859	2.7
123.00822	1.1
123.04411	5.7
125.02366	79.9
126.02694	2.3
128.06705	1.2
130.26103	0.9
133.02866	2.7
135.04477	1.0
137.02382	2.4
139.03973	2.4
143.03465	1.3
149.02368	9.2
150.03081	1.0
151.00304	25.8
151.03918	2.8
152.01120	2.3
153.01884	16.9
161.02411	2.4
161.04517	3.4
163.00342	5.3
169.01309	1.9
174.03192	2.7
175.03989	12.3
176.01193	5.0
176.04388	1.0
177.01871	17.0
178.99825	14.2
179.05627	4.5
181.01390	2.6
185.06026	1.6
188.04773	1.9
189.05522	3.9
193.05002	1.8
199.03995	7.8
201.01917	2.0
207.46292	1.0
213.05518	2.0
217.05095	9.2
232.73643	1.0
241.05119	6.4
243.03087	2.3
257.04553	2.7
259.06149	3.9
275.05713	8.5
284.03314	1.5
285.04108	81.4
286.04462	5.7
303.05164	100.0
304.05521	8.1
311.09552	1.8
341.05179	4.1
342.05621	1.1
349.18668	2.7
362.40704	1.0
405.21487	7.8
447.09537	2.0
465.10214	5.9
465.19604	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	463.256
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02270	0.4
55.01766	2.8
55.83878	0.4
57.03337	2.2
58.00483	1.9
59.01266	30.4
59.93266	0.4
60.01597	0.4
61.64550	0.4
61.98701	0.8
65.00202	0.7
69.03350	0.9
69.46532	0.5
71.01271	32.5
71.04907	2.0
71.56752	0.9
72.99197	3.2
73.02839	10.0
74.90634	0.4
75.00774	1.1
75.51929	0.4
82.52187	0.4
83.01277	5.8
85.02845	14.3
85.03366	0.8
85.99995	1.1
86.03178	0.6
87.00772	2.3
89.02340	10.8
92.69360	0.5
93.03371	0.4
95.01292	3.0
97.02873	0.8
97.87583	0.6
99.00777	7.1
99.08031	0.5
101.02346	25.5
107.01270	1.3
111.00787	1.1
113.02355	11.7
114.02663	0.7
119.03417	2.5
119.04927	0.4
121.02859	1.4
123.04440	0.5
125.02399	0.9
129.01855	0.5
129.09062	0.5
131.03442	0.6
133.06558	2.3
134.03667	1.0
135.04442	1.1
137.02383	1.0
143.03441	1.7
145.02872	1.3
149.04515	1.0
149.05984	0.8
151.00316	5.1
159.02908	1.6
159.04362	0.5
161.02385	1.9
161.04498	8.6
162.02797	0.6
163.00323	0.8
164.01056	0.5
165.01959	0.6
165.83960	0.4
169.12288	0.9
178.99814	1.0
179.05573	0.7
181.08810	0.7
191.05635	0.8
194.34947	0.4
196.63603	0.5
209.11823	0.6
227.03360	0.7
235.12402	0.5
237.18578	1.1
239.20149	0.5
243.03024	1.5
254.02232	0.5
255.03084	3.2
256.03455	0.8
257.21085	1.0
265.18118	4.0
271.02560	6.5
272.03064	0.7
279.22369	0.5
283.02490	1.0
283.19211	6.2
284.19452	0.6
299.05179	0.5
300.02832	9.7
300.06128	1.0
301.03549	17.2
301.07144	6.4
301.20270	9.1
301.23428	0.3
302.03830	1.6
302.07214	0.7
302.20422	0.9
331.17688	16.6
332.17981	1.7
361.23529	0.5
427.16156	2.8
445.07761	5.0
445.24551	6.1
446.07990	0.7
463.08398	4.8
463.26382	100.0
464.08847	0.5
464.11984	0.4
464.26807	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	463.2562
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	0.5
57.03338	1.2
59.01268	12.3
61.98703	1.1
65.00229	0.2
68.56350	0.2
69.03362	0.5
71.01275	10.6
72.99193	1.1
73.02847	1.3
78.95781	0.4
83.01270	1.3
85.02847	2.3
86.80924	0.2
87.00787	1.3
89.02341	3.2
93.03353	0.4
95.01309	0.6
97.02811	0.4
97.06538	0.3
98.20549	0.9
99.00780	1.0
101.02354	3.9
111.00815	0.4
112.01491	0.3
113.02364	2.9
113.09644	0.5
119.03412	0.8
119.04926	0.3
124.01574	0.8
125.02357	1.0
133.02896	0.3
145.02869	0.4
149.05994	0.3
151.00305	0.4
152.99548	0.3
161.02396	0.7
161.04501	0.3
161.59102	0.3
162.02676	0.3
163.03903	0.6
217.00244	0.3
221.19121	13.4
221.99832	0.3
222.19411	1.2
225.89684	0.3
239.20213	0.9
257.21219	1.1
265.18140	8.3
266.18546	0.7
271.02515	1.1
283.19220	13.2
284.19611	1.2
299.02124	0.4
300.02737	1.9
301.03522	1.7
301.20282	15.1
302.20526	1.4
315.21753	0.5
325.20242	0.5
343.21408	0.6
419.26260	0.3
427.23477	0.9
445.24503	3.9
446.25006	0.5
463.25620	100.0
464.08786	0.4
464.15060	0.6
464.25882	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	463.2196
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97429	0.8
53.55946	0.8
55.01765	3.3
57.03332	3.3
58.00492	1.7
59.01266	77.1
60.01609	1.2
61.98706	2.9
67.84781	0.8
70.52347	0.9
71.01275	50.8
71.57752	1.6
72.01617	1.1
72.99171	1.5
73.02837	15.9
75.00765	1.7
83.01281	5.9
85.02846	19.7
86.03210	1.4
86.03810	0.8
87.00795	2.7
89.02334	17.4
95.01285	3.7
97.02853	1.1
99.00784	6.9
99.04405	4.9
101.02352	38.0
102.02675	1.0
107.68465	1.0
111.00835	1.0
113.02355	22.7
114.02696	1.0
119.03440	7.1
121.02914	0.9
121.19566	1.1
125.02372	1.5
128.03450	1.5
129.01878	1.5
135.04453	1.5
141.08997	1.1
143.03429	2.8
143.04552	1.8
151.07600	1.5
159.02986	4.6
161.02428	2.4
161.04506	26.5
161.09666	2.5
162.04860	1.1
165.09178	1.4
169.08675	1.2
179.05569	2.5
179.10793	2.0
205.03424	1.1
205.12315	6.5
223.13377	3.5
241.14488	4.7
272.09027	2.0
331.13919	1.2
331.17755	2.4
383.94177	0.9
385.18713	1.5
403.19812	100.0
404.20154	11.0
405.58997	1.1
422.70844	1.0
463.21957	1.5
464.22150	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.214
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	1.2
61.98728	0.7
69.46828	2.2
71.85394	0.2
78.95786	2.6
79.60910	0.3
93.03358	15.3
93.72545	0.3
94.03692	0.8
96.95959	0.4
117.03381	4.8
119.04946	11.3
119.16589	0.2
120.05257	0.4
121.02876	7.1
123.04389	0.4
130.04193	0.6
131.04935	1.5
133.02884	0.8
143.04964	17.9
144.05298	1.2
145.02893	22.9
146.03235	1.0
147.04433	0.7
149.00050	5.2
151.11252	1.7
153.12807	1.5
153.13889	0.3
158.03699	0.5
159.04498	1.6
161.02444	0.3
163.03966	1.7
171.04462	2.8
171.13849	0.5
173.63354	0.3
194.98843	16.1
195.08049	0.4
195.99196	0.6
197.11795	0.9
209.06032	0.4
211.07622	0.9
217.00305	0.6
219.08128	0.6
221.06122	0.4
222.06876	1.8
223.07652	21.5
224.07997	1.7
235.07669	6.3
236.08168	1.1
237.09224	9.4
238.09575	0.7
246.06897	0.3
247.07745	1.9
263.07181	1.0
264.08063	2.1
265.08746	36.0
266.09094	3.5
271.02646	0.4
279.06778	0.5
283.09695	0.3
295.68948	0.3
299.16583	5.8
300.02753	0.6
300.16827	0.9
309.07715	2.0
347.13351	0.4
419.22415	0.7
463.11826	11.7
463.21353	100.0
464.12195	1.6
464.21658	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	463.2139
Annotation	Dulciol A
Peak:m/z	Relative Intensity
59.01296	1.5
70.15075	2.2
70.15482	1.2
71.01343	0.7
80.17293	0.7
80.79546	0.6
87.48963	0.7
93.02797	1.8
93.03360	45.6
94.03767	1.8
95.05038	0.9
96.99304	3.0
100.20313	0.7
117.03374	13.0
118.03714	0.8
119.04940	11.8
121.02876	6.5
123.04449	5.8
130.04257	3.0
131.04956	12.8
133.02890	13.3
143.04965	53.3
144.05374	2.3
145.02882	27.8
146.03337	2.6
147.04555	1.9
151.11292	2.3
153.12759	3.3
158.03699	0.8
159.04500	3.1
162.03291	1.4
163.03951	7.7
164.04337	1.7
166.90277	0.7
171.04498	8.4
175.04030	1.7
177.02040	0.8
197.11841	1.3
203.03546	1.4
209.06055	0.7
210.06946	3.2
211.07631	53.2
212.07951	3.6
219.08229	2.0
221.09695	1.4
222.06863	3.3
223.07652	3.0
235.07671	15.1
236.08276	2.4
237.09229	21.4
238.09500	1.2
247.07594	2.3
250.06279	1.3
251.07288	0.8
263.07190	3.1
264.07800	1.9
265.08746	100.0
266.09082	10.6
271.02448	1.0
279.06693	2.4
280.07346	1.6
281.08270	5.0
299.16425	4.0
309.07748	50.1
310.08072	3.5
317.17422	2.5
327.08813	10.1
328.09277	0.8
369.17007	1.7
391.51273	0.7
419.22028	1.0
463.20950	66.9
464.21286	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	463.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34784	0.5
59.01254	1.4
61.36514	0.6
66.24759	0.5
67.05354	0.4
71.57668	0.5
71.58092	0.9
77.15869	0.5
78.95848	0.6
88.46587	0.5
88.70106	0.4
93.03358	41.5
94.03708	1.2
96.09307	0.5
96.99190	2.7
117.03381	5.4
119.04959	6.4
121.02880	2.2
123.04434	4.8
123.08054	0.5
130.04175	3.0
131.04959	11.8
133.02882	9.8
137.02382	1.2
143.04959	48.0
144.05309	2.5
145.02875	7.5
147.04436	1.5
151.11269	1.6
152.99507	0.7
153.12804	4.8
158.03676	0.9
159.04433	1.9
163.03938	2.6
171.04465	7.2
175.03947	1.7
194.98874	0.8
197.11804	0.9
203.03500	0.7
210.06822	4.6
211.07634	54.1
212.07915	4.3
217.00241	1.0
219.08145	2.1
221.09700	1.2
222.06883	2.3
223.07678	3.2
235.07661	13.2
236.08180	1.2
237.09224	21.2
238.09567	1.7
247.07753	2.4
263.07184	3.3
264.07895	2.0
265.08740	100.0
266.09119	9.8
279.06638	1.2
280.07578	0.7
281.08249	4.4
299.16641	1.3
309.07742	51.8
310.08096	4.9
327.08841	8.7
463.21347	49.2
464.21750	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	463.2114
Annotation	Garciniaxanthone E
Peak:m/z	Relative Intensity
54.48780	0.2
59.01268	1.4
59.49027	0.1
61.27762	0.2
61.98716	1.3
62.96270	0.2
71.01270	0.2
71.57597	0.2
73.02792	0.2
78.19643	0.2
78.95793	48.8
81.10561	0.1
88.98775	0.1
94.50716	0.2
96.96864	5.9
101.02365	0.2
150.97942	1.7
151.00238	0.2
152.99525	100.0
153.99860	1.5
161.02431	0.3
171.00601	4.4
209.11748	0.2
216.07858	0.2
217.00317	0.5
255.03157	0.3
271.02454	0.7
299.99908	0.2
300.02759	1.0
300.13098	0.2
301.03510	0.7
301.15649	0.3
309.20724	0.2
463.08966	0.9
463.21140	20.3
464.09509	0.2
464.21411	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	463.2141
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01260	2.9
61.98718	30.3
70.26105	0.8
71.57035	1.4
78.56911	0.7
78.95789	3.4
89.76684	0.7
93.03358	81.0
94.03695	3.2
96.99217	12.6
109.02874	1.2
117.03368	6.1
119.04945	6.3
121.02876	2.0
123.04447	7.1
130.04185	3.8
131.04974	14.3
132.05252	0.9
133.02878	11.9
137.02341	1.3
143.04964	86.4
144.05290	5.2
145.02885	11.3
146.03166	0.8
147.04449	2.0
149.00058	3.9
152.99474	4.0
158.03644	1.6
159.04492	4.3
163.03918	2.1
170.18413	1.0
171.04488	10.0
172.04999	1.0
181.27003	1.0
194.98878	11.9
203.03389	2.0
210.06891	1.6
211.07645	22.8
212.07961	1.6
217.00323	3.2
219.08162	5.0
221.09593	6.0
222.06853	1.7
223.07687	7.3
235.07666	16.1
236.08096	2.0
237.09218	27.1
238.09564	2.8
247.07643	3.3
250.06366	1.4
251.07097	1.3
253.08664	1.5
261.12939	0.8
263.07101	4.0
264.07767	2.3
265.08743	100.0
266.09082	10.1
279.06671	3.5
280.07315	1.8
281.08292	6.0
300.02835	1.1
309.07764	41.9
310.08109	5.4
315.16122	1.9
327.08810	43.3
328.09180	5.3
463.11789	6.9
463.21359	54.4
464.21661	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1269
Annotation	Dihydroscoparin
Peak:m/z	Relative Intensity
50.98577	0.4
59.01214	2.8
67.01759	0.6
68.99702	9.9
69.03292	0.7
70.00157	0.7
70.00551	1.3
71.01276	2.5
81.03348	3.2
83.01256	2.6
85.02853	2.0
93.03352	3.7
95.01244	1.4
95.04915	2.2
97.02851	7.6
99.00755	0.5
99.97397	0.5
101.02278	1.5
107.01236	1.9
107.04858	0.9
109.02889	3.4
111.00761	0.7
111.04391	1.1
113.02266	0.6
118.85220	0.4
119.04935	9.0
120.05165	0.7
121.02794	1.5
123.04440	6.8
125.02365	6.6
133.02803	1.8
134.03160	0.5
134.04916	0.5
135.04427	2.3
137.02367	3.5
137.05943	1.5
138.03137	0.6
139.03929	1.3
145.02814	0.6
147.04362	1.7
149.05971	0.6
151.00241	1.2
151.03966	5.2
153.01872	4.6
154.02342	0.5
161.02357	3.3
161.06003	0.7
162.02664	1.1
163.00244	0.6
163.03880	1.3
165.01897	2.5
165.05495	2.1
165.84633	0.4
166.02582	1.8
167.03461	3.8
175.03920	1.0
177.01891	0.5
177.05438	0.8
178.99780	1.2
179.03473	2.7
180.04079	1.5
181.04929	0.8
183.02878	0.6
183.13799	0.5
187.03995	1.1
189.04005	0.7
189.05556	12.1
190.05824	1.2
191.03448	1.0
193.01375	3.5
193.05051	4.8
194.02037	1.2
194.05305	0.6
195.02946	7.4
195.60902	0.5
205.01428	2.7
207.02982	6.8
208.03706	2.4
209.04434	1.5
217.05025	1.0
219.02997	1.5
221.00992	2.0
221.04546	1.5
223.06062	0.6
225.03964	0.8
235.02492	2.9
237.04070	15.2
238.04401	0.9
240.02654	0.8
243.03111	0.6
247.02415	1.0
249.04050	6.1
255.02974	1.0
256.18781	0.5
261.04001	0.6
267.05154	4.5
271.02545	3.0
272.02744	1.6
273.03052	1.0
273.07617	0.9
279.05124	0.9
283.05768	0.4
295.05957	0.7
299.02264	2.2
299.05481	0.8
299.09009	0.9
300.02637	4.8
301.03299	4.1
301.07193	6.7
302.03159	1.3
313.07236	3.5
314.07721	0.5
315.08621	0.6
325.07181	0.6
341.06644	6.3
343.08289	100.0
344.08609	10.8
355.08380	1.3
371.07928	2.5
373.09348	37.5
374.09689	5.0
385.09534	1.2
403.10437	1.2
427.10464	0.6
445.11490	5.3
446.11679	1.0
463.12653	49.0
464.12915	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	463.1257
Annotation	Caffeoylcalleryanin
Peak:m/z	Relative Intensity
54.12020	0.4
55.01765	1.5
57.03333	1.3
58.00476	0.7
59.01266	19.2
60.99214	0.4
61.98730	0.6
69.03352	1.1
71.01271	20.5
71.58158	0.6
72.99203	1.1
73.02838	6.5
75.00767	1.1
81.03365	0.6
83.01278	2.6
84.02052	0.4
85.02841	8.5
85.03355	0.5
87.00778	1.0
89.02338	9.3
89.84731	0.4
93.03361	0.7
95.01283	1.8
97.02838	0.7
99.00789	2.8
101.02354	13.4
102.02657	0.4
105.03370	0.8
107.04951	0.8
108.02089	0.5
109.02866	1.6
111.00774	0.9
113.02369	8.8
115.05920	0.4
117.03384	1.0
119.03399	2.9
119.04910	0.8
121.02898	1.2
123.00803	2.8
123.04465	0.8
124.01588	15.8
125.02388	4.2
131.03432	1.0
132.02124	1.6
133.02884	33.5
134.03758	2.0
135.04449	16.2
135.05449	0.9
136.04808	1.2
137.02367	1.1
139.00294	0.6
139.03934	7.0
139.11267	0.6
143.03442	1.3
145.02901	1.0
147.04498	0.6
149.02335	0.6
149.04544	1.1
149.05984	1.0
150.03186	0.5
151.00327	2.6
159.02980	1.1
159.37248	0.4
160.01645	0.8
161.02396	100.0
161.04347	8.3
162.02742	5.3
163.00349	0.6
163.03918	0.9
164.00995	0.4
166.05038	1.0
175.03976	1.6
177.01952	0.5
177.05560	1.6
178.05055	1.6
178.99942	1.0
179.03467	8.2
179.05293	0.8
183.10268	2.6
193.01486	0.4
196.06145	0.4
203.03410	1.0
209.11824	5.4
215.03583	0.6
221.04585	1.1
227.12894	1.7
243.03026	2.6
244.03719	0.4
245.04752	0.7
253.09323	0.5
254.02373	0.4
255.03027	5.6
271.02533	12.7
271.05524	0.7
272.02963	1.7
281.07022	0.5
300.02817	20.0
301.03522	10.9
301.06927	0.8
302.03995	0.7
302.10358	1.2
307.08148	0.7
323.07791	6.2
324.07974	0.5
331.17700	10.0
331.21408	0.8
332.18091	0.8
337.09634	0.5
359.78192	0.4
375.16605	0.8
376.61295	0.9
377.11548	0.8
403.19662	1.2
454.12070	4.8
454.62445	1.7
455.12378	0.6
462.17947	0.6
463.12555	57.0
463.22046	26.4
464.13562	7.2
464.22568	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.0896
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04028	0.2
55.01767	0.3
59.01266	3.2
61.98715	0.5
63.02287	0.8
65.00209	1.1
71.01279	2.6
73.02837	0.5
83.01292	1.3
83.89771	0.3
85.02837	0.7
89.02338	1.4
101.02303	1.6
107.01304	2.7
108.02102	1.4
109.02885	1.7
113.02339	1.0
119.01282	0.3
119.03409	0.3
121.02898	2.0
131.03664	0.6
133.02875	0.6
135.00809	1.2
135.04434	0.8
139.03943	0.3
148.01599	1.7
149.02446	0.4
151.00304	11.1
153.01834	0.5
159.04440	0.5
161.02354	1.4
161.04539	0.6
163.00346	3.4
163.03888	0.3
164.01074	0.9
165.01926	0.5
169.01416	0.4
175.03922	0.4
178.99849	5.0
179.05524	0.3
183.04491	0.4
187.03908	0.9
188.04500	0.3
193.01411	0.5
194.85591	0.3
199.04030	1.0
201.05519	0.4
203.03485	0.7
211.04018	1.3
215.03426	0.8
216.04309	1.0
220.02512	1.2
220.72719	0.3
226.02737	2.2
227.03526	3.4
228.03877	0.4
229.04863	0.5
239.03725	0.4
243.00485	0.6
243.03018	12.8
244.01245	0.3
244.03362	1.5
245.04594	1.1
254.02290	2.6
255.03021	27.8
256.03412	2.2
271.02539	65.5
272.02997	6.8
273.04099	1.1
274.34244	0.3
283.02454	1.3
284.03235	0.4
299.02084	1.5
300.02811	100.0
301.03519	42.8
302.04001	3.0
331.17825	0.9
343.04803	0.6
462.65784	0.5
463.08929	75.4
464.08997	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.0893
Annotation	Unknow
Peak:m/z	Relative Intensity
58.19525	0.3
61.07802	0.4
63.02276	0.8
64.66663	0.3
65.00197	1.5
67.78426	0.3
70.97549	0.7
83.01270	0.9
93.03390	0.5
93.19723	0.4
99.57007	0.3
107.01292	3.6
108.02068	2.2
109.02841	1.6
121.02905	2.7
125.02404	0.4
135.00780	1.3
148.01605	1.7
150.99130	0.8
151.00307	13.4
152.00713	0.8
161.02435	0.4
163.00340	3.4
164.01027	0.9
169.01361	0.6
174.03082	0.4
178.99820	6.6
183.04454	0.8
187.03893	0.8
188.04715	0.5
192.00612	0.7
199.03984	1.7
201.01982	0.5
201.05576	0.6
203.03438	0.4
205.05222	0.4
211.04002	1.6
215.03493	1.0
226.02702	2.7
227.03473	3.9
228.04025	0.5
229.05092	0.9
239.03339	0.4
243.03036	14.7
244.03229	1.8
245.04588	1.8
254.02266	3.0
255.03023	33.1
256.03357	3.3
266.02060	0.4
271.02533	75.9
272.03003	9.4
273.04068	1.1
283.02548	1.3
299.02094	1.9
300.02808	100.0
301.03519	51.3
302.03940	4.6
310.32397	0.4
343.04718	0.4
463.08929	70.0
464.09192	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2343
Annotation	Mulberrofuran X
Peak:m/z	Relative Intensity
57.42815	0.5
59.01248	1.0
62.19622	0.3
62.39438	0.3
69.15315	0.3
69.73660	0.7
69.74087	1.8
72.09937	0.3
79.86658	0.4
93.03373	0.4
108.02074	4.0
109.02885	0.8
115.04711	0.4
117.03414	0.6
119.04926	1.2
123.04440	2.5
133.02866	1.1
134.03662	20.7
135.04031	1.1
140.58560	0.4
145.02879	2.2
146.03307	0.4
147.04443	0.4
149.06018	19.7
150.06348	0.7
161.02412	1.0
175.04037	0.5
177.01927	0.4
213.74803	0.4
219.08113	0.8
221.06026	0.6
221.88268	0.4
235.07722	0.7
237.05603	0.5
247.07724	1.1
249.05515	1.9
250.06358	1.5
251.07178	7.3
252.07700	0.7
263.07248	2.1
264.07935	1.8
265.08725	2.7
277.05090	1.0
279.06796	0.4
279.10254	1.2
279.23395	1.1
281.11542	0.5
291.06738	0.9
292.07327	1.7
295.06180	6.0
296.06570	0.6
299.16602	0.7
307.09802	11.6
308.10193	0.7
309.07959	0.6
325.10809	0.8
328.13181	1.2
337.18414	0.5
338.19165	0.5
343.14230	0.3
353.13211	0.4
431.18716	24.4
432.18964	4.0
445.20374	1.8
446.21085	3.2
447.21738	0.8
461.23459	100.0
462.23804	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	461.2041
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31849	0.3
55.01768	0.4
57.03363	0.3
59.01266	100.0
60.01609	1.1
61.98719	2.0
71.01271	4.2
71.04926	0.3
72.97405	0.3
72.99182	0.3
73.02847	1.2
74.02378	1.1
81.03342	0.4
83.01303	1.2
85.02856	1.5
89.02340	1.8
97.02858	0.4
97.06529	0.7
101.02344	3.2
101.02805	0.3
107.04938	0.4
109.06509	1.5
113.02372	2.2
117.03404	0.5
119.03413	0.5
121.02853	0.4
123.04442	0.6
123.38651	0.4
125.02379	1.8
130.16119	0.3
135.04469	1.1
143.03531	0.5
145.02902	1.2
149.06036	1.0
150.60603	0.3
151.00381	0.8
152.99545	0.9
153.12796	6.0
161.02467	0.5
161.04552	0.9
163.11244	0.9
169.01419	1.6
179.10748	1.8
197.11813	11.1
198.12140	0.6
207.10274	4.4
219.77315	0.4
225.11349	2.7
234.81187	0.4
253.09337	0.7
332.49951	0.4
333.40311	0.3
461.10388	0.7
461.16132	0.9
461.21286	1.1
462.27228	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2041
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01780	1.1
57.03343	11.1
58.00487	1.4
59.01265	44.6
59.52937	1.0
61.98710	9.1
68.56891	1.0
69.80137	6.0
70.12508	1.0
71.01270	29.9
72.99216	1.2
73.02837	6.9
75.00770	1.3
78.95815	1.3
81.03394	1.2
83.01305	2.1
85.02847	12.2
87.00777	3.4
89.02341	17.3
95.01297	2.6
95.04935	1.2
96.95940	3.0
96.96866	1.0
97.02879	2.7
98.20512	2.3
99.00785	7.7
100.23307	1.2
101.02344	16.1
106.21930	1.0
107.04956	1.3
110.98428	1.5
111.00810	1.4
113.02349	11.5
119.03410	5.6
121.06496	13.5
123.04448	2.6
123.08077	4.6
131.03444	3.1
131.08618	2.9
133.06552	3.0
134.03723	2.2
135.04465	11.2
135.08084	5.1
139.07558	1.3
141.09187	1.4
143.03455	2.9
144.05701	11.0
147.04514	1.5
149.02435	1.0
149.04521	1.1
149.06091	2.6
149.09668	26.9
150.10056	1.8
151.07603	11.3
151.11208	1.5
159.02936	2.6
159.08090	12.6
161.02444	1.8
161.04515	18.4
161.06020	3.4
161.09662	5.2
162.04840	1.1
163.06316	1.6
163.07552	7.2
165.05530	1.7
165.09161	2.3
173.09688	2.4
175.07610	1.2
175.11252	2.1
177.09172	100.0
178.09535	6.2
179.05652	2.3
179.10773	10.0
188.08376	6.9
191.05641	3.2
191.10710	2.5
193.12297	2.8
203.10748	26.5
205.08704	4.4
206.09464	9.1
209.11761	1.4
221.11841	85.7
222.12163	6.7
239.12910	36.8
240.13289	2.2
315.10785	2.5
329.12665	1.4
401.18256	58.9
402.18512	8.3
461.10760	1.4
461.16705	22.1
462.17053	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	461.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
66.17097	0.4
71.58720	0.3
72.29015	0.3
77.97173	0.3
88.38153	0.4
93.03358	1.8
98.56765	0.3
117.03380	61.7
118.03673	1.4
118.04288	1.1
118.26480	0.3
119.04948	44.9
120.05315	1.9
121.02872	38.2
122.03236	1.6
123.04440	11.7
132.05714	0.5
133.02876	9.0
134.03674	4.2
145.02890	84.3
146.03246	4.0
149.02364	0.9
162.03180	11.8
163.03961	42.0
163.53511	0.4
164.04266	2.0
172.08891	0.4
230.61050	0.3
297.15012	19.5
298.15356	3.1
315.16086	10.4
316.16354	1.3
435.40063	0.4
461.19815	100.0
462.20172	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	461.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53957	0.2
54.06895	0.2
59.01278	0.3
70.88210	0.6
91.87574	0.2
93.03375	0.2
93.07004	0.4
94.20088	0.2
117.03378	19.7
118.03586	0.3
118.04270	0.3
119.04945	28.4
120.05314	1.2
121.02867	4.5
121.03682	0.4
123.04448	1.5
127.58751	0.2
133.02873	0.8
134.03613	0.2
145.02887	76.4
146.03226	3.7
147.04411	0.3
153.67661	0.2
162.03151	1.6
163.03957	32.5
164.04312	1.7
189.05605	0.2
269.11887	5.1
270.12238	0.4
297.15012	20.1
298.15366	2.0
315.15994	1.9
364.80081	0.3
443.39758	0.2
461.19781	100.0
462.20135	17.5
462.26846	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1981
Annotation	Allanxanthone B
Peak:m/z	Relative Intensity
50.16095	0.1
59.01263	0.5
61.98725	0.5
62.19244	0.1
64.97461	0.1
71.01252	0.2
71.05292	0.1
71.58071	0.2
81.43333	0.1
93.03353	0.4
93.07001	0.2
117.03375	24.4
118.03648	1.1
119.04942	9.8
120.05306	0.6
121.02872	5.9
122.03151	0.2
123.04439	2.0
129.03397	0.9
130.04155	0.5
131.04971	0.2
133.02878	1.4
134.03725	0.6
145.02885	78.6
146.03226	4.0
147.04424	0.4
151.11282	0.2
153.12767	0.2
157.02863	0.6
159.04437	0.7
160.01591	0.1
162.03174	2.0
163.03951	7.2
164.04234	0.3
217.08727	0.5
221.06024	0.2
223.07684	0.3
234.06828	0.3
235.07657	3.1
235.10039	0.2
236.08003	0.4
244.05304	0.1
245.05965	0.1
249.05675	1.0
263.07181	1.1
265.08798	0.3
265.22012	0.2
269.11896	3.4
270.12173	0.3
281.08395	0.2
283.09833	0.2
291.06689	0.2
297.15009	20.6
298.15363	2.7
307.06210	1.7
309.07791	0.5
311.16592	3.1
312.16827	0.3
315.15945	0.7
323.16602	0.2
417.15808	0.2
417.20786	2.5
418.21173	0.4
461.19778	100.0
462.20142	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	461.1981
Annotation	Allanxanthone B
Peak:m/z	Relative Intensity
50.49835	0.3
59.01207	0.4
59.53638	0.4
60.42396	0.4
70.36122	1.4
94.60947	0.4
98.13687	0.3
117.03380	21.1
118.03644	0.5
119.04946	14.8
120.05234	0.6
121.02879	3.0
123.04430	0.9
132.66068	0.4
133.02853	0.8
135.19345	0.4
145.02890	91.7
146.03221	5.0
162.03206	1.1
163.03955	17.3
164.04253	0.8
189.05588	0.6
262.69357	0.4
269.11874	2.6
270.12238	0.5
297.15033	13.8
298.15399	1.4
315.16064	7.8
316.16318	0.5
461.19794	100.0
462.20139	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	461.198
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01264	0.4
83.59266	0.2
93.03367	0.6
97.96729	0.2
98.19772	0.4
117.03391	2.4
119.04947	55.4
120.05288	2.2
121.02898	0.6
123.04449	0.2
135.04442	0.4
145.02892	5.3
146.03194	0.2
146.51988	0.2
158.15848	0.2
162.03276	0.2
163.03958	100.0
164.04291	4.5
210.06816	0.2
253.08942	0.2
297.14996	0.7
313.42517	0.2
315.16089	1.1
353.66183	0.2
461.19785	11.3
462.20300	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	461.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
55.87450	0.2
59.01262	0.5
59.37996	0.2
62.76813	0.2
67.60755	0.2
70.69402	0.6
70.69762	0.2
74.01543	0.2
78.28800	0.2
93.03371	0.5
93.07083	0.3
101.02327	0.3
116.02551	0.2
117.03371	22.1
118.03712	0.9
119.04939	46.2
120.05278	1.8
121.02872	4.3
122.03249	0.3
123.04444	1.6
133.02847	1.0
134.03638	0.3
135.04434	0.5
145.02884	84.2
146.03220	4.2
147.04433	0.3
156.61890	0.2
162.03177	1.4
163.03951	64.8
164.04292	3.2
269.11859	5.5
270.12341	0.4
281.24954	0.4
297.15005	20.6
298.15363	2.4
308.96503	0.2
315.16061	2.0
316.16165	0.3
344.94830	0.2
461.19760	100.0
462.20111	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	461.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
68.67842	0.4
70.51060	1.1
90.86472	0.4
98.31728	0.4
98.32435	0.4
113.17474	0.4
117.03379	26.8
118.03622	0.7
119.04948	18.3
120.05263	0.6
121.02894	3.4
123.04431	1.1
133.02841	0.7
145.02890	96.6
146.03238	4.5
162.03178	1.6
163.03958	18.5
164.04288	1.0
189.05511	1.0
219.62054	0.4
230.34196	0.4
243.46759	0.4
269.11856	3.1
297.15039	14.3
298.15329	1.8
299.54117	0.4
307.89636	0.4
315.16083	5.7
316.16385	1.0
461.19797	100.0
462.20111	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	461.1678
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01766	0.9
57.03330	1.0
58.00473	1.3
58.94917	0.3
59.01268	35.7
60.01604	0.5
69.03343	0.7
69.83205	2.0
71.01273	20.9
72.99190	3.2
73.02838	10.9
79.35157	0.3
83.01279	1.8
85.02846	8.0
85.99998	2.1
86.03215	0.3
87.00777	9.2
87.04415	3.7
89.02345	10.1
90.02687	0.4
95.01279	1.1
97.02859	0.5
99.00759	0.8
99.04392	0.5
101.02349	9.8
102.02688	0.4
103.03924	2.5
113.02361	6.1
115.03934	4.4
119.03442	4.0
122.87625	0.3
123.04420	2.7
131.03426	5.6
134.03629	0.6
135.04456	20.0
136.04832	0.9
143.03435	4.3
145.04956	1.1
153.05527	1.3
161.04401	0.4
163.06062	2.9
204.93597	0.4
205.07155	4.0
247.08525	0.4
297.10025	0.6
315.10922	12.4
316.11288	0.8
430.73163	0.3
443.22632	0.5
461.16763	100.0
462.17096	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	461.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
69.99844	1.6
74.27944	0.3
77.70870	0.4
82.83189	0.4
88.46093	0.4
98.88344	0.4
117.03379	26.0
118.03699	1.1
119.04948	5.5
121.02878	1.8
123.04445	0.7
133.02911	0.6
145.02890	100.0
146.03220	5.4
147.04308	0.4
162.03134	0.6
163.03955	3.0
210.06882	0.8
211.07631	8.0
212.07892	0.5
297.15005	2.2
315.16098	13.0
316.16425	1.3
395.60126	0.4
457.55200	0.5
461.19794	81.9
462.20123	16.9
470.89120	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1676
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	0.6
58.00475	1.6
59.01265	39.3
61.89329	0.6
64.75044	0.5
70.89491	1.3
71.01270	17.7
72.99199	2.3
73.02839	7.0
81.03304	0.6
83.01278	1.9
85.02850	6.2
85.99995	1.4
87.00771	6.6
87.04427	2.6
89.02338	14.5
101.02350	16.0
103.03903	1.2
113.02357	4.7
115.03944	3.6
119.03414	10.4
123.04432	3.2
131.03400	4.3
135.04451	42.9
136.04779	1.7
143.03455	4.6
145.05052	1.0
153.05498	2.9
163.06038	1.4
167.03455	0.7
188.25829	0.6
205.07182	2.6
269.48593	0.6
315.10916	19.2
316.11209	1.6
461.16751	100.0
462.17084	11.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1677
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63676	1.6
55.01766	3.1
57.03336	6.0
59.00956	2.3
59.01263	54.7
61.98718	6.4
69.55547	12.2
71.01270	77.2
72.01615	2.9
72.99198	6.7
73.02831	22.8
75.00769	11.5
83.01273	11.6
85.02831	27.0
87.00774	7.6
89.02334	25.9
95.01299	6.1
97.02891	4.1
99.00779	10.9
101.02342	56.6
111.00811	2.6
113.02351	30.1
113.18520	1.6
114.02759	1.6
115.03883	1.8
119.03412	5.2
123.04401	2.3
125.02377	3.8
131.03416	6.7
133.02852	1.9
133.25545	1.6
135.04434	14.9
143.03442	6.2
149.02406	1.9
149.04527	2.8
151.04021	2.5
154.01384	11.0
159.02972	5.4
161.02405	3.8
161.04494	33.1
162.42453	1.8
165.05492	2.1
179.05534	2.2
203.10669	2.0
221.11819	2.4
223.64503	1.7
269.10373	87.2
270.10724	5.4
290.79819	1.7
303.48715	1.6
315.11011	6.6
401.14584	100.0
402.14877	11.2
461.16629	31.6
466.91431	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1676
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01776	0.2
58.00477	0.6
59.01265	13.0
71.01273	8.7
71.44919	0.5
72.99207	1.3
73.02837	8.0
75.00746	0.3
83.01282	0.6
85.02847	3.8
85.99963	0.6
87.00772	4.3
87.04411	2.5
89.02335	4.8
97.02863	0.5
99.00746	0.4
99.04439	0.3
101.02345	7.9
103.03913	3.0
113.02357	1.7
114.47336	0.3
115.03926	2.9
119.03401	1.4
123.04440	1.8
125.02352	0.8
125.13616	0.2
131.03427	5.5
135.04451	17.3
136.04776	0.7
143.02365	0.4
143.03430	5.8
145.05019	1.1
153.05513	1.1
161.04454	0.4
163.06068	3.5
205.07172	5.1
221.11813	0.5
299.11313	0.6
315.10846	1.6
461.16736	100.0
462.17148	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	461.1674
Annotation	Forsythoside E
Peak:m/z	Relative Intensity
52.98323	0.2
55.01762	0.6
57.03334	0.9
58.00494	1.5
59.01267	31.8
60.01599	0.3
69.03352	0.4
71.01273	18.2
71.56182	0.4
72.99198	2.4
73.02840	8.0
75.00758	0.5
78.95792	1.1
83.01287	1.5
85.02843	6.6
85.99984	1.5
87.00774	7.4
87.04419	3.1
89.02339	14.3
95.01297	0.8
96.95923	0.5
96.96877	1.0
101.02348	14.9
103.03915	2.2
107.04933	0.4
113.02367	5.5
115.03925	3.8
117.78923	0.3
119.03421	9.0
120.03762	0.3
123.04443	3.3
125.02396	0.7
127.03918	0.4
130.43877	0.3
131.03421	5.8
134.03630	0.6
135.04456	35.0
136.04791	1.4
143.03441	6.6
145.05023	1.2
149.02306	0.4
149.04507	0.9
153.05518	3.0
161.04572	0.7
163.06073	2.7
179.05624	0.4
191.05573	2.7
205.07159	4.8
223.82544	0.3
297.10181	0.3
315.10947	16.2
316.11249	1.6
373.93408	0.3
461.16754	100.0
462.17087	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	461.1464
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03336	0.4
59.01267	5.5
69.70866	2.3
71.01273	4.8
72.01640	0.4
73.02837	1.1
83.01268	0.6
85.02816	1.9
87.00778	0.6
89.02351	1.8
95.01309	0.4
101.02351	2.9
109.02853	0.5
113.02348	2.4
117.03381	23.1
118.03726	1.3
119.03474	1.1
119.04940	14.8
120.05280	0.7
121.02848	0.4
123.04442	1.4
133.02881	4.3
133.06436	0.5
135.04446	7.4
137.02377	0.6
143.03510	0.4
145.02888	100.0
146.03229	5.1
149.02376	0.6
149.05988	1.2
150.06319	0.7
151.06767	0.4
153.05566	1.4
161.02385	12.0
161.04462	0.6
161.05983	0.4
162.02824	0.5
163.03960	12.5
164.04292	1.1
175.04123	0.4
177.01907	1.1
177.05478	0.5
179.03510	0.8
233.57466	0.5
249.07732	0.5
297.09866	4.1
298.10147	0.4
315.10986	2.5
341.08875	2.1
461.14661	39.1
462.15161	5.6
488.84424	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1468
Annotation	CHEBI:65664
Peak:m/z	Relative Intensity
54.55655	0.2
55.01783	0.2
55.13401	0.2
57.03354	0.4
58.00480	0.2
59.01266	9.0
59.05544	0.2
60.84486	0.2
62.42700	0.1
69.03326	0.1
69.26738	1.0
69.27177	0.6
71.01272	7.6
72.01619	0.2
72.99226	0.4
73.02837	2.0
75.00780	0.3
83.01295	0.6
85.02841	3.2
85.99998	0.2
86.03195	0.2
87.00782	1.0
87.04417	0.4
89.02343	3.8
89.03900	0.3
93.03369	0.4
95.01307	0.9
97.02872	0.2
98.78032	0.1
99.00790	0.6
101.02348	3.7
103.03925	0.3
107.04937	0.3
109.02898	0.3
112.59166	0.2
113.02367	4.3
115.03932	0.5
117.03381	22.8
118.03690	0.8
119.03462	1.4
119.04948	23.0
120.05270	0.9
121.02865	0.4
123.04436	2.1
124.03929	0.2
124.04781	0.2
131.03485	0.8
132.05750	0.2
133.02878	0.7
133.06548	0.8
134.03590	0.2
135.04453	10.1
136.04778	0.4
137.02359	0.3
143.03445	0.6
145.02893	100.0
146.03233	4.8
147.04460	0.2
149.04541	0.4
149.05994	0.4
153.01839	0.3
153.05486	1.1
161.02405	1.7
161.04637	0.2
161.06012	2.1
162.03049	0.2
163.03960	23.7
164.04285	1.2
165.25874	0.2
171.31595	0.2
177.02046	0.2
177.05530	1.4
179.03503	0.4
187.04015	0.5
205.05022	1.9
205.07108	0.4
207.10172	0.5
225.11365	0.8
235.06020	0.3
265.07144	0.8
281.17740	0.2
297.09875	5.6
298.10135	0.5
299.01990	0.3
300.02484	0.2
301.03702	0.2
315.10938	4.8
316.11157	0.4
387.33301	0.1
428.31635	0.2
461.14676	36.8
462.14996	5.1
475.15549	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1103
Annotation	Isorhamnetin 3-rhamnoside
Peak:m/z	Relative Intensity
52.26169	0.6
55.27566	0.6
59.01267	12.4
60.01601	0.7
61.98717	1.8
70.86483	0.6
71.01273	5.0
71.57762	0.8
72.99155	0.7
73.02831	1.9
83.01270	1.6
85.02836	1.8
87.00779	1.5
89.02345	3.9
93.03406	0.6
97.02883	0.6
101.02349	3.4
107.01289	1.1
109.02899	0.9
113.02351	1.8
117.03396	1.7
119.03413	1.6
119.04935	1.4
121.02940	0.8
121.35128	0.7
123.04455	0.8
125.02354	1.7
131.03421	1.2
133.02898	5.7
134.03670	0.8
135.04462	10.6
136.04762	0.7
143.03482	0.8
145.02898	6.8
147.04526	0.7
149.06035	5.1
150.06361	3.5
151.00320	2.7
153.01884	1.5
159.26344	0.6
161.02397	14.4
161.04495	1.0
162.02699	0.9
163.03998	1.4
169.01378	0.7
173.02438	0.6
179.03459	7.8
182.28540	0.6
183.10226	1.2
199.03954	4.9
201.01933	1.2
203.03532	1.0
207.10287	1.4
215.03523	3.6
227.03528	5.1
229.01433	0.9
242.02229	9.0
243.03020	41.1
244.03363	2.5
245.01015	0.6
255.03035	2.3
257.04596	13.2
258.04672	0.9
270.01740	12.0
271.02536	48.8
272.02902	3.9
285.04120	22.6
286.04810	8.1
288.96057	0.7
297.09744	0.9
298.04724	0.7
299.02039	18.6
299.05347	0.9
300.02768	12.4
301.03296	1.9
314.04398	51.0
315.05002	8.3
315.11047	1.8
343.12936	1.2
357.06339	0.8
401.22052	0.6
461.11005	100.0
461.16461	6.7
462.11270	13.5
462.17282	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1465
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01780	0.2
57.03350	0.4
58.00489	0.4
59.00090	0.2
59.01266	10.2
60.99201	0.3
69.03340	0.2
71.01271	5.9
71.58032	0.2
72.99210	0.7
73.02837	1.5
75.00774	0.2
76.18597	0.2
83.01289	0.6
85.02845	2.1
87.00791	1.2
87.04439	0.4
88.98721	1.5
89.02341	5.1
93.03374	0.5
95.01289	0.4
99.00797	0.3
101.02342	4.2
103.03905	0.2
106.15773	0.2
107.04961	0.4
113.02366	2.2
115.03906	0.2
116.65284	0.2
117.03378	16.7
118.03736	0.8
119.03500	1.8
119.04944	7.9
120.05307	0.3
121.02901	0.6
123.04417	1.0
125.02390	0.3
126.10697	0.2
127.07626	0.3
131.03456	0.7
133.02861	0.7
133.06516	1.0
135.04453	9.2
136.04774	0.4
137.06026	0.3
143.03427	0.6
145.02890	100.0
146.03233	4.6
147.04498	0.3
149.04491	0.2
151.00389	0.2
153.05507	0.7
153.40329	0.2
155.07118	0.2
161.02406	2.3
161.04575	0.5
161.06038	2.4
162.02832	0.3
163.03957	7.1
163.06041	0.4
177.05537	1.2
179.03471	0.7
179.05536	0.4
183.10213	0.2
188.53992	0.2
191.01996	0.3
192.07423	0.2
197.11775	0.3
200.06277	0.2
205.05032	1.8
205.07080	0.5
207.10237	0.9
225.11269	0.9
235.06053	0.3
241.07292	0.4
242.02197	0.2
255.03055	0.4
265.07239	1.1
281.17590	0.3
283.02652	0.3
284.03308	0.2
285.03680	0.2
297.09836	0.8
299.02020	0.5
299.05545	0.3
300.02704	0.3
301.03461	0.6
315.10907	5.1
316.11172	0.7
317.44290	0.2
461.14667	27.3
461.60703	0.2
462.14990	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	460.1262
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	1.2
61.98718	100.0
62.81374	0.1
62.98415	0.1
71.01292	0.4
71.58120	0.2
89.02329	0.3
89.23814	0.1
93.03345	1.0
99.62951	0.1
101.02375	0.2
114.56672	0.1
117.03393	0.1
119.04961	1.0
135.04440	0.2
137.02383	2.8
145.02925	0.9
161.02426	0.2
163.03964	1.3
209.34514	0.2
239.55359	0.1
326.68359	0.1
397.13013	2.6
397.17825	0.2
398.13931	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.1262
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	1.6
61.98719	100.0
71.01271	0.6
71.57739	0.3
73.02856	0.2
89.02351	0.3
93.24644	0.2
97.22207	0.2
101.02413	0.2
113.02365	0.2
117.03382	0.2
119.04969	1.2
121.02878	0.4
135.04420	0.3
145.02884	0.9
161.02361	0.4
163.03967	1.4
179.03554	0.3
212.70175	0.2
271.80606	0.2
397.13058	2.0
398.13287	0.2
461.08813	0.2
461.15421	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2613
Annotation	Cosmosporaside B
Peak:m/z	Relative Intensity
55.01759	0.5
59.01266	100.0
60.01599	1.4
61.98714	0.8
69.22181	1.5
69.22614	1.4
71.01270	6.2
73.02834	2.5
83.01302	1.1
85.02849	2.5
89.02338	2.4
90.98898	0.2
97.02878	0.3
97.21651	0.3
99.00803	0.8
101.02353	5.3
113.02358	3.3
119.03433	0.9
119.04946	0.5
121.02913	0.4
125.02427	0.3
133.02834	0.3
135.04503	0.4
143.03435	0.4
151.03966	0.4
159.02911	0.5
161.02469	0.6
161.04488	3.1
163.03938	0.4
179.05547	0.4
261.75067	0.3
299.02103	0.3
399.23956	7.7
400.24435	1.0
417.25046	1.7
443.22830	1.4
459.09259	0.3
459.26334	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2611
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01778	0.2
57.03341	0.5
59.01265	100.0
60.01598	1.1
61.98718	1.4
71.01269	4.8
71.50941	0.3
72.01595	0.2
73.02831	1.4
75.00740	0.2
78.95805	0.7
83.01287	0.7
85.02847	2.0
89.02346	1.6
95.01286	0.4
99.00795	0.5
99.04434	0.2
101.02344	2.9
101.06014	0.2
101.38121	0.2
102.02680	0.2
113.02364	2.3
119.03434	0.6
119.96588	0.2
123.04467	0.3
125.02373	0.5
131.03410	0.2
133.02895	0.2
135.04428	0.3
143.03448	0.7
145.02890	0.4
151.03966	0.3
152.99539	1.3
159.02966	0.5
161.02438	0.6
161.04495	3.5
164.03386	0.2
165.09207	0.5
179.05571	0.4
180.59331	0.2
205.03442	0.2
228.23723	0.2
262.13330	0.2
315.04941	0.2
390.76367	0.2
399.23880	3.5
400.24347	0.6
417.25089	0.6
443.23044	0.6
459.15021	0.6
459.25861	0.6
459.30774	0.6
459.65854	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.1108
Annotation	Unknow
Peak:m/z	Relative Intensity
55.81495	0.2
59.01263	1.3
61.98719	16.0
70.76016	0.4
70.76389	0.4
71.01295	0.2
85.02844	0.2
89.02348	0.2
101.02366	0.4
108.02106	0.2
110.72857	0.2
113.02402	0.2
118.12910	0.2
119.04961	0.3
121.02838	0.3
122.03637	0.4
131.03407	0.2
131.04948	0.2
134.03676	0.3
145.02895	0.4
147.04420	0.8
148.05226	0.9
149.06021	100.0
150.06371	5.2
158.90388	0.2
161.02409	0.3
172.85266	0.2
177.46704	0.2
268.13403	0.2
281.06851	0.3
301.03638	0.6
341.64633	0.2
353.12463	7.2
354.12900	0.8
452.29596	0.2
461.16666	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.1108
Annotation	Unknow
Peak:m/z	Relative Intensity
58.80743	0.5
59.01265	8.0
59.89228	0.5
61.98718	4.3
71.01267	3.1
71.57768	1.1
85.02846	1.3
87.00768	1.1
89.02331	1.8
96.95901	0.8
101.02374	1.6
113.02313	1.0
119.03397	0.8
119.04924	1.3
125.02326	0.6
129.01781	0.7
130.47234	0.6
133.02893	1.3
134.74600	0.6
135.04442	2.7
143.03465	0.6
145.02882	4.7
147.04369	0.8
148.05202	1.6
149.06018	100.0
150.06328	5.5
151.07553	0.6
161.02374	2.6
161.04517	0.6
163.03940	1.4
175.52997	0.7
177.00954	0.6
178.99657	0.7
179.03572	0.6
199.03998	0.8
199.09006	0.5
215.03352	0.8
227.03596	0.6
242.02295	1.1
243.03017	5.8
255.02940	1.0
257.04642	2.3
270.01724	1.4
271.02548	7.0
285.04123	3.8
299.02087	2.0
300.02734	1.8
311.11444	18.6
312.11758	0.9
314.04410	8.3
315.05139	5.0
353.12421	4.8
461.11090	16.6
461.16495	2.9
461.24026	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1823
Annotation	Dulcisxanthone D
Peak:m/z	Relative Intensity
50.43509	0.1
59.01262	1.0
61.98705	0.4
69.89410	0.3
69.89828	0.5
83.75241	0.1
91.17622	0.1
117.03353	0.4
119.04945	0.2
121.02860	0.4
123.04440	0.1
139.11273	0.2
145.02898	1.4
151.04039	0.2
157.51093	0.2
163.03922	0.3
215.04999	0.5
217.06584	4.2
218.06898	0.4
219.04607	0.2
219.08101	0.6
222.07126	0.1
233.06073	1.1
234.06808	0.3
235.07658	1.9
236.08127	0.2
237.05605	0.3
237.09109	0.7
243.04463	0.5
244.05344	1.9
245.06061	3.2
246.06546	0.3
260.04770	0.7
261.05603	3.9
262.06094	0.5
263.07190	8.9
264.04758	0.1
264.07458	0.7
279.06555	0.8
281.08209	0.9
289.05099	3.9
290.05588	0.4
307.06204	6.0
307.09711	0.4
308.06381	0.7
315.16061	0.4
316.16422	0.3
317.16858	0.2
325.07114	0.2
351.08722	1.1
355.96234	0.2
415.19336	0.5
431.18976	0.9
432.19321	0.2
432.49088	0.1
459.18222	100.0
460.18561	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	459.2248
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03339	3.4
57.17941	0.3
59.01264	100.0
60.01604	1.2
61.98717	1.0
71.01273	5.3
71.57697	0.4
73.02832	2.1
83.01279	0.8
83.90386	0.4
85.02863	1.2
89.02345	3.2
95.01289	0.4
99.04430	2.5
101.02349	5.1
108.39529	0.4
113.02349	2.1
119.03432	1.5
122.50669	0.4
125.02376	0.6
127.50657	0.4
143.03491	0.5
149.04518	0.6
152.99580	0.6
161.02403	0.8
161.04510	2.9
179.05580	0.8
193.18530	0.4
222.87303	0.3
223.13364	2.2
253.09361	0.8
259.98111	0.4
279.32849	0.4
285.04062	2.6
315.18192	4.7
316.18527	0.6
327.21762	0.6
354.99509	0.6
357.19257	3.4
398.98077	0.6
399.24115	1.5
401.08456	0.4
471.03821	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2613
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10818	0.3
55.01769	0.7
58.39984	0.3
59.01267	100.0
60.01609	1.2
61.98719	0.9
68.55061	0.3
71.01276	5.8
71.58001	0.5
72.99210	0.6
73.02841	2.7
83.01280	1.2
85.02834	2.4
86.00032	0.3
89.02341	2.3
99.00794	0.4
101.02348	4.8
102.62615	0.3
112.55844	0.3
113.02378	3.4
119.03413	0.9
119.04967	0.5
121.02909	0.4
125.02408	0.5
135.04524	0.3
143.03355	0.4
151.03918	0.5
161.02461	0.4
161.04480	4.0
163.03955	0.4
172.72688	0.3
179.05586	0.4
183.47411	0.3
198.24277	0.3
236.66747	0.3
271.02557	0.3
399.23962	8.0
399.28806	0.5
400.24469	1.2
417.24979	1.5
443.22757	1.5
459.25549	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1521
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03342	1.2
58.00492	0.7
59.00991	0.9
59.01263	11.6
67.15923	0.6
70.47036	1.5
70.47419	1.1
71.00886	0.8
71.01270	7.4
72.51768	0.6
72.99181	1.3
73.02839	1.6
75.00757	0.6
76.19218	0.5
82.84892	0.5
83.01255	1.2
83.47733	0.5
84.86067	0.6
85.02843	3.2
87.00783	0.9
89.02342	6.5
91.05418	0.8
91.98894	0.6
93.03354	1.8
95.01270	0.6
96.95921	0.6
101.02351	5.9
105.03409	0.6
107.04907	1.3
111.00743	0.6
113.02361	2.3
117.03397	2.2
118.98018	0.7
119.03431	2.7
123.04443	5.5
125.02354	0.9
131.03439	0.6
132.02162	1.1
133.02881	23.1
134.03706	5.2
135.04445	83.3
135.06587	1.9
136.04778	4.3
137.02377	0.7
139.04051	0.6
150.03175	0.8
151.03967	1.8
153.05511	8.4
161.02385	91.2
162.02757	4.4
163.04007	1.1
175.03937	0.8
179.03456	53.5
180.03790	3.2
203.03497	0.7
293.08905	0.7
297.09482	0.7
315.10925	2.6
316.11209	0.7
357.11993	1.3
378.11380	3.9
378.61633	0.9
458.64243	1.6
459.15170	100.0
460.15552	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	459.1522
Annotation	Paeonolide
Peak:m/z	Relative Intensity
51.91727	0.8
58.00475	1.0
59.01262	22.6
60.77980	0.7
61.37433	0.8
61.98714	1.2
68.91306	0.9
71.01266	19.8
71.59781	1.7
72.99194	2.5
73.02831	10.6
85.02798	1.8
87.00788	1.1
89.02333	27.5
93.03363	2.9
96.95942	1.1
97.02823	1.1
99.00777	18.5
101.02364	10.5
105.03284	1.2
108.41935	0.8
113.02349	3.4
117.03352	1.9
118.98025	0.9
119.03440	1.5
119.04942	5.1
123.04427	3.1
125.02353	1.8
131.03412	3.4
133.02888	11.5
134.03650	2.3
135.04449	40.3
136.04762	2.3
145.02905	1.1
147.03291	1.9
147.04457	35.0
148.04779	2.3
149.04486	5.2
151.03941	2.5
153.05481	2.9
161.02390	45.6
162.02765	2.5
163.03957	3.2
164.91190	0.9
165.05524	15.9
170.10034	1.0
179.03447	22.3
179.61955	0.9
180.03798	2.3
191.05608	6.6
195.33704	0.9
196.67183	0.9
208.03075	0.8
233.92259	0.9
247.49359	0.9
315.10980	1.2
342.83136	0.9
363.36194	1.0
378.11505	3.3
378.61563	1.0
458.64078	1.4
459.15176	100.0
460.15472	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	458.1468
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30587	0.2
59.01266	0.6
61.00237	0.2
61.98716	100.0
71.59370	0.2
99.10509	0.3
117.03378	0.6
118.54678	0.2
119.04919	0.6
124.69151	0.3
133.02937	0.4
145.02904	2.4
146.03241	0.5
149.06075	0.3
154.76987	0.2
163.03979	0.5
191.82553	0.2
214.41565	0.2
236.08876	0.2
315.16135	0.9
316.16483	1.0
395.14935	0.7
458.01346	0.7
458.17624	0.5
459.17477	0.4
459.23752	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1518
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03333	1.1
59.01266	7.6
71.01272	5.6
71.59470	0.4
72.99202	1.3
73.02834	2.1
75.00773	0.5
83.01311	0.7
83.04929	2.0
85.02842	2.0
87.00779	1.6
89.02338	2.7
93.03371	0.5
95.01302	0.6
95.04951	1.0
99.00785	2.7
99.01334	0.4
101.02332	4.0
103.03884	0.8
107.04938	1.3
108.02078	0.5
109.02866	0.6
111.00812	2.0
113.02343	1.8
113.03091	0.4
116.92772	1.2
119.03428	1.1
122.03672	0.9
123.04439	67.5
124.04748	2.5
125.02348	1.6
129.01845	1.1
133.02847	0.4
135.04486	0.7
141.01900	0.5
147.04448	0.9
149.37178	0.4
150.03200	2.3
151.03949	10.5
151.32928	0.4
152.04303	0.7
153.05513	100.0
154.05852	5.5
159.02936	2.7
161.02411	1.3
163.06049	0.9
165.05502	1.5
177.09224	0.7
179.03445	0.7
189.12726	0.4
205.07146	0.7
208.53203	0.4
243.88350	0.5
247.08139	0.4
305.08850	1.5
459.14410	2.4
459.18768	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	458.1316
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28807	0.6
55.73395	0.6
59.01258	1.6
71.01257	0.8
71.57829	0.9
71.58236	0.8
72.99175	0.8
73.38791	0.6
89.02352	0.7
89.41468	0.6
90.03360	1.2
93.03360	23.0
94.03721	0.9
101.02345	0.8
101.35391	0.6
107.03677	1.4
107.29659	0.6
108.04466	1.2
109.02794	0.5
113.02355	0.9
118.02903	49.8
119.03275	2.4
119.51859	0.7
121.02868	2.2
123.04447	1.9
124.01709	0.5
134.02385	0.5
135.04413	0.8
137.02406	1.0
146.92625	0.6
150.03107	0.9
150.55739	0.6
151.03856	0.9
152.48932	0.6
153.05534	2.5
155.35544	0.5
163.06073	0.6
164.03485	100.0
165.01871	1.3
165.03835	4.5
165.05182	0.6
165.05515	0.5
266.89514	0.5
294.13492	0.7
458.06638	0.4
458.13098	11.8
458.19434	0.7
459.14282	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	457.3183
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	100.0
60.01601	1.0
61.35457	0.5
64.00014	0.5
69.69649	1.2
69.70055	2.6
75.90083	0.6
130.51099	0.5
149.06024	3.8
165.61757	0.6
279.23370	19.4
280.23798	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	457.2819
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76557	0.3
55.01761	0.8
56.25624	0.3
57.03339	0.7
58.00489	1.7
59.01265	34.9
61.98707	1.0
71.01270	21.8
71.30669	0.4
71.58176	0.5
72.01604	0.3
72.99193	2.3
73.02833	1.3
81.32433	0.3
83.01276	2.0
83.45940	0.4
84.51125	0.3
85.02843	6.1
87.00761	1.1
89.02337	15.9
90.02672	0.5
95.01289	1.7
96.96863	0.5
99.00776	0.6
101.02345	12.3
104.70574	0.3
111.00828	0.5
113.02350	7.0
117.03394	2.2
119.03441	6.1
119.04938	6.7
120.05244	0.5
121.02888	2.3
123.04443	0.8
133.02869	1.7
143.03412	0.6
145.02908	4.8
146.03261	0.5
149.06039	3.5
161.02344	0.6
161.04445	0.4
162.03183	1.6
163.03966	6.2
174.99216	0.9
179.05620	0.5
211.18704	0.3
217.00284	2.5
222.92422	0.3
223.17087	2.1
259.02106	0.4
277.21765	8.8
278.22043	0.7
295.22849	5.3
296.23105	0.6
302.35699	0.4
303.90411	0.4
305.89682	0.5
313.14557	1.4
314.15009	0.6
315.16077	12.3
316.16467	1.4
374.99335	1.2
397.15094	0.6
421.05234	0.7
439.27057	1.4
457.02902	1.9
457.17413	4.9
457.28174	100.0
458.01785	4.0
458.17673	1.4
458.28491	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	457.2452
Annotation	Unknow
Peak:m/z	Relative Intensity
57.48675	0.4
58.00486	0.4
59.01265	100.0
60.01610	1.2
61.98719	2.4
63.67957	0.4
66.62500	0.4
71.01273	8.0
71.59143	0.7
72.99195	0.7
73.02841	0.4
75.65929	0.4
83.01321	0.6
85.02864	1.4
87.00784	1.1
89.02335	11.2
93.22913	0.5
101.02345	5.0
104.92089	0.4
105.30207	0.4
113.02352	3.7
117.03371	0.4
119.03422	5.4
119.04923	0.7
131.03429	0.9
133.02925	1.8
133.06561	0.5
135.04424	1.0
135.95567	0.5
143.03409	1.0
145.02757	0.6
146.03723	0.7
149.06012	3.5
161.02382	4.2
161.04500	1.0
163.04019	0.6
164.04784	0.7
174.99214	0.7
175.41397	0.4
178.06270	0.5
179.03471	0.6
179.05603	1.7
179.07034	0.6
193.06555	2.3
217.00333	1.7
253.18102	0.4
374.99335	1.4
377.14575	1.2
397.22717	0.9
457.15265	1.1
458.10947	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2821
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00992	5.3
59.01265	65.9
65.67807	3.0
71.01270	68.7
72.99197	8.3
78.55856	3.0
83.76617	3.1
85.02838	3.8
87.00742	5.4
89.02336	100.0
101.02347	21.4
113.02353	24.3
119.03407	16.8
131.03386	3.9
149.06010	11.1
161.04475	9.4
179.05569	28.0
277.21774	94.1
278.22031	11.6
286.17050	3.4
299.61371	3.2
306.40756	3.2
375.22989	3.8
457.35977	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	457.173
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	71.0
60.01601	0.6
71.01292	0.8
73.02847	1.2
83.01257	0.4
85.02834	0.4
94.21792	0.3
99.00784	0.4
101.02345	0.8
135.04454	5.2
149.06010	0.8
163.03961	58.3
164.04292	2.8
178.06319	57.9
179.06671	3.5
193.08682	100.0
194.09029	5.7
199.08549	0.3
218.81480	0.3
283.73117	0.3
370.44754	0.3
430.76556	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2273
Annotation	Unknow
Peak:m/z	Relative Intensity
56.83692	0.8
60.48239	0.9
69.18570	0.8
69.69045	5.1
91.41927	0.9
98.20520	1.9
99.92486	3.7
100.93270	2.8
107.99722	1.0
115.91988	100.0
116.92114	5.8
116.92780	5.3
132.92268	1.0
143.39420	0.8
148.06918	1.0
172.95483	7.3
173.95512	1.1
219.31641	1.0
305.55881	0.9
361.28436	1.0
399.49594	1.0
403.49905	0.8
406.79541	0.9
409.20438	1.4
440.43658	0.9
457.22842	8.0
458.22775	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1727
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03335	1.0
59.01264	100.0
60.01608	0.8
60.21657	0.4
61.98731	0.7
68.30589	0.4
71.01270	3.2
71.59092	0.5
73.02844	2.2
83.01302	1.0
85.02847	1.7
89.02344	1.4
99.00797	0.4
101.02353	3.4
109.06502	0.6
113.02364	1.3
119.03397	0.6
125.02347	0.4
134.58736	0.4
135.04460	2.7
145.02843	0.5
149.06036	5.3
150.06374	1.5
151.07635	0.6
161.04526	3.5
163.03954	31.2
163.07628	1.6
164.04366	1.9
178.06308	37.4
179.06616	1.6
186.00069	0.4
193.08679	70.2
194.09024	5.2
203.05585	0.7
221.11794	2.1
236.41139	0.5
253.14534	1.0
263.07813	0.4
351.05807	0.4
397.22388	1.4
415.19061	0.9
415.23676	1.2
437.39011	0.5
457.20917	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	457.1727
Annotation	sasanquin
Peak:m/z	Relative Intensity
55.01765	1.5
58.00472	1.3
59.01265	46.0
69.47681	8.1
71.01271	28.0
72.99200	4.6
73.02815	1.4
73.08923	1.0
75.00796	0.9
83.01279	1.2
83.04932	1.3
85.02851	5.9
87.00775	1.1
89.02340	28.3
95.01295	1.4
99.00774	1.1
99.04388	1.1
101.02352	16.8
105.22391	1.0
109.02833	1.9
110.89169	1.2
111.04443	2.5
113.02357	12.1
119.03428	13.4
119.04951	1.1
121.06510	2.4
123.08084	3.1
125.02361	1.3
131.03419	1.3
135.04465	1.6
151.03935	1.8
161.04433	1.1
163.03955	1.8
171.11722	4.5
179.05453	2.2
189.12849	6.7
203.84663	1.0
215.10899	1.9
233.11920	2.0
277.10901	9.0
295.12006	1.4
366.81497	0.9
457.17288	100.0
458.12543	1.0
458.17871	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	457.1725
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01775	1.7
57.03339	1.5
58.00477	1.1
59.01265	18.3
60.01592	0.2
66.39092	0.2
68.99717	0.5
69.03345	2.1
69.41613	0.6
69.42017	1.3
71.01270	39.1
72.01598	0.4
72.99184	1.3
73.02835	68.1
74.03184	1.2
75.00776	1.1
81.03345	0.9
83.01278	5.7
83.14416	0.2
85.02843	12.3
85.99984	0.5
86.03174	0.4
87.00777	3.7
88.19485	0.2
89.02341	7.2
95.01299	0.6
95.04841	0.2
96.99261	0.3
97.02859	5.1
99.00780	11.0
99.04424	0.8
100.01083	0.3
101.02347	68.1
102.02663	1.7
111.00795	3.6
113.02363	5.2
115.03921	3.4
115.54338	0.2
117.01823	0.2
119.03431	0.4
121.02854	0.7
122.03697	0.5
125.02372	9.2
126.02717	0.4
127.03945	0.5
128.01050	0.5
129.01863	0.4
131.03426	11.5
132.03799	0.3
141.01898	0.3
143.03433	10.3
144.03795	0.3
147.04430	1.3
148.05241	96.5
149.04443	0.4
149.05713	4.9
151.10741	0.2
151.74872	0.2
155.03500	0.5
160.61929	0.2
161.04504	12.1
162.04819	0.3
163.04015	1.1
163.07597	36.6
164.04729	0.7
164.07964	1.8
173.03076	0.4
173.04517	4.7
175.06001	0.5
191.05591	5.9
203.05638	1.3
215.05663	2.5
233.06683	57.0
234.07030	3.0
293.08856	100.0
294.09216	6.8
408.13620	0.2
458.14117	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1728
Annotation	Foliachinenoside B2
Peak:m/z	Relative Intensity
50.85206	0.2
55.01775	1.6
57.03343	1.0
58.00479	0.5
59.01265	12.0
64.26514	0.2
68.37863	0.2
70.97686	0.5
70.98028	0.4
71.01271	23.2
72.01582	0.4
72.99200	0.7
73.02836	9.4
74.03187	0.3
75.00759	0.3
79.48663	0.2
83.01277	3.1
84.62830	0.2
85.02847	7.7
87.00771	1.0
89.02342	6.5
95.01291	1.2
97.02848	0.7
99.00782	13.9
101.02349	13.2
102.02738	0.3
104.09146	0.2
112.72169	0.2
113.02361	8.3
114.02706	0.3
119.04939	0.3
121.02848	0.4
121.06630	0.2
122.03647	0.6
125.02367	0.7
131.03416	1.2
143.03438	2.2
147.04477	1.0
148.05240	100.0
149.05930	7.6
150.06348	0.5
153.06895	0.2
159.02928	1.9
161.04503	23.6
162.04849	0.8
163.07596	65.5
164.07951	3.7
191.05606	1.9
203.05583	0.6
205.03670	0.5
247.10048	0.2
293.08609	1.3
325.13080	1.3
326.80731	0.2
376.48090	0.2
457.17258	38.8
458.11566	0.4
458.17673	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	457.1727
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01258	0.8
69.24124	1.9
69.24530	0.6
71.01264	0.5
71.85720	0.2
89.02338	0.3
93.18317	0.2
101.02332	0.4
103.03912	0.3
108.02112	0.3
110.77061	0.2
119.03455	0.2
122.03659	0.6
125.02358	0.5
146.43942	0.2
147.04478	0.9
148.05232	1.6
149.06021	100.0
150.03123	0.2
150.06361	5.4
158.61948	0.2
164.62965	0.2
222.12206	0.2
247.08292	0.2
261.75415	0.2
307.10339	0.3
395.03366	0.2
457.17307	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3025
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13525	0.3
54.35774	0.3
59.01266	100.0
60.01605	0.9
62.14682	0.3
69.48442	2.8
79.60955	0.3
89.02316	0.4
94.56769	0.3
98.19768	0.6
126.96577	0.3
140.72104	0.4
147.08101	0.7
148.08469	0.5
163.14104	0.3
198.45987	0.3
217.16963	0.4
277.21793	17.0
278.22211	1.9
455.35715	0.7
481.04166	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.1311
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	0.5
61.98717	100.0
69.58415	0.8
101.02314	0.1
101.02950	0.1
106.39165	0.1
115.38969	0.1
117.03376	0.6
119.04948	0.6
121.02869	0.3
133.02888	0.6
142.87560	0.1
145.02885	3.4
146.03214	0.9
149.06053	0.2
149.84351	0.1
160.47182	0.1
163.04004	0.7
167.10829	0.1
190.84680	0.1
217.00296	0.3
305.73190	0.1
313.14590	1.4
314.14920	1.1
315.15924	0.5
374.16953	0.1
374.99316	0.3
393.13495	1.1
394.13742	0.1
456.01410	1.1
456.09921	0.2
456.15698	0.7
457.02054	0.1
457.15878	0.2
457.22476	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	456.1313
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18964	0.2
57.94926	0.2
59.01271	0.6
61.98718	100.0
62.98435	0.4
63.45710	0.2
65.79575	0.2
68.70199	0.2
86.49100	0.2
91.47653	0.2
96.95927	0.3
117.03352	0.9
119.04946	1.8
121.02894	0.3
127.40997	0.2
133.02910	0.3
139.31923	0.2
145.02882	4.1
145.04034	0.2
146.03236	0.3
149.06041	0.6
163.03975	1.6
217.00212	0.9
251.11421	0.3
313.14590	0.9
314.14886	0.8
315.16083	3.2
336.60571	0.2
374.99350	0.4
393.13580	0.6
397.15198	0.6
456.00778	0.5
456.15854	0.2
457.17139	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1781
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02517	0.4
56.15701	0.4
58.00468	1.8
59.01265	43.7
60.01608	0.5
69.03343	1.1
70.44806	0.4
71.01270	35.6
71.58277	0.4
71.58616	0.6
72.01574	0.5
72.99186	1.4
73.02834	17.0
74.03175	0.4
78.95795	0.8
83.01288	0.5
85.02856	2.1
87.00787	0.7
89.02338	62.3
90.02679	1.0
92.35726	0.4
96.95893	0.4
96.96864	0.8
97.02856	1.0
99.00780	36.7
99.04429	0.4
99.08080	0.5
100.01096	0.9
101.02342	15.1
113.02358	2.8
116.92722	0.5
119.03398	1.0
125.02357	3.7
131.03435	8.2
135.54568	0.4
149.04495	15.4
161.02420	0.5
161.04495	1.2
161.08096	0.9
191.05602	7.8
191.07170	0.8
192.06029	0.5
199.67862	0.5
221.06619	1.0
251.07713	1.5
320.44714	0.4
338.56665	0.4
442.36127	0.4
455.17789	100.0
456.18176	11.5
479.45511	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2426
Annotation	Unknow
Peak:m/z	Relative Intensity
56.42015	0.2
59.01252	0.4
78.95793	6.5
80.52968	0.2
96.96872	0.6
101.71529	0.2
101.82362	0.2
119.04924	0.2
145.02908	0.5
145.89975	0.2
152.99524	14.7
171.00603	0.9
179.10684	0.2
181.12321	1.8
182.12599	0.3
199.13370	0.8
207.38931	0.2
209.19144	0.3
227.03326	3.5
227.20175	100.0
228.18240	0.4
228.20518	8.4
241.16020	0.7
245.04367	1.2
259.17111	0.9
275.26489	0.2
411.29108	0.3
455.24243	28.6
456.24619	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	455.2662
Annotation	Dendronpholide L
Peak:m/z	Relative Intensity
55.01773	1.3
57.03339	1.3
58.00465	2.1
59.01265	37.2
71.01270	24.9
71.57142	0.7
72.34142	0.5
72.99207	2.4
73.02834	2.2
83.01279	1.8
85.02847	7.0
87.00787	0.7
89.02341	18.9
95.01276	1.9
99.00777	0.9
101.02353	12.8
113.02355	7.3
114.32054	0.5
119.03418	6.4
119.04960	0.6
129.01772	0.7
133.02872	2.0
145.02864	0.6
149.04533	0.6
161.02332	0.9
161.04489	0.6
174.55751	0.5
174.57420	0.7
216.45277	0.5
222.92529	0.7
223.17039	2.5
248.74336	0.5
275.20221	5.9
277.21811	1.8
293.21399	4.0
329.13760	0.7
409.52725	0.6
419.03561	1.1
437.25339	0.8
455.00992	2.3
455.26614	100.0
456.00275	5.2
456.26965	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	452.2792
Annotation	LysoPE(0:0/16:0)
Peak:m/z	Relative Intensity
57.09903	0.2
59.01247	0.2
62.96278	0.2
66.26613	0.2
71.28960	0.4
78.95795	17.9
87.01817	0.2
96.96828	0.2
122.00026	1.0
122.98449	0.2
129.78859	0.2
140.01122	4.8
141.01357	0.2
152.99538	1.8
157.93024	0.2
166.02783	0.3
178.88205	0.2
196.03777	9.1
197.04120	0.2
208.68216	0.2
214.04842	2.1
237.22110	0.2
238.72061	0.2
255.23331	100.0
256.23669	9.4
256.26419	0.4
452.27911	32.5
453.28238	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	451.256
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01781	0.7
57.03339	0.7
59.01266	100.0
60.01608	0.8
61.98717	2.0
69.48661	2.1
69.49075	1.4
71.01270	11.3
72.99200	1.0
73.02842	2.7
75.00755	0.5
83.01281	1.1
85.02842	4.5
87.00789	1.5
89.02344	10.3
95.01295	2.1
99.00797	1.1
101.02351	11.0
113.02370	6.1
119.03410	3.9
119.04988	0.5
127.79688	0.5
129.01907	0.6
133.02852	0.6
139.00421	0.7
143.03468	1.2
143.05043	0.5
149.06067	1.4
159.02974	0.9
161.02435	1.1
161.04494	7.7
179.03568	0.4
179.05605	1.1
229.18196	1.7
388.18445	0.5
391.23480	47.2
392.23901	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	451.2861
Annotation	Chabrolobenzoquinone F
Peak:m/z	Relative Intensity
50.40897	0.2
59.65296	0.2
70.00034	0.9
76.70316	0.2
87.64059	0.2
92.63547	0.2
132.05722	0.4
143.04939	0.4
145.06554	0.5
151.11211	1.0
153.12767	1.4
158.03642	0.2
159.04337	0.2
164.04771	0.2
171.04456	3.2
171.13875	0.3
189.05557	0.3
195.06543	0.2
197.11786	0.4
201.43585	0.2
217.84464	0.2
224.25871	0.2
243.13936	0.2
251.14478	1.9
252.14972	0.2
253.15988	2.2
255.13914	0.3
269.15515	1.3
271.17075	1.1
279.13916	2.2
281.15497	1.2
282.15863	0.2
295.13605	0.5
297.15009	10.0
298.15341	1.3
315.16098	0.8
316.16623	0.2
325.18124	6.2
326.18472	0.7
405.28204	0.8
405.75302	0.2
433.27542	1.6
434.27847	0.4
451.28613	100.0
452.28946	18.3
452.35446	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2203
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01771	0.9
57.03337	0.8
58.00477	1.0
59.01265	100.0
60.01608	1.4
61.98736	1.0
69.03349	0.7
69.78426	1.6
69.78838	1.2
71.01273	17.8
71.01670	0.9
72.01617	0.8
72.99197	0.9
73.02835	9.5
79.28130	0.5
83.01263	3.1
85.02848	5.7
87.00779	1.2
87.04408	0.8
88.98686	0.5
89.02342	11.9
93.03383	1.0
95.01309	1.9
97.02875	0.5
99.00778	1.2
99.04448	0.4
101.02350	16.8
101.03015	1.0
105.71814	0.4
109.02872	0.7
111.00835	0.9
113.02361	8.5
113.03157	0.5
118.98054	0.5
119.03430	5.6
119.04957	2.1
120.03752	0.5
121.02778	0.6
121.31760	0.4
125.02397	1.9
131.03418	1.0
133.02904	0.6
135.04463	1.2
137.02417	1.6
141.01883	1.0
143.03479	1.8
145.02893	1.0
149.04570	1.1
153.09256	0.4
156.00545	0.4
159.02953	0.6
161.02353	1.2
161.04501	6.6
163.03949	1.7
167.03476	0.7
179.05605	2.1
179.07050	0.7
182.02449	0.5
187.13353	4.8
203.05620	1.1
237.08229	0.4
253.14436	1.0
289.07373	1.5
331.17731	13.0
332.18158	1.1
343.93417	0.5
349.18744	23.7
350.19037	2.3
391.19742	11.9
392.20392	1.4
451.20544	2.6
451.28961	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2197
Annotation	Unknow
Peak:m/z	Relative Intensity
58.69905	0.4
59.01268	100.0
60.01604	1.8
69.03372	0.4
71.01271	8.0
71.36466	1.0
73.02837	4.4
83.01318	1.4
85.02854	2.3
86.34192	0.4
87.00775	0.5
89.02338	7.7
95.01309	0.5
97.63243	0.4
99.00826	0.5
101.02357	8.3
113.02367	4.8
119.03432	3.4
125.19569	0.4
131.03474	1.1
138.73059	0.5
143.03448	1.3
149.04539	1.0
161.04533	3.9
179.05640	1.2
187.13388	4.6
221.06784	0.7
326.35669	0.5
331.17700	10.6
332.18365	1.2
349.18741	18.3
350.19214	1.7
391.19858	21.2
392.20135	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	451.2195
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01767	0.5
57.03339	0.7
58.00485	0.7
59.01266	100.0
60.01602	1.0
71.01273	15.0
72.01617	0.4
72.99221	1.2
73.02837	7.7
75.00775	0.4
83.01280	3.9
85.02847	4.1
87.00789	1.5
89.02339	10.0
93.03380	1.2
95.01309	0.7
97.02872	0.7
98.20638	0.6
99.00768	1.4
101.02348	14.5
109.02859	0.8
111.00797	0.3
113.02351	6.4
119.03423	4.9
119.04987	0.7
123.04498	0.4
125.02374	0.7
131.03485	0.8
133.02895	0.3
134.24561	0.2
135.04488	0.7
137.02385	2.4
141.09149	0.6
143.03421	2.0
145.02925	0.8
149.04445	1.2
151.04045	0.3
151.11293	0.8
159.02963	0.4
161.02412	0.7
161.04503	4.8
163.04010	0.9
177.01891	0.4
179.05583	1.7
187.13356	3.0
189.01926	1.5
190.02660	0.3
191.03432	0.4
203.03812	0.3
203.05661	0.9
217.01497	0.6
221.06752	0.8
229.14545	0.3
231.03003	0.4
253.14523	1.8
283.15625	0.5
326.71216	0.3
331.17694	9.6
332.18240	0.9
341.06750	2.3
342.07214	0.3
349.18747	18.6
350.18979	1.9
369.63330	0.3
391.19781	10.1
392.20062	1.3
451.10852	0.8
451.20013	3.9
451.25385	0.3
452.20618	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2197
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02859	1.9
59.01266	100.0
60.01591	1.0
61.98718	1.8
69.64570	2.2
69.64977	0.9
71.01267	3.8
72.99236	0.5
73.02841	1.9
75.00780	1.2
83.01283	0.9
85.02859	1.7
87.00789	0.8
89.02325	2.7
95.55473	0.4
96.95904	0.8
98.19796	0.8
101.02354	5.2
102.01878	4.4
102.70141	0.4
113.02372	1.4
119.03452	1.3
123.04460	0.6
125.02397	1.1
134.03606	0.4
135.04459	0.6
143.03439	0.8
153.01895	4.3
161.02370	0.7
161.04549	2.1
179.03404	0.6
179.05551	0.7
203.12854	0.6
229.73172	0.5
306.09583	0.4
331.17810	1.9
349.18970	1.9
365.18134	0.5
386.66714	0.5
391.19919	4.8
392.20078	0.6
407.19394	0.8
447.75311	0.6
469.22974	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1044
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	1.0
69.36633	0.6
69.37038	2.9
85.18562	0.3
88.39577	0.4
95.04941	0.7
101.02325	0.5
103.05431	0.4
105.03384	0.6
108.02071	0.9
109.02858	22.7
117.03416	1.0
119.04932	1.1
121.02852	0.8
122.03681	0.5
123.04440	12.4
123.69060	0.4
124.04738	0.4
133.02869	4.1
133.66382	0.4
134.03667	0.4
135.04431	0.5
137.02399	0.6
141.72937	0.4
145.02861	1.2
147.04451	3.6
149.02411	0.7
150.03165	0.6
151.03947	6.7
152.04320	0.5
159.04442	1.3
161.02393	6.4
162.03085	0.5
163.03911	0.7
176.01224	0.9
177.01895	20.0
178.02217	0.9
179.03471	0.5
187.03957	1.2
189.01895	49.2
190.02629	10.0
191.03461	9.1
192.03792	0.6
201.01959	0.3
203.03481	5.4
214.02611	0.4
216.00661	7.5
217.01413	31.0
218.01962	3.1
219.02985	11.4
220.03323	0.9
231.03017	8.8
232.03625	1.6
233.04477	0.9
236.67441	0.4
255.06670	0.3
281.04584	1.0
289.07147	1.7
297.07733	0.8
299.05585	0.7
323.05618	1.6
341.06720	100.0
342.07077	10.6
451.10443	29.5
451.17188	0.5
452.10718	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	451.0661
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34041	0.2
59.01266	4.8
71.01266	0.7
71.27665	0.3
73.02841	0.5
75.90288	0.2
78.95795	1.2
84.46339	0.1
85.02847	4.6
86.03210	0.2
86.48860	0.1
87.00772	1.0
91.96949	0.1
93.03344	1.5
96.95915	16.6
96.96812	1.2
99.04428	0.2
101.02383	0.2
109.02871	0.4
111.04429	0.7
127.03956	1.2
130.99442	0.1
133.02881	0.4
135.04430	1.1
137.02379	0.2
161.02371	1.9
161.04460	0.3
171.03021	0.3
173.04582	1.2
179.03491	0.9
191.05586	100.0
192.05948	3.8
259.02307	0.5
289.07288	0.3
300.49728	0.1
349.18750	1.2
353.08813	24.5
354.09201	2.1
362.71042	0.2
391.19803	0.6
449.61789	0.1
451.07352	0.1
476.48337	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2767
Annotation	Eurystatin D
Peak:m/z	Relative Intensity
51.33875	0.1
55.01774	0.9
57.03343	0.6
58.00475	0.5
59.01267	8.8
60.01594	0.2
61.98709	0.3
68.99700	0.2
69.03344	0.3
70.95394	0.4
71.01270	8.9
72.01625	0.1
72.99196	1.0
73.02836	2.3
75.00758	0.2
83.01279	2.0
85.02844	3.8
85.31329	0.1
85.99976	0.5
87.00768	1.2
89.02339	2.0
93.03367	0.2
95.01276	0.8
97.02873	0.2
97.06512	0.2
99.00791	0.7
99.08057	0.5
101.02346	5.2
102.02689	0.2
103.54241	0.1
111.00787	0.8
112.01587	0.2
113.02360	2.5
118.97984	0.1
119.03394	0.6
123.04440	0.5
124.01579	0.2
125.02352	0.8
129.01875	0.2
129.09111	0.2
135.04428	0.5
139.11339	0.1
141.01884	0.2
141.12787	0.7
142.02676	0.1
155.14346	0.3
161.02371	0.4
167.03430	1.0
173.04547	0.1
179.03439	0.2
191.03436	0.3
193.52763	0.1
236.52345	0.1
241.21779	0.4
269.21292	2.6
270.21545	0.1
271.22620	0.2
285.20810	0.6
287.22342	28.4
288.22672	2.7
296.03070	0.2
297.03220	0.2
299.22208	0.2
301.23587	0.2
329.23175	0.3
333.24637	0.1
361.76758	0.2
431.26508	2.0
432.26859	0.2
449.27646	100.0
450.27975	13.9
450.34604	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2765
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01778	1.1
57.03333	0.9
58.00482	0.7
59.01267	13.8
61.98719	1.8
64.17593	0.1
64.47882	0.1
68.99699	0.1
69.03336	0.5
69.39924	0.4
69.40337	0.8
71.01270	10.2
72.01617	0.2
72.99195	0.9
73.02834	2.5
73.03240	0.1
75.00756	0.3
78.95787	0.1
83.01275	2.4
84.60780	0.1
85.02847	4.8
85.99991	0.3
87.00777	1.6
87.04416	0.1
89.02335	2.2
89.02840	0.2
93.03359	0.6
95.01288	1.0
97.02856	0.4
98.19803	0.2
99.00779	0.9
99.08052	0.6
101.02346	5.9
101.45243	0.1
102.02686	0.2
107.04934	0.2
109.02895	0.1
111.00799	1.2
112.01564	0.4
113.02360	2.6
118.98032	0.1
119.03453	0.6
121.02870	2.5
122.03698	0.3
123.00828	0.1
124.01583	0.4
125.02373	0.6
129.01813	0.3
129.09149	0.3
131.62396	0.1
133.02859	0.6
135.04448	1.4
136.04832	0.1
137.02359	0.3
138.03539	0.1
141.01842	0.2
141.12779	0.8
143.03404	0.2
148.05223	0.2
149.05919	0.2
150.03215	0.1
154.02731	0.1
155.14371	0.3
159.02972	0.2
161.02368	1.1
161.04488	0.3
162.02843	0.1
169.12315	0.5
173.04533	0.3
179.03459	0.4
185.11728	0.3
187.07642	0.1
191.05498	0.3
203.03513	0.3
227.07196	0.4
228.07915	1.1
229.08345	0.1
231.10193	0.3
241.21747	0.5
243.10313	2.3
244.10634	0.2
269.21252	2.9
275.09467	0.1
285.20850	0.6
287.09384	0.3
287.22348	29.4
288.22714	2.5
296.02875	0.2
297.03162	0.4
299.22348	0.3
301.23904	0.3
325.02817	0.1
329.23407	0.5
347.16989	0.2
387.15625	0.2
389.17990	0.1
431.26556	2.0
432.26941	0.2
449.14639	5.0
449.27646	100.0
450.15344	0.6
450.27994	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	449.2707
Annotation	Unknow
Peak:m/z	Relative Intensity
54.66007	0.7
59.01265	4.0
70.70116	2.6
78.95801	1.7
80.14729	0.7
104.60593	0.9
117.03368	10.3
119.04926	3.9
121.02837	1.3
141.96822	0.8
145.01839	1.2
145.02896	17.6
152.99515	2.2
155.16806	0.8
164.30902	0.8
183.08081	1.1
195.04446	1.3
195.08064	1.7
207.08138	11.5
208.08591	1.2
209.09711	15.6
211.11255	1.7
213.09134	0.9
221.06064	1.8
222.06807	0.9
235.07658	17.8
236.08105	1.1
237.09206	32.8
238.09613	3.1
249.12845	1.8
251.14352	1.7
255.10347	1.0
255.13925	1.4
277.12421	3.8
281.24948	11.5
282.25198	1.0
295.13458	1.3
299.16632	2.5
378.22110	10.7
379.22583	2.2
389.21375	15.4
390.21790	2.2
391.22870	71.0
392.23172	11.1
405.28186	1.0
431.25983	3.0
431.86722	1.0
449.27054	100.0
450.27377	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	449.2769
Annotation	Eurystatin D
Peak:m/z	Relative Intensity
55.01777	1.2
56.39902	0.1
57.03339	0.9
58.00479	0.6
59.01267	9.5
68.99667	0.2
69.03343	0.3
69.73547	0.8
71.01272	9.4
72.01601	0.2
72.99206	0.8
73.02840	2.6
75.00769	0.2
77.16203	0.1
79.03085	0.1
83.01278	2.2
85.02847	4.3
85.99985	0.4
87.00759	1.1
89.02338	1.6
93.03397	0.2
95.01292	0.8
97.02846	0.2
99.00803	0.8
99.08050	0.6
101.02348	5.3
111.00800	0.9
112.01540	0.4
113.02364	2.3
119.03404	0.5
124.01583	0.5
125.02362	0.5
128.52043	0.1
129.01820	0.2
129.09175	0.3
135.04440	0.1
139.11255	0.2
141.01836	0.2
141.12810	0.9
143.03421	0.1
155.14366	0.2
159.02908	0.2
191.05583	0.3
199.51439	0.1
221.19284	0.2
241.21741	0.4
256.15921	0.1
269.21286	2.7
270.21701	0.2
285.20801	0.6
287.22348	28.1
288.22708	2.7
289.14594	0.1
299.22235	0.3
301.23859	0.2
329.23413	0.5
431.26550	2.2
432.27072	0.3
449.27652	100.0
450.28003	14.1
450.34467	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2707
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14103	0.7
69.62919	4.8
73.47664	0.7
76.61006	0.7
87.56113	0.6
99.29542	0.7
117.03375	6.0
119.04936	1.9
138.98766	0.6
145.02902	13.7
146.03368	0.7
164.06773	0.7
195.08018	1.0
207.08128	4.5
207.89308	0.8
209.09711	7.3
211.07741	1.2
211.11469	0.9
235.07668	14.4
236.07933	0.9
237.09224	19.4
238.09630	2.1
238.86929	0.7
249.12949	4.1
251.14313	1.6
255.10252	0.9
255.23314	1.5
275.10852	1.1
277.12418	9.0
278.12729	1.3
295.13373	1.8
299.16687	3.0
371.29935	0.8
389.21353	13.8
390.21487	2.2
391.22891	33.9
392.23242	6.3
429.24042	1.4
431.25970	8.7
432.26602	1.0
438.46423	0.8
449.27072	100.0
450.27377	18.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2708
Annotation	Usambarine
Peak:m/z	Relative Intensity
54.36724	0.2
56.14244	0.2
57.01452	0.2
57.03340	4.3
57.52776	0.2
59.01252	0.6
61.37228	0.1
64.43404	0.2
66.75460	0.2
67.92805	0.2
70.97104	0.6
78.95776	0.7
81.07026	0.2
87.98618	0.2
107.04961	0.4
117.03369	0.6
123.08076	10.0
124.08387	0.4
143.05006	0.3
145.02904	1.5
152.99583	1.0
153.12807	0.3
167.56671	0.2
171.04431	0.8
172.05066	0.2
209.06029	0.8
209.09731	0.2
221.05963	0.2
225.09109	0.8
233.09750	0.3
234.06830	0.3
235.07593	0.3
235.11267	0.7
237.09122	0.4
247.07861	0.2
247.11220	0.3
249.12889	7.4
250.13196	0.6
251.14456	3.3
252.14769	0.3
253.12410	0.4
259.11188	0.2
261.09299	1.7
262.09970	0.5
267.13916	0.4
275.10733	1.2
276.11432	0.2
277.12399	21.8
278.12827	1.9
279.10330	0.4
281.24838	0.5
282.25122	0.2
286.15900	0.2
293.11853	0.4
295.13434	4.3
296.13803	0.4
299.16629	0.3
309.11353	0.3
313.14426	0.4
325.18069	1.7
379.22873	0.9
388.20538	0.3
391.22607	0.9
420.19507	1.3
421.23969	0.4
429.24493	2.4
430.24799	0.4
431.25983	27.3
432.26331	5.0
449.27051	100.0
450.27399	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	449.2705
Annotation	Usambarine
Peak:m/z	Relative Intensity
53.28649	0.4
59.01258	2.1
61.98722	0.4
62.25346	0.3
63.96277	0.3
68.51618	0.3
71.57514	0.4
80.90915	0.3
93.13825	0.4
107.39358	0.3
117.03378	6.0
119.04928	2.3
120.93461	0.3
121.02871	7.9
122.03202	0.4
131.04944	0.7
133.06476	0.3
145.02887	19.1
146.03195	0.8
147.08031	0.4
158.03667	1.2
159.04469	1.5
163.03951	0.6
167.10657	0.3
175.03928	0.6
207.08145	1.5
209.09665	1.8
221.06036	0.8
227.14432	1.8
235.07642	4.8
235.11275	0.5
237.09213	7.4
238.09535	1.0
247.11386	0.7
249.12897	1.5
253.12483	0.5
255.23120	0.5
261.09204	1.8
275.10873	1.5
277.12375	6.3
278.12927	0.6
281.24899	3.9
282.25311	0.6
293.11969	1.7
295.13458	2.9
299.13364	0.7
299.16568	6.3
300.17007	0.4
345.33411	0.5
375.19647	0.7
376.16412	0.4
389.21320	6.1
390.21573	0.9
391.22867	20.1
392.23209	3.9
415.22882	4.5
416.23355	0.8
429.24420	1.6
431.26050	13.3
432.26266	2.4
447.25613	1.4
448.22440	2.0
449.27060	100.0
450.27393	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	449.2405
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01779	1.3
57.03332	2.5
58.00480	0.4
59.01264	100.0
60.01593	2.0
61.98719	6.9
64.81297	0.3
69.03346	0.5
69.95553	2.2
71.01270	28.7
72.01605	0.7
72.99209	0.9
73.02833	10.2
75.00774	1.3
81.03345	0.5
83.01271	4.2
83.04888	0.3
85.02843	12.7
86.03183	0.4
87.00756	1.8
89.02342	5.9
95.01283	2.3
96.01617	0.3
97.02858	1.0
99.00774	3.8
101.02347	23.3
102.02688	0.7
109.02856	0.8
111.00812	0.6
113.02358	12.5
114.02740	0.6
119.03435	2.0
123.04471	0.5
124.01636	0.4
125.02374	9.9
125.03259	0.7
129.01871	0.6
133.02899	1.4
135.04459	1.5
143.03448	1.8
147.11720	1.2
149.02377	0.4
150.03215	0.6
151.00363	0.7
152.01152	0.7
159.02942	2.8
161.02483	3.5
161.04489	18.3
162.04839	0.8
163.04021	0.4
165.01933	0.6
177.05576	0.5
179.03471	0.9
179.05592	0.9
192.04260	0.4
192.47159	0.3
195.06670	0.4
205.03540	0.7
227.16615	0.6
243.06647	4.3
244.06992	0.4
251.04266	0.4
259.06186	2.4
269.04584	0.9
269.08221	0.4
269.14053	0.6
281.06729	0.5
287.05569	1.7
288.20502	0.4
323.07852	1.0
347.17267	0.8
389.21912	60.5
390.22293	5.9
403.19931	0.5
427.14172	0.7
449.10934	4.5
449.20517	1.1
450.11304	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2707
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92056	0.2
57.03334	1.3
59.01264	1.9
67.16158	0.3
71.22777	0.5
83.01290	0.8
91.70029	0.3
93.03363	0.5
103.05433	0.4
117.03376	0.3
119.04907	0.6
121.02885	0.4
121.06504	0.9
125.02374	10.3
130.04156	0.9
131.04930	1.1
132.05739	3.5
133.06516	1.1
135.04407	0.4
145.02960	0.5
149.06018	0.7
158.03677	6.6
159.04471	1.3
162.03110	0.4
164.04726	2.9
165.61179	0.3
171.04398	0.4
175.03967	5.7
176.04556	0.4
182.98056	0.2
190.02740	2.0
197.09648	0.3
199.11327	0.5
203.12004	0.3
227.14180	0.3
231.11815	0.4
249.12939	2.1
251.14465	1.2
253.12389	0.7
260.82559	0.3
267.13977	0.4
275.10876	0.3
277.12378	10.5
278.12775	1.4
279.23416	0.6
280.23605	0.7
281.23929	1.2
295.13440	8.3
296.13748	0.9
299.16501	0.4
312.17432	0.6
313.14481	0.7
313.17859	0.4
323.25912	0.3
325.18158	0.4
343.14197	0.3
344.16370	5.2
345.16653	0.5
431.26004	10.9
432.26431	2.3
449.27042	100.0
450.27377	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	449.2707
Annotation	Usambarine
Peak:m/z	Relative Intensity
50.37320	0.3
57.50720	0.2
59.01259	1.0
61.40242	0.2
71.50364	0.3
71.50716	0.4
72.97532	0.2
74.94437	0.2
117.03380	5.1
119.04943	2.4
121.02867	0.8
123.04430	0.3
131.04950	1.5
133.06551	0.5
145.02890	16.9
146.03207	0.8
158.03650	1.7
159.04474	3.8
162.03218	0.3
163.03914	0.6
175.03983	1.3
190.02687	0.5
199.11180	0.3
207.08095	1.5
209.09743	2.2
211.11214	0.3
213.09190	0.3
221.06117	0.8
221.76765	0.3
227.14433	0.3
231.16013	0.3
233.09680	0.3
235.07704	5.1
235.11304	0.5
236.08015	0.5
237.09212	7.8
238.09618	0.9
247.11299	0.6
249.12953	1.7
251.10828	0.6
251.14540	0.3
253.08595	0.3
253.12408	0.5
255.10361	0.6
261.09158	1.5
262.09882	0.6
269.81653	0.3
275.10815	1.6
277.12402	7.0
278.12729	1.0
293.11761	1.6
294.09106	0.4
294.12112	0.3
295.13440	3.9
299.16602	5.5
300.16833	0.5
312.17514	0.5
313.14713	0.5
313.18085	1.6
328.13736	0.3
344.16272	1.2
375.19565	0.9
376.20413	0.3
389.21384	6.2
390.21634	0.7
391.22903	20.3
392.23181	3.9
398.55032	0.3
415.22870	4.6
416.23401	0.8
418.93915	0.3
429.24554	1.6
430.24670	0.4
431.26001	15.5
432.26297	2.6
447.25500	1.6
448.21851	1.2
449.27063	100.0
450.27396	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	449.2404
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01769	1.9
57.03334	1.5
58.00481	0.5
58.69812	0.3
59.01265	100.0
60.01609	1.2
61.98714	2.2
68.42982	0.3
69.03347	0.6
71.01270	25.1
71.04928	0.7
72.01638	0.5
72.99205	1.2
73.02833	8.0
75.00771	1.5
81.03362	0.9
83.01281	4.3
83.04907	1.6
85.02844	11.6
85.56252	0.3
87.00792	1.4
89.02337	9.1
93.03374	0.8
95.01288	1.9
96.95917	0.4
97.02856	0.7
98.95512	0.4
99.00783	3.8
99.01890	0.4
99.04437	0.3
101.02347	23.6
102.02727	0.5
111.00815	0.4
113.02358	11.8
116.92818	0.6
119.03401	4.7
119.04102	0.3
119.04936	0.4
121.02838	0.4
123.04488	0.9
125.02394	2.1
131.03456	0.6
135.04468	0.5
137.02460	0.8
143.03439	2.4
145.02982	0.4
147.11769	1.0
149.04533	0.6
151.00378	0.4
159.02930	2.8
161.02379	1.2
161.04501	22.2
162.04829	0.5
165.12790	0.7
179.03416	0.4
179.03955	0.3
179.05612	3.6
191.05608	0.9
197.15501	1.0
205.03549	1.0
209.15541	1.0
224.17787	0.4
225.15054	0.4
227.13004	0.8
227.16519	5.0
227.18388	0.4
228.17018	0.6
281.06802	0.5
287.15073	2.9
329.06778	0.8
329.16040	0.8
333.23151	1.2
344.07468	0.5
347.17285	1.1
349.14749	0.3
349.19052	0.7
369.09393	0.5
389.21927	32.9
390.22250	4.3
392.12408	0.5
433.20645	2.0
444.87134	0.3
449.10889	0.6
449.24805	0.7
449.31598	4.9
450.31763	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2321
Annotation	Salaquinone A
Peak:m/z	Relative Intensity
54.03171	0.1
55.06354	0.1
57.73737	0.1
59.01256	0.5
61.98710	0.2
62.96281	0.2
69.86021	0.8
72.60111	0.2
78.95794	48.6
95.01401	0.1
96.96865	6.2
135.04488	0.3
150.97952	1.6
152.99525	100.0
153.99867	2.2
155.00050	0.2
161.02380	0.8
163.04083	0.2
171.00586	4.2
277.21823	0.3
295.19876	0.2
295.22879	0.7
329.13779	0.2
449.23169	15.2
450.23471	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2324
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01256	0.7
70.58476	0.2
70.88567	0.6
78.95794	50.1
96.96866	5.8
96.97499	0.3
104.37671	0.2
119.04941	1.1
121.02872	38.3
122.03183	1.2
133.48389	0.2
145.02925	0.2
150.97978	1.8
152.99525	100.0
153.99867	1.8
171.00607	4.3
295.22739	0.4
299.16586	0.4
446.20837	0.2
449.23187	9.5
450.23288	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	449.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
55.89773	0.0
59.01263	0.2
61.98721	0.1
70.11636	0.1
70.12054	0.1
75.84945	0.0
76.18193	0.0
78.95804	0.1
91.01792	0.1
92.02573	0.1
93.03374	0.4
95.58147	0.1
98.19814	0.1
108.02109	0.3
117.03415	0.1
119.04947	1.6
120.05296	0.1
121.02872	100.0
121.53117	0.1
122.03203	3.8
145.02881	0.6
145.06549	0.1
147.04475	0.2
152.99507	0.3
159.42168	0.0
163.03969	0.1
173.06052	0.2
193.12358	0.3
251.10846	0.5
271.17184	0.1
299.16550	1.6
300.16971	0.1
317.17651	0.1
449.23523	0.6
450.23911	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	449.2319
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78173	0.1
59.01268	1.0
60.62189	0.1
61.98696	0.1
62.96289	0.2
69.26936	0.1
69.36345	1.0
78.95793	50.9
79.89532	0.1
96.96865	6.8
121.02911	0.2
150.97958	1.8
152.99525	100.0
153.99875	1.7
171.00589	4.6
171.10219	0.3
237.85750	0.1
255.23357	0.2
277.21719	0.2
295.22751	0.2
340.12039	0.1
349.90918	0.1
352.97784	0.1
412.79587	0.1
413.37805	0.1
449.23218	9.6
450.23737	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1099
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03336	12.6
59.01265	9.9
61.98716	16.1
63.02275	1.0
65.00208	4.5
68.99680	0.5
69.03343	0.7
69.65703	3.9
71.01269	2.3
74.01729	0.6
75.37249	0.6
81.03347	2.5
83.01277	8.1
85.02850	0.8
87.00778	0.6
89.02412	0.7
93.03364	2.3
97.02862	2.0
98.20501	0.7
101.02357	1.3
107.01303	6.1
107.04948	1.5
108.02102	0.8
109.02865	1.6
111.00840	0.6
117.03373	1.0
119.04923	0.6
121.02853	2.1
123.00774	0.8
123.04464	1.7
124.01601	1.7
125.02374	100.0
126.02695	3.6
131.04959	1.1
133.02893	2.1
135.04382	0.6
137.02435	0.8
139.03940	1.8
147.04469	0.5
147.86266	0.6
149.02397	8.1
151.00316	24.9
152.01118	5.0
153.01892	6.9
155.04959	1.2
157.06549	1.2
158.03685	0.7
159.04359	0.9
161.02364	0.7
163.00336	1.5
165.01886	2.1
167.03516	1.4
169.06558	1.8
172.05226	1.9
173.06062	5.3
175.04037	0.8
176.01115	1.5
177.01801	0.7
177.05515	3.6
178.99840	11.8
179.03459	4.2
180.00237	0.8
180.05719	0.7
181.06544	1.2
182.03873	0.6
187.07587	0.6
191.03355	0.6
197.06097	2.6
199.04036	1.4
199.07666	0.9
200.04814	0.7
201.05573	3.8
209.26761	0.5
213.05574	1.1
215.07123	4.3
219.06787	0.7
224.04779	0.6
225.05583	3.7
226.05981	0.7
240.04242	0.6
241.05084	3.8
242.05620	0.6
243.06676	4.9
259.06155	61.9
260.06519	4.8
268.03979	0.7
269.04608	60.1
270.04929	5.2
283.06128	1.2
287.05676	52.1
288.06030	4.2
311.05704	2.1
312.35120	0.6
329.16171	0.8
342.05881	1.7
347.17276	0.8
389.18216	1.6
421.11459	1.4
431.09827	1.5
449.10986	84.8
450.11411	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	449.2039
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15903	0.5
55.01771	0.6
57.03340	2.9
58.00485	1.8
59.01265	100.0
60.01589	1.5
61.98713	4.1
65.00205	0.7
66.40570	0.6
71.01273	18.8
71.75871	0.5
72.99215	1.3
73.02853	3.2
73.95028	0.5
75.00764	0.7
82.86526	0.6
83.01287	2.5
83.04937	0.6
85.02852	5.7
87.00767	1.1
88.07724	0.6
89.02336	14.4
95.01310	1.5
95.04920	0.6
98.20560	1.2
99.00764	1.1
99.04421	6.2
101.02351	11.9
109.06527	0.7
113.02359	8.5
119.03432	5.2
125.02362	1.1
135.04482	3.3
143.03392	1.2
151.00322	2.5
161.04520	4.0
165.01915	1.1
165.12860	4.3
167.03458	1.6
179.05560	1.3
189.12828	1.0
195.02979	1.9
207.13879	6.8
208.14236	0.7
209.11816	20.6
210.12222	1.4
223.02457	1.0
225.14981	9.1
226.15323	0.7
227.12897	5.4
247.62009	0.6
251.12920	2.8
269.13992	68.3
270.14380	6.1
287.05804	2.7
287.15057	15.6
288.15347	1.8
301.07251	1.6
329.06812	1.8
329.15985	3.2
347.17151	7.9
348.17560	0.7
382.25027	0.6
389.17755	6.9
389.22113	2.5
390.22394	0.8
449.11475	3.3
449.20367	77.9
450.11429	0.9
450.20749	10.9
469.60303	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1098
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03338	10.3
59.01265	88.8
60.01590	0.7
61.98717	2.4
63.02279	0.8
64.67992	0.4
65.00201	3.4
68.99724	0.6
69.03317	0.6
69.69939	1.7
69.70368	1.3
71.01272	5.3
72.99218	0.7
73.02831	2.8
75.00761	0.5
81.03332	2.3
83.01279	7.9
85.02848	3.0
87.00757	0.6
89.02341	3.7
93.03357	3.0
94.26304	0.4
95.01292	0.8
97.02861	1.9
99.00811	0.6
101.02345	4.6
106.04151	0.4
107.01301	5.7
107.04942	1.9
109.02866	1.8
111.00793	1.5
113.02350	3.8
117.03383	1.9
119.03400	1.1
119.04984	0.8
121.02861	2.2
123.04453	1.7
124.01585	1.3
125.02367	100.0
126.02692	3.4
131.03395	0.7
133.02872	1.9
135.04448	2.4
137.02359	1.3
139.00337	0.5
139.03954	2.9
145.02972	0.5
149.02377	9.9
149.04411	0.8
150.03053	0.5
150.31213	0.5
151.00308	23.7
151.03925	0.5
152.01123	4.5
153.01891	8.5
155.04950	0.6
157.06604	0.8
158.03752	0.6
159.04430	1.2
161.02400	0.9
161.04507	3.1
163.00311	1.2
165.01907	3.2
167.03435	1.4
169.06506	1.8
172.05225	1.5
173.06053	4.3
174.06369	0.6
175.03931	1.1
176.01109	1.4
177.01904	0.9
177.05484	2.2
178.98245	0.8
178.99829	13.7
179.03432	4.6
179.05077	0.7
179.05510	0.6
180.00168	0.6
180.05763	0.5
181.06493	0.6
183.04477	0.7
187.07697	0.7
193.01466	1.1
196.05257	0.9
197.06032	2.5
199.03880	0.7
199.07716	0.7
201.05531	3.3
206.08237	0.5
213.05516	1.0
215.07133	5.5
225.05559	4.0
241.05151	2.5
243.06667	6.2
259.06161	77.1
260.06506	7.1
268.03833	0.5
269.04605	71.3
270.04916	6.2
283.06119	1.3
287.05676	56.1
288.06009	4.6
311.05731	1.7
315.07288	0.8
329.06686	1.7
329.16162	1.9
330.06738	0.5
341.05273	0.8
342.05917	1.2
347.17209	3.3
389.17703	3.8
389.22037	2.0
390.18555	0.7
401.16025	0.7
421.11594	1.9
431.09833	1.6
449.10992	87.0
450.11337	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	449.0888
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03337	10.4
59.01264	43.2
61.98719	4.5
63.02286	2.9
65.00213	4.7
71.01267	3.7
71.57706	3.3
74.64915	1.7
80.87965	1.4
83.01270	5.8
96.95883	7.7
107.01322	12.8
107.02013	2.5
109.02808	2.7
117.03362	2.4
119.04940	9.8
121.02914	2.8
123.04440	5.7
124.01601	3.2
125.02366	100.0
126.02690	2.6
135.04454	2.3
136.07576	4.4
137.02390	4.5
145.02928	9.5
147.04492	2.1
149.02353	7.1
150.03111	4.5
151.00299	30.6
151.03922	6.1
152.01021	6.7
153.01895	12.4
161.02376	4.6
163.03957	12.8
169.01349	5.4
174.03110	4.1
175.03984	15.7
176.04147	1.6
177.01889	26.1
178.99834	40.7
181.01373	3.5
188.04778	2.8
189.05504	4.6
189.86229	1.7
197.43959	1.6
197.96004	1.6
199.03905	10.3
202.99828	26.5
211.44325	1.5
213.05658	2.1
213.11301	1.8
217.05089	10.3
219.02924	1.9
227.07149	8.5
231.06561	1.6
241.05159	8.9
251.07161	8.6
255.23401	2.2
259.06158	6.6
275.05618	6.7
285.04108	75.1
286.04453	7.3
303.05182	81.7
304.05530	8.1
323.05707	5.5
325.03592	8.8
373.02753	2.1
389.21362	1.9
389.28024	6.1
392.13519	4.5
411.14636	8.5
431.07697	6.4
449.09146	8.9
449.15036	2.4
450.08704	1.8
450.14209	4.2
450.20486	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	447.2249
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70374	0.2
57.03355	0.3
58.00482	0.4
59.01263	100.0
60.01600	1.2
61.01699	0.3
61.20478	0.2
61.98716	7.6
70.76244	0.2
71.01267	10.3
71.60055	0.2
72.99217	1.0
73.02834	0.8
83.01299	0.8
85.02837	2.0
87.00779	0.9
88.63321	0.2
89.02338	12.8
90.02636	0.3
93.83692	0.2
95.01283	0.5
96.95921	0.4
98.02396	0.4
99.00783	0.5
101.02347	5.7
105.90019	0.2
113.02351	4.5
115.99034	0.2
117.90022	0.3
119.03419	5.1
121.73725	0.2
123.77743	0.2
125.02385	0.5
131.03459	0.7
135.04486	0.4
137.09741	0.2
143.03432	1.5
149.04541	0.7
161.02432	0.3
161.04480	2.6
179.03304	0.3
179.05573	5.9
183.10205	0.2
195.03185	0.2
202.09380	0.2
203.05635	0.3
269.10352	1.2
327.14719	0.5
345.15588	0.6
362.86121	0.2
387.16266	1.0
387.20731	0.9
401.14651	1.4
403.11078	0.6
411.18680	0.2
447.16553	0.4
447.22711	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	447.2248
Annotation	Sachaloside I
Peak:m/z	Relative Intensity
52.29324	0.2
55.01768	3.6
57.03337	3.9
58.00480	1.9
59.01265	52.1
60.01607	0.5
61.98723	2.7
67.01798	0.3
68.99722	0.4
69.03335	1.8
71.01270	78.7
71.57661	0.3
72.01611	1.3
72.99199	3.4
73.02838	28.1
74.03188	0.5
74.98972	0.3
75.00768	2.3
81.03351	0.7
83.01281	8.7
84.02068	0.6
85.02843	30.7
86.03172	0.4
87.00773	3.5
89.02339	28.8
90.02657	0.5
95.01285	4.5
97.02850	3.7
97.25298	0.2
99.00782	16.8
99.04404	0.8
100.01094	0.4
100.21693	0.2
101.02348	45.6
102.02676	0.8
109.02870	1.0
111.00790	1.0
113.02360	28.3
114.02725	0.7
115.03934	1.8
119.03414	4.3
123.04406	0.3
125.02366	4.9
127.03931	0.4
129.01868	1.2
131.03432	4.7
133.02870	0.5
135.04469	0.7
136.95493	0.3
141.01895	0.4
142.28616	0.3
143.03429	3.6
149.04495	6.3
149.05989	1.8
153.01857	1.6
155.61229	0.2
159.02927	5.3
161.02339	1.0
161.04503	39.2
162.04816	0.9
179.03426	0.7
179.05571	1.5
191.05573	2.3
205.03516	2.7
209.08078	0.6
211.13484	0.6
227.03506	1.0
233.06709	3.7
241.09802	0.4
242.02419	0.3
242.65265	0.3
251.07832	0.6
255.03065	1.2
256.03427	0.3
267.06543	0.4
282.08987	0.3
284.03326	1.1
285.04117	1.7
291.07294	0.2
293.08823	1.5
295.02353	0.4
297.06223	1.0
299.02151	0.3
300.02646	0.3
315.18192	35.2
316.18552	3.3
327.12436	0.6
327.18146	0.5
345.19275	1.0
359.17270	0.9
371.11572	0.4
387.20169	0.9
447.22394	100.0
448.22742	12.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2246
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01774	3.8
57.03337	3.0
58.00481	1.6
59.01266	30.2
60.01597	0.2
61.98707	0.2
67.01746	0.2
67.96169	0.2
68.99714	0.3
69.03343	1.3
71.01270	62.4
71.58092	0.3
72.01608	1.0
72.99200	2.5
73.02837	25.0
74.03162	0.5
74.23592	0.2
75.00760	1.6
81.03365	0.7
83.01275	8.2
84.01614	0.2
84.02061	0.6
85.02842	26.4
85.99985	0.5
86.03184	0.5
87.00770	2.7
89.02336	18.6
90.02715	0.3
90.34441	0.2
93.03369	0.3
95.00650	0.2
95.01285	4.2
97.02841	2.2
99.00781	10.6
99.04400	0.4
100.01105	0.3
101.02348	40.4
102.02686	0.8
109.02857	0.2
111.00774	0.9
113.02356	23.1
114.02707	0.8
115.03915	1.4
119.03417	3.8
119.04920	0.4
125.02369	2.7
127.53320	0.2
129.01834	1.0
131.03418	3.1
132.02202	0.2
133.02913	0.4
135.04443	0.7
137.02362	0.4
141.01941	0.2
143.03442	2.7
149.04489	4.0
159.02943	4.2
161.02339	0.7
161.04500	25.2
162.02679	0.2
162.04753	0.9
179.05592	0.5
180.04234	0.2
191.05568	1.0
191.31802	0.2
205.03513	1.3
211.13301	0.3
225.14966	0.2
227.03484	0.6
233.04524	0.3
233.06599	1.5
252.00491	0.2
255.03053	0.6
267.03064	0.5
282.01602	0.2
284.03146	0.5
285.04013	0.9
285.20819	0.6
293.08798	0.5
295.02478	1.8
296.03256	0.6
315.18182	35.9
316.18542	3.3
323.01895	0.2
357.19461	0.3
359.17133	0.7
387.19992	0.4
447.07651	2.9
447.22336	100.0
448.08386	0.3
448.22696	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	447.2247
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01780	4.7
55.39777	0.5
57.03342	4.1
58.00474	2.8
59.01264	77.5
60.01593	1.0
69.03353	1.3
71.01270	88.8
71.59009	0.5
72.01617	1.4
72.99202	4.1
73.02836	28.2
75.00764	2.3
83.01274	10.4
84.59287	0.5
85.02843	33.8
87.00771	4.2
89.02338	42.8
94.79050	0.5
95.01271	5.6
97.02860	2.5
99.00777	14.1
101.02346	54.6
102.02685	0.9
111.00807	2.1
113.02354	37.1
114.02685	0.8
115.22762	0.5
119.03419	13.4
125.02345	2.1
129.01863	1.8
131.03430	7.7
139.56371	0.5
141.01884	0.6
143.03430	5.8
149.04498	6.0
157.08261	0.5
159.02921	6.5
161.04501	37.7
162.04871	1.2
179.03421	0.5
179.05576	5.3
191.05592	5.2
201.19708	0.6
205.03476	1.5
211.13387	1.7
233.06714	2.1
295.02585	0.7
315.18198	51.7
316.18546	5.3
345.19205	1.2
387.20273	1.3
447.22421	100.0
448.22729	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	447.2247
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15323	0.2
59.01265	100.0
60.01613	1.1
61.98720	4.2
71.01271	7.2
71.44042	0.2
72.99200	0.4
73.02843	1.1
74.78664	0.2
83.01277	0.4
85.02842	1.3
87.00774	0.5
89.02339	5.6
95.01295	0.6
101.02349	4.6
113.02340	2.7
119.03423	3.1
131.03436	0.4
139.07568	0.4
143.03479	0.8
150.03224	0.3
159.03032	0.4
161.04501	3.5
179.05597	1.3
183.10295	0.3
189.12808	1.5
203.05641	0.5
207.13968	0.6
241.40688	0.2
244.32065	0.3
327.14664	0.6
330.93570	0.2
345.15680	0.5
387.20551	5.6
388.20789	0.7
403.10788	1.9
447.22662	1.4
448.23068	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2245
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01775	0.9
57.03325	0.8
58.00474	0.5
59.01264	100.0
60.01606	1.0
62.11379	0.3
71.01270	12.9
72.01617	0.7
72.99200	0.7
73.02835	3.4
75.00764	0.4
80.57314	0.3
83.01281	2.0
85.02849	5.5
87.00792	1.0
89.02339	6.0
94.96210	0.3
95.01300	0.8
96.95914	0.8
97.02860	0.3
99.00227	0.3
99.00763	1.5
101.02346	9.3
102.02688	0.4
110.26132	0.3
112.19541	0.3
113.02349	5.4
119.03400	2.8
143.03409	0.7
145.73802	0.3
151.00349	0.3
159.02960	1.2
161.04494	7.1
163.11223	0.6
179.05536	1.4
181.69862	0.4
189.12723	0.5
207.13849	0.5
211.74420	0.3
225.14932	4.1
237.72504	0.3
255.02914	0.3
263.01373	0.3
285.03894	0.4
329.10422	0.4
387.20334	45.1
388.20636	4.1
447.22263	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2249
Annotation	Sachaloside I
Peak:m/z	Relative Intensity
50.81903	0.2
55.01768	2.8
57.03340	2.2
57.82298	0.2
58.00481	1.0
59.01265	21.6
60.01585	0.3
61.98697	0.6
67.01788	0.3
68.99714	0.3
69.03357	0.5
69.87358	1.5
71.01270	44.3
72.01601	0.7
72.99193	1.5
73.02837	18.3
74.03161	0.2
74.70315	0.2
75.00771	0.9
83.01275	4.9
84.02065	0.3
85.02845	19.9
85.99972	0.7
86.03159	0.4
87.00775	1.4
89.02338	10.8
90.02703	0.2
95.01292	4.0
97.02875	1.2
98.20530	0.4
99.00779	9.6
100.01134	0.2
101.02345	26.6
102.02672	0.5
111.00797	0.7
113.02359	18.1
114.02695	0.5
119.03413	2.4
125.02410	1.2
127.36742	0.3
129.01845	0.6
131.03423	1.2
135.04446	0.4
137.47415	0.2
139.00250	0.3
143.02507	0.2
143.03452	1.4
143.04402	0.2
149.04506	0.5
159.02931	2.7
160.03305	0.3
161.04504	16.7
162.04810	0.6
179.05516	0.4
191.05658	0.5
205.03500	0.7
211.13495	0.2
249.14851	0.3
255.03003	0.6
284.03296	0.4
285.04059	0.6
295.02545	0.3
315.18195	18.5
316.18481	1.3
447.22433	100.0
448.22784	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	447.216
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71658	0.1
59.01258	0.9
62.96287	0.2
64.52775	0.1
69.74899	0.8
69.75316	0.3
73.29545	0.1
78.95792	52.8
85.73412	0.1
88.17179	0.1
93.00607	0.1
96.96862	6.2
98.20473	0.3
124.21560	0.1
150.97954	1.6
152.99530	100.0
153.99899	1.5
166.54839	0.1
171.00598	4.6
208.70613	0.1
293.21176	0.2
447.21594	8.9
448.21951	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.216
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	1.6
61.98716	0.2
62.96294	0.2
70.64314	0.5
71.01252	0.2
78.95795	53.3
84.87479	0.1
89.02356	0.1
96.96864	6.2
97.47962	0.1
145.00969	0.1
150.97937	1.6
152.99530	100.0
153.99893	1.6
171.00603	4.6
211.84943	0.1
235.16956	0.1
387.20328	0.2
447.21634	9.7
448.22284	1.1
455.92963	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2245
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01776	1.7
57.03339	1.5
59.01265	100.0
60.01589	1.5
71.01270	23.5
72.99195	1.7
73.02855	7.5
83.01269	2.9
85.02838	9.4
87.00754	1.2
89.02321	5.0
95.01262	1.9
99.00758	2.6
101.02345	19.1
113.02347	11.1
119.03378	1.5
125.02324	1.3
128.62592	0.9
137.09717	1.2
143.03448	1.2
159.02914	3.1
161.04498	22.5
179.05544	1.7
189.12720	1.3
195.13940	1.5
207.13989	1.1
225.15007	9.4
241.33467	1.0
287.51544	1.2
325.86081	1.0
387.20352	23.4
388.20480	3.1
438.05334	1.0
447.09311	1.8
447.26135	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	447.2157
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05039	0.2
59.01268	5.1
61.98709	0.3
62.67199	0.2
71.01266	0.6
71.57018	0.3
78.95795	51.6
89.02354	0.4
96.95945	0.3
96.96867	6.2
99.00812	0.2
101.02335	0.3
110.53046	0.2
114.93360	0.4
116.92776	1.2
117.01793	0.2
118.89834	0.2
118.97881	0.3
133.02849	0.3
135.01321	0.2
145.02881	0.3
148.99980	0.2
150.97958	1.3
152.99529	100.0
153.99881	1.9
159.74333	0.2
161.02412	0.4
161.04581	0.3
163.03973	0.3
164.27350	0.2
171.00592	4.3
225.15015	0.3
233.88023	0.3
235.17058	0.3
240.23073	0.3
260.35144	0.2
275.20499	0.3
329.14001	0.3
387.20291	0.8
420.07663	0.3
435.09457	0.3
447.08597	0.6
447.14005	0.6
447.21664	13.9
448.22031	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	447.216
Annotation	Cochinchinone A
Peak:m/z	Relative Intensity
54.05572	0.2
56.23787	0.2
59.01263	2.7
61.98705	0.3
62.96284	0.4
67.98086	0.2
70.16986	0.5
70.17388	0.4
78.91763	0.3
78.95795	51.1
85.02817	0.2
96.96866	6.5
98.20421	0.3
101.02353	0.2
121.83665	0.2
130.49190	0.2
135.04501	0.3
145.02927	0.3
149.00058	0.5
150.97957	1.6
152.99525	100.0
153.99875	1.7
161.04518	0.2
163.03946	0.3
171.00612	4.2
212.90538	0.2
225.14902	0.2
231.06801	0.2
253.37347	0.3
274.26834	0.2
293.21295	0.4
387.20270	0.3
409.13104	0.4
430.03442	0.2
447.13705	2.5
447.21704	15.0
448.14105	0.3
448.21942	1.5
464.77734	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1518
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01774	0.8
58.00471	1.1
59.01268	21.3
71.00896	0.9
71.01274	15.4
71.43197	1.0
72.01611	0.6
72.99197	1.2
73.02497	0.6
73.02853	7.1
75.48737	0.5
83.01286	3.3
85.02841	4.5
87.00769	1.4
89.02345	14.9
93.27911	0.4
95.01264	0.9
96.96896	0.5
97.02881	2.6
99.00780	11.8
101.02352	23.9
102.02669	0.5
113.02360	7.3
118.97972	1.0
119.03407	3.4
123.04456	2.6
125.02380	1.0
130.87511	0.4
131.03441	2.5
133.01546	0.5
135.04457	26.0
136.04779	1.3
143.03423	1.4
149.04518	1.9
153.05518	2.2
161.04549	3.4
161.90910	0.4
177.86566	0.5
181.86107	0.4
191.05569	4.2
195.06558	0.5
225.07697	0.6
233.06734	0.8
297.09766	1.2
315.10971	10.1
315.14215	0.3
316.11261	0.9
387.20398	0.6
447.15167	100.0
448.15573	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	447.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40720	0.2
59.01270	0.8
62.96302	1.1
70.44342	0.7
73.17551	0.1
78.95795	40.5
79.38264	0.2
94.27172	0.2
96.96861	3.4
98.07216	0.2
103.12808	0.2
109.72285	0.2
149.00034	18.2
150.00352	0.3
152.99529	7.4
158.92451	1.4
169.52512	0.2
171.00537	0.3
179.01106	2.6
205.15948	1.3
240.96796	0.4
267.11606	0.3
347.08191	0.5
353.43066	0.2
417.12622	0.9
431.10361	2.6
432.10535	0.5
447.13519	100.0
448.13898	12.2
448.18872	0.2
448.20529	0.3
464.10220	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1518
Annotation	CHEBI:68964
Peak:m/z	Relative Intensity
52.20297	0.5
55.01768	1.3
57.03335	0.8
58.00475	1.7
59.01264	39.9
70.00851	3.0
71.01268	46.2
72.01616	1.1
72.99200	2.2
73.02485	0.7
73.02841	6.3
75.00755	0.6
75.19791	0.5
83.01276	3.7
85.02840	13.8
87.00768	3.0
89.02335	34.1
95.01292	2.5
97.02793	0.7
99.00777	9.0
101.02341	25.0
102.02629	0.6
109.02831	0.8
113.02356	15.7
119.03417	11.8
123.04443	3.5
131.03424	21.1
131.61526	0.5
135.04449	39.8
136.04782	1.4
137.12094	0.6
143.03438	1.3
149.04497	6.0
151.03937	0.9
152.00992	0.7
153.01909	1.5
153.05518	3.0
161.04514	1.8
179.05672	1.4
191.05576	15.5
191.07314	0.8
196.28757	0.6
233.06651	3.0
315.10928	32.8
316.11349	2.8
387.20145	0.9
447.15167	100.0
448.15454	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	447.1518
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36061	0.5
52.71725	0.6
58.00471	0.9
59.01265	14.3
70.17226	1.6
70.17639	1.1
70.39643	0.5
71.01266	11.5
71.76035	0.6
73.02834	5.4
77.38010	0.5
80.14078	0.7
85.02839	2.8
89.02338	15.2
95.01279	1.2
96.95919	1.0
98.02362	0.7
99.00776	26.9
101.02343	8.4
103.78453	0.5
107.18494	0.5
107.46197	0.5
107.81704	0.5
113.02351	11.5
119.03408	2.8
123.04423	1.1
131.03452	3.1
135.04456	18.5
136.04788	0.6
143.03462	0.9
149.04515	5.7
153.05553	1.0
155.99127	0.6
161.04472	3.0
180.06288	0.6
191.05547	6.5
225.07631	0.8
233.06607	1.0
272.42877	0.6
315.10928	9.7
316.11136	0.8
322.22763	0.6
420.48941	0.6
447.15152	100.0
448.15472	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	447.1306
Annotation	Siebolside A
Peak:m/z	Relative Intensity
50.94881	0.6
55.01760	1.3
58.00498	0.8
59.01264	24.6
61.98703	1.6
69.03341	66.6
70.03682	2.1
71.01270	4.1
71.28259	1.3
72.83647	0.6
73.02834	1.5
79.01768	6.8
81.03364	3.6
83.01272	0.9
85.02835	2.8
88.58350	0.7
89.02343	1.6
95.01287	8.6
96.95918	10.3
97.02850	39.0
97.19746	0.6
98.03179	0.9
99.00758	1.2
101.02366	3.5
107.01296	31.5
107.04918	0.7
108.02086	29.3
109.02869	3.0
113.02370	2.5
119.04961	0.9
121.02896	3.6
123.00790	13.6
123.04425	0.7
125.02366	100.0
126.02688	3.9
133.02893	1.4
135.00807	92.1
136.01418	3.0
137.02361	2.8
149.02393	1.5
151.00307	64.3
152.01096	60.6
153.01888	15.8
154.02246	0.8
161.02422	1.2
161.04472	1.7
163.03891	4.7
177.01884	6.6
183.08118	1.7
191.03380	1.1
197.06107	1.8
198.06792	0.8
203.05676	1.2
219.02948	0.7
225.05537	1.0
225.14864	0.9
242.02246	1.0
242.05870	61.7
243.06625	94.5
244.06982	8.4
255.02971	1.2
285.04108	0.7
285.07782	2.1
300.02872	0.8
339.07367	3.2
357.08194	1.7
380.44632	0.7
387.20413	1.5
447.13135	37.0
448.13370	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	447.0943
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	9.0
60.33461	0.2
61.98722	0.3
63.02281	0.3
65.00216	0.9
71.01275	2.2
73.02824	0.6
75.00767	4.3
83.01290	0.9
85.02857	0.7
89.02348	1.1
93.03354	0.2
95.01286	0.2
98.19815	0.7
99.00787	0.2
101.02350	1.6
107.01289	2.0
108.02126	0.3
109.02849	0.3
112.41920	0.2
113.02356	0.8
119.03436	0.6
119.04949	0.8
121.02861	0.5
125.02380	0.4
129.94456	0.2
131.03459	0.2
133.01855	0.4
133.02872	7.6
134.03229	0.5
135.04453	0.4
137.02388	0.5
139.72385	0.2
145.02850	1.0
146.03261	0.3
148.01591	0.3
149.02367	1.9
149.04443	0.3
151.00307	6.3
152.00697	0.3
159.02869	0.2
161.02412	0.7
161.04483	0.8
163.00345	0.7
163.03934	0.6
163.43750	0.2
164.01041	0.2
164.04346	0.2
165.01909	0.2
169.06447	0.2
171.04437	0.4
175.03969	3.4
175.05453	0.3
177.01807	0.2
178.99840	0.8
179.03453	0.3
179.05617	0.3
183.04478	0.3
185.06151	0.4
189.05505	0.2
189.28137	0.2
197.06036	0.2
198.03188	0.4
199.03996	3.1
201.01900	1.2
207.13983	0.2
211.03954	0.3
212.04729	0.4
213.05518	0.4
215.03539	0.8
217.05035	1.6
225.14877	0.4
226.02699	1.0
227.03523	1.3
229.05182	0.3
229.60446	0.2
234.54822	0.2
241.05000	1.0
242.02084	0.5
243.03061	4.5
244.03210	0.3
254.02327	0.8
255.03033	4.4
256.03787	3.0
257.04443	0.8
267.03006	0.4
270.01593	0.3
271.02545	14.7
272.02997	1.8
273.03873	0.3
283.02560	0.3
284.03348	3.5
285.04108	100.0
286.04456	9.2
299.02112	0.2
300.02814	18.7
301.03537	7.1
302.03845	0.7
314.04382	1.0
387.20325	5.4
388.20743	0.5
446.62250	0.4
447.09390	44.9
448.09720	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	447.0944
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18942	0.1
50.41459	0.2
51.46061	0.1
58.02872	0.2
59.01263	4.5
61.98729	0.3
63.02307	0.3
64.46381	0.2
65.00201	0.8
69.28860	1.7
71.01260	1.1
73.02852	0.3
83.01273	0.8
85.02862	0.5
89.02353	0.4
91.00250	0.1
96.95923	0.2
98.20723	0.2
101.02362	0.9
102.01872	0.2
103.64143	0.2
107.01295	2.2
113.02372	0.4
117.03409	0.3
117.28258	0.1
119.04957	0.3
121.02890	0.7
127.45940	0.2
127.96162	0.2
132.02040	0.2
133.02866	7.7
134.03279	0.3
135.04460	0.2
137.02402	0.5
145.02925	0.5
146.03183	0.3
149.02391	1.7
151.00310	5.9
151.01526	0.3
151.03891	0.2
152.00771	0.2
161.02400	0.3
161.04530	0.6
162.20123	0.2
163.00285	0.2
169.01436	0.2
169.06650	0.2
171.04507	0.3
175.03961	2.5
178.99870	0.4
179.05392	0.2
183.10281	0.2
185.06107	0.3
189.05501	0.3
197.06064	0.2
198.03180	0.3
199.03964	2.0
201.01944	0.6
207.13902	0.4
211.04001	0.2
213.05568	0.4
215.03502	0.4
217.05035	1.3
223.04088	0.2
224.44336	0.1
226.02730	0.3
227.03484	0.8
229.05194	0.3
241.05002	0.8
243.03029	1.9
244.03322	0.2
254.02286	0.3
255.03009	3.3
256.03693	0.4
257.04605	0.5
267.02988	0.2
271.02539	5.6
272.02875	0.6
281.06802	0.2
284.03281	1.0
285.04105	100.0
286.04459	8.2
300.02811	9.2
301.03546	3.2
387.20523	0.9
446.62357	0.2
447.09323	11.2
447.26248	1.2
448.09741	1.4
453.75900	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.0941
Annotation	Unknow
Peak:m/z	Relative Intensity
58.78268	0.2
59.01260	2.2
63.02280	0.4
65.00223	0.4
68.61942	0.2
71.27393	0.2
71.36398	0.4
83.01259	0.4
85.02826	0.3
93.03352	0.4
94.71878	0.2
101.02354	0.4
107.01290	0.8
117.03399	0.4
125.02373	0.6
132.02153	0.4
133.02933	0.3
135.00801	0.7
145.02875	0.3
151.00319	2.0
153.01875	0.4
154.52005	0.2
159.04424	0.4
163.00325	0.6
164.01091	0.3
165.01907	0.3
165.90039	0.2
169.01344	0.4
174.03171	0.3
178.99802	0.6
183.04565	1.3
185.06050	0.5
187.03970	0.7
199.03920	0.4
211.03998	1.5
213.05402	0.3
226.02635	0.2
227.03502	68.9
228.03859	5.2
228.38414	0.2
229.05087	2.2
239.03503	0.7
240.04088	0.3
241.05035	0.5
255.03021	90.5
256.03574	13.4
257.04404	1.3
269.04602	0.3
284.03320	66.9
285.04016	28.3
286.04456	2.1
327.05103	1.4
447.09402	100.0
448.09738	14.1
448.16068	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.0732
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01264	4.1
59.19504	0.2
61.98708	0.2
64.34488	0.2
71.00016	0.3
71.00362	0.5
71.01267	1.8
73.02837	0.7
75.00779	0.2
82.43168	0.2
85.02841	0.6
87.00782	0.3
89.02351	0.7
93.03400	0.3
94.52520	0.2
95.04896	0.4
101.02366	1.1
109.02862	1.4
113.02354	0.6
119.03411	0.4
119.04977	0.2
121.02905	0.3
123.04433	4.2
125.02388	0.3
133.02872	0.6
135.04413	0.3
150.03185	0.3
151.00362	0.3
151.03937	0.9
152.54823	0.2
161.02391	0.8
161.04518	0.7
165.05611	0.3
167.05000	0.6
174.03143	0.3
175.03979	0.2
176.82111	0.2
179.03432	0.2
183.04532	0.6
188.04706	0.3
195.04494	1.0
196.05287	0.5
198.03282	0.3
199.03986	0.3
210.03146	0.4
211.04001	2.4
212.04666	0.5
213.05582	0.5
215.84044	0.2
223.04010	3.1
224.04631	0.6
225.02025	0.3
225.15059	0.5
226.02734	0.2
227.03487	0.9
228.03781	0.2
237.01883	0.6
238.02780	0.4
238.44510	0.3
239.03508	5.2
240.04225	1.4
241.04842	0.5
251.03510	2.7
252.00684	1.0
252.03947	0.3
253.05176	0.3
254.02174	0.5
255.03078	1.3
257.04651	0.3
265.01443	0.8
265.05249	0.3
266.02249	0.8
266.06421	0.3
267.03030	13.9
268.03763	5.6
269.04346	0.8
278.02350	0.3
279.03284	0.3
281.04523	0.4
282.01770	4.4
283.02521	2.5
284.03177	0.9
285.04022	1.6
293.01132	1.4
293.04285	0.3
294.01785	0.3
294.05518	0.4
295.02533	60.4
296.03207	21.3
297.03909	4.0
300.02945	0.3
309.04184	1.4
310.04596	0.3
315.18085	0.3
322.01248	0.6
323.02011	6.7
323.05624	0.5
324.02344	0.7
325.03601	1.7
326.04019	0.3
328.02264	1.9
337.03439	1.1
338.04221	0.6
339.04828	0.3
387.20282	0.7
403.08362	1.0
429.06509	0.7
447.07285	100.0
448.07632	15.1
448.14227	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.0943
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	5.9
61.98707	0.8
62.02309	0.3
64.29340	0.3
65.00230	0.3
69.98489	1.5
71.48028	0.3
72.99199	0.3
73.02845	0.7
77.44164	0.3
85.02856	0.5
89.02344	0.6
89.33607	0.3
93.03367	0.4
101.02325	0.9
104.60538	0.3
107.01308	0.6
112.56950	0.3
113.02380	0.5
117.03388	0.5
119.03393	0.3
133.02878	0.3
135.00873	0.3
145.02881	0.5
147.61421	0.3
151.00310	1.8
161.04547	0.5
163.00346	0.5
165.01897	0.3
167.04822	0.3
169.01375	0.3
178.99840	0.5
179.05586	0.3
183.04460	0.9
185.06021	0.6
187.03833	0.4
203.84155	0.3
211.03906	1.3
212.45590	0.3
213.05579	0.3
227.03496	57.6
228.03880	3.8
229.05003	1.5
239.03468	0.4
241.04997	0.4
255.03020	68.3
256.03555	9.7
256.39624	0.3
257.04468	1.3
283.02481	0.5
284.03317	52.5
285.04007	18.2
286.04456	1.0
315.88852	0.3
327.05161	0.7
387.20410	0.8
446.62250	0.5
447.09396	100.0
448.09760	13.5
448.16083	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.0952
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95628	0.7
59.01266	40.6
61.98721	3.0
64.01794	2.3
65.99734	1.2
70.00845	3.3
71.01271	15.9
72.99203	1.7
73.02836	6.7
78.95801	4.5
79.95612	0.7
83.01270	2.2
85.02845	11.1
87.00759	1.7
89.02341	6.8
94.02894	0.9
95.01270	2.1
96.95921	26.4
96.96845	8.0
98.02377	4.3
99.00780	1.1
101.02353	11.2
108.58075	0.7
113.02364	15.2
113.03157	1.0
119.03405	2.8
122.02393	1.4
122.03636	1.5
125.02332	1.3
134.02431	3.8
138.01909	3.7
138.02917	0.5
138.05576	1.7
149.02327	1.8
149.04422	0.8
150.01964	2.4
150.03171	28.5
151.03751	1.3
159.02872	0.7
161.02539	0.7
161.04471	1.9
162.01927	2.7
164.03551	1.3
180.02980	7.8
181.71468	0.6
190.81203	0.6
198.04077	1.6
206.07808	0.6
240.05380	0.7
314.13434	1.4
360.09399	10.8
361.09998	1.2
402.10501	100.0
403.10910	11.4
418.35535	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01267	5.0
60.13402	0.4
71.01258	1.6
71.21535	0.8
71.21867	0.5
89.02353	1.0
93.03373	0.8
94.01554	0.4
95.01220	0.4
97.55814	0.5
101.02330	0.7
106.79100	0.4
112.35345	0.4
115.26994	0.4
117.03384	22.6
118.03730	0.9
145.02890	100.0
146.03233	5.5
153.09161	0.8
176.09166	0.4
179.82069	0.4
183.37946	0.5
195.95532	0.4
205.12311	0.7
210.06761	0.4
223.13350	0.9
263.07220	1.3
291.06870	0.5
299.16611	5.5
300.17148	0.6
385.18796	1.0
403.19153	2.9
404.19699	0.5
417.20840	0.7
445.20300	7.3
445.33215	2.0
446.20688	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2088
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61348	0.2
55.01747	0.3
55.18778	0.2
56.26418	0.2
57.03344	0.4
59.01264	100.0
60.01601	1.1
69.03352	0.6
69.26955	2.0
71.01266	6.1
72.99207	0.3
73.02834	1.7
83.01286	0.8
85.02850	2.6
87.00775	0.8
89.02334	2.6
93.03374	0.3
95.01293	0.5
97.02858	0.4
98.19821	0.4
99.00796	0.8
100.61454	0.2
101.02345	4.1
107.01334	0.5
109.02878	0.5
109.06514	0.3
111.00799	0.3
113.02354	5.4
114.82171	0.2
117.03403	0.7
119.03396	1.3
119.04980	0.9
121.02859	1.2
123.04457	0.3
124.01579	0.7
125.02401	0.5
131.03476	0.2
133.02962	0.5
133.04985	0.4
135.04477	0.9
137.02396	0.7
137.09673	0.4
138.06786	0.4
139.07555	0.3
143.03452	0.6
145.02872	2.4
149.02388	0.4
149.06010	1.2
150.03110	0.3
150.06335	0.4
151.00314	1.7
151.03970	0.3
151.07637	0.8
152.99536	0.4
153.09161	2.9
159.03012	0.5
159.04364	0.2
161.02437	1.8
161.04532	4.2
161.05898	0.3
163.03995	0.5
163.06224	0.2
165.09161	3.5
169.12350	0.2
175.04025	0.2
178.99826	0.8
179.03448	0.3
179.05597	0.3
187.03946	0.3
191.03746	0.2
194.99158	0.2
205.03432	0.3
205.05278	0.3
205.07173	0.3
205.12381	0.6
209.11842	0.6
223.13400	1.5
227.03539	0.2
243.03041	0.9
245.04585	0.3
254.02220	0.3
255.02942	2.1
265.10934	0.3
271.02557	4.7
272.02884	0.6
277.14441	0.2
281.06613	0.3
299.01978	0.3
299.11496	0.3
300.02802	6.1
300.06174	0.4
301.03558	9.2
302.03812	1.0
323.07962	0.7
331.17752	2.0
376.70532	0.2
382.95874	0.2
385.18729	8.2
386.19009	1.0
445.07724	4.2
445.16406	0.9
445.20682	1.0
446.12683	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1725
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01777	2.4
56.93869	0.7
57.03340	2.4
58.00485	4.9
59.01263	100.0
60.01621	1.1
69.03338	2.8
70.91059	2.0
71.01266	45.3
72.02061	0.8
72.99194	5.9
73.02834	45.5
75.00772	1.4
75.94432	0.7
83.01257	4.5
85.02843	16.8
85.99972	3.3
87.00774	19.4
87.04410	7.8
89.02334	29.2
95.01309	1.5
97.02857	2.5
99.00781	1.0
99.04413	1.0
101.02344	37.3
103.03908	12.9
113.02362	8.8
115.03922	12.8
117.95511	0.8
119.03504	8.1
119.04939	41.4
120.05299	2.0
125.02380	4.1
125.07316	0.7
125.80945	0.7
127.03914	1.0
131.03436	15.6
137.06009	2.7
143.03435	17.7
145.04967	5.1
149.42839	0.6
161.04478	0.8
163.06067	12.6
188.15921	0.8
202.81288	0.7
205.07166	16.1
206.07509	0.9
299.11432	3.3
309.84778	0.7
445.17209	45.0
446.17560	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	445.237
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01267	2.5
71.01263	0.6
78.95790	5.0
79.54116	0.3
89.02358	0.4
98.20586	0.6
104.11119	0.3
110.98415	4.0
114.25362	0.4
127.56686	0.3
137.08997	0.3
144.37589	0.3
152.25658	0.3
152.99512	0.5
167.01109	2.0
185.02191	4.4
236.55023	0.3
259.20651	0.4
275.20145	0.4
277.21777	100.0
278.22131	10.7
297.15143	0.4
392.86179	0.4
445.23785	7.3
446.23819	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.203
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96379	0.1
59.01271	1.8
61.98701	0.2
68.92266	0.2
71.01266	0.4
89.02354	0.3
117.03374	22.9
118.03664	0.9
119.04946	0.4
121.02881	0.3
141.10104	0.2
145.02887	100.0
146.03221	5.0
153.09120	0.3
161.04500	0.3
168.94041	0.2
223.80338	0.2
245.76880	0.2
263.07248	0.3
299.16599	12.4
300.16891	1.5
385.18832	0.4
397.23352	0.2
403.18924	0.4
404.19241	0.3
445.20233	1.6
446.20624	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1725
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01769	1.2
57.03319	1.1
58.00477	2.6
59.01266	61.5
60.01603	1.6
60.96917	0.7
67.18433	0.5
68.35791	0.5
69.03336	1.3
69.65252	4.1
70.16100	0.6
71.01273	28.9
72.99189	4.6
73.02839	28.8
75.00770	1.0
76.32089	0.6
83.01279	3.0
85.02844	12.2
85.99973	1.9
87.00774	12.2
87.04417	4.4
89.02339	23.7
95.01283	0.8
96.95930	1.7
96.96891	0.6
97.02852	1.0
98.02390	1.0
98.20516	1.4
99.00790	1.4
99.04433	0.9
101.02348	35.0
103.03914	13.5
113.02372	4.9
115.03925	7.6
118.33641	0.6
119.03447	11.0
119.04941	25.5
120.05283	1.0
125.02384	2.3
127.03968	1.2
131.03433	11.2
132.67871	0.6
137.05989	1.7
137.08844	0.7
143.03438	11.5
145.05008	4.4
154.54561	0.7
161.04509	0.9
163.06075	31.7
164.06435	1.4
179.05585	1.9
205.07167	26.9
209.04282	0.7
243.28737	0.7
265.09311	1.5
273.52689	0.7
299.11432	6.1
445.17252	100.0
446.17554	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	445.1725
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00631	0.8
55.01780	1.6
57.03336	1.4
58.00485	4.8
59.01265	100.0
60.01602	0.7
61.46864	0.7
69.03345	1.4
70.86286	2.0
71.01271	50.7
72.99196	5.4
73.02832	17.8
75.00774	0.9
83.01283	3.5
85.02843	16.8
86.00004	2.3
87.00775	12.5
87.04403	4.5
89.02338	43.9
95.01280	3.5
96.65872	0.8
96.95943	1.5
97.02858	0.8
99.00785	1.6
99.04426	0.9
101.02350	29.5
101.03014	1.7
103.03922	6.6
108.71658	0.9
109.02973	0.7
113.01615	1.2
113.02360	14.5
115.03922	5.5
119.03444	16.4
119.04932	31.7
120.05276	1.3
125.02380	2.0
127.03905	1.0
131.03415	8.0
137.02425	0.7
137.06032	4.3
143.03433	10.2
145.04994	2.1
149.04523	1.1
150.21118	0.7
161.04526	1.7
163.06087	10.9
164.06427	0.8
179.05566	3.0
205.07135	10.4
247.08308	2.4
260.77460	0.9
299.11392	15.1
445.17242	58.6
446.17538	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1363
Annotation	Bungeiside D
Peak:m/z	Relative Intensity
55.01764	1.7
57.03330	1.6
58.00481	3.6
59.01266	68.0
69.03346	8.1
70.76767	0.9
70.77108	1.9
71.01273	95.7
72.01591	1.8
72.99212	4.9
73.02841	12.3
74.42297	0.8
81.03349	5.6
83.01287	5.5
85.02849	15.2
86.58266	0.9
87.00771	4.8
87.01208	0.8
89.02340	100.0
92.76193	0.8
95.01292	3.2
97.02849	11.4
99.00782	3.5
101.02355	26.0
101.79540	0.8
106.04149	1.5
107.04941	30.4
108.02072	1.1
108.05308	1.4
111.00778	1.5
113.02369	15.1
119.03399	5.3
121.02857	1.1
122.03628	1.6
123.04430	9.5
125.01443	1.9
125.02371	37.1
127.03865	0.9
131.03438	27.2
134.03795	0.8
138.03108	0.9
139.03989	1.8
143.03407	5.2
149.04501	26.8
150.04926	0.9
151.03952	83.0
152.04303	4.1
153.05455	0.8
159.03014	1.3
161.04491	5.5
178.98634	0.8
191.05586	13.6
232.01500	0.8
233.06683	11.3
258.66669	0.9
278.04431	0.8
293.05621	1.5
293.08850	24.3
294.09161	1.5
363.20801	1.1
379.96994	0.9
445.13550	81.4
446.14020	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	444.1157
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46341	0.4
56.77188	0.5
59.01266	3.4
61.98716	65.2
63.73893	0.4
71.01276	3.3
71.58134	0.7
73.02833	4.0
75.00775	1.1
75.77888	0.4
78.20118	0.4
83.01292	1.0
85.02834	0.6
89.02350	1.7
95.68603	0.4
99.00780	0.9
101.02343	2.6
113.02367	1.0
131.03314	0.4
131.04968	0.5
132.05702	1.1
133.06520	100.0
134.06854	4.9
135.04407	0.6
137.02362	0.7
143.03403	0.5
161.02365	1.7
161.04501	1.8
203.05568	0.7
293.09018	0.5
337.13031	1.3
399.95096	0.5
418.65701	0.5
432.44998	0.4
445.20670	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1174
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01326	0.4
58.61415	0.4
59.01268	8.2
61.00914	0.5
65.10570	0.4
71.01266	1.4
71.57791	0.9
77.29884	0.5
78.95791	0.9
79.95631	2.0
85.02862	0.8
89.02334	1.1
96.95912	100.0
101.02344	1.2
102.91080	0.4
113.02332	0.8
116.28928	0.4
116.97976	0.4
121.02888	3.3
133.02864	0.9
135.04456	2.9
137.02383	0.6
152.99327	0.5
153.09167	0.8
161.02420	4.2
161.04518	0.7
176.10553	0.5
179.03455	2.1
181.06578	1.1
188.34302	0.5
188.98657	0.5
191.00259	0.7
205.12338	1.1
205.98987	0.6
216.98264	0.8
223.13463	0.8
225.05540	1.2
230.99709	1.4
233.01274	1.2
234.99286	2.0
258.99319	1.6
277.00385	7.9
309.07776	0.5
322.76001	0.5
347.15085	10.9
348.15344	1.3
358.58710	0.5
385.18967	1.3
401.08722	0.6
445.11630	8.4
445.33243	1.0
446.12888	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1569
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03337	11.4
59.01266	17.5
61.98716	1.6
64.41135	0.7
68.35663	0.6
71.01270	7.9
72.99200	1.0
73.02847	3.4
75.00777	0.6
83.01287	1.3
85.02846	2.0
87.00770	1.7
89.02335	7.5
93.03381	0.8
96.95889	0.7
98.02361	0.8
98.20600	0.9
98.71559	0.6
99.00780	0.6
99.04417	6.6
101.02351	10.6
113.02354	2.6
113.05973	0.7
117.03374	4.6
119.03453	5.1
119.04944	54.4
120.05297	2.0
125.02367	5.8
133.02896	5.1
135.04442	2.0
135.06699	0.8
145.02895	17.5
149.06021	1.4
161.02400	16.0
161.04454	1.1
162.02769	1.0
163.03960	100.0
164.04276	4.4
179.03409	1.0
179.05595	1.4
194.04050	0.7
195.04901	0.9
221.11841	1.0
238.30406	0.7
240.61800	0.6
299.11420	7.8
341.12402	2.5
381.15414	1.1
383.17664	0.7
411.16489	1.0
443.15643	28.0
444.16034	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1568
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32780	0.2
54.51398	0.2
58.00480	0.2
59.01267	3.5
60.30308	0.2
61.98716	0.7
70.60499	0.7
71.01263	2.6
72.99191	0.3
73.02843	0.7
78.63278	0.2
83.01303	0.3
85.02849	0.9
87.00771	0.4
89.02346	1.8
93.03375	0.6
98.02499	0.2
99.04441	0.2
101.02358	1.7
101.44360	0.2
101.45641	0.2
104.85480	0.2
113.02367	1.5
117.03375	3.1
119.04946	50.1
120.05288	2.5
121.02895	0.2
123.04403	0.2
128.03427	0.2
129.73271	0.2
133.02882	0.3
135.04561	0.5
135.06531	0.5
145.02893	12.0
146.03241	0.4
149.06017	9.9
150.06367	0.3
161.02406	0.5
161.04474	0.2
163.03958	100.0
164.04292	4.8
179.01709	0.3
180.02484	0.5
194.04054	0.5
195.04794	0.3
201.07602	0.4
202.06398	0.3
203.03450	0.3
209.06422	0.5
221.11710	0.5
231.10458	0.3
297.12131	0.3
363.10709	0.3
379.46057	0.2
411.16705	0.4
443.15665	14.2
444.16141	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1934
Annotation	Mitoxantrone
Peak:m/z	Relative Intensity
55.01766	1.5
57.03327	1.0
58.00493	2.1
58.06024	0.4
59.01268	30.4
60.01585	0.4
69.43546	0.4
69.79979	0.5
69.80396	1.8
71.01273	24.7
72.23898	0.4
72.99207	2.4
73.02836	3.9
75.00741	0.6
79.52015	0.3
83.01280	3.3
85.02850	8.4
86.00001	0.4
87.00774	1.3
88.61867	0.4
89.02340	14.1
95.01297	2.1
96.95930	0.5
98.02363	0.4
99.00777	1.9
101.02351	19.4
111.04430	1.0
113.02367	8.5
119.03421	5.3
121.06539	0.5
123.08078	0.5
125.02353	0.8
131.03444	0.4
131.04955	1.1
135.04446	1.0
143.03448	0.9
149.05991	0.8
161.04501	1.0
171.11728	0.8
189.12787	1.7
219.13834	0.6
237.14951	1.0
293.09027	0.8
443.19324	100.0
444.19675	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	443.1568
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01773	1.0
57.03329	1.3
58.00478	1.0
59.01265	100.0
60.01609	1.0
62.21720	0.6
71.01267	26.1
72.01626	0.7
72.99197	1.4
73.02837	11.7
73.58736	0.5
75.00771	0.6
83.01286	3.9
85.02840	12.2
87.00795	2.6
89.02338	6.1
95.01304	1.7
96.95927	1.4
97.02888	1.3
98.20533	2.4
99.00759	4.6
101.02341	18.9
107.04906	0.7
110.08726	0.6
111.00791	1.2
113.02362	11.0
119.03466	0.7
119.04962	1.5
125.02405	1.4
131.03479	1.6
133.02908	1.0
135.04480	2.6
143.03448	2.5
145.41476	0.7
147.04485	0.9
148.16705	0.6
149.06038	3.0
150.03134	1.2
152.35484	0.5
159.02972	2.1
161.02472	4.3
161.04489	17.8
161.05835	0.9
175.03885	0.9
176.03511	1.0
179.03578	0.8
191.05704	0.9
203.03494	1.7
218.04732	0.8
230.05995	0.8
249.40398	0.6
251.09302	1.5
269.10361	41.1
270.10773	2.7
300.02832	1.4
311.11429	12.1
383.13190	0.8
399.06549	0.7
401.14569	20.4
402.15146	2.9
419.12286	1.2
434.12222	1.4
443.06854	0.9
443.15845	10.5
444.16278	1.8
466.26215	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1569
Annotation	Manglieside B
Peak:m/z	Relative Intensity
59.01262	4.5
61.10691	0.3
69.27531	2.2
69.27953	0.9
71.01270	4.5
73.02861	0.5
73.72292	0.3
81.03315	0.4
83.01315	0.3
85.02853	0.8
89.02335	5.2
97.02862	0.7
99.00793	1.3
101.02351	1.3
108.02058	0.3
113.02345	0.7
115.03919	0.4
119.03413	0.3
121.06536	0.4
122.03658	1.0
124.34801	0.3
125.02366	2.9
131.03415	0.8
134.03593	0.3
143.03436	0.4
147.04462	1.2
148.05261	2.6
149.06023	100.0
150.06358	4.4
185.91666	0.3
191.05615	1.0
233.06712	3.0
234.06956	0.4
281.90439	0.3
293.08881	5.7
294.09204	0.3
443.15521	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	443.1569
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97746	0.1
55.01779	0.4
57.03345	0.2
57.49183	0.1
59.01263	2.9
68.99699	0.2
69.03351	0.4
70.91220	0.2
70.91582	0.3
71.01271	4.2
72.99196	0.2
73.02832	3.3
75.00761	1.0
83.01276	1.1
85.02851	1.7
87.00768	1.5
89.02341	2.5
95.01288	0.3
97.02845	1.3
99.00782	3.9
99.04423	0.4
101.02344	6.1
104.39063	0.1
108.02113	0.4
109.02895	0.3
111.00800	0.6
111.53931	0.1
113.02375	1.7
115.03924	2.0
117.01849	0.2
119.03409	0.2
121.06512	0.2
122.03650	0.7
123.27206	0.1
125.02378	2.1
127.03946	0.4
131.03442	1.5
131.04922	0.2
132.02687	0.1
137.02313	0.2
143.03465	1.5
147.04443	1.5
148.05254	2.2
149.06026	100.0
150.06371	4.7
150.07619	0.2
155.03535	0.2
161.04504	1.5
167.03333	0.1
173.04495	1.1
175.06149	0.2
179.05603	0.1
179.07211	0.2
185.04634	0.2
191.05594	4.8
191.07092	0.2
192.05847	0.2
205.07112	0.4
215.05623	0.9
233.06689	8.5
234.07051	0.5
275.07779	0.7
293.08850	12.0
294.09213	0.8
311.11429	1.4
443.15607	6.4
444.15851	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2503
Annotation	9-Hydroxynerolidol-9-O-beta-D-glucopyranoside-2'-O-acetate
Peak:m/z	Relative Intensity
55.01770	0.3
57.03333	0.2
59.01265	100.0
60.01596	1.4
61.98717	0.4
70.97762	0.4
71.01270	4.6
73.02845	1.6
83.01277	0.7
85.02845	2.7
86.36559	0.2
89.02350	1.0
95.01299	0.5
96.95894	0.2
99.00772	0.4
101.02345	3.0
105.10172	0.2
113.02363	1.7
119.03441	0.3
123.48312	0.2
125.02408	0.5
133.02943	0.2
143.03404	0.3
153.84406	0.2
159.03024	0.3
161.02452	0.6
161.04521	2.8
164.04782	0.7
167.06119	0.3
173.18991	0.2
179.03438	0.2
179.07173	0.7
194.27396	0.2
382.14233	0.5
399.23959	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1359
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	5.1
61.98706	0.6
69.27446	4.6
71.01266	1.6
72.01622	0.5
73.02858	0.8
77.14533	0.4
77.49191	0.4
81.03380	0.6
84.51873	0.4
85.02834	1.0
89.02354	0.9
93.03382	0.6
95.04926	0.6
96.95943	0.9
97.02866	0.5
101.02299	0.9
107.04944	0.6
109.02864	1.5
113.02370	0.7
117.03381	5.8
119.04945	33.8
120.05291	1.5
121.02876	1.7
123.04394	0.6
132.02083	1.3
133.02882	29.6
134.03758	2.8
135.04453	59.5
136.04790	3.2
137.02357	2.1
139.03896	0.5
145.02892	21.9
146.03326	0.9
147.04474	1.1
149.06041	1.8
159.04471	1.5
161.02397	86.1
161.05981	4.7
162.02739	4.0
163.03958	23.8
163.07603	1.0
164.04355	1.5
175.07600	1.5
177.01880	0.6
177.05544	0.6
178.02725	0.7
179.03464	24.3
180.03796	1.4
187.07547	0.7
205.04976	0.5
205.08736	1.0
235.06082	0.5
235.09660	0.5
263.09448	1.2
279.08801	27.6
280.09146	1.9
281.10471	0.8
297.09872	20.7
298.10202	1.8
307.08319	1.4
407.77869	0.5
415.77753	0.4
434.49429	0.4
443.13577	100.0
444.13907	15.4
444.20120	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2505
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74343	0.4
59.01265	100.0
60.01601	1.1
60.25655	0.3
61.98726	1.5
63.02166	0.3
64.34889	0.3
70.73773	0.9
70.74146	0.8
71.01269	4.2
73.02845	1.5
81.55289	0.4
85.02843	0.6
88.08009	0.3
88.98705	3.0
89.02337	2.3
95.59485	0.4
101.02328	2.8
112.18747	0.4
113.02383	1.2
116.36886	0.4
119.03404	1.0
135.04471	0.5
145.02917	0.4
161.02419	0.6
163.03992	0.7
193.08559	0.9
217.00351	0.5
233.11690	1.2
251.11449	0.4
335.31149	0.4
351.21741	0.7
442.16589	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2501
Annotation	Dendronpholide M
Peak:m/z	Relative Intensity
55.01762	2.0
57.03337	1.4
58.00480	0.7
59.01265	100.0
60.01603	1.2
61.98710	0.7
65.46286	0.4
69.61594	1.3
69.62025	1.2
71.01270	18.8
72.01626	0.4
72.99197	1.0
73.02837	9.6
75.00784	1.2
77.60864	0.3
83.01269	3.6
85.02843	11.9
87.00776	1.3
87.04452	0.4
89.02322	1.7
95.01263	1.7
97.02859	0.7
99.00777	3.8
101.02345	20.5
102.02675	0.5
113.02357	7.7
119.03450	0.4
125.02396	1.5
129.01866	0.6
133.02847	0.5
135.04488	0.6
143.03459	1.1
145.02914	0.4
159.02962	1.1
161.02477	0.4
161.04507	7.3
162.04865	0.4
187.07733	0.4
217.00383	0.5
219.17529	0.4
221.15659	0.5
235.17062	0.4
279.19785	0.8
281.17612	0.8
331.15649	0.9
333.20807	0.6
338.68365	0.3
381.22842	4.4
381.27206	0.5
382.23492	0.5
399.23953	40.6
400.24316	5.3
441.19388	1.1
441.25281	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1774
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01769	1.9
57.03335	2.1
58.00480	4.0
59.01265	79.0
60.01617	1.2
61.98710	0.6
65.87682	0.4
71.01268	54.9
71.59532	0.9
72.01614	0.9
72.99197	4.7
73.02839	3.5
73.46902	0.5
81.03387	0.8
82.26234	0.5
83.01273	3.1
85.02843	13.3
87.00790	2.4
87.25460	0.5
88.98724	0.5
89.02338	56.1
90.02678	1.3
92.42545	0.5
95.01292	3.4
97.02860	1.6
99.00745	1.7
99.04419	1.2
101.02344	38.4
102.02663	0.6
107.04959	1.1
109.02859	7.6
109.03529	0.9
109.06471	0.9
111.04434	0.7
113.02362	21.7
119.03417	25.8
120.03745	1.0
121.06539	1.3
122.03667	1.5
123.04459	0.7
124.05244	1.9
125.02385	1.0
125.05994	0.6
129.32893	0.5
131.03415	2.4
133.02896	1.2
133.06516	13.0
134.06909	0.9
135.04449	1.9
135.08044	0.8
137.06015	3.3
139.07571	14.6
140.08035	0.8
143.03433	3.5
147.04498	0.6
149.04533	1.5
149.06035	3.7
150.06735	0.8
151.07620	0.9
159.02988	0.7
161.02423	3.5
161.04500	8.4
163.07628	0.9
166.41641	0.5
169.08630	2.5
177.12895	0.6
179.03494	1.0
179.05585	5.0
184.09023	0.5
187.11209	1.7
190.09885	0.6
199.11188	0.6
202.09872	0.8
204.11560	1.3
205.10655	0.7
205.12325	4.4
217.12375	4.6
235.13490	2.6
261.11441	1.3
269.10391	0.6
323.07947	0.8
330.13284	24.6
331.14011	16.7
332.14395	1.5
377.11859	0.9
379.17947	0.6
397.18750	5.1
440.65326	0.8
441.17740	100.0
442.18106	13.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1775
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	1.0
57.03340	3.6
57.97200	0.5
58.00475	1.5
58.65854	0.4
59.01266	33.9
66.99204	0.6
69.03348	0.7
69.40569	3.6
71.01272	19.1
72.99194	2.0
73.02827	1.1
79.05420	1.0
81.03335	1.2
83.01270	1.6
83.04913	2.5
84.02065	1.3
85.02850	4.2
87.00763	0.6
89.02337	21.3
90.02675	0.5
91.00288	0.5
93.03365	0.6
95.01291	1.9
95.04910	1.5
97.02853	1.4
97.06511	1.2
99.00803	0.6
99.04430	2.0
101.02345	12.1
101.64869	0.5
107.04900	0.6
109.02918	0.6
113.02361	7.7
119.03428	8.7
119.04913	0.5
121.06506	4.8
122.03673	0.5
123.08073	2.2
125.02379	0.6
125.05998	2.1
131.03407	1.1
133.02829	0.6
135.04427	1.4
135.08084	0.9
136.05225	1.0
137.09630	0.6
139.07584	2.3
143.03439	1.8
147.08136	1.0
147.11766	2.9
149.04506	0.7
149.05936	0.6
151.07596	17.6
151.11208	2.9
153.09172	0.6
156.09319	0.9
158.07327	0.9
159.08069	1.3
161.02390	1.0
161.04498	2.8
161.05946	1.1
161.09676	0.8
163.03938	0.8
166.01375	0.5
167.07103	4.1
171.11746	1.7
173.06087	0.5
173.09618	3.6
175.07701	0.7
175.11235	1.9
177.05400	0.5
179.05569	7.9
179.07117	4.0
179.10735	0.6
184.08913	7.1
187.07671	1.0
187.11256	4.2
189.09180	1.1
189.12805	9.2
190.13109	0.8
191.10809	0.9
199.11250	6.0
201.09175	5.0
202.09930	3.0
205.05045	0.6
205.12373	1.8
215.10744	3.3
216.11118	0.6
217.12340	38.3
218.12756	2.4
232.11038	0.8
235.13416	8.3
243.10274	1.0
261.11377	2.7
279.12399	1.8
331.06732	0.6
440.65430	1.2
441.17767	100.0
442.18143	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	439.2863
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	0.4
59.83236	0.3
60.38138	0.3
60.99194	0.6
65.83485	0.3
69.90623	0.5
69.91031	1.4
78.95818	0.3
98.20436	0.4
118.24483	0.3
128.71016	0.3
133.02832	0.3
138.36476	0.3
151.11259	1.7
153.12791	3.3
156.05791	0.4
157.00813	0.3
157.06496	0.4
158.07333	4.8
159.07951	0.5
171.13863	0.6
172.08902	0.5
197.11903	2.0
213.16429	0.4
217.15865	0.4
241.16002	100.0
242.16330	11.0
245.15573	1.9
273.15045	4.8
274.15308	0.6
285.15097	0.3
367.30115	0.3
387.78125	0.3
393.27957	0.4
395.29626	40.3
396.29935	6.2
439.28647	2.8
440.28806	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1775
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	0.9
57.03344	8.6
57.36216	0.9
59.01268	7.8
69.03364	1.0
71.01259	6.8
71.07653	3.0
72.99189	2.8
75.00765	1.0
83.01283	1.3
83.04925	1.6
85.02843	4.1
89.02338	3.2
95.01289	1.2
95.04927	3.8
97.02849	8.0
97.06507	2.9
101.02360	2.4
107.04937	2.6
108.82726	1.0
109.02861	8.5
109.06511	7.4
111.04478	5.5
113.02363	5.1
116.24874	0.9
119.03389	2.3
119.04959	1.5
119.08569	2.4
121.06542	5.0
122.03649	12.6
123.04415	3.5
123.08059	1.2
124.05233	17.5
125.02368	1.5
125.06031	6.7
129.27042	1.2
135.04434	4.2
136.05185	1.4
137.06003	10.3
137.09610	2.0
139.07581	100.0
140.07925	4.7
145.06421	1.2
145.10158	1.2
147.08069	3.2
149.06030	2.3
151.03914	2.7
153.05417	1.5
161.02364	2.0
161.04405	1.2
163.07597	2.5
163.11188	1.5
168.07872	24.0
169.08658	6.9
171.08087	2.5
172.08847	1.0
175.11177	1.7
175.53218	1.0
177.12787	2.0
179.03340	1.0
181.58972	1.0
187.11247	16.9
188.11612	1.1
189.05551	1.2
189.09106	2.5
190.09930	3.1
205.12326	28.6
206.12642	1.8
220.01921	1.3
229.12360	2.1
231.10162	2.9
235.13409	7.0
249.11461	5.7
261.11423	2.0
273.11307	4.0
279.12442	70.6
280.12918	6.8
291.12311	1.3
303.12311	6.0
321.13428	2.3
441.17471	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2863
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37707	0.2
55.24846	0.2
60.99171	0.4
62.83562	0.2
65.99502	0.2
69.39593	0.4
69.39996	1.4
71.84078	0.2
78.55668	0.2
87.66280	0.2
98.19822	0.3
106.04159	0.3
117.03372	1.0
119.04923	0.3
145.02896	4.8
145.06497	0.3
146.03197	0.2
151.11206	1.3
153.12794	2.8
154.13159	0.2
156.05775	0.2
157.06482	0.3
158.07315	3.8
159.08002	0.4
164.44931	0.2
171.13843	0.8
172.08928	0.4
173.09610	0.3
186.10538	0.2
197.11795	1.4
213.16507	0.4
217.15981	0.3
225.12933	0.2
241.15999	100.0
242.16339	9.2
243.17592	0.4
245.15511	2.4
255.14027	0.2
259.17136	0.3
273.15039	5.3
274.15390	0.4
287.37692	0.2
291.19559	0.7
338.42938	0.2
366.73029	0.2
371.25735	0.4
393.27808	0.4
394.28369	0.2
395.29633	38.1
396.29977	6.1
439.24661	3.5
439.28934	3.0
440.24844	0.6
440.29843	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.0882
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41126	0.3
69.70567	2.3
69.70890	0.6
78.95797	30.8
86.90900	0.3
96.95936	25.7
96.96864	100.0
117.88744	0.4
125.88958	0.3
188.85143	0.4
194.13596	0.3
226.00487	0.4
302.56769	0.4
316.90668	0.3
387.04385	0.4
439.08621	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	439.1618
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01267	6.3
61.98717	1.0
70.76965	2.1
71.01276	2.3
72.99194	1.4
75.00760	3.8
85.02863	0.9
89.02337	1.7
91.00275	3.7
93.03376	2.9
101.02343	1.5
109.02879	1.1
121.02876	3.5
122.03661	7.9
133.01767	0.9
133.02809	1.3
135.04491	1.0
136.01596	1.3
137.02414	4.1
149.02383	24.0
150.03169	62.6
151.03653	1.4
164.04761	5.0
165.00505	1.5
165.01891	29.7
165.05528	60.4
166.02281	1.6
166.05836	2.3
179.03380	1.2
180.04251	26.7
181.04652	1.9
195.06612	100.0
196.06908	5.9
233.06766	0.9
243.08749	4.4
301.07095	2.2
315.08743	1.2
316.09631	2.5
331.11856	9.5
391.13931	12.6
392.14423	1.7
438.23694	0.9
439.16547	5.9
447.42212	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2526
Annotation	1-Oleoyl Lysophosphatidic Acid (sodium salt)
Peak:m/z	Relative Intensity
62.96278	0.2
70.89011	0.6
78.95793	46.0
82.28565	0.2
96.96861	6.5
150.97954	1.6
152.99524	100.0
153.99867	1.5
171.00587	4.3
175.00299	0.2
242.70007	0.2
281.24841	1.1
377.32938	0.2
435.25250	9.2
436.25620	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1465
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14525	0.4
54.52347	0.4
59.01264	6.6
60.98892	0.8
60.99196	12.8
61.98710	0.5
69.97761	0.6
69.98163	1.4
83.01224	0.4
88.98699	100.0
89.99061	0.6
98.20400	0.5
99.04424	3.4
101.02266	0.4
104.44075	0.4
110.17944	0.5
118.49058	0.4
135.04439	1.9
144.22133	0.4
144.79829	0.4
152.99492	0.6
161.02350	1.1
161.43896	0.4
179.03477	1.1
182.95364	0.5
189.79076	0.4
197.04715	0.4
203.10669	0.5
222.92615	0.6
224.94057	0.8
247.09816	1.2
268.93112	0.9
347.15076	6.4
348.15396	0.6
437.04773	2.1
437.11871	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1593
Annotation	Unknow
Peak:m/z	Relative Intensity
56.78135	0.8
59.01265	100.0
60.01589	1.0
61.98705	1.1
67.78260	0.8
71.01273	10.4
71.59130	1.7
73.02826	4.1
83.01279	1.1
83.02096	0.8
85.02833	4.8
88.74485	0.8
88.98694	7.9
89.02341	2.3
93.61127	0.9
99.00771	1.8
101.02338	6.7
113.02370	5.0
119.03446	1.1
131.98451	0.9
161.04504	3.9
209.82687	1.0
309.81403	0.9
315.18182	11.0
316.18341	1.1
357.19244	3.7
358.19498	1.0
378.27512	0.9
389.28247	0.8
413.83853	1.2
437.12057	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	435.1882
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	100.0
60.23841	1.3
60.71024	1.2
62.64267	1.4
71.01270	16.1
71.58325	1.3
72.99195	2.2
73.02837	5.6
75.00774	1.9
83.01263	1.4
84.00780	1.5
84.95058	1.5
85.02863	2.7
86.02388	2.5
87.00775	3.3
88.98727	2.2
89.02343	19.3
89.52436	1.1
89.84669	1.3
101.02352	15.5
113.02361	5.3
117.92815	1.2
119.03442	14.1
123.04457	1.4
135.04498	2.8
137.02415	2.0
143.03471	1.4
149.04428	1.5
161.04498	7.2
179.05580	2.8
252.34552	1.4
273.07693	3.5
280.61960	1.3
331.17722	38.0
332.17944	2.6
391.19995	7.2
392.20212	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	435.188
Annotation	Unknow
Peak:m/z	Relative Intensity
57.25363	0.5
58.00489	1.2
59.01264	100.0
60.01604	1.6
66.87881	0.5
71.01273	13.6
71.56734	0.6
71.57118	0.6
72.99207	1.5
73.02839	5.1
81.03386	0.6
85.02858	1.6
86.02358	1.3
87.00790	2.0
89.02335	18.8
96.95912	7.1
96.96873	0.9
101.02345	17.7
102.80814	0.6
113.02358	3.8
119.03416	16.0
119.04246	0.9
123.04446	1.4
125.02376	0.8
131.03464	1.0
134.75761	0.5
137.02336	0.9
143.03418	1.5
149.04462	0.7
159.72421	0.7
161.04514	7.2
176.12219	0.7
179.05576	8.6
200.34500	0.7
209.27457	0.7
229.08823	1.6
265.35388	0.6
273.07712	0.9
280.35764	0.6
331.17679	33.5
332.18018	3.0
349.18634	5.7
391.19763	8.0
392.19803	0.6
435.13416	0.9
435.18881	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	435.1305
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01264	2.6
61.98711	0.6
65.03833	0.5
70.93765	0.6
70.94106	0.6
71.01246	0.7
83.01269	0.5
85.02844	0.5
92.30349	0.4
93.03351	1.3
101.05998	1.1
107.04934	48.3
108.02117	0.8
108.05267	2.1
109.02860	1.4
121.02871	20.2
122.03655	32.8
123.03928	0.9
124.01583	2.3
133.02888	1.0
134.03278	0.5
135.04451	2.4
137.02379	4.9
150.03149	3.6
151.03973	2.5
153.01865	0.5
154.02650	4.2
161.02347	2.4
162.02728	0.7
167.03401	0.5
175.04036	0.4
179.03444	0.8
182.02147	3.2
211.07742	0.4
227.07092	0.6
229.08707	72.1
230.09050	6.0
248.83525	0.4
255.06674	1.5
267.05017	0.4
271.10010	0.4
272.07083	0.9
273.07742	46.8
274.08069	4.5
286.92755	0.5
315.08768	1.5
383.61862	1.6
384.12265	0.5
392.62518	1.3
393.12842	0.6
399.86719	0.4
417.66092	0.4
434.65332	3.0
435.13037	100.0
436.13336	12.6
445.74344	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1517
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80178	1.6
58.00480	2.7
58.83312	1.4
59.01266	6.2
59.52478	1.4
71.01271	2.1
71.48125	3.3
87.00793	1.9
101.02335	4.0
113.02359	1.7
114.73870	1.6
121.02892	2.4
138.21703	1.5
149.02383	23.7
150.03177	46.3
151.03618	2.6
161.04485	6.1
162.03210	2.0
163.03857	1.5
164.04752	18.8
165.05525	100.0
166.05902	5.8
170.76540	1.7
180.04308	3.4
195.06618	34.7
196.06966	3.6
288.40518	1.7
327.10922	31.1
328.11227	4.8
357.11807	1.7
361.08630	1.5
442.04660	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1517
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	89.9
69.50444	83.3
71.01262	61.4
82.33235	10.9
89.02329	100.0
101.02336	30.9
102.30281	11.0
103.02090	10.1
113.02350	39.9
119.03445	47.3
143.03429	11.9
143.06445	10.4
145.02837	38.8
161.02376	36.2
161.04504	18.7
162.03107	43.2
165.05574	14.8
177.05536	42.5
179.05527	63.7
180.04231	16.3
191.05603	17.3
195.06543	26.2
228.32866	11.7
357.11893	39.3
375.12927	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	435.1305
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03331	1.6
59.01268	8.7
61.01697	0.6
65.00195	0.7
65.24162	0.6
68.99708	1.0
69.03344	1.7
69.25293	5.5
71.01259	0.9
81.03352	14.7
83.01275	5.9
85.02869	0.7
90.12842	0.6
93.03361	5.9
95.01284	1.3
95.04928	12.3
97.02858	5.5
99.04410	6.7
107.01292	0.8
107.04865	0.8
108.02069	0.7
109.02861	0.8
111.04420	1.8
113.02362	1.1
113.07646	0.6
119.04947	10.3
120.05386	0.6
121.02876	1.4
121.06440	0.6
122.03663	1.2
123.04440	20.8
124.04753	0.8
125.02367	28.6
130.28415	0.6
135.04398	1.6
137.02380	3.9
137.06017	15.1
138.06364	0.9
139.03961	3.4
139.93906	0.6
141.05511	1.2
147.04440	1.9
149.02419	1.0
149.06047	1.2
151.00328	0.6
151.03967	1.7
153.05528	0.7
155.03395	1.3
163.07530	1.1
165.01868	0.9
165.05540	8.4
166.02608	0.7
167.03455	58.2
168.03766	1.8
177.01984	0.5
177.05504	1.3
179.03476	10.9
180.04028	0.9
181.05002	2.5
185.87596	0.6
189.05574	5.6
191.03482	0.8
193.04979	1.4
197.04460	3.7
209.04527	16.4
210.04918	0.7
221.04527	3.4
229.08693	0.9
231.06625	0.9
239.05568	1.3
255.06471	0.8
259.64398	0.6
273.07767	8.7
274.08081	0.7
285.07724	3.0
315.08813	100.0
316.09171	10.4
317.48593	0.6
327.08868	1.6
345.09869	21.4
346.10172	1.2
417.12073	1.3
435.13092	13.0
436.13486	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2603
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	4.5
59.26685	0.2
70.65647	0.5
71.01275	0.3
78.95819	0.8
85.83923	0.3
88.92028	0.2
99.48331	0.2
101.02361	0.2
117.03378	15.5
118.03751	0.7
119.04947	7.2
120.05315	0.4
121.02874	0.9
123.04449	0.3
133.02896	0.4
141.12787	0.3
142.83711	0.2
145.02892	100.0
146.03230	5.2
152.99500	1.6
163.03952	4.9
176.48302	0.2
269.21310	0.4
287.22351	11.1
288.22769	0.9
347.26135	0.3
358.81363	0.2
415.24997	0.7
433.26059	32.9
434.26404	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	434.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	8.1
60.01596	1.0
61.01689	0.5
61.98717	100.0
62.98408	0.2
71.01276	0.5
71.57961	0.1
71.58376	0.2
72.01603	0.2
73.02843	0.3
85.02864	0.2
89.02353	0.4
101.02380	0.4
103.02784	0.1
113.02319	0.2
119.03368	0.2
139.14897	0.1
145.95691	0.1
151.00346	0.1
163.04965	0.1
168.57689	0.1
245.41483	0.1
257.80536	0.1
297.56558	0.1
301.03391	0.2
302.04416	0.1
320.32523	0.2
332.18167	0.2
333.19391	0.2
374.21793	0.6
411.69174	0.1
434.24323	0.2
456.71378	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	435.1095
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83758	0.5
59.01266	14.9
59.54699	0.5
60.01601	1.6
61.01692	1.0
61.98706	1.4
65.03850	0.6
69.33318	4.2
69.33743	1.8
71.01282	0.8
73.02862	0.8
85.02870	0.6
89.56401	0.5
93.03359	9.9
95.01283	0.8
95.04925	1.2
98.20582	1.2
101.02338	1.0
103.05431	0.6
107.04923	6.9
108.02088	0.8
108.36848	0.6
109.02865	16.0
111.70013	0.6
117.03379	2.2
119.04951	2.0
121.02883	4.3
122.03681	5.8
123.04440	15.6
124.01590	0.8
124.04768	0.7
125.02327	1.3
133.02864	3.0
135.00844	0.7
137.02354	1.4
145.02876	6.6
147.04453	4.2
149.02356	1.1
150.03175	2.0
151.03976	7.3
155.26550	0.5
159.04475	2.3
161.02425	2.0
161.06062	0.5
163.03963	1.3
174.60341	0.6
176.01128	1.4
177.01901	22.0
178.02242	1.1
182.02232	1.3
187.03960	2.3
188.04813	0.6
189.01900	48.3
190.02646	13.5
191.03471	11.3
192.03900	0.7
195.49501	0.6
203.03514	5.7
211.07610	0.9
216.00644	8.4
217.01416	33.7
218.02046	3.8
219.02997	13.0
220.03148	1.1
227.07195	1.4
229.08720	9.7
230.08969	0.6
231.02988	10.6
232.03633	2.0
233.04608	1.3
241.05069	1.5
255.06622	1.4
264.85049	0.6
269.04584	0.8
271.06277	3.0
272.06787	0.7
273.07748	8.0
274.07999	0.7
276.20569	0.6
281.04648	1.6
283.06116	2.3
289.07306	5.2
290.52045	0.6
297.07758	2.3
311.05725	4.5
323.05576	1.7
341.06735	100.0
342.07074	11.7
375.19131	0.7
427.23166	0.6
435.10919	46.4
436.11325	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	433.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	4.1
61.98719	5.9
70.96320	0.3
70.96646	0.5
78.95812	0.9
99.86807	0.3
117.03373	16.1
118.03688	0.5
118.89892	5.2
119.04945	25.7
119.89863	0.7
120.05278	1.2
120.89597	0.6
121.02876	1.8
123.04465	0.5
133.02927	0.4
145.02890	100.0
146.03232	5.4
152.99533	1.8
163.03960	19.6
164.04306	0.7
269.21274	1.4
270.21640	0.3
287.22348	7.6
288.22696	0.7
331.17816	0.3
415.25089	0.7
433.26062	44.3
434.05988	3.3
434.26407	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	433.2602
Annotation	Iriomoteolide 3a
Peak:m/z	Relative Intensity
52.16107	0.4
52.68283	0.5
52.75170	0.3
59.01268	4.9
61.49929	0.4
62.18920	0.4
65.03843	0.9
70.40344	0.4
71.49259	0.8
78.95793	52.7
81.03378	0.6
83.04920	2.2
93.03359	18.0
93.64159	0.3
94.03659	0.7
95.01292	0.4
96.96862	5.8
98.20496	0.4
110.25473	0.4
111.04431	5.0
117.03353	1.2
124.32363	0.4
132.02100	0.5
133.02881	12.3
134.03633	1.7
135.04446	5.3
137.02377	14.0
138.02652	0.6
150.98004	1.4
152.99529	100.0
153.99844	1.3
155.03433	16.8
156.03799	0.5
161.02388	62.6
162.02707	2.9
163.54909	0.4
171.00604	4.2
179.03511	1.2
225.22340	0.4
236.69522	0.4
271.22845	6.4
272.23352	0.6
277.21802	3.2
279.23434	0.9
314.00531	0.4
331.18369	0.5
415.24771	1.9
430.03775	0.5
433.26212	30.8
434.26602	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	433.2607
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	8.1
61.98710	1.2
71.58092	0.6
78.95809	1.5
93.03352	0.4
94.51554	0.4
94.57847	0.4
96.95897	0.6
107.76819	0.4
112.15372	0.4
117.03384	16.2
118.03701	0.8
118.89901	9.6
119.04951	26.3
120.05257	0.8
121.02865	2.0
123.04459	0.5
123.13850	0.4
128.09070	0.4
135.90218	0.9
145.02898	100.0
146.03220	5.0
150.88817	0.5
152.99545	3.9
156.82751	0.4
163.03970	19.1
164.04298	1.0
171.00629	0.4
186.95572	0.7
269.21301	1.7
281.94128	1.1
287.22357	8.6
288.22818	0.6
415.25183	0.5
432.82236	0.4
433.13702	0.8
433.26047	39.4
434.06006	6.8
434.26431	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	433.2606
Annotation	Iriomoteolide 3a
Peak:m/z	Relative Intensity
59.01272	2.2
61.98711	1.8
70.88013	0.3
70.88361	0.5
76.36099	0.2
78.95776	0.5
91.92789	0.2
93.03369	0.3
117.03383	14.3
118.03712	0.6
118.89896	2.1
119.04948	26.6
120.05270	1.1
120.89568	0.3
121.02876	2.0
123.04424	0.3
127.07641	0.2
133.02858	0.4
136.17004	0.2
141.12752	0.3
145.02890	100.0
146.03230	4.9
152.99509	1.0
163.03963	20.1
164.04271	1.0
192.87221	0.2
269.21225	2.0
285.20764	0.4
287.22366	8.8
288.22717	0.7
317.66940	0.2
415.25055	0.5
433.26053	47.4
434.06360	1.1
434.26401	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	433.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03644	0.1
59.01266	100.0
59.57710	0.2
60.01599	1.1
62.36261	0.1
69.44051	1.4
71.01273	2.2
71.31411	0.2
72.99207	0.2
73.02863	0.5
83.01311	0.2
85.02857	0.4
86.31139	0.1
87.21554	0.1
89.02343	2.9
100.16859	0.2
101.02351	1.0
104.22626	0.1
107.01288	0.3
113.02371	1.1
119.03410	1.1
125.14804	0.2
143.03435	0.2
151.00356	0.5
161.04526	0.9
178.99887	0.2
179.05609	1.0
197.36234	0.1
217.17613	0.1
237.97191	0.2
243.03152	0.3
255.03061	0.8
256.03485	0.2
271.02536	1.6
272.03134	0.3
300.02859	2.3
301.03613	2.4
301.06970	0.2
302.04019	0.2
331.17673	1.5
340.03363	0.2
373.18387	0.7
373.22620	0.6
433.08026	1.3
433.24652	0.4
434.08554	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01768	0.4
59.01265	100.0
60.01595	1.4
63.55595	0.3
71.01274	4.3
71.05863	0.7
72.99226	0.4
73.02842	1.9
75.00771	0.3
80.47676	0.3
83.01284	0.8
85.02859	1.2
87.00752	0.3
89.02341	1.7
101.02351	4.2
104.74281	0.3
109.26002	0.3
113.02351	2.5
119.03452	0.9
119.04935	0.4
125.02508	0.4
129.31059	0.3
140.40250	0.3
149.06049	0.8
151.00349	0.8
161.04494	3.0
179.05646	0.5
224.06833	0.3
271.06165	1.6
313.16766	0.8
331.17651	4.6
332.17850	0.4
346.42700	0.3
370.46558	0.3
373.18729	2.6
373.22601	4.3
374.23010	0.4
433.24731	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2369
Annotation	LPA(0:0/18:2(9Z,12Z))
Peak:m/z	Relative Intensity
50.22577	0.2
52.04841	0.2
53.24166	0.2
62.96268	0.2
69.90714	1.1
77.98806	0.2
78.38975	0.2
78.95794	50.0
96.96865	6.6
98.20454	0.3
124.11864	0.2
150.97949	1.8
152.99524	100.0
153.99829	1.7
171.00594	4.5
195.40175	0.2
279.23343	1.0
433.23654	8.3
434.24142	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.209
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03332	0.4
59.01265	100.0
60.01600	1.2
61.98735	0.3
70.87514	0.5
71.01270	7.2
72.99205	0.4
73.02843	2.0
83.01294	0.8
85.02837	2.7
87.00773	0.3
87.04415	0.9
89.02339	3.9
90.02602	0.2
90.80117	0.2
95.01299	0.5
95.15098	0.2
99.00792	0.6
101.02350	5.6
101.03010	0.3
101.06013	0.4
112.37283	0.2
113.02363	3.1
119.03422	1.4
120.82042	0.2
125.02379	0.6
137.02409	0.5
143.03479	0.6
149.05984	0.3
151.91667	0.2
153.05487	0.2
154.02786	0.3
159.02951	0.4
161.04485	2.7
163.28549	0.2
166.02721	0.3
169.12311	0.2
179.05632	0.7
180.45044	0.2
181.05092	0.4
188.88460	0.2
197.11876	0.8
203.05544	0.3
209.11830	0.2
209.15459	0.3
211.06017	0.2
231.92099	0.2
253.14526	0.8
271.02682	0.2
271.19220	0.4
276.05032	0.2
297.05667	0.2
300.02908	0.3
313.16656	2.6
331.17691	11.6
332.18164	0.9
334.31088	0.2
373.18661	4.7
374.19089	0.4
402.34070	0.2
402.47928	0.3
433.15671	0.3
433.24313	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	433.2088
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	100.0
60.01604	1.0
69.45196	2.5
71.01270	3.7
73.02831	3.9
80.01152	0.3
83.01278	1.5
83.69622	0.3
85.02854	1.3
89.02331	1.7
95.12199	0.3
101.02341	5.7
107.01313	0.4
113.02362	1.5
119.03444	1.1
119.04971	0.7
131.03403	0.4
133.69615	0.3
143.03436	0.4
149.04630	0.6
149.06017	10.0
150.06364	0.6
151.00262	1.4
159.23265	0.3
161.04488	2.7
179.05634	0.3
203.05621	0.3
217.66833	0.3
221.06560	0.3
271.06238	2.4
313.16907	0.3
331.17743	2.6
353.12595	0.8
373.18448	2.2
373.22577	0.9
374.19009	0.5
433.11554	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2089
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52647	0.3
59.01266	100.0
60.01606	0.9
69.22208	2.4
69.22632	1.5
71.01275	2.1
73.02844	3.5
83.01279	0.6
85.02839	0.6
87.00784	0.4
89.02345	1.7
93.03369	0.9
93.65709	0.3
98.19762	0.6
101.02367	2.5
103.95341	0.3
113.02394	1.1
113.55212	0.4
119.03411	0.8
121.02843	0.4
125.02434	0.4
152.99513	0.3
161.04507	3.6
165.05731	0.3
180.73239	0.3
227.54245	0.3
271.09775	2.9
319.95700	0.3
331.17706	13.5
332.18182	1.3
373.18747	4.2
374.19110	0.4
395.28674	0.4
433.15802	1.6
433.25388	0.5
433.32047	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2089
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01768	0.6
56.10643	0.5
58.67011	0.5
59.01266	100.0
60.01608	1.2
62.07491	0.4
69.64541	1.4
69.64955	2.2
71.01274	7.4
73.02840	10.2
83.01292	1.6
85.02852	1.4
87.00759	1.1
89.02338	4.7
96.95918	1.2
97.02951	0.5
101.02339	8.3
102.65708	0.4
113.02389	1.5
114.29466	0.5
116.15262	0.5
119.03439	3.9
119.04923	0.8
120.05424	0.5
131.54395	0.5
138.08168	0.5
149.04556	0.8
161.04512	10.9
193.01387	0.9
262.55524	0.5
271.14682	0.5
313.07404	1.5
331.17691	32.0
332.18079	2.4
373.18811	8.1
374.19101	1.3
396.92410	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2297
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01780	0.4
57.03341	0.3
58.00475	0.5
59.01265	100.0
60.01596	1.5
61.98717	1.6
69.41452	2.0
71.01271	8.9
72.99216	0.3
73.02837	1.8
83.01289	0.9
85.02854	2.3
87.00783	0.7
89.02336	7.6
95.01312	0.7
99.00793	0.7
101.02346	6.8
113.02361	3.8
114.02769	0.2
119.00586	0.2
119.03420	4.1
125.02379	0.3
130.68434	0.2
131.03397	0.4
143.03461	0.9
149.04539	0.5
151.00299	0.2
159.02982	0.4
161.04510	4.0
179.05551	2.4
179.06712	0.2
185.06001	0.3
191.14510	0.2
209.26555	0.2
211.04054	0.3
223.13417	0.5
227.03500	4.8
228.03947	0.5
229.04980	1.2
255.03023	7.4
256.03592	0.9
257.04642	0.7
268.12717	0.4
269.13217	0.4
284.03339	6.7
285.04080	10.5
286.04395	1.2
292.90347	0.2
299.15204	0.6
329.16129	0.3
371.20856	6.8
372.20944	1.0
431.09906	5.3
431.18729	0.3
432.10428	1.0
432.15671	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2449
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01264	11.9
63.15226	0.4
71.01259	1.0
71.58622	0.5
71.59001	0.5
73.02834	0.4
78.95808	2.0
82.21185	0.4
83.08189	0.3
85.02840	0.6
91.86868	0.4
101.02364	0.7
117.03373	15.6
117.04202	0.8
118.03707	0.8
119.04942	28.7
120.05269	1.4
121.02871	2.4
145.02887	100.0
146.03212	4.9
152.99544	3.8
161.04497	0.6
163.03946	19.2
164.04326	0.5
189.92899	0.5
227.82596	0.4
267.19745	2.0
285.20761	9.0
286.21133	1.0
293.49307	0.4
298.73096	0.4
324.64398	0.4
361.12592	0.5
371.20776	1.2
413.23264	0.5
431.24472	35.5
432.24921	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1069
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01264	23.5
61.98716	1.5
71.01269	3.3
73.02833	1.8
73.90014	0.8
78.95802	1.2
78.98715	0.9
85.02843	2.0
87.00827	0.8
89.02326	1.1
93.03350	0.9
96.96870	1.0
97.02847	0.9
101.02346	2.1
113.02420	0.9
117.03365	9.3
119.04946	64.9
120.05280	3.8
121.02850	2.5
145.02885	37.3
146.03229	1.4
152.99509	3.4
159.08087	1.0
161.04463	1.7
163.03957	72.7
164.04282	4.0
187.31561	1.0
228.12875	0.8
233.08221	5.8
251.09285	2.8
331.17740	2.2
397.13000	100.0
398.13312	15.1
433.28085	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	431.1569
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03311	1.5
58.00472	1.7
59.01265	100.0
68.61648	1.0
69.03329	1.7
71.01271	34.9
71.59205	1.4
72.16781	1.3
72.99191	4.0
73.02840	27.7
74.52400	1.1
75.00731	1.4
78.95794	1.4
82.83168	1.1
83.01272	11.6
85.02843	12.0
87.00791	2.9
88.98705	3.2
89.02338	22.1
89.02855	1.0
95.01274	2.1
96.95885	3.1
99.00748	3.5
101.02346	50.0
102.02676	2.2
113.02353	13.7
119.03416	12.5
119.04930	3.3
121.02867	1.4
124.01584	3.6
125.02361	19.6
131.03416	1.3
134.03694	8.7
135.04480	2.1
137.02385	1.8
143.03429	3.7
149.04564	2.5
149.06018	14.9
149.99530	7.1
150.03210	1.9
151.00328	1.7
151.04018	1.4
152.01111	1.2
153.36507	1.3
161.04488	13.0
168.00587	17.7
169.01315	3.7
179.05592	4.1
221.06459	1.3
255.05275	1.4
269.04529	1.4
269.10406	10.6
311.11411	3.4
329.12494	27.1
330.12796	3.3
371.13547	8.5
371.20761	1.6
431.11200	25.4
431.16522	4.9
432.12012	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2213
Annotation	PA(18:3(9Z,12Z,15Z)/0:0)
Peak:m/z	Relative Intensity
62.96288	0.2
69.23536	2.2
69.23946	0.7
70.27254	0.2
76.27486	0.2
78.95795	46.1
80.94784	0.3
96.96268	0.4
96.96864	5.3
132.06117	0.2
150.97954	1.2
152.99529	100.0
153.99821	1.4
171.00598	4.5
177.02049	0.2
190.19542	0.2
265.40720	0.2
277.21848	0.5
289.78683	0.2
380.42117	0.2
431.22079	6.5
432.22552	1.1
451.76501	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2235
Annotation	Usambarensine
Peak:m/z	Relative Intensity
59.01260	1.6
67.43207	0.2
72.36778	0.2
78.95796	1.0
83.44073	0.2
93.03360	11.4
94.03679	0.4
103.79478	0.2
119.04945	100.0
120.05271	4.3
143.04945	0.2
145.02917	0.7
152.99532	1.8
157.88457	0.3
183.04543	0.2
233.09760	0.2
238.13170	0.2
269.04059	0.2
277.08713	4.5
277.20731	0.2
278.09134	0.6
294.23621	0.3
299.16635	0.8
340.98538	0.2
431.22351	48.6
432.22678	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	431.1566
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32858	0.7
55.01767	1.5
55.21402	0.8
55.37219	0.7
57.03317	2.3
58.00476	3.5
59.01264	100.0
60.01604	1.5
60.10059	0.8
69.74533	5.7
71.01269	69.4
72.01608	1.3
72.99200	5.5
73.02833	5.6
83.01272	5.6
84.71282	0.8
84.76600	0.7
85.02843	16.4
86.02380	0.8
87.00756	5.7
88.98729	0.8
89.02334	77.0
89.67088	0.8
90.02660	1.4
93.03335	1.5
95.01286	2.9
98.20524	1.4
99.00778	5.0
100.11602	0.8
101.02344	41.5
113.02357	26.8
116.86346	0.8
119.03432	26.7
119.04933	35.3
120.03786	1.1
120.05293	2.0
125.02354	1.9
131.03424	18.2
132.03862	0.8
137.02402	3.7
137.06020	7.0
143.03404	4.2
149.04488	12.8
161.04491	6.5
174.64352	0.8
179.05569	9.5
191.05577	20.8
209.08264	1.5
233.06674	10.5
252.81935	0.9
299.11417	60.9
300.11761	5.2
311.86508	0.8
431.15665	59.5
432.16116	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.0992
Annotation	Kaempferol-3-Rhamnoside
Peak:m/z	Relative Intensity
53.21330	0.4
59.01266	36.8
70.60354	0.9
71.62342	0.3
73.02839	0.6
83.01247	0.4
85.02827	1.0
89.02349	2.1
93.03342	0.3
99.04429	0.9
101.02354	1.5
107.01225	0.4
113.02347	1.2
119.03391	1.2
137.02403	0.8
138.01814	0.4
147.19302	0.4
147.97365	0.3
148.61086	0.3
149.06012	2.4
151.00284	1.4
151.03979	0.8
161.02348	0.5
161.04539	0.8
162.31047	0.3
174.03178	0.4
178.99799	0.4
183.04382	0.9
191.02585	0.4
207.13840	0.7
211.03976	1.4
227.03502	64.9
228.03824	5.3
229.05087	0.9
239.03548	1.0
251.12936	3.4
255.03023	83.1
256.03574	12.1
257.04352	0.6
281.06665	1.2
284.03323	73.0
285.03940	17.7
286.04407	0.6
327.05026	0.7
351.33817	0.5
371.20837	1.2
431.09912	100.0
432.10266	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	431.1568
Annotation	Osmanthuside H
Peak:m/z	Relative Intensity
53.00512	1.1
57.03333	1.7
58.00489	2.7
59.01264	100.0
71.01269	62.5
71.39442	1.9
71.39781	1.5
72.99203	4.3
73.02841	5.3
83.01285	5.1
85.02843	13.0
87.00768	5.3
88.98721	1.2
89.02334	63.3
89.17899	1.2
93.03339	2.2
95.01289	4.2
99.00787	4.3
101.02346	35.8
102.02758	1.1
113.02365	22.7
119.03428	27.9
119.04929	29.2
120.05305	1.5
131.03423	13.4
137.02351	4.2
137.06018	7.8
143.03456	5.0
149.04507	15.4
151.96712	1.4
156.18138	1.2
161.04492	6.1
179.05533	12.5
191.05603	23.7
209.08165	2.0
233.06689	13.7
234.06900	1.5
269.10214	1.7
299.11429	78.9
300.11868	5.6
431.15671	73.7
432.16019	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1566
Annotation	Zizybeoside I
Peak:m/z	Relative Intensity
55.01765	6.0
57.03336	4.7
58.00476	3.0
59.01263	65.1
60.01585	1.0
61.71153	0.7
61.98707	1.3
68.99704	0.9
69.03316	1.0
71.01268	100.0
71.59821	0.9
72.01616	1.5
72.99204	5.1
73.02832	31.2
75.00774	2.4
80.91575	2.4
81.03321	1.4
83.01269	17.1
84.02055	0.8
85.02840	43.9
85.99973	0.8
86.03212	1.3
87.00322	0.8
87.00761	5.8
89.02337	22.3
95.01277	7.9
97.02855	3.4
99.00776	13.8
101.02342	75.1
101.39898	0.7
102.02699	2.0
111.00813	1.5
112.01582	1.3
113.02356	43.4
114.02695	1.4
119.03421	9.0
121.02808	1.1
122.42102	0.7
125.02380	4.9
129.01849	1.7
131.03424	2.0
135.04381	0.9
137.05978	1.2
143.03409	5.1
149.04442	0.7
150.03104	2.0
151.04013	1.9
159.02927	7.9
161.02382	1.5
161.04497	40.6
162.04852	1.6
165.05508	2.0
177.05482	1.0
179.03494	2.4
179.05612	2.9
194.05794	1.1
203.07129	1.1
205.03543	2.1
209.08183	1.8
221.06650	2.4
246.47365	0.9
269.10349	50.9
270.10843	3.6
313.49521	0.7
329.12555	2.1
431.15689	73.4
432.10651	1.3
432.16061	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	431.1569
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01785	0.8
57.03357	1.1
58.00482	1.8
59.01266	100.0
61.98720	3.3
64.45364	0.6
65.80378	0.6
67.46870	0.7
69.64432	3.4
69.64846	1.5
70.35023	0.6
71.01273	34.0
72.45174	0.7
72.99207	2.2
73.02839	9.9
75.77254	0.6
83.01290	2.7
85.02843	9.5
86.93676	0.6
87.00799	1.5
89.02338	38.0
95.01292	3.3
98.19758	1.0
99.00780	42.3
101.02348	16.8
113.02359	19.7
113.03155	0.7
119.03452	9.5
119.04938	16.3
119.05737	1.1
120.05262	1.1
125.02376	0.9
131.03436	5.1
137.02367	0.8
137.06046	3.7
143.03448	1.5
149.04512	12.1
161.02417	1.6
161.04517	5.9
176.04764	1.2
179.03413	3.4
179.05614	1.4
191.05603	11.3
191.07173	1.3
194.05833	3.1
208.42122	0.7
209.08185	6.2
209.09879	0.8
233.06668	2.2
247.42450	0.7
269.10449	0.8
299.11432	8.9
431.15656	44.2
432.16074	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	430.1151
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	2.9
61.98718	100.0
62.98438	0.3
70.71478	0.3
71.01279	0.2
78.06347	0.2
89.02342	0.3
96.95919	1.3
96.96903	0.2
107.95702	0.2
119.04961	0.4
145.02934	0.4
161.02429	0.3
163.03914	0.9
167.94733	0.2
193.67764	0.2
281.24979	0.2
331.15668	0.2
332.16098	0.5
333.16226	0.2
367.11996	0.2
377.78036	0.2
430.12280	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.0993
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	0.8
57.03331	1.2
58.00478	0.5
59.01266	100.0
60.01617	1.4
65.00195	0.5
69.07622	0.4
69.87566	2.7
71.01270	17.4
72.99225	0.7
73.02839	4.0
83.01279	3.0
85.02853	6.5
87.00800	0.7
89.02343	10.0
93.03362	1.6
95.01312	1.5
97.02889	0.7
97.81829	0.4
98.19842	0.5
99.00799	2.0
101.02351	12.8
107.01319	1.8
108.02093	0.4
109.02869	0.7
113.02359	7.1
119.03412	3.9
125.02370	0.6
129.01845	0.4
131.03450	1.0
132.02113	0.7
135.00835	0.9
137.02344	0.5
143.03453	1.7
143.04977	1.1
149.04529	0.7
151.00323	1.3
154.63431	0.4
157.06606	0.5
159.02950	1.4
159.04347	0.8
161.02420	0.5
161.04494	8.2
163.00314	1.2
164.01118	0.6
167.04970	0.7
171.04495	0.6
179.05540	3.0
183.04538	1.2
185.06097	1.8
187.03918	2.7
188.04623	0.5
189.05521	0.7
197.06081	0.9
199.03943	0.9
205.03618	0.6
211.03870	2.4
213.05580	1.8
221.61833	0.5
225.13879	0.5
227.03511	37.7
228.03908	3.7
229.05069	8.7
230.05298	0.6
239.03520	1.3
240.04190	0.6
241.05006	1.0
255.03032	58.3
256.03616	7.8
257.04581	5.7
267.02960	0.9
269.13766	1.5
284.03323	53.0
285.04099	92.4
286.04446	9.0
299.15094	18.5
300.15381	1.1
371.20865	5.8
431.09933	57.4
431.18494	7.8
432.10294	6.4
432.19070	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2865
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25268	0.3
59.01265	100.0
60.01599	1.2
61.98777	0.3
68.99487	0.4
70.11073	1.6
71.01277	0.6
89.02338	0.9
91.32450	0.3
95.60561	0.4
98.20453	0.6
107.04935	0.4
135.04497	0.6
279.79282	0.4
411.22159	0.6
412.58221	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2867
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98215	0.3
59.01265	100.0
60.01594	0.9
69.42002	1.5
69.42432	1.5
75.16319	0.3
78.95814	0.8
89.02369	0.5
91.03905	2.6
113.26806	0.3
130.55064	0.4
152.99518	2.0
195.13947	1.2
277.17502	0.3
277.21866	1.2
295.22849	14.1
296.23264	1.3
313.87082	0.3
375.61786	0.3
423.49692	0.3
429.22461	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2867
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98215	0.3
59.01265	100.0
60.01594	0.9
69.42002	1.5
69.42432	1.5
75.16319	0.3
78.95814	0.8
89.02369	0.5
91.03905	2.6
113.26806	0.3
130.55064	0.4
152.99518	2.0
195.13947	1.2
277.17502	0.3
277.21866	1.2
295.22849	14.1
296.23264	1.3
313.87082	0.3
375.61786	0.3
423.49692	0.3
429.22461	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2865
Annotation	Unknow
Peak:m/z	Relative Intensity
57.41225	0.3
59.01265	100.0
60.01612	1.0
71.01276	1.0
71.21608	0.5
71.21936	0.3
78.95791	0.3
89.02354	1.0
113.02396	0.3
135.04443	0.9
145.02922	0.3
251.71591	0.3
293.50223	0.3
301.20895	0.3
411.22086	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2142
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26961	0.2
55.01774	1.3
57.03340	2.2
58.00469	0.4
59.01267	100.0
60.01610	1.2
68.99694	0.4
69.03331	0.5
71.01273	25.1
71.04875	0.2
72.01616	0.3
72.99200	1.2
73.02840	8.3
73.03252	0.5
75.00780	0.7
81.03383	0.3
83.01286	3.7
85.02845	11.2
85.99976	0.3
87.00768	1.7
88.19096	0.2
89.02345	5.1
89.67093	0.3
95.01279	1.8
97.02875	0.9
98.02395	0.2
99.00783	3.1
99.04443	0.6
101.02350	17.3
102.02713	0.4
103.00251	0.3
109.02900	0.3
111.00852	0.5
112.01656	0.3
113.02364	10.0
117.05503	0.8
117.60248	0.2
117.97229	0.6
119.03432	2.3
121.02865	0.3
123.04460	0.9
125.02390	0.9
129.01904	0.6
131.03468	0.5
135.04437	0.5
137.09637	1.7
139.99300	1.8
143.03403	1.1
147.04503	0.5
149.06090	0.9
152.01178	0.4
159.02989	1.7
161.02527	0.4
161.04506	8.8
162.04878	0.4
163.06151	0.6
163.11290	0.3
165.09201	0.6
166.02707	0.4
167.03459	2.6
179.05597	0.5
179.10730	0.4
180.02441	1.7
181.03265	7.8
181.04871	0.5
182.03531	0.4
189.12805	1.8
191.10709	0.2
195.04900	0.8
195.13907	0.3
196.99171	0.2
197.15611	0.3
203.05702	0.4
205.03598	0.5
205.07150	1.2
207.13966	0.5
209.04553	1.4
223.04449	0.8
225.14978	4.0
226.15286	0.3
269.06842	0.4
279.11041	0.7
343.08621	4.1
344.09409	0.4
369.19260	8.2
369.23630	0.5
370.19550	1.1
387.20331	27.1
388.20462	3.6
429.08765	0.8
429.14343	2.9
429.21628	3.9
429.26678	0.4
430.22409	0.5
434.13147	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2137
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00486	0.8
59.01267	100.0
60.01613	1.2
61.98734	0.2
64.95105	0.2
70.99479	0.2
71.01276	12.1
72.01614	0.3
72.79156	0.2
72.99207	0.8
73.02506	0.2
73.02842	1.4
83.01299	1.0
85.02857	2.8
87.00785	0.8
89.02341	16.9
90.02702	0.2
93.03349	1.2
95.01321	1.0
97.02853	0.4
101.02356	8.1
103.03934	0.5
113.02364	5.2
119.03427	7.6
121.02875	5.9
122.03714	0.5
123.04436	0.6
125.02377	1.1
131.03453	0.9
135.04514	0.6
137.09671	2.4
143.03458	1.7
147.08092	1.2
149.04572	0.8
151.03963	0.4
161.04507	3.0
163.06084	0.8
165.09256	0.3
167.03455	0.5
179.05594	5.0
179.07166	0.3
223.13380	0.4
229.33121	0.3
258.04929	0.2
267.12466	0.4
307.10574	0.8
327.14713	0.5
369.15427	0.4
429.14636	0.5
429.21240	0.4
430.12219	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1777
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65845	0.6
56.04948	0.6
57.03343	2.9
58.00486	0.7
59.01265	100.0
60.01606	1.2
67.70010	0.6
71.01271	14.2
71.04916	0.8
72.99207	0.8
73.02839	3.1
79.31228	0.6
82.09238	0.6
83.01295	2.5
83.04943	1.1
85.02859	3.6
87.00768	5.1
88.47741	0.6
89.02334	10.3
95.01271	0.7
97.06515	1.3
99.00797	0.7
100.22637	0.6
101.02355	6.9
107.04939	4.3
113.02353	6.2
119.03444	2.5
120.05728	1.2
128.62500	0.7
131.31467	0.7
135.04463	2.2
135.05489	0.7
143.03447	1.0
153.57167	0.6
161.04512	7.8
161.09668	8.2
161.13249	4.0
163.11327	2.3
179.05638	2.1
187.11256	9.0
188.11684	1.0
189.09265	2.7
189.12802	0.8
203.10786	0.7
205.12350	3.3
207.10362	2.2
210.70811	0.7
213.74992	0.6
223.13400	39.7
224.13821	2.4
229.12410	1.1
249.11496	2.2
267.12439	59.4
268.12738	4.6
286.13910	0.7
309.13513	1.8
369.15625	1.7
384.12943	0.8
429.17514	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	429.1959
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01256	1.0
71.01281	0.3
83.48898	0.2
96.55096	0.3
99.92480	5.4
100.93259	2.8
115.91987	100.0
116.91990	5.4
116.92781	5.7
117.92766	0.3
130.94417	0.3
132.92300	1.0
145.02864	0.7
155.95140	0.3
172.95428	6.5
173.95425	0.4
230.71159	0.3
255.23364	0.7
327.38281	0.3
355.15939	0.9
356.16156	0.3
371.15100	0.4
381.17502	1.0
411.18652	0.5
429.19632	6.3
429.29807	1.6
430.19879	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1775
Annotation	Unknow
Peak:m/z	Relative Intensity
55.12590	0.9
55.43887	0.8
57.03328	1.7
58.00484	3.1
59.01267	100.0
60.01620	0.9
61.74561	0.7
70.62442	0.9
71.01273	32.7
71.46735	0.8
71.57124	1.3
72.99203	3.1
73.02840	5.3
83.01273	2.5
84.75549	0.8
85.02847	6.9
87.00756	4.0
89.02341	41.7
93.03358	0.8
93.07018	0.8
95.01287	2.4
99.00797	1.0
99.04445	5.3
101.02352	21.9
104.50736	0.8
105.65756	0.8
107.04893	1.9
111.04478	0.8
113.01613	1.5
113.02355	14.5
116.92768	7.7
117.01858	3.2
119.03423	16.6
131.03423	1.4
135.04462	2.1
143.03442	3.1
144.35265	0.8
147.08144	2.0
148.05865	0.9
149.04616	1.8
149.06030	2.5
151.38908	0.8
161.02490	1.3
161.04494	4.8
161.09628	1.1
161.13306	10.7
165.09145	4.4
179.05554	8.0
187.11279	3.0
205.12325	28.1
206.12605	2.6
207.10194	0.9
219.84103	0.8
223.13394	9.5
224.13823	0.9
247.13202	1.0
249.11368	29.2
249.89827	0.9
250.11681	1.8
267.12427	9.0
268.09933	1.3
297.13312	1.6
309.13635	0.8
327.14639	2.5
369.15567	3.1
379.64670	0.9
385.18677	1.4
429.17566	12.5
429.45160	1.1
430.18027	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1775
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03342	1.7
58.00474	1.0
59.01266	100.0
60.01588	1.0
69.25004	7.9
71.01270	15.6
71.04934	0.9
72.99225	1.1
73.02849	2.0
81.03358	0.6
83.01289	2.4
85.02844	3.9
87.00773	5.0
89.02338	12.1
90.00584	0.6
95.01290	1.4
97.02855	0.9
97.06493	3.5
98.19814	1.3
99.00801	0.7
101.02360	8.1
107.04945	8.1
113.02354	7.8
119.03439	4.6
120.05723	2.5
120.09422	0.6
125.02402	0.8
131.03439	0.8
132.46846	0.6
135.04457	4.3
143.03450	1.0
146.07384	0.7
153.01892	1.6
159.08029	1.2
159.11728	0.7
161.04463	3.3
161.09671	10.7
161.13283	5.1
163.11313	2.2
165.09221	1.3
179.05573	1.1
181.03239	1.4
187.11264	13.9
188.11642	1.4
189.09213	5.1
203.10815	2.0
205.12366	4.6
207.10237	3.6
223.13406	58.6
224.13812	4.2
229.12416	1.5
231.10359	1.2
249.11369	6.1
250.11484	0.7
251.04333	0.6
267.12439	70.2
268.12744	6.0
291.12369	1.1
309.13675	2.3
327.14496	5.2
343.08820	1.7
369.15659	3.0
369.19632	1.4
387.20532	0.8
429.17426	6.5
430.18158	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	429.1773
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00917	0.3
59.01266	100.0
60.01593	0.8
63.69503	0.3
71.01266	3.6
71.59827	0.6
73.02840	3.6
85.02848	1.1
87.00774	0.5
89.02358	1.2
96.36050	0.3
101.02351	2.3
113.02380	0.9
116.69160	0.4
118.22047	0.3
118.97930	0.3
119.03471	0.6
135.04465	0.4
161.02415	0.8
161.04512	3.9
191.05644	0.3
210.77501	0.3
221.88899	0.3
238.98482	0.3
266.06128	0.3
327.14569	9.1
328.15063	0.8
339.28214	0.3
369.15417	1.5
411.57593	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1775
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01777	1.3
55.37983	1.2
56.28264	1.0
57.03332	2.1
58.00480	3.0
59.01266	100.0
69.32318	11.3
70.01965	1.1
71.01271	48.5
72.99187	3.5
73.02832	4.0
78.95782	1.6
81.06989	1.6
83.01260	3.5
83.02393	2.8
85.02840	7.4
87.00766	4.4
89.02333	54.0
95.01302	2.8
97.02837	1.3
99.00780	1.8
99.04414	5.2
101.02350	25.9
107.04911	1.1
111.04414	1.4
113.02355	20.0
116.92767	6.3
117.01824	1.6
119.03415	26.8
120.03771	1.4
125.02369	1.7
131.03447	3.0
135.04436	3.0
135.94781	1.0
139.01530	1.1
143.03407	4.9
147.08058	2.9
149.04411	1.5
149.06035	2.5
161.02354	1.3
161.04460	5.5
161.13309	21.7
165.09180	2.2
179.05574	10.0
187.11316	5.5
194.28319	1.3
205.12326	43.5
206.12651	3.9
223.13432	7.8
249.11359	58.7
250.11809	5.5
267.12390	6.2
309.13443	2.4
336.44873	1.1
339.14484	1.8
351.52225	1.1
369.15555	5.7
429.11844	1.9
429.17618	24.7
429.23178	1.9
430.18042	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	429.1774
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91706	0.4
57.77014	0.4
59.01264	100.0
59.97020	0.4
60.01610	0.5
61.98722	0.7
70.62330	0.4
71.01261	5.5
71.59973	0.6
71.60350	0.4
72.99194	0.6
73.02835	2.6
74.31956	0.4
83.01279	1.1
85.02829	2.5
87.00771	0.8
89.02332	2.5
93.03369	0.6
95.01292	0.5
95.26980	0.5
98.49252	0.4
99.00756	0.6
101.02346	2.5
113.02343	2.7
119.03411	1.1
125.02374	0.5
132.66518	0.4
135.04477	1.6
137.02394	1.1
143.03514	0.6
147.08118	0.5
157.01781	0.4
160.59673	0.4
161.02406	1.0
161.04524	1.1
165.09151	9.8
165.10434	0.6
166.09520	0.5
191.05666	0.4
226.74335	0.5
272.76541	0.4
309.13550	5.9
310.14017	0.8
315.14304	0.5
327.14572	4.6
328.14984	0.6
336.24588	0.5
369.15472	4.1
385.09958	0.8
429.14142	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	429.154
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	8.5
66.48225	0.4
69.38916	0.4
69.53706	2.0
69.54131	0.7
71.01266	2.6
73.02854	0.4
80.91571	2.6
85.02839	1.7
89.02338	2.4
96.95911	0.6
97.06481	2.3
98.19723	0.7
101.02335	0.6
102.21333	0.4
107.04921	0.5
113.02354	0.5
119.04990	0.4
121.02873	0.4
125.02374	0.6
125.31033	0.3
133.02878	4.7
134.03680	2.5
135.04453	27.4
136.04732	1.1
137.02385	1.8
139.03951	0.6
149.04495	0.5
150.03264	0.4
151.00301	1.2
161.02386	25.9
162.02739	0.9
163.03937	0.4
175.02451	1.5
177.05321	0.4
178.02682	1.6
179.03459	16.2
180.03712	0.6
192.67499	0.3
201.00430	1.0
215.01929	1.0
217.03564	1.0
219.01485	1.2
243.01526	1.4
261.02679	2.3
288.92407	0.4
293.08786	0.6
320.00253	0.4
347.15067	100.0
348.11102	0.7
348.15369	11.2
429.14066	8.2
429.25256	0.4
430.07858	0.5
430.13986	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1412
Annotation	Bungeiside C
Peak:m/z	Relative Intensity
55.01773	1.4
57.03325	1.6
58.00480	3.0
59.01264	61.9
60.01601	1.1
60.99244	0.3
61.98709	0.7
68.99697	0.4
69.03345	7.1
71.01270	86.5
72.01605	1.6
72.99191	4.5
73.02836	7.2
75.00765	0.6
81.03350	4.9
83.01270	5.4
85.02841	12.6
87.00774	3.0
89.02336	85.1
90.02682	0.7
93.03360	0.8
95.01288	2.8
97.02853	10.8
99.00774	2.6
101.02345	16.6
106.04146	4.4
107.04938	32.0
108.02069	1.3
108.05299	1.0
111.00764	0.6
113.02355	12.1
119.03404	3.3
121.02944	0.4
123.04446	3.4
125.02369	32.3
126.02697	1.1
127.03900	0.5
131.03421	21.0
132.03748	0.6
134.03665	1.1
134.13066	0.4
135.04448	100.0
136.04778	4.5
138.03073	0.4
139.03906	1.4
143.03412	2.8
149.04495	26.7
150.04774	0.7
154.05293	0.4
161.04445	0.8
172.06146	0.4
191.05591	11.0
233.06662	8.2
243.60127	0.4
293.08835	28.2
294.09171	2.0
307.61066	0.4
429.14417	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.122
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80505	0.3
53.01241	0.4
59.01266	6.5
61.98707	1.2
71.01280	0.6
71.59247	0.6
71.59621	0.5
78.71235	0.5
78.95794	2.1
79.95624	2.0
89.02328	0.6
95.87619	0.4
96.95911	100.0
96.96897	3.1
97.95873	0.6
101.02330	0.5
118.63486	0.4
121.02897	0.5
133.02892	1.7
135.04439	7.8
143.42790	0.4
145.02899	0.7
161.02386	10.2
162.02719	0.5
169.12236	0.5
179.03488	0.9
188.98677	1.6
191.00244	7.1
203.97441	1.1
205.98946	5.2
216.98216	3.3
222.99257	3.3
230.99725	5.1
231.96841	0.8
233.01363	6.6
234.01727	0.5
234.99269	7.0
235.99643	0.7
237.97987	1.3
248.97247	3.5
249.97888	1.0
258.99265	4.2
265.00330	0.7
277.00357	39.7
278.00644	2.7
278.98257	0.6
292.61777	0.4
331.15582	22.9
332.15930	3.0
393.13455	0.7
429.12350	30.8
430.12698	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	429.1222
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52536	0.3
54.46442	0.3
59.01268	4.7
61.98707	1.4
64.87788	0.4
71.01289	0.4
71.44058	0.7
78.95794	3.1
79.95644	2.8
89.02334	0.7
96.95917	100.0
96.96812	5.8
101.02328	0.5
122.23649	0.3
133.02879	1.2
135.04442	1.9
151.11232	0.8
161.02400	10.8
162.02774	0.5
179.03476	1.3
188.98714	0.8
191.00227	4.2
203.97377	1.0
205.98973	1.9
216.98227	2.3
222.99243	1.1
230.99690	1.8
231.97076	0.4
233.01311	2.7
234.99309	3.3
237.98087	0.7
248.97220	1.8
249.98056	0.5
258.99323	2.1
277.00369	25.8
278.00711	1.7
331.15591	24.8
332.15915	2.8
414.59949	0.3
429.12378	9.4
430.12646	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1222
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01267	4.5
69.60423	2.7
71.01276	0.8
78.95795	4.9
79.95617	2.0
89.02339	0.6
96.95915	100.0
96.96816	7.7
113.02377	0.6
133.02888	1.4
134.03705	0.5
135.04492	1.7
137.02396	0.6
161.02396	10.8
177.01987	0.4
178.02742	0.4
179.03450	0.6
188.98666	1.5
191.00246	1.6
203.97504	0.6
203.99260	0.4
205.99005	0.7
212.67955	0.3
216.98201	10.5
217.98532	0.4
230.99760	3.1
231.96867	1.0
233.01379	1.3
234.99210	1.6
242.99791	0.7
248.97185	0.8
258.99289	6.2
259.99509	0.4
260.97162	0.7
267.09311	2.0
277.00421	4.5
278.00583	0.5
331.15579	28.4
332.16043	3.1
347.14963	0.4
369.10529	0.4
406.92737	0.4
420.13879	0.4
429.12375	25.6
430.12720	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	427.271
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19370	0.4
59.01265	100.0
60.01598	0.9
69.52657	2.9
71.01292	0.3
72.95523	0.3
86.78538	0.3
89.02322	0.5
100.76366	0.5
119.04980	1.0
127.70552	0.4
133.06526	0.4
136.86440	0.4
145.02863	0.9
148.05185	0.7
163.03987	0.7
163.07681	0.5
187.07584	0.4
192.99582	1.7
201.09056	0.4
231.10246	0.6
274.77930	0.4
293.21265	2.0
314.15652	0.4
322.99863	0.4
330.14780	0.9
331.64850	0.4
347.13217	3.7
348.14056	0.5
427.09058	1.3
427.14658	0.8
427.21497	5.0
428.21860	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2711
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	100.0
60.01607	0.8
65.69970	0.3
71.57766	0.5
71.58102	0.3
117.03402	0.3
119.04970	0.9
120.12816	0.3
120.91319	0.2
121.21019	0.3
125.02425	0.4
139.11034	0.3
145.02945	0.9
163.03984	0.6
187.07646	0.3
192.99759	0.3
229.08736	0.5
247.03450	0.3
347.13339	0.6
427.14511	0.8
427.21582	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	429.1215
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12447	0.4
57.72360	0.5
59.01266	9.9
59.04336	0.4
59.37347	0.4
61.84789	0.5
71.01276	0.7
71.57949	0.5
78.95796	7.8
79.95615	2.5
86.99846	0.5
89.02333	1.0
92.41523	0.5
92.80685	0.5
96.95915	100.0
96.96836	17.2
97.95834	0.6
106.85641	0.5
121.02840	0.5
133.02870	1.6
134.03664	1.4
135.04448	8.0
137.02348	1.4
145.02904	1.0
161.02388	8.8
161.04468	0.7
162.02809	0.6
168.46284	0.5
178.02615	0.6
179.03464	7.2
188.98621	1.8
191.00253	8.7
192.00638	0.5
203.97406	1.4
205.98965	4.9
216.98184	4.7
222.99330	3.7
230.99826	3.6
231.96793	0.6
233.01332	7.5
234.99297	9.0
237.98055	1.2
248.97166	4.6
249.97913	1.6
258.99255	4.6
265.00320	0.8
277.00342	28.3
278.00699	1.9
278.98303	0.6
308.12784	0.5
331.15573	52.5
332.15891	5.8
347.15082	1.0
429.12347	33.6
430.12732	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	427.2719
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26720	0.8
59.01265	100.0
60.01603	0.9
61.98726	1.0
71.01262	3.1
71.58369	1.2
89.02350	1.0
91.03891	3.1
91.36217	0.6
94.94958	0.6
105.17100	0.7
113.92992	0.7
117.03362	0.9
119.04955	1.8
145.02934	2.1
159.33992	0.6
163.03973	1.2
163.07733	0.7
171.10272	0.9
187.07675	1.3
215.07034	1.5
229.08751	1.0
257.08279	1.3
275.20422	1.1
290.97339	1.1
293.21326	11.7
294.21613	1.5
311.22391	7.3
344.94611	1.2
383.18729	1.4
427.14246	1.1
427.15457	1.2
427.21353	8.1
427.26682	0.8
428.21878	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.162
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09770	1.6
57.03328	2.3
59.00996	2.9
59.01268	42.1
60.32545	1.6
61.98708	5.5
71.01266	7.4
71.15472	4.4
73.02837	3.4
78.54134	1.8
85.02853	8.6
89.02325	3.1
96.36118	1.9
99.00742	2.2
99.79739	1.7
101.02354	6.6
106.30435	1.7
108.11143	1.7
113.02357	2.4
119.27335	2.0
121.02898	2.1
129.01784	2.3
133.06544	2.8
134.06049	4.7
135.04413	4.1
135.06378	2.8
141.36754	2.1
148.04073	3.8
148.05240	77.0
149.05765	3.9
161.02385	4.4
161.04550	3.4
163.07593	100.0
164.07982	4.4
179.10753	4.3
180.06549	4.9
181.06937	3.0
187.19742	1.9
188.07191	1.9
203.05496	2.9
203.10623	2.7
219.13942	2.9
223.13445	5.4
248.76343	2.2
255.03119	1.9
291.08710	2.9
300.26352	2.1
427.19629	48.3
428.19766	4.0
435.68954	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	427.2136
Annotation	3-O-Angeloylsenecioodontol
Peak:m/z	Relative Intensity
53.44027	0.9
58.26144	0.7
59.01268	5.8
61.98714	12.8
68.99706	9.8
71.01272	1.4
71.57979	1.7
78.95801	2.6
80.21800	0.7
81.38091	1.0
89.02310	0.8
94.97993	1.3
96.95924	2.6
110.98418	2.0
117.03379	3.8
119.04970	4.0
124.12395	0.9
132.05713	2.6
135.04381	1.2
145.02872	6.0
148.05220	2.1
151.11281	0.9
158.03699	1.1
159.04492	3.9
161.02423	1.8
163.03943	3.1
163.07610	1.3
172.05244	6.8
173.06047	7.0
174.03134	1.4
175.04031	0.8
183.04518	2.3
187.04025	11.0
187.07622	54.4
188.07988	3.4
189.05560	4.3
196.05164	0.8
199.03952	2.4
199.17014	5.5
200.04749	6.2
201.05580	7.8
201.09215	1.9
202.06201	2.6
203.03574	1.1
203.10738	1.7
204.04240	1.5
211.07585	1.1
213.09158	7.1
215.07147	21.8
216.07928	4.1
227.03545	4.1
228.04382	4.6
229.04727	0.8
229.08720	6.4
231.06657	12.6
231.10283	3.7
239.12979	3.9
245.04768	1.2
257.08255	36.9
258.08630	2.5
331.15485	1.5
355.15634	1.9
383.18723	32.6
384.19067	3.9
398.17230	1.7
427.21353	100.0
428.21704	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	427.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
54.68791	0.3
59.01263	1.8
61.00243	0.2
61.98711	0.7
70.80717	0.6
70.81087	0.5
71.01270	0.9
73.02840	0.5
81.03405	0.3
83.04930	0.4
83.79477	0.3
85.02876	0.3
87.04401	0.4
93.03337	1.4
97.02836	0.4
97.84133	0.3
111.94774	0.3
117.03378	28.0
118.03709	1.1
119.04942	66.2
120.05270	3.0
121.02869	2.2
123.04474	0.5
127.03886	0.5
143.04865	0.5
145.02887	100.0
146.03226	4.6
148.05180	0.4
159.08118	1.3
160.06895	0.2
162.03023	0.3
163.03954	57.0
164.04286	2.9
164.71478	0.3
171.08162	0.5
189.05602	0.3
189.09187	0.8
204.22946	0.3
219.10268	0.4
248.36351	0.3
263.09286	24.4
264.09628	2.1
281.10373	1.6
290.57242	0.3
307.08356	0.9
427.14038	68.7
428.14423	9.4
428.20410	0.3
454.79572	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1619
Annotation	Furcatin
Peak:m/z	Relative Intensity
55.01769	1.2
57.03333	0.8
58.00481	0.5
59.01266	7.5
68.99712	0.2
69.03347	0.3
71.01271	24.3
72.01611	0.5
72.99202	0.6
73.02838	9.5
75.00748	0.4
77.01375	0.1
83.01271	2.2
85.02843	9.1
86.03179	0.2
87.00768	0.9
89.02336	4.5
95.01289	1.8
95.04922	0.2
97.02857	0.7
98.20565	0.4
99.00784	9.7
101.02348	13.0
102.02702	0.2
106.04146	0.3
111.00737	0.2
113.02355	10.5
114.02672	0.3
119.03432	0.2
122.65638	0.2
123.04427	0.8
125.02393	0.8
128.80569	0.1
129.01884	0.3
131.03452	0.9
131.04976	1.0
132.05736	2.1
133.06522	100.0
134.06853	5.0
143.03442	2.0
157.70091	0.2
159.02951	2.7
161.04503	26.1
162.04865	0.9
171.86951	0.1
191.05620	1.4
203.05681	0.2
205.03539	0.5
217.08786	0.2
293.08893	0.8
295.11926	4.1
296.12259	0.5
325.14319	0.1
330.97470	0.2
427.16162	33.4
428.16489	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	427.1617
Annotation	Rosarin
Peak:m/z	Relative Intensity
50.46401	0.4
55.01770	2.5
57.03328	1.9
58.00486	1.0
58.66021	0.4
59.01264	21.5
60.04758	0.4
61.22800	0.4
64.99750	0.4
69.03327	2.0
71.01271	43.9
72.99207	1.6
73.02837	80.2
74.03184	1.1
75.00767	0.6
83.01273	6.5
85.02841	14.0
86.03161	0.4
86.75028	0.4
87.00773	4.3
89.02343	5.8
95.01281	0.8
97.02854	4.5
98.19769	1.0
99.00776	6.0
101.02349	64.8
102.02702	1.2
106.04188	0.7
111.00786	3.6
113.02357	4.6
115.03913	2.3
118.93153	0.4
123.04443	1.4
125.02372	9.6
128.01117	0.6
131.03429	10.3
131.04919	2.0
132.05728	3.9
133.06520	100.0
134.06879	4.1
143.03442	9.7
149.06035	0.4
161.04506	13.5
173.04506	3.4
191.05629	4.1
203.05551	1.1
215.05702	1.9
229.67560	0.4
233.06676	34.3
234.07140	1.4
260.76282	0.4
261.99274	0.4
293.08850	80.1
294.09161	4.8
371.15643	0.4
427.16537	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1408
Annotation	Unknow
Peak:m/z	Relative Intensity
56.42031	0.4
59.01260	2.7
71.01258	0.7
71.59136	0.4
73.02860	0.6
78.95776	0.4
79.88506	0.3
83.01292	0.5
87.04411	0.4
88.24471	0.3
89.02348	0.3
93.03353	2.9
99.04453	0.3
113.05978	0.4
117.03379	28.5
118.03706	1.3
119.04943	78.1
119.37766	0.3
120.05293	3.2
120.99569	1.2
121.02870	1.9
123.04449	0.7
127.03896	0.3
132.05756	0.3
133.02847	0.8
133.06509	0.6
135.04472	0.6
137.02357	1.8
143.04951	0.8
145.02887	100.0
145.06516	2.1
146.03215	5.2
147.04430	0.5
148.05231	0.8
159.08095	0.6
160.05153	0.4
161.02397	1.2
161.06027	0.6
163.03955	52.9
164.04286	2.4
173.05948	0.4
189.09242	0.7
219.10098	0.4
232.17802	0.4
234.42627	0.3
254.30530	0.4
263.09283	23.4
264.09613	1.8
281.10309	2.0
285.04126	4.7
286.04349	0.6
307.08191	2.5
325.02100	1.1
332.59698	0.3
340.00888	0.5
345.13391	0.9
367.03152	2.8
368.03595	0.5
427.14035	60.5
428.14374	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	425.204
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03334	0.9
59.01270	12.0
61.61881	0.5
61.70921	0.6
61.98729	4.0
69.41984	5.2
71.01272	7.6
72.99190	1.9
73.02829	3.0
75.00766	100.0
75.97196	0.5
76.01103	1.0
83.01301	1.3
85.02859	3.1
87.00798	1.5
89.02334	4.4
96.24551	0.7
98.20532	1.0
99.00759	1.2
100.00313	1.8
101.02368	7.1
113.02347	3.2
119.03415	1.1
129.81525	0.5
132.29332	0.5
138.18198	0.6
143.03534	0.8
144.02965	3.4
151.33856	0.5
159.03023	0.7
161.04454	3.5
166.23700	0.6
203.12889	1.1
293.16156	3.0
321.15668	3.3
347.17267	0.7
365.18201	9.0
366.18646	1.1
397.11169	0.6
425.20520	5.5
426.20721	0.9
443.28354	0.6
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	Unknow
Peak:m/z	Relative Intensity
59.01262	1.2
69.71574	0.6
69.72010	0.6
71.01265	0.4
73.02851	0.6
80.78722	0.2
83.01271	0.4
83.04906	0.2
85.02857	0.3
87.04384	0.4
93.03353	2.1
95.04900	0.5
97.02828	0.2
104.59559	0.2
113.06014	0.5
117.03375	28.6
118.03662	1.1
119.04942	78.7
120.05271	3.6
121.02866	1.7
123.04423	0.2
127.03902	0.2
132.20448	0.2
133.06499	0.3
134.03624	0.2
135.04495	0.2
143.04903	0.5
145.02885	100.0
145.06531	1.7
146.03224	4.7
146.07222	0.2
147.08029	0.2
159.08107	0.7
160.05272	0.3
161.06006	0.5
163.03954	49.3
164.04305	2.5
171.08041	0.3
174.06833	0.3
175.07582	0.2
186.06865	0.3
189.05556	0.5
189.09187	1.0
219.10289	0.6
263.09286	20.6
264.09552	1.6
281.10403	1.7
307.08267	2.3
308.08572	0.2
314.90137	0.2
427.14041	63.8
428.14407	9.8
428.20343	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1676
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00491	0.6
59.01264	20.9
61.98732	2.9
69.03326	0.6
69.26393	5.0
71.01272	15.7
72.01578	0.6
72.99191	0.7
73.02837	7.6
75.00779	0.9
83.01250	1.0
85.02835	2.1
85.06480	8.9
89.02340	20.6
95.01302	0.8
99.00779	17.4
100.01137	0.6
101.02342	9.3
105.74203	0.4
113.02339	2.3
113.05963	0.9
115.07507	1.0
119.03375	1.3
125.02404	1.0
127.07552	0.7
131.03429	2.7
131.07065	31.5
132.07370	1.1
137.02383	0.6
149.04485	4.4
161.04471	2.7
179.05589	0.7
191.05588	4.3
191.89311	0.5
203.05576	0.6
226.89465	0.6
241.96655	0.6
278.32455	0.5
293.12549	1.4
296.46155	0.5
365.18256	5.8
366.18829	0.7
425.16739	100.0
426.17068	10.2
436.97458	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1829
Annotation	Abscisic acid glucose ester
Peak:m/z	Relative Intensity
52.08912	1.1
53.05655	1.1
55.01768	1.4
57.03349	2.0
59.01263	7.0
63.94147	0.9
65.03872	1.3
71.01263	8.4
71.57793	1.2
71.58187	1.9
75.00758	2.0
78.95747	1.6
83.04924	2.3
85.02840	3.2
93.03355	1.6
95.01306	1.4
95.04941	2.2
97.02868	8.9
99.36328	1.3
101.02383	1.9
105.07021	2.6
107.04942	3.9
108.05717	6.4
109.02874	6.9
109.06498	3.0
111.04421	7.4
111.08061	1.2
113.02345	6.7
113.05997	9.0
119.03458	1.7
119.04958	11.1
119.08575	2.9
121.06509	1.9
122.03656	5.8
123.04410	1.7
123.07092	1.1
123.08072	5.5
125.06013	15.3
135.04439	2.6
135.08047	1.7
136.05240	9.5
137.05986	4.1
138.06796	10.8
139.07599	28.6
145.06639	1.4
148.05244	4.5
149.06070	2.7
151.04047	1.3
151.07596	59.0
152.04726	5.3
152.08389	25.1
153.05478	1.1
153.09186	12.4
153.58267	1.1
159.11739	2.4
161.02417	3.3
161.09674	5.9
163.03957	9.3
163.07603	6.1
165.09218	1.2
167.07071	3.7
168.16713	1.1
189.05563	3.3
189.09247	3.2
191.52402	1.2
201.12831	21.8
202.13306	1.9
203.10756	11.7
204.11549	31.8
205.11917	1.5
219.13918	50.8
220.14262	3.5
227.10741	2.2
228.11588	2.4
243.13934	6.6
245.11844	14.1
246.12181	1.2
263.12946	100.0
264.13297	9.4
287.12967	10.3
305.14008	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	423.1883
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11702	0.6
55.01770	1.2
58.00484	2.0
59.01263	27.9
66.00935	0.7
70.79018	0.6
71.01263	17.1
71.59756	1.2
72.99213	1.5
73.02833	82.3
74.03184	2.1
75.00763	3.5
75.33289	0.6
85.02836	3.4
87.00761	1.0
89.02335	13.0
95.01283	1.1
97.46705	0.6
101.02345	7.6
113.02360	4.7
117.01850	1.5
119.03432	3.7
125.09624	12.0
125.10523	0.8
126.10010	0.9
143.03485	0.7
149.02361	1.2
150.03168	1.1
161.04526	0.7
165.05501	1.1
169.08630	8.1
179.03323	0.9
179.05592	1.3
181.12317	4.2
199.13373	22.5
200.13661	0.9
225.11317	2.8
243.12393	100.0
244.12712	7.6
261.13535	1.3
270.02231	0.7
274.35800	0.7
349.15341	0.8
423.18781	58.3
424.19031	6.7
437.00513	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1881
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52678	0.8
51.58807	0.7
55.01762	1.1
59.01266	100.0
60.28408	0.6
60.82482	0.9
61.98731	2.3
69.24331	8.5
71.01267	13.6
72.99176	3.6
73.02845	2.5
75.00767	23.1
83.01314	1.2
85.02854	4.7
87.00777	1.2
87.04395	0.9
89.02342	6.2
92.65495	0.8
95.01286	1.6
99.00783	1.9
101.02360	12.2
101.13808	0.8
106.03043	0.6
109.10103	0.6
113.02341	5.6
119.03458	2.1
131.03441	0.8
135.04480	0.8
137.02376	1.5
143.03426	0.8
150.02031	1.6
150.03189	5.6
152.05396	0.7
159.02896	0.8
161.04485	9.3
165.01918	3.2
165.09230	1.1
179.03580	2.6
179.05505	1.1
180.03004	2.6
180.04298	2.0
181.08731	0.7
183.10147	1.0
185.09808	0.7
195.06584	3.4
201.11378	2.6
225.07697	4.1
286.57883	0.9
297.86624	0.7
307.37430	0.8
345.10333	1.6
360.09406	33.4
361.09790	3.5
363.16714	14.9
363.21042	1.4
364.16956	1.2
375.14572	9.6
376.14941	1.1
394.55054	0.8
423.18948	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	421.2812
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89336	0.6
56.06382	0.6
59.01266	100.0
59.13852	0.7
60.01616	0.9
62.83747	0.6
67.57781	0.6
71.58873	0.9
71.59280	0.9
75.00766	1.2
78.95797	1.0
88.24599	0.6
91.03914	4.3
92.38469	0.8
93.03350	0.7
96.95923	1.2
108.92109	0.7
133.34460	0.6
135.04524	1.1
137.02328	0.9
161.02408	1.1
265.28537	0.7
266.33130	0.8
287.22339	16.3
288.22763	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1673
Annotation	(-)-Ixerin B
Peak:m/z	Relative Intensity
52.29859	0.5
57.03339	28.9
59.01263	40.7
59.32027	0.5
69.03346	0.6
69.64751	3.5
69.65157	0.7
70.26305	0.5
70.63622	0.6
71.01286	1.1
81.03351	0.7
83.04917	1.1
84.78359	0.6
85.02840	0.8
95.04942	1.7
97.02859	5.1
97.08063	0.7
98.19792	0.9
99.04415	20.1
101.02353	7.3
107.04939	1.6
109.02860	3.1
109.06503	3.8
111.04425	3.3
121.06525	2.1
122.03659	7.0
123.04434	1.0
123.08065	0.6
123.09316	0.6
124.05233	14.5
125.02383	1.1
125.06036	4.3
133.02884	0.7
133.06514	5.1
135.04465	2.5
135.08098	0.9
137.06015	9.0
137.06985	1.0
139.07578	100.0
140.07906	3.5
147.08078	2.4
148.05186	0.9
149.06053	1.3
151.07574	0.6
152.35120	0.6
161.02408	1.2
161.04491	7.4
163.07581	1.4
163.11212	0.7
168.07875	18.5
169.08661	11.8
170.09044	1.1
171.08159	0.8
175.11191	1.0
177.12837	1.0
179.03366	0.7
181.08649	3.9
187.11270	9.9
190.09961	2.5
202.09975	0.9
205.12325	21.9
206.12686	2.0
210.08873	0.8
211.09761	4.1
217.12315	1.6
221.11812	2.0
231.10339	1.0
235.13393	5.5
249.11360	8.4
250.11948	0.8
251.12946	1.3
261.11325	0.8
277.16617	0.7
279.12439	83.8
280.12790	7.6
313.64938	0.6
320.45700	0.6
321.13544	2.3
348.71161	0.6
361.16519	1.1
410.78546	0.7
423.16663	9.0
424.16898	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1797
Annotation	Kenusanone A
Peak:m/z	Relative Intensity
59.01265	73.0
61.98714	10.1
64.57022	5.0
71.01274	40.4
71.31287	9.2
71.31630	5.5
72.99190	5.4
73.02840	14.5
75.00756	9.0
83.01259	5.4
85.02847	8.7
87.00793	7.3
89.02339	17.8
101.02339	31.4
107.04824	4.7
111.00751	4.6
113.02357	14.1
119.03443	7.1
121.02843	8.3
125.02362	4.2
125.09637	12.1
133.02879	26.0
135.04410	12.0
139.03983	7.5
143.03487	6.8
149.02406	21.6
150.03102	21.2
151.03886	6.9
161.02425	27.2
161.04460	12.1
177.01886	43.2
178.02251	4.6
179.03479	10.7
187.09692	7.8
203.03516	4.8
266.20941	4.5
363.16544	6.7
422.61252	65.2
423.11469	24.3
423.18088	100.0
423.61505	14.0
424.18365	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	421.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01258	1.3
59.98309	0.7
60.99191	12.6
71.58218	1.1
88.98701	100.0
89.99062	0.6
99.94118	0.7
109.10979	0.7
121.02932	1.2
126.82603	0.8
140.68605	0.7
141.78831	0.8
149.51511	0.7
160.50737	0.7
222.92464	1.9
224.94095	1.1
239.97577	0.7
250.92055	1.1
259.02005	1.4
268.93237	1.7
331.15683	2.5
421.05298	6.0
421.28046	1.2
422.05368	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.151
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	2.5
60.99189	12.5
70.65701	1.4
70.66075	1.5
88.98700	100.0
138.82472	0.7
141.12808	0.7
222.92642	1.0
224.74634	0.6
224.94084	5.3
224.95982	0.8
268.93198	4.3
421.05222	8.1
422.05255	1.2
433.69611	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1517
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29460	1.2
56.79840	1.1
59.01262	4.9
60.43843	1.0
60.99193	15.6
61.42112	1.0
63.36691	1.2
63.84346	1.3
71.57914	1.2
84.66249	1.2
88.98701	100.0
98.17360	1.3
101.85212	1.0
107.01218	1.1
195.70520	1.1
224.94116	8.5
268.93069	8.1
322.23877	1.2
421.05151	14.1
422.05231	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	421.0765
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	1.4
62.22504	0.2
67.01769	0.5
69.03337	0.3
71.01273	1.4
71.57287	0.3
72.99192	0.5
73.02854	0.6
78.91768	0.3
78.95793	1.0
81.03349	0.4
83.04865	0.2
85.02844	11.6
87.00766	3.1
93.03367	4.3
95.73865	0.2
96.95898	0.7
96.96841	0.4
97.02834	0.3
99.00787	0.5
99.04392	0.4
109.02877	1.3
111.00803	0.4
111.04451	1.3
115.00217	0.3
125.02368	0.7
127.03945	2.8
128.14511	0.3
137.02354	0.5
139.00291	0.4
143.03471	0.4
153.01900	0.4
155.03383	0.3
169.01416	0.3
169.97569	0.2
171.02969	2.1
173.04518	1.4
189.04039	1.1
191.05585	100.0
192.05927	4.3
230.06607	0.5
267.45297	0.2
323.09732	0.3
408.07541	0.3
421.07651	15.3
422.08011	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1517
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93399	0.4
56.00178	0.5
59.01258	2.3
60.28011	0.5
60.99190	12.1
70.46402	1.2
70.46796	1.0
75.72991	0.5
88.98698	100.0
89.99007	1.0
161.02335	0.7
177.48085	0.5
179.94569	0.5
199.07458	0.5
222.92621	1.0
224.94157	1.6
250.92023	0.8
259.01953	1.9
268.93082	1.2
314.48581	0.6
331.15637	0.8
421.05206	6.4
422.05444	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1512
Annotation	Unknow
Peak:m/z	Relative Intensity
57.63643	1.2
59.01260	4.4
60.99200	13.9
71.57067	2.0
78.95786	1.6
88.98701	100.0
103.37243	1.5
212.71246	1.4
241.95224	1.4
268.93250	1.5
327.75375	1.6
421.05051	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	417.2656
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	0.6
60.77573	0.2
70.45931	0.8
98.20512	0.3
100.65121	0.2
108.45574	0.2
109.20285	0.2
117.03377	15.8
118.03695	0.6
119.04944	7.4
120.05231	0.4
121.02882	0.7
123.04461	0.4
145.02887	100.0
146.03226	5.1
163.03949	5.0
164.04350	0.3
170.23122	0.2
197.98907	0.2
202.06418	0.2
225.22234	0.7
253.34119	0.2
271.22842	8.0
272.23254	1.0
331.26440	0.4
399.25409	1.5
417.26550	33.9
418.21307	0.3
418.26913	6.2
443.35269	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1356
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25861	1.5
59.01270	5.7
60.99188	14.0
61.98717	2.0
71.57119	2.5
72.74590	1.3
79.10295	1.4
88.98701	100.0
114.51786	1.6
161.02377	1.5
162.51065	1.6
224.94095	5.8
268.93146	5.8
329.13998	2.4
419.03604	8.4
420.04294	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	419.136
Annotation	Monnieraside I
Peak:m/z	Relative Intensity
59.01271	9.7
68.99693	1.2
71.01279	10.2
71.58326	1.2
73.02835	3.3
81.03331	1.4
83.01285	2.2
85.02843	4.3
87.00787	2.6
89.02351	1.9
93.03365	32.1
95.01287	1.8
96.99236	1.6
99.00797	1.6
101.02357	8.0
106.04165	2.3
107.04951	2.4
108.02083	2.3
113.02347	4.0
115.79238	1.1
119.04935	6.4
121.02881	2.5
135.04463	2.5
136.01602	2.9
137.02385	57.2
137.06018	100.0
138.02673	1.7
138.06364	3.4
147.04408	1.4
151.03899	2.1
161.02385	2.5
161.04518	1.7
168.91382	1.0
179.03549	1.4
221.04578	1.3
257.11957	1.6
281.06744	62.6
282.07120	4.6
321.71429	1.2
419.13589	71.9
420.13968	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	419.1569
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00490	5.6
59.01265	100.0
63.70594	2.9
64.22473	3.2
69.75902	19.8
71.01267	60.8
72.99200	8.4
85.02845	11.7
87.00791	8.2
89.02340	78.6
92.17832	3.5
95.01316	4.9
101.02341	29.3
113.02355	20.9
119.03407	37.5
131.03375	5.1
143.03418	5.6
146.03711	16.2
149.04654	3.3
161.04570	7.6
161.05992	8.7
164.04733	16.5
172.42282	4.0
179.05563	22.1
179.07104	67.1
182.05830	6.5
191.05592	14.0
197.08124	7.8
323.42172	3.6
359.13535	23.3
435.40741	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	417.2504
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01768	1.4
57.03331	1.5
58.00482	4.5
59.01263	100.0
59.84836	0.4
60.01601	1.3
64.62726	0.4
71.01268	70.9
71.58971	0.6
71.59381	0.7
72.01608	1.1
72.99199	6.9
73.02832	2.3
75.00757	0.4
83.01280	3.2
84.02048	0.3
85.02844	12.1
87.00755	3.7
89.02336	87.3
90.02679	1.6
95.01283	4.9
99.00783	1.2
101.02345	43.9
102.02674	1.1
107.16407	0.4
113.02354	28.6
114.02690	0.9
119.03416	42.8
120.03756	1.1
123.68236	0.5
125.02380	0.8
131.03412	4.3
133.02905	2.1
134.03664	0.6
135.04454	1.5
143.03441	6.6
144.03877	0.4
149.04494	3.6
150.03111	0.8
161.02422	4.9
161.04491	6.9
162.02756	0.9
166.02609	0.6
179.03773	0.6
179.05569	14.2
209.04361	0.4
407.65714	0.5
416.66068	5.3
417.16061	1.1
417.25159	17.8
418.25446	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	417.2505
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01772	1.6
57.03331	1.5
58.00488	5.2
59.01266	100.0
60.01606	1.3
61.98727	0.4
69.03333	0.4
71.01270	73.3
71.56544	0.5
72.01598	1.0
72.99201	6.6
73.02837	2.3
75.00768	1.0
83.01285	2.8
84.04669	0.3
85.02847	13.0
87.00778	4.4
88.66389	0.4
89.02339	94.6
90.02669	1.4
95.01289	4.5
99.00779	0.7
99.04449	0.5
101.02348	46.2
102.02699	1.1
113.02358	28.7
114.02714	0.7
114.22322	0.4
119.03419	45.2
120.03787	0.9
125.02378	1.2
126.66371	0.4
131.03410	4.7
133.02872	1.4
135.04459	1.4
143.03439	7.9
144.03691	0.5
149.04510	4.0
150.03181	0.7
155.16603	0.4
161.02426	3.0
161.04509	8.8
162.02780	1.0
179.05574	16.4
180.05937	0.8
181.05045	0.5
206.63719	0.4
263.50366	0.4
307.23773	0.4
334.59183	0.7
416.66095	4.5
417.16125	2.7
417.25150	19.4
417.66165	0.5
418.25232	2.5
432.62225	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2655
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34992	0.2
53.90594	0.2
55.84266	0.2
59.01280	0.4
70.70288	0.4
79.11819	0.1
80.87859	0.2
94.20867	0.2
117.03379	16.4
118.03726	0.6
119.04939	7.3
120.05325	0.4
121.02877	1.1
123.04459	0.3
145.02890	100.0
146.03233	5.1
146.04216	0.1
157.90135	0.2
163.03957	4.8
164.04370	0.4
225.22246	0.4
269.21497	0.2
271.22842	9.0
272.23193	0.9
291.67642	0.2
331.20801	0.2
331.26572	0.5
380.90762	0.2
399.25464	1.3
417.26566	31.1
418.26892	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	417.2292
Annotation	CHEBI:69182
Peak:m/z	Relative Intensity
59.01266	2.2
61.98755	0.2
70.96093	0.3
70.96421	0.2
71.01275	0.3
83.04900	0.2
87.00790	0.3
99.04434	0.2
106.04196	0.2
117.03336	0.3
119.04935	0.3
121.02848	0.6
121.54715	0.2
132.02112	0.4
133.02885	14.0
134.03729	2.1
135.04443	5.6
136.04800	0.3
137.02362	2.3
139.03917	0.7
145.02925	0.3
150.03142	0.2
161.02390	52.5
162.02736	2.9
163.03986	0.4
165.01952	0.2
178.02670	0.7
179.03462	3.5
180.03726	0.2
181.05072	0.4
181.10809	0.2
211.13383	0.7
255.74146	0.2
309.08511	0.2
326.86194	0.2
332.15897	0.4
416.66241	0.3
417.22894	100.0
418.23245	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	417.2292
Annotation	CHEBI:69182
Peak:m/z	Relative Intensity
59.01269	4.4
61.98720	0.9
71.57851	0.3
93.03358	1.9
94.11255	0.4
106.04164	1.4
107.04940	0.4
109.02861	0.9
110.40856	0.3
111.00802	1.1
119.04917	0.9
121.02857	5.1
124.01579	0.4
133.01865	0.4
133.02885	14.0
134.03668	30.6
135.04469	18.0
136.04773	0.9
137.02374	33.6
137.15053	0.3
138.02725	0.9
139.03943	11.3
139.28777	0.3
140.04309	0.5
145.02898	1.0
149.02400	0.9
150.03183	4.0
161.02420	2.5
162.02716	0.6
163.03966	1.3
165.01825	0.9
178.02679	14.1
179.03468	17.5
180.03819	1.1
188.08369	0.9
192.47192	0.3
227.91989	0.4
297.05905	0.3
332.15808	2.4
351.15082	0.4
373.23889	0.6
382.90894	0.4
417.22903	100.0
418.23248	16.2
418.28925	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1779
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03353	1.3
59.01267	100.0
60.01615	2.6
61.98722	13.6
66.92873	0.8
71.01274	31.2
71.56269	1.1
72.01623	1.1
72.99181	2.0
73.02841	15.1
75.00780	4.1
75.47258	0.7
81.54160	0.8
83.01287	4.7
85.02856	13.1
87.00785	2.5
89.02330	7.7
91.02769	0.8
95.01280	1.7
99.00784	4.8
101.02354	24.0
109.02860	0.8
112.46107	0.8
113.01633	1.0
113.02364	10.9
114.02674	1.0
119.03440	4.2
125.02386	1.6
129.01927	1.8
131.03461	0.9
135.04437	1.4
143.03456	1.9
149.04420	1.2
151.05042	0.9
151.98323	1.2
159.02983	2.5
161.02370	1.6
161.04514	42.9
162.02632	0.9
162.04880	2.0
165.09200	4.8
175.80476	0.7
179.05615	1.2
191.05571	1.2
192.05859	1.6
193.05920	1.0
205.03482	1.8
269.10358	5.4
311.11520	1.8
331.17706	21.6
332.18008	2.7
357.15625	21.7
358.15787	1.9
373.18649	1.0
416.62106	3.7
417.12128	1.4
417.17328	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	417.2141
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42541	0.1
59.01265	100.0
60.01598	1.2
67.04449	0.1
69.45674	0.7
71.01286	0.2
85.02881	0.1
89.02381	0.1
101.02370	0.2
113.02413	0.1
127.33907	0.1
144.77824	0.1
208.75232	0.1
226.78551	0.1
279.26971	0.1
291.87766	0.1
315.18436	0.1
327.76218	0.1
400.09937	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2139
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01264	100.0
60.01603	1.1
60.25657	0.1
61.04497	0.2
71.01254	0.2
113.02428	0.2
192.66249	0.1
217.63391	0.2
227.86655	0.2
314.17188	0.2
315.18454	0.3
343.23239	0.2
353.25909	0.2
396.39972	0.2
399.54486	0.2
416.66254	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1778
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03327	1.9
59.01266	18.0
67.01781	1.1
68.99706	1.3
69.03339	0.9
70.61659	1.6
71.01270	14.3
72.99201	4.8
73.02843	1.2
75.00767	15.1
80.98915	0.4
83.01277	1.1
85.02843	17.5
87.00774	5.5
89.02340	3.6
90.49228	0.6
93.23364	0.5
95.01286	4.9
99.00787	9.6
101.02347	0.5
103.00268	1.4
111.00751	0.6
113.02357	21.3
114.02673	0.6
115.00288	1.9
117.01846	2.2
125.65699	0.5
129.01883	1.6
138.35887	0.5
156.85719	0.5
157.01381	0.6
161.02409	1.6
161.04530	0.6
162.02766	0.7
167.10728	88.2
168.11060	4.2
175.02472	2.3
205.07219	0.8
216.12971	0.6
223.08440	0.8
231.05107	2.2
249.06178	18.2
250.06525	0.7
267.07275	5.6
315.17868	0.7
315.86292	0.5
337.41544	0.5
399.16705	2.2
400.17102	0.6
416.66129	2.8
417.17743	100.0
418.18140	12.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.156
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01260	1.4
59.57714	0.1
65.00224	0.3
67.01778	0.4
68.99696	0.2
69.03342	0.2
71.00661	0.1
71.01276	0.9
81.03338	0.6
84.02045	0.4
85.02852	0.6
87.00731	0.2
89.02341	0.5
90.61076	0.2
93.03354	0.8
95.01284	1.3
95.04915	0.3
97.02846	0.3
98.73173	0.2
101.02336	0.3
107.04931	0.7
108.02088	0.5
109.02850	4.5
111.00774	0.8
113.02348	0.3
119.03387	0.2
119.04955	0.3
121.02900	0.9
121.06508	0.2
122.03699	0.2
123.00795	4.9
123.04440	0.9
124.01621	0.9
124.27765	0.2
125.02393	1.2
131.04900	0.2
133.02879	0.7
134.03682	1.6
135.00815	0.2
135.04526	0.3
136.01563	0.3
137.02370	18.8
138.02824	0.7
139.00322	0.5
139.03952	0.8
145.02879	0.3
147.04456	1.3
148.05133	0.2
149.02386	2.0
149.06007	1.3
150.03183	1.0
151.00304	29.4
151.03894	1.8
152.01108	3.5
152.04718	2.8
153.01869	0.4
153.05467	0.4
154.02615	0.4
158.03711	0.2
159.04446	0.7
160.05168	0.2
161.02379	0.6
161.05963	0.2
162.03151	0.4
163.03952	1.0
164.04742	0.7
165.01926	1.4
166.02666	73.3
167.03360	5.7
168.04115	0.3
173.02429	0.4
174.03194	0.2
175.03947	1.9
175.07585	0.3
176.01135	0.4
177.01895	4.5
177.05518	0.7
178.02623	0.7
179.03476	0.9
179.07074	0.6
180.04195	0.2
181.05026	100.0
182.05357	5.1
184.03691	1.1
187.03874	0.2
189.05510	0.5
190.02701	0.6
190.06325	1.1
191.03487	1.5
191.06996	0.3
192.04240	1.6
193.04993	1.3
195.02991	0.8
200.75452	0.2
203.03493	0.8
204.04214	0.3
205.05078	1.5
205.08681	1.7
206.05661	0.2
207.06598	1.5
209.04594	0.4
217.05072	0.5
218.05809	0.2
219.06569	0.8
220.03772	0.2
220.07253	0.3
221.04565	0.3
224.03358	0.4
229.69702	0.2
235.05969	0.2
237.09229	1.0
239.74951	0.2
243.06647	0.2
255.10286	2.7
257.08209	0.2
258.08871	0.2
271.06125	0.2
283.06235	0.3
284.07098	0.2
285.07861	0.2
286.08444	0.1
299.05756	0.3
301.07159	0.8
314.07977	0.5
316.09433	0.3
327.08563	0.2
329.06873	0.2
329.10532	0.7
339.08691	0.2
341.10437	0.3
344.09137	0.2
356.12750	0.2
357.09946	0.6
359.11420	2.3
360.11813	0.3
369.09879	0.3
371.15070	0.9
372.08841	0.3
385.62653	0.3
387.10925	17.9
388.11258	2.3
402.13263	12.3
403.13644	1.5
417.15643	37.4
418.15994	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	417.156
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01260	1.4
59.57714	0.1
65.00224	0.3
67.01778	0.4
68.99696	0.2
69.03342	0.2
71.00661	0.1
71.01276	0.9
81.03338	0.6
84.02045	0.4
85.02852	0.6
87.00731	0.2
89.02341	0.5
90.61076	0.2
93.03354	0.8
95.01284	1.3
95.04915	0.3
97.02846	0.3
98.73173	0.2
101.02336	0.3
107.04931	0.7
108.02088	0.5
109.02850	4.5
111.00774	0.8
113.02348	0.3
119.03387	0.2
119.04955	0.3
121.02900	0.9
121.06508	0.2
122.03699	0.2
123.00795	4.9
123.04440	0.9
124.01621	0.9
124.27765	0.2
125.02393	1.2
131.04900	0.2
133.02879	0.7
134.03682	1.6
135.00815	0.2
135.04526	0.3
136.01563	0.3
137.02370	18.8
138.02824	0.7
139.00322	0.5
139.03952	0.8
145.02879	0.3
147.04456	1.3
148.05133	0.2
149.02386	2.0
149.06007	1.3
150.03183	1.0
151.00304	29.4
151.03894	1.8
152.01108	3.5
152.04718	2.8
153.01869	0.4
153.05467	0.4
154.02615	0.4
158.03711	0.2
159.04446	0.7
160.05168	0.2
161.02379	0.6
161.05963	0.2
162.03151	0.4
163.03952	1.0
164.04742	0.7
165.01926	1.4
166.02666	73.3
167.03360	5.7
168.04115	0.3
173.02429	0.4
174.03194	0.2
175.03947	1.9
175.07585	0.3
176.01135	0.4
177.01895	4.5
177.05518	0.7
178.02623	0.7
179.03476	0.9
179.07074	0.6
180.04195	0.2
181.05026	100.0
182.05357	5.1
184.03691	1.1
187.03874	0.2
189.05510	0.5
190.02701	0.6
190.06325	1.1
191.03487	1.5
191.06996	0.3
192.04240	1.6
193.04993	1.3
195.02991	0.8
200.75452	0.2
203.03493	0.8
204.04214	0.3
205.05078	1.5
205.08681	1.7
206.05661	0.2
207.06598	1.5
209.04594	0.4
217.05072	0.5
218.05809	0.2
219.06569	0.8
220.03772	0.2
220.07253	0.3
221.04565	0.3
224.03358	0.4
229.69702	0.2
235.05969	0.2
237.09229	1.0
239.74951	0.2
243.06647	0.2
255.10286	2.7
257.08209	0.2
258.08871	0.2
271.06125	0.2
283.06235	0.3
284.07098	0.2
285.07861	0.2
286.08444	0.1
299.05756	0.3
301.07159	0.8
314.07977	0.5
316.09433	0.3
327.08563	0.2
329.06873	0.2
329.10532	0.7
339.08691	0.2
341.10437	0.3
344.09137	0.2
356.12750	0.2
357.09946	0.6
359.11420	2.3
360.11813	0.3
369.09879	0.3
371.15070	0.9
372.08841	0.3
385.62653	0.3
387.10925	17.9
388.11258	2.3
402.13263	12.3
403.13644	1.5
417.15643	37.4
418.15994	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	415.3074
Annotation	Unknow
Peak:m/z	Relative Intensity
55.70848	0.9
59.01265	100.0
60.61330	1.1
71.58615	1.0
71.59045	1.6
94.94323	1.3
97.15925	0.9
113.13120	1.0
135.33847	1.1
135.34825	1.1
221.30154	1.1
257.29898	1.2
393.64633	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.0845
Annotation	Unknow
Peak:m/z	Relative Intensity
55.41127	0.8
58.77539	0.8
59.01257	3.3
61.98718	13.0
70.15921	3.8
71.01266	1.4
72.99181	1.0
81.03347	1.0
85.02849	5.5
87.00782	1.3
93.03360	3.5
98.20476	1.1
106.24697	0.8
109.02861	2.1
110.73582	1.0
111.04426	1.1
125.02352	1.2
127.03963	1.7
148.92856	1.0
153.01907	1.2
161.02417	2.2
171.02998	0.9
173.04501	1.6
179.03566	0.9
191.05597	100.0
192.05963	3.6
209.42870	1.0
225.00504	0.9
246.40601	1.0
269.95569	0.9
353.08896	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	417.0838
Annotation	Kaempferol-3-O-alpha-L-arabinoside
Peak:m/z	Relative Intensity
59.01261	2.5
69.26968	3.0
69.27393	1.4
69.72699	0.6
74.81238	0.4
80.78556	0.4
91.68897	0.4
96.71396	0.4
98.19847	0.8
100.49995	0.4
117.03410	0.6
135.00775	0.6
149.50633	0.4
151.00293	1.1
161.02350	0.4
163.00339	0.7
175.93434	0.4
178.99757	0.4
183.04601	0.4
185.05984	0.5
197.20413	0.4
199.04016	0.5
211.03984	1.1
211.07599	0.5
213.81941	0.4
222.36880	0.5
227.03506	53.7
228.03873	4.3
229.05035	1.3
239.03537	0.7
240.12376	0.4
255.03030	69.5
256.03598	11.7
257.04379	0.9
283.03055	0.4
284.03329	83.5
285.03967	20.6
286.04474	1.0
327.05356	0.5
353.29065	0.5
385.62338	0.5
417.08359	100.0
418.08694	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	415.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
56.13169	0.2
59.01265	100.0
60.01600	1.3
62.30296	0.2
69.58826	1.8
71.01271	1.3
73.02847	1.1
73.61730	0.2
75.15936	0.2
76.34180	0.2
77.54578	0.2
83.01313	0.5
85.02866	0.5
89.02360	0.4
95.59819	0.2
101.02340	1.7
113.02395	0.6
119.03429	0.4
133.02927	0.8
135.04466	0.8
150.03171	0.6
151.04015	0.3
161.02414	2.0
161.04485	0.4
179.03531	0.5
203.03589	0.3
211.07697	1.7
414.60803	0.6
415.10611	0.4
416.16101	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75286	0.3
57.90893	0.3
59.01264	100.0
60.01608	1.3
71.01268	0.8
71.29073	0.7
72.15807	0.2
73.02840	0.4
78.67156	0.2
89.02349	0.3
101.02364	0.7
113.02384	0.4
118.97968	0.4
119.03394	0.3
133.02882	0.8
135.04469	0.4
145.02850	0.3
156.65277	0.3
161.02420	0.9
174.38324	0.3
179.03458	0.3
211.13342	0.3
310.59296	0.4
316.81390	0.3
349.36020	0.3
415.13092	0.5
416.16180	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1985
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01990	0.2
52.67471	0.2
54.86142	0.2
59.01266	100.0
60.01605	1.2
69.91460	0.3
69.91782	1.5
71.01279	0.6
73.02843	1.1
83.01304	0.4
89.02357	0.3
94.83661	0.3
98.20567	0.3
101.02359	1.0
113.02412	0.3
161.02390	0.5
161.04494	0.6
249.59441	0.3
337.23047	0.3
416.15939	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1985
Annotation	6-Acetoxy-7-hydroxymyrcene-7-O-beta-D-glucopyranoside-2'-O-acetate
Peak:m/z	Relative Intensity
51.31426	0.2
53.80220	0.2
59.01266	100.0
60.01601	1.1
60.74786	0.1
62.61042	0.2
71.01257	1.0
71.31494	0.3
73.02837	0.5
78.73376	0.2
80.41862	0.2
82.25945	0.1
82.29834	0.2
85.02847	0.2
89.02349	0.4
96.95905	0.2
99.00740	0.2
99.27039	0.1
101.02369	0.8
113.02392	0.4
116.92449	0.1
119.03436	0.2
121.02829	0.2
131.26796	0.1
133.02914	0.2
135.04465	0.3
151.00288	0.4
161.02425	0.5
161.04585	0.2
211.07693	0.4
228.24007	0.2
397.93213	0.2
415.23517	0.2
416.15173	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2918
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07649	0.6
59.01266	100.0
60.01630	1.3
121.60184	0.8
148.26105	0.6
149.68732	0.6
164.81372	0.7
258.37494	0.7
355.88840	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2918
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50972	0.6
57.39189	0.5
59.01265	100.0
60.01595	0.8
74.21391	0.5
95.13977	0.5
95.84669	0.6
98.20641	1.1
326.92993	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1619
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	0.5
58.00470	0.6
59.01265	100.0
60.01601	1.5
61.98728	0.5
68.91435	0.4
71.01267	8.3
71.58101	0.7
72.99207	1.1
73.02845	1.6
73.49348	0.4
80.12740	0.5
83.01287	1.0
85.02847	3.2
89.02343	4.9
90.30208	0.5
95.01279	0.6
99.00796	0.6
101.02346	4.3
113.02369	3.6
119.03443	2.6
119.04953	3.5
133.02898	1.3
135.04460	2.3
137.02364	0.7
139.11771	0.5
143.03429	0.6
145.02908	0.9
149.02533	0.5
150.03154	1.2
151.00372	0.5
151.04019	0.5
161.02393	3.8
161.04475	2.9
161.83353	0.5
163.03954	4.0
178.06291	2.2
179.03566	1.3
179.05623	0.6
193.08650	4.2
197.78842	0.5
219.13164	0.5
223.22279	0.5
240.99982	0.5
325.25925	0.4
333.58777	3.4
392.96600	0.5
414.61935	1.4
415.11581	1.0
415.23425	2.9
416.08786	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	0.7
57.03346	0.9
58.00468	0.3
59.01263	100.0
60.01595	1.0
69.03346	0.2
69.41595	1.7
71.01266	10.2
72.01622	0.2
72.99212	0.6
73.02833	3.6
75.00774	0.3
77.26499	0.2
77.46657	0.2
83.01260	1.9
84.02054	0.2
85.02834	5.7
87.00793	0.5
89.02336	2.6
95.01295	0.7
97.02847	0.4
99.00785	1.0
101.02343	7.5
113.02349	4.5
119.03406	1.0
125.02336	0.3
126.60102	0.2
129.01884	0.2
137.09711	0.2
143.03423	0.4
145.13573	0.2
149.06015	0.4
158.14809	0.2
159.02989	0.7
161.02473	0.2
161.04500	3.0
209.15446	1.8
255.98952	0.2
353.19708	2.6
354.20193	0.5
371.20795	11.9
372.21127	1.2
407.14499	0.2
413.21985	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	413.1827
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	100.0
59.91359	0.2
60.01604	0.9
69.41219	1.8
71.01273	0.4
82.31170	0.2
101.02373	0.2
112.48799	0.2
148.28862	0.2
163.04004	0.3
269.38696	0.2
277.00027	0.2
311.11975	0.2
311.15283	0.7
331.15652	0.4
413.21881	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1587
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	1.6
61.98714	0.3
71.59354	0.4
74.41312	0.3
75.03428	0.2
78.95798	0.6
80.91572	2.3
93.03374	0.3
96.49519	0.2
96.96874	1.1
116.09901	0.2
117.03356	0.3
121.02873	0.8
132.02075	0.3
133.02881	10.6
134.03679	4.0
135.04457	8.6
136.04794	0.4
137.02373	3.5
139.03937	1.2
145.02922	1.2
149.05971	0.3
150.03178	0.2
161.02388	43.8
162.02744	2.1
163.03935	0.3
166.67104	0.2
171.02939	0.3
173.00899	1.3
173.04677	0.3
175.02446	1.3
178.02632	1.7
179.03470	5.6
180.03766	0.2
190.01167	0.4
201.00410	0.7
215.02008	1.5
219.01506	1.9
238.50305	0.2
243.01497	0.5
261.02557	1.0
315.16052	1.2
331.15570	100.0
332.15921	11.8
338.49963	0.2
371.13522	2.1
372.13910	0.5
413.14618	8.2
413.76398	0.3
414.07440	0.5
414.15085	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	413.1588
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33980	0.3
59.01261	0.7
61.98722	0.3
69.84589	1.2
80.91579	0.9
85.02834	1.4
87.04434	0.4
97.06499	1.8
98.20551	0.3
108.79659	0.2
113.02376	0.3
114.21051	0.2
117.03378	4.7
118.03623	0.4
119.04944	34.8
120.05276	1.4
121.02864	2.1
123.04428	0.6
131.91801	0.2
133.02887	0.9
134.03700	0.4
135.04419	0.3
145.02887	25.4
146.03210	1.3
161.02397	4.0
161.05995	0.3
162.03122	0.8
163.03958	24.9
164.04259	1.4
165.05536	0.4
181.55994	0.3
197.38499	0.3
227.98186	0.3
331.15570	100.0
332.15906	11.0
371.13580	0.4
371.40015	0.3
413.14874	1.1
414.08643	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1585
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00487	0.4
59.01259	0.8
69.61898	2.0
80.91573	2.7
89.36189	0.3
92.44998	0.3
96.96896	0.6
98.20517	0.6
132.02107	0.3
133.02876	6.4
134.03709	1.7
135.04449	35.6
136.04765	1.6
137.02373	1.3
139.03963	0.6
139.11201	0.6
145.02895	0.6
161.02388	42.6
162.02731	1.8
169.12270	0.8
173.00896	0.7
173.04434	0.3
174.82973	0.3
175.02460	1.1
178.02695	0.6
179.03452	5.1
201.00426	1.1
206.96210	0.3
215.01968	1.0
217.03545	1.2
219.01476	1.7
225.47679	0.3
243.01450	1.8
261.02597	3.8
262.02710	0.5
270.38617	0.3
315.16089	0.6
331.15570	100.0
332.15897	10.7
349.76410	0.3
390.00494	0.3
413.06525	0.4
413.14612	10.0
413.20041	0.6
414.07382	0.4
414.14880	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.1835
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03331	0.1
58.02880	0.2
59.01261	1.1
61.01696	0.2
61.98718	100.0
62.98418	0.2
65.99755	0.2
66.82433	0.1
70.96812	0.3
71.01276	0.7
72.99197	0.2
73.02846	0.3
75.00766	0.1
75.34393	0.1
83.01315	0.2
85.02850	0.5
87.00779	0.2
89.02363	0.5
101.02367	0.3
113.02357	0.2
122.36091	0.1
129.01830	0.1
131.04919	0.3
133.77292	0.2
135.04465	0.2
149.06013	0.4
152.18207	0.2
161.02414	0.3
161.04581	0.2
164.07196	0.2
167.58073	0.2
179.03532	0.2
179.05444	0.1
188.07188	0.4
206.08174	0.4
207.74850	0.2
274.07452	0.2
350.19223	0.2
351.19403	0.2
352.19482	1.2
392.12375	0.2
411.62827	0.3
412.12543	0.2
413.12433	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2761
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	100.0
60.01607	0.9
63.00942	0.3
70.50721	0.7
70.51112	0.7
78.95778	0.4
152.99553	0.7
387.12357	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2761
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87154	0.7
59.01265	100.0
59.54650	0.6
60.01606	0.6
63.73486	0.6
65.36737	0.6
71.14581	1.4
75.18601	0.5
78.95805	1.4
96.81598	0.7
113.57707	0.6
133.74129	0.6
152.99577	1.8
164.77588	0.7
169.52939	0.6
316.17477	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.1834
Annotation	Unknow
Peak:m/z	Relative Intensity
57.93343	0.3
59.01268	2.4
59.42289	0.3
60.01616	0.3
61.95439	0.3
61.98717	100.0
62.98394	0.3
69.25966	0.8
69.26382	2.3
71.01263	1.3
71.21352	0.2
78.17644	0.3
79.87935	0.3
85.02841	0.3
89.02359	1.2
101.02378	0.5
113.02330	0.6
114.71937	0.3
118.68909	0.2
119.03442	0.6
129.62608	0.3
131.04956	0.7
135.04485	0.5
138.57970	0.3
147.04491	0.6
149.06041	0.8
154.59637	0.3
161.02405	0.3
164.07185	0.6
179.03532	0.4
188.07149	1.7
206.08278	0.9
274.07019	0.3
350.19098	0.5
352.19547	1.1
392.11960	0.3
411.63034	0.6
412.12805	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2373
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89386	1.4
52.76267	1.4
57.03325	2.0
59.01261	13.4
61.98717	20.0
64.02357	1.6
69.49215	4.5
69.49633	8.5
71.04907	1.4
80.02567	1.6
80.91582	1.8
84.02041	1.6
85.02805	1.9
92.66518	1.3
97.03593	1.3
97.06445	2.1
99.08064	5.9
117.03384	13.9
119.04943	23.4
125.09625	2.4
127.11186	5.8
133.02939	1.9
135.04407	3.0
139.11229	16.2
145.02888	67.0
146.03217	1.7
155.10724	1.5
155.27229	1.4
157.12277	2.1
161.02345	3.8
162.31485	1.5
163.03951	16.6
163.11243	2.6
165.12794	15.5
167.14438	2.0
171.10220	22.5
172.10419	1.7
183.13847	5.3
191.06982	1.6
193.08443	44.8
194.08841	2.3
205.12105	2.6
207.09938	1.5
209.07936	2.4
211.13374	20.8
216.86865	1.5
219.10049	1.6
221.11499	10.3
229.14479	15.4
229.27402	1.5
231.10155	7.9
233.11621	100.0
234.11932	5.0
247.09766	3.5
249.11314	14.8
251.11580	20.3
251.12578	24.0
252.11511	3.3
265.10681	3.6
329.14120	11.6
329.23380	80.8
330.00699	1.6
330.23648	6.5
333.19763	2.0
348.15353	7.9
351.21588	93.7
352.22141	12.5
383.47775	1.6
395.20728	7.4
411.14575	39.7
411.22821	9.0
412.15036	7.3
412.22861	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1673
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01772	1.3
57.03348	1.1
58.00501	1.1
59.01265	94.2
60.01604	1.5
61.98422	1.4
61.98719	17.6
69.35120	8.4
71.01275	14.9
72.99203	2.0
73.02836	21.3
83.01289	3.2
85.02853	7.6
87.00771	3.0
89.02332	2.3
95.01267	1.6
97.02840	1.0
98.19781	1.7
99.00787	1.9
101.02351	17.9
107.07242	0.9
113.02355	3.6
119.03384	0.9
125.30618	0.8
128.27650	0.8
135.04451	1.0
143.03450	1.0
149.06053	4.1
161.02438	1.4
161.04503	20.9
162.61716	0.8
178.13785	1.0
231.10315	1.0
249.11299	2.1
291.12332	2.2
309.13507	100.0
310.13818	9.7
348.15472	2.1
351.14627	14.1
351.18979	1.4
352.14862	1.2
410.65771	0.9
411.15723	1.7
411.17450	1.3
411.20596	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	411.2187
Annotation	preandiloid B
Peak:m/z	Relative Intensity
59.01277	0.8
61.12991	0.4
68.99706	10.3
70.70611	1.0
73.35327	0.3
85.20869	0.3
94.54845	0.4
108.35075	0.3
109.02875	0.8
119.07799	0.4
146.03665	0.4
147.04500	0.7
151.07576	0.8
153.12802	0.8
153.21277	0.3
158.03674	0.8
159.04466	5.8
161.02400	1.5
171.04391	0.9
172.05280	7.5
173.06032	4.2
174.03163	1.9
174.06628	0.4
175.03918	2.1
183.04472	2.4
184.05136	0.5
185.06020	0.8
186.03217	1.5
186.06905	1.2
187.04013	16.0
187.07614	41.6
188.04385	0.9
188.07948	3.0
189.01917	1.3
189.05542	9.4
190.05904	0.7
192.77325	0.3
199.03979	3.8
200.04800	6.4
201.05550	9.5
201.09174	1.7
202.06142	1.0
203.03523	0.5
203.07114	2.1
204.04071	0.7
211.04042	0.7
211.07608	1.4
212.08170	0.5
213.05531	1.4
213.09200	4.6
214.06349	1.2
215.07126	26.8
216.07845	6.5
223.13382	3.7
223.70815	0.3
224.04704	0.5
227.03531	3.9
228.04266	6.1
228.07826	0.8
229.04984	0.6
229.08710	9.4
231.06627	4.4
232.03786	0.8
239.07178	0.6
240.07907	0.4
242.05920	0.6
245.04518	0.8
257.08234	28.5
258.08533	2.3
310.15839	0.8
338.15195	2.1
339.16095	3.6
353.17569	1.2
367.19211	44.8
368.19592	6.7
381.17172	3.0
382.17599	2.0
406.47653	0.4
411.21854	100.0
412.22226	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	411.167
Annotation	Pteroside Q
Peak:m/z	Relative Intensity
50.04634	0.3
52.43204	0.3
55.01770	0.6
57.03335	0.6
58.00484	2.9
59.01265	56.8
60.01608	0.6
61.98717	0.9
62.78392	0.3
65.99741	0.6
66.74727	0.3
69.03342	0.5
69.68269	2.1
71.01268	25.0
72.01588	0.4
72.99197	3.3
73.02839	1.3
75.89796	0.3
78.95808	0.8
83.01279	1.8
85.02846	4.4
87.00778	1.1
89.02337	23.5
90.02695	0.3
95.01273	0.9
100.95728	0.3
101.02342	21.9
102.02675	0.5
109.02866	0.4
113.02354	6.3
119.03421	12.3
119.04812	0.5
126.60494	0.4
130.04178	0.4
131.03410	0.5
133.02907	1.3
134.03680	2.0
135.04420	2.0
143.03378	0.4
146.03679	1.0
147.04459	0.8
149.05992	0.3
149.87341	0.3
151.07639	0.4
158.03685	1.0
159.04471	3.6
159.08148	0.6
160.05098	0.4
161.02376	3.7
161.04491	0.6
162.02747	0.6
172.05270	2.5
173.06042	7.5
174.03215	0.6
174.06877	0.7
175.04019	0.6
175.07594	0.8
179.03442	0.6
179.05585	1.0
187.04037	4.1
187.07613	28.1
188.08025	2.1
189.05472	0.3
190.06343	0.7
201.05545	7.7
201.07312	0.6
201.09196	0.6
202.06329	37.1
203.03528	0.5
203.06660	2.9
203.10713	1.7
204.04155	0.4
204.07829	0.6
213.09181	1.7
215.07043	0.4
216.07951	3.0
219.10176	0.6
220.07388	0.7
231.10280	55.3
232.10608	4.3
249.11299	2.0
311.09689	1.5
311.59540	1.5
330.59991	1.2
331.71231	0.3
382.12946	0.5
393.15839	0.4
411.16696	100.0
412.17044	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	411.1434
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26375	0.3
54.80516	0.3
59.01266	1.5
61.98709	1.5
64.56854	0.3
69.29324	3.1
69.29731	0.4
71.01271	0.3
78.91788	1.2
80.91536	0.4
83.29537	0.3
85.02857	0.9
90.77928	0.3
97.06519	0.4
107.04939	0.4
110.84396	0.3
117.03374	14.7
118.03643	0.7
119.04945	7.2
121.02879	3.1
123.04439	1.4
133.02869	1.1
134.03523	0.3
135.04437	0.4
145.02885	97.5
146.03218	5.9
161.02380	1.3
162.03172	3.7
163.03951	5.5
164.04337	0.4
206.69054	0.3
256.32373	0.3
268.44165	0.4
273.54407	0.3
329.14001	100.0
330.14371	12.4
373.16733	0.4
411.13287	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1436
Annotation	Unknow
Peak:m/z	Relative Intensity
58.42662	0.2
59.01255	1.0
61.04355	0.2
61.98717	1.5
62.23859	0.3
68.05589	0.2
69.61671	2.1
73.84552	0.2
76.42861	0.2
78.91775	0.8
80.91572	1.5
93.03335	0.4
97.02855	0.3
97.76708	0.2
105.35022	0.3
119.04974	0.6
121.02810	0.2
133.02878	5.4
134.03665	2.7
135.04453	19.6
136.04840	0.6
136.81660	0.3
137.02383	1.7
139.03851	0.3
145.02953	0.4
161.02391	21.7
162.02728	1.3
163.03947	0.6
171.02844	0.3
173.00903	0.4
173.04495	0.5
175.02451	1.8
178.02682	0.7
179.03470	16.2
180.03818	0.8
190.01207	0.5
201.00365	0.3
202.66710	0.3
215.01993	0.3
217.03516	0.6
217.96709	0.2
219.01469	1.9
261.02652	1.7
261.96005	0.3
329.14020	100.0
330.14328	10.6
369.12030	1.5
370.12335	0.3
411.13129	6.5
412.06583	0.4
412.13449	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1456
Annotation	Viscosol
Peak:m/z	Relative Intensity
53.46768	0.4
59.01276	2.0
61.98716	0.7
70.11119	1.1
70.11520	0.8
78.95790	1.1
93.03369	0.8
96.96886	1.4
115.55323	0.4
117.03388	9.7
119.04946	22.1
120.05311	1.4
121.02860	1.5
123.04463	0.7
132.02092	0.6
133.02882	19.0
134.03706	6.0
135.04454	22.0
136.04797	1.4
137.02390	4.2
139.03935	1.1
145.02892	66.2
146.03204	2.9
161.02397	57.2
162.02721	3.1
163.03963	16.1
164.04266	1.2
167.06305	0.5
178.02693	0.9
179.03464	10.9
180.03758	0.6
202.35515	0.4
231.10094	0.5
247.09813	5.3
249.11349	7.6
250.11674	0.5
265.10867	58.6
266.11234	4.7
268.10147	0.4
280.94702	0.5
313.14481	2.9
320.42935	0.5
329.14020	6.7
330.14462	1.0
330.36536	0.5
373.16702	0.6
411.14563	100.0
412.14908	15.5
426.14944	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.1677
Annotation	Unknow
Peak:m/z	Relative Intensity
55.37367	0.2
56.89660	0.2
57.06318	0.2
59.01264	2.1
60.01594	0.3
61.01694	0.3
61.98716	100.0
62.98409	0.3
65.46558	0.2
68.86556	0.2
70.74205	0.6
71.01272	0.9
72.01613	0.3
72.99215	0.2
73.02867	0.2
78.34462	0.2
80.12730	0.2
85.02862	0.3
88.65700	0.2
89.02364	0.8
96.95915	0.2
101.02374	0.4
102.02695	0.3
119.03458	0.3
119.04902	0.2
135.18282	0.2
160.26895	0.2
161.04486	0.3
285.16974	0.2
348.17596	0.5
349.17978	0.7
350.18109	2.3
411.13345	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1435
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01261	1.1
61.98722	0.4
71.04924	0.3
78.91781	0.5
80.91576	1.4
85.02858	0.3
91.41278	0.3
93.03357	0.3
95.04931	0.4
117.03372	2.8
119.04941	2.5
121.02863	2.2
123.04437	0.6
123.08063	0.5
126.66474	0.3
133.02884	9.4
134.03685	1.7
135.04460	2.5
137.02370	1.6
137.09663	0.4
145.02895	14.5
146.03227	0.6
161.02399	54.6
162.02715	2.2
163.03940	1.8
167.10770	1.8
173.00949	1.4
175.02403	0.5
178.02686	0.4
179.03481	1.2
187.07590	0.8
201.00444	1.4
215.02051	0.8
219.01526	0.9
243.01566	1.3
285.15033	2.7
286.15460	0.5
301.10361	0.3
329.14014	100.0
330.14365	10.8
369.12033	1.7
411.13031	7.4
412.13480	1.5
431.47922	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.1465
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	0.6
61.98717	100.0
71.31014	0.6
97.06523	0.3
117.03387	1.4
119.04943	4.7
121.02931	0.3
133.02922	0.9
134.03673	0.3
135.04454	3.5
145.02881	5.7
161.02371	3.3
163.03961	5.5
179.03476	2.1
215.94865	0.3
220.70012	0.3
247.09723	0.4
264.84732	0.3
265.10800	0.3
329.13925	4.0
329.17517	0.3
347.15063	14.7
348.15472	2.0
411.14554	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	410.1466
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72881	0.3
59.01260	0.9
60.14933	0.3
61.98717	100.0
85.02849	1.2
95.25095	0.3
96.48695	0.3
97.06514	1.3
111.41212	0.3
125.97817	0.3
127.00194	0.3
133.02882	3.7
134.03682	1.6
135.04451	18.8
136.04787	0.7
137.02390	1.5
137.03317	0.3
139.03925	0.4
143.88086	0.4
160.00423	0.3
161.02390	19.1
162.02765	0.9
177.05510	0.4
178.02644	1.2
179.03461	14.5
180.03865	0.5
181.05125	0.3
338.44299	0.3
347.15063	90.3
348.15417	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	410.1462
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15010	0.6
58.02849	1.2
59.01262	5.1
61.95436	0.6
61.98723	2.0
65.99730	1.9
71.01263	1.8
73.02843	1.6
84.00814	1.5
87.00803	0.7
89.02348	0.9
93.03339	0.6
101.02315	1.1
109.02879	7.8
119.04943	1.2
121.02866	2.6
122.03660	1.7
123.04443	40.2
123.30309	0.6
124.01593	1.4
124.04786	1.2
135.04462	2.8
145.02878	0.7
147.03377	1.0
147.04448	6.1
149.06038	4.3
150.90450	0.6
151.03928	1.0
161.02461	1.2
161.06015	0.9
162.05560	2.1
163.03949	3.3
163.07582	1.9
164.07117	12.2
165.05521	5.4
188.07129	4.0
191.07175	0.7
206.04814	11.5
206.08218	100.0
207.08533	5.4
229.23384	0.7
410.14948	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	409.2369
Annotation	1-Palmitoyl Lysophosphatidic Acid
Peak:m/z	Relative Intensity
52.97474	0.2
53.02600	0.2
62.96270	0.3
66.33553	0.2
70.45891	0.3
70.46242	0.7
78.95794	46.1
96.96273	0.5
96.96867	6.2
98.19837	0.2
111.32838	0.2
150.97960	1.8
152.99527	100.0
153.99860	1.6
170.99202	0.3
171.00595	4.7
255.23300	1.4
373.67249	0.3
409.23682	9.2
410.24225	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.1102
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03192	0.8
59.01263	11.4
60.01590	1.4
61.98699	2.5
65.17500	0.9
65.99732	1.9
67.01765	3.9
70.17442	4.1
71.01268	3.0
72.99198	35.9
73.02847	1.9
73.35234	0.9
74.80720	0.9
79.58424	0.8
81.03355	1.1
85.02856	11.5
87.00781	5.9
93.03357	16.5
99.00806	0.9
101.02345	1.3
109.02841	2.0
111.04424	3.3
115.02977	0.9
120.04444	1.3
121.02853	2.7
123.04448	2.3
127.03938	3.8
133.02855	2.1
134.03685	1.0
135.04437	17.3
137.02380	4.0
147.03172	2.5
147.04445	6.8
150.05493	1.1
151.03931	1.8
161.04579	1.2
162.05568	6.9
165.05531	3.7
173.02411	3.3
173.04509	12.5
174.05586	4.7
176.03503	3.9
177.01907	1.0
191.05577	100.0
192.05934	3.6
200.03528	8.0
218.01048	1.3
218.04585	14.5
219.03075	1.7
228.09793	1.1
236.05670	27.2
237.06065	2.2
247.04625	2.1
261.06726	1.0
272.07770	1.7
299.89139	1.3
392.09930	6.7
410.11020	39.4
411.11133	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	409.2088
Annotation	Unknow
Peak:m/z	Relative Intensity
56.10480	0.6
57.03303	0.6
59.01263	100.0
60.01603	1.0
61.98725	1.4
70.72366	1.2
70.72694	0.7
71.01270	12.0
72.99196	0.9
73.02844	3.5
75.07235	0.7
81.67921	0.6
83.01283	1.3
85.02821	4.7
89.02340	4.3
90.54511	0.6
91.35404	0.8
95.01299	1.3
96.95915	1.2
99.00777	1.3
101.02350	10.1
103.28625	0.5
110.67974	0.6
113.02349	7.0
119.03422	2.0
143.03429	1.2
149.02414	0.6
159.02927	1.4
161.04506	10.1
165.05536	1.6
179.05598	0.7
183.05774	0.5
195.55212	0.6
205.03540	0.9
263.87750	0.7
289.27866	0.6
349.18726	48.6
350.18973	4.4
393.17630	4.9
409.20801	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2088
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	100.0
61.98720	3.7
64.26620	0.9
71.01267	20.5
71.58490	1.0
71.58917	1.3
72.01606	1.0
72.99209	2.0
73.02836	26.9
76.54097	0.9
83.01292	2.5
85.02858	5.1
87.00778	2.9
89.02345	9.5
93.03363	1.1
95.01320	1.3
99.00790	1.6
101.02341	15.4
113.02369	4.5
119.03427	5.5
131.03574	0.9
135.04427	1.1
143.03444	1.3
149.02345	1.0
150.03157	2.2
161.04503	40.7
161.05846	2.2
162.04950	1.1
165.05539	2.5
179.05643	1.3
187.13405	2.1
191.05554	5.2
225.83041	0.9
283.11951	1.0
298.75458	1.0
349.18756	98.8
350.19086	9.2
363.16711	1.2
386.62405	0.9
393.17468	4.2
409.20889	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	409.2089
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97446	0.6
55.01759	1.1
58.00479	2.2
59.01264	100.0
60.01600	2.2
61.22703	0.7
61.98710	5.3
69.40723	4.1
69.41148	2.4
70.44149	0.6
71.01270	35.4
72.01593	0.8
72.99199	3.0
73.02828	5.1
75.00761	1.4
82.43712	0.6
83.01283	2.0
84.78444	0.6
85.02837	8.7
87.00789	1.6
89.02337	35.9
90.02702	0.9
94.17300	0.6
95.01298	2.0
98.19707	1.2
99.00795	2.8
101.02345	25.2
113.02356	16.9
114.02747	1.0
119.03419	15.9
128.33578	0.6
131.03450	1.4
137.02411	2.8
143.03468	2.4
149.04515	1.1
159.02959	1.0
161.04495	13.1
179.05583	6.1
185.11928	0.9
187.13380	7.1
231.16873	0.8
349.18723	60.7
350.19162	6.6
409.21036	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2088
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15341	0.3
57.03347	0.5
59.01264	100.0
60.01597	1.2
61.98720	1.7
67.02919	0.3
70.46861	1.1
71.01272	7.2
71.01675	0.5
72.99205	1.5
73.02841	1.6
79.88582	0.3
81.77259	0.3
83.01281	0.6
85.02839	3.1
87.00770	0.7
89.02343	2.6
93.03365	1.0
95.01292	0.6
99.00782	0.5
101.02343	4.2
113.02348	3.1
119.03442	1.1
133.03026	0.3
135.04506	0.8
137.02393	0.4
143.03436	0.5
147.04475	0.3
148.55582	0.3
159.02956	1.1
161.04509	7.6
173.04538	0.9
174.05540	0.6
179.05556	0.4
184.06993	0.3
187.13411	0.3
191.05592	6.1
192.06067	0.4
200.03651	0.5
205.03522	0.4
218.04713	1.0
236.05626	1.7
349.18713	12.0
350.19174	1.1
387.72000	0.3
392.09924	0.4
393.17789	2.5
409.20981	5.1
410.10947	3.2
410.21069	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.209
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01882	1.3
58.05602	1.3
59.01268	43.9
60.94879	1.4
64.02840	1.2
71.01273	24.4
71.13296	2.5
73.02852	4.0
85.02866	5.6
87.00782	2.6
89.02340	26.7
95.01306	1.9
98.97533	1.3
99.00813	1.8
101.02354	20.7
113.02341	10.6
113.88345	1.2
119.03417	11.0
143.03412	1.6
161.04521	7.7
173.78610	1.2
179.05574	7.2
187.13422	4.7
230.01279	1.4
349.18747	100.0
350.19156	10.7
408.22723	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.13
Annotation	Cilinaphthalide B
Peak:m/z	Relative Intensity
59.01279	2.6
61.98714	0.7
71.01265	0.7
71.51502	0.8
81.32284	0.5
86.43703	0.5
93.03355	1.6
95.04961	0.7
105.03368	1.5
106.04153	0.8
111.00786	0.6
117.03391	7.5
119.04944	79.2
120.05279	2.9
121.02872	5.7
123.04408	1.4
133.02879	21.4
134.03680	20.3
135.04453	31.3
136.04784	1.5
137.02371	16.1
139.03937	6.6
140.32393	0.6
145.02885	51.9
146.03236	3.0
149.02420	0.6
150.03154	2.1
152.99545	0.7
161.02396	17.6
162.03014	0.9
163.03957	74.2
164.04314	4.0
177.01921	1.9
178.02658	9.5
179.03459	21.1
185.06105	1.0
186.06793	0.7
189.05519	0.8
196.38657	0.6
201.09241	2.5
213.69075	0.6
222.99646	0.5
228.38766	0.5
229.08681	1.4
240.76952	0.5
245.08212	7.1
247.09924	1.0
263.09293	31.7
264.09677	2.4
283.13455	2.7
327.12512	2.2
349.18756	1.0
373.16623	1.5
409.13013	100.0
410.13336	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	408.152
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35259	0.4
58.00482	0.5
59.01265	27.9
60.01596	2.8
61.01699	0.8
61.98718	100.0
66.61832	0.4
69.79277	0.8
69.79684	2.1
71.01267	5.8
72.01612	0.8
72.99210	0.6
73.02842	1.6
83.01286	0.6
85.02866	2.0
87.00777	0.8
89.02349	3.2
90.02691	0.6
95.01305	0.5
98.19830	0.5
99.00826	0.6
101.02348	4.7
102.02718	1.3
113.02380	2.5
114.02699	0.7
119.03433	1.5
120.63251	0.4
125.02394	0.5
134.21748	0.4
135.04454	0.8
159.03000	0.5
161.02347	0.7
161.04485	3.1
162.04861	1.1
177.05550	0.4
179.05559	1.0
180.06006	0.4
191.05630	1.1
203.03482	0.4
216.03084	0.4
228.26994	0.4
347.17328	1.6
348.17563	11.3
349.18680	4.5
368.95361	0.5
408.19403	0.5
409.20752	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.152
Annotation	Unknow
Peak:m/z	Relative Intensity
57.71034	0.3
59.01263	4.9
61.98717	100.0
62.19717	0.3
62.98400	0.3
69.37111	1.3
69.37550	1.3
71.01270	2.5
73.02874	0.5
79.07342	0.3
85.02861	0.8
89.02327	2.1
94.83224	0.3
96.59705	0.3
96.95911	0.7
101.02327	2.1
101.06369	0.3
113.02364	1.0
116.67174	0.3
119.03427	0.9
119.86002	0.3
126.22710	0.3
143.03458	0.3
161.04517	1.0
179.05595	0.8
183.10362	0.4
184.10606	0.4
280.92368	0.3
292.07736	0.3
326.65665	0.3
349.18726	3.4
411.05008	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.1309
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84827	0.4
53.35154	0.4
57.03336	2.4
59.01263	9.8
61.98716	100.0
71.01282	0.7
71.60249	0.4
73.02837	0.5
83.04928	1.3
89.02332	0.7
91.05451	0.6
103.59550	0.3
113.02390	0.5
133.02864	6.6
134.03671	0.8
135.04449	12.7
137.02386	0.4
153.09154	1.3
161.02385	35.5
162.02715	1.6
163.03960	1.8
169.99544	0.4
179.03447	16.3
180.03821	0.8
193.04874	0.5
238.83685	0.3
247.09375	0.4
307.08115	0.6
311.21759	0.4
345.13486	66.8
346.13806	7.9
369.09412	0.5
377.19757	0.4
378.33902	0.4
391.16754	0.4
408.13135	3.4
409.13501	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.1307
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05381	0.4
59.01265	4.5
61.98716	100.0
62.84827	0.4
64.30750	0.4
66.40930	0.4
66.80956	0.4
67.82178	0.4
69.62761	3.3
70.70624	0.4
71.01272	0.8
89.02347	0.5
96.95885	0.6
98.20377	1.3
101.02386	0.7
113.02349	0.8
117.03414	1.2
119.04924	2.2
121.02862	0.7
133.02878	3.5
134.03685	1.1
135.04436	4.5
136.04790	0.6
137.02379	1.4
139.04054	0.4
144.12598	0.4
145.02870	3.0
150.03175	0.5
161.02380	16.3
162.02792	1.4
163.03984	1.9
178.02644	0.8
179.03448	3.3
241.44443	0.4
257.04312	0.5
279.19879	0.5
301.14569	3.4
345.13489	27.3
346.13968	3.8
349.18735	1.8
408.13022	2.0
408.17749	0.8
409.13037	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	408.1309
Annotation	Unknow
Peak:m/z	Relative Intensity
55.51090	0.4
59.01265	2.0
61.98719	100.0
69.99867	2.3
77.49741	0.4
85.02878	0.6
86.25312	0.4
94.38127	0.4
123.26018	0.5
127.63544	0.4
133.02885	2.6
134.03690	0.7
135.04462	2.1
137.02377	0.8
145.02937	0.8
161.02402	16.0
162.02620	0.5
178.02730	0.9
179.03481	2.8
221.46233	0.4
327.12506	0.8
345.13504	28.5
346.13754	2.9
349.19019	0.6
409.13193	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1932
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95955	0.5
54.36466	0.4
55.01765	0.6
57.03357	0.6
59.01266	100.0
60.01598	1.2
69.47162	2.2
69.47583	1.3
70.36077	0.4
71.01270	13.2
73.02840	3.9
75.00780	0.8
77.84374	0.4
83.01292	1.8
84.50665	0.4
85.02849	5.3
85.55602	0.4
87.00779	0.9
89.02340	6.4
95.01305	1.1
99.00803	1.4
101.02347	11.1
113.02360	5.4
118.78078	0.4
119.03406	2.9
125.02395	0.7
133.02853	0.5
135.04428	0.5
139.01088	0.4
143.03403	0.6
150.03169	0.6
159.02939	1.2
161.02425	1.3
161.04498	10.6
179.03358	0.8
179.05629	1.4
185.11798	0.9
347.17197	31.1
348.17438	3.2
365.18317	0.5
407.60803	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	407.1932
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	100.0
59.06615	0.9
60.01582	0.9
61.98722	4.4
71.01270	23.0
71.57919	0.9
71.58296	1.3
73.02834	8.0
75.00765	1.5
83.01275	1.8
85.02834	6.4
87.00778	2.6
87.04408	2.1
89.02331	14.7
95.01285	1.7
99.00771	2.8
101.02345	19.1
113.02361	10.5
116.92757	1.6
119.03402	5.0
123.04449	1.0
125.02379	1.2
127.07543	0.9
127.52615	0.8
131.03447	1.2
135.04419	1.6
137.02371	1.4
143.03397	1.8
149.04489	1.4
150.03127	1.8
159.02861	1.9
161.02336	2.4
161.04504	13.3
165.01837	1.1
167.10640	1.2
175.02438	3.6
179.03403	1.1
179.05562	3.2
190.50455	1.0
203.12917	1.7
223.70531	0.9
293.50146	1.1
347.17172	38.2
348.17551	2.8
365.18329	1.0
407.19263	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2211
Annotation	1-(9Z-hexadecenoyl)-glycero-3-phosphate
Peak:m/z	Relative Intensity
51.27635	0.3
69.91247	1.6
73.57116	0.2
74.81759	0.3
78.95792	100.0
96.62955	0.3
96.96867	9.6
96.97499	0.6
98.20465	0.4
150.97971	1.5
152.99519	86.4
153.99870	1.2
171.00587	64.4
172.00963	1.3
173.50482	0.3
198.74335	0.3
291.30252	0.4
407.22168	3.8
408.22311	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1933
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	1.3
57.03360	1.6
58.00488	0.9
59.01265	88.2
60.01600	0.7
61.74236	0.6
61.98722	2.9
62.33759	0.7
70.49178	2.3
71.01271	37.1
72.99199	1.9
73.02836	7.9
75.00755	5.4
82.08853	0.6
83.01287	2.5
85.02846	12.6
86.09544	0.7
87.00771	2.4
89.02335	28.0
95.01304	2.3
97.02846	0.8
98.19936	0.6
99.00792	2.9
101.02347	29.9
108.83011	0.6
109.02862	0.7
111.00838	0.6
113.02354	17.1
119.03407	11.4
121.02901	1.3
125.02387	3.7
127.24152	0.6
131.03432	1.8
133.02887	1.8
135.04428	3.1
137.02371	1.2
139.37494	0.6
143.03433	3.5
149.02341	1.3
149.04454	0.8
150.03175	4.9
159.02928	2.4
161.02441	5.8
161.04500	19.7
162.04759	0.8
165.01888	1.5
167.03377	0.8
179.03445	3.0
179.05577	4.5
185.11754	3.6
193.01451	0.8
203.03468	1.8
221.57045	0.7
259.07166	1.9
270.53885	0.8
271.07413	1.0
287.10458	2.9
313.08356	3.8
331.09399	2.3
347.17172	100.0
348.17560	7.6
391.11517	4.2
391.61557	1.9
392.62497	0.7
392.75339	0.7
407.10959	4.9
407.18704	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1933
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23800	0.3
58.17253	0.4
59.01266	100.0
60.01601	1.0
61.98708	0.5
69.42179	1.2
69.42593	1.4
71.01275	5.6
72.99204	0.5
73.02859	0.5
75.00769	0.4
79.36835	0.3
83.01329	0.5
85.02850	1.7
87.00798	0.5
89.02339	5.3
91.00315	0.4
95.01279	0.7
95.79617	0.3
101.02348	3.1
108.56275	0.3
113.02352	2.8
119.03412	2.7
135.04414	0.5
143.03441	0.7
151.03908	0.4
161.04501	3.3
179.05566	3.2
226.02654	0.4
347.17194	7.0
348.17526	0.7
407.19672	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1934
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01774	0.4
56.65882	0.5
58.00491	0.5
59.01267	100.0
60.01600	1.4
60.67382	0.5
61.98716	1.4
67.89430	0.4
69.57933	2.9
69.58360	0.8
71.01272	13.6
72.99211	0.5
73.02837	3.3
75.00786	0.5
83.01293	1.2
84.60919	0.4
85.02850	4.6
87.00792	1.0
89.02344	14.1
95.01317	0.8
97.02859	0.6
98.19823	0.9
99.00800	0.8
101.02353	12.2
102.78745	0.5
113.02361	6.5
119.03421	6.5
131.03470	0.5
143.03456	1.4
149.04486	0.5
156.38904	0.4
159.02921	0.9
161.04506	8.0
179.05580	5.1
185.11800	0.9
238.30681	0.5
311.11627	0.6
347.17188	31.2
348.17520	2.6
365.18198	0.6
407.19656	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1776
Annotation	Unknow
Peak:m/z	Relative Intensity
56.33591	0.4
57.03336	1.8
59.01265	100.0
60.01597	0.8
61.98730	0.5
69.03333	3.0
71.01269	4.3
71.04917	1.5
72.98503	0.5
73.02834	1.1
75.00769	2.0
83.01263	0.5
83.72057	0.4
85.02848	1.6
85.06496	0.4
87.00782	0.6
89.02346	3.3
101.02335	3.2
107.95313	0.4
111.08097	0.8
113.02359	4.0
113.06025	0.6
119.03429	1.7
123.08084	0.8
125.02349	0.5
133.02911	0.6
135.04384	0.7
137.06033	0.6
139.11220	6.8
143.03433	0.7
161.02420	1.5
161.04454	2.7
165.09132	0.8
179.03465	0.8
179.05592	0.9
180.19568	0.4
183.10233	58.1
184.10570	3.2
210.83514	0.4
221.06688	0.5
225.11359	1.4
229.54538	0.6
343.24930	1.1
345.15536	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	407.1846
Annotation	3'-Geranyl-3,4,2',4'-tetrahydroxychalcone
Peak:m/z	Relative Intensity
59.01263	100.0
64.67808	10.4
71.01270	32.2
71.60400	21.3
73.02841	13.4
75.00744	22.7
89.02332	12.8
99.53227	10.2
101.02328	25.2
105.92320	13.4
108.76139	11.1
133.02890	20.0
135.04414	22.3
161.02414	37.6
161.04431	15.0
161.47835	10.0
175.03972	11.2
190.92072	11.0
240.33861	12.5
347.17236	18.8
407.07886	24.9
407.18689	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	405.1775
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	1.4
59.01266	100.0
60.01599	1.8
69.76628	6.0
71.01271	17.3
72.50948	1.1
72.99203	1.4
73.02850	6.4
75.00771	2.0
83.01275	2.1
85.02831	6.5
87.00785	3.5
89.02345	4.3
99.00794	2.5
101.02340	10.6
111.04473	1.0
113.02359	5.9
113.06004	2.1
119.03451	1.8
127.07586	1.2
128.44907	0.8
135.04495	1.5
137.06071	1.0
137.09682	4.3
143.03488	1.7
159.02954	1.8
161.02437	2.0
161.04482	10.8
165.09178	6.1
167.62013	0.9
175.07414	1.0
179.05573	1.4
183.10236	6.7
195.24588	1.0
241.61064	1.1
243.16031	2.2
255.12405	9.4
329.11505	1.7
345.15619	59.7
346.16068	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	405.1777
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88175	0.5
55.87317	0.5
58.00486	1.8
59.01266	100.0
60.01608	1.8
61.27900	0.5
70.05143	2.7
71.01273	26.5
72.99216	1.4
73.02835	1.2
83.01321	0.6
84.44068	0.5
85.02847	3.5
87.00789	2.0
89.02339	44.4
95.01303	1.4
98.20470	0.6
101.02351	12.5
101.03017	0.8
113.02358	13.6
114.02688	0.7
114.62321	0.5
119.03424	19.6
125.02411	0.9
131.03401	2.4
142.44107	0.6
142.98897	0.5
143.03441	6.1
149.04518	2.2
161.04500	8.7
165.09123	1.1
179.05577	45.1
180.05972	2.2
183.10255	1.3
239.07748	0.8
327.14597	2.6
345.15594	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1776
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45667	0.5
58.00471	1.3
59.01266	65.1
69.61159	3.9
71.01271	19.4
72.99192	1.7
73.02824	0.7
82.14182	0.6
83.01279	0.6
85.02839	5.0
85.66360	0.6
87.00747	0.7
89.02338	24.0
95.01286	2.1
99.42394	0.7
101.02345	9.3
107.98675	0.5
113.02362	14.0
119.03420	9.9
128.11523	0.5
131.03453	1.1
139.11230	1.8
143.03433	1.9
149.04451	0.8
161.04529	4.8
167.10715	0.9
179.05582	12.9
179.10703	0.6
182.42784	0.5
183.10242	100.0
184.10564	5.8
194.94478	0.5
197.11754	4.2
198.58142	0.5
209.98421	0.5
225.11322	4.9
230.68390	0.5
243.85678	0.5
255.12439	1.2
303.39288	0.5
345.15640	1.6
373.89252	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1776
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01768	0.4
57.03339	0.5
59.01263	100.0
60.01596	1.3
61.98724	2.8
69.70582	2.4
71.01268	13.0
73.02838	2.8
75.00745	0.5
83.01300	1.3
85.02838	3.9
87.00783	0.9
89.02337	7.4
95.01305	0.9
97.02839	0.6
98.19836	0.6
99.00764	1.5
101.02345	9.7
108.66735	0.4
113.02349	6.4
113.03069	0.5
119.03418	3.1
125.02435	0.3
129.01903	0.4
131.03468	0.5
143.03442	0.9
151.03862	0.3
159.02983	1.2
160.88251	0.3
161.02470	0.5
161.04495	11.5
162.04831	0.7
179.03387	0.4
179.05589	1.2
183.10283	1.3
188.73688	0.3
205.03568	0.9
222.55536	0.3
255.12367	0.4
263.11426	1.4
345.15613	15.6
346.15771	2.1
378.89636	0.3
405.17773	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1774
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34717	0.6
55.01794	0.9
57.03340	1.0
58.00491	2.2
58.51939	0.7
59.01265	51.9
67.22253	0.7
70.99694	0.6
71.01270	27.7
72.99207	2.3
73.02840	6.4
83.01282	1.3
85.02845	5.2
87.00774	1.2
89.02338	24.3
95.01263	1.1
95.04929	1.6
98.19822	2.4
99.04465	1.4
101.02355	13.3
113.02361	7.7
119.03416	8.9
125.02463	0.7
131.03436	0.7
143.03497	1.1
151.16122	0.8
161.02429	2.0
161.04570	0.9
163.11250	4.1
179.03636	1.0
179.05553	2.4
180.05734	0.8
181.06578	1.2
181.12315	35.6
182.12671	2.4
183.10162	1.2
206.83093	0.7
225.11333	100.0
226.11635	6.3
229.59152	1.0
243.12358	2.6
258.52094	0.7
258.88013	0.8
300.87894	0.8
405.12506	2.9
405.17685	62.7
406.17920	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	404.0996
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64780	0.5
54.00841	0.4
59.01265	4.1
61.98719	100.0
66.13313	0.4
71.01258	0.9
75.00780	0.7
85.02909	0.4
93.25384	0.5
101.02338	0.4
117.03365	0.4
127.08070	0.5
134.03696	1.0
135.04454	8.7
136.04779	0.5
145.02936	0.5
150.27385	0.4
159.55016	0.4
166.09367	0.4
171.47791	0.5
179.03458	15.0
180.03766	0.5
193.38725	0.4
247.62421	0.4
268.95840	0.5
285.83035	0.5
331.15735	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1563
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03330	0.9
59.01264	100.0
60.01598	1.6
61.98712	1.9
70.59082	0.7
71.01281	1.8
71.26989	1.5
75.63632	0.7
76.56121	0.7
85.02835	1.4
89.02337	1.3
93.03371	1.2
97.06592	0.8
101.02348	1.5
101.34044	0.7
105.03378	1.0
107.04933	1.2
108.02110	0.8
109.02884	1.7
113.02352	1.1
114.11932	0.8
117.03413	0.9
117.51070	0.8
121.02873	12.6
123.04395	1.3
132.02098	4.9
133.02882	16.1
134.03511	0.9
135.04451	9.8
137.02420	1.1
145.02866	1.3
147.04411	1.4
148.05179	1.0
151.03880	1.4
161.02391	12.6
175.03938	2.1
177.01900	2.0
179.03467	5.9
188.04710	1.7
191.07246	1.0
203.07161	3.4
217.53119	0.8
219.02971	0.8
247.06172	3.2
249.73943	0.8
301.14517	1.2
333.20847	1.0
345.13446	29.7
346.13641	3.8
347.15067	19.2
348.15378	2.5
405.10477	1.0
405.16827	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1774
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58069	0.8
52.22094	0.7
58.00486	1.3
59.01264	100.0
60.01601	1.3
69.27337	8.3
71.01266	28.9
72.30886	0.8
72.99199	2.3
73.02845	0.9
78.67965	0.7
79.27270	0.7
83.01318	1.0
85.02842	4.3
87.00786	2.7
89.02338	49.0
95.01280	1.6
99.00813	0.7
101.02345	15.7
101.03002	0.9
113.02344	12.0
119.03421	20.8
125.02372	0.7
131.03453	3.3
143.03444	6.5
149.04507	2.6
161.04504	11.0
165.09171	1.4
165.98833	0.7
175.04878	0.8
175.31787	0.8
179.05573	47.7
180.05957	1.8
183.10266	2.2
191.05638	3.0
192.42342	0.9
230.18239	0.7
268.99554	0.7
271.40488	0.7
327.14737	2.8
328.87888	0.8
345.15582	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1619
Annotation	6-Deoxylamioside
Peak:m/z	Relative Intensity
50.82072	0.6
55.01762	1.4
57.03320	2.0
58.00481	3.2
59.01265	80.9
60.01605	1.2
61.98722	0.7
67.05421	0.9
68.34653	0.6
71.01270	48.3
72.99196	4.4
73.02837	3.1
75.00748	0.8
81.19941	0.7
83.01286	2.1
85.02838	8.8
87.00774	2.4
89.02336	56.5
90.23379	0.6
95.01283	2.8
97.02861	1.1
99.04410	6.6
101.02344	24.5
101.03007	1.3
111.04449	2.2
113.02354	19.6
115.07580	0.9
119.03420	22.9
120.07208	0.6
124.05231	2.2
125.02322	0.7
131.03418	1.8
133.10165	1.2
135.11714	4.9
137.09650	1.5
138.01903	1.1
139.02214	0.8
140.58900	0.6
143.03445	2.9
149.04517	1.7
161.04529	4.8
161.09641	3.0
179.05597	9.3
179.10736	44.1
180.11041	2.6
181.08658	1.4
181.90315	0.7
197.11888	0.8
223.09756	100.0
224.10074	6.6
229.55820	0.8
241.10812	1.5
323.22354	1.0
331.17587	3.9
403.15872	13.3
404.16797	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	403.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01261	72.7
61.98709	14.3
69.36485	29.5
69.36905	100.0
86.24510	13.6
141.62949	13.3
145.02934	14.8
179.58734	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	402.105
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01772	0.6
57.03342	1.1
58.00481	0.8
59.01266	30.9
60.01599	0.5
64.01810	3.5
65.00220	0.2
65.99738	2.4
66.03387	0.3
67.01773	0.2
67.11559	0.2
67.60364	0.2
68.05280	0.2
69.03345	0.7
70.44460	0.6
71.01270	19.3
72.99200	1.5
73.02837	28.2
74.03182	0.4
75.00771	0.7
81.03344	0.5
83.01278	5.7
85.02846	2.2
87.00781	1.6
89.02341	3.2
92.01320	0.3
94.02878	1.2
95.01274	1.0
97.02846	0.6
99.00799	0.7
99.04408	0.2
101.02351	14.8
102.02692	0.6
106.02875	1.3
107.01276	0.3
109.02850	0.3
113.02360	3.1
113.06003	0.6
118.02895	0.3
119.03434	1.1
121.01669	0.2
121.02855	0.5
122.02404	2.1
122.03655	2.7
123.00854	0.4
123.03152	0.6
123.08086	0.3
124.04015	0.5
125.02380	0.8
131.03439	0.8
133.01694	0.3
133.02879	0.3
134.02412	4.1
135.04399	0.3
136.03990	0.3
137.02383	0.8
137.09641	0.7
141.01855	0.2
141.09087	0.4
143.03452	0.3
147.03238	0.4
147.04445	0.2
149.02376	1.6
150.01953	3.3
150.03157	34.3
151.03560	1.0
152.03474	0.8
153.09155	0.4
154.02676	0.3
161.04465	1.3
162.01907	4.0
163.02596	0.3
163.11241	0.3
164.03505	1.4
164.07050	0.2
165.09164	0.9
175.07451	0.2
177.09341	0.2
177.12808	0.3
179.02173	0.7
180.02994	10.2
181.03404	0.4
182.04524	0.2
187.11224	0.7
189.38235	0.2
193.12405	0.4
195.10271	0.3
196.10539	0.2
198.04073	0.9
205.12340	1.6
206.08139	0.3
223.13400	3.2
240.09583	0.3
241.14520	0.3
251.87846	0.2
309.23340	0.2
342.08575	0.3
343.13980	0.3
360.09442	8.1
361.09653	0.5
401.62436	0.3
402.10507	100.0
403.10849	9.7
403.18970	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.0961
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	5.1
61.98713	3.0
69.44801	0.5
70.86086	1.2
72.99197	0.6
85.05544	0.5
87.00774	2.9
98.19933	0.6
102.05481	0.9
109.03111	0.5
119.04942	57.3
120.05271	2.5
121.02881	0.9
129.72856	0.5
136.31076	0.5
145.02893	2.0
161.04401	0.6
163.03952	100.0
164.04295	4.2
170.82251	0.6
179.92706	0.6
248.71783	0.5
367.11920	40.8
368.12259	4.3
403.17786	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2341
Annotation	Macrolactin K
Peak:m/z	Relative Intensity
50.66519	0.2
56.94560	0.2
70.45190	0.8
92.80756	0.2
117.03381	17.0
117.60648	0.2
118.03667	0.5
119.04931	3.5
120.05313	0.2
121.02869	2.6
123.04446	0.6
133.02823	0.3
145.02890	80.0
146.03227	3.3
147.04404	0.2
162.03169	0.7
163.03952	2.3
164.30499	0.2
401.23410	100.0
402.23755	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	401.234
Annotation	Macrolactin J
Peak:m/z	Relative Intensity
59.01259	0.6
71.01270	0.3
71.58018	0.2
71.58434	0.4
80.53313	0.2
81.72918	0.2
87.04406	0.3
89.02332	0.3
89.03858	0.2
93.03381	1.2
95.01282	0.5
95.04919	0.6
97.51089	0.2
100.42365	0.2
101.02335	0.3
105.03352	0.5
108.02063	0.6
117.03378	54.0
118.03603	0.9
118.04179	2.2
119.04955	4.0
120.05282	0.3
121.02872	57.6
122.03214	1.9
123.04440	18.7
124.04787	0.7
132.02136	0.7
133.02879	12.4
134.03688	5.4
142.15939	0.2
145.02879	4.3
145.03928	0.4
146.03235	0.3
149.02385	1.0
162.03172	21.0
163.03961	4.8
172.08899	0.8
189.99641	0.2
192.30336	0.2
242.81697	0.2
258.97000	0.2
269.19150	0.3
276.90955	0.2
313.07343	0.3
322.55133	0.2
341.10895	0.5
357.06119	0.2
357.24405	1.0
401.23407	100.0
402.23743	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	401.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01770	0.6
57.03339	10.8
58.00467	0.8
59.01267	23.8
66.37180	0.5
69.03345	1.2
71.01276	16.7
71.55886	0.5
71.56351	1.0
72.99200	1.4
73.02848	4.0
75.00762	1.0
81.03352	1.2
83.01292	1.8
83.04914	0.9
85.02850	6.4
87.00768	1.4
88.98734	0.6
89.02338	7.3
89.63931	0.5
95.01283	1.3
95.04935	1.1
97.02858	1.8
97.06468	0.7
99.00786	2.0
101.02353	9.4
102.02671	0.6
107.04951	1.3
108.02115	1.4
109.02866	1.0
109.06535	0.9
111.00871	0.6
113.02363	7.3
119.03443	2.4
119.04938	1.6
120.87299	0.5
121.02914	1.1
121.06517	14.8
122.03712	0.5
123.04444	1.4
123.07248	0.8
123.08067	4.5
131.03423	0.6
131.08609	2.6
133.06508	3.7
133.10138	0.6
135.04448	4.1
135.08109	3.3
137.06026	1.6
137.09605	0.5
139.07520	0.6
141.09164	1.2
143.03505	0.9
144.05748	12.0
145.06143	0.7
147.04524	0.7
147.08119	1.1
148.05202	0.9
149.06056	1.1
149.09665	30.0
150.03130	1.4
150.10001	1.5
151.03897	0.6
151.07611	7.8
151.11214	0.9
153.01848	0.7
153.09203	1.0
159.02914	0.9
159.08119	10.6
160.08714	1.2
161.04504	7.2
161.06030	5.4
161.09637	2.9
162.06802	0.8
163.07599	5.8
165.09164	2.1
173.09714	2.1
175.11249	1.8
177.01900	1.0
177.09180	100.0
178.09517	6.5
179.07109	0.7
179.10718	7.6
185.09717	0.8
187.07626	1.9
188.08397	7.2
191.05542	0.8
191.07111	1.2
191.10751	2.9
193.12360	1.8
195.10214	1.1
203.10771	23.8
204.11130	2.2
205.08694	5.4
206.09471	7.1
209.11906	0.9
221.11838	66.2
222.12241	5.2
239.09264	1.7
239.12921	18.8
240.13226	1.9
299.11395	0.9
341.12225	0.7
387.51233	0.5
400.62140	1.1
401.14249	0.6
401.18423	7.0
402.10690	3.7
402.18701	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1827
Annotation	Glochidionionoside A
Peak:m/z	Relative Intensity
53.87601	0.4
55.01775	4.2
57.03339	4.7
58.00477	1.7
59.01266	41.7
60.01597	0.6
69.67854	2.4
71.01271	34.0
72.01639	0.6
72.99194	1.7
73.02835	8.0
83.01280	6.9
84.02103	0.4
85.00908	0.3
85.02847	14.9
85.03362	0.8
85.99989	1.1
87.00767	1.9
89.02343	12.6
95.01307	3.1
98.20511	0.9
99.00782	3.8
101.02349	22.5
107.04916	1.4
113.02357	11.7
114.02758	0.4
119.03425	4.0
123.08081	4.0
129.01851	0.8
130.37639	0.4
131.03461	0.4
135.04527	0.4
143.03362	0.5
149.75812	0.3
151.11267	0.6
159.03003	0.5
161.04489	2.5
161.09673	1.1
165.15924	0.4
177.12799	7.7
177.14265	0.6
195.13898	3.1
221.11827	4.4
222.12022	0.5
239.12932	0.4
350.70770	0.5
401.18265	100.0
402.10666	0.6
402.18619	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	401.1827
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00990	3.4
59.01266	46.6
61.98713	8.9
62.16714	2.0
64.41395	1.7
71.01268	22.8
71.57581	3.4
72.99226	2.3
73.02843	19.8
85.02842	5.7
87.00797	3.5
89.02345	11.8
90.40183	2.0
96.13385	2.2
97.06514	2.5
101.02342	18.5
113.02361	4.5
119.03438	4.2
120.50500	1.9
121.02877	85.6
122.03173	3.0
133.02844	2.5
135.04439	2.5
153.12778	5.5
161.02422	4.6
161.04510	26.8
172.68176	2.1
179.05522	4.8
181.06517	4.8
197.11777	5.6
223.04666	2.0
225.05516	6.1
313.07263	20.4
314.07605	3.6
315.18198	100.0
316.18460	8.8
327.21820	5.2
341.11047	12.6
357.06143	6.2
400.19934	2.0
401.08865	26.0
401.21451	2.3
401.27170	2.5
402.09259	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	401.1462
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	100.0
60.01602	1.5
61.23844	0.3
61.98726	0.9
67.84464	0.3
68.60777	0.3
70.70229	0.3
71.01285	1.2
71.36610	0.6
71.36944	0.3
73.02840	0.6
86.56519	0.3
89.02347	0.4
97.23633	0.3
101.02347	0.8
106.04172	1.1
108.02077	0.3
110.30265	0.3
113.02383	0.5
119.04957	1.3
135.04437	0.5
137.06012	35.3
138.06355	1.3
151.07579	0.3
153.05559	1.1
163.04060	0.4
179.07207	0.4
203.10840	0.6
221.11765	0.4
346.71600	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1463
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07351	0.4
59.01264	100.0
60.01603	1.2
62.62194	0.5
65.34219	0.4
70.88902	1.7
71.01279	1.6
73.02838	1.9
76.87011	0.5
83.01284	0.6
85.02847	0.5
89.02367	1.9
90.13411	0.5
94.64948	0.5
99.86213	0.5
101.02347	2.1
109.83628	0.5
113.02364	0.9
119.03461	1.0
135.04459	5.2
137.06015	1.2
146.03668	16.9
161.04683	1.1
161.06032	7.7
162.06444	0.7
163.24557	0.5
164.04739	13.3
164.30374	0.5
165.05083	1.0
179.07101	59.4
180.07425	3.7
262.66846	0.5
288.17480	0.6
315.10956	3.3
357.12051	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	401.1461
Annotation	Benzyl alcohol beta-D-xylopyranosyl (1->6)-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
51.04519	0.5
53.35040	0.5
55.01775	3.9
57.03326	2.9
58.00434	2.1
59.01263	39.3
59.01537	1.6
60.01566	0.7
68.99668	0.7
69.03321	1.0
70.93578	1.4
70.93934	0.7
71.01270	59.1
72.01570	1.0
72.99200	3.8
73.02835	28.4
75.00720	1.3
81.03291	1.0
82.09229	0.7
83.01281	10.4
85.02842	26.4
87.00774	4.3
89.02337	14.4
95.01289	4.5
97.02836	1.7
97.96623	0.5
99.00185	0.6
99.00775	8.4
101.02344	44.5
102.02646	0.7
107.02028	0.6
107.04922	0.7
108.51794	0.5
112.01546	0.7
113.02352	21.7
114.02628	0.8
119.03383	2.1
123.04386	1.0
125.02297	2.4
129.01820	0.9
131.03397	2.2
133.02797	0.7
135.04474	2.8
135.08122	0.6
137.02327	0.8
143.03484	2.9
149.04462	0.8
150.03111	1.0
151.03951	1.0
159.02971	4.9
161.02339	1.5
161.04492	40.9
162.04813	1.3
165.01884	1.1
177.01834	1.8
179.03450	1.2
179.05522	2.4
179.07025	1.3
195.06516	1.3
195.10139	1.7
205.03593	1.4
239.09271	2.8
269.10355	100.0
270.10690	8.5
313.09433	0.7
341.10934	0.6
400.62027	2.7
401.14670	28.5
401.62704	0.7
402.10693	3.7
402.14713	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	401.1463
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03337	1.0
59.01266	100.0
59.64732	0.5
60.01592	1.2
65.78877	0.5
66.70430	0.5
69.70010	1.1
69.70420	2.3
69.92778	0.5
70.71173	0.5
71.01274	8.4
72.99213	2.6
73.02855	1.8
75.00774	0.9
78.89430	0.5
83.01286	0.8
85.02858	3.2
87.00784	1.6
89.02359	4.6
93.03377	2.8
98.19820	0.7
101.02340	3.4
108.60455	0.6
109.02885	1.2
111.04432	1.1
113.02381	1.5
119.03446	1.0
119.05033	0.6
123.04474	0.7
125.02359	0.9
127.03935	0.7
135.04468	4.6
137.02423	1.6
137.06041	2.2
146.03671	16.7
146.04823	1.0
147.04114	1.0
151.04034	1.0
153.01875	1.8
153.05447	0.6
161.04701	1.0
161.06003	5.6
164.04750	12.7
165.01871	1.4
165.05324	0.8
167.62497	0.6
173.04544	1.3
179.07098	58.5
180.07463	3.4
181.05078	0.7
190.99831	0.9
191.05585	17.2
192.06003	0.9
208.99246	0.6
209.00996	2.3
243.54408	0.6
247.04794	0.6
248.35504	0.6
315.11008	2.0
357.12134	1.1
359.08588	0.5
401.11041	1.6
402.10831	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1307
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14901	1.6
55.01791	2.0
59.01264	55.0
65.55817	1.4
68.51175	1.4
71.01266	28.8
71.57552	1.5
72.99208	7.5
73.02836	5.4
75.00739	1.5
83.01286	1.5
85.02834	20.5
87.00777	25.6
89.02335	24.5
93.03360	5.2
93.38649	1.6
95.01254	1.7
99.00797	2.8
101.02347	11.9
102.36655	1.4
111.00743	1.9
112.98721	2.2
113.02352	9.9
119.03425	8.7
127.03881	3.0
129.01820	1.8
131.04968	3.9
135.04477	6.7
137.05978	6.0
160.77997	1.4
161.02386	2.5
161.04491	3.5
163.03951	5.5
164.04724	6.0
165.05521	2.1
166.02663	5.5
176.04749	1.7
178.06297	3.3
179.03439	4.2
179.05565	14.9
179.07106	8.0
181.04968	2.4
191.03624	5.3
191.05576	100.0
192.04295	1.8
192.05942	3.0
193.04997	1.5
203.03398	1.9
209.08215	2.1
219.02931	3.1
219.06581	1.8
234.05319	2.1
265.07211	17.7
266.07669	1.6
267.07297	4.6
277.07272	4.8
294.09122	1.5
295.08337	17.2
315.10931	6.9
341.10974	51.5
342.11288	4.8
355.10309	5.3
357.12003	3.4
401.10965	57.5
402.11331	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	401.1099
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90418	0.8
55.01771	1.2
57.03334	2.2
59.01267	48.6
68.99721	1.0
69.03339	1.3
69.51810	7.3
71.01270	18.3
72.99196	4.3
73.02834	2.8
75.00768	14.8
83.01264	1.1
85.02845	21.5
87.00767	7.0
89.02341	5.9
90.45793	0.8
91.03928	1.4
92.22855	0.8
93.03354	3.4
95.01296	5.9
99.00786	9.0
100.60178	1.1
101.02364	2.1
103.00267	2.8
103.03815	0.9
106.04153	1.7
107.04951	11.4
108.02068	3.4
109.02865	1.8
111.00744	1.2
111.04402	0.9
113.02361	27.2
114.02722	1.2
115.00291	3.0
117.01855	3.1
119.03510	0.9
121.02887	2.9
123.04467	5.0
129.01843	2.7
131.03448	0.9
133.02892	7.2
133.49794	0.8
134.03185	0.8
135.04414	1.4
137.06036	21.4
146.03664	2.3
150.12042	0.8
151.02837	1.3
151.03970	18.1
152.04236	1.1
153.01877	0.9
161.05981	1.2
164.04761	1.4
170.03305	0.8
173.04530	1.0
175.02417	2.4
179.07079	6.3
188.38062	1.0
189.03900	0.9
191.05609	9.6
207.05246	1.1
225.07661	1.9
231.05054	2.1
249.06216	24.1
250.06497	1.8
267.07272	46.0
268.07516	1.8
353.83176	0.8
378.47025	1.1
383.10147	1.7
401.10968	100.0
402.11401	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	401.1099
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82283	2.0
58.44690	1.9
59.01262	25.0
60.15159	2.0
70.61894	6.7
71.01269	9.2
73.02856	3.7
77.26912	2.5
85.02834	5.0
87.00781	45.6
89.02338	4.3
101.02379	3.8
107.02811	2.5
111.72287	2.1
113.02380	4.1
123.00797	5.1
123.37757	1.9
129.15649	2.5
135.04437	3.1
137.06065	5.0
138.55975	2.0
146.03572	2.2
146.55917	2.5
149.02354	3.0
150.03076	2.0
151.03946	3.4
161.02437	6.8
163.03981	12.6
164.04750	7.0
165.05467	4.1
166.02686	4.3
167.26251	2.0
175.03885	3.1
176.04764	7.3
177.01926	2.8
178.06351	15.0
179.03500	4.8
179.05647	3.3
179.07100	26.6
181.05005	7.9
187.03867	2.3
191.03519	11.9
191.05458	4.1
191.07111	5.5
193.05089	6.4
193.08707	3.5
194.05798	6.2
203.03484	3.1
204.04315	2.8
205.05093	5.8
206.05777	6.7
209.08159	7.6
218.05855	4.0
219.03035	2.1
221.04558	5.2
221.08162	6.1
234.05331	5.6
237.07729	4.2
238.04733	2.8
247.02438	5.4
247.06184	3.3
249.07721	5.3
250.05005	2.2
251.09314	5.4
261.07898	2.8
262.04892	9.0
265.07254	55.5
266.07651	3.3
267.07159	3.3
277.07294	24.5
278.07474	4.5
295.08307	57.1
296.08551	3.8
341.10904	5.9
355.10352	20.3
383.10104	7.0
401.10977	100.0
401.27054	3.0
402.11520	9.9
415.34579	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.2185
Annotation	Episamarcandin
Peak:m/z	Relative Intensity
59.01279	0.5
69.29879	1.6
69.30302	0.6
71.01221	0.2
79.86712	0.2
117.03403	0.6
119.04942	0.4
121.02880	2.2
123.04350	0.2
132.02116	0.4
133.02884	19.5
134.03725	3.3
135.04459	7.7
136.04755	0.4
137.02377	3.2
139.03954	1.0
143.57304	0.2
145.02905	1.2
150.03163	0.3
161.02391	61.8
162.02748	3.2
163.03949	0.4
178.02679	1.1
179.03473	4.3
180.03728	0.2
219.13866	0.5
273.01654	0.2
360.57303	0.3
399.21857	100.0
400.22192	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	401.1093
Annotation	Apodanthoside
Peak:m/z	Relative Intensity
50.87068	0.9
55.01761	1.5
57.03331	2.1
59.01265	26.7
68.99698	1.7
69.03339	1.2
71.00900	1.6
71.01272	25.7
71.57591	0.8
71.57998	1.0
72.99198	10.3
73.02835	7.0
73.60466	0.7
75.00755	1.6
81.03347	1.1
83.01275	1.7
83.34178	0.8
85.02839	16.5
87.00773	66.6
88.01112	1.4
89.02330	14.9
93.03348	3.4
95.01268	1.2
97.02846	2.2
99.00777	2.9
99.04411	1.1
100.09132	0.7
101.02338	10.8
103.00266	1.7
104.77260	0.8
107.04942	1.1
108.02036	1.1
109.02850	3.1
111.00745	1.1
111.04458	1.1
112.98721	1.8
113.02357	8.1
119.03423	6.2
121.02859	2.2
122.57139	0.9
123.00799	2.0
124.01622	0.9
127.03931	2.8
129.01865	1.3
131.03409	1.9
131.04965	4.7
133.02821	0.9
135.04460	6.6
137.05965	1.3
138.03188	1.1
143.03467	1.1
147.04509	1.4
148.29010	0.7
149.02374	3.4
149.04530	1.3
149.05978	1.1
151.00298	5.0
151.03873	2.0
152.01085	0.9
153.01945	1.0
153.05507	1.6
161.02350	4.7
161.04504	1.5
163.03990	10.0
164.04723	11.9
165.05464	3.4
166.02678	11.4
166.06317	0.9
173.00841	1.5
173.02271	1.2
175.03952	1.9
175.06215	0.8
176.04741	5.0
177.01843	3.4
177.05495	2.5
178.02708	0.8
178.06305	7.3
179.03499	9.9
179.05528	5.6
179.07092	19.1
180.07475	1.1
181.05032	15.0
187.04007	2.5
189.01881	1.5
190.02748	1.0
191.03516	9.8
191.05579	58.8
191.07112	4.0
192.04269	2.7
192.05826	1.5
193.05008	4.9
193.08612	1.1
194.05820	7.6
202.06561	0.9
203.03424	3.8
204.04132	1.2
205.01443	1.1
205.05069	5.1
206.05792	4.1
207.03084	1.4
207.06639	1.1
209.08192	9.1
218.05898	1.5
219.02948	2.5
221.04584	1.9
221.08163	3.1
222.05324	1.2
231.02919	1.9
234.05345	2.2
235.06107	1.9
236.07104	1.0
237.07666	3.7
238.04843	1.1
246.05441	1.1
247.02504	3.0
247.06140	1.6
249.07735	4.3
250.04826	1.8
251.09361	1.6
261.07693	1.3
262.04904	3.8
265.07227	36.8
266.07431	2.5
267.07239	1.9
272.91855	0.9
277.07263	10.2
279.08847	1.3
291.08688	1.2
293.10608	1.0
295.08273	24.2
296.08755	1.6
315.10934	3.4
325.09341	4.5
341.10971	21.9
342.11234	1.9
355.10422	7.7
357.12155	2.0
364.76959	0.9
383.09943	3.0
401.10968	100.0
402.11197	11.6
416.53592	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1306
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01769	2.1
57.03337	1.2
58.00474	1.1
59.01264	22.1
61.98727	0.5
69.03352	0.5
71.01270	23.6
71.59899	0.6
72.01623	0.5
72.99210	2.0
73.02836	16.9
83.01276	4.8
84.02050	0.4
85.02844	11.0
85.99203	0.4
85.99994	0.5
87.00789	2.8
89.02337	7.1
89.02843	0.7
89.05951	0.5
93.03361	0.5
95.01295	1.7
97.02861	1.3
99.00772	3.1
101.02347	27.3
102.02720	0.6
111.00741	0.7
113.02364	9.0
119.03414	3.7
121.02876	12.2
122.03156	0.6
123.04453	0.6
125.02399	0.7
129.01787	0.6
133.02858	1.0
135.04453	2.8
137.02405	0.5
143.03444	1.5
149.02406	3.0
150.03162	1.7
151.03894	0.9
159.02942	1.4
161.02513	2.6
161.04495	25.6
162.04855	0.8
165.01881	1.1
177.01947	0.5
177.05574	0.5
179.03442	2.5
203.03506	1.3
205.03571	0.9
221.04483	0.5
229.08583	0.4
237.07643	0.4
251.11389	100.0
252.11737	5.5
318.08481	2.2
318.58920	3.2
319.09332	3.3
352.83264	0.4
399.12967	13.1
400.13089	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	399.1304
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01774	1.7
56.55469	0.2
57.03336	1.2
58.00484	0.9
59.01263	20.2
60.01611	0.3
69.03349	0.4
71.01270	19.7
71.54884	0.4
72.01629	0.3
72.99204	1.4
73.02835	16.3
75.00770	0.5
83.01277	3.9
85.02844	8.9
87.00771	2.2
87.04380	0.2
89.02338	6.6
89.05981	0.4
93.03362	0.5
95.01298	1.4
95.03848	0.3
96.95856	0.2
97.02856	1.1
99.00777	2.5
101.02344	26.2
102.02704	0.6
102.21077	0.2
110.79570	0.2
111.00789	0.4
113.02356	6.8
119.03422	4.6
119.04828	0.2
121.02873	9.9
122.03156	0.5
125.02348	0.4
129.01881	0.4
131.03447	0.2
133.02913	0.7
134.03693	0.3
135.04465	1.9
137.02399	0.7
143.03412	0.8
149.02373	1.9
150.03090	0.8
151.03969	0.9
159.02937	0.9
161.02530	2.4
161.04503	23.0
162.02710	0.2
162.04808	0.7
165.01939	1.4
175.03854	0.3
177.01929	0.4
177.05585	0.3
179.03459	2.2
179.05588	0.4
203.03465	0.9
205.03593	0.2
221.04649	0.3
237.07648	0.2
239.05682	0.4
251.11392	100.0
252.11702	6.1
269.10324	0.3
318.08612	1.8
318.58911	2.1
319.09335	3.0
335.83563	0.2
341.08649	0.2
399.12982	12.4
399.61609	0.3
400.13116	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.2019
Annotation	Praealtin B
Peak:m/z	Relative Intensity
57.77062	0.7
59.01264	4.7
59.42294	0.6
61.98703	2.4
63.99151	0.6
64.83158	0.6
66.10320	0.7
69.54268	5.2
74.36241	0.7
80.91565	1.5
83.04903	0.8
93.03384	0.8
101.40704	0.6
105.19772	0.6
106.04163	1.3
111.00800	1.0
117.03379	6.6
119.04943	10.1
121.02896	6.1
123.04424	0.8
133.02882	13.3
133.06523	2.8
134.03670	18.6
135.04449	28.8
136.04813	1.8
137.02382	21.0
139.03931	6.7
145.02884	57.9
146.03241	5.2
146.69156	0.8
147.03432	0.8
149.02426	0.8
150.03178	1.8
151.11147	0.8
153.19263	0.6
153.44920	0.7
161.02386	20.3
162.02992	1.7
163.03996	4.9
164.77345	0.6
169.12349	0.8
169.45877	0.7
178.02669	8.1
179.03473	23.2
180.03860	1.0
198.51358	0.6
217.00305	2.8
225.90723	0.6
251.11493	0.6
266.28638	0.6
313.14630	0.9
315.16071	74.9
316.16434	8.3
347.34720	0.6
353.21301	1.7
397.20285	100.0
398.15344	1.0
398.20581	13.6
405.94714	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43969	1.3
59.01257	4.9
59.78796	1.4
76.61272	1.2
79.57264	1.2
79.95633	1.8
80.36810	1.3
93.44581	1.2
96.95914	11.3
108.18547	1.5
119.04974	2.3
127.77021	1.5
128.86388	1.3
130.04219	1.5
133.06522	3.5
133.29187	1.5
158.03662	7.6
175.03979	1.8
185.09669	4.0
187.11206	2.6
197.09717	1.8
199.11223	2.1
209.06105	4.2
210.06912	2.2
213.09184	36.4
214.09500	1.9
225.09268	15.1
285.74255	1.7
315.16159	3.9
344.16306	1.8
367.22864	69.9
368.23306	8.8
379.22855	46.2
379.27475	2.8
380.23328	7.6
397.23862	100.0
398.24261	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	398.0739
Annotation	Unknow
Peak:m/z	Relative Intensity
58.38882	0.7
59.01259	4.0
64.01810	41.8
65.00209	4.1
65.99737	4.1
67.01781	2.3
71.01270	1.9
72.99172	0.8
73.02816	1.2
85.02847	13.8
87.00791	3.5
89.85813	0.8
93.03374	6.6
94.02891	3.3
95.01283	3.3
96.04500	0.7
104.02589	1.1
105.02132	1.9
105.03359	1.4
106.02903	2.2
107.01299	15.6
109.02874	1.0
111.04441	2.3
122.02407	2.5
122.92575	0.8
123.00819	1.8
127.03923	3.4
133.01631	6.5
133.02875	8.7
134.02365	2.0
134.03392	0.7
135.04430	3.2
136.00354	0.7
148.01605	1.3
149.02335	1.0
150.01921	4.8
151.00273	0.9
151.02271	0.7
152.33835	0.9
161.01057	0.9
161.02342	1.6
162.01915	2.0
171.02956	0.9
173.04506	3.3
176.01088	5.9
177.01917	4.3
177.05586	0.7
178.01405	5.8
179.03363	1.6
191.05589	98.9
192.05925	3.8
206.00945	100.0
207.01228	5.6
215.05522	1.0
224.02054	5.8
237.11354	0.9
307.00262	0.7
351.07336	6.5
352.07831	1.4
398.07367	72.6
399.07541	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	398.0738
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42433	0.4
55.80787	0.4
57.83984	0.4
59.01258	2.9
60.45246	0.5
61.98718	29.0
63.37607	0.4
63.57075	0.4
64.01809	21.2
65.00202	1.6
65.96867	0.4
65.99738	1.7
67.01781	1.4
69.54070	3.7
71.01275	2.1
72.99198	0.8
73.02838	0.9
81.03358	0.7
83.04926	0.6
85.02842	12.7
86.03163	0.4
87.00771	2.8
89.02351	0.8
93.03349	5.9
94.02901	2.4
95.01296	1.5
100.08308	0.5
101.02337	0.6
105.02096	0.5
106.02873	1.7
107.01301	8.7
107.01974	0.3
109.02868	1.6
111.04424	2.5
113.02337	0.7
114.30658	0.5
121.02855	0.6
122.02395	1.3
123.00792	1.1
123.04413	0.4
125.02367	0.8
127.03915	3.1
129.81670	0.5
133.01674	3.4
133.02766	2.7
134.02441	0.9
134.03629	0.9
135.00877	0.4
135.04453	19.3
136.00342	0.6
136.04807	1.1
137.02380	1.9
145.84026	0.5
148.01552	0.6
149.02359	0.8
150.01892	3.6
151.00366	0.7
151.03966	0.6
155.03452	0.5
161.02382	6.6
162.01848	1.3
163.56061	0.4
165.00690	0.7
171.02963	1.0
173.04562	2.9
176.01093	4.0
177.01846	1.1
178.01411	3.4
179.03461	22.0
180.03839	1.2
191.05585	100.0
192.05910	4.8
195.06596	0.4
203.03470	0.7
206.00940	87.7
207.01289	5.6
224.02028	5.1
307.08435	0.5
335.07800	20.1
336.08136	2.2
351.07422	1.0
398.07358	29.3
399.07495	3.2
399.16617	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1637
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38740	0.3
59.01257	1.7
60.92916	0.3
61.98720	1.5
66.83067	0.3
71.18915	0.3
71.57796	0.4
78.56782	0.3
93.03321	0.3
95.30276	0.3
96.95929	0.3
117.03371	10.8
118.04234	0.4
119.04945	5.8
120.05289	0.4
121.02882	3.4
123.04436	0.8
133.02876	1.0
133.06520	0.7
134.03673	1.4
135.04454	0.3
137.02386	1.4
139.03929	0.7
145.02885	63.8
146.03232	2.8
161.02411	0.9
162.03149	1.3
163.03951	3.6
178.02661	0.6
217.00229	0.6
232.73276	0.3
315.16071	100.0
316.16397	11.8
369.17029	0.3
397.20285	7.5
398.20633	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	100.0
60.01598	1.1
69.25013	2.6
71.01295	0.6
72.91904	0.2
73.02841	0.9
77.39619	0.2
98.19823	0.5
101.02387	0.3
107.04997	0.2
107.22677	0.2
132.05704	0.3
133.06522	19.4
134.06865	1.0
135.04448	10.3
135.05247	0.2
136.04814	0.5
149.06012	0.5
150.87987	0.2
163.03954	63.1
164.04306	2.7
178.06313	46.4
179.06670	2.9
184.61989	0.2
193.08678	53.9
194.09035	3.6
229.39377	0.2
283.42743	0.3
336.37817	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1637
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	1.0
61.98706	0.7
70.46383	1.2
80.91566	0.4
86.31123	0.3
113.04463	0.3
117.03371	7.1
119.04942	42.5
120.05242	2.0
121.02892	1.5
123.04389	0.4
133.02847	0.4
133.06503	0.6
135.47264	0.3
139.11247	0.5
145.02887	46.8
146.03221	2.6
162.03151	0.9
163.03972	4.6
168.62503	0.3
169.12302	0.6
191.32797	0.3
315.16068	100.0
316.16409	10.6
397.20361	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01256	0.6
68.70468	0.3
70.50142	1.0
80.23512	0.3
105.55637	0.3
108.02089	0.4
114.64016	0.3
122.03647	0.4
123.04397	0.3
147.04465	1.1
148.05228	1.8
149.06020	100.0
150.03175	1.2
150.06367	5.4
152.99524	0.3
188.34235	0.3
192.06592	1.2
193.07007	1.7
310.77811	0.3
343.93420	0.4
353.12457	0.8
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
55.73679	0.3
59.01258	0.9
59.62983	0.3
67.45977	0.3
70.73388	1.0
70.73809	0.4
82.01424	0.3
93.03366	1.4
117.03378	16.7
118.03698	0.6
119.04943	90.0
120.05270	3.5
121.02855	2.9
123.04424	0.8
127.03932	0.6
131.04988	0.4
135.04422	0.4
143.04982	0.5
145.02890	47.5
145.06555	0.9
146.03235	2.2
162.03174	0.4
163.03960	100.0
164.04283	4.1
189.09140	0.4
233.08189	8.0
251.09300	2.4
251.11435	0.4
256.32803	0.4
378.61118	0.4
397.13000	71.1
398.13306	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	397.1302
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13347	0.3
53.68052	0.3
57.26155	0.3
59.01258	1.0
70.65757	0.5
83.04912	0.6
93.03358	1.7
93.47996	0.3
97.02860	0.5
106.26584	0.3
107.28461	0.3
117.03375	11.2
118.03658	0.4
119.04945	85.1
120.05281	4.1
121.02877	2.8
123.04412	0.7
127.03936	0.6
132.05707	0.6
133.02895	0.5
133.06563	0.6
134.15822	0.3
135.04428	0.4
145.02884	30.3
145.06520	0.6
146.03239	1.7
149.93915	0.3
162.03197	0.6
163.03957	100.0
164.04298	4.4
170.23949	0.3
171.08156	0.5
189.09132	0.5
212.08376	0.3
222.11552	0.3
233.08185	8.1
234.08582	0.6
251.09271	2.4
277.07101	0.4
331.57904	0.3
370.93860	0.3
397.13000	70.3
398.13324	8.5
407.32275	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.0997
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03338	0.6
59.01254	1.9
63.38524	0.5
64.37936	0.6
67.01762	0.5
71.01270	0.6
71.58849	1.1
72.99197	0.8
73.02854	0.9
78.95800	3.0
84.02055	3.9
85.02847	10.4
87.00772	1.6
93.03355	2.6
96.95892	0.6
96.96860	9.1
99.04418	2.8
109.02850	0.8
127.03905	1.5
161.04492	2.3
173.04517	1.4
191.05576	100.0
192.05923	4.8
199.09778	0.6
205.03497	6.1
255.70383	0.6
371.84778	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	1.0
68.27276	0.5
69.44434	4.0
75.68563	0.4
122.03620	0.5
140.21095	0.4
147.04498	1.0
148.05232	1.4
149.06023	100.0
150.03191	1.2
150.06372	5.5
192.06662	0.8
193.06931	1.1
209.25638	0.4
231.22055	0.5
234.06174	0.4
254.33499	0.4
301.42368	0.6
326.00607	0.4
353.12671	1.1
363.12552	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01264	0.7
61.98721	2.5
71.59061	0.7
72.71181	0.4
100.45597	0.4
117.03383	26.3
118.03681	1.0
119.04948	41.7
120.05267	1.9
121.02880	3.2
123.04451	1.4
132.05867	0.4
133.02885	0.8
140.46301	0.4
145.02888	100.0
146.03236	4.9
162.03212	0.4
163.03957	29.7
164.04285	1.3
170.55772	0.4
171.99020	0.4
179.03560	0.4
185.35249	0.4
200.14041	0.4
200.23230	0.4
213.89774	0.5
231.10262	5.4
249.11360	20.6
250.11780	1.3
280.94574	0.4
291.81088	0.5
313.14554	5.1
313.17978	0.6
395.15088	86.3
396.15399	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	395.1509
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01264	0.8
61.98718	46.5
62.98410	1.0
69.70130	3.6
76.75464	0.5
93.03340	0.8
104.49914	0.5
111.15127	0.6
111.25843	0.5
117.03380	28.7
118.03709	0.7
119.04950	38.3
120.05294	1.7
121.02895	3.8
123.04447	0.8
133.02884	1.6
135.04395	0.6
145.02892	100.0
146.03217	4.9
148.24164	0.7
161.02377	1.8
162.02841	2.0
163.03967	23.5
164.04311	1.7
179.74908	0.6
199.05272	0.6
210.48465	0.5
212.24852	0.6
231.10281	4.9
249.11354	17.6
250.11668	1.3
299.55042	0.5
313.14545	15.9
314.14944	1.9
332.15915	8.4
349.71393	0.6
395.15112	77.9
396.15543	9.9
396.20480	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1931
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	1.4
58.91798	1.2
59.01266	62.9
60.05045	1.3
61.98706	5.5
71.01269	29.0
71.06850	3.2
71.07205	1.7
72.99195	3.7
73.02841	9.1
75.00743	1.8
77.41498	1.4
83.01284	2.8
85.02839	5.8
87.00764	1.7
89.02334	20.9
95.01286	2.2
99.00749	2.7
101.02345	21.2
113.02354	12.9
119.03413	11.3
119.04924	4.2
133.00952	1.4
143.03424	1.7
159.03009	2.1
159.81221	1.5
161.04486	11.5
179.05496	4.3
182.70416	1.7
187.13309	3.8
187.75726	1.4
191.05621	2.9
194.46513	1.3
267.61929	1.3
293.16144	29.9
294.16364	1.9
335.17215	2.3
349.18750	100.0
350.19101	9.7
357.11804	1.5
395.19244	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	395.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98412	0.3
61.98709	3.1
68.96157	0.2
71.58076	0.2
71.58479	0.3
78.95794	0.2
82.46555	0.2
84.84118	0.2
90.83588	0.2
93.03364	0.5
117.03374	27.9
118.03609	1.3
119.04942	43.3
120.05293	2.1
121.02878	3.5
122.03201	0.3
123.04458	1.1
133.02884	1.4
134.03650	0.4
145.02885	100.0
146.03215	5.8
147.04448	0.4
162.03159	0.7
163.03952	31.1
164.04306	1.9
165.04532	0.3
177.71159	0.2
222.83783	0.2
231.10278	4.9
232.10582	0.3
249.11351	19.1
250.11710	1.4
258.04361	0.2
313.14441	1.5
314.14795	0.2
332.15982	0.4
338.20004	0.2
395.15045	84.2
396.15408	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	395.1481
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	1.0
67.78617	0.5
72.08427	0.4
80.91577	5.5
95.90089	0.5
98.20631	1.1
107.12595	0.4
116.57351	0.5
121.02852	0.7
133.02876	4.1
134.03642	3.3
135.04448	21.7
136.04773	1.2
137.02380	3.2
139.03874	0.5
150.03111	0.7
161.02400	16.1
162.02808	0.6
173.04588	0.6
175.02455	1.3
178.02592	0.6
179.03462	19.1
180.03876	0.9
217.03557	0.8
219.01521	1.7
238.74872	0.6
261.02539	1.1
313.14526	100.0
314.14859	10.3
353.12488	1.0
385.58463	0.5
395.13522	6.2
396.13937	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	395.1482
Annotation	Rheediaxanthone C
Peak:m/z	Relative Intensity
57.05260	0.7
59.01271	4.7
61.98717	1.6
70.92860	1.4
70.93188	0.8
71.01270	3.5
71.38778	0.7
73.02831	1.3
75.13972	0.7
75.97628	0.6
78.95793	100.0
85.02833	1.3
85.44738	0.6
87.00801	1.0
89.02336	2.9
93.03367	0.8
96.05230	0.8
96.96860	1.5
101.02348	4.1
113.02373	1.4
131.58833	0.7
133.56232	0.7
134.03683	0.8
135.04448	2.9
138.74631	0.8
161.04514	2.7
170.77611	0.7
179.03471	1.3
233.09499	47.2
234.09770	1.8
259.02222	0.7
263.15021	2.6
275.10535	1.5
300.02661	0.9
349.18741	8.0
349.22690	1.2
355.00970	0.8
389.41235	0.8
395.14819	87.1
396.15170	7.9
396.24838	1.2
409.88303	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82169	0.2
61.98717	2.6
70.65343	0.3
70.65701	0.8
72.04675	0.2
73.61318	0.2
78.95808	0.4
93.03385	0.4
117.03380	25.2
118.03735	0.9
119.04944	41.6
120.05274	2.2
121.02866	4.2
123.04430	0.9
133.02856	0.7
145.02890	100.0
146.03220	5.5
147.04480	0.3
151.85133	0.2
160.32008	0.3
162.03180	0.8
163.03958	31.4
164.04311	2.0
165.04573	0.3
166.96817	0.3
231.10286	4.5
232.10706	0.6
249.11363	22.2
250.11710	1.7
300.39362	0.2
310.85165	0.3
313.14590	0.7
332.15970	0.6
395.15067	82.3
396.15405	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	395.1481
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00324	0.4
59.01272	1.0
71.57269	0.6
73.13753	0.4
76.40946	0.5
78.95782	0.5
80.91579	3.9
115.03806	0.5
117.03339	0.7
121.02908	0.5
125.45679	0.5
133.02885	7.4
134.03688	3.0
135.04512	2.4
137.02376	3.0
139.03912	1.1
145.02890	1.1
161.02400	34.4
162.02745	1.4
173.00949	0.7
178.02708	1.4
179.03429	2.7
201.00362	0.8
215.01949	1.6
270.51639	0.5
313.14529	100.0
314.14856	12.1
353.12509	3.2
395.13586	8.3
395.18335	0.6
396.13681	1.4
407.94556	0.6
416.45459	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1486
Annotation	beta-DIHYDROROTENONE
Peak:m/z	Relative Intensity
50.04813	0.3
50.67157	0.3
59.01250	0.7
61.98726	2.0
63.99838	0.3
69.53318	0.6
69.53728	2.0
75.82875	0.3
77.40632	0.3
80.91572	0.4
87.04409	0.7
93.03391	0.4
94.32253	0.3
95.04942	0.5
97.05915	0.5
97.06475	2.3
98.20544	0.6
111.08054	0.3
117.03376	15.9
117.76330	0.3
118.03626	0.4
119.04945	14.4
120.05258	0.6
121.02860	2.4
123.04423	0.8
124.05233	2.6
128.35109	0.3
129.20499	0.3
133.02853	0.6
145.02888	100.0
146.03229	4.8
152.08397	1.4
162.03181	1.1
163.03957	12.2
164.04323	0.7
167.10730	7.7
213.65596	0.3
231.10278	0.9
249.11368	3.9
250.11780	0.3
250.45573	0.4
271.47556	0.3
313.14539	90.8
314.14865	9.2
332.16217	0.4
351.17859	0.3
395.15134	16.9
396.15332	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	394.1516
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01256	1.1
61.98717	100.0
69.31817	2.4
69.32232	1.2
105.40028	0.4
107.27335	0.4
121.76514	0.3
122.43688	0.3
133.02892	0.8
135.04463	1.2
161.02361	1.9
162.53824	0.3
179.03546	0.5
184.14566	0.3
203.03534	0.4
278.29840	0.4
311.09460	0.7
311.60031	0.4
394.14484	5.9
394.64731	0.8
395.15427	0.4
404.24091	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.152
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01260	3.8
61.98717	100.0
69.03328	0.4
71.01276	1.2
71.58772	0.4
71.59169	0.7
73.02837	0.7
78.61437	0.5
85.02858	0.4
87.00775	0.6
97.93497	0.4
133.02885	2.5
135.04456	6.3
137.02348	0.8
149.02434	0.5
149.05986	0.7
161.02399	6.8
162.35397	0.5
175.03987	0.6
177.05620	0.5
179.03462	4.3
180.03836	0.5
183.10246	1.4
203.03458	2.3
259.63181	0.5
311.09592	2.0
311.59711	0.9
368.68417	0.5
394.14572	17.8
394.64822	6.3
395.14920	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.1515
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98717	100.0
62.98440	0.3
64.39783	0.2
65.26111	0.3
70.08772	1.1
76.41267	0.3
98.20477	0.3
108.19706	0.3
111.92365	0.3
118.45721	0.3
118.83234	0.3
120.46832	0.3
133.02916	0.5
135.04390	0.4
137.02377	0.4
140.05388	0.3
144.11086	0.3
161.02393	4.7
162.02518	0.3
169.91901	0.3
179.03468	0.3
241.66315	0.3
331.15579	13.9
332.15924	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	394.1515
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02304	0.2
58.17070	0.3
59.01266	0.3
61.98717	100.0
62.98434	0.3
63.50496	0.2
63.87951	0.2
68.91429	0.2
69.68360	0.3
69.84987	1.7
110.65461	0.3
117.03374	4.0
119.04946	6.2
121.02889	0.7
133.02852	1.5
134.03621	0.7
135.04478	1.2
137.02373	0.6
145.02890	15.4
161.02385	6.5
162.02731	0.5
163.03957	4.6
179.03539	0.6
220.16235	0.3
231.10252	0.8
249.11316	3.2
313.14529	4.0
313.17963	0.4
331.15573	19.3
332.15976	2.2
334.20844	0.3
395.15088	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	393.2787
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77458	17.8
57.40227	17.2
61.98735	20.8
63.21666	17.4
67.81951	19.6
69.99285	100.0
98.20516	23.2
122.75720	19.2
131.90453	19.2
159.50729	18.1
356.50400	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	394.1514
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00541	0.3
54.29630	0.3
55.09444	0.3
61.98716	100.0
71.35495	0.8
74.78910	0.3
82.86893	0.3
91.85094	0.3
94.19658	0.3
118.77442	0.3
128.55617	0.4
133.02895	1.1
135.04465	1.9
161.02385	9.3
162.02794	0.6
179.03442	0.8
179.16942	0.3
199.66354	0.4
210.32907	0.3
214.40030	0.4
331.15570	19.6
332.15982	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	394.1514
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98719	100.0
70.87687	0.8
70.88023	1.7
82.09543	0.7
113.74442	0.8
119.04943	1.5
131.27753	0.8
133.02921	1.4
135.04449	10.8
145.02888	8.4
161.02386	13.8
161.64192	0.7
163.03998	1.0
169.12375	0.9
179.03497	1.2
246.81743	0.8
282.71738	0.8
313.14514	13.5
313.17883	1.2
331.15585	36.9
331.64771	0.9
332.15836	4.1
386.45938	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.1515
Annotation	Unknow
Peak:m/z	Relative Intensity
57.49310	0.3
61.98717	100.0
70.49917	0.9
80.64629	0.3
95.50361	0.3
107.00504	0.3
130.68927	0.3
134.03748	0.4
135.04439	2.6
145.02914	0.4
148.53149	0.3
161.02437	1.6
179.03455	1.8
331.15573	12.9
332.16049	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1354
Annotation	(E)-3,4-Methylenedioxy-2'-methoxy-6'',6''-dimethylchromeno-[2'',3'':4',3']-9-methoxychalcone
Peak:m/z	Relative Intensity
59.01250	0.6
61.98716	1.2
71.57915	0.4
89.84311	0.2
91.27264	0.2
93.03365	0.9
117.03388	5.8
119.04946	65.7
120.05283	3.0
121.02876	2.8
123.04433	1.0
131.41371	0.2
133.02873	0.8
134.03667	0.2
135.04420	0.4
145.02890	9.6
146.03151	0.2
149.02390	0.2
154.64897	0.2
162.03143	1.4
163.03960	100.0
164.04303	4.9
169.06511	0.4
185.09729	0.3
229.08727	1.8
247.09792	0.8
261.82422	0.2
393.13562	16.4
394.13849	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1353
Annotation	(E)-3,4-Methylenedioxy-2'-methoxy-6'',6''-dimethylchromeno-[2'',3'':4',3']-9-methoxychalcone
Peak:m/z	Relative Intensity
56.36992	0.9
61.98700	1.0
63.36425	0.9
67.28857	0.8
69.90822	2.6
69.91236	1.8
78.95799	2.9
93.03352	1.8
117.03382	38.0
118.04248	1.7
119.04945	100.0
120.05275	4.3
121.02870	21.4
121.03774	0.9
122.03242	1.2
123.04453	7.1
133.02893	5.4
134.03654	2.2
145.02890	61.7
146.03188	3.1
162.03192	7.5
163.03958	100.0
164.04309	4.3
169.06537	1.5
185.09668	2.9
229.08722	11.3
242.45309	0.9
247.09760	3.8
382.67294	0.9
393.13522	96.6
394.13763	15.2
394.24081	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.135
Annotation	Unknow
Peak:m/z	Relative Intensity
57.95517	1.1
59.01001	1.2
59.01267	16.6
61.98719	23.3
71.07940	2.8
73.50828	1.1
78.95789	5.0
80.51051	1.2
89.02345	1.4
113.80987	1.0
117.03349	4.5
119.04939	56.9
120.05284	2.1
121.02863	3.1
127.11159	1.7
139.11218	3.7
145.02876	7.7
161.04388	1.2
163.03957	100.0
164.04263	4.6
171.10225	8.8
185.11777	2.9
193.08458	9.4
201.11346	1.5
207.09961	2.5
293.21210	1.7
311.22357	13.8
312.22882	1.7
315.19528	3.1
333.19495	1.5
393.13654	15.9
393.22064	4.0
394.13589	1.4
394.23279	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.227
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91164	0.7
57.03342	4.5
59.01264	27.2
60.01610	0.9
61.01678	1.0
61.98725	5.5
70.72572	2.4
71.01259	0.9
83.04892	0.8
86.91292	1.1
95.04877	0.9
96.95913	2.5
121.10127	1.7
122.92766	0.7
123.08089	1.3
123.30083	0.8
125.09642	5.5
127.11189	5.2
128.11517	0.8
139.11227	44.5
140.11548	1.9
141.12807	0.8
151.11282	0.9
153.09123	1.3
155.10698	2.7
161.02383	2.3
165.08994	2.4
167.10649	1.1
169.12384	1.2
171.10225	64.5
172.10498	3.7
183.10214	6.2
185.11794	14.3
186.12141	1.0
191.06873	1.7
193.08438	93.4
194.08826	5.3
201.11275	8.0
209.08099	1.4
209.10220	1.8
211.08188	1.0
223.11873	1.1
225.09807	1.5
247.20706	2.2
253.09377	9.3
253.82614	0.9
254.10065	0.9
258.99329	1.7
267.11002	1.8
268.11066	1.0
275.20175	3.5
293.21317	15.5
294.21609	1.5
311.22351	100.0
312.22708	10.6
315.19479	14.9
333.20541	12.0
334.20499	0.9
377.19418	2.4
393.22287	16.1
394.22543	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	392.23
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	14.4
60.01608	1.3
61.86028	0.4
61.98719	100.0
64.01820	2.2
65.99737	5.6
66.03361	0.5
71.01269	0.9
71.57677	0.9
73.02847	0.8
78.03386	0.6
83.01271	0.7
85.02813	0.5
94.02898	1.6
95.01292	0.6
106.02927	0.6
122.02422	3.5
123.00827	1.1
127.80910	0.4
133.02882	3.4
134.02406	1.4
135.04443	0.5
142.37009	0.5
149.02411	1.3
150.01964	3.1
161.02408	1.1
162.01941	3.0
165.00429	0.4
176.01114	0.8
177.01926	6.6
178.01384	0.7
179.03410	0.5
185.11882	0.6
206.00995	1.4
224.02084	2.2
229.93698	0.4
392.13586	53.8
393.13986	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	392.1362
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98062	0.4
59.01270	3.0
61.98718	100.0
70.51489	1.2
72.33040	0.3
79.23923	0.3
82.95256	0.3
90.33299	0.4
133.02919	2.0
135.04440	0.7
139.72101	0.4
147.06667	0.3
161.02403	13.8
162.02727	0.7
166.95679	0.4
178.02728	0.4
251.84079	0.4
329.14017	28.9
330.14313	3.8
354.29523	0.4
392.13458	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.1361
Annotation	Unknow
Peak:m/z	Relative Intensity
58.12544	0.4
59.01263	9.3
60.01614	0.7
61.01680	0.5
61.98717	100.0
64.01804	3.4
65.99741	3.4
69.94153	0.7
69.94569	2.3
71.01292	0.4
78.55145	0.5
82.16388	0.5
85.02847	0.5
94.02904	1.1
101.02377	0.6
106.02925	0.5
107.01311	0.8
121.02889	2.0
121.06519	0.5
122.02423	3.1
123.00814	0.7
133.02879	5.9
134.02405	1.0
134.03676	2.1
135.04419	0.8
137.02383	1.9
139.03955	1.1
147.89294	0.5
149.02367	0.6
150.01917	2.3
151.00322	0.5
161.02391	12.7
162.01842	2.9
176.01100	1.0
177.01851	3.8
178.01309	0.7
178.02678	0.7
179.03439	0.8
180.03082	0.5
186.22859	0.5
206.00934	2.0
211.04427	0.5
224.02014	3.6
327.24350	0.6
329.14023	39.4
330.14395	4.8
392.13565	45.1
392.24176	1.4
393.13846	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	392.136
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01259	2.0
61.98716	100.0
70.45458	0.7
70.45763	0.3
94.27242	0.3
97.36919	0.3
131.80435	0.3
133.02925	0.4
135.04434	1.8
145.02962	0.3
156.93362	0.3
161.02394	1.9
179.03532	1.3
198.83667	0.3
217.27568	0.3
310.21237	0.3
329.13989	8.3
329.17569	0.5
330.14359	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.136
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	0.3
59.01260	2.0
64.01814	3.7
65.00214	0.4
65.99734	14.7
66.03368	1.0
67.00031	0.2
67.01776	0.4
71.01267	0.4
73.02855	0.4
75.00731	0.2
76.01807	0.3
78.03373	1.2
80.01284	0.4
80.34847	0.2
81.03332	0.7
83.01281	1.0
87.04422	0.4
89.03870	0.2
90.03377	0.5
93.03352	0.2
94.02877	3.2
95.01281	1.5
99.04417	1.1
104.02585	0.4
105.03368	0.3
106.02895	0.9
107.01312	1.1
114.17015	0.3
120.00862	0.5
121.01634	0.6
121.02831	0.3
122.02400	10.3
123.00780	2.2
123.03218	0.5
124.01566	0.3
126.82967	0.2
132.00854	0.5
133.01624	1.0
133.02873	4.5
134.02400	1.9
134.03407	0.4
134.03639	0.5
135.04443	1.9
137.02368	0.3
139.03958	0.5
148.01598	1.5
149.02359	3.3
150.01909	6.9
150.03094	0.5
152.03491	0.3
160.00348	0.7
161.01149	0.4
161.02379	3.4
161.04417	0.3
162.01859	3.7
163.00392	0.3
165.00665	0.5
166.01418	0.4
167.10796	0.3
176.01129	1.9
177.01897	13.6
178.01306	2.5
179.03435	0.7
180.03017	0.4
203.03453	0.5
206.00912	2.0
224.01979	1.3
241.19580	0.2
392.13589	100.0
392.62097	1.3
393.13910	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	392.136
Annotation	Unknow
Peak:m/z	Relative Intensity
56.12595	0.3
57.87113	0.3
59.01270	1.8
60.35370	0.3
61.98716	100.0
71.06560	0.8
95.18123	0.3
97.06551	0.4
111.57618	0.3
124.05234	0.5
126.74041	0.3
130.98351	0.3
133.02899	2.1
134.03708	0.6
135.04449	1.3
139.11192	0.4
151.85870	0.3
152.08382	0.5
161.02393	13.2
161.03706	0.7
162.02710	0.8
167.10741	1.4
168.11230	0.4
178.02757	0.5
179.03436	1.8
190.51242	0.4
301.80505	0.3
318.19547	0.4
329.14020	24.9
330.14218	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	392.1361
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	6.6
60.01582	1.1
61.98716	100.0
62.98423	0.3
70.29036	0.2
71.01289	0.5
71.46310	0.3
85.02843	0.2
133.02924	1.0
133.03836	0.2
134.03647	0.3
135.04442	2.3
136.10861	0.2
137.02400	0.5
161.02385	4.2
161.04491	0.2
179.03476	1.7
217.00337	0.2
236.10559	0.2
294.17972	0.2
307.08682	0.2
316.16473	0.5
329.14014	14.5
330.14273	1.5
392.13651	0.6
392.18271	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.1361
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26103	0.2
55.01762	0.2
55.02319	0.2
59.01264	2.3
60.01593	0.4
61.98716	6.6
64.01808	5.9
65.00208	0.5
65.92864	0.2
65.99737	9.3
66.03372	0.7
67.01784	0.4
70.65095	0.3
70.65485	0.4
71.01266	0.3
72.99191	0.2
73.02868	0.2
78.03374	0.7
80.01320	0.2
83.01274	0.8
85.02843	0.5
88.41759	0.2
89.03877	0.2
90.03403	0.6
92.01315	0.2
93.03372	0.3
94.02883	2.3
95.01293	1.4
95.04863	0.2
97.06501	1.0
104.02569	0.3
105.02136	0.2
105.03350	0.7
105.53652	0.2
106.02908	1.8
107.01295	1.6
109.02839	0.2
115.71893	0.2
116.01336	0.4
120.00831	0.6
121.01573	0.5
121.02898	0.3
122.02403	7.4
122.03285	0.4
123.00792	1.8
123.03251	1.1
124.01576	0.3
124.03944	0.5
132.00819	0.4
133.01653	1.1
133.02876	7.4
134.02393	2.4
134.03600	0.7
135.04439	0.3
137.02412	0.8
138.01891	0.2
139.03966	0.7
145.02893	0.2
148.01602	0.6
149.02365	2.2
150.01898	5.9
150.03136	1.3
151.00301	0.2
151.02518	0.3
152.03481	0.5
160.00337	0.5
161.01117	0.6
161.02400	0.7
161.04398	0.2
162.01906	6.9
163.02597	0.6
163.99805	0.2
165.00627	0.7
166.01382	0.3
176.01097	1.1
177.01894	11.8
178.01202	1.7
180.02992	1.6
206.00935	2.4
206.33398	0.2
222.04062	0.3
224.02007	6.9
225.02330	0.3
265.78009	0.2
279.61542	0.2
280.11038	0.2
283.22726	0.2
293.54568	0.2
294.06305	0.4
362.13727	0.2
392.13589	100.0
393.13916	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	392.1359
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01264	9.1
60.01603	1.3
61.01679	0.4
61.98718	100.0
62.76428	0.4
62.98447	0.4
65.99730	0.4
69.79951	1.1
69.80363	1.5
92.33523	0.4
102.03359	0.3
119.41947	0.4
121.02884	0.6
133.02882	2.7
135.04462	2.8
146.72520	0.4
161.02391	15.9
162.02745	1.0
171.62300	0.4
177.02026	0.4
179.03470	3.6
248.83049	0.4
329.14026	36.8
330.14319	4.2
332.18164	0.6
392.13538	3.6
392.17697	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.1361
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03327	0.5
59.01264	9.8
60.01597	0.5
61.98717	100.0
62.98422	0.5
70.70113	1.5
119.04948	8.8
121.02876	0.6
132.63800	0.5
133.02913	1.8
134.03687	0.7
137.02420	1.4
137.09648	0.8
161.02374	6.5
163.03954	13.8
171.10277	0.6
172.10548	0.9
178.02649	0.6
206.29622	0.5
207.10057	1.2
208.10342	0.6
236.02835	0.5
285.15073	3.7
310.21286	1.3
314.18280	2.1
315.19522	0.8
329.14014	15.2
330.14423	1.9
332.17865	0.8
371.87903	0.6
393.13843	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.136
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01268	0.4
64.01808	6.0
65.99735	8.3
66.03355	0.5
70.60181	1.0
70.76929	0.3
72.88966	0.3
78.03363	0.7
83.01260	0.8
85.02849	0.8
94.02902	2.0
95.01276	0.9
97.06501	1.2
104.02583	0.3
105.03398	0.6
106.02884	1.4
107.01277	1.2
112.88387	0.3
116.01370	0.3
120.00833	0.5
122.02393	6.8
123.00794	1.9
123.03235	0.8
124.04012	0.4
133.01678	0.9
133.02876	5.7
134.02382	2.7
134.03259	0.5
134.03777	0.3
137.02362	1.0
139.03972	0.4
148.01544	0.5
149.02380	2.6
150.01889	5.5
150.03168	1.3
151.02589	0.4
152.03477	0.6
161.01167	0.6
162.01927	6.9
163.02516	0.5
165.00591	0.8
176.01053	1.0
177.01898	11.7
178.01312	2.4
180.02936	1.1
201.11758	0.3
206.00925	2.1
224.01988	7.0
225.02254	0.5
392.13593	100.0
393.13913	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	391.1985
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	1.0
57.03308	0.5
59.01265	100.0
60.01609	1.3
64.01797	1.0
65.99733	2.3
71.01269	13.1
71.56736	0.8
72.99215	0.8
73.02843	3.7
75.00787	0.6
83.01283	2.0
83.99916	0.4
85.02847	4.5
87.00791	1.6
89.02343	5.9
94.02875	0.9
95.01292	1.1
97.02889	0.6
99.00797	1.4
101.02344	8.8
113.02353	6.6
113.03052	0.5
119.03383	3.1
122.02425	1.9
123.00784	0.6
125.02320	0.5
131.03470	2.7
133.02887	4.5
135.04449	2.7
137.02403	0.5
143.03455	1.6
149.02477	0.8
150.01947	1.3
159.02972	1.4
161.02390	9.0
161.04480	12.0
161.05840	0.7
162.04881	0.8
177.01889	2.9
179.03476	2.0
179.05565	1.5
188.07249	0.6
203.03473	0.5
221.06647	8.9
324.08881	0.6
331.17700	9.4
332.18140	1.1
391.19992	0.6
392.13733	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	391.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
57.57292	0.4
59.01263	100.0
60.01607	1.5
61.98713	0.9
71.01272	6.4
71.17629	0.7
71.17966	0.8
73.02846	1.4
76.53476	0.4
83.01290	0.5
85.02833	1.8
87.00806	0.6
89.02333	6.1
95.01261	0.5
98.76254	0.4
99.00789	0.4
101.02354	4.6
113.02354	2.5
119.03428	3.0
132.87137	0.4
137.02417	0.5
143.03435	0.7
157.97148	0.4
161.04489	1.9
179.05609	1.3
211.98114	0.4
311.09671	0.8
331.17673	2.2
349.18091	0.5
391.19946	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	391.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45792	0.3
58.00479	0.3
59.01265	100.0
60.01606	1.3
60.36040	0.3
62.48310	0.3
70.91482	0.3
70.96209	0.3
71.01273	6.0
71.12473	0.4
71.12803	0.4
71.50635	0.3
72.99203	0.7
73.02829	1.3
84.09047	0.3
85.02853	1.1
87.00790	1.2
89.02339	8.5
95.01289	0.4
98.50653	0.2
99.00785	0.3
101.02354	3.6
107.04941	0.3
113.02373	2.9
115.63458	0.2
119.03424	3.8
125.02380	0.5
131.03430	0.6
133.02904	1.3
134.03694	0.5
135.04460	4.1
143.03381	0.6
161.02385	4.4
161.04420	1.5
175.03951	0.3
179.03445	2.6
179.05550	2.1
187.13431	0.3
190.62624	0.3
203.03574	1.3
214.62753	0.3
280.55450	0.2
284.63858	0.3
299.38766	0.3
311.09576	1.4
319.09378	0.5
331.17789	1.1
349.18774	0.5
391.20029	0.6
391.61877	0.4
392.12259	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	391.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98761	0.2
55.01761	0.3
57.03326	0.3
58.00484	0.3
59.01262	100.0
60.01594	1.1
61.93332	0.2
61.98722	0.4
69.03336	0.3
69.79091	1.4
71.01267	8.0
72.99199	1.0
73.02831	2.0
74.42833	0.2
83.01302	0.5
85.02833	2.0
87.00745	1.0
87.04448	0.2
89.02331	7.4
95.01301	0.4
99.00801	0.3
99.04417	0.2
101.02345	4.6
107.04972	0.4
109.02883	0.4
113.02348	3.8
119.03419	3.1
123.04440	0.3
125.02367	0.3
129.01862	0.2
131.03488	0.6
133.02888	2.3
134.03680	0.8
135.04443	7.6
135.05438	0.4
137.02440	0.6
143.03465	0.9
149.06017	0.3
150.03183	0.3
153.05519	0.3
160.01642	0.3
161.02386	7.2
161.04439	1.5
167.52795	0.2
175.03992	0.8
177.01924	0.3
177.05569	0.7
178.02757	0.3
179.01955	0.2
179.03505	4.2
179.05606	2.1
187.13492	0.3
203.03510	1.2
204.60765	0.2
221.04588	0.3
224.20122	0.2
230.06781	0.4
236.05673	0.3
245.04604	0.2
310.59167	0.3
311.09607	6.3
319.09506	0.5
331.17673	3.1
332.18231	0.3
349.18649	1.0
384.29608	0.2
391.19989	0.7
392.12274	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	391.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18161	0.4
50.20559	0.6
51.17648	0.5
53.30605	0.6
55.01772	0.9
57.03342	1.0
58.38398	0.5
59.01265	100.0
60.01606	1.9
64.34007	0.5
66.67145	0.6
70.89114	1.1
71.01271	13.9
73.02834	4.8
83.01292	2.3
85.02842	6.4
87.00768	0.9
89.02335	2.6
95.01276	1.0
97.02847	1.0
99.00789	1.9
101.02354	12.5
108.87971	0.5
113.02360	6.0
122.25166	0.6
129.01793	0.5
133.02919	0.6
137.44833	0.5
143.03481	0.6
159.02911	1.7
161.04523	8.3
164.58080	0.6
207.92744	0.5
253.99590	0.5
331.17700	27.2
332.18036	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	391.1985
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	100.0
60.01603	1.1
69.31913	3.7
71.01269	4.3
71.10924	0.3
72.99220	0.4
73.02842	1.9
85.02847	1.6
89.02325	2.1
90.83117	0.4
95.01305	0.3
98.20657	0.4
101.02338	3.3
108.92201	0.3
113.02364	2.5
119.03442	1.3
135.04489	0.5
161.04520	3.9
174.96350	0.3
179.05605	0.6
311.09595	0.7
331.17712	10.6
332.18237	0.8
391.20007	0.7
392.12155	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74598	0.2
55.01763	0.3
58.00491	0.3
59.01264	100.0
59.19254	0.2
60.01608	1.2
71.01270	6.5
71.44511	0.4
72.99203	0.3
73.02825	1.5
77.52817	0.2
78.38583	0.2
83.01309	0.5
84.61523	0.2
85.02840	1.9
87.00772	0.6
87.07217	0.2
89.02334	8.1
89.43951	0.2
99.00751	0.3
101.02340	4.7
113.02362	3.4
119.03420	4.0
131.03381	0.3
135.04477	0.3
143.03410	1.1
147.59416	0.2
149.04617	0.4
159.02985	0.6
161.02394	0.3
161.04504	3.7
179.05580	2.2
236.02014	0.3
281.29587	0.2
311.09735	0.5
331.17657	11.9
332.18091	1.4
387.75766	0.2
391.19815	1.2
392.12054	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09821	0.6
55.01759	0.6
59.01266	100.0
60.01616	1.1
69.72196	2.1
69.72623	1.5
71.01274	5.3
73.02847	1.2
79.71897	0.5
85.02853	1.8
87.00772	0.6
89.02362	2.3
89.17440	0.6
95.01291	0.6
101.02330	3.1
113.02373	2.3
119.03432	1.1
121.26055	0.5
133.02895	1.1
134.03708	0.6
134.83247	0.6
135.04445	2.1
151.01070	0.5
151.84561	0.6
161.02429	2.0
161.04488	3.8
179.03467	1.2
179.05714	0.6
183.62219	0.6
186.26813	0.5
191.05621	0.6
203.03532	0.8
291.61484	0.5
311.09583	3.7
331.17694	7.3
332.18109	0.6
391.20038	1.0
392.12424	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	391.1985
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35031	0.2
55.01768	0.3
55.42596	0.2
57.03334	0.3
57.08676	0.2
59.01264	100.0
60.01596	1.1
60.45801	0.2
70.31157	0.2
71.01271	5.2
71.34219	0.6
73.02843	2.5
74.77856	0.3
83.01295	0.9
85.02850	2.9
87.00791	0.7
89.02332	1.3
89.57037	0.2
91.05482	0.2
95.01331	0.6
99.00793	0.8
101.02349	4.5
113.02348	2.8
119.03468	0.6
123.04454	0.2
124.70199	0.2
133.02895	1.4
134.03659	0.5
135.04439	3.3
143.03436	0.6
159.02881	0.4
161.02408	3.6
161.04488	5.8
175.04060	0.3
177.05615	0.5
179.03535	1.8
179.05719	0.3
194.53464	0.2
203.03496	1.5
221.04659	0.4
234.26006	0.2
238.06653	0.4
310.59360	1.1
311.09613	7.5
331.17694	11.0
332.18256	1.0
334.17264	0.3
375.16818	0.3
391.20007	1.6
392.12167	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	0.5
55.51245	0.4
57.59790	0.4
59.01267	100.0
60.01601	1.4
64.10772	0.3
69.26901	1.3
69.27318	2.9
70.14789	0.4
71.01276	4.9
73.02842	2.2
73.59650	0.3
83.01271	0.6
85.02858	2.2
87.00774	0.4
89.02348	1.1
99.00804	0.8
101.02345	3.7
113.02361	1.6
133.02974	0.3
135.04468	1.2
136.69321	0.4
143.03481	0.5
155.48524	0.4
161.02429	0.7
161.04510	6.7
167.05171	0.3
179.03494	0.6
311.09772	1.1
331.17719	18.6
332.18127	2.3
349.19016	0.6
355.16708	0.3
356.01816	0.4
391.19873	2.7
392.12256	2.3
392.20673	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
56.16883	0.2
57.03345	0.3
59.01265	100.0
59.69906	0.2
60.01611	1.1
60.15949	0.2
68.15572	0.2
69.84616	1.3
71.01266	4.0
73.02837	1.0
73.63086	0.2
83.01302	0.7
85.02843	1.9
89.02329	1.6
94.92586	0.2
97.34232	0.2
99.00780	0.6
101.02346	3.6
112.15150	0.2
113.02365	1.9
119.03429	0.8
140.67764	0.2
143.03514	0.4
159.02974	0.5
161.04504	4.8
271.06256	0.5
322.33240	0.2
331.17703	16.7
332.18036	1.8
337.89331	0.2
391.19876	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95291	0.2
55.01769	0.8
57.03337	0.8
58.00482	1.3
59.01264	100.0
60.01596	1.4
62.75146	0.2
69.03345	0.9
71.01271	17.7
71.04908	0.3
71.44117	0.4
72.01624	0.4
72.99203	0.9
73.02837	10.0
81.07018	0.3
81.30127	0.2
83.01271	2.9
85.02838	4.6
87.00772	1.2
87.04425	0.8
89.02335	14.2
90.02717	0.3
95.01277	1.2
97.02839	0.4
99.00758	1.1
99.04449	0.3
101.02345	14.0
101.06017	0.4
102.02665	0.3
113.02357	7.9
114.02750	0.2
119.03420	5.2
125.02392	0.8
131.03438	0.9
135.04506	0.5
142.02553	0.2
143.03430	1.5
149.04517	0.8
159.02968	0.4
161.02411	0.8
161.04501	4.4
178.04805	0.3
179.03719	0.4
179.05627	2.6
185.11870	0.3
187.13368	5.7
187.15027	0.3
188.13814	0.3
203.03612	0.4
205.03516	0.2
229.14513	0.3
253.14717	0.3
311.09436	1.1
318.42728	0.2
319.59256	0.2
331.17728	3.9
331.21420	0.3
332.18185	0.4
349.18732	12.6
350.18994	1.3
391.19904	1.4
392.12418	0.2
392.20483	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1985
Annotation	Unknow
Peak:m/z	Relative Intensity
57.82895	0.2
59.01265	100.0
60.01601	1.2
71.01266	2.3
71.10561	0.3
73.02829	1.0
83.01264	0.4
85.02847	1.1
87.00756	0.4
89.02340	0.6
94.56519	0.2
94.61320	0.2
99.00810	0.5
101.02346	2.0
101.07851	0.2
106.26263	0.2
113.02353	0.9
119.07448	0.2
131.03474	0.2
133.02843	0.4
134.03699	0.3
135.04460	1.2
158.45613	0.2
159.02960	0.4
161.02417	1.6
161.04504	2.8
177.05525	0.2
179.03510	0.8
203.03606	0.6
331.17682	7.8
332.18237	0.6
391.19812	2.0
391.61697	0.2
392.12314	4.7
392.20135	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
55.31520	0.3
59.01265	100.0
60.01605	1.5
64.89306	0.2
69.85759	1.1
69.86169	0.6
70.87334	0.3
71.01272	4.3
72.99209	0.6
73.02480	0.3
73.02850	1.3
83.01311	0.4
85.02834	1.5
87.00784	0.6
89.02340	2.0
99.00793	0.4
101.02346	3.4
113.02355	1.7
119.03432	1.0
125.61239	0.3
131.03375	0.3
132.02069	0.3
133.02884	0.7
134.03770	0.4
135.04460	2.3
150.03204	0.3
161.02454	2.2
161.04504	2.9
179.03455	1.6
179.05659	0.4
191.05649	1.3
203.03517	0.6
331.17691	11.9
332.18140	1.2
349.18893	1.0
364.06006	0.4
391.12106	0.4
391.19931	2.1
391.61942	0.6
392.12277	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	391.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03347	0.7
59.01264	100.0
60.01598	0.6
63.87082	0.6
71.01270	12.9
71.34702	1.5
72.99204	0.7
73.02832	3.6
76.47977	0.5
81.93336	0.6
83.01285	1.3
85.02840	4.0
87.00787	0.7
89.02341	7.5
95.01273	0.8
99.00773	1.0
101.02342	11.1
101.17104	0.5
113.02361	5.5
119.03374	2.9
133.02910	0.7
136.01984	0.6
143.03416	1.3
149.04906	0.9
149.06056	3.8
159.03008	0.6
161.02423	1.4
161.04510	8.5
179.05547	1.6
187.13269	0.7
188.07140	2.7
202.44337	0.6
213.30513	0.6
218.03015	0.6
297.87592	0.5
305.43781	0.7
331.17688	25.1
332.18204	2.5
349.18707	2.4
386.44250	0.6
392.11884	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98761	0.2
55.01761	0.3
57.03326	0.3
58.00484	0.3
59.01262	100.0
60.01594	1.1
61.93332	0.2
61.98722	0.4
69.03336	0.3
69.79091	1.4
71.01267	8.0
72.99199	1.0
73.02831	2.0
74.42833	0.2
83.01302	0.5
85.02833	2.0
87.00745	1.0
87.04448	0.2
89.02331	7.4
95.01301	0.4
99.00801	0.3
99.04417	0.2
101.02345	4.6
107.04972	0.4
109.02883	0.4
113.02348	3.8
119.03419	3.1
123.04440	0.3
125.02367	0.3
129.01862	0.2
131.03488	0.6
133.02888	2.3
134.03680	0.8
135.04443	7.6
135.05438	0.4
137.02440	0.6
143.03465	0.9
149.06017	0.3
150.03183	0.3
153.05519	0.3
160.01642	0.3
161.02386	7.2
161.04439	1.5
167.52795	0.2
175.03992	0.8
177.01924	0.3
177.05569	0.7
178.02757	0.3
179.01955	0.2
179.03505	4.2
179.05606	2.1
187.13492	0.3
203.03510	1.2
204.60765	0.2
221.04588	0.3
224.20122	0.2
230.06781	0.4
236.05673	0.3
245.04604	0.2
310.59167	0.3
311.09607	6.3
319.09506	0.5
331.17673	3.1
332.18231	0.3
349.18649	1.0
384.29608	0.2
391.19989	0.7
392.12274	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	391.1773
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	100.0
60.01602	0.9
61.98717	5.9
64.01794	0.3
65.99738	0.6
70.75035	0.7
71.01263	2.3
73.02880	0.4
74.15199	0.3
78.95793	0.4
85.02843	1.0
89.02343	1.0
94.02860	0.3
99.92526	0.2
101.02342	1.5
113.02367	1.0
117.03364	2.2
119.03447	0.4
119.04928	0.5
121.02866	5.1
128.45566	0.3
133.02844	0.9
134.03726	0.4
135.04468	0.4
145.02895	5.5
146.03293	0.4
158.55533	0.3
159.02878	0.4
161.02473	0.4
161.04463	1.5
177.01875	0.9
179.03380	0.4
217.00316	0.6
224.02074	0.7
241.69778	0.2
261.07712	0.3
329.13879	0.4
331.17850	4.0
349.59091	0.3
375.17038	0.3
391.17676	16.2
392.13455	6.5
392.18182	2.1
392.24435	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1774
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16642	0.2
59.01266	100.0
60.01585	0.9
61.98723	2.5
64.01815	0.3
65.99731	0.8
66.80167	0.2
70.73229	0.2
70.73579	0.3
71.01284	0.8
78.03318	0.2
85.02827	0.4
89.02356	0.2
93.94123	0.2
94.02885	0.2
100.55168	0.2
101.00372	0.2
101.02358	0.6
117.03382	2.5
118.02915	0.2
119.04931	0.3
121.02888	0.4
122.02399	0.7
123.00773	0.4
129.09291	0.2
133.02875	0.9
134.02400	0.4
137.02374	0.3
145.02890	6.5
146.03290	0.4
149.02373	0.5
150.01883	0.4
150.03069	0.3
161.02386	0.3
161.04523	0.5
162.01947	0.9
170.69145	0.2
177.01895	2.3
206.01007	0.6
217.00478	0.2
224.02052	0.7
237.74394	0.2
307.33990	0.2
331.18127	1.1
345.13388	0.4
391.17685	26.9
392.13608	15.0
392.18134	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	391.1773
Annotation	9,11alpha,14alpha-Triacetoxymarsupellone
Peak:m/z	Relative Intensity
59.01266	86.4
60.01618	0.9
61.98719	36.1
62.47618	0.5
69.63062	4.2
71.01273	3.5
73.02836	1.5
75.00758	0.8
75.41823	0.7
85.02850	1.3
89.02357	1.5
96.95904	0.7
101.02348	2.2
101.66228	0.6
102.83369	0.5
113.02378	1.0
117.03377	25.5
118.03707	0.9
119.04950	6.9
121.02869	2.2
121.03666	0.6
133.02899	1.3
135.04446	1.4
137.02440	0.7
145.02892	100.0
146.03223	4.6
161.02397	10.1
161.04536	2.3
162.03032	0.5
163.03993	3.0
179.03438	0.8
179.05632	0.8
329.14005	12.8
329.17715	1.1
331.15018	14.1
332.15787	1.3
333.16043	1.2
391.17700	58.4
392.13223	3.2
392.18124	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	391.1772
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	75.2
60.01593	1.1
61.98716	31.2
63.33074	0.8
63.57032	0.6
71.01281	3.1
71.59212	0.8
72.99187	1.0
73.02829	0.7
75.00763	100.0
85.02823	0.9
89.02332	1.9
95.01297	0.8
97.02847	2.7
101.02350	2.8
113.02353	1.4
117.03396	2.0
119.03372	0.9
119.04925	3.9
133.02905	0.8
135.04482	2.0
137.09631	1.0
145.02893	5.8
161.02385	5.2
161.04498	2.4
163.03954	5.5
171.10226	1.4
179.03450	0.8
184.30661	0.6
193.08449	0.9
207.10072	1.3
209.48563	0.7
262.11945	1.2
291.19989	0.7
309.20706	3.6
313.18033	1.3
315.16061	19.8
316.16373	2.6
329.14084	3.2
331.15543	5.4
331.18430	2.5
391.17075	0.9
391.20770	0.8
392.13431	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1771
Annotation	9,11alpha,14alpha-Triacetoxymarsupellone
Peak:m/z	Relative Intensity
59.01265	100.0
60.01589	1.6
61.98718	15.8
71.01264	4.2
72.99199	1.1
73.02837	1.7
75.00764	48.9
81.03353	1.7
81.97640	0.7
82.19025	0.7
83.01270	1.3
83.04913	4.5
83.08863	0.8
85.02855	1.7
89.02335	3.5
96.95930	1.9
98.19690	1.7
101.02357	3.0
109.02872	0.6
113.02369	2.3
117.03420	1.4
119.03426	1.7
119.04979	1.0
121.02787	0.7
133.02887	7.6
134.03679	1.3
135.04434	3.4
137.02385	4.5
139.04027	0.8
145.02884	9.7
146.03604	1.3
159.04483	2.0
161.02394	19.8
161.04546	3.3
161.06061	8.7
162.02765	1.5
162.36104	0.8
179.03528	1.8
179.68742	0.7
205.05153	1.6
217.00461	1.0
217.06708	0.8
219.78560	0.7
230.13669	1.1
315.16080	14.6
316.16315	1.0
329.13959	3.8
331.15256	32.5
332.15598	3.6
391.12994	1.3
391.17593	6.6
391.29761	9.5
392.13361	1.3
392.18073	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1204
Annotation	Glycoperine
Peak:m/z	Relative Intensity
56.38811	0.2
57.03337	2.1
59.01264	6.2
59.36820	0.2
60.01599	0.3
62.56782	0.3
64.01810	4.7
64.78672	0.3
65.00210	0.6
65.99735	13.6
66.03372	1.0
67.00068	0.5
67.01780	0.4
70.00047	1.0
71.01282	0.4
76.01805	0.4
78.03394	1.4
80.01314	0.3
83.01282	1.1
83.04916	0.7
90.03374	0.3
94.02872	3.4
95.01283	1.8
97.30904	0.3
98.19933	0.3
101.02324	0.4
104.02600	0.4
105.02107	0.4
105.03353	0.7
106.02913	1.2
107.01288	1.9
109.99257	0.3
116.01386	0.3
120.00827	0.6
121.01621	0.6
121.02884	0.5
122.02400	9.4
123.00807	2.2
132.00822	0.3
133.01636	1.2
133.02872	6.3
134.02405	2.5
137.02336	0.4
138.01895	0.3
138.06799	0.5
139.03906	0.3
140.92302	0.3
148.01547	1.4
149.02377	2.0
150.01927	6.3
150.03058	0.4
153.09146	0.5
160.00343	0.6
161.01128	0.6
161.02374	1.1
161.04547	0.4
162.01923	5.0
175.00291	0.3
176.01106	1.7
177.01888	14.8
178.01260	2.2
206.00937	2.4
213.70705	0.3
224.02032	1.2
225.89197	0.3
237.05484	0.3
258.61395	0.3
303.51251	0.3
331.17657	0.7
357.83243	0.3
390.12021	100.0
391.12366	11.1
391.17511	0.6
398.45740	0.3
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
50.92261	0.3
58.39231	0.4
59.01265	32.9
61.98717	100.0
62.27444	0.3
62.47824	0.4
64.01819	1.6
65.99735	3.1
71.01273	1.5
71.59552	0.5
71.59952	0.6
85.02875	0.6
89.02342	1.0
94.02886	0.9
95.01288	0.4
101.02341	1.0
113.02345	0.8
117.03364	0.6
119.03413	0.4
119.04942	0.9
122.02385	1.9
123.00833	0.7
133.02902	2.8
134.02423	0.5
145.02885	1.6
146.03232	0.5
149.02388	0.9
150.01915	1.7
161.02397	0.8
161.04503	1.2
161.96364	0.4
162.01930	1.4
163.03911	0.7
170.43321	0.4
176.01175	0.5
177.01857	4.2
177.26570	0.3
206.00952	0.6
224.01970	1.2
225.94238	0.4
331.17712	3.3
390.12039	22.7
390.16418	1.2
391.12137	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	390.1203
Annotation	Glycoperine
Peak:m/z	Relative Intensity
59.01264	45.1
61.98712	3.3
62.04765	0.7
64.01806	5.9
65.99733	10.8
66.03345	0.9
71.01265	2.7
71.57501	0.8
74.72179	0.8
78.03384	0.9
78.95811	0.9
85.02872	1.4
85.99043	0.8
86.88606	0.7
89.02341	0.9
93.58471	0.7
94.02875	3.0
95.01312	1.3
101.02350	1.4
105.03359	1.2
106.02903	1.5
107.01290	2.2
113.02319	1.0
117.03378	2.7
118.03683	1.9
119.04974	2.7
122.02392	7.4
123.00818	2.6
133.02875	9.8
134.02399	3.3
134.03616	1.4
135.04442	1.5
137.02380	1.8
139.03902	0.9
145.02884	11.9
146.03227	7.0
148.01555	1.5
149.02396	3.3
150.01895	4.9
150.02994	1.4
161.02412	2.8
161.04573	1.1
161.05971	0.9
162.01781	4.9
162.03058	0.8
163.03964	1.9
164.39502	0.7
175.02629	0.8
176.01071	1.4
177.01868	14.8
178.01431	2.3
179.37119	0.8
201.11282	0.9
206.00967	3.5
217.00284	2.0
224.02017	8.9
331.17633	3.0
332.16034	0.9
390.12033	100.0
390.16568	16.4
391.12396	11.9
391.16986	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	390.1203
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03342	2.1
59.01266	14.8
61.98716	0.6
64.01809	4.6
65.00221	0.5
65.99738	12.4
66.03370	1.0
66.78458	0.3
67.01793	0.4
71.01278	0.8
73.02805	0.5
76.01802	0.3
78.03381	1.2
83.01283	1.0
83.04916	1.0
89.02342	0.6
90.03404	0.5
92.01297	0.3
92.39601	0.3
93.03354	0.4
94.02885	3.3
95.01280	1.5
95.04922	0.5
98.07459	0.3
101.02321	0.6
104.02548	0.3
105.03365	0.6
106.02904	0.8
106.37901	0.2
107.01294	1.6
109.02763	0.2
113.02334	0.4
117.41300	0.2
119.03440	0.3
120.00797	0.6
121.01587	0.8
121.02842	0.6
122.02407	8.3
123.00822	2.4
123.03150	0.4
133.01640	1.4
133.02869	8.0
134.02437	2.3
134.03352	0.5
135.04401	0.4
137.02368	0.4
138.06831	0.4
139.03932	0.4
148.01596	1.0
149.01285	0.3
149.02356	1.7
150.01920	6.4
150.03101	0.7
160.00356	0.6
161.01151	0.4
161.02397	4.0
161.04514	0.8
162.01920	5.9
163.02444	0.4
176.01154	1.4
177.01903	15.3
178.01253	2.3
180.02956	0.5
206.00955	2.3
224.02039	1.5
257.19449	0.3
271.86984	0.3
331.17712	1.0
337.10733	0.4
390.12042	100.0
391.12454	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	389.2918
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	100.0
60.01601	1.5
69.63274	2.6
95.99470	0.3
167.71474	0.3
168.89102	0.4
329.81891	0.4
386.26239	0.4
407.79980	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2919
Annotation	Unknow
Peak:m/z	Relative Intensity
56.67863	0.4
59.01263	100.0
60.01597	1.0
71.01256	0.5
71.50348	0.7
87.88204	0.5
89.02335	0.9
101.02350	0.6
113.02326	0.6
161.04451	0.6
316.16605	0.4
329.16287	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	390.1201
Annotation	Glycoperine
Peak:m/z	Relative Intensity
59.01265	55.8
60.01603	2.2
61.98716	15.0
64.01809	7.1
65.00214	0.6
65.99738	12.3
66.03362	1.1
66.28309	0.5
67.01765	0.8
69.27481	4.6
71.01268	2.5
75.00764	5.3
78.03378	0.9
83.01261	1.4
85.02828	1.8
89.02316	1.1
90.03388	0.8
92.01329	0.5
94.02879	3.4
95.01283	1.3
96.95897	0.6
98.19789	1.3
99.00758	0.6
101.02327	1.4
105.03387	1.2
106.02910	0.9
107.01290	1.3
113.02341	1.0
117.03387	4.5
119.03424	0.5
119.04923	1.9
121.01590	0.8
121.02892	0.7
122.02415	7.7
123.00790	2.4
123.03195	0.9
124.03960	0.6
125.95403	0.4
132.02130	0.5
133.01794	0.8
133.02888	13.1
134.02354	2.8
134.03273	0.6
135.04404	0.8
137.02371	1.3
139.03856	1.1
145.02885	20.2
148.01619	0.8
149.02400	2.7
150.01903	4.8
150.03023	0.6
152.03458	0.8
158.22559	0.4
161.02367	3.4
161.04515	1.6
162.01837	4.3
163.03926	1.1
176.01134	0.8
177.01904	14.4
178.01268	2.4
179.03497	0.6
196.05319	0.5
206.00931	3.1
217.00302	0.6
224.02013	10.1
315.16022	0.8
329.13885	0.6
330.14191	2.9
331.15265	1.9
331.17874	2.4
332.15866	3.6
390.12030	100.0
391.12363	11.7
391.17755	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	389.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01767	0.5
57.03333	0.5
59.01265	100.0
60.01602	1.1
61.98760	0.3
67.34964	0.2
68.99727	0.3
71.01271	7.2
72.99208	0.3
73.02834	2.1
83.01290	0.7
85.02849	3.8
87.59110	0.3
89.02344	2.0
90.51716	0.3
95.01294	0.6
98.19815	1.0
99.00799	0.8
101.02349	5.0
112.79165	0.2
113.02369	3.4
116.47215	0.3
119.03459	0.5
129.01874	0.4
135.04443	0.2
137.02423	0.3
143.03453	0.4
159.02975	0.8
161.04512	6.4
163.41833	0.2
167.10851	0.3
179.03351	0.3
179.05685	0.4
193.79602	0.3
205.03571	0.6
223.04718	0.3
236.29506	0.2
329.16159	6.2
329.19934	0.4
330.16656	0.5
347.17468	1.1
389.12836	0.5
389.18054	0.6
389.25931	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2474
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29478	3.4
59.01268	100.0
63.53425	2.9
64.67494	3.5
64.97852	3.3
71.01260	10.8
71.56235	4.8
82.40733	3.5
89.02366	7.0
101.02328	6.0
113.02361	4.8
119.03399	4.6
123.04430	3.5
161.04501	4.1
245.66269	3.6
252.08000	5.0
282.25357	4.2
325.45020	4.5
328.92841	4.2
329.16171	9.0
380.00482	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1613
Annotation	Flibanserin
Peak:m/z	Relative Intensity
58.87522	0.2
59.01266	22.7
60.01596	0.3
71.01276	0.7
71.51355	0.4
72.99204	0.3
85.02773	0.2
89.02327	0.5
90.41640	0.2
101.02351	0.4
105.03369	0.4
112.92739	0.2
113.02337	0.2
117.03381	0.8
119.03448	0.2
121.02917	0.3
123.04427	0.4
132.02089	1.2
133.02879	27.6
134.03603	2.0
135.04453	12.8
135.05254	0.2
136.04758	0.5
137.02364	2.3
139.03929	0.6
151.11235	0.3
161.02386	100.0
162.02725	5.2
178.02681	0.8
179.03448	2.2
222.19257	0.3
277.33151	0.3
308.69455	0.3
329.13867	6.5
330.14362	0.7
331.15579	12.8
332.15884	1.5
347.14893	0.4
389.16135	63.9
390.12134	0.3
390.16449	8.9
390.21567	0.5
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	Unknow
Peak:m/z	Relative Intensity
55.01768	0.9
57.03342	1.5
58.00482	0.7
59.01264	100.0
60.01593	1.4
69.64808	0.6
69.65220	1.9
70.68027	0.4
71.01271	22.6
72.01608	0.7
72.99191	0.8
73.01711	0.5
73.02838	13.6
75.00753	0.4
83.01268	4.1
84.90327	0.4
85.02852	6.7
85.06560	0.4
86.03236	0.4
87.00795	0.8
89.02337	8.8
95.01302	1.0
97.02848	0.5
98.19866	0.5
99.00765	2.1
101.02347	17.7
102.02706	0.7
113.02361	9.2
114.02732	0.5
119.03410	3.7
125.02394	1.1
131.03461	0.7
131.48048	0.4
132.99895	0.4
135.04451	0.6
143.03421	2.0
149.04521	1.3
159.02985	1.2
161.02472	0.7
161.04503	14.1
161.05840	0.8
162.04849	0.8
167.10754	0.6
179.05598	1.0
185.11781	2.3
193.30310	0.4
203.05634	0.5
205.03564	0.4
329.16116	21.3
330.16611	1.7
347.17151	11.1
348.17560	1.1
389.18088	10.7
389.25958	0.8
390.18689	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	389.1464
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03999	0.3
53.52862	0.3
59.01265	100.0
60.01609	1.5
67.85522	0.3
70.58639	1.1
71.01279	3.2
73.02840	0.9
76.91110	0.3
77.28111	0.4
85.02854	1.3
89.02363	0.7
91.00272	0.4
95.13020	0.3
101.02351	1.8
106.04190	0.6
107.04936	6.6
108.09026	0.4
113.02350	1.1
119.03435	0.5
123.04414	0.6
130.73343	0.4
135.04449	61.9
136.04794	2.8
161.04524	4.2
167.07091	7.3
177.16489	0.4
225.45691	0.4
297.09912	3.5
298.10440	0.4
326.84067	0.4
329.16162	0.6
359.72406	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1612
Annotation	Flibanserin
Peak:m/z	Relative Intensity
51.13037	0.4
59.01268	20.4
59.63359	0.3
60.69817	0.4
61.98731	1.7
71.01263	1.3
77.03803	0.3
85.02828	0.4
87.00768	0.4
89.02360	0.8
96.95913	0.5
101.02343	1.1
107.04935	0.5
111.24490	0.3
113.02328	0.4
113.19853	0.3
117.03367	1.4
119.03445	0.7
119.04928	0.8
121.02906	0.7
123.66531	0.3
132.02112	1.2
133.02882	26.0
134.03696	4.2
135.04451	66.1
136.04762	2.0
137.02374	3.4
139.03931	1.4
145.02882	4.5
148.05257	2.2
161.02393	82.9
162.02769	4.2
163.03889	0.5
178.02635	2.2
179.03462	18.7
180.03799	1.1
219.10284	4.1
263.09277	7.7
264.09750	0.4
287.82144	0.3
329.13708	3.9
330.13983	0.5
331.15579	14.8
332.16000	1.3
347.15033	3.4
389.16144	100.0
390.11987	1.6
390.16458	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	387.2317
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01264	75.2
67.01647	11.2
67.38875	11.6
67.39280	12.4
67.60887	10.4
69.68827	11.4
71.01256	14.0
98.19836	30.6
121.02871	100.0
123.94703	12.3
148.59641	12.9
158.46042	10.7
165.54276	10.3
212.67256	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	387.2316
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	100.0
71.01271	16.9
71.07240	25.8
89.02365	11.0
90.73529	10.3
96.36784	9.8
141.01605	11.0
161.04501	10.5
179.52983	10.1
193.70383	10.4
251.30441	11.2
327.14740	16.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2762
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06230	0.4
59.01265	100.0
60.01602	1.4
69.99435	0.4
71.06802	1.2
73.57359	0.4
76.25764	0.4
87.77279	0.4
89.76270	0.4
91.34648	0.5
100.98640	0.4
127.29275	0.5
130.15993	0.4
235.20688	0.9
253.21777	7.4
254.22357	0.8
275.74527	0.4
294.44516	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1671
Annotation	Tuberonic acid glucoside
Peak:m/z	Relative Intensity
59.01265	65.3
60.01585	1.2
64.15391	0.7
70.88180	1.0
70.88515	1.8
71.01273	13.8
72.99192	1.0
73.02831	0.8
85.02848	2.5
89.02335	11.0
89.59426	0.7
94.70470	0.8
101.02321	8.1
112.93285	0.8
113.02361	4.0
119.03409	4.8
163.11227	32.4
164.11514	2.8
207.10350	0.9
322.89700	0.8
347.43884	0.9
387.16711	100.0
388.17023	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	387.1781
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80326	0.5
56.84986	0.6
59.01265	100.0
60.01600	1.5
61.98717	61.6
70.39561	0.7
70.39891	2.4
71.01270	2.3
71.42841	0.6
77.95628	0.7
101.02348	0.9
113.69166	0.7
141.01726	0.7
145.02898	1.6
158.57011	0.7
161.04500	1.5
174.35954	0.7
327.15204	1.3
387.14355	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01513	0.5
55.01771	6.3
57.03338	8.5
58.00481	2.3
59.01265	41.7
60.01593	0.5
68.99702	0.4
69.03340	1.0
69.62118	1.7
71.01267	100.0
72.01607	1.5
72.99195	3.4
73.02834	35.3
73.55824	0.3
74.03158	0.6
75.00761	2.9
81.03351	0.8
83.01274	15.8
84.01617	0.5
84.02066	0.8
85.02840	48.2
85.99986	0.6
86.03163	1.2
87.00773	4.6
89.02335	13.3
93.03358	0.3
95.01282	7.7
96.01633	0.3
97.02839	2.2
99.00777	13.6
100.01110	0.5
101.02344	72.0
102.02693	1.6
110.71304	0.3
111.00801	0.8
112.01572	0.4
113.02354	40.2
114.02692	0.9
115.03910	0.3
119.03429	4.2
123.04432	0.8
125.02354	2.3
129.01852	2.4
131.03403	0.6
137.09647	3.8
139.00285	0.3
143.03429	4.5
153.01930	0.3
153.09167	0.3
159.02936	10.3
160.03221	0.3
161.04495	50.6
162.04832	2.1
163.11249	0.4
165.09145	0.9
173.09682	0.3
179.05585	0.9
181.12299	0.4
183.10220	0.7
187.10971	0.2
189.12851	3.6
195.13762	0.5
197.15471	0.4
202.53374	0.3
205.03441	1.8
207.13860	1.2
225.14960	10.6
226.15349	0.7
285.09842	0.5
295.55115	0.3
301.16647	3.9
327.14465	0.3
343.17657	0.3
345.15430	0.4
387.20355	51.8
388.20740	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	387.1671
Annotation	Tuberonic acid glucoside
Peak:m/z	Relative Intensity
54.23322	0.6
55.01756	0.6
57.03333	1.4
58.00502	0.6
59.01268	100.0
60.01604	1.4
71.01275	26.0
72.99210	2.7
73.02839	7.1
75.00793	0.6
81.03351	0.6
83.01294	2.2
85.02843	14.1
87.00800	1.9
89.02340	13.1
93.03374	2.4
95.01300	1.9
97.02874	3.5
99.00809	2.4
101.02350	16.8
113.02357	10.2
119.03413	7.2
125.02406	1.1
131.03412	0.9
131.69403	0.5
139.07594	1.2
140.01031	0.6
143.03468	1.0
151.03969	1.8
159.02922	1.2
161.04524	8.7
163.11250	9.0
165.09145	1.4
167.10774	1.0
168.04227	0.6
179.05585	1.1
191.05579	5.9
203.05551	3.3
205.03600	0.7
207.10301	2.4
225.11279	1.1
225.15015	0.7
237.22723	0.6
251.46620	0.6
267.35840	0.6
301.16620	4.1
327.14700	5.4
328.14816	0.8
345.15649	14.8
346.15942	1.3
387.16724	79.4
388.16965	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	387.1669
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01769	2.0
57.03327	3.3
58.00488	2.8
59.01264	92.8
60.01592	0.8
69.03335	1.2
70.51863	1.4
70.52242	2.3
71.01267	41.6
72.99197	3.8
73.02836	40.1
74.03193	0.9
75.00755	1.7
83.01279	7.5
85.02842	13.8
87.00768	5.6
89.02335	26.2
95.01279	2.6
97.02862	3.5
98.92794	0.9
99.00774	3.1
101.02345	45.8
102.02708	1.0
107.04894	1.2
113.02358	13.9
117.02663	0.8
119.03416	18.4
123.04433	1.9
131.03450	1.3
135.04387	1.0
139.07568	0.9
143.03452	3.4
149.04468	2.0
159.02898	1.2
161.04501	35.6
162.04836	1.2
165.09166	9.4
179.05527	2.0
181.12442	0.7
225.14964	7.6
243.30904	0.8
301.16629	100.0
302.13837	1.3
302.16971	9.2
327.14462	1.6
343.17767	7.9
345.15613	5.4
346.15775	1.0
359.91757	0.8
387.16452	11.1
387.20328	40.0
388.16345	1.2
388.20975	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	387.167
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03347	1.7
58.00469	0.3
59.01266	100.0
60.01596	1.1
61.98721	1.6
62.98226	0.4
63.47100	0.3
64.45164	0.3
64.85634	0.3
70.44031	0.7
70.44431	0.6
71.01270	13.0
72.99199	1.1
73.02849	2.1
81.03363	0.4
83.01266	2.3
85.02857	3.9
87.00785	0.9
89.02341	9.4
89.02890	0.6
93.03375	1.0
95.01281	0.9
95.04914	0.5
97.02853	0.5
99.00775	0.8
100.94403	0.3
101.02348	9.5
107.04868	0.4
113.02355	4.2
119.03422	3.2
123.04461	0.4
125.02369	21.5
126.02686	1.0
139.00314	0.3
139.03989	0.4
147.08069	0.6
149.02379	3.0
149.04442	0.3
151.03926	0.7
161.04523	4.1
163.07573	0.6
163.11237	26.6
164.11574	1.4
165.01849	0.4
165.05522	0.9
165.09172	0.9
166.01363	0.4
179.03374	0.3
179.05646	0.4
181.05006	0.6
191.05600	3.7
207.10187	0.4
225.04117	1.8
225.07660	1.2
287.07782	0.7
327.14526	5.1
328.15036	0.4
334.49097	0.3
387.16705	69.2
387.60757	0.4
388.17072	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	385.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
57.68774	0.8
59.01265	100.0
60.01594	0.8
69.54826	6.1
71.01270	16.6
72.99197	1.4
73.02834	29.8
75.00754	0.8
81.98952	0.8
83.01278	7.2
85.02830	2.0
87.00769	1.3
89.02348	9.4
98.19883	1.4
101.01699	1.7
101.02352	29.3
102.02719	0.9
113.02354	4.6
119.03394	7.5
119.04906	1.1
129.35913	0.9
131.03406	2.6
143.03427	3.4
149.04482	2.8
151.03954	1.6
161.02435	5.1
161.04482	8.4
176.04727	5.2
179.03423	4.5
179.05565	1.5
180.04230	0.8
181.08780	1.1
191.07112	6.1
194.05809	3.0
201.12775	0.8
283.11884	2.5
300.02863	1.3
385.13635	0.9
385.18930	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1645
Annotation	(+)-Eudesmin
Peak:m/z	Relative Intensity
59.01271	43.6
69.90382	32.2
71.01270	20.2
73.02809	8.6
85.02871	10.8
89.02363	6.6
101.02323	13.8
113.02356	10.6
115.00311	12.7
124.60303	6.3
161.02486	11.0
174.01649	50.5
179.07185	10.9
190.02654	12.8
191.05615	12.6
203.03511	6.6
205.05052	29.4
209.08148	7.0
223.06178	31.3
329.05890	6.3
349.18689	15.2
385.11493	100.0
385.16473	84.6
386.11734	11.9
386.16422	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	385.1664
Annotation	(+)-Diaeudesmin
Peak:m/z	Relative Intensity
53.37117	0.7
58.21030	0.6
59.01262	6.2
61.98698	0.6
62.97315	0.6
69.43764	4.7
71.01266	1.0
73.02834	9.6
89.02322	1.7
91.03948	0.7
93.03356	2.2
95.04938	0.7
112.13258	0.7
117.03376	94.0
118.03571	0.9
118.04269	1.6
119.04948	57.8
120.05299	2.0
121.02872	68.3
121.90244	0.7
122.03227	2.4
123.04435	22.5
123.05299	1.3
124.04778	0.8
129.09152	0.8
133.02882	17.7
134.03665	5.6
145.02885	25.4
149.02423	1.9
158.69017	0.8
161.04457	0.8
162.03174	32.0
163.03957	86.2
164.04314	4.8
172.08884	1.3
173.74731	0.7
175.68207	0.9
177.05508	1.8
211.13377	1.5
267.13937	1.3
311.12970	38.0
311.22321	9.3
312.13229	3.8
312.22931	1.0
344.49576	0.7
353.14029	5.5
374.84494	0.7
385.16650	100.0
386.16946	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	385.224
Annotation	Oleandolide
Peak:m/z	Relative Intensity
57.14057	0.7
59.01270	6.7
61.98721	2.3
71.01270	1.8
71.59811	0.9
73.02831	0.9
89.02354	2.2
91.03902	2.0
101.02370	0.7
112.01067	0.9
119.04937	5.5
121.02877	1.4
122.03641	1.1
125.02370	1.0
133.02847	1.0
135.04465	1.8
145.02908	3.8
148.05219	0.7
161.02383	2.8
161.04494	1.6
163.03954	6.9
167.14438	3.2
179.03571	0.9
181.01480	0.7
193.15956	1.1
204.04221	0.8
207.17627	1.0
211.77682	0.8
219.06544	0.9
223.20717	2.4
231.17491	0.9
249.18597	7.8
250.18933	1.0
267.19717	100.0
268.19971	7.2
275.16592	12.4
276.16855	1.3
293.17667	66.6
294.18002	5.8
311.18689	12.0
312.19070	1.2
325.11261	1.1
347.14514	1.1
349.16681	1.6
367.21338	7.5
368.21893	0.9
385.14258	2.1
385.22400	71.8
385.64087	1.0
386.22803	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	387.146
Annotation	MEDIORESINOL
Peak:m/z	Relative Intensity
55.01778	1.7
57.01779	1.7
58.97766	1.8
59.01266	24.4
61.83825	1.7
71.01260	16.6
71.56799	2.8
73.02839	5.5
83.01302	1.9
85.02859	4.9
87.00783	3.9
89.02358	5.4
99.00787	1.8
101.02314	10.2
109.02868	3.4
113.02365	7.9
121.02894	2.6
122.03706	1.7
123.00807	6.5
123.04475	5.6
131.04962	2.9
133.02911	3.6
134.03711	2.0
135.04475	2.4
135.79893	1.8
136.01567	2.3
137.02377	21.5
138.03160	14.6
143.03459	1.8
145.02908	3.9
146.03685	3.6
147.04466	7.1
148.05264	8.6
149.06007	7.3
150.03162	3.4
151.03961	4.8
153.05524	28.2
159.03252	2.9
159.04480	19.0
160.05255	25.4
161.02409	8.0
161.04506	10.8
161.05991	6.9
162.03198	4.5
163.03932	2.8
165.01881	7.3
166.02625	2.4
174.03214	6.0
175.07626	7.7
176.04758	4.7
177.05533	90.3
178.06306	26.0
179.03464	6.1
179.06906	3.0
180.04262	8.0
181.04994	2.6
183.06612	5.1
187.03958	11.1
188.04762	13.9
189.05307	2.3
190.80418	1.8
191.03473	3.3
191.07114	30.7
192.04243	3.7
192.07869	10.2
194.05836	3.9
195.06604	5.3
203.07123	96.7
204.07463	6.2
206.05843	23.6
210.05318	11.9
219.70393	2.0
220.07387	6.1
221.08195	100.0
222.08525	9.9
224.06911	26.6
224.08907	2.8
225.07329	1.8
233.08369	2.7
241.35320	1.9
251.07109	1.9
266.05908	2.3
283.06161	4.5
296.07199	2.2
298.08487	2.7
298.58978	2.0
299.09244	2.0
309.07986	2.5
313.10782	16.2
314.11444	2.2
315.18289	9.5
321.07956	3.4
324.06345	2.9
329.13931	3.5
339.08740	7.3
341.14139	3.8
343.11923	7.8
354.11163	5.2
357.13577	13.9
358.13660	3.0
369.13513	37.1
370.13852	3.7
372.12708	2.2
387.14719	47.4
387.19641	2.4
387.24231	8.5
388.14877	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	385.1511
Annotation	Unknow
Peak:m/z	Relative Intensity
55.55510	0.6
57.60236	0.6
57.97355	0.6
58.70538	0.6
59.01267	100.0
60.01605	1.2
71.01270	7.5
71.17139	1.2
73.02847	8.8
74.38848	0.7
79.03830	0.6
83.01303	1.0
85.02867	2.3
89.02356	1.0
91.05413	1.0
99.00789	0.8
101.02369	5.1
109.02868	3.1
109.06518	0.8
113.02370	3.0
119.04963	3.8
120.83399	0.7
121.02905	2.3
121.06543	1.3
123.04464	8.4
124.01595	0.8
125.02435	0.9
133.02895	1.7
135.04420	4.2
137.02422	1.2
137.06023	4.7
145.02914	1.2
148.05254	19.1
149.07410	0.7
151.03941	4.3
153.05574	1.5
157.86946	0.7
159.03017	1.5
161.02483	1.4
161.04517	22.5
162.04791	1.0
163.03970	5.3
163.07611	16.7
164.07956	0.8
166.02708	1.2
179.03528	0.9
180.04219	0.8
181.05042	41.4
182.05415	2.9
344.07541	0.9
385.11755	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	385.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01268	2.4
71.01272	0.6
71.59992	0.1
71.60368	0.1
73.02853	0.2
85.02858	0.4
89.02341	0.3
89.28153	0.1
93.03371	0.1
95.04964	0.1
96.05825	0.1
96.95875	0.1
97.02840	0.1
101.02373	0.4
108.02112	0.7
113.02356	0.2
117.03384	0.2
119.03394	0.1
119.04979	0.2
122.03648	1.0
123.04440	19.8
124.04767	0.7
132.70586	0.1
145.02895	1.1
146.03253	0.2
148.05228	0.3
161.02426	0.2
161.04532	0.1
162.06810	0.1
163.07594	19.5
164.04735	0.4
164.07962	0.8
165.05521	4.2
166.05739	0.1
179.07016	0.2
180.07869	1.6
181.08662	100.0
182.09006	5.7
223.09798	0.2
243.02844	0.3
271.02255	0.2
272.02856	0.2
291.08740	0.3
292.09256	0.2
300.02405	0.2
309.07840	0.1
314.04352	0.3
315.04773	0.3
325.07242	0.3
325.12933	0.6
329.06604	0.1
343.13937	0.2
384.59943	1.0
385.10233	0.2
385.15030	5.6
386.15283	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1302
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49718	0.7
59.01263	31.6
61.98709	1.3
70.14722	3.9
71.01270	2.1
83.01271	1.1
89.02311	1.2
91.75350	0.7
92.51399	0.7
93.03368	6.8
101.02312	1.2
108.02074	16.5
109.07071	0.8
113.02414	0.9
117.03371	11.7
119.04943	33.8
120.05282	2.2
121.02872	17.3
123.04434	16.1
123.08073	0.8
130.04155	1.5
132.02089	1.1
134.03654	15.1
143.04959	13.4
144.05725	1.8
145.02885	29.6
145.06525	66.2
145.44466	0.8
146.03581	1.6
146.06848	2.9
147.04494	1.3
149.06001	4.4
151.00485	0.7
158.03683	0.9
159.04437	8.5
160.05229	10.0
161.02435	1.5
162.03152	1.1
163.03944	12.9
163.07407	0.8
173.06084	1.2
174.03114	1.0
175.03928	1.5
175.07616	5.5
187.03957	1.8
188.04756	6.4
189.05548	25.8
190.05948	1.7
201.05505	1.3
203.03477	3.3
203.07098	1.5
204.04260	100.0
205.04633	7.1
219.06619	83.1
220.07007	4.7
251.38039	0.8
266.09576	4.0
279.38074	0.8
281.11887	11.2
282.12320	1.3
325.10889	56.2
326.11243	6.1
385.12906	25.2
385.16891	1.9
386.13474	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	385.13
Annotation	Unknow
Peak:m/z	Relative Intensity
57.44426	0.6
59.01267	29.3
61.98740	1.0
66.66009	0.7
71.01263	1.5
71.59417	0.7
83.01268	1.2
93.03355	7.7
101.02374	1.0
108.02077	17.7
117.03373	12.3
119.04948	34.7
120.05281	2.0
121.02872	17.4
123.04435	15.8
125.78671	0.8
132.02098	1.4
133.02885	2.0
134.03668	15.3
135.04033	0.9
139.07611	1.3
142.44905	0.8
143.04976	12.8
144.05667	1.2
145.02890	32.0
145.06531	62.8
146.03354	2.3
146.06889	2.9
149.06084	4.8
151.07559	1.8
157.06535	1.0
158.03673	1.4
159.04474	7.1
160.05273	10.0
162.03137	1.7
163.03964	14.6
174.03136	1.1
175.03949	1.5
175.07611	7.3
176.04857	0.8
181.07678	0.8
182.82744	0.7
187.04010	1.3
188.04738	6.2
189.05550	22.3
190.05858	1.4
201.05481	1.2
203.03448	2.7
203.07188	1.6
204.04266	100.0
205.04601	6.1
219.06633	76.1
220.07007	4.6
266.09506	5.2
276.07999	1.0
281.11920	10.6
325.10895	54.0
326.11218	6.6
385.12921	25.4
385.16843	1.6
386.13412	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.115
Annotation	1-O-b-D-glucopyranosyl sinapate
Peak:m/z	Relative Intensity
57.03354	0.3
58.00474	0.6
59.01268	12.2
65.31953	0.3
69.43936	3.2
69.52087	0.5
71.01273	5.9
72.99221	0.6
84.08337	0.3
84.20603	0.4
85.02872	1.7
87.00776	0.5
89.02338	5.4
91.01772	0.7
93.03349	0.4
96.00455	0.4
96.78694	0.4
101.02354	3.5
104.38802	0.3
113.02377	3.3
119.01277	2.5
119.03413	1.7
121.02863	0.6
125.25555	0.4
135.04472	1.8
147.00801	2.1
149.02406	5.0
152.01126	0.4
161.02437	1.8
161.04538	0.4
163.03973	0.7
163.07574	0.9
164.04773	7.6
165.01834	0.6
171.90440	0.4
175.00340	16.8
176.00696	0.9
179.03494	1.7
179.05722	0.6
179.07079	2.0
189.01929	0.7
190.02701	61.2
191.03047	3.7
193.01392	1.0
205.05061	100.0
206.05450	7.2
207.02856	0.4
208.03789	3.1
217.01447	0.4
221.08185	1.5
223.06133	22.8
224.06406	1.7
232.03770	1.4
247.03757	0.7
247.06142	6.5
265.07169	3.1
295.08389	1.3
325.09341	2.1
385.11450	7.8
385.15799	0.6
386.11990	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.115
Annotation	4-O-beta-D-Glucosyl-sinapate
Peak:m/z	Relative Intensity
50.90732	0.8
53.43005	0.7
59.01263	5.8
70.45675	2.7
71.01272	3.6
72.99185	2.1
73.02837	3.4
75.00766	3.4
75.19424	0.7
83.01265	1.4
85.02863	2.9
87.00773	4.8
89.02327	0.9
94.43492	0.8
101.02335	2.0
101.20099	0.7
113.02330	0.8
113.99519	1.5
115.00284	6.2
118.23901	0.7
135.04460	1.0
149.02438	1.2
154.72430	0.7
161.02379	1.2
163.03993	0.8
165.22115	0.8
174.01663	56.1
175.02422	6.6
179.03470	1.4
179.07040	0.7
190.02647	1.3
193.01521	0.7
193.05232	0.9
207.06549	1.1
208.03699	0.9
209.08224	2.7
223.04297	1.1
223.06168	3.2
239.09366	2.0
265.07068	1.0
267.08817	2.8
292.25946	0.8
295.08264	6.5
325.09393	10.9
326.09439	1.4
371.60754	0.8
385.11487	100.0
386.11850	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	385.1147
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00467	0.5
59.01266	20.8
60.48970	0.4
71.01279	4.0
72.99210	0.6
73.02836	6.7
83.01275	0.7
85.02842	1.1
88.01831	0.4
88.14837	0.5
91.05443	2.2
93.03367	1.3
98.19770	1.2
101.02345	2.6
107.04947	0.7
109.02869	7.9
109.06497	3.8
113.02360	1.1
117.03393	1.6
119.04954	7.2
121.02875	8.0
121.06467	1.0
122.03642	0.8
123.00761	0.6
123.04444	24.6
124.01598	1.0
124.04805	1.2
125.02380	1.1
133.02898	1.9
133.06494	0.9
135.04448	8.6
136.04771	0.7
137.02397	2.4
137.06013	9.4
139.00345	1.3
140.01067	2.7
145.02890	2.7
146.03670	0.5
148.05229	11.9
149.05914	0.9
150.03102	0.5
151.03949	11.1
152.01175	0.5
152.04330	0.8
153.05499	3.4
161.02411	1.2
161.04520	13.8
161.05974	1.3
161.07216	0.5
162.04794	0.9
163.03970	15.2
163.07603	8.2
164.04428	0.9
166.02670	3.6
177.05562	0.9
179.03465	1.3
180.04234	1.2
181.05037	100.0
182.05383	5.3
194.81367	0.6
205.05139	0.8
282.03836	0.5
283.20148	0.5
344.07275	0.5
385.11432	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	383.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
58.09401	0.2
59.01256	0.6
59.54826	0.2
63.39954	0.2
69.85320	1.5
90.07507	0.2
98.20434	0.4
113.02357	0.3
117.03375	23.2
118.00999	0.2
118.03608	0.3
118.04269	0.3
119.04942	5.5
121.02874	3.5
123.04444	1.0
133.02890	1.1
134.03615	0.5
145.02885	96.4
146.03233	4.3
162.03203	1.4
163.03957	2.6
205.12253	0.3
219.13963	0.6
221.15514	0.3
267.11594	0.3
315.16080	0.8
347.67889	0.2
383.22351	100.0
384.22681	16.0
384.30054	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2238
Annotation	Gerronemin B
Peak:m/z	Relative Intensity
54.63292	0.3
54.83709	0.2
59.01253	0.9
71.01253	0.4
89.02328	0.3
117.03371	23.5
118.03606	0.4
119.04939	7.2
121.02869	6.2
123.04440	1.7
133.02910	1.2
134.03656	0.6
140.18250	0.3
145.02882	88.9
146.03221	4.0
162.03192	2.3
163.03955	2.8
195.16847	0.3
219.14035	0.4
221.15395	0.5
315.16074	0.9
323.10065	0.3
341.10696	0.3
383.22348	100.0
384.22675	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	385.0785
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55346	0.9
57.03334	1.3
57.84035	0.8
59.01270	4.7
60.99183	1.3
67.01784	3.0
71.01272	3.6
71.49436	1.3
72.99203	4.6
73.02840	2.2
81.03329	1.4
83.01279	1.9
83.04898	1.2
85.02847	13.4
87.00767	8.1
93.03358	25.1
95.01276	1.6
95.04929	1.6
105.03378	2.1
109.02875	3.8
111.04449	4.6
121.02862	11.2
123.00801	2.4
123.04453	1.8
125.02373	2.0
127.03912	1.7
129.01897	1.9
135.04463	4.2
137.02383	13.3
139.03949	12.6
148.01619	1.1
148.41325	0.9
149.02383	21.0
150.02782	1.0
151.03946	2.3
153.01897	1.0
164.01053	0.9
165.01898	6.3
167.03438	6.2
171.02972	1.1
173.04488	17.9
174.01656	2.9
179.03500	1.9
179.07117	3.4
191.05585	100.0
192.05911	4.1
193.01393	26.3
194.01656	1.3
208.24043	0.9
211.02460	3.5
213.03934	1.1
223.04547	1.4
247.04572	2.4
282.63699	1.0
289.71201	0.9
367.06787	2.9
385.07605	15.7
385.11636	2.4
386.08322	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	383.1357
Annotation	Unknow
Peak:m/z	Relative Intensity
57.39949	0.1
59.01249	0.4
59.33477	0.1
66.51464	0.1
69.50762	0.6
69.51191	0.5
92.78120	0.1
98.19833	0.3
119.04975	0.7
129.40807	0.1
130.57587	0.1
135.04396	0.2
137.02357	1.1
138.03198	0.1
145.02859	0.2
148.99843	0.1
163.03963	1.9
164.04738	96.7
165.05074	5.2
179.07098	100.0
180.07440	6.5
195.50893	0.1
215.85013	0.1
222.82524	0.1
238.81049	0.1
341.12375	0.2
383.13498	1.6
384.13840	0.2
386.64471	0.1
391.41077	0.1
405.97244	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	383.1358
Annotation	Unknow
Peak:m/z	Relative Intensity
55.94878	0.1
59.01264	1.9
69.40565	1.3
71.01264	0.2
117.03374	0.2
119.04936	0.3
135.04456	0.5
137.02365	1.0
145.02870	0.9
145.58638	0.2
157.60501	0.1
161.02420	0.4
162.03127	0.3
163.03960	2.7
164.04739	100.0
165.05077	5.5
177.05563	0.6
178.06248	0.2
179.07098	83.8
180.07434	4.8
220.47032	0.1
221.08205	0.5
223.13405	0.2
267.12396	0.2
296.77249	0.1
314.04443	0.2
323.11404	0.6
341.12448	1.0
383.13608	1.1
384.11337	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1358
Annotation	Unknow
Peak:m/z	Relative Intensity
58.95351	0.2
59.01265	1.9
62.77012	0.2
69.67419	1.4
71.01283	0.9
98.20520	0.4
101.02380	0.2
131.17374	0.2
137.02357	0.7
163.03978	1.7
164.04745	86.3
165.05089	4.1
177.05553	0.2
179.07103	100.0
180.07443	6.6
183.10237	4.2
184.10612	0.3
185.10852	0.2
187.74161	0.2
196.01956	0.2
221.08182	0.5
225.31630	0.2
323.11261	0.3
341.12485	9.2
342.12796	1.2
383.13449	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1204
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33564	0.2
57.03335	0.4
59.01260	1.9
64.75779	0.2
66.94955	0.2
67.01779	0.3
69.03344	0.3
71.01270	1.1
73.02836	0.4
73.99548	0.2
81.03342	0.4
83.04879	0.4
85.02847	12.2
86.03164	0.3
87.00779	2.3
93.03370	3.9
95.01287	0.2
99.00816	0.5
99.04427	0.8
102.69853	0.2
109.02868	1.0
111.04444	1.7
112.04831	0.2
113.02365	0.3
114.90835	0.2
124.33178	0.2
127.03941	3.1
132.31062	0.2
132.71184	0.2
143.03484	0.2
155.03455	0.2
171.02948	0.9
173.04533	1.4
191.05592	100.0
192.05933	4.8
201.42140	0.2
296.24945	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1278
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01270	9.8
59.70058	1.2
61.98731	1.5
62.45185	1.0
62.85120	1.0
62.87443	1.2
71.01259	3.3
71.57977	2.0
71.58352	1.5
85.02848	2.3
87.00777	1.3
89.02298	1.5
93.69121	1.3
97.06528	1.9
101.02374	2.8
113.02370	2.8
117.03400	1.2
119.04912	1.5
123.67188	1.4
133.02885	6.4
133.40054	1.4
134.03664	2.9
135.04453	32.5
137.02356	3.6
145.02917	5.7
161.02394	27.9
161.04428	2.1
162.02785	1.8
163.03900	2.1
164.04761	3.8
177.32455	1.3
179.03447	16.1
179.07053	3.1
185.42468	1.4
230.26190	1.2
323.10172	2.4
345.13791	1.5
347.15091	100.0
348.15472	11.6
404.82748	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	383.1357
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21374	0.1
59.01266	2.4
59.38652	0.1
71.01273	1.2
72.49757	0.1
97.02861	0.4
101.02290	0.1
113.02351	0.3
123.30856	0.1
135.04440	0.4
137.02370	1.0
138.03209	0.2
143.03397	0.2
161.02361	0.4
162.03227	0.1
163.03937	1.7
164.04736	95.0
165.05077	4.8
170.31775	0.1
177.01865	0.2
177.05493	0.4
178.06305	0.3
179.07097	100.0
180.07436	5.7
221.08154	0.7
245.08199	0.3
323.11478	0.3
341.12476	7.0
342.12863	0.7
383.13330	0.4
383.21112	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1356
Annotation	Unknow
Peak:m/z	Relative Intensity
55.23205	0.6
57.32935	0.9
58.90723	0.8
59.01271	2.1
60.53595	0.7
66.34550	0.8
70.46317	2.3
70.46725	1.2
71.04905	0.7
73.02835	2.0
78.95795	3.9
101.02341	0.7
133.06522	38.8
133.19855	0.7
134.06897	1.5
135.04497	0.8
137.02310	0.8
139.95744	0.7
145.02888	1.0
152.99510	3.2
161.02454	1.1
163.03955	2.5
164.04739	100.0
165.05119	5.0
179.07100	96.8
180.07477	5.8
191.27539	0.8
222.00746	0.7
283.21921	0.8
285.58023	0.7
332.82626	0.8
383.14099	2.3
384.11517	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	382.2969
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	100.0
60.01605	0.6
60.56150	0.6
63.99779	0.5
64.43990	0.5
67.13321	0.5
67.48255	0.5
71.01272	1.0
71.58589	0.7
73.26180	0.6
88.66937	0.6
145.02899	1.2
164.04796	1.5
179.07127	1.2
190.74893	0.6
300.16925	1.8
373.63568	0.6
376.63733	0.6
382.21326	2.2
383.22296	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.0841
Annotation	Unknow
Peak:m/z	Relative Intensity
57.44635	0.6
59.01255	1.1
69.74302	0.7
71.01281	0.7
71.46770	1.2
81.03335	0.9
85.02848	8.8
87.00761	2.2
93.03366	2.6
100.02370	0.6
111.04420	0.7
116.38924	0.6
119.14828	0.7
127.03941	1.7
173.04494	0.9
190.95912	0.8
191.05588	100.0
192.05922	3.8
221.61035	0.6
228.85007	0.6
291.04877	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1151
Annotation	1,3-O-di-trans-p-Coumaroylglycerol
Peak:m/z	Relative Intensity
59.01257	4.6
61.98718	1.1
62.33167	0.4
70.77454	0.4
71.01270	1.4
71.59646	0.7
71.80890	0.4
74.97201	0.5
89.02341	0.8
98.16969	0.4
113.02361	1.1
117.03379	0.6
119.04943	61.3
120.05305	3.5
134.03656	1.5
135.04446	11.3
137.45476	0.5
145.02869	2.4
145.56764	0.5
161.02423	1.7
163.03955	100.0
164.04340	5.0
164.05870	0.5
179.03467	8.2
179.07071	1.4
185.15353	0.6
186.15776	0.7
219.06616	0.8
237.07692	1.6
323.09790	0.9
341.11041	0.6
347.15100	1.1
361.47836	0.5
383.11456	16.7
383.16281	0.8
384.11682	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	381.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
58.51564	0.3
59.01261	2.5
61.98693	0.4
70.17346	1.9
78.95795	2.6
83.04913	0.6
84.74905	0.4
86.39117	0.4
93.03352	1.2
105.78938	0.4
117.03375	38.2
118.04254	1.0
119.04945	38.2
120.05272	1.8
121.02873	26.1
122.03216	0.9
123.04443	8.5
133.02896	6.3
134.03688	2.5
141.34793	0.4
145.02893	33.7
146.03227	2.2
149.02368	0.5
152.99547	5.5
162.01891	0.8
162.03183	9.6
163.03964	48.0
164.04323	2.1
174.99239	0.7
206.50990	0.4
217.00320	3.9
299.16605	0.7
310.39651	0.4
337.21857	1.2
381.20792	100.0
382.21130	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	381.2081
Annotation	Lehmannolone
Peak:m/z	Relative Intensity
57.82563	0.2
58.71188	0.2
59.01255	0.6
69.49466	2.1
83.92117	0.2
87.75674	0.3
93.03350	1.1
98.20527	0.3
105.03362	0.5
106.04126	0.6
109.02840	0.7
111.00779	0.8
111.23634	0.3
119.14409	0.3
121.02861	3.2
133.02884	16.4
134.02184	0.3
134.03668	17.8
135.04472	6.1
137.02376	21.1
138.02699	1.0
139.03949	7.2
140.04202	0.3
145.02895	0.8
149.02377	0.3
150.03185	1.9
157.65358	0.2
161.02391	23.0
162.02721	1.2
165.01886	1.0
166.54747	0.3
177.01915	1.0
178.02669	9.8
179.03456	4.7
180.03844	0.4
201.09195	0.5
217.00314	0.3
281.15649	0.3
299.16611	1.6
337.21848	2.2
347.03467	0.2
381.20782	100.0
382.21124	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	381.2081
Annotation	Gancaonin R
Peak:m/z	Relative Intensity
55.54987	0.2
59.01273	1.3
59.55000	0.2
71.30760	0.5
77.74682	0.2
78.67487	0.2
81.77258	0.2
93.03379	0.7
97.06520	0.3
108.02003	0.3
111.13821	0.2
117.03382	37.0
118.03567	0.6
118.04173	1.4
119.04948	37.5
120.05267	1.7
121.02874	26.3
122.03208	0.9
123.04446	8.9
125.81330	0.2
132.02092	0.3
133.02885	5.4
134.03687	2.6
145.02895	35.2
146.03242	1.9
149.02394	0.7
152.99542	0.4
162.02116	0.2
162.03174	9.2
163.03960	48.3
164.04315	2.3
185.09737	0.4
217.00314	1.7
239.14485	0.3
251.10097	0.3
273.88239	0.4
285.30038	0.3
308.22476	0.7
337.21808	1.0
381.20795	100.0
382.21143	15.2
382.26187	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
58.59764	0.5
59.01262	2.9
74.62796	0.5
75.26408	0.5
81.06989	0.7
92.12216	0.5
93.03362	1.1
95.04913	0.9
99.76740	0.5
105.03368	2.6
117.03378	31.3
118.03642	0.7
119.04945	16.4
120.05272	0.8
121.02885	12.2
123.04433	4.8
133.02885	19.4
134.03705	1.2
145.02890	100.0
146.03233	4.2
162.03174	6.3
163.03900	1.2
177.01889	10.4
217.00247	2.3
217.04845	0.5
253.15842	0.6
299.16599	26.9
300.16986	2.9
309.22433	1.8
327.60416	0.5
337.21823	1.7
381.20792	84.7
382.21143	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	381.2079
Annotation	Lehmannolone
Peak:m/z	Relative Intensity
58.77626	0.4
59.01257	0.9
69.91696	1.1
69.92089	0.8
78.95805	1.4
93.03355	0.8
95.04897	0.6
97.06486	0.7
97.92442	0.4
117.03381	43.2
118.03595	0.9
118.04307	0.6
119.04960	6.8
121.02873	29.3
122.03223	1.3
123.04443	9.7
124.04771	0.6
133.01955	0.8
133.02878	6.5
134.03671	3.4
145.02892	70.1
146.03255	3.0
147.04466	0.4
147.08084	0.9
149.02417	0.7
152.99527	1.8
156.05711	0.8
162.03175	14.7
163.03935	2.7
183.11452	0.4
217.00296	1.7
217.94551	0.4
319.20734	0.7
337.21878	2.6
338.22192	0.8
381.20792	100.0
382.21140	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	379.2861
Annotation	Persin
Peak:m/z	Relative Intensity
55.48193	0.5
59.01255	0.7
71.57574	0.5
71.57911	0.9
79.88670	0.5
96.80616	0.5
103.31423	0.5
110.68319	0.4
126.70390	0.4
154.69646	0.4
231.87801	0.5
241.17799	0.5
259.96469	0.5
289.56607	0.5
298.89624	0.5
347.25949	9.0
348.26227	1.3
363.15460	0.8
379.28604	100.0
380.28958	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	380.0633
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08934	0.4
53.19085	0.4
56.08502	0.4
59.01255	1.6
64.01488	0.8
64.01807	11.7
65.00195	1.4
65.99738	9.3
66.03361	0.7
67.01764	0.8
69.45647	3.8
71.01281	0.8
72.99188	0.7
73.02842	0.8
77.03844	0.5
78.03397	0.7
78.95793	7.4
81.03382	0.5
83.01279	0.9
85.02848	0.5
87.00777	0.5
90.03402	1.4
92.01331	0.9
93.03348	4.2
94.02888	2.5
95.04925	0.9
96.53423	0.5
96.96845	1.0
104.02610	0.7
105.02143	0.5
105.03360	4.1
106.02901	3.5
107.01280	2.3
108.59335	0.5
109.02859	1.7
109.99998	0.5
111.00751	0.6
111.04438	1.2
113.02426	0.5
116.01364	0.8
120.00805	2.1
121.01611	1.1
121.02892	0.8
122.02407	5.0
123.00790	1.7
123.03189	2.6
123.04439	0.8
124.01541	0.5
124.03946	1.9
125.02306	0.5
133.02881	50.8
134.02415	4.8
134.03748	3.4
135.04437	1.7
136.03973	1.1
137.02382	4.7
139.03914	0.9
148.01559	0.7
149.02394	3.1
150.01891	3.4
150.03157	3.5
151.00307	0.8
151.02675	0.7
151.03952	1.1
152.03487	2.2
152.99533	19.5
160.01636	0.5
161.01138	2.1
161.02380	0.9
162.01921	14.9
163.02602	0.7
163.99854	0.9
165.00620	3.2
171.00551	1.1
176.01157	2.3
177.01892	49.5
178.02577	2.1
178.99823	0.6
179.03377	1.0
180.02979	1.5
183.10286	1.7
193.05029	0.4
194.82332	0.4
206.00888	2.1
224.02013	42.3
225.02428	2.0
299.02130	0.5
333.06238	1.2
336.07333	1.4
348.04993	1.0
363.03592	1.6
380.06308	100.0
381.06641	10.2
381.13281	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	381.133
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16443	1.0
58.00450	2.3
59.01265	48.2
71.00897	1.9
71.01270	32.8
71.59406	1.8
71.59770	2.3
72.99161	2.4
83.01285	2.6
85.02840	5.7
86.81400	1.0
87.00796	1.3
89.02338	30.9
89.49384	1.0
95.01285	2.0
97.06432	1.2
101.02351	23.2
113.02356	10.6
119.03435	11.3
127.11144	1.3
161.04486	1.7
179.05563	1.7
201.11378	6.5
257.28412	1.2
276.22934	1.2
317.16064	1.8
381.13232	13.9
381.17691	100.0
382.13559	1.7
382.17996	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	378.1564
Annotation	Unknow
Peak:m/z	Relative Intensity
55.49892	0.7
59.01262	3.7
61.98717	100.0
69.22572	0.6
70.16016	2.3
77.49401	0.7
79.63777	0.7
85.28658	0.7
119.35023	0.7
129.17265	0.7
161.02419	0.9
165.05553	1.0
185.68794	0.7
217.00404	0.8
219.97778	2.9
227.27664	0.8
244.94090	0.6
343.25064	1.2
378.14676	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	379.162
Annotation	3-Methyl-2-butenyl 6-O-alpha-L-arabinopyranosyl-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.01786	1.1
57.03328	1.2
58.00478	4.1
59.01266	90.7
60.01590	1.5
70.97926	0.8
71.01272	80.8
71.57665	1.4
72.01621	2.1
72.78604	0.8
72.81708	0.9
72.99201	5.9
73.02836	7.2
73.44283	0.8
74.64516	0.8
75.00764	4.5
83.01279	5.2
85.02845	18.9
85.99960	0.9
87.00778	4.8
89.02340	100.0
95.01275	4.5
99.00783	3.5
101.02351	48.6
107.03353	1.1
113.02360	34.4
115.81522	0.9
119.03424	34.8
120.03757	1.6
125.02388	1.7
131.03430	20.5
137.09656	1.9
137.80469	0.9
143.03430	8.3
145.09416	0.9
149.04501	16.3
155.10724	5.9
161.04523	11.4
173.11789	1.3
179.05583	24.6
179.07083	1.3
181.08702	3.1
185.53214	0.9
191.03955	1.7
191.05612	24.4
199.09749	8.0
206.80040	0.9
217.10814	7.1
233.06664	9.2
247.11874	12.1
259.11841	1.5
319.14243	1.4
379.16193	38.0
379.23599	1.9
380.16684	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	379.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	100.0
59.47515	0.3
60.01600	1.2
67.22182	0.2
70.73626	0.7
70.73983	0.4
101.02378	0.3
132.30688	0.3
133.06543	0.4
153.99823	0.2
161.02341	0.4
202.00050	0.3
238.12248	0.3
249.18643	0.3
276.94406	0.3
277.16528	0.5
291.39661	0.3
378.57547	1.1
389.75034	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.1563
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73760	0.7
59.01274	1.2
61.98716	100.0
91.27115	0.8
136.82944	0.8
136.98776	0.8
141.19644	0.8
229.73926	1.0
229.75995	1.1
240.88496	0.8
263.33197	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.1566
Annotation	Unknow
Peak:m/z	Relative Intensity
55.66000	0.7
59.01266	1.4
61.98717	100.0
69.79688	5.1
98.19882	1.2
137.02364	6.9
153.83870	0.8
177.01883	1.7
224.64841	0.9
231.94969	0.9
237.04764	0.8
378.15683	8.3
379.15961	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.1565
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01273	1.0
61.98719	100.0
62.26221	0.6
88.43231	0.5
98.19753	1.1
105.11266	0.5
119.04946	0.8
121.32584	0.6
163.03947	0.8
219.97813	0.8
378.14911	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	378.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36441	0.7
59.01256	3.4
59.61012	0.9
61.98717	100.0
71.58216	0.9
86.34243	0.7
92.43723	0.6
98.53783	0.8
168.30252	0.9
192.47968	0.8
219.97784	2.7
307.76456	0.8
376.27451	0.7
378.14661	1.4
400.37521	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.1565
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98718	100.0
69.73689	0.4
69.74136	0.9
69.74659	1.6
71.08032	0.5
84.62411	0.5
102.96056	0.4
133.02943	0.6
161.02414	1.8
179.03581	0.5
270.93741	0.4
283.83957	0.5
296.80643	0.5
315.16061	11.7
316.16522	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
55.83957	7.1
59.01269	87.0
64.42416	7.5
65.08221	8.3
70.25582	22.4
71.01266	77.2
72.99212	19.8
73.02841	18.1
75.00770	19.5
85.02839	38.1
87.00767	12.8
89.02354	22.5
95.01263	11.7
98.19776	8.1
99.00776	8.7
101.02341	32.8
113.02354	25.2
119.03432	10.3
125.02373	9.2
133.26257	8.2
135.04482	20.6
161.02438	14.2
161.04523	24.4
215.09377	8.7
377.10373	8.4
377.14572	100.0
377.18137	10.5
378.14960	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	377.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	100.0
61.98714	32.8
65.99732	3.1
68.94260	2.1
70.83823	2.1
71.58271	2.8
71.58685	3.2
121.06560	2.8
122.02428	2.8
131.92786	2.5
151.11195	2.7
165.05531	86.0
166.05811	4.1
219.97794	7.4
254.79262	2.4
317.17630	36.0
318.17908	5.4
377.14401	42.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.0862
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	52.5
61.28944	2.3
70.46090	9.4
71.01270	37.6
72.99197	2.8
73.02794	3.1
78.95761	3.1
85.02836	6.0
87.00778	7.1
89.02332	49.2
96.40313	2.9
99.00790	2.8
101.02350	19.4
110.98457	2.9
113.02360	17.2
119.03410	16.6
125.02368	4.4
131.03413	2.8
136.81964	2.8
139.16602	2.7
161.04482	7.2
169.01357	3.1
171.02937	2.7
179.05568	20.1
191.05582	4.8
215.03259	17.6
221.06654	3.0
239.34557	3.1
274.23590	2.8
302.67593	3.2
341.10956	100.0
342.11295	7.7
377.08633	81.8
378.08902	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	376.1411
Annotation	(+)-16-Hydroxygalwesine
Peak:m/z	Relative Intensity
59.01260	1.6
60.34226	0.3
61.98717	1.0
64.01805	2.8
65.00217	0.3
65.99737	11.5
66.03365	0.7
70.88853	0.9
78.03384	1.4
83.01299	0.7
90.03387	0.4
92.01349	0.3
93.03343	0.3
95.01286	1.1
105.44154	0.3
106.02891	1.3
107.01292	0.7
112.39875	0.3
116.25037	0.3
117.03368	0.7
118.03745	0.4
119.04937	0.3
121.01618	0.8
121.02903	0.5
122.02406	9.2
123.00831	2.3
123.03193	0.5
124.03919	0.3
132.00880	0.6
133.01759	0.5
133.02866	3.2
134.02422	1.6
139.03941	0.6
139.11298	0.3
145.02878	2.2
146.03221	1.4
148.01579	0.7
149.02364	2.6
150.01909	5.7
150.03064	0.7
161.02357	0.4
162.01909	2.3
162.03120	0.4
169.12325	0.4
176.01152	1.0
177.01891	13.7
178.01260	1.7
206.00964	1.4
224.02031	3.2
258.32346	0.3
269.31372	0.3
316.16431	1.2
353.77011	0.3
376.14093	100.0
377.14456	11.0
377.18488	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.141
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32860	1.0
54.47203	1.0
59.01262	11.3
61.98716	100.0
64.01807	2.2
65.99736	12.2
66.03389	1.3
69.47265	7.3
69.47684	2.8
70.49402	1.0
72.99223	1.6
80.95838	1.1
91.04671	1.1
95.01325	1.2
106.02956	1.3
106.96420	1.1
107.01273	1.3
116.36334	1.1
117.03342	1.1
119.04936	2.4
121.02883	2.5
122.02393	6.5
123.00795	1.8
133.02899	5.8
134.02409	1.5
134.03595	1.3
139.03941	1.3
140.72810	1.1
145.06548	2.3
149.02373	5.0
150.01910	4.3
150.03101	1.2
161.02420	1.6
162.01915	3.1
163.03960	3.7
177.01921	12.9
206.01016	2.0
217.00298	1.3
224.02020	4.3
316.16483	1.3
317.17651	6.1
376.14096	85.1
377.14523	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	376.1411
Annotation	Unknow
Peak:m/z	Relative Intensity
59.93883	0.4
61.98718	100.0
65.24352	0.4
66.04258	0.4
69.67974	0.4
71.08039	0.6
71.08360	0.7
135.04427	2.2
136.16266	0.5
138.59993	0.5
151.55009	0.4
161.02406	1.3
179.03508	1.6
184.24397	0.5
213.82515	0.4
292.30011	0.4
313.14511	11.5
314.15018	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.141
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61907	0.3
59.01266	0.7
61.98717	100.0
70.19214	1.1
72.86722	0.3
73.74271	0.3
74.13409	0.3
76.50289	0.3
98.19840	0.5
101.73678	0.3
128.68355	0.3
133.02850	0.7
134.03725	0.5
135.04449	0.4
147.67535	0.3
159.03642	0.3
161.02382	3.3
179.03484	0.5
190.11696	0.4
293.21252	0.4
294.21710	0.8
313.14508	8.9
313.17874	0.5
314.14969	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.141
Annotation	(+)-16-Hydroxygalwesine
Peak:m/z	Relative Intensity
53.47073	0.2
54.74873	0.2
55.01785	0.3
59.01257	0.7
60.96616	0.2
64.01807	4.5
65.00195	0.4
65.99739	10.2
66.03373	0.5
67.01781	0.2
71.59668	0.4
73.27469	0.2
78.03369	0.8
83.01281	0.8
90.03378	0.5
92.01311	0.5
93.03355	0.5
95.01289	0.9
105.03380	1.0
106.02885	2.0
107.01315	0.4
109.02840	0.3
117.03359	0.2
121.01602	0.5
121.02883	0.4
122.02396	5.8
123.00800	1.4
123.03270	1.2
123.04510	0.3
124.03970	0.6
132.00850	0.3
133.02881	9.5
134.02386	2.3
134.03578	0.9
134.86168	0.2
137.02354	1.5
139.03922	0.9
148.01627	0.3
149.01251	0.2
149.02371	4.5
150.01897	3.7
150.03157	1.7
151.02696	0.4
152.03497	1.0
160.00282	0.3
161.02351	0.5
162.01915	3.1
163.02679	0.4
166.01366	0.3
176.01112	0.4
177.01900	15.0
178.01199	1.3
180.03122	0.2
206.01001	0.3
218.00723	0.2
224.02025	14.2
225.02361	0.7
226.63353	0.2
285.15076	0.2
346.14334	0.6
376.14090	100.0
377.14423	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	376.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01267	2.3
64.01809	4.0
65.00212	0.3
65.99734	11.2
66.03372	1.0
71.01267	0.3
71.58117	0.3
78.03352	0.7
80.01318	0.3
83.01280	0.8
86.56242	0.3
90.03389	0.7
92.01305	0.3
95.01288	0.9
95.04887	0.3
105.03374	0.6
106.02890	1.3
107.01266	0.4
108.02024	0.3
108.10758	0.3
120.00849	0.5
121.01570	0.7
121.02886	0.6
122.02396	7.0
123.00809	1.6
123.03154	0.9
124.03979	0.3
126.21018	0.2
133.01811	0.5
133.02884	8.4
134.02412	1.9
134.03569	0.9
135.04482	1.4
137.02382	1.2
139.03932	1.1
145.02913	0.4
148.01605	0.4
149.02368	5.2
150.01895	4.4
150.03154	1.3
151.02690	0.4
151.11208	0.4
152.03473	0.5
160.00415	0.4
161.02397	2.5
161.21463	0.3
162.01724	2.2
163.02672	0.6
166.01350	0.3
174.99165	0.3
177.01898	14.9
178.01433	1.2
179.03438	0.9
217.00250	0.6
218.00641	0.5
224.01997	9.7
225.02348	0.3
271.72937	0.3
318.10461	0.3
346.14334	0.6
376.14090	100.0
377.14383	14.5
385.77271	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.1407
Annotation	(+)-16-Hydroxygalwesine
Peak:m/z	Relative Intensity
50.67062	0.3
51.39911	0.3
52.46260	0.2
53.30619	0.3
55.01766	0.3
59.01267	0.3
59.91156	0.3
64.01813	3.1
65.99738	13.3
66.03368	0.8
67.01773	0.4
69.46937	2.6
71.01273	0.3
78.03387	0.9
83.01297	0.7
87.36438	0.3
90.03419	0.6
93.03333	0.4
95.01289	1.1
96.07497	0.3
106.02882	0.6
107.01279	0.9
115.33998	0.3
120.00832	0.4
121.01637	0.6
122.01540	0.6
122.02399	8.1
123.00787	1.9
132.00858	0.3
133.01733	0.5
133.02863	2.0
134.02426	1.4
138.01945	0.3
139.03938	0.4
148.01625	1.0
149.02377	3.4
150.01909	5.0
150.03020	0.3
151.11218	1.2
160.00356	0.6
162.01958	2.0
166.01425	0.5
176.01135	1.5
177.01903	12.1
178.01279	1.5
206.00955	1.5
219.82388	0.4
221.15234	0.7
222.15787	1.0
224.02051	0.9
236.10481	0.6
237.10870	0.8
289.57828	0.3
293.91837	0.3
294.17874	0.8
357.01312	0.4
376.14087	100.0
377.14426	12.5
377.18213	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.1408
Annotation	(+)-16-Hydroxygalwesine
Peak:m/z	Relative Intensity
52.14042	0.2
53.24572	0.1
59.01278	0.4
64.01812	4.3
65.00224	0.2
65.99738	9.7
66.03368	0.6
67.01786	0.4
71.29345	0.5
77.91103	0.2
78.03405	0.9
83.01273	1.0
90.03387	0.5
91.65504	0.2
92.01315	0.2
93.03368	0.4
95.01286	0.8
105.03367	0.9
106.02888	1.5
107.01310	0.3
120.00797	0.3
121.01601	0.4
121.02851	0.4
122.02406	6.3
123.00817	1.4
123.03216	1.1
124.03923	0.5
132.00807	0.2
133.02890	8.5
134.02420	1.9
134.03590	1.1
137.02376	1.2
138.01898	0.3
139.03940	0.9
148.01572	0.3
149.01228	0.3
149.02374	4.4
150.01901	3.5
150.03116	1.4
151.02580	0.5
151.11208	0.3
152.03473	0.7
160.00327	0.4
161.02411	0.3
162.01924	3.5
163.00349	0.2
163.02602	0.4
166.01390	0.2
177.01898	14.3
178.01199	1.4
206.01007	0.4
224.02016	12.4
225.02367	0.5
255.65137	0.2
346.14258	0.5
376.14096	100.0
377.14438	11.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.1411
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	0.4
59.01253	0.7
61.98712	0.7
64.01813	2.4
65.00202	0.5
65.99737	13.9
66.03376	0.8
66.49574	0.2
67.01778	0.3
69.80983	0.6
69.81413	0.6
74.64561	0.2
76.01771	0.2
77.48476	0.2
78.03391	1.4
83.01283	1.3
90.03411	0.4
92.01315	0.3
93.03372	0.4
95.01299	1.2
105.03378	0.5
106.02899	0.7
107.01300	0.6
117.29615	0.2
120.00809	0.3
121.01629	0.7
121.02863	0.4
122.02398	7.9
123.00811	2.0
123.03185	0.3
132.00826	0.5
133.01752	0.4
133.02884	2.4
134.02412	2.0
134.03427	0.3
134.03596	0.3
137.02382	0.4
138.01848	0.4
139.03929	0.9
139.11172	0.3
148.01579	0.7
149.02377	4.0
150.01897	4.2
150.03024	0.4
152.03426	0.2
155.76743	0.2
160.00339	0.8
161.02411	0.4
162.01912	2.8
163.00398	0.3
163.02304	0.2
166.01382	0.4
176.01151	0.6
177.01901	15.3
178.01195	1.9
179.02057	0.2
190.01454	0.2
206.00975	0.7
218.00656	0.2
224.02046	1.5
346.14212	0.4
376.14087	100.0
377.14438	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	375.2159
Annotation	Maoecrystal G
Peak:m/z	Relative Intensity
54.52464	1.1
57.43105	1.6
59.01262	74.7
60.01620	2.7
61.98716	86.3
62.32581	1.5
68.15848	1.4
71.57910	2.8
83.30210	1.3
95.04938	6.1
101.83157	1.6
112.62496	1.5
121.02968	1.5
121.10149	26.9
122.10511	2.3
125.09653	2.4
135.04456	2.1
145.02972	1.6
149.09723	2.2
161.02507	2.2
171.10225	63.1
172.10582	3.2
174.99228	4.6
177.16519	1.4
183.13940	3.3
185.11769	1.9
199.75259	1.5
205.12291	1.9
207.10100	1.8
217.00349	20.5
231.21262	7.2
250.31300	1.4
253.09444	2.8
275.20212	99.7
276.20532	9.1
278.11377	10.0
293.21304	100.0
294.21622	9.6
297.18451	1.6
313.14664	5.8
315.16071	2.1
315.19455	45.1
316.19949	4.4
329.17429	2.8
343.22162	1.4
359.18591	10.3
360.18942	2.3
374.99396	1.7
375.21497	49.9
376.14182	9.6
376.21942	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	376.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01264	5.9
60.01587	0.4
61.98703	0.9
64.01807	3.0
65.00198	0.3
65.99738	13.3
66.03374	0.8
66.22964	0.3
71.58306	0.4
78.03381	0.9
83.01274	1.0
84.00233	0.4
95.01289	1.2
105.03378	0.4
106.02888	0.6
107.01307	0.8
117.03384	0.4
117.21918	0.4
121.01664	0.8
121.02821	0.6
122.02396	7.6
122.03271	0.5
123.00790	2.8
123.03252	0.4
132.00851	0.4
133.01704	0.5
133.02873	3.4
133.70122	0.4
134.02396	1.8
134.03334	0.6
135.04416	1.1
136.04788	0.8
139.03925	0.8
148.01587	1.6
149.02396	3.5
149.03499	0.6
150.01926	6.3
151.00441	0.4
151.11209	1.3
152.03421	0.6
160.00392	0.9
161.02394	2.1
162.01767	2.3
166.01495	0.4
176.01115	1.2
177.01901	15.7
178.01225	1.9
179.03468	1.4
180.03830	0.4
206.00941	1.4
217.00262	0.6
218.00632	0.8
224.01920	0.6
332.15894	0.7
376.14102	100.0
377.09479	0.6
377.14404	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	375.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63272	0.5
59.01266	100.0
60.01600	1.3
62.35329	0.5
69.35115	1.9
69.35540	3.5
71.01273	1.7
73.02850	1.3
85.02867	0.9
100.90785	0.5
101.02380	1.6
113.02389	0.7
161.04530	2.7
217.00322	1.3
315.18024	3.0
345.83582	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61851	0.5
55.10093	0.6
59.01266	100.0
60.01602	1.3
61.98717	1.3
69.86035	3.5
71.01266	2.9
72.99176	0.6
82.05592	0.5
85.02859	1.0
89.02348	0.7
96.95943	0.6
101.02363	1.6
113.02370	1.0
119.03521	0.5
133.02933	1.0
134.03702	1.1
135.04404	0.6
160.01617	1.4
161.02422	1.3
161.04555	2.1
168.22939	0.5
174.99274	2.4
175.03999	1.5
179.57979	0.6
217.00331	7.9
261.89630	0.5
296.40451	0.6
311.09714	0.6
315.18216	1.1
360.12271	1.2
375.14697	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	375.1856
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01840	1.3
59.01255	4.2
71.57796	2.4
74.98971	1.4
87.65382	1.1
98.39328	1.5
145.53586	1.2
149.01031	1.3
159.08417	9.6
161.06363	1.9
209.01384	1.5
273.34393	1.2
285.58081	1.3
289.07587	2.0
291.09161	88.1
292.09378	12.3
309.10315	2.2
317.94052	1.5
359.15417	100.0
360.15668	17.7
375.18552	8.8
376.18735	2.0
377.16299	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	375.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
55.17408	0.3
59.01264	100.0
60.01608	1.1
70.44752	1.0
71.01276	2.2
73.02840	0.7
76.62971	0.2
85.02857	1.0
89.02344	0.6
94.80407	0.3
95.01304	0.2
99.00787	0.3
101.02350	1.5
113.02367	0.9
135.13354	0.2
136.30179	0.2
145.02882	0.6
159.02951	0.3
161.04492	2.2
197.32530	0.2
221.83812	0.3
315.18195	3.0
376.11670	0.5
391.53113	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
58.42269	0.3
59.01266	100.0
60.01604	1.2
68.78683	0.3
71.01267	2.6
73.02827	2.2
75.82939	0.3
85.02861	1.3
87.00772	0.3
89.02354	1.2
101.02370	2.5
111.05607	0.3
113.02389	1.3
119.03445	0.6
141.84323	0.3
145.02945	0.4
161.04521	4.1
217.00369	0.9
249.22729	0.4
315.18195	8.0
315.21667	0.4
316.18622	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.182
Annotation	Rhipocephalin
Peak:m/z	Relative Intensity
59.01264	100.0
60.01609	1.3
61.98724	0.5
62.34299	0.4
70.06913	1.0
70.07329	0.9
96.12869	0.4
108.02088	0.8
109.02905	1.0
115.40021	0.4
117.03377	6.4
118.57133	0.3
121.02790	0.4
133.02869	2.5
134.03694	0.6
135.04443	0.4
143.56349	0.3
148.10022	0.3
161.02397	11.6
162.02748	0.6
174.99239	1.4
198.92755	0.4
214.81099	0.4
217.00282	3.9
291.26682	0.4
303.89413	0.4
315.16119	11.5
315.19592	0.8
316.16388	1.0
355.87372	0.4
374.99310	0.5
375.18356	0.4
376.14444	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1856
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08104	0.4
57.29853	0.4
59.01262	1.4
69.40223	0.9
69.40633	3.1
74.98949	2.1
93.00032	1.8
98.19779	0.8
108.10765	0.5
149.00977	0.6
159.08412	10.5
161.06364	2.6
182.16586	0.4
192.98138	0.8
202.04243	0.5
209.01256	2.3
217.07191	1.6
225.00766	0.6
261.93396	0.5
275.06046	1.3
277.07581	2.7
289.07516	2.1
291.09164	93.8
292.09305	12.8
309.10287	2.0
357.13831	2.4
359.15427	100.0
360.15613	18.4
375.13864	0.5
375.18564	8.7
376.18658	1.8
377.16382	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	375.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01268	57.7
60.01588	1.0
61.98708	2.2
64.01811	2.6
65.99738	9.6
66.03380	1.0
66.50140	0.5
68.29991	0.6
70.17293	2.7
71.01296	1.3
72.87912	0.6
78.03378	0.7
83.01286	2.9
87.18398	0.5
93.03367	4.4
95.01270	1.2
107.01259	0.9
110.06283	0.6
117.03378	19.1
118.03699	1.1
119.04959	5.7
121.02877	18.2
122.02430	6.4
123.00795	1.7
123.04427	4.1
130.04208	2.1
131.04926	1.0
132.00948	0.6
132.02095	1.4
133.02888	5.0
134.02394	1.7
134.03667	1.0
143.04962	6.7
144.05772	1.1
145.02895	60.4
145.06538	16.2
146.03215	3.8
146.06863	0.9
149.02419	2.6
150.01961	3.5
150.02954	0.7
154.21645	0.7
158.03650	0.7
159.04449	2.2
159.08122	0.8
161.02379	0.7
162.01907	1.7
162.03146	2.8
162.04488	0.6
163.03922	1.5
172.08853	0.9
174.99213	2.1
175.03999	0.6
177.01910	8.8
178.01364	1.3
188.04796	1.7
189.05545	2.8
206.00990	1.3
215.23161	0.6
217.00342	9.0
224.02130	3.0
241.15794	0.6
253.15958	1.2
271.16977	0.8
292.26691	0.7
315.16089	100.0
316.16400	12.0
333.16455	0.9
374.99115	0.7
375.13416	0.9
375.18103	14.7
376.14105	90.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	23.5
61.98697	10.0
71.56584	14.8
80.21935	8.9
84.25392	8.7
88.99281	10.2
95.56916	9.5
96.87952	10.5
106.96829	9.6
145.02863	21.0
163.03944	19.6
177.01924	21.9
217.00209	14.6
315.16071	40.1
323.12241	10.9
376.14072	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	375.1459
Annotation	Daldinal C
Peak:m/z	Relative Intensity
59.01266	16.3
61.98717	1.0
62.90170	0.4
65.99747	0.7
69.85132	3.1
78.00148	0.6
84.02090	0.5
93.03384	0.7
99.00800	1.1
109.02848	1.6
117.03381	1.3
119.04952	1.9
120.05345	0.6
121.02895	2.8
122.02372	0.6
123.08086	1.2
132.02109	1.9
133.02887	40.0
134.03708	11.9
135.04414	2.0
137.02376	14.8
139.03935	4.2
145.02867	2.7
146.03253	1.1
147.03429	0.8
149.02348	0.9
150.03108	1.0
153.09190	3.1
161.02390	100.0
162.02736	4.9
163.03960	0.9
174.99202	3.8
175.03903	0.6
177.01877	1.1
178.02676	6.7
179.03441	0.8
191.03479	0.5
206.05757	2.6
207.06664	0.5
217.00322	14.2
223.09755	2.0
224.09964	0.7
242.60828	0.6
299.13000	0.8
301.55264	0.5
315.15320	0.8
331.15549	1.6
343.11856	2.4
374.98920	1.6
375.14471	76.4
376.14502	15.9
376.31339	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1305
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00477	2.4
59.01266	100.0
62.64089	1.8
64.27936	2.0
69.98977	10.2
71.01271	49.6
72.99245	2.2
73.02831	3.6
83.01276	2.1
85.02850	6.6
86.25720	2.4
87.00763	8.7
89.02341	65.8
95.01313	2.5
98.19833	3.2
101.02354	30.0
107.04928	2.5
108.02076	3.3
113.02354	20.5
117.03382	9.0
119.03426	27.6
121.02889	4.1
123.04411	3.4
125.02336	3.4
131.03433	3.6
133.02887	3.4
135.04456	39.2
143.03394	3.9
145.02888	28.1
146.03682	11.2
147.04427	10.4
150.03149	2.2
153.01831	7.4
153.05518	15.2
154.99065	1.8
161.02393	36.5
161.04541	6.5
162.03185	39.4
163.03879	2.7
164.04814	2.5
165.05527	6.3
169.08099	1.9
176.95322	1.9
177.02003	1.8
177.05540	38.1
179.05620	11.7
180.04254	6.9
185.19212	1.7
189.01906	3.3
195.06566	23.3
243.47066	2.1
297.09628	2.4
357.07938	2.1
357.12000	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	375.1307
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56433	0.8
59.01267	100.0
60.01615	1.3
61.41667	0.8
61.98716	2.0
65.74255	0.8
70.90343	2.0
71.01271	2.8
79.36433	0.8
89.02391	0.9
101.02377	1.8
107.04948	6.3
125.02377	0.9
135.04453	78.3
136.04794	4.1
153.05522	29.3
154.05865	1.2
161.04457	5.0
193.05032	0.9
213.07750	1.1
297.09918	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	375.0941
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01775	4.2
57.03334	4.6
59.01262	51.7
61.01684	2.7
67.01775	15.1
68.99749	3.6
71.01276	38.4
71.56125	2.6
71.56509	3.5
73.02843	7.1
75.00772	4.9
81.03338	15.7
83.01281	4.8
85.02848	45.1
87.00780	9.0
89.02343	13.8
93.03364	18.2
95.01315	3.8
95.04919	8.9
98.36111	3.0
99.04420	3.4
101.02349	14.6
105.03352	5.7
107.04942	54.7
108.02093	63.7
109.02888	22.1
111.04458	5.1
113.02345	15.7
115.00252	3.1
115.82397	2.7
117.03348	7.2
119.03452	5.7
119.04949	90.7
121.02892	24.2
122.03686	22.3
123.04447	100.0
133.02914	16.1
134.03629	24.9
135.04457	83.2
136.04770	3.8
147.02892	4.2
147.04456	6.0
149.02380	7.0
150.03178	3.8
151.03951	78.1
152.04756	15.7
161.02295	5.3
161.04498	8.9
163.03963	4.7
165.05522	12.6
167.23045	2.9
178.02606	3.8
179.03485	10.0
191.01987	17.6
195.02943	8.1
198.03708	2.6
213.04146	4.5
325.09363	45.7
326.09827	6.2
341.08832	3.8
375.09283	12.7
375.16702	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	375.1307
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62395	1.5
53.85927	1.1
59.01266	100.0
61.98731	1.2
70.74993	3.4
71.01255	1.8
107.04926	5.0
109.30470	1.2
110.55473	1.1
113.02309	1.1
135.04446	79.9
136.04770	4.4
153.05525	35.9
153.06696	0.7
161.02426	1.3
161.04478	5.3
213.07637	2.0
229.72575	1.4
261.06876	1.4
297.09775	5.9
345.36542	1.2
363.45126	1.4
374.73584	1.2
375.06918	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	373.1876
Annotation	Rosiridoside C
Peak:m/z	Relative Intensity
55.01773	0.5
56.25594	0.2
57.03345	0.5
58.00494	0.3
59.01265	100.0
60.01603	0.9
62.26698	0.2
69.64618	1.6
71.01270	10.7
73.02837	4.1
83.01281	1.5
85.02848	4.4
87.00791	0.5
89.02336	3.9
95.01299	0.6
99.00784	1.1
101.02343	9.5
102.02705	0.2
103.79041	0.2
113.02360	4.3
113.03072	0.4
117.26113	0.2
119.03424	1.7
125.02341	0.4
143.03435	0.8
157.17107	0.2
159.03004	0.7
161.04504	7.5
162.04860	0.3
172.75841	0.2
179.05644	0.3
230.10304	0.2
313.16675	0.6
331.17682	19.0
332.17883	1.4
342.49942	0.2
353.75937	0.3
373.18796	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	373.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01768	1.6
57.03337	2.2
58.00463	0.6
59.01266	100.0
60.01603	0.9
61.98719	16.4
71.01270	34.4
71.57492	0.5
72.99219	0.5
73.02839	12.1
75.00761	0.7
76.72153	0.3
83.01273	5.1
83.01724	0.5
84.91116	0.3
85.02846	16.8
87.00789	1.4
89.02345	2.4
95.01272	2.1
95.81786	0.3
97.02853	0.8
99.00780	4.4
101.02346	20.2
101.05994	0.3
102.02736	0.4
113.02357	13.0
119.03375	0.7
125.02380	1.3
125.09628	2.9
129.01917	0.5
135.04463	0.4
143.03442	1.9
149.02434	0.6
150.03186	1.6
153.12808	0.8
159.02943	2.8
161.02376	0.7
161.04501	17.3
162.03172	2.9
162.04695	0.5
165.05530	2.1
169.12267	2.0
177.05539	2.4
195.06612	1.1
203.05577	4.3
205.03525	0.6
211.13417	0.9
223.97617	0.4
228.75023	0.3
243.15990	0.5
265.14221	0.4
283.15662	0.4
313.16647	11.2
314.16922	0.9
331.17700	44.1
332.18011	3.9
354.26752	0.4
373.14029	0.8
373.18793	13.2
373.25806	2.6
374.19171	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1874
Annotation	Rosiridoside C
Peak:m/z	Relative Intensity
55.01766	0.6
57.03341	1.0
58.00483	1.3
59.01265	100.0
60.01598	1.0
61.78004	0.3
61.98719	13.3
70.99406	0.9
71.01270	11.9
71.21682	0.4
72.99203	1.5
73.02838	7.3
81.03353	1.0
81.97765	0.3
83.01289	2.2
83.04927	0.6
85.02843	7.8
85.57255	0.3
87.00791	0.8
89.02336	6.9
99.00804	1.2
99.04432	0.8
99.73496	0.4
101.02347	10.7
101.98247	0.4
103.03905	4.8
109.02859	1.1
109.05572	0.3
109.06507	1.0
113.02346	1.7
119.03403	2.6
127.03967	2.0
127.07589	1.0
145.04987	1.7
161.02425	0.4
161.04482	2.3
163.06131	1.7
185.11795	8.7
186.12212	0.4
206.24147	0.4
265.97363	0.4
284.03488	0.4
313.16641	6.4
314.16968	0.8
331.17688	53.3
332.17999	6.2
373.13422	0.6
373.18701	3.0
373.26019	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	374.1103
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	1.6
61.98719	100.0
62.98438	0.3
67.57884	0.2
67.93280	0.2
69.85201	0.4
69.85619	1.4
72.55373	0.3
98.19781	0.3
101.46407	0.3
120.09786	0.3
130.46767	0.3
139.81036	0.3
149.06010	0.8
161.04494	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76852	0.2
55.01775	1.0
57.03341	0.9
58.00479	1.3
59.01263	55.8
60.01598	0.6
62.76706	0.2
68.99686	0.2
69.03345	0.8
71.01269	19.0
71.37166	0.2
71.37518	0.3
72.01611	0.4
72.99202	1.6
73.02834	36.6
74.03164	0.4
83.01274	3.6
85.02841	5.3
87.00780	3.3
89.02335	10.7
90.02666	0.3
95.01293	0.6
97.02850	0.9
99.00758	1.2
101.02342	22.1
102.02682	0.4
112.13126	0.2
113.02348	2.9
119.03417	9.5
125.02370	0.7
131.03426	0.3
143.03421	1.8
149.04494	0.3
161.04497	41.1
162.04852	1.0
164.49788	0.2
179.05571	1.0
194.26726	0.2
202.04224	0.2
204.95671	0.2
313.16641	0.5
331.17685	100.0
332.18033	9.7
332.22122	0.3
373.18689	2.6
374.19238	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88215	0.2
55.01783	0.9
57.03347	0.6
58.00484	1.3
59.01266	47.2
60.01608	0.6
69.03345	0.5
70.87572	0.4
71.01273	16.5
72.01624	0.3
72.99207	1.5
73.02837	24.3
74.03181	0.4
74.98251	0.2
75.00783	0.2
83.01282	2.7
85.02840	3.5
87.00768	2.7
89.02341	11.3
90.02676	0.3
95.01307	0.4
97.02850	0.8
99.00797	0.6
101.02348	19.7
102.02699	0.4
113.02367	2.5
119.03429	11.4
120.03765	0.4
125.02393	0.6
131.03459	0.8
135.04466	0.3
143.03430	1.2
147.04411	0.3
149.04552	0.4
151.03960	0.2
152.17851	0.2
153.39957	0.2
157.24065	0.2
161.04503	28.0
162.04851	1.2
179.03406	0.3
179.05629	2.0
218.04562	0.2
271.10840	0.4
313.16599	1.0
331.17691	100.0
332.18039	10.9
373.14063	0.4
373.18710	3.9
374.19153	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01775	0.9
57.03351	0.8
58.00479	1.3
59.01265	53.4
69.03333	0.5
69.71819	2.1
71.01270	18.0
72.99200	1.6
73.02835	32.9
74.03169	0.9
78.19551	0.3
79.72353	0.3
83.01274	3.2
85.02850	4.5
87.00761	3.1
89.02336	8.1
91.93098	0.4
94.39188	0.3
95.01300	0.3
97.02872	1.0
98.20621	0.4
99.00788	0.9
101.02347	19.0
113.02372	2.6
119.03423	7.3
123.88678	0.4
125.02333	0.7
130.12868	0.3
143.03442	1.4
152.03386	0.4
161.04503	41.3
162.04858	1.3
179.05540	0.8
313.16656	1.5
331.17694	100.0
332.18018	9.2
373.18915	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	373.1663
Annotation	Antibiotic DT 136A
Peak:m/z	Relative Intensity
50.51163	0.6
51.49264	0.8
54.62551	0.6
57.92874	0.7
59.01266	56.8
65.27850	0.6
67.34647	0.7
69.74504	5.0
70.59720	0.7
78.20470	0.7
81.05309	0.7
94.75637	0.7
97.13284	0.7
113.12959	0.8
117.03375	18.1
119.04944	23.2
120.05209	1.1
121.02865	4.5
123.04409	1.0
133.02885	3.8
134.03616	1.1
135.04407	1.0
145.02885	70.0
146.03209	2.6
154.35268	0.7
161.02380	8.9
162.03136	1.5
163.03954	10.9
201.98999	0.7
227.69809	0.8
229.05608	0.7
229.46109	0.7
244.82532	0.7
313.14520	21.0
314.14798	1.8
331.15674	0.9
369.68280	0.7
373.16629	100.0
374.12659	1.5
374.16913	14.7
388.89304	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1662
Annotation	Antibiotic DT 136A
Peak:m/z	Relative Intensity
52.05712	0.3
59.01266	20.8
70.74705	0.9
71.01262	0.5
75.37659	0.4
79.15699	0.3
99.04475	0.3
117.03377	22.2
118.03697	1.0
119.04939	20.3
120.05257	1.0
121.02881	2.0
123.04401	0.3
145.02887	100.0
146.03244	4.7
155.41814	0.4
158.26225	0.4
158.74841	0.3
162.03217	0.5
163.03960	14.5
164.04321	0.9
231.31248	0.4
313.14072	2.0
331.15649	1.4
332.42245	0.4
373.16632	77.8
374.12338	1.8
374.16864	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	373.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61846	0.2
58.45413	0.2
59.01267	15.3
70.61768	0.9
86.90900	0.2
94.91423	0.2
117.03381	23.6
118.03700	0.9
118.27068	0.2
119.04946	22.8
120.05276	1.0
121.02869	1.5
123.04390	0.5
133.02832	0.3
145.02890	100.0
146.03224	5.1
162.03154	0.8
163.03970	7.6
164.04333	0.5
179.03394	0.2
185.11740	0.6
204.42662	0.3
228.21783	0.2
294.65594	0.3
313.14526	10.3
314.14838	1.1
331.15436	0.6
373.16638	55.6
374.12576	0.7
374.16953	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	373.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72810	0.3
59.01267	14.3
65.15848	0.2
65.99727	0.4
71.29281	0.4
71.29607	0.5
93.03362	0.4
98.78334	0.2
105.84168	0.3
117.03378	23.1
118.03699	0.6
119.04944	80.5
120.05279	3.0
121.02882	1.6
123.04450	0.4
126.01720	0.3
132.05742	0.7
133.02893	0.7
134.03596	0.3
145.02887	100.0
146.03227	4.4
150.01906	0.3
162.03200	0.7
163.03961	17.0
164.04352	0.8
177.01813	0.3
203.10791	1.2
224.02002	0.5
243.27701	0.3
247.09778	3.4
248.10252	0.4
313.14429	2.8
314.14886	0.3
373.16635	80.2
374.12466	3.0
374.17023	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	373.1663
Annotation	CHEBI:68167
Peak:m/z	Relative Intensity
58.23066	0.1
59.01265	14.8
59.95417	0.1
60.01603	0.1
70.46462	0.3
70.46877	0.4
80.86567	0.1
117.03377	22.8
118.03677	0.9
119.04942	13.8
120.05235	0.6
121.02888	1.2
123.04453	0.3
133.02814	0.3
145.02888	100.0
146.03224	4.8
157.55086	0.1
158.41296	0.1
162.03198	0.5
163.03999	1.1
313.14444	2.3
314.14999	0.2
331.15848	0.1
373.16629	44.8
374.12592	0.3
374.16946	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	373.1661
Annotation	Antibiotic DT 136A
Peak:m/z	Relative Intensity
50.44777	0.4
59.01266	41.1
60.26002	0.3
61.98680	0.3
68.00533	0.3
71.01253	0.8
80.86928	0.3
85.02839	0.4
85.06997	0.3
89.02316	0.5
98.18209	0.4
101.02363	0.7
117.03391	2.1
119.04939	1.8
121.02862	1.2
132.02066	0.5
133.02881	12.0
134.03674	3.7
135.04462	3.3
137.02376	4.4
139.03940	1.3
145.02887	8.9
161.02383	36.3
162.02733	1.4
163.03947	0.6
174.61514	0.3
178.02686	1.7
179.03473	3.2
205.05058	0.6
229.21457	0.3
269.15442	0.5
285.11319	1.7
285.14206	0.4
313.14453	6.9
314.14951	0.7
331.15512	4.7
350.52255	0.3
373.16620	100.0
374.12531	0.7
374.16934	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	371.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36902	0.3
59.01265	100.0
60.01600	1.2
64.92622	0.3
71.01266	3.6
71.59110	0.4
73.02843	1.3
85.02852	1.0
89.02355	1.0
95.01311	0.3
99.00790	0.4
101.02348	1.5
107.03685	0.4
113.02380	1.0
119.03387	0.4
121.02875	0.6
122.06043	2.0
130.02902	0.3
135.04593	0.3
143.41618	0.3
152.07118	3.7
159.02951	0.5
161.02402	0.6
161.04515	2.2
162.05563	3.0
189.85056	0.2
191.05481	0.3
206.04645	1.2
218.04594	0.3
223.00940	0.3
299.14227	0.4
311.09732	0.3
311.15176	1.2
327.25632	0.4
343.13211	0.5
345.09842	0.3
371.12506	5.2
371.24515	2.6
372.12967	0.8
372.24826	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1301
Annotation	Shinjulactone C
Peak:m/z	Relative Intensity
55.63673	0.5
57.03308	1.0
59.01265	43.9
59.01541	1.7
60.01559	0.6
65.00176	0.6
70.45055	2.6
71.01261	7.2
73.02837	3.5
83.01239	1.2
83.60841	0.6
84.03809	0.6
85.02826	3.4
87.00767	0.8
89.02299	1.9
91.01760	1.5
93.03349	1.6
96.68143	0.6
99.00726	0.7
101.02370	4.6
108.02035	0.8
109.02877	12.3
113.02318	2.1
117.03336	1.2
119.03395	0.7
119.04882	0.8
121.02110	1.0
121.02873	15.0
122.03570	2.6
123.00768	1.1
123.04388	2.2
124.01517	1.8
125.02355	0.7
133.02831	2.9
134.03650	5.1
135.04480	3.3
136.05246	3.4
137.02383	4.2
137.06001	1.1
143.03479	0.6
145.02838	1.4
146.03677	17.2
147.04456	40.6
148.05263	6.8
149.02328	1.4
149.06090	3.3
150.03169	9.1
151.03970	7.7
158.03630	1.8
159.04449	13.6
160.05246	13.3
161.02412	10.9
161.04469	3.4
161.05966	16.1
162.03151	8.9
162.06573	2.1
163.03955	7.0
163.07495	0.8
164.04762	8.8
165.05437	0.9
168.04201	1.7
171.10100	0.9
173.05992	2.0
175.03912	2.5
175.07587	14.1
176.07863	0.9
177.05547	8.7
178.02646	1.9
178.06290	3.2
179.03497	12.9
179.07097	20.7
180.04243	13.7
181.04588	0.8
193.05000	2.3
193.08688	1.7
194.05807	4.1
195.06569	9.2
197.11197	0.6
203.03389	1.1
253.08804	1.2
259.69586	0.7
268.07452	10.4
269.08176	5.7
282.09055	1.3
283.09805	14.5
284.10568	24.4
285.10867	2.8
297.11331	1.9
299.12930	8.7
300.13196	0.7
313.10941	1.9
313.16507	1.3
314.11929	1.4
329.13998	100.0
330.14380	9.7
331.17636	9.0
332.18085	1.0
334.11960	0.7
338.10101	0.9
343.11838	2.1
344.12189	1.1
352.11707	0.7
355.11975	1.8
357.61536	0.9
358.11536	1.1
360.13177	3.5
373.13000	26.9
373.25952	17.1
374.13074	10.0
374.26447	1.4
386.27991	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1718
Annotation	Aurantiomide A
Peak:m/z	Relative Intensity
53.57801	0.4
55.01780	2.0
57.03338	7.2
58.00482	0.8
59.01266	22.9
65.29794	0.4
69.03340	0.7
71.01270	21.7
72.99193	2.0
73.02840	5.7
83.01255	2.7
85.02844	9.2
87.00780	0.5
89.02334	12.4
99.00798	1.8
101.02341	3.2
107.04928	0.6
109.06493	0.6
113.02366	1.4
119.03408	1.7
123.08083	4.0
125.02386	0.6
125.09669	0.5
131.03418	0.7
135.00790	0.9
135.04443	0.7
149.04535	0.6
149.09688	0.5
151.11206	1.6
161.04486	1.5
166.02660	0.6
167.03378	0.8
168.77841	0.4
177.12816	6.0
195.12051	0.7
195.13873	14.6
196.14125	1.1
197.51706	0.4
199.20844	0.5
211.78528	0.4
221.11815	4.7
221.32228	0.5
229.63783	0.6
239.24316	0.4
269.10376	0.5
291.35126	0.5
315.02905	0.4
315.11115	0.5
329.16171	1.6
371.17181	100.0
372.17529	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	371.1508
Annotation	5-O-Methyl-8-prenylafzelechin-4beta-ol
Peak:m/z	Relative Intensity
58.74926	0.8
59.01266	14.0
62.33321	0.7
64.51096	0.7
70.70720	2.6
71.01277	1.1
73.02858	1.0
81.49469	0.7
93.03373	2.4
93.66212	0.7
95.04912	1.0
101.02341	0.9
117.03378	100.0
118.03654	2.8
118.04305	1.0
119.04942	21.0
120.05312	0.7
121.02872	80.1
122.03203	3.1
123.03680	0.7
123.04440	29.5
133.02878	18.3
134.03683	6.6
145.02888	61.6
145.62653	0.9
146.03242	3.7
147.04480	1.0
149.02362	1.9
161.04550	0.8
162.03168	90.2
163.03958	26.7
164.04295	1.5
269.10535	1.4
327.16135	4.3
371.15045	52.2
372.15436	7.6
374.35056	0.8
390.25360	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1356
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00491	0.7
59.01267	100.0
60.01608	1.0
66.54144	0.8
69.68949	2.0
69.69366	2.4
71.01273	11.3
72.99208	1.1
73.02840	13.6
78.92690	0.8
80.03246	0.8
83.01282	2.0
85.02845	7.2
87.00792	2.1
89.02359	3.3
93.03378	0.9
96.06957	0.7
99.00778	1.0
101.02359	12.7
113.02371	2.3
119.03452	1.4
121.02916	1.6
133.02997	0.8
135.04512	1.2
144.28886	0.8
147.68219	0.8
151.03899	1.2
161.02444	1.0
161.04515	13.4
162.04990	0.8
174.07977	0.7
179.03468	4.8
191.05641	3.7
194.05844	5.2
209.08189	12.3
210.08684	1.3
269.10367	81.0
270.10791	7.0
311.11819	1.7
329.16202	1.0
371.10214	1.4
371.17401	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	371.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	100.0
60.01603	1.3
65.24014	0.4
70.96786	0.7
70.97112	0.6
117.03384	20.4
118.03724	1.2
119.04967	1.4
121.02883	1.1
145.02892	73.0
146.03230	3.9
163.03909	1.1
163.24622	0.5
311.12900	2.0
327.16101	0.8
371.15063	73.7
372.15149	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	371.1355
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	100.0
60.01580	1.4
60.21125	1.2
68.99697	1.2
69.83543	6.1
71.01279	13.0
72.99205	1.9
73.02841	17.1
75.00759	7.2
78.69460	1.2
83.01274	3.4
84.47595	1.2
85.02838	10.7
87.00766	5.2
89.02347	4.2
95.01292	1.8
99.00775	3.9
101.02354	10.2
102.86812	1.2
113.02344	7.9
121.02876	31.6
122.03178	1.4
135.04474	1.2
149.02347	1.5
161.04509	15.5
167.03400	1.3
195.23547	1.2
223.77504	1.1
232.17886	1.2
238.51605	1.1
249.06174	18.9
269.10367	70.6
270.10696	4.9
323.26608	1.1
343.74097	1.0
371.09824	15.3
372.09979	1.9
387.59106	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1355
Annotation	Macrosphelide J
Peak:m/z	Relative Intensity
54.59069	0.7
55.01770	2.3
57.03330	1.5
58.00471	3.8
59.01264	96.4
60.01576	1.1
61.98708	0.9
71.01269	59.1
71.59921	1.1
72.99194	6.7
73.02837	2.2
75.00767	2.6
83.01261	3.9
85.02838	13.8
87.00755	4.0
89.02335	64.8
90.02673	1.1
90.67443	0.8
91.05406	1.7
93.03381	1.2
95.01273	4.0
99.00770	2.0
101.02341	40.3
102.02662	0.8
113.02354	24.1
119.03409	29.1
119.84361	0.7
121.02862	10.1
123.85221	0.8
125.02346	1.1
127.41283	0.8
131.03447	1.8
135.04460	1.1
143.03456	2.3
147.08112	2.8
148.51286	0.7
149.02377	0.9
149.04523	1.1
149.06018	1.3
150.03099	0.8
161.04533	2.6
165.05531	1.2
174.96919	0.8
177.02003	0.8
179.05577	2.3
191.03513	0.8
191.05634	2.4
191.07152	0.9
192.04236	0.7
209.04517	1.2
209.06456	0.9
223.09705	0.9
249.05951	1.3
297.27774	0.7
329.12512	0.9
371.09915	4.6
371.13565	100.0
372.13934	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	371.099
Annotation	Cycloshermilamine D
Peak:m/z	Relative Intensity
51.95901	0.8
55.01759	1.5
57.03318	2.0
58.00466	1.0
59.01265	26.5
68.87209	0.7
68.99688	1.9
69.03319	1.8
70.43815	3.2
71.01270	21.6
72.99199	7.8
73.02829	3.4
75.00763	22.0
81.03349	1.4
83.01279	2.0
85.02846	20.1
87.00780	6.0
89.02331	6.3
93.03339	1.4
95.01284	5.9
95.40958	0.8
97.02834	1.0
97.98936	0.7
99.00786	9.8
101.02356	2.5
103.00274	2.4
104.69215	0.9
113.02356	24.9
115.00274	2.4
117.01849	2.4
121.02873	100.0
122.03220	4.2
123.35193	0.9
129.01866	2.1
145.02888	2.0
149.05960	1.1
161.04507	0.8
162.69620	1.0
175.02431	3.5
231.04996	5.7
249.06210	60.8
250.06528	3.4
269.10446	1.0
339.20468	0.9
371.09875	56.6
372.10239	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	371.1202
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04561	0.2
57.03326	0.3
59.01257	1.7
60.99187	0.3
67.01757	0.4
71.01263	1.2
72.99183	0.3
73.02840	0.8
75.00770	0.5
81.03362	0.6
81.64899	0.3
81.69405	0.2
83.04918	0.5
85.02844	11.3
87.00771	6.4
93.03363	4.2
97.02854	0.3
98.19746	0.5
99.00783	0.3
99.04371	0.3
109.02849	0.6
111.04423	1.1
113.02314	0.4
127.03928	2.2
132.67099	0.3
135.04472	0.6
136.01573	0.5
137.38519	0.2
146.03702	0.5
148.05269	0.3
149.06026	0.7
151.03932	1.0
164.04736	0.4
171.02885	0.5
173.04500	1.6
175.03844	0.4
176.04707	0.3
179.05577	1.0
179.07028	0.4
191.05583	100.0
192.05923	4.6
209.03040	0.9
235.06212	1.7
247.06329	0.5
265.07330	0.8
274.31976	0.4
371.09830	6.5
372.10236	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1564
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	100.0
59.14299	1.1
61.98727	1.4
69.03359	1.7
69.31768	11.7
71.01274	36.5
72.74463	1.2
73.02837	54.9
74.03182	1.5
76.26232	1.4
76.42291	1.2
77.06673	1.3
83.01273	12.7
84.98677	1.3
85.02841	2.9
89.02349	11.3
98.19741	2.9
101.02343	49.8
113.02357	13.3
119.03452	3.8
125.02358	1.6
128.34251	1.5
130.71358	1.3
131.03410	4.8
134.18663	1.4
143.03433	3.7
145.02908	9.1
147.08083	19.7
149.04541	4.0
161.04497	12.9
167.74744	1.3
226.81883	1.4
227.03494	3.8
228.03918	1.5
243.75627	1.4
255.03134	6.5
284.03287	4.9
291.08823	3.9
304.73642	1.6
307.68042	1.6
369.09152	4.9
369.59125	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1198
Annotation	Unknow
Peak:m/z	Relative Intensity
56.91035	0.1
59.01263	1.0
62.59879	0.1
71.01270	0.5
71.57796	0.1
73.02832	0.6
80.02584	0.4
83.01278	0.3
91.05431	0.3
93.03352	0.3
95.01299	0.2
95.04925	0.3
101.02367	0.5
105.03346	0.1
106.04163	0.1
108.02064	0.2
109.02866	1.8
111.00755	0.2
113.02332	0.1
119.04941	1.5
121.02877	4.2
121.06490	0.4
123.00757	0.1
123.04472	0.8
124.01578	3.6
129.03400	0.8
135.04442	0.4
137.02414	0.8
137.06029	1.2
138.20653	0.1
146.03665	0.2
147.04459	6.1
148.04839	0.4
149.06033	0.5
150.01984	0.2
150.03152	1.6
151.03918	0.2
161.04391	0.2
163.03990	1.0
164.03447	0.2
164.04688	0.9
165.05524	100.0
166.05865	5.0
207.06686	0.1
212.15337	0.1
218.13222	0.1
223.17386	0.1
224.20338	0.1
271.23859	0.1
327.10928	0.3
369.11972	6.4
369.35370	0.1
370.12378	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.0834
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33303	0.5
55.01760	0.6
56.52364	0.5
58.00478	1.8
59.01259	7.0
67.01767	1.0
70.62405	2.1
71.00893	1.2
71.01266	14.1
72.99197	16.5
73.02838	3.5
75.00764	11.3
77.96902	0.5
83.01279	1.2
84.02061	73.1
85.02397	1.5
85.02844	4.9
87.00769	10.2
88.01543	1.6
89.02340	5.9
93.03345	1.4
99.00828	0.6
99.04417	42.1
100.04725	0.9
101.02331	1.5
103.03873	3.1
109.02872	0.8
111.00774	1.9
115.00296	5.5
119.04940	8.5
121.02911	1.1
123.04429	1.8
125.02387	1.0
127.79533	0.6
128.01091	5.4
133.01358	3.2
133.02864	1.7
135.04454	3.2
137.02354	1.0
143.03430	8.2
147.02930	1.6
147.04428	5.0
151.03929	2.4
153.03496	0.6
161.02347	2.0
161.04497	45.1
162.04871	2.1
163.03963	3.5
165.05524	11.0
173.00784	1.4
177.01891	1.2
179.03452	2.1
183.32332	0.5
187.02499	0.7
191.05630	0.7
193.01277	0.6
205.03516	22.9
206.03816	1.1
207.05141	4.2
223.04593	100.0
224.04915	4.0
272.98727	0.6
327.14603	1.7
335.63806	0.7
347.59888	0.7
369.08444	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	369.1197
Annotation	Unknow
Peak:m/z	Relative Intensity
58.74118	0.1
59.01272	0.9
59.05544	0.1
70.49502	0.4
71.01283	0.4
73.02833	0.5
80.02565	0.4
83.01276	0.2
85.98880	0.2
91.05421	0.3
93.03342	0.2
95.04928	0.3
96.46113	0.1
99.69190	0.1
101.02374	0.4
105.03360	0.2
107.73540	0.2
109.02863	2.1
118.74395	0.1
119.04946	2.0
121.02874	3.6
121.06513	0.6
122.03661	0.2
123.00829	0.3
123.04450	1.0
124.01592	4.0
129.03377	0.8
135.04457	0.4
137.02385	0.9
137.06009	1.1
147.04457	6.4
148.04831	0.3
149.02402	0.2
149.06029	0.5
150.01987	0.3
150.03168	2.4
151.03893	0.3
157.25111	0.1
163.03955	0.8
164.03410	0.3
164.04659	0.9
165.05525	100.0
166.05867	4.6
195.04919	0.2
198.12938	0.2
356.88217	0.1
369.12006	6.5
370.12378	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.0836
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01260	6.3
61.46099	1.1
67.01811	1.2
69.47327	7.2
70.20452	1.4
71.01274	7.4
72.99200	24.3
73.02830	2.0
73.39420	1.1
75.00764	12.1
83.01266	1.4
84.02061	100.0
85.02427	1.1
85.02839	7.2
87.00768	12.9
88.01557	1.3
89.02319	2.1
93.03372	1.7
99.04420	50.6
101.02364	1.7
111.00816	2.6
115.00292	2.4
119.04951	17.3
120.05258	1.4
123.04453	1.7
128.01071	3.6
132.25026	1.2
133.01390	1.5
143.03433	14.8
147.04454	4.7
159.03004	1.3
161.04503	83.8
162.04807	2.6
163.00249	1.1
163.03952	12.3
163.05228	1.6
164.52960	1.1
165.05507	5.0
173.00832	2.4
173.04480	1.5
187.02492	1.3
191.05609	4.6
205.03520	23.7
207.03079	1.8
223.04596	44.3
224.04922	2.3
235.11824	1.5
237.12335	1.6
299.07404	1.0
369.08258	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.265
Annotation	Chemanox 22
Peak:m/z	Relative Intensity
59.01263	1.7
69.29729	0.5
70.74287	1.9
73.02834	0.6
112.30954	0.5
117.03357	1.4
133.06529	9.6
145.02901	4.1
149.09663	82.5
150.10004	3.5
150.86461	0.5
194.09467	1.0
205.15967	51.8
206.16258	3.7
295.17050	4.0
296.17313	0.6
300.20139	0.6
307.10324	1.0
328.16797	2.8
337.56195	0.7
367.23044	6.4
367.26544	100.0
368.23428	0.9
368.26895	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	369.0836
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03364	0.6
59.01266	2.0
60.99199	1.2
61.16273	0.5
67.01785	3.5
69.03352	0.9
70.71414	0.4
70.71780	1.8
71.01256	2.6
72.99203	0.6
81.03378	1.0
83.04937	0.6
84.91941	0.5
85.02837	8.9
87.00776	8.4
88.43978	0.5
93.03358	27.2
94.03733	1.0
99.00762	1.0
99.04415	0.7
101.02345	0.5
105.03387	1.0
107.04959	1.0
109.02866	1.9
111.04436	4.7
115.03909	0.6
121.02872	0.8
122.03651	1.5
123.04443	31.5
124.04778	2.0
127.03929	2.3
129.01889	1.0
133.02869	10.6
134.08205	0.4
135.04422	1.0
137.02400	1.2
137.80833	0.5
147.04463	0.5
149.02386	1.0
150.02943	0.4
150.75705	0.4
151.03923	1.7
152.04477	0.4
155.03436	1.2
171.02913	0.7
173.04512	19.6
174.04874	1.0
177.01912	9.8
179.03308	0.7
191.05580	100.0
192.05934	4.8
195.02983	10.0
196.03377	0.8
215.05611	1.4
285.44440	0.5
318.91766	0.5
351.07275	2.0
369.08298	19.4
370.08658	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	367.1536
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14278	2.2
59.01267	26.7
64.81931	1.6
71.01261	4.8
71.58891	2.0
71.59306	2.2
73.02827	2.5
85.02821	2.8
89.02329	2.8
96.55590	2.0
101.02324	3.2
101.03868	4.7
113.02359	3.5
119.04942	100.0
120.05267	6.1
126.39775	1.9
133.02831	1.8
161.02391	3.2
161.04518	6.1
161.05959	2.3
162.06755	3.3
163.03938	9.0
163.07565	3.0
166.11238	2.2
184.16867	1.8
205.05002	3.1
205.12260	2.9
307.10349	4.9
366.62805	3.5
367.10638	3.7
367.15286	14.7
379.63773	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	367.2287
Annotation	Neurymenolide A
Peak:m/z	Relative Intensity
59.01251	2.2
62.64995	0.7
70.15690	1.5
70.16087	2.1
71.01264	1.0
76.92526	0.7
84.14909	0.9
93.03336	1.2
98.19994	0.9
105.13035	0.8
117.03375	52.2
119.04954	11.9
121.02872	44.2
122.03217	1.7
123.04440	14.8
133.02878	10.9
134.03688	4.4
145.01826	1.4
145.02896	19.8
149.02364	1.1
162.03166	18.6
163.03955	6.9
165.56497	0.7
183.01025	1.0
232.00891	1.0
307.10364	1.9
367.22861	100.0
368.23175	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	367.1536
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71363	1.8
55.63571	1.8
59.00815	2.0
59.01263	33.1
63.86609	2.0
70.45012	6.8
71.01260	4.5
80.28667	2.0
80.96381	2.3
85.02873	2.3
93.03362	6.6
93.03978	1.9
113.02420	2.4
119.04941	100.0
120.05273	4.3
135.04454	2.1
157.79958	2.3
161.02443	2.4
161.04494	2.7
163.03958	74.0
164.04314	3.7
172.39757	2.0
173.04472	4.2
191.05637	3.3
206.30016	2.4
248.76552	2.1
307.10507	2.2
307.17682	2.3
344.03946	2.1
363.71039	2.2
367.15295	2.3
385.03732	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	367.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
57.51090	0.3
59.01264	4.2
63.39949	0.3
71.01272	2.8
71.31281	0.6
71.31630	0.4
73.02834	5.1
85.02863	1.2
87.00744	0.6
91.05788	0.3
99.00790	0.4
101.02352	1.6
113.02377	0.7
119.04958	0.4
121.02874	1.3
122.03709	0.4
133.02850	1.2
134.03653	0.4
135.04428	1.2
143.03455	0.3
145.02968	0.5
147.04471	1.8
148.05235	100.0
149.02345	0.9
149.05562	5.0
161.02509	2.2
161.04497	14.0
162.04872	0.5
163.07593	73.0
164.07941	3.5
177.01895	2.0
177.05539	0.4
179.03447	1.1
203.03445	0.5
203.05360	0.3
240.85680	0.4
247.09814	0.6
307.10345	0.8
359.12378	1.3
366.61810	0.6
367.12228	2.4
367.62265	1.3
379.74567	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	367.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85760	0.1
59.01266	1.6
68.90186	0.1
69.71015	0.1
69.92818	0.1
71.01269	1.3
71.46983	0.3
73.02837	3.1
73.65959	0.1
75.24736	0.1
83.01274	0.3
85.02850	0.6
95.55560	0.2
99.00771	0.6
100.24158	0.1
101.02341	0.9
108.37863	0.1
113.02370	0.3
121.02873	0.7
122.03664	0.3
127.31203	0.1
131.42503	0.1
147.04460	1.4
148.05237	100.0
149.04361	0.2
149.05571	4.9
161.04472	1.4
163.07593	89.8
164.07927	5.5
203.05579	0.2
281.04456	0.2
288.81870	0.2
302.64178	0.1
393.05823	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1534
Annotation	Louisfieserone A
Peak:m/z	Relative Intensity
59.01271	100.0
61.98715	14.5
71.01270	58.4
71.58817	18.7
71.59210	20.9
72.15859	12.3
73.02827	22.0
85.02840	23.3
87.00772	15.7
89.02332	26.1
93.03369	44.0
98.02328	14.3
101.02332	34.3
109.60754	11.7
111.04408	14.9
113.02328	21.1
119.03370	14.8
119.04925	37.9
121.02883	23.8
122.38925	11.1
137.02341	21.5
139.03935	14.8
149.02322	42.5
161.04491	19.0
163.03941	31.7
165.01807	15.9
167.03444	19.7
191.05598	84.6
193.01425	37.1
235.11880	36.2
293.47504	12.8
307.10355	18.2
348.24316	13.4
367.15549	89.4
367.19641	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	367.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	1.4
60.72419	0.4
60.89943	0.3
61.74330	0.4
70.87730	0.9
70.88069	0.5
77.33169	0.4
93.03384	0.8
119.04942	57.3
120.05267	2.5
121.02847	0.6
133.02859	0.9
135.04442	1.2
145.02895	1.1
150.89615	0.3
161.02394	7.1
161.04442	0.6
163.03955	100.0
164.04286	4.8
166.41788	0.4
179.03476	0.7
203.07108	0.6
210.10246	0.4
211.81598	0.5
277.44193	0.4
286.89243	0.4
307.10400	0.5
329.13962	1.4
331.15582	17.8
331.19614	0.9
332.15897	1.9
367.11899	7.2
368.12332	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.0441
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	3.7
63.02296	0.4
71.01276	0.8
74.63712	0.3
83.01283	1.0
89.02365	0.5
92.00699	0.5
93.03358	1.4
95.01260	0.5
101.02349	0.5
107.01312	1.1
107.82092	0.3
109.02853	0.5
112.13869	0.4
117.03407	0.5
131.05025	0.3
131.37952	0.3
133.02959	0.4
145.02850	1.7
148.05226	0.7
151.00304	1.9
154.04172	0.4
155.04959	0.4
157.06508	0.8
159.04437	1.2
161.02365	0.8
161.04478	1.0
163.00267	0.8
163.03893	0.4
163.07584	2.2
169.01419	0.4
169.06534	0.9
171.04474	0.8
185.06108	1.8
187.03983	1.1
199.03900	0.6
211.04004	0.7
213.05574	0.5
214.02710	0.5
227.03403	0.6
229.05084	1.9
229.94688	0.4
239.03511	1.1
247.30975	0.4
255.02977	0.5
256.03894	0.4
257.04636	1.1
281.33557	0.4
285.04111	100.0
286.04462	9.3
307.10370	1.5
325.02045	1.6
331.15369	1.9
335.17035	0.4
340.00671	0.7
366.63406	1.0
367.02994	1.4
368.03369	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.068
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	8.6
61.98706	1.2
65.03846	3.0
67.01785	1.7
69.03353	3.1
69.54187	1.0
71.01273	4.2
71.58211	1.1
72.99219	3.0
73.02851	4.5
75.00768	1.3
80.96429	1.7
81.03352	5.0
83.01264	2.3
83.04923	4.1
84.02069	1.2
85.02841	3.6
87.00790	5.7
93.02772	2.1
93.03360	38.9
94.03708	1.9
95.01273	3.3
95.04926	9.7
97.02828	2.1
99.00784	2.9
99.04386	2.1
101.02362	1.8
105.03384	2.1
108.02054	2.4
109.02866	16.1
111.00804	2.2
111.04447	9.3
113.02350	1.5
117.54015	1.2
119.04934	3.0
121.02872	21.7
123.00813	14.1
123.04432	10.7
124.01608	6.9
125.02371	4.5
127.03947	1.3
133.02873	3.9
134.03668	3.3
135.04468	5.5
137.02382	42.9
138.02788	1.6
139.03949	38.0
147.00807	3.7
148.01625	3.4
148.30066	1.0
149.02380	40.0
149.06033	1.2
150.02818	1.3
151.03989	6.6
153.01894	3.4
155.03438	4.9
160.52521	1.2
161.02408	2.7
161.04578	1.8
163.03934	1.9
164.01091	2.9
165.01888	30.7
166.02293	2.1
167.03458	37.3
168.03757	2.8
173.04514	13.1
175.00317	3.4
177.01880	3.9
178.02521	1.4
179.03461	5.2
183.02989	2.0
191.05597	23.2
192.00621	1.8
193.01402	100.0
194.01732	5.2
195.02988	1.3
197.06004	1.4
205.03577	1.2
211.02483	18.4
212.02809	1.5
295.08359	2.7
303.64520	1.3
307.10388	1.9
349.05753	8.0
363.76398	1.4
367.06705	15.9
367.10742	2.5
367.15027	1.5
368.06870	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	365.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30077	0.5
59.01267	3.4
74.51276	0.6
74.91135	0.5
92.99973	0.5
93.03378	0.8
96.80586	0.6
107.77535	0.5
117.03382	40.7
118.03583	0.9
118.04295	0.7
119.04967	3.6
121.02878	38.0
122.03236	0.8
123.04448	12.2
127.42242	0.5
133.02882	9.2
134.03647	3.1
145.02893	28.2
146.03264	1.6
149.02400	0.6
158.07314	0.8
162.03181	19.1
163.03856	3.1
321.22369	1.8
365.21292	100.0
366.21661	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	365.2471
Annotation	Unknow
Peak:m/z	Relative Intensity
57.83929	28.4
59.01266	100.0
64.09661	33.7
71.30299	69.0
74.45360	29.9
75.66999	29.1
80.78328	28.6
83.18440	30.8
87.41917	31.3
121.02894	41.2
173.96664	27.0
222.36273	26.5
285.98810	28.1
365.21072	49.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2705
Annotation	Officinoic acid B
Peak:m/z	Relative Intensity
50.28289	0.3
51.82737	0.3
57.22554	0.3
59.01267	1.8
68.61089	0.3
69.25504	0.8
69.25915	2.8
71.04903	0.9
73.02851	0.3
79.72178	0.3
81.74863	0.3
84.95701	0.3
98.19761	0.5
99.04388	0.3
137.06047	0.5
153.12817	0.4
155.14374	0.8
163.11237	0.7
165.12816	2.3
173.62988	0.3
181.12273	1.4
193.35899	0.3
199.13382	31.8
200.13725	2.1
201.02588	0.3
209.11905	0.4
210.72209	0.3
212.59619	0.3
223.83182	0.3
319.53302	0.3
329.24887	0.4
347.25980	6.0
348.26373	0.9
351.68341	0.3
363.25986	0.4
365.27032	100.0
366.27390	14.4
380.98453	0.3
388.32321	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2703
Annotation	(+)-Plumosol
Peak:m/z	Relative Intensity
50.26330	0.3
50.69757	0.4
59.01256	1.5
70.32664	0.5
70.33016	1.8
85.06479	2.8
88.89266	0.4
95.18740	0.4
96.30431	0.5
159.15533	0.4
166.68916	0.4
199.13333	1.7
205.68234	0.5
206.10083	0.4
261.18579	1.2
261.21237	0.5
279.19699	21.3
280.20047	2.3
347.25970	7.8
348.26245	0.8
363.25473	1.0
365.27026	100.0
366.27335	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	365.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	1.5
57.03328	2.0
58.00487	3.7
59.01266	79.3
60.01604	1.3
69.03341	0.9
69.47622	2.5
69.48046	3.6
71.01270	46.0
72.99185	3.6
73.02832	2.4
75.00777	0.7
80.56194	0.6
83.01287	3.0
85.02841	11.6
87.00774	2.3
87.04451	0.8
89.02339	46.5
90.02689	0.7
92.71002	0.6
95.01285	3.8
99.00790	1.4
101.02351	31.1
113.02357	16.6
119.03419	21.8
131.03404	1.8
135.04402	0.8
143.03433	2.1
145.15395	0.6
149.04503	1.3
161.02391	0.8
161.04521	2.3
179.05594	3.0
185.11841	4.1
203.12814	3.7
305.16153	1.1
347.17200	1.9
365.18243	100.0
366.14905	2.0
366.19116	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	365.2129
Annotation	4-Geranyl-3,5,4'-trihydroxybibenzyl
Peak:m/z	Relative Intensity
57.27585	0.2
59.01262	0.8
70.69628	0.6
93.03368	0.8
95.01324	0.2
95.04923	0.4
97.06485	0.4
102.33493	0.2
102.52494	0.2
105.03386	0.2
108.02077	0.3
117.03378	40.1
118.03644	0.9
118.04211	1.1
118.68501	0.2
119.04953	4.8
121.02874	31.9
122.03196	1.1
123.04441	10.2
124.04817	0.5
130.35690	0.2
132.02077	0.3
132.05789	0.4
133.02887	6.8
134.03685	3.2
145.02888	46.9
146.03217	2.3
149.02370	0.6
162.03178	14.4
163.03923	2.7
168.53151	0.2
185.09592	0.5
215.59470	0.2
221.98880	0.2
224.85098	0.2
232.07269	0.2
314.34537	0.2
321.22284	2.2
322.22574	0.4
337.92920	0.2
365.21283	100.0
366.21637	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	365.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61070	0.3
55.01761	0.8
57.03344	0.7
58.00464	0.6
58.77628	0.3
59.01267	9.0
69.03327	0.3
71.01269	6.4
71.58005	0.6
72.99176	0.8
73.02837	4.2
75.00751	0.4
81.35941	0.4
83.01265	1.8
85.02847	4.3
85.99992	0.3
87.00773	0.7
89.02332	1.0
92.46269	0.3
95.01286	0.6
96.82411	0.3
99.00794	0.9
101.02352	8.4
111.00825	0.3
112.12041	0.3
113.02367	2.3
116.27405	0.3
127.11138	0.5
157.12302	2.8
159.02988	0.4
161.04488	1.3
165.05528	0.4
177.05492	0.5
178.22141	0.3
199.13371	0.4
203.12878	8.0
204.06659	0.8
208.19724	0.3
319.17828	0.4
347.17111	1.0
365.18240	100.0
366.18570	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	365.1169
Annotation	Unknow
Peak:m/z	Relative Intensity
55.02286	0.8
59.01260	3.9
67.93373	0.8
70.60499	1.8
71.38133	0.8
101.80101	0.8
110.93080	0.7
117.03397	1.2
119.04942	2.1
133.02866	7.6
134.03677	1.6
135.04463	1.6
137.02403	2.0
140.35922	0.8
145.02888	9.4
149.40891	0.8
153.72160	0.8
161.02390	46.4
162.02713	2.7
163.03937	1.2
167.10725	1.6
179.03502	1.2
238.07480	1.0
245.64728	1.0
285.15213	1.2
329.14011	100.0
330.14365	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	365.117
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	10.0
61.78378	0.7
71.54871	0.7
71.57309	1.3
77.01295	0.9
79.27048	0.7
81.92143	0.7
94.79919	0.7
117.03392	1.2
119.04959	1.3
133.02879	6.3
134.03711	2.5
135.04460	13.4
137.02385	2.7
139.03928	0.8
145.02855	2.7
161.02388	28.4
162.02802	1.4
179.03458	12.7
188.85069	0.9
201.02570	2.3
329.14026	100.0
330.14319	12.3
336.87466	0.9
372.21893	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1169
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39161	0.5
57.03342	3.9
59.01265	6.5
61.98720	0.7
70.16536	1.1
70.16944	1.6
71.01249	0.8
83.04923	2.0
86.32130	0.6
102.67558	0.5
105.94576	0.6
114.29723	0.5
117.03379	11.4
119.04948	16.4
120.05264	0.7
145.02887	86.6
146.03224	4.7
153.09154	2.3
161.02417	0.6
162.03185	0.8
163.03958	22.9
164.04289	1.4
165.13167	0.5
201.02547	0.8
216.61275	0.6
274.51367	0.6
322.85461	0.5
329.14017	100.0
330.14325	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	364.032
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49039	0.8
51.98874	0.7
53.83705	0.7
59.01256	1.6
61.98719	100.0
63.02283	2.9
65.00211	6.5
69.97829	4.5
78.95818	1.2
80.40757	0.9
83.01265	4.0
88.28386	0.8
88.54282	0.9
93.03373	2.1
106.85639	1.0
107.01296	11.2
109.02846	1.0
121.02866	10.0
139.03947	1.2
149.02412	1.9
151.00317	41.0
152.00629	1.7
152.69812	0.7
152.99521	2.1
161.02341	1.9
161.56932	0.8
163.00349	1.0
163.03978	1.0
164.01013	0.8
169.01399	2.8
175.04063	0.9
178.99838	16.6
203.51294	0.8
229.05032	1.1
245.04601	0.9
273.04047	1.5
289.21606	0.8
301.03604	97.3
302.03915	9.1
364.14557	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.0731
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	0.8
59.01269	4.8
65.29268	0.7
69.74665	4.1
71.01270	3.6
73.02838	0.7
83.01279	1.1
85.02844	6.5
87.00744	1.6
93.03352	3.6
96.96864	1.1
98.19796	1.4
99.00796	1.6
109.02837	0.8
109.54668	0.7
111.00776	2.6
111.62882	0.7
112.98717	9.2
127.03957	2.2
129.01883	1.9
142.99736	4.1
154.78769	0.7
173.00870	6.6
173.04474	3.5
191.05586	100.0
192.05997	4.6
251.08435	0.7
365.08896	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	363.1668
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	2.3
58.00475	3.8
59.01262	85.1
60.01587	1.2
70.47081	2.0
71.01266	65.7
72.01591	1.4
72.99190	6.2
73.02825	6.3
76.87213	0.7
83.01276	3.4
85.02840	13.9
87.00778	4.3
89.02334	76.4
90.02689	1.8
95.01318	3.3
99.00778	1.6
101.02341	37.7
104.87208	0.6
107.04961	1.0
113.02355	26.2
114.02673	0.7
119.03410	35.4
120.28378	0.7
125.02371	1.1
125.05996	1.1
127.07568	1.8
131.03413	4.1
143.03429	7.7
149.04494	2.2
150.85158	0.6
161.04492	9.6
165.09125	0.7
179.05563	30.6
180.05945	1.2
183.10161	1.8
201.11298	29.1
202.11671	1.4
363.16678	100.0
364.16980	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	363.167
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03330	2.1
58.00463	1.7
59.01264	37.1
61.98711	1.4
63.30815	0.7
69.03351	0.9
71.01271	34.5
71.57924	1.4
72.99199	6.8
73.02836	6.4
75.00768	5.7
77.80437	1.1
80.42035	0.8
83.01281	2.0
83.04915	1.5
85.02846	11.3
87.00767	5.2
89.01822	1.7
89.02339	23.5
95.01279	2.1
97.06481	2.0
99.00773	2.4
99.04445	2.3
101.02350	21.8
101.05992	4.6
102.02649	1.3
104.71198	0.9
105.01842	10.8
107.04931	2.2
109.06528	1.1
111.00787	0.9
113.01625	1.2
113.02362	14.8
113.05987	2.3
119.03416	11.4
123.04430	1.5
125.06003	2.0
127.00319	0.9
129.01833	1.9
131.03468	1.0
135.02911	1.7
137.09692	0.9
140.29613	0.8
141.05528	3.0
143.03412	1.9
143.07072	8.0
148.22844	0.8
149.04523	0.9
149.06027	1.8
153.09135	1.3
157.01346	0.8
159.02841	1.4
161.04553	8.1
165.00601	1.0
165.05513	0.8
165.09210	0.9
167.06998	0.9
179.05583	6.0
183.10228	3.0
187.13327	2.3
199.09746	3.5
201.11299	75.4
202.11670	4.6
210.99971	1.3
229.14429	4.0
261.13483	1.2
269.66458	0.9
287.11469	1.2
363.16672	100.0
364.17062	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	363.1671
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01763	1.2
57.03335	1.1
58.00469	1.1
59.01266	17.0
69.09734	0.4
69.40070	0.7
69.40472	3.7
69.93456	0.4
71.01269	12.8
72.99198	14.9
73.02840	4.9
75.00742	0.5
83.01276	3.8
85.02844	7.0
85.99999	1.1
87.00762	1.2
89.02345	3.9
95.01249	0.7
99.00806	2.0
101.02351	12.3
102.02667	0.4
107.55070	0.4
111.00780	0.7
113.02359	4.5
119.03407	1.7
125.02402	0.6
150.05603	0.6
155.10670	0.7
161.04527	1.5
162.37929	0.4
183.10300	2.7
201.11314	4.0
202.11668	0.5
251.35725	0.4
278.59744	0.5
317.16098	0.6
345.15656	1.9
363.16684	100.0
364.16986	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	363.1458
Annotation	[3S-(3R*,8R*,9R*,11E)]-3,4,5,6,9,10-Hexahydro-8,9,16-trihydroxy-14-methoxy-3-methyl-1H-2-benzoxacyclotetradecin-1,7(8H)-dione
Peak:m/z	Relative Intensity
59.01252	2.6
69.57925	6.5
78.95780	4.9
81.03345	1.4
85.02848	1.1
87.04435	1.7
89.03880	1.9
90.45205	0.8
93.03357	2.6
95.04919	1.8
97.06503	1.9
105.03363	5.0
107.04935	13.9
109.02861	1.5
116.88007	0.8
121.02873	3.9
122.03703	0.8
123.03551	1.0
123.04443	20.1
125.02348	0.9
127.15811	0.8
133.02885	14.1
134.03224	1.0
135.04472	1.9
137.02371	1.9
137.89293	0.8
139.03905	4.6
149.02383	17.6
150.03146	4.0
151.03949	18.7
152.99525	10.9
153.01942	0.8
161.02437	2.3
177.01888	77.9
178.02258	4.8
179.03419	0.9
194.02197	1.3
195.02928	8.7
249.18262	0.7
266.25116	0.9
319.15491	1.0
345.13196	1.2
363.14539	100.0
364.14865	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	361.2603
Annotation	Unknow
Peak:m/z	Relative Intensity
58.36075	1.5
59.01265	100.0
71.30750	2.6
81.24839	1.3
89.91366	1.3
92.73824	1.4
123.00794	1.9
129.38463	1.3
130.74467	1.3
138.03189	1.7
198.16652	1.3
281.44315	1.3
301.16733	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	363.073
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09484	0.9
59.01245	1.0
63.02287	6.5
65.00212	11.3
70.92985	2.1
72.76463	0.7
80.84099	0.8
83.01276	8.2
91.01808	0.9
95.01290	1.3
101.02328	0.8
107.01295	23.4
109.02876	5.1
111.00784	1.4
119.01289	2.7
121.02850	2.8
123.00815	1.3
123.04430	1.7
124.01575	2.1
125.02316	2.1
133.02869	3.3
135.00806	1.3
136.01599	12.1
143.04951	1.2
147.00818	8.5
148.01604	4.5
149.02412	1.0
151.00308	82.0
152.01082	7.6
158.96721	0.9
159.04485	1.1
161.02339	2.0
163.00325	2.8
164.01102	1.0
167.03465	4.6
167.04716	1.1
169.01382	4.4
171.04453	3.2
171.46788	0.7
175.03934	2.2
178.99828	45.3
179.03333	5.6
179.04912	1.0
180.00092	2.0
182.03697	1.6
183.02924	1.0
183.04460	2.8
185.02423	1.3
187.00345	0.9
187.03966	1.7
188.01126	0.8
189.01932	1.1
191.03445	0.8
193.01395	1.0
193.03038	0.8
195.02933	2.2
198.03116	1.3
199.03998	11.8
200.04378	0.8
201.01897	4.5
201.05363	0.8
203.03398	2.9
207.02997	0.9
211.03986	2.5
212.04784	1.1
213.01851	1.2
214.02643	0.8
215.03481	3.0
219.02975	0.8
221.01051	0.9
226.02740	2.2
227.03490	10.5
228.04050	1.7
230.02414	0.8
231.02991	3.0
243.03006	16.7
244.03218	1.2
245.04494	1.4
255.03032	8.5
255.61298	0.7
256.03833	4.0
271.02536	100.0
272.03146	17.9
273.03769	1.2
283.87173	0.8
287.05701	1.4
299.02026	61.1
300.02780	81.7
301.03494	23.5
302.03790	1.1
331.04669	73.6
332.01556	1.1
332.05048	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	361.1878
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01767	2.3
57.03349	2.0
58.00468	1.2
59.01265	20.9
59.78022	0.7
69.39181	6.3
71.01269	15.9
72.99187	1.7
73.02838	5.7
75.00777	0.7
83.01283	4.2
85.02850	7.9
85.99980	1.2
87.00734	0.8
89.02353	3.9
89.54382	0.7
91.94051	0.7
93.03357	2.9
95.01279	1.6
99.00761	1.6
101.02347	13.4
108.02071	0.7
109.02883	6.7
109.46645	0.8
111.00805	1.0
113.02370	4.4
119.03440	1.7
119.04914	1.3
121.02877	22.2
121.83440	0.7
122.03677	14.1
123.04458	2.1
124.01579	2.7
129.03458	1.2
134.03641	1.4
135.04431	3.2
136.05251	2.3
137.02394	3.4
140.80098	0.6
146.03635	1.0
147.04449	9.8
148.04974	0.8
149.05991	1.7
154.02667	3.2
160.05243	0.9
161.06024	3.0
163.03918	1.3
164.04745	0.8
165.05525	29.9
166.05890	1.2
177.05591	0.8
178.06215	1.1
179.07086	10.5
180.07448	1.1
181.12265	1.5
181.62436	0.7
191.07101	0.9
199.13374	8.9
209.08060	1.8
209.11862	2.6
223.09769	1.4
227.03564	0.9
230.70956	0.8
255.03136	1.3
284.03174	1.0
298.12167	0.8
313.14484	1.6
315.12424	3.0
316.13077	0.9
343.17575	1.0
346.14261	8.8
347.14352	1.3
350.28738	0.8
353.00067	0.7
361.18518	100.0
362.08514	1.0
362.18857	10.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1668
Annotation	Sauriol A
Peak:m/z	Relative Intensity
52.53074	0.4
55.01767	0.9
57.03345	0.7
59.00993	0.8
59.01266	10.7
66.19014	0.4
66.58533	0.4
70.89637	1.2
71.01273	6.5
71.95053	0.5
72.99196	1.0
73.02843	2.5
76.91811	0.4
79.17262	0.5
79.25507	0.4
81.03416	0.4
82.54609	0.4
83.01285	1.5
83.04935	0.5
85.02840	3.7
87.00793	0.8
89.02345	1.7
93.03365	2.9
95.01293	1.0
99.00768	0.7
101.02356	4.5
106.32413	0.4
108.02087	1.3
109.02859	8.4
111.00791	0.5
113.02374	1.8
119.04947	1.1
121.02870	34.5
122.03669	21.2
122.04565	0.9
123.04494	3.8
124.01575	1.9
125.02336	0.5
129.03395	1.4
134.03694	1.5
135.04460	3.8
136.05257	2.1
137.02385	3.8
145.02867	0.7
146.03679	1.6
147.04453	13.3
148.05177	1.7
149.06017	1.8
150.03220	1.0
154.02664	2.7
155.10822	0.5
159.04428	0.6
160.05255	1.0
161.06018	5.2
162.06796	0.7
163.03937	0.9
164.04770	1.1
165.05525	36.5
166.05890	1.5
167.60129	0.5
168.04256	0.4
173.06114	0.9
175.07637	1.1
178.06293	1.4
179.07103	14.3
180.07397	0.6
181.12366	0.9
184.13335	0.4
189.40445	0.4
191.07137	0.8
198.75673	0.4
199.13345	2.7
209.08177	1.0
209.11867	4.0
223.09779	1.5
249.30508	0.5
255.03157	0.5
285.11554	0.5
298.12158	1.3
313.14539	1.4
315.12457	3.9
316.12985	0.8
346.14294	11.1
347.14700	1.4
361.16821	100.0
362.08408	1.2
362.16528	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	361.1512
Annotation	Suspensoside A
Peak:m/z	Relative Intensity
52.67093	0.7
55.01768	1.1
57.03339	1.4
58.00483	1.4
59.01267	25.5
60.01551	0.7
63.93433	0.7
68.29920	0.7
71.00897	1.2
71.01273	20.2
71.56328	0.7
71.56755	1.2
72.99192	2.9
73.02831	4.6
83.01286	3.8
85.02848	8.3
87.00775	1.9
89.02343	9.4
95.01283	1.5
99.00772	1.6
101.01709	1.0
101.02354	14.1
109.06554	0.7
113.02364	5.4
119.03424	3.9
123.04470	1.5
123.08067	3.8
124.01534	0.7
125.05994	0.8
131.54466	0.8
137.09639	2.6
138.06824	3.8
151.03917	1.6
153.09166	11.0
155.10687	1.5
163.04002	0.8
181.08688	8.4
199.09746	31.4
200.10103	1.1
241.10818	1.3
281.07138	0.8
312.92728	0.8
361.15106	100.0
362.15454	10.0
368.17313	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1665
Annotation	3,4,5,3',4',5'-Hexamethoxybibenzyl
Peak:m/z	Relative Intensity
53.96164	0.6
59.01253	2.5
61.42106	0.5
61.98710	0.8
65.00199	1.4
71.58083	0.7
75.02280	6.3
77.03851	1.0
78.95789	0.7
91.01787	7.3
93.03335	2.0
95.04923	1.2
103.01822	1.2
104.02593	0.8
105.03352	2.2
107.04926	0.9
109.02869	2.4
119.01305	9.0
119.04935	0.6
121.02872	7.1
123.00816	0.9
123.04436	2.5
125.02374	7.1
129.14188	0.5
131.01295	8.1
133.02908	2.9
134.03613	0.7
135.04465	0.9
137.02383	9.0
138.02762	0.5
138.52882	0.6
139.03964	1.6
145.03033	0.7
147.00816	66.6
148.01602	89.3
149.02115	4.7
151.00346	0.7
151.11229	2.7
153.12781	4.3
162.01897	1.1
163.00354	1.1
163.03946	4.0
164.03481	1.5
165.01866	4.5
165.03906	1.6
175.00334	30.2
176.00670	1.4
179.03487	1.6
180.04326	0.7
181.04999	0.6
190.01518	1.8
190.99921	1.2
191.01825	1.2
192.00600	1.6
193.01352	1.0
197.11783	1.4
207.02979	56.5
208.03265	2.2
209.02844	0.7
239.13504	0.6
279.16003	5.1
285.15125	4.3
301.14609	1.3
317.17697	2.0
329.14035	32.8
330.14337	4.4
361.16702	100.0
362.17010	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	361.1514
Annotation	Suspensoside A
Peak:m/z	Relative Intensity
57.03333	1.0
59.01267	36.1
61.48048	0.8
71.00896	1.3
71.01270	16.7
71.58704	1.1
71.59112	0.9
72.99189	9.4
73.02846	2.2
75.00773	1.5
83.01262	2.4
85.02852	4.5
87.00775	1.7
89.02345	13.5
99.00780	1.0
101.02355	12.5
101.89774	0.9
113.02332	5.1
119.03453	6.3
119.04950	0.9
119.08565	2.0
123.00737	1.1
123.04415	1.7
133.06500	1.0
137.09624	2.8
138.05527	2.2
139.05844	1.4
145.02887	9.5
150.03186	1.1
153.09123	3.1
161.04494	2.1
163.03922	1.7
163.07555	2.4
163.90460	0.8
181.08667	8.2
187.04204	1.0
199.09761	7.5
301.11337	1.7
322.26669	1.0
325.09369	3.5
329.12531	3.5
361.10294	3.2
361.15103	100.0
362.15466	8.4
370.56918	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1149
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	40.5
69.97812	11.1
71.01265	11.9
73.02841	4.3
85.02833	5.2
89.02365	2.8
95.01271	4.8
99.00779	3.6
101.02344	7.8
113.02356	7.2
116.52135	1.9
121.02847	4.1
123.00805	100.0
124.01649	11.1
137.02354	3.9
138.03162	60.1
139.03937	19.8
151.03917	4.0
161.04515	27.7
166.02702	3.5
181.05034	8.4
219.56284	1.9
301.09354	47.8
301.12827	2.3
302.09631	3.0
304.64374	1.8
361.15332	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	361.1514
Annotation	5-Deoxylamiol
Peak:m/z	Relative Intensity
51.80726	0.3
55.01760	0.5
57.03328	0.9
58.00460	0.7
59.01265	18.2
60.01593	0.4
61.12406	0.3
69.58678	2.1
71.01273	12.5
72.01603	0.4
72.97420	1.0
72.99199	1.5
73.02836	2.2
75.00758	1.0
83.01276	1.2
85.02840	4.1
87.00780	1.6
89.02337	8.8
90.02673	0.3
91.46494	0.3
95.01287	1.1
97.06478	0.4
97.64898	0.3
99.00776	0.9
101.01697	0.6
101.02345	9.3
102.02731	0.4
109.02866	0.3
113.02368	4.7
118.97244	0.3
119.03436	3.8
121.06514	0.3
123.04401	0.6
123.08088	0.5
125.02363	0.3
133.08229	0.3
135.08066	0.5
137.09657	7.4
138.10033	0.4
143.03455	0.4
143.37538	0.4
145.02861	0.4
149.04446	0.3
150.03165	0.4
151.03423	0.4
153.09152	4.4
155.10814	0.4
161.04480	1.0
179.16983	0.3
181.03284	0.3
181.08659	4.9
183.10226	0.7
188.21666	0.3
195.10187	0.5
199.09747	13.7
200.10039	0.9
241.10861	0.6
249.97203	0.3
354.68658	0.3
361.15112	100.0
362.15482	11.0
376.23206	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.0855
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67001	2.2
59.01267	18.0
61.98709	5.2
66.61911	2.4
69.78455	13.0
86.69442	2.1
93.03357	3.6
94.71432	2.1
101.55303	2.6
103.41867	2.3
113.61872	2.3
117.03359	4.7
119.04939	48.4
121.02857	5.4
133.02904	3.3
134.03661	2.8
145.02870	9.9
149.02306	2.7
161.02374	6.8
163.03961	100.0
164.04329	6.0
165.01970	3.3
167.10738	2.7
177.01862	2.9
217.00212	4.0
219.97597	2.8
285.14920	4.9
329.14032	5.4
361.12933	5.1
361.16724	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	360.1461
Annotation	(+)-Galwesine
Peak:m/z	Relative Intensity
54.21405	0.3
59.01264	1.0
62.27829	0.3
64.01811	2.9
65.00197	0.6
65.99738	14.9
66.03366	0.9
67.00040	0.3
67.01743	0.3
69.63679	0.3
70.03572	1.7
78.03372	1.5
80.01339	0.4
83.01279	0.9
85.38200	0.3
92.01279	0.4
93.03368	0.7
94.02888	3.3
95.01265	1.5
105.03373	0.5
106.02903	0.7
114.09291	0.3
120.00800	0.4
121.01577	0.6
121.02905	0.4
122.02395	7.3
123.00828	2.2
123.03223	0.7
132.00781	0.7
133.01762	0.5
133.02879	3.2
134.02412	1.6
134.03555	0.5
138.01880	0.4
138.71904	0.3
139.03976	0.8
145.02940	0.4
148.01588	0.7
149.01202	0.6
149.02359	4.8
150.01891	4.7
150.03004	0.5
160.00375	0.5
161.02364	0.4
162.01930	3.2
163.00323	0.4
163.02655	0.4
176.01007	0.5
177.01898	16.5
178.01242	1.8
190.01392	0.8
192.21310	0.3
206.01114	0.4
224.02017	1.3
228.70961	0.3
229.84866	0.3
276.32544	0.3
289.25726	0.3
330.14816	1.0
360.14606	100.0
361.14938	11.1
366.30859	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.146
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	1.3
65.99744	1.8
68.99696	0.3
69.29921	3.4
72.55909	0.3
78.03375	1.1
79.01788	0.4
92.01281	0.4
93.03365	0.5
94.02866	0.9
95.01282	0.5
105.02106	1.1
105.03336	0.3
106.02920	2.0
108.02078	0.5
116.01315	0.3
118.02906	3.3
120.00842	0.7
121.02889	3.3
122.02373	1.6
123.00787	1.2
127.84821	0.3
131.01343	0.7
133.01634	1.7
133.02869	1.2
134.02422	2.7
138.01903	0.6
138.03017	0.4
139.03937	0.5
145.02870	0.6
149.01208	0.5
149.02376	5.5
150.01900	1.3
150.03122	0.7
153.12784	0.4
159.00812	0.8
160.00414	0.4
161.01114	0.8
162.01920	5.7
162.03195	0.6
163.02299	0.4
176.01086	0.6
177.01898	30.7
178.02222	1.3
180.04259	0.5
187.99864	0.4
190.01447	1.1
194.07426	0.3
200.72002	0.3
206.00851	0.8
224.02013	0.7
270.15082	0.6
287.15329	0.4
298.14688	0.4
330.14911	1.1
330.25720	0.3
360.14612	100.0
361.14920	10.2
361.90961	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.146
Annotation	(+)-Galwesine
Peak:m/z	Relative Intensity
50.00243	0.1
53.59512	0.1
55.01768	0.2
59.01264	0.4
64.01810	2.4
64.37367	0.1
64.71109	0.1
65.00219	0.4
65.99736	14.9
66.03376	0.8
67.00077	0.3
67.01788	0.4
68.99698	0.2
70.07629	0.3
70.08029	0.2
76.01812	0.3
78.03377	1.0
80.01325	0.2
83.01293	1.0
92.01315	0.3
93.03378	0.5
94.02882	3.0
95.01292	1.1
98.19825	0.1
105.03380	0.5
106.02889	0.9
107.01299	0.4
109.01598	0.4
120.00826	0.3
121.01592	1.0
121.02823	0.6
122.02399	8.2
123.00807	2.1
123.03268	0.9
132.00826	0.4
133.01617	0.5
133.02888	2.3
134.02415	1.8
134.03630	0.4
135.00771	0.2
137.02344	0.4
138.01936	0.3
139.03954	1.1
145.02933	0.1
148.01567	0.6
149.01126	0.3
149.02373	5.4
150.01917	4.4
150.03075	0.6
151.02740	0.6
151.11258	0.2
153.12830	0.2
160.00343	0.5
161.02429	0.4
162.01921	3.1
163.00380	0.2
163.02731	0.1
165.00626	0.3
166.01451	0.4
174.04105	0.1
176.01083	0.5
177.01903	17.0
178.01213	1.7
178.02644	0.1
190.01451	0.3
206.00978	0.5
224.01990	2.0
225.02251	0.1
330.14685	0.7
350.42194	0.1
360.14603	100.0
361.14941	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	360.0944
Annotation	Unknow
Peak:m/z	Relative Intensity
54.67620	0.2
55.01773	0.2
58.00472	0.7
59.01265	15.7
64.01810	0.9
65.99728	0.9
70.06618	0.4
70.07005	0.6
71.01266	6.5
72.12312	0.2
72.99197	0.6
73.02824	0.3
75.00776	0.2
80.18939	0.2
83.01262	0.6
85.02853	1.0
87.00776	0.8
89.02338	5.5
91.01788	0.2
92.01305	0.2
94.02889	0.3
95.01285	0.7
101.02348	5.1
106.02889	0.4
113.02385	1.0
119.03415	3.0
122.02371	0.9
122.03661	1.2
123.03197	0.2
124.03876	0.3
125.02375	0.2
134.02400	1.6
137.02364	0.2
138.01875	0.6
146.32491	0.2
149.02362	0.4
150.01915	1.9
150.03142	13.0
151.03560	0.4
152.03496	0.4
162.01923	1.8
163.02646	0.3
164.03470	0.5
179.02158	0.4
179.35405	0.2
180.02974	4.6
181.03346	0.2
198.04073	0.6
263.89124	0.2
276.40698	0.2
360.09427	100.0
361.09802	9.8
361.15024	1.3
362.72467	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2213
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	27.8
61.98700	0.6
66.50681	0.6
69.57346	4.1
70.58247	0.5
71.01273	1.0
84.38449	0.5
113.51852	0.7
117.03396	1.0
133.50264	0.6
135.88206	0.5
137.05992	1.2
145.02902	2.7
198.87785	0.6
259.20834	0.6
277.21774	100.0
278.22110	11.0
359.14993	2.5
359.22104	25.2
360.22464	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	359.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	100.0
60.01596	1.0
61.98712	1.0
71.01273	1.3
71.59740	1.6
75.77265	1.0
109.89872	0.8
117.03371	11.1
119.04945	43.1
120.05280	2.5
121.02870	3.4
121.95037	0.9
133.02869	1.6
135.04486	1.5
137.05977	2.5
140.22917	0.8
145.02893	30.1
145.41278	0.9
146.03291	1.5
147.00797	1.1
149.02351	1.5
156.49228	0.9
161.02368	2.7
161.04515	0.9
162.03255	1.1
163.02658	1.6
163.03949	14.1
163.07681	1.6
174.99214	1.8
175.03880	1.1
179.03423	1.5
181.08723	1.5
194.51385	0.9
194.92891	1.5
201.02483	1.4
214.53032	0.9
217.00305	8.1
271.97598	0.9
359.15109	48.9
359.27908	1.0
360.15549	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	359.1511
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78580	0.2
55.00082	0.2
58.80956	0.2
59.01267	0.8
71.29134	0.3
71.29460	0.4
72.99200	0.2
73.14743	0.2
98.59823	0.2
99.00791	0.6
107.60642	0.3
109.02820	0.3
110.03622	0.2
117.03381	33.9
118.03576	1.1
119.04906	1.5
121.02872	7.8
123.04445	2.6
123.08075	0.7
125.09570	0.3
131.04967	0.4
133.02870	2.2
134.03661	0.7
135.08099	0.6
137.06046	0.3
137.09737	0.4
145.02892	100.0
146.03241	4.5
151.11261	0.3
153.09154	3.1
161.02364	0.5
162.03169	4.8
163.03882	0.6
163.07565	0.2
169.70067	0.3
178.02669	0.3
190.06323	1.5
217.00279	0.7
223.09790	3.2
255.13921	0.4
299.18369	0.2
315.16119	0.9
316.15973	0.3
327.12454	3.6
328.12845	0.5
359.15094	45.3
360.15430	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	359.1356
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	100.0
59.91078	0.4
60.01599	1.6
61.01673	0.6
61.98718	1.8
69.72887	1.3
69.73301	1.6
71.01276	6.6
73.02853	1.6
75.00765	0.7
76.74007	0.4
81.03342	0.5
83.01349	0.4
85.02865	2.0
86.65389	0.4
87.00740	0.6
89.02332	0.7
96.47608	0.7
99.00783	1.0
101.02352	3.6
106.04180	1.3
107.04939	0.6
113.02367	2.6
113.66956	0.6
119.04941	1.4
123.00827	0.9
135.04411	2.6
136.04800	1.3
137.06015	58.6
138.03278	0.5
138.06323	2.7
143.03415	1.0
159.03061	0.7
161.04497	8.6
162.04802	0.5
182.02243	0.6
197.04604	1.3
207.54668	0.5
214.36893	0.5
229.88394	0.5
299.11444	1.4
324.62720	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1355
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26902	0.5
59.01265	100.0
60.01583	1.4
61.56419	0.4
61.84875	0.5
61.98723	1.1
69.10947	0.5
71.01273	5.4
71.06824	1.1
73.02856	1.6
83.01271	0.8
85.02847	3.1
87.00859	0.6
101.02365	3.5
106.04130	2.6
107.04951	0.5
113.02345	2.8
119.04986	2.3
123.00840	0.9
135.04419	1.0
136.04881	0.7
137.06012	53.8
138.03178	1.4
138.06340	2.9
159.02887	0.8
161.04503	10.2
161.05812	0.6
166.99890	0.7
182.02251	1.0
197.04683	1.1
198.72609	0.5
201.92763	0.5
215.58244	0.5
299.11404	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	0.9
70.60744	0.6
70.61101	0.6
72.62897	0.3
93.03363	0.3
95.04905	0.4
96.73803	0.3
98.20485	0.4
99.00815	0.5
117.03379	32.8
118.03593	1.4
119.04936	2.6
121.02876	7.6
123.04436	2.7
123.08077	1.1
131.04942	0.4
133.02890	1.8
134.03645	1.0
145.02890	100.0
146.03232	3.9
151.11259	0.5
153.09175	2.8
162.03168	4.2
163.03964	1.9
175.04091	0.4
179.10771	0.3
190.06290	1.5
191.07019	0.6
196.15547	0.3
200.58232	0.3
217.00241	0.4
223.09724	3.0
231.16579	0.3
255.13776	0.4
284.36380	0.4
301.34854	0.3
315.15970	1.2
327.12439	3.4
328.12970	0.4
359.15082	46.6
360.15381	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	357.2655
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03337	43.9
58.03693	0.7
59.01260	0.5
69.03345	3.6
71.04905	1.6
85.02859	0.7
85.06482	12.2
87.85611	0.5
95.18043	0.4
97.06488	2.5
99.08061	8.5
100.08355	0.5
113.09640	2.1
123.02745	0.5
123.08070	2.6
125.09637	7.3
135.04445	1.6
136.00058	0.5
137.09653	0.8
141.09148	1.5
143.10715	30.4
144.11049	1.9
151.11229	0.5
153.05666	0.4
153.12758	0.9
155.10716	1.4
171.13861	2.7
179.03491	0.7
181.15952	2.1
195.13905	1.8
211.17001	4.2
212.17207	0.6
227.16557	0.8
229.18105	49.9
230.12012	0.7
230.18475	3.7
297.24420	2.9
298.24731	0.5
313.27560	33.2
314.27945	3.6
357.26532	100.0
358.26837	12.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17122	0.1
53.36300	0.1
59.01259	1.2
70.03298	0.6
73.02828	1.1
82.43863	0.1
93.03358	0.2
95.04980	0.1
97.06489	0.3
98.20448	0.2
99.00797	0.4
109.02856	0.3
117.03378	35.4
118.03594	1.0
119.04940	4.5
121.02872	7.0
121.20270	0.1
122.03202	0.3
123.04436	2.6
123.08073	1.2
125.09631	0.2
130.04265	0.2
131.04922	0.4
133.02873	1.5
134.03629	0.6
135.08092	0.4
135.11287	0.2
145.02887	100.0
146.03230	4.7
146.04211	0.1
146.04442	0.2
147.04491	0.2
149.02345	0.2
152.91621	0.2
153.09128	2.4
162.03180	3.4
163.03972	2.5
163.07426	0.2
175.03929	0.4
190.06282	1.3
191.07085	0.2
202.02702	0.3
203.03476	0.2
217.00330	0.7
223.09772	2.3
255.13791	0.2
276.93195	0.2
315.16043	0.5
327.12436	3.5
328.12894	0.2
359.15076	52.8
360.15430	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	358.0941
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19213	0.8
59.01260	4.7
61.98718	100.0
64.24986	1.0
69.24898	4.2
69.25318	7.3
71.54777	1.0
80.43665	0.9
87.23684	1.0
91.52049	0.9
117.03366	1.3
121.02908	2.9
127.99580	1.0
132.02058	1.2
133.02899	13.3
133.06522	6.6
135.04474	1.9
136.04779	1.3
137.06041	2.1
145.02878	3.6
161.02391	73.6
162.02727	4.5
198.94145	0.9
217.00366	2.6
295.09808	12.2
296.10153	1.5
357.30176	1.7
358.17593	1.3
359.14914	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	359.1357
Annotation	Semperoside
Peak:m/z	Relative Intensity
58.00477	4.0
59.01266	100.0
69.45215	8.3
69.45638	6.3
71.00894	3.5
71.01275	53.9
72.99186	3.6
73.02850	3.4
75.39344	1.7
83.01284	2.9
85.02845	10.6
87.00760	3.4
89.02335	53.0
95.01258	3.0
101.02338	34.1
113.02362	22.4
119.03423	24.4
119.04922	15.6
121.02866	2.8
122.03663	3.1
137.02380	3.8
137.05989	6.6
143.03378	3.7
153.05484	4.5
161.04556	4.7
179.05573	9.5
179.07021	3.4
181.01306	2.5
182.05869	4.5
197.04523	18.0
197.06087	2.4
197.06395	2.3
197.08142	19.7
211.05998	3.9
239.05687	12.3
294.37314	1.7
299.07990	3.9
299.11340	28.1
304.48462	2.1
359.09851	31.1
359.13647	11.9
360.10181	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	357.2656
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01772	1.0
57.03337	43.2
58.74961	0.8
59.00996	0.9
59.01265	11.6
60.45840	0.7
61.98709	0.9
69.03334	4.1
69.99957	1.2
70.00362	3.2
71.01282	4.1
71.04900	1.2
73.02819	4.3
85.02847	1.2
85.06482	13.0
86.55448	0.6
89.02325	2.0
96.06419	0.6
97.06484	3.0
99.08054	8.5
101.02336	2.8
107.04884	0.7
113.09633	2.6
119.03445	1.2
121.02856	4.9
123.04441	0.7
123.08061	1.9
125.09639	7.9
133.02872	1.0
135.04456	5.8
136.01585	2.1
141.09177	1.4
143.10712	29.5
143.71397	0.8
144.11011	0.9
145.60239	0.7
146.03688	17.4
147.04166	0.8
149.02429	0.8
151.03952	2.5
153.05569	1.5
153.12785	0.9
155.10690	1.4
161.02409	2.3
161.04497	5.6
161.06026	6.2
163.03952	2.6
164.04747	10.4
171.10265	1.0
171.13838	2.2
177.05499	1.1
179.03473	8.3
179.07088	28.8
180.07428	2.7
181.15878	1.7
185.15448	1.0
194.05826	5.0
195.13849	1.3
211.17012	5.0
227.16504	1.8
229.18102	44.7
230.18457	2.7
281.08368	1.1
283.09814	0.9
297.11804	0.9
297.24487	3.6
309.07758	2.5
313.27560	27.7
314.27905	3.1
315.18179	17.2
316.18515	2.3
324.10135	5.7
325.10260	0.9
327.12372	0.9
339.12485	1.5
342.11041	2.1
357.13580	14.5
357.23035	3.5
357.26541	100.0
358.13803	2.3
358.22968	1.3
358.26901	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	357.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24846	0.4
59.01267	100.0
60.01594	1.3
61.98728	0.8
65.52586	0.4
71.01288	0.7
71.57813	0.8
83.78483	0.5
89.02341	0.5
117.03407	0.8
119.04942	3.5
121.02872	2.7
135.04430	5.2
136.01625	0.5
145.02896	2.4
151.03958	1.0
163.03961	5.0
174.61404	0.5
178.62802	0.4
192.95825	1.1
203.49265	0.5
214.44470	0.5
215.88072	0.5
245.47769	0.5
297.12265	1.0
329.23636	1.1
342.11111	0.6
350.01340	0.4
357.06342	0.7
357.13412	3.8
357.16943	0.5
357.26956	0.5
358.13330	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40831	0.5
52.55217	0.5
55.50006	0.6
59.01268	4.5
59.76419	0.6
69.24928	1.2
69.25336	5.2
71.01251	0.7
81.26862	0.5
89.02292	0.5
98.20747	0.5
101.02341	0.7
107.04903	0.6
119.04951	1.0
121.02856	2.4
121.10132	1.7
125.09624	1.6
127.11185	2.4
135.04454	4.1
136.01605	1.6
136.04691	0.6
137.09639	1.3
139.11151	1.0
145.02934	0.6
151.03909	1.5
153.09145	0.9
171.10223	65.5
172.10538	2.5
177.12775	0.6
201.09494	0.5
244.79478	0.6
297.11972	1.1
307.22794	1.7
309.77145	0.6
310.09857	0.7
315.19006	0.7
325.23831	0.9
357.17142	2.0
357.26529	100.0
358.26880	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	357.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67149	0.2
55.01774	1.0
57.03341	0.6
58.00484	0.8
59.01264	37.3
60.01590	0.3
69.03339	0.3
69.60702	1.8
71.01268	15.3
72.01610	0.3
72.99197	1.3
73.02835	35.0
74.03185	0.5
83.01271	3.0
85.02842	4.8
87.00761	3.2
89.02333	5.8
95.01302	0.6
97.02853	1.0
99.00782	0.9
101.02343	17.1
102.02690	0.4
113.02364	2.2
119.03407	4.6
125.02347	0.4
135.04462	0.3
143.03410	0.9
149.73726	0.2
151.03951	0.3
161.04497	35.9
162.04907	1.2
171.10393	0.3
179.05479	0.3
297.16953	0.5
315.18176	100.0
316.18515	9.4
321.82434	0.3
357.19217	2.0
357.23038	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.193
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03338	1.0
59.01266	100.0
60.01606	2.0
60.09359	0.5
61.98709	0.6
71.01270	7.5
71.57891	0.6
72.99226	0.5
73.02845	2.4
75.18865	0.5
78.44248	0.5
80.45073	0.5
83.01263	1.0
85.02854	3.5
89.02359	1.9
99.00821	1.0
101.02350	3.7
107.04943	0.8
113.02365	2.6
119.03413	1.1
121.02872	1.5
132.04539	0.5
135.04459	6.8
136.01622	1.3
143.03499	0.5
145.02943	0.6
146.51166	0.4
151.03952	1.9
161.04495	4.3
164.04669	0.5
237.28708	0.5
252.24919	0.6
297.12234	0.9
315.18304	3.2
357.13702	0.8
357.22986	1.2
357.26733	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	357.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01770	0.6
56.40063	0.3
57.03329	0.9
59.01266	100.0
60.01612	1.4
69.49302	2.4
70.66838	0.2
71.01271	5.8
73.02834	2.0
83.01276	0.6
85.02840	3.1
87.00820	0.3
89.02357	1.4
95.01295	0.7
99.00790	0.7
101.02359	3.6
113.02354	2.3
119.03432	0.4
120.75723	0.3
121.84288	0.3
127.08480	0.3
129.25615	0.2
135.04453	1.2
159.03000	0.5
161.04497	3.5
191.24721	0.3
192.39278	0.4
315.18213	4.3
315.21710	0.4
316.18701	0.6
357.18329	0.3
357.26566	0.6
362.21640	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10639	0.4
59.01267	14.8
69.80834	0.7
69.81243	1.7
71.01260	0.4
98.20527	0.7
107.42624	0.3
108.05791	0.4
117.03379	24.6
118.03666	0.7
119.04951	9.5
120.05260	0.6
121.02866	6.4
123.04404	1.4
133.02881	1.2
134.27576	0.4
135.04468	2.4
145.02887	84.3
146.03221	3.7
151.03947	0.8
157.91858	0.3
162.03188	2.3
163.03954	6.1
163.05219	0.6
177.01939	0.4
189.05486	0.4
277.64886	0.3
297.12091	0.6
297.15039	2.1
315.16083	0.6
357.17154	100.0
358.13040	2.6
358.17529	11.3
364.72574	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	0.8
57.03332	0.7
58.00476	0.9
59.01266	22.3
60.01595	0.3
69.03355	0.4
69.75019	1.3
71.01272	17.2
72.02073	0.3
72.99191	1.4
73.02836	28.1
74.03182	0.4
83.01275	2.2
85.02842	4.3
87.00768	3.1
89.02342	4.7
92.82884	0.2
95.01276	0.6
97.02850	0.7
99.00781	0.8
101.02348	16.6
102.78938	0.3
109.02835	0.7
113.02359	2.2
117.92886	0.3
119.03415	3.8
121.02858	1.1
122.03615	0.5
123.00821	0.4
123.04503	0.3
124.01566	0.4
125.02351	0.4
129.49356	0.3
135.04459	2.7
136.01595	6.8
137.02405	2.1
143.03464	0.4
145.02837	0.3
147.04533	0.3
151.03944	9.0
152.04283	0.4
161.04506	32.9
162.03160	0.4
162.04848	1.0
163.03960	0.6
175.03949	0.4
177.02010	0.3
179.03470	0.6
179.05544	0.3
179.07045	0.4
205.05048	0.4
240.88103	0.2
311.13278	0.3
315.18198	100.0
316.18518	10.0
327.08823	0.3
342.11221	0.6
356.58179	0.4
357.09808	3.2
357.13556	2.3
357.17767	0.5
357.22745	0.5
357.26617	1.0
358.10123	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01268	32.9
62.95435	0.4
69.42612	3.2
117.03378	24.8
118.04169	1.3
119.04941	6.1
121.02877	12.0
122.03168	0.4
123.04437	3.6
133.02902	2.4
134.03680	0.9
144.14388	0.3
145.02892	57.7
146.03200	1.8
162.03185	6.1
163.03958	3.7
269.11926	1.2
297.15060	5.9
315.16168	1.1
357.17163	100.0
358.17502	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	357.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01272	1.2
66.66105	0.3
69.91029	1.0
69.91441	0.8
117.03378	25.1
118.03699	1.2
119.04950	2.3
121.02863	2.3
123.04446	0.5
133.02783	0.4
145.02887	100.0
146.03229	4.2
148.74875	0.3
162.03128	0.7
163.04010	1.5
185.73480	0.4
259.46655	0.3
297.14996	1.3
315.16064	2.4
316.16321	0.3
316.69681	0.3
357.17154	97.5
358.17447	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	357.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92773	0.2
52.28214	0.2
59.01270	1.4
71.56658	0.3
72.99305	0.2
79.21365	0.2
81.19683	0.3
103.18757	0.3
117.03378	21.8
118.03574	0.3
118.04282	0.3
119.04938	3.9
120.74066	0.3
121.02870	3.2
123.04448	0.8
133.02867	0.6
145.02887	84.1
146.03224	4.5
162.03209	1.5
163.03928	2.4
297.15085	2.4
298.15378	0.3
315.16049	3.5
316.16428	0.6
357.17145	100.0
358.17474	11.1
358.21909	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1348
Annotation	Saururin A
Peak:m/z	Relative Intensity
57.56765	0.3
59.01265	2.6
61.98727	0.4
71.01274	0.3
71.06544	0.3
71.57528	0.2
71.58033	0.3
93.03396	0.3
102.92309	0.3
107.04956	1.1
117.03381	19.8
118.03660	0.4
118.87057	0.3
119.04947	60.5
120.05286	2.9
121.02876	7.3
123.04457	2.0
133.02875	1.4
133.06561	0.9
135.04456	8.5
136.01614	0.5
136.04767	0.6
145.02895	27.1
145.06544	0.9
146.03276	1.1
146.58864	0.3
150.03194	0.6
150.94719	0.3
151.03966	1.0
162.03168	1.6
163.03966	61.1
164.04532	5.1
165.05270	0.4
177.05542	16.2
178.06244	2.2
179.07072	1.5
181.05106	0.7
182.02202	0.3
189.05510	0.5
192.95869	0.5
195.06519	0.4
211.56247	0.3
240.94930	0.3
253.59035	0.2
261.33203	0.3
327.08817	4.8
328.09082	0.4
341.10349	0.5
342.11139	6.7
343.11423	0.5
357.13507	100.0
358.13864	11.5
378.52817	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1353
Annotation	Unknow
Peak:m/z	Relative Intensity
55.49974	1.0
59.01262	2.0
67.05771	1.1
69.94753	6.0
93.03361	1.2
108.02085	21.7
121.02873	3.0
121.06532	1.5
123.04443	31.7
130.04156	1.2
131.04918	2.7
132.54787	1.1
135.04459	3.9
145.02853	3.4
145.06538	1.6
146.03604	2.2
147.04457	4.5
148.05255	10.1
149.02388	2.7
149.06023	8.3
150.03151	10.8
151.03868	1.2
158.03647	4.4
159.04456	14.5
160.05244	24.8
161.02386	2.6
161.06023	5.5
162.03163	8.0
162.06778	1.4
163.03929	2.1
164.04735	3.2
165.05475	3.3
171.04407	1.3
173.06041	3.6
174.03181	10.5
174.06847	1.2
175.03790	1.0
175.07594	8.0
176.04771	6.3
177.05531	92.3
178.06288	28.4
179.06749	1.4
180.04256	2.3
187.03979	14.7
188.04768	20.2
191.05453	2.3
191.07100	29.9
192.04210	4.2
192.07864	15.0
193.05038	1.6
193.08545	2.8
194.05792	1.5
202.06371	1.2
203.07121	100.0
204.07458	7.7
206.05847	17.2
210.05280	10.2
219.06496	2.0
220.07376	3.0
221.08189	74.0
222.08557	4.6
224.06882	19.1
233.08162	2.5
251.07309	1.4
253.08766	1.5
263.07111	3.3
279.06552	1.3
280.07535	4.9
281.08322	6.7
283.09863	1.8
284.45407	1.3
291.06702	4.0
296.10516	1.8
297.07806	2.9
302.28320	1.2
309.07785	4.9
309.11160	1.3
311.12561	2.6
313.10806	5.4
321.11508	2.0
324.10184	5.9
327.12372	12.3
329.54639	1.2
339.12457	43.6
340.12756	5.1
342.11020	1.6
357.09940	1.9
357.13498	47.3
358.14075	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	357.0986
Annotation	Cimiracemate B
Peak:m/z	Relative Intensity
59.01271	2.8
65.80158	0.6
70.16288	1.7
70.16690	1.0
90.17558	0.5
93.03347	2.9
96.33022	0.6
97.57384	0.5
108.02084	0.7
109.02824	0.6
117.03382	2.6
119.04944	100.0
120.05298	4.7
121.02870	3.0
124.01567	2.6
135.04466	4.4
136.01559	0.9
137.02362	1.1
138.03143	1.2
139.03951	1.4
145.02902	8.2
149.02417	3.1
150.03175	2.6
151.03841	0.8
152.01057	1.0
159.04404	0.6
161.02367	2.7
162.03160	1.5
163.03955	76.1
164.04333	4.0
166.02608	1.4
167.03436	0.6
168.57352	0.6
169.06418	0.7
173.06012	1.0
175.03949	0.8
176.01086	1.2
177.01904	1.7
177.05557	0.8
178.02661	12.0
179.03389	1.0
181.46117	0.5
191.03467	1.6
192.04192	0.7
193.05032	7.4
193.06619	1.0
199.07614	0.7
200.55307	0.5
206.05727	0.6
209.06071	1.4
211.07799	0.7
217.05132	1.3
227.07230	0.6
237.05603	3.9
253.05200	0.7
254.05911	3.4
255.06647	10.1
256.07101	1.2
267.06732	1.2
268.07544	1.6
269.08218	3.0
270.08932	1.2
282.05356	2.7
283.09787	2.8
284.09918	0.6
297.07791	1.9
297.11914	0.7
298.08484	2.3
299.16748	0.7
313.07770	0.8
313.10764	3.7
315.16086	0.7
342.07486	4.4
357.09885	28.0
357.16681	5.3
358.10229	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	357.1201
Annotation	Grevilloside E
Peak:m/z	Relative Intensity
58.00468	2.1
59.01264	51.5
61.42797	0.7
64.52101	0.7
70.31780	0.7
71.01272	26.0
71.13615	2.1
72.99206	1.2
73.02837	42.3
78.71272	0.8
83.01274	9.7
85.02837	2.6
87.00760	1.3
89.02338	12.9
95.01284	1.0
97.32021	0.6
99.00817	0.9
101.02343	30.8
107.04898	1.3
113.02361	5.3
119.03431	9.4
123.04436	2.5
125.02379	1.5
131.03424	1.3
134.03612	1.2
135.04448	100.0
136.04771	5.0
143.03339	1.1
151.03926	2.8
153.05513	5.5
161.04553	4.0
180.04272	1.6
195.03014	1.0
195.06543	1.9
196.73944	0.9
234.85562	0.8
264.10934	0.8
285.16675	0.9
297.09814	4.6
315.10934	63.0
316.11121	5.6
357.11978	41.0
358.12411	4.8
358.16135	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.12
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97994	0.8
58.00487	0.9
59.01266	57.6
62.22175	0.8
68.10786	1.1
68.81670	0.8
71.01272	14.5
72.99202	1.1
73.02838	10.8
75.00767	2.4
75.37001	0.9
83.01299	2.3
85.02850	3.1
87.00763	1.7
89.02346	11.2
90.00816	0.9
95.85017	1.0
101.02352	13.3
107.04922	7.5
113.02347	4.6
114.29641	0.9
119.03449	4.5
120.07765	0.9
123.04478	1.4
135.04449	100.0
136.04774	4.8
151.03889	1.7
153.05550	1.7
155.56454	0.9
161.04500	3.6
165.04016	5.2
179.05576	1.8
185.38655	0.9
191.05577	3.3
219.77274	0.9
231.15215	1.0
265.55676	1.2
297.12277	10.0
298.12216	1.2
315.10947	24.7
316.11334	1.8
357.12054	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	357.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	0.2
63.16704	0.1
68.99706	0.2
69.03370	0.3
71.01272	0.2
84.02056	0.4
85.02843	0.4
93.03361	1.4
95.01273	0.2
97.02834	0.2
107.04929	0.1
108.02081	1.6
109.02874	0.8
121.02872	8.1
122.03669	3.0
123.00803	0.4
123.04451	0.3
123.17452	0.1
124.01577	0.6
134.03673	0.9
135.04509	0.6
136.01591	72.0
137.02249	2.7
145.06558	0.2
147.04382	0.2
149.02422	0.1
149.05978	0.5
151.03947	100.0
152.04280	4.6
153.01811	0.2
154.02655	0.4
159.04492	0.7
159.61180	0.1
160.05246	1.1
161.02397	0.4
161.05978	0.3
162.03175	1.3
163.03963	1.3
164.04576	0.1
173.06013	0.2
175.03969	0.7
175.07584	1.2
176.04723	0.6
177.01949	0.1
177.05547	1.2
179.03407	0.5
187.03986	0.4
188.04736	0.3
189.05580	0.7
190.06291	0.3
193.05017	0.2
195.06648	0.2
203.07074	0.5
211.83789	0.1
241.05118	0.4
256.07492	0.2
267.06845	0.2
276.92175	0.1
296.10641	0.2
311.12952	1.1
312.13397	0.2
327.08997	0.1
327.12418	0.1
342.11160	4.2
343.11459	0.5
357.13510	25.4
358.09464	0.2
358.13837	3.3
361.53427	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	356.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	3.2
59.01270	23.9
59.50239	3.3
61.98714	4.3
68.65765	3.4
69.27336	31.6
71.01289	4.5
81.03335	3.3
89.02317	4.7
96.08107	5.7
97.06493	6.2
119.04926	4.2
121.02882	14.1
121.11900	2.9
125.09644	38.4
134.03676	8.6
134.09653	7.6
135.04442	19.3
136.01620	3.9
136.11259	54.4
145.02901	6.8
152.10721	13.4
163.03983	5.1
163.11198	7.3
165.12852	5.7
171.10216	85.6
172.10559	3.5
185.11790	81.3
192.95787	8.4
193.05087	8.8
209.11870	32.6
211.13501	4.9
224.12889	3.8
244.20737	7.2
262.21835	6.2
279.19681	20.6
288.19781	23.6
297.11798	4.7
306.20807	100.0
307.21262	8.8
324.21863	72.6
325.22211	5.6
338.23389	3.6
356.07913	5.0
356.24609	20.8
357.06076	4.2
357.13171	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	357.0623
Annotation	3,8-Dimethoxy-5,7-dihydroxy-3',4'-methylenedioxyflavone
Peak:m/z	Relative Intensity
59.01267	0.6
69.73955	1.4
77.03870	0.3
93.03374	0.3
101.16736	0.2
121.02872	100.0
122.03208	4.2
135.04428	0.7
151.03938	0.3
165.01808	1.0
180.05753	1.9
181.06548	6.9
181.08160	0.4
182.06950	0.4
186.82646	0.2
199.07553	0.2
225.05566	5.5
226.06065	0.5
226.88937	0.2
228.88295	0.3
313.07242	8.4
314.07626	0.6
315.18109	0.2
334.04599	0.2
357.06229	36.2
358.06543	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	355.2286
Annotation	19-(2-furyl)nonadeca-5,7-diynoic acid
Peak:m/z	Relative Intensity
54.38592	1.6
58.29930	1.6
59.01262	14.6
71.37609	3.4
71.37988	2.9
75.01324	1.8
85.02845	2.6
101.02364	2.4
122.03665	7.9
135.04477	17.9
140.89641	1.6
149.06006	4.2
149.09669	6.2
151.07593	3.0
161.04503	2.2
161.09677	7.7
162.59689	1.7
163.07628	2.7
163.11244	45.9
164.08421	10.8
165.09160	5.9
169.07623	1.7
177.09180	54.6
178.09920	16.4
179.10742	59.7
180.11079	2.3
191.10747	12.0
193.08719	8.6
267.17996	1.6
280.14679	3.7
298.12564	3.3
298.15787	41.1
299.16159	4.7
337.21811	42.5
338.22147	6.5
340.20499	79.9
341.20920	11.8
355.22861	100.0
356.23264	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	356.0421
Annotation	7-Hydroxyaristolochic acid
Peak:m/z	Relative Intensity
52.64796	2.4
59.01248	10.3
63.02274	7.8
64.01781	2.4
65.00198	9.7
65.99718	4.3
71.01259	5.0
82.00506	3.1
83.01270	7.2
85.02837	3.0
93.03345	3.8
95.01274	6.0
96.99213	3.2
97.76067	2.5
98.20531	4.5
99.00780	2.5
105.12988	2.6
106.06542	14.7
107.01286	16.1
109.02850	7.8
109.99990	7.5
111.00782	16.1
121.02853	9.0
123.00790	7.4
124.01517	5.0
125.02321	6.7
133.02866	4.3
135.04408	3.8
136.98706	4.5
137.02303	4.6
137.99548	3.4
139.00296	22.5
145.02943	3.9
145.04242	2.7
147.00732	2.9
147.04521	3.0
148.03984	4.7
149.02386	14.5
149.04440	7.5
150.05550	13.7
150.75594	2.9
151.00293	38.7
151.07500	2.6
152.01051	9.1
158.02361	3.9
160.03932	5.5
161.02347	8.0
162.01904	9.7
163.00278	8.1
163.03812	2.6
164.01060	10.4
165.99013	15.0
166.99794	16.0
168.00330	2.7
169.01376	7.3
171.04436	4.2
173.04440	5.1
176.00996	2.9
176.03482	14.7
177.01866	13.8
178.99823	42.7
186.01894	10.9
188.03487	5.2
192.00551	5.2
193.01414	10.2
194.04541	3.5
194.99295	12.0
198.01830	6.0
201.01811	3.5
202.01387	9.3
204.03015	3.8
205.01398	3.0
206.00926	5.6
206.99370	6.6
211.03935	5.6
214.01349	16.6
215.03575	3.1
218.00854	5.6
227.03453	5.6
228.03017	3.3
229.01369	3.2
230.00902	7.0
239.03537	3.2
242.02161	4.2
243.02939	9.2
246.01703	2.8
255.03000	5.6
257.04520	5.3
259.02481	4.9
267.02951	3.2
270.01682	5.8
271.02524	14.4
272.03082	4.6
282.04245	3.3
283.02612	8.2
285.04013	7.4
286.03955	3.1
287.02036	5.7
288.02582	3.0
289.03497	2.8
298.01120	3.5
299.01862	14.7
301.03760	12.5
310.03549	9.2
311.01926	23.1
312.02017	3.8
312.05310	3.8
315.01385	4.2
316.02295	100.0
317.02734	9.7
328.04547	4.0
329.02878	15.6
338.03091	30.9
339.03146	4.0
356.04126	89.5
357.04562	8.5
357.15286	4.1
359.60150	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
55.97828	0.8
59.01266	100.0
60.94551	0.8
71.01273	13.2
73.02835	15.7
78.95798	9.9
83.01287	1.1
85.02827	4.2
96.96854	1.6
97.04873	0.8
101.02357	7.9
106.48845	0.8
113.02357	3.2
127.05206	0.8
132.05685	1.1
133.06522	62.9
134.06876	3.5
149.06021	3.1
150.03180	1.5
150.06360	2.2
151.06552	1.7
152.99521	17.5
153.90395	0.9
159.03011	1.3
161.04506	47.1
162.04846	1.8
229.68130	1.4
355.15317	2.1
356.08084	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	355.1559
Annotation	Secundiflorol G
Peak:m/z	Relative Intensity
59.01268	43.5
71.01256	1.9
71.58682	1.3
71.59048	1.0
85.02837	0.9
93.03336	1.8
96.01720	0.7
101.02357	1.3
113.02325	0.9
117.03378	55.9
118.04269	0.9
119.04940	6.7
121.02872	41.1
122.03217	1.3
123.04443	15.3
125.87923	0.9
133.02895	10.8
133.06526	2.8
134.03661	4.7
145.02892	46.0
146.03249	1.7
147.36977	0.7
149.02362	1.0
149.05952	1.1
149.26637	0.9
161.04512	2.1
162.03171	21.3
163.03978	7.0
177.60489	0.8
217.72644	0.9
295.13440	5.3
296.13965	0.9
317.16602	1.8
355.15579	100.0
356.15848	11.7
356.19745	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1042
Annotation	1-O-Feruloyl-beta-D-glucopyranose
Peak:m/z	Relative Intensity
52.15791	0.2
58.00476	0.4
59.01263	9.4
62.99352	0.3
69.89600	1.5
71.01270	4.6
72.99213	0.4
73.02823	0.3
85.02836	1.4
88.62337	0.3
89.02338	3.3
95.01283	0.7
101.02369	1.9
105.61345	0.2
113.02351	2.1
117.03389	0.3
119.03443	0.9
121.02679	0.2
124.09441	0.3
132.02100	12.3
133.02443	0.3
134.03656	8.4
135.04103	0.3
147.04445	0.8
149.06029	2.0
150.03142	0.2
151.03970	0.3
160.01602	67.2
161.01924	3.7
171.89029	0.2
174.03188	0.7
175.03958	100.0
176.04431	5.1
177.05470	0.3
178.02658	0.5
179.05594	0.3
191.05574	0.3
191.07111	1.9
193.05014	17.6
194.05302	1.2
202.02661	0.9
207.06598	0.6
217.05045	5.1
218.05188	0.3
235.06111	3.1
236.19218	0.3
237.50948	0.3
265.07257	0.7
295.08301	2.2
322.83835	0.3
355.06165	0.4
355.10391	7.0
356.06476	0.6
356.10706	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1194
Annotation	Vitedoin A
Peak:m/z	Relative Intensity
57.03317	0.6
58.45584	0.6
59.01266	8.0
63.73796	0.7
70.93792	1.6
71.01270	1.4
73.02859	0.9
81.03371	0.8
85.02837	0.7
93.03332	0.7
98.95380	0.6
101.02351	1.1
110.48330	0.6
119.04961	4.5
121.02866	0.9
123.04429	1.0
123.34904	0.5
133.06485	1.0
147.04451	11.1
148.05212	1.3
149.02412	1.2
150.03165	1.6
151.04007	1.0
161.04564	1.1
164.04794	1.0
165.05495	0.8
173.02420	0.7
175.03967	86.9
176.04744	42.4
177.05138	1.6
189.05524	6.8
190.06317	25.1
191.06822	0.7
203.03374	0.8
204.04260	17.6
205.04553	0.7
208.03745	16.6
217.05040	12.1
218.05833	8.9
219.06627	34.4
220.06947	2.1
222.05338	25.3
223.05685	1.7
223.07660	1.1
231.06638	1.9
234.06975	0.9
235.07655	1.7
237.05467	1.8
239.07201	1.5
249.05536	1.0
250.06339	1.0
251.07228	1.6
251.31940	0.6
253.04967	0.8
267.06683	3.9
268.07303	0.8
279.06659	7.5
280.06970	1.5
291.06641	2.2
294.09009	2.5
295.06161	9.2
296.06921	11.8
297.07751	1.5
306.09012	1.7
307.06226	10.8
308.06451	0.9
310.08490	4.0
311.09326	12.9
312.09677	1.6
322.08496	6.0
323.09042	0.7
325.07123	1.0
325.10791	7.0
326.11224	0.8
327.12448	2.2
337.10934	6.8
337.14883	0.9
337.16528	0.7
338.11172	1.4
340.09634	1.9
355.11954	100.0
355.24420	1.6
356.08447	1.2
356.12277	11.4
375.79898	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53785	0.3
50.98102	0.3
50.98334	0.3
53.58251	0.2
59.01270	4.2
63.38328	0.3
65.71997	0.3
69.85180	1.7
71.01263	0.6
83.27258	0.3
85.02851	0.5
89.02349	0.7
93.03361	1.1
95.40147	0.4
101.02406	0.3
117.03374	7.5
118.03705	0.4
119.04946	64.6
120.05254	2.1
121.02876	3.6
123.04444	1.1
133.02872	0.9
133.06543	0.9
136.54752	0.3
139.11211	0.3
141.12799	0.7
145.02838	0.4
160.07933	0.3
161.02370	0.9
161.04527	0.8
162.03188	1.7
163.03958	100.0
164.04285	4.7
171.10268	0.3
171.13905	0.5
172.10599	0.3
176.04758	0.7
177.05453	0.4
185.11784	0.4
191.05588	0.5
191.07111	0.6
201.01823	0.6
207.23343	0.3
237.54376	0.3
296.10498	0.4
311.25980	0.7
355.07477	0.5
355.11972	7.0
355.15952	0.7
355.24966	1.2
356.12186	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1042
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29506	0.4
53.27562	0.4
59.01266	8.5
71.01270	4.9
71.56323	0.6
72.99200	0.8
83.99129	0.4
85.02832	1.4
87.00779	0.6
89.02356	2.9
95.01288	0.6
101.02373	2.1
101.38653	0.3
109.34988	0.4
113.02361	1.8
119.03419	1.1
132.02094	11.2
134.03673	7.8
149.02425	0.4
149.06012	1.4
151.03951	0.8
160.01614	59.8
161.01949	3.0
161.04553	0.4
174.03131	0.5
175.03976	100.0
176.04478	5.1
178.02693	0.8
191.05637	0.7
191.07150	1.7
192.05911	0.6
193.05034	17.4
194.05473	1.2
207.06482	0.6
217.05070	6.9
235.06149	3.4
248.08565	0.4
265.07123	0.9
268.97769	0.4
295.08118	2.3
355.10434	8.3
356.06247	1.8
356.10559	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.1026
Annotation	Unknow
Peak:m/z	Relative Intensity
56.31432	0.8
56.72016	0.9
57.03332	1.3
59.01265	5.9
61.75889	0.9
62.46500	0.8
70.01381	5.6
71.01266	1.2
73.02838	1.0
84.04441	20.5
85.02873	0.9
101.02325	1.4
120.01200	1.3
135.04375	1.2
138.65225	0.9
147.08087	5.7
149.06030	2.1
150.06320	3.0
162.02257	100.0
163.02451	2.1
191.05521	1.2
359.49335	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.1377
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	87.7
59.38407	8.1
61.98714	12.9
71.01262	14.6
71.57029	13.6
75.94976	6.8
85.02839	7.7
94.00970	7.4
95.62399	6.6
97.06055	7.6
105.89285	7.2
119.04945	59.6
119.70796	7.2
120.05280	24.4
133.06538	12.2
145.02892	23.5
146.03256	20.5
149.06007	53.1
150.06364	53.2
161.04500	8.8
163.03969	66.3
164.04326	47.3
171.10262	21.2
185.11838	7.6
191.05554	20.1
201.01712	12.1
304.19150	12.3
316.16476	100.0
340.05936	8.0
354.17142	59.2
355.12003	11.4
355.16080	17.2
355.24786	14.6
360.87744	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	353.2129
Annotation	Guayulin B
Peak:m/z	Relative Intensity
59.01255	0.5
61.30256	0.2
68.41677	0.2
71.29975	0.3
71.30299	0.2
71.60797	0.2
80.29299	0.2
83.59559	0.2
96.95895	0.3
107.04877	0.2
107.77528	0.2
128.13593	0.2
132.22165	0.2
147.08078	0.4
149.06021	4.9
150.06352	0.5
160.04962	0.2
163.11229	88.8
164.11574	5.0
173.04509	0.2
177.09167	68.2
178.09506	5.1
191.05583	0.2
193.02460	0.2
222.08972	0.8
315.16095	0.3
353.21280	100.0
354.21634	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	353.1249
Annotation	Unknow
Peak:m/z	Relative Intensity
58.17831	0.2
71.33891	0.4
108.02092	0.3
113.09019	0.2
122.03628	0.5
129.40114	0.2
147.04478	0.8
148.05232	0.9
149.06024	100.0
150.06358	3.5
254.52682	0.2
337.86368	0.2
353.12640	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01781	0.6
56.65955	0.5
57.03347	0.8
59.01265	100.0
60.01601	1.4
69.45426	3.8
71.01270	9.4
72.01622	0.6
73.02840	2.8
78.95793	11.9
78.96220	0.9
83.01278	1.3
85.02837	5.0
89.02341	1.7
95.01300	0.7
96.96872	1.0
99.00800	1.2
101.02345	4.3
113.02380	3.7
119.03364	0.6
147.04494	1.1
148.05246	1.4
149.06026	67.9
150.06369	4.1
152.99527	24.8
154.10669	0.5
161.02425	0.6
161.04510	5.4
171.00580	1.3
173.04536	0.8
187.89856	0.5
191.05591	10.9
191.07103	0.4
192.05899	0.8
221.06712	0.5
293.15863	0.8
311.11823	0.7
311.15103	2.6
353.13544	2.3
353.23468	0.6
366.01773	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1251
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19743	0.1
59.01030	0.1
59.01270	0.9
65.45735	0.1
69.82003	0.2
69.82412	0.2
71.01260	0.4
92.98365	0.1
93.03353	0.1
108.02069	0.3
110.54486	0.1
113.56345	0.1
122.03649	0.5
130.04143	0.1
131.04918	0.2
132.56998	0.1
134.00220	0.1
134.03540	0.1
143.03497	0.1
147.04463	1.1
148.05241	1.3
149.06021	100.0
150.06358	4.4
191.05589	0.2
191.07137	0.4
215.07103	0.1
293.10367	0.2
299.57089	0.1
311.11450	5.0
312.11816	0.5
333.40530	0.1
353.12628	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1248
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27286	0.1
59.01256	0.5
69.32360	0.4
69.32761	0.9
71.01265	0.3
90.99429	0.1
108.02060	0.3
114.59901	0.1
114.67577	0.1
122.03675	0.3
147.04428	0.8
148.05219	1.1
149.06018	100.0
150.06361	4.8
170.71693	0.1
191.07089	0.3
197.71732	0.1
206.70755	0.1
214.07417	0.1
217.30969	0.1
244.59776	0.1
271.72366	0.1
294.76147	0.2
311.11417	4.7
312.11743	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1095
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02025	0.7
57.03334	1.0
58.00468	1.3
59.01265	17.5
61.98357	0.7
67.01758	0.7
69.03343	0.8
69.67390	4.9
71.01270	14.8
72.99210	0.9
73.02831	13.9
77.41930	0.8
81.03346	1.9
83.01279	0.8
83.04910	4.0
85.02843	11.6
87.00765	3.5
89.02331	14.9
93.03359	39.1
94.03668	1.0
99.00783	4.2
99.04414	3.7
100.01694	0.8
101.02347	4.3
109.02850	1.9
111.04426	16.5
111.05151	1.4
111.18787	0.6
113.02357	4.4
119.03413	3.4
127.03970	1.6
129.01846	2.2
130.76277	0.7
131.03461	1.0
134.03667	2.0
135.04451	23.7
137.02359	12.2
143.03439	3.7
149.06056	1.2
155.03438	7.9
161.02370	2.1
161.04536	2.0
173.04506	77.8
174.04860	2.5
174.23334	0.8
179.03453	20.9
179.05411	4.8
180.03821	1.0
191.05579	100.0
192.05875	3.7
311.47629	0.8
315.11029	1.1
353.09003	5.5
353.10770	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	353.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19138	0.3
52.03756	0.3
59.01255	1.4
64.68690	0.4
69.27460	0.3
69.43227	1.0
69.43653	2.1
70.01545	0.3
70.76213	0.3
78.41728	0.3
84.28317	0.3
93.03351	0.9
119.04946	61.4
120.05299	2.3
121.33994	0.4
134.03627	0.6
135.04466	0.5
147.78273	0.4
149.06046	2.7
157.51663	0.4
163.03960	100.0
164.04285	5.0
177.49109	0.4
189.01645	0.5
189.05569	0.4
191.05585	3.0
199.01822	0.3
201.01698	0.6
309.24164	0.4
332.76996	0.3
353.10406	10.5
354.10822	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1098
Annotation	Unknow
Peak:m/z	Relative Intensity
55.31460	0.8
59.01270	14.2
59.98026	0.8
61.57851	0.8
71.01272	12.5
72.99203	1.0
73.02840	11.3
79.59615	0.8
81.03297	0.9
83.04922	4.3
85.02843	4.1
87.00780	1.9
89.02336	20.7
90.50774	0.9
93.02766	1.3
93.03362	27.3
94.03693	1.5
95.66202	0.8
97.81949	0.9
99.00777	4.5
99.04428	3.8
99.46065	0.9
101.02336	4.6
109.02796	1.0
111.04435	14.2
113.02365	5.6
119.03415	3.7
129.01868	0.9
135.04440	5.7
137.02382	10.0
143.03413	4.6
145.67618	1.0
149.04457	1.0
155.03436	8.3
161.04486	3.0
173.04518	100.0
174.04848	3.3
179.03497	5.7
179.05563	7.7
191.05594	19.9
210.12820	1.0
277.79364	0.9
353.11337	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	353.0886
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03330	0.5
59.01246	3.0
61.37672	0.5
61.98713	1.0
67.01769	2.2
69.03329	0.7
71.01270	2.5
71.36722	1.0
71.84368	0.5
72.99208	0.7
81.03376	0.9
83.01269	0.6
83.04913	1.2
85.02840	7.3
87.00773	1.5
93.03356	15.7
94.03716	0.7
96.61783	0.5
101.02277	0.5
109.02850	1.3
111.00800	0.5
111.04414	4.1
127.03954	2.3
133.02896	1.0
134.03667	1.6
135.04449	39.7
136.04770	1.8
137.02374	4.0
141.99002	0.7
149.05945	0.5
155.03461	4.0
161.02382	3.2
171.03035	0.5
173.04509	79.5
174.04852	3.0
179.03458	53.7
180.03773	3.3
191.05580	100.0
192.05930	3.7
215.40578	0.5
251.60242	0.6
293.16098	1.7
353.04623	0.9
353.08847	14.3
354.09244	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0885
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01261	0.3
65.03622	0.2
69.63792	0.8
69.64201	0.4
71.01266	0.2
80.49052	0.1
85.02836	1.8
87.00766	0.6
93.03349	0.6
109.02881	0.2
111.04397	0.4
118.52700	0.2
127.03900	0.5
135.04424	0.5
161.02385	1.1
171.03029	0.2
173.04501	0.6
177.11836	0.2
179.03389	1.0
191.05579	100.0
191.35939	0.2
192.05920	5.1
353.08783	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0887
Annotation	Chlorogenic Acid
Peak:m/z	Relative Intensity
53.18453	0.2
57.69203	0.2
59.01269	0.5
61.38488	0.2
67.01768	0.2
71.01254	0.3
71.11929	0.4
76.55298	0.2
77.70863	0.2
81.03336	0.3
81.51929	0.1
83.04911	0.2
85.02841	4.7
87.00761	0.8
93.02839	0.2
93.03367	1.8
99.04411	0.2
109.02850	0.3
111.04428	0.6
123.05965	0.2
127.03922	1.2
133.02869	0.3
135.04492	0.3
141.42451	0.2
146.43988	0.2
161.02397	2.2
171.02983	0.4
173.04495	0.7
179.03415	0.9
191.05586	100.0
192.05925	3.8
199.77148	0.2
233.63794	0.2
327.99561	0.2
353.08871	3.1
354.09137	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1304
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	1.5
58.00454	0.5
59.01265	14.2
60.01596	0.9
67.01768	0.8
68.99725	1.1
69.03349	0.6
69.89481	2.0
69.89908	1.0
71.00896	0.8
71.01270	12.7
71.37155	0.5
72.99201	4.1
73.02835	1.6
75.00761	13.2
78.09787	0.4
83.01254	0.8
83.04931	0.6
85.02847	15.3
87.00777	6.2
89.02345	4.2
93.03364	2.5
95.01297	3.9
99.00780	8.7
99.04441	0.6
101.02336	1.2
101.05984	100.0
102.06329	2.5
103.00262	1.7
105.03337	0.6
109.02889	1.1
111.00784	0.8
111.04436	0.7
113.02357	17.9
114.02692	0.8
115.00267	1.3
117.01830	2.3
123.04428	2.8
124.04742	0.5
125.56664	0.5
129.01900	1.2
133.02887	2.3
135.04465	1.1
149.02373	0.6
151.03983	2.5
153.66185	0.4
157.01311	0.8
161.02344	0.7
175.02429	1.7
177.01883	6.4
179.03471	0.6
191.05638	0.6
195.02982	1.8
205.06999	0.7
231.05128	2.0
249.06168	12.1
250.06458	0.7
264.62128	0.5
267.07101	1.2
268.58850	0.5
291.11267	0.6
315.10727	0.5
333.12122	2.6
351.13025	51.2
352.13440	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1375
Annotation	Unknow
Peak:m/z	Relative Intensity
54.89235	1.3
59.01258	4.0
62.57754	1.4
68.37318	1.4
69.35900	1.3
69.69920	9.5
78.33746	1.4
79.39867	1.2
85.11873	1.2
99.45425	1.3
102.50897	1.5
117.03376	8.0
119.04948	25.5
120.05272	1.5
121.02882	7.2
123.04374	2.6
135.22261	1.4
145.02892	22.4
162.03151	3.4
163.03954	26.4
238.89461	1.6
295.17563	1.4
313.11264	2.4
313.14557	23.9
314.14896	2.5
315.16083	100.0
316.16446	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	353.0886
Annotation	Chlorogenic Acid
Peak:m/z	Relative Intensity
53.44487	0.2
59.01258	1.4
61.67241	0.1
67.01772	0.5
69.03349	0.3
70.64349	0.6
70.80908	0.1
71.01263	0.9
73.02829	0.5
81.03358	0.2
83.04908	0.4
85.02842	7.4
86.03180	0.3
87.00771	1.5
89.02338	0.6
93.03362	3.6
99.00787	0.2
99.04427	0.5
100.77670	0.2
109.02854	0.7
110.80803	0.2
111.04427	1.7
113.02357	0.3
127.03930	1.7
127.67813	0.1
127.69008	0.1
133.02861	0.5
134.03720	0.2
135.04462	2.1
137.02382	0.5
143.03468	0.4
155.03413	0.3
161.02377	1.5
171.02960	0.5
173.04520	4.5
179.03453	1.9
179.05632	0.2
180.03860	0.2
185.17085	0.2
191.05588	100.0
192.05927	3.7
202.62314	0.2
230.59280	0.2
351.47021	0.2
353.08337	1.8
354.08969	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.0728
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	3.9
65.03865	0.6
65.27765	0.6
65.57657	0.6
67.01768	0.9
69.03326	1.3
71.01281	4.1
72.99212	0.9
73.02834	5.2
78.95803	0.9
81.03350	2.6
83.04912	2.4
84.02080	0.9
85.02847	2.6
89.02312	1.2
89.03857	1.2
90.02716	1.0
90.17766	0.6
93.03354	20.1
94.03712	1.2
95.04919	2.4
99.00771	1.2
99.04398	1.7
101.02362	1.3
101.05982	2.0
101.73700	0.6
105.03372	5.2
107.04922	7.7
108.02074	1.6
108.04475	0.8
109.02871	5.9
109.55843	0.6
111.04446	4.9
113.02373	1.3
119.03413	0.9
121.02875	4.8
122.03665	1.7
123.04438	54.1
124.04783	2.7
125.02365	1.5
125.79191	0.5
129.01813	0.6
133.02876	19.3
134.03313	0.8
135.04443	9.4
136.04865	0.8
137.02377	7.2
139.03966	2.3
141.00600	0.6
145.02902	0.6
149.02394	9.7
150.03046	2.6
151.03952	40.1
152.04359	1.2
153.01900	0.8
155.03421	3.5
159.34146	0.5
161.02399	3.2
161.04498	0.7
167.03430	1.3
173.04527	5.3
176.01099	0.7
177.01897	100.0
178.02219	5.3
179.03462	6.1
189.04033	1.1
195.02985	31.7
196.03328	1.8
199.41034	0.6
289.07208	1.1
289.11938	0.6
307.08456	0.7
307.13071	1.2
351.07306	22.1
351.12054	1.8
352.07654	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	349.1878
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01772	3.7
57.03335	5.2
58.00479	4.4
59.01266	100.0
60.01608	1.3
61.98716	1.7
68.84492	0.5
70.16485	1.2
70.16902	1.9
71.01271	92.8
71.04904	0.7
72.01610	1.4
72.36653	0.6
72.99202	6.7
73.02838	12.6
74.79842	0.6
75.00763	1.7
81.03361	0.7
83.01273	8.0
83.19400	0.6
84.02039	0.8
85.02847	30.7
86.03165	0.7
87.00775	3.8
87.04416	4.5
89.02340	54.8
90.02715	0.9
95.01286	6.8
97.02838	1.5
98.20510	0.7
99.00792	7.0
99.04418	0.7
101.02347	54.8
101.05949	0.7
102.02684	1.7
109.73730	0.6
113.02364	35.9
114.02706	1.1
119.03419	26.1
125.02341	1.1
126.71191	0.6
131.03416	2.4
143.03459	5.0
149.04523	1.0
159.02974	5.2
161.04506	30.6
162.04836	0.9
166.88803	0.6
178.04840	0.9
179.05576	3.5
185.11847	1.3
187.13390	18.5
188.13725	1.1
205.03464	1.2
217.40050	0.6
228.69633	0.7
229.14471	0.8
309.37292	0.7
349.18762	45.0
350.19037	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	349.1878
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31118	0.5
52.51990	0.5
55.01776	1.2
57.03325	1.3
58.00488	2.5
59.01267	100.0
60.01603	1.5
67.57709	0.5
69.03333	0.7
71.01270	46.1
71.58100	0.9
72.99199	4.0
73.02834	5.7
76.83053	0.5
77.90498	0.5
83.01273	3.2
83.04863	0.6
85.02843	11.7
85.86005	0.6
87.00786	2.1
87.04421	0.7
89.02341	39.9
93.03376	3.6
95.01294	3.6
97.02866	0.5
99.00791	2.0
101.02349	30.0
105.03389	0.5
105.97150	0.6
109.02834	0.7
113.02360	17.7
114.02678	0.8
119.03425	17.3
121.02881	4.2
123.00875	0.7
125.02355	0.9
131.03426	1.9
137.02374	1.4
139.03957	1.7
143.03412	4.1
147.00876	0.6
148.01610	0.6
149.02417	6.4
149.04497	1.5
151.03925	0.7
153.01837	0.6
155.03476	0.6
159.02922	1.6
161.04495	11.3
165.01817	1.0
166.34125	0.5
175.00375	1.1
176.01019	0.6
177.01920	1.5
179.05576	8.5
185.11848	0.5
187.13385	7.4
193.01389	1.6
205.03438	0.6
323.75641	0.6
349.05621	2.0
349.18753	17.1
350.06488	0.7
350.19150	1.6
366.69153	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71195	1.1
55.01772	1.9
57.03333	3.2
58.00479	3.0
59.01264	100.0
60.01604	1.5
64.74998	1.0
65.57413	0.9
71.01270	70.8
71.46457	1.2
71.46789	2.1
72.01608	1.2
72.99194	2.8
73.02846	7.3
83.01284	6.4
85.02852	19.1
87.00773	3.9
89.02337	53.5
95.01289	5.0
99.00784	2.9
101.02346	38.1
113.02352	23.6
116.72434	1.2
119.03415	23.8
129.20074	1.0
131.03435	2.5
143.03442	4.6
149.04494	2.1
159.02989	1.6
161.04504	14.1
179.05597	10.0
186.24791	1.0
187.13367	6.9
336.45151	1.3
349.18744	57.2
350.19073	7.3
355.58774	1.3
366.77396	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01769	2.2
57.03341	3.2
58.00484	3.5
59.01265	100.0
59.83254	0.3
60.01594	1.1
69.03341	0.7
69.86475	0.6
69.86893	1.2
71.01270	76.1
72.01601	1.2
72.99197	5.2
73.02834	6.9
75.00755	0.5
76.18643	0.3
81.03351	0.4
83.01279	5.2
84.02052	0.4
85.02846	19.1
87.00767	3.4
87.04413	1.1
89.02337	66.0
90.02686	1.0
91.83256	0.3
93.03365	0.5
95.01289	5.4
97.02853	0.4
99.00785	2.9
99.04440	0.5
101.02348	51.6
101.05976	0.4
102.02673	1.0
113.02355	30.6
113.64664	0.3
114.02697	0.8
114.61092	0.3
119.03418	30.8
120.03730	0.5
121.02871	0.4
125.02381	1.0
129.01897	0.6
131.02574	0.4
131.03439	3.6
143.03447	7.1
149.02350	0.9
149.04527	2.4
159.02960	2.0
161.04498	16.3
162.04825	0.5
162.09727	0.3
179.05573	12.8
180.05956	0.7
183.91405	0.3
185.11865	0.6
187.13367	10.1
188.13670	0.4
205.03534	0.7
247.11780	0.3
349.18738	26.1
350.19061	2.8
356.83206	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90383	0.3
59.01266	4.7
59.95238	0.4
71.01273	3.3
71.51526	0.8
73.02840	3.6
85.02850	1.2
87.04384	0.4
89.02362	0.7
95.04903	0.4
101.02344	0.9
105.03290	0.4
107.04916	1.0
109.02847	0.4
111.08078	0.8
113.02376	0.8
117.03390	1.5
119.03441	0.6
119.04906	0.8
121.02893	0.6
129.43327	0.3
132.02122	1.2
133.02884	33.7
134.03761	4.0
135.04448	89.3
136.04797	3.9
137.02368	2.0
137.04951	0.4
139.03935	0.5
141.09167	0.8
145.02895	0.7
149.25214	0.3
151.11224	0.4
161.02388	96.2
162.02740	5.3
163.02831	0.9
163.04070	0.7
178.02629	0.7
179.03468	27.6
180.03804	1.5
181.03833	0.5
187.13319	0.7
296.67505	0.4
349.16586	100.0
350.16934	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	349.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
57.74735	0.3
59.01270	1.5
69.93996	1.5
71.01276	1.7
73.02818	1.7
79.57733	0.3
85.02837	1.1
89.02360	0.5
93.03364	0.5
101.02335	0.4
107.04893	0.4
111.08053	1.6
117.03357	1.2
121.02891	0.5
132.02069	1.0
133.02879	33.0
134.02229	0.3
134.03622	4.1
135.04443	75.9
136.04779	3.5
137.02362	2.7
139.03949	0.7
141.09119	1.6
145.02869	0.6
161.02385	98.3
162.02734	5.3
163.03882	0.6
177.01973	0.4
178.02615	0.8
179.03455	21.2
180.03799	1.3
294.91476	0.3
323.90536	0.4
331.15353	0.6
349.16617	100.0
350.16965	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	349.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01772	3.5
57.03337	3.7
58.00476	4.7
59.01267	100.0
60.01617	0.8
67.53452	0.6
68.99715	0.7
69.03333	0.8
69.54964	1.4
69.55370	3.7
71.01272	98.2
72.01631	1.9
72.99200	4.7
73.02839	18.2
75.00792	1.2
83.01282	8.7
85.02845	26.8
85.58740	0.6
87.00779	4.9
89.02340	64.9
90.02673	1.1
95.01295	6.7
97.02885	1.7
99.00781	7.6
101.02350	73.5
102.02691	1.8
104.22183	0.6
107.01318	0.9
111.00741	0.6
113.02360	40.5
114.02709	1.2
119.03422	32.9
120.03769	0.9
125.02394	1.7
129.01866	1.1
131.03450	2.9
141.09135	1.9
143.03424	7.3
149.04529	3.2
151.00342	1.2
155.10808	0.6
159.02913	6.3
161.04506	40.5
162.04871	1.5
178.99762	1.0
179.05585	12.2
180.05989	0.8
187.13382	14.6
189.94444	0.7
206.94734	0.7
215.27913	0.7
257.69315	0.7
271.02582	2.3
275.43790	0.6
299.02045	1.5
300.02820	3.1
331.04736	2.6
349.18744	53.8
350.19080	5.5
372.87344	0.7
373.74673	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1219
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32018	1.0
59.01266	13.6
71.01258	3.2
71.58302	1.1
89.02330	1.6
101.02317	2.3
113.02373	1.5
117.03352	4.7
119.03505	1.3
119.04944	7.7
121.02853	3.1
123.04456	1.1
133.02834	2.0
137.09587	1.1
145.02885	38.9
161.02385	9.8
163.03987	2.4
170.73764	0.9
313.14529	100.0
314.14819	9.9
349.19171	2.1
371.27924	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1222
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	3.4
66.94431	0.4
69.93010	0.3
71.01260	1.3
73.02847	0.5
85.02872	0.5
89.02331	1.0
101.02348	0.8
105.87452	0.4
107.43888	0.3
115.15856	0.3
117.03359	0.4
119.03387	0.5
121.17758	0.5
133.02866	5.5
134.03677	3.1
135.04469	2.1
137.02373	2.7
139.03957	0.8
145.02864	1.2
161.02393	34.5
162.02757	2.0
178.02620	1.2
179.03445	2.6
202.96834	0.4
205.05045	1.1
213.79109	0.4
270.54593	0.4
313.14526	100.0
314.14850	14.0
336.26297	0.4
341.40125	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1218
Annotation	Unknow
Peak:m/z	Relative Intensity
58.19180	0.6
59.01259	3.4
71.01251	1.6
71.56915	1.0
78.63397	0.6
89.02337	1.5
101.02336	1.1
113.02358	0.9
117.03374	8.0
119.04940	9.8
121.02844	2.0
133.02904	0.9
145.02884	54.1
146.03197	2.8
163.03940	7.5
167.10672	0.8
195.90948	0.8
265.84747	0.7
267.07758	0.7
313.14520	100.0
314.14835	10.6
349.15997	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.0572
Annotation	Unknow
Peak:m/z	Relative Intensity
55.16980	1.0
59.01262	5.2
63.02269	7.1
65.00208	11.5
70.91748	2.8
71.01278	3.9
73.02824	1.1
83.01283	8.2
85.02838	1.5
86.10873	0.9
89.02347	2.2
93.80227	0.9
101.02347	3.0
107.01302	18.2
109.02843	6.4
111.00807	1.3
113.02378	1.5
119.01311	2.3
120.64529	0.9
121.02892	3.7
123.00813	1.0
123.04455	1.9
124.01583	2.6
125.02373	3.0
133.02902	2.9
135.00815	1.7
136.01585	11.4
143.04933	1.1
147.00822	8.9
148.01607	3.5
149.02409	1.1
151.00320	67.8
151.03989	1.9
152.01031	4.2
153.01889	1.2
161.02414	1.8
161.04475	1.5
163.00317	3.7
164.01054	1.8
167.03471	4.2
169.01419	5.2
171.04492	2.4
175.03931	1.9
178.99837	46.9
179.03397	2.4
180.00182	3.3
183.02840	1.3
183.04468	2.5
185.02536	1.0
187.00351	1.8
187.03999	4.3
190.99852	2.6
193.01537	1.2
195.02971	2.5
198.03171	1.3
199.03984	8.7
201.01941	4.3
203.03510	2.2
206.99394	1.4
211.03972	2.2
215.03511	2.5
226.02771	1.1
227.03525	9.2
231.03023	1.2
241.66792	1.3
243.03030	11.8
244.03485	2.2
245.04514	1.3
255.03091	7.3
256.03687	3.1
271.02548	87.8
272.03122	15.3
273.04019	5.7
287.05746	3.3
299.02042	71.1
300.02786	79.6
301.03470	22.2
302.03952	2.5
303.05185	1.3
309.17706	1.2
317.03058	1.3
331.04672	100.0
332.05020	9.8
349.05530	3.0
349.18732	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	348.037
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	2.9
60.59013	0.5
61.61639	0.5
61.98719	100.0
71.01298	0.8
71.57608	0.7
71.57986	0.6
89.02332	0.8
93.03363	0.7
98.22075	0.6
107.04919	0.6
109.06504	0.7
119.04901	1.2
123.08154	1.0
133.02884	7.8
133.08943	0.5
134.03384	1.7
135.04451	19.4
136.04784	6.5
137.02379	1.5
145.02911	2.4
146.03238	0.8
151.00328	0.6
161.02396	27.4
162.02721	8.8
163.02873	1.0
164.40901	0.5
167.10774	0.8
173.64104	0.5
179.03453	11.2
180.03812	4.3
206.73549	0.6
285.04126	9.8
286.04346	1.3
318.76248	0.7
347.15060	16.9
348.15417	30.2
349.16180	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	347.1719
Annotation	Schizonepetoside E
Peak:m/z	Relative Intensity
51.70405	0.7
54.78410	1.0
55.01771	2.9
57.03337	2.6
58.00471	2.3
59.01265	66.6
69.60036	2.4
69.60455	3.7
71.01270	82.5
72.01624	1.2
72.99198	4.9
73.02834	17.8
75.00755	1.1
83.01280	7.9
85.02843	24.5
87.00770	5.9
87.04411	36.1
89.02340	39.7
94.62543	0.7
95.01299	5.7
97.02852	2.5
99.00780	6.0
101.02348	59.1
102.02669	1.7
109.02857	1.6
113.02354	32.4
115.07581	0.8
118.83252	0.7
119.03418	18.4
123.04441	1.7
125.02381	2.8
127.07573	1.0
129.01845	1.1
131.03404	1.4
137.02426	1.5
137.05836	0.9
137.09593	0.9
138.54613	0.8
141.09131	5.0
143.03384	3.9
149.04442	2.0
149.09660	0.9
159.02975	5.3
161.02429	1.1
161.04510	25.9
167.10725	6.2
179.05626	3.5
185.11787	15.9
193.15430	0.9
245.13986	1.5
257.13983	1.1
289.07089	0.9
320.82233	0.8
347.17194	100.0
348.07602	1.1
348.17545	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1509
Annotation	Gibberellin A77
Peak:m/z	Relative Intensity
52.74590	0.7
59.01262	2.5
60.99190	0.7
61.33321	0.7
62.44360	0.8
65.00214	1.3
67.01775	1.1
69.03358	1.4
77.03855	1.4
81.03349	5.2
93.03357	3.3
95.01260	0.9
95.04897	1.8
105.03365	10.6
107.01298	5.1
107.04962	1.0
108.06993	0.8
117.03360	1.2
119.04939	2.4
121.02875	38.9
121.58030	0.7
122.03641	1.7
123.04427	3.5
125.02374	1.5
135.04449	1.3
137.05786	0.7
145.02870	3.7
149.02380	37.0
149.03574	1.8
150.02806	1.1
151.11227	5.3
153.12788	14.8
161.02347	1.5
163.03976	1.1
167.03407	1.5
171.13878	2.6
177.01842	1.1
197.11816	4.9
261.14935	2.3
276.51563	0.8
303.16086	100.0
304.16412	9.6
347.14966	8.6
347.18539	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1509
Annotation	Praealtin D
Peak:m/z	Relative Intensity
59.01274	1.2
71.01256	0.4
71.04906	0.3
71.06783	0.7
72.49777	0.3
75.13936	0.2
78.62074	0.2
81.03354	1.9
86.01546	0.2
89.14393	0.2
95.01323	0.3
97.47243	0.2
98.03653	0.3
98.58547	0.2
99.04417	4.0
101.02349	0.4
108.19450	0.2
113.02349	0.3
117.03397	0.3
121.02811	0.3
131.57349	0.2
132.02173	0.3
133.02885	18.4
134.03737	1.9
135.04454	16.5
136.04752	0.7
137.02370	2.4
139.03937	0.8
143.94775	0.3
149.09702	0.4
161.02393	86.4
162.02736	4.4
167.10744	1.1
178.02673	1.6
179.03455	7.6
180.03835	0.4
185.11797	0.8
225.14415	0.2
347.15067	100.0
348.15414	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	347.1718
Annotation	Schizonepetoside E
Peak:m/z	Relative Intensity
55.01764	1.6
57.03331	0.9
58.00481	4.9
59.01266	100.0
63.63711	0.9
69.23717	6.9
69.24131	4.2
71.01270	57.5
72.72422	1.0
72.99191	3.3
73.02834	3.6
80.73553	0.9
83.01275	3.5
85.02847	13.5
85.04200	0.8
87.00783	3.1
89.02338	51.2
90.02677	1.0
95.01286	4.7
97.02854	1.6
98.19732	2.1
99.00756	1.1
101.02351	29.6
102.64992	0.9
109.06525	1.1
113.02364	20.3
119.03426	22.5
130.66916	1.0
131.03452	2.0
143.03436	4.8
149.04579	1.8
161.04500	7.0
175.48232	0.8
179.05557	8.1
185.11839	5.0
347.17206	61.5
348.17422	5.6
356.46078	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01272	1.1
66.71830	0.3
70.49792	1.0
73.02829	0.5
73.27168	0.3
81.92513	0.3
82.58363	0.3
85.02853	1.4
89.02359	0.4
91.05447	0.4
91.85832	0.3
93.03378	0.5
96.90310	0.3
96.95901	1.8
97.06496	2.7
105.03374	0.9
106.04135	0.8
107.04951	3.5
109.02852	1.5
117.03384	3.7
119.04954	0.9
121.02862	1.4
123.04420	1.7
124.04766	0.5
132.02109	0.6
133.02882	18.1
134.03714	4.5
135.04449	40.3
136.04829	1.8
137.02365	3.2
139.03946	1.0
145.02890	0.9
149.02383	0.6
161.02394	55.5
162.02748	2.9
163.03963	0.8
177.01949	1.2
177.05394	0.4
178.02676	1.3
179.03467	23.4
180.03815	0.9
201.78656	0.3
286.45502	0.4
347.15060	100.0
348.15430	9.9
358.48547	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1508
Annotation	Scabrolide D
Peak:m/z	Relative Intensity
53.87418	0.2
57.03341	0.3
59.01263	0.9
61.22041	0.2
61.98729	0.2
70.91301	0.5
71.01274	0.5
74.18169	0.2
89.76255	0.2
93.03355	0.3
100.34356	0.2
101.05993	0.5
105.81106	0.2
106.04147	0.3
107.04938	0.6
109.02873	0.3
117.03375	0.3
119.04957	0.3
121.02885	0.6
126.27474	0.2
127.07652	0.2
132.02130	0.2
133.01865	0.3
133.02895	8.5
134.03679	6.5
135.04459	48.0
136.04778	1.6
137.02382	4.3
139.03951	1.4
145.02902	0.9
149.02411	0.2
150.03183	0.6
161.02400	21.8
162.02705	1.1
163.03946	0.5
178.02684	1.7
179.03465	35.3
180.03796	1.6
205.05081	0.8
285.04102	1.4
299.12836	0.4
329.13971	0.4
347.15070	100.0
347.58606	1.1
348.15414	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	347.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03338	0.3
59.01263	1.6
61.18213	0.2
61.98719	0.3
69.88279	0.6
69.88691	0.3
70.08635	0.2
71.01264	0.6
76.34000	0.2
79.05405	0.3
85.02848	1.0
89.02348	0.4
93.03347	0.3
95.04928	0.5
96.95892	0.2
97.06475	0.8
101.02332	0.4
101.06011	0.6
103.03860	0.4
107.04910	0.3
113.02357	0.3
113.06017	0.3
117.03376	21.3
118.03632	0.8
119.03518	0.2
119.04943	3.9
120.05241	0.2
121.02853	1.3
121.26836	0.1
123.04440	0.7
124.04825	0.2
133.02876	2.0
134.03629	0.6
135.04459	4.3
136.04758	0.2
137.02383	0.4
145.02887	100.0
145.06522	2.1
146.02058	0.3
146.03223	5.2
147.08051	0.2
149.02325	0.3
161.02388	5.3
161.04459	0.2
162.03001	0.4
163.03955	4.5
164.04343	0.3
165.09187	0.2
167.63853	0.2
179.03484	2.7
185.11743	0.2
189.05641	0.4
190.62857	0.2
329.14029	0.4
347.15051	83.7
348.15414	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	347.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01261	0.4
69.03335	0.1
70.44943	0.4
83.04893	0.2
84.54854	0.1
85.02843	2.2
93.03339	0.1
95.04902	0.2
97.06488	3.4
105.03352	0.1
106.04151	0.2
107.04928	0.4
109.02845	0.5
111.00776	0.2
113.02348	0.3
116.62633	0.1
117.03384	0.8
119.03554	0.1
119.04964	0.9
121.02885	0.6
123.08052	0.2
132.02077	0.3
133.02882	10.5
134.03685	5.3
135.04446	40.9
136.04781	1.7
137.02370	3.0
137.06015	0.4
139.03961	0.9
145.02881	1.0
149.02356	0.1
150.03152	0.4
157.17993	0.1
161.02388	41.7
162.02736	2.1
163.03934	0.9
163.11363	0.1
167.10666	0.2
177.05537	0.9
178.02670	1.5
179.03459	22.4
180.03784	1.0
181.05035	0.4
185.11806	0.1
202.24504	0.1
205.08559	0.1
231.06650	0.1
249.07779	0.2
260.65390	0.1
347.15054	100.0
348.15405	12.1
348.19916	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1508
Annotation	Praealtin D
Peak:m/z	Relative Intensity
52.97292	0.3
59.01268	2.6
69.58241	1.7
69.58652	0.6
71.01273	0.9
86.69413	0.3
93.03334	0.4
107.04990	0.3
109.02842	0.4
113.02401	0.4
116.19917	0.3
117.03349	0.5
121.02844	0.6
125.09639	0.5
129.89247	0.3
132.02069	0.4
133.02884	13.7
134.03745	2.0
135.04448	55.8
136.04781	2.2
137.02382	1.6
137.09628	0.4
139.03899	0.4
145.02885	1.4
147.88005	0.3
149.09656	0.4
160.70654	0.3
161.02388	63.7
162.02707	2.5
165.09142	0.3
178.02644	1.6
179.03456	6.5
185.11815	1.2
347.15057	100.0
348.15405	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	347.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83681	0.4
56.98466	0.3
57.03342	3.3
57.97781	0.3
59.01261	0.6
67.05430	0.5
68.62828	0.3
71.37975	0.6
82.06207	0.3
93.03369	0.4
107.04931	0.9
109.06492	2.5
111.04446	0.8
117.03385	1.2
117.65720	0.3
119.04942	0.8
127.07579	4.3
132.02095	0.7
133.02885	15.7
134.03720	4.5
135.04451	24.5
136.04793	1.1
137.02374	4.4
138.02782	0.4
139.03960	1.2
145.02911	1.4
148.05212	0.3
150.03218	0.4
161.02390	72.2
162.02757	3.2
178.02698	2.6
179.03459	18.4
180.03773	0.7
185.11815	4.5
194.78101	0.4
198.16341	0.3
347.15063	100.0
348.15402	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	347.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	0.6
59.01255	0.6
61.98722	1.7
69.43085	0.7
69.43488	2.2
71.01283	0.9
73.02837	11.1
83.04879	0.3
84.47366	0.4
89.85229	0.3
90.12596	0.3
94.98346	0.3
98.19830	0.7
107.04946	0.7
111.08050	1.0
117.03365	0.6
121.02914	0.5
132.02080	0.5
133.01855	0.5
133.02890	17.5
134.03716	3.4
135.04453	65.8
136.04774	3.6
137.02370	1.0
139.03923	0.3
145.02847	1.7
151.07564	0.3
161.02394	68.3
162.02713	3.0
164.47331	0.4
167.10754	0.4
178.02615	0.9
179.03465	45.8
180.03833	1.8
185.11833	3.1
200.22202	0.3
226.20749	0.3
276.49954	0.3
337.39871	0.4
347.15082	100.0
348.15433	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	347.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	1.0
61.08562	0.2
64.97447	0.2
69.03352	0.5
70.97995	0.4
70.98353	0.6
71.01269	0.5
95.04955	0.3
97.06496	0.9
101.02308	0.3
101.05968	1.5
106.04150	0.3
107.04947	0.5
113.40896	0.2
117.03347	0.6
119.04932	1.8
121.02858	0.8
123.04497	0.3
123.88146	0.3
125.09610	0.4
127.94493	0.2
132.02113	0.7
133.02881	17.4
134.03705	5.8
135.04449	54.4
136.04782	2.6
137.02374	5.0
139.03949	1.7
145.02895	1.2
149.02388	0.2
150.03120	0.6
151.07646	1.2
153.09158	2.8
155.10783	0.3
161.02391	73.2
162.02725	3.7
163.03954	2.6
165.09097	0.3
173.42809	0.3
178.02698	3.0
179.03462	25.2
180.03853	1.7
183.10252	0.9
185.11830	2.2
258.38278	0.3
303.15585	0.4
313.09634	0.3
347.15063	100.0
348.15424	12.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01282	0.7
67.29009	0.3
68.89201	0.3
70.05581	0.3
70.50387	0.9
71.04916	0.6
73.02869	0.4
76.98427	0.3
89.03848	0.4
89.91279	0.3
97.06481	0.9
98.19779	0.3
107.04994	0.3
117.03362	0.7
119.04951	0.8
120.93983	0.3
121.02879	0.6
132.02080	0.9
133.02882	26.0
134.03709	3.3
135.04459	11.0
136.04768	0.4
137.02380	3.3
139.03958	1.1
145.01784	0.3
145.02890	1.2
150.03157	0.6
161.02391	97.7
162.02733	5.2
163.04048	0.4
164.50731	0.4
177.01851	0.7
178.02718	1.3
179.03494	5.5
185.11815	0.4
205.84268	0.3
251.97757	0.4
303.15396	0.4
347.15054	100.0
348.15390	9.0
365.50189	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01277	0.5
68.59468	0.3
71.08430	0.6
75.89814	0.3
88.81710	0.3
96.67007	0.3
109.06490	0.6
121.02876	1.0
130.60406	0.3
132.02150	0.4
133.01859	0.6
133.02887	14.2
134.03714	4.1
135.04453	18.5
136.04765	0.8
137.02388	3.5
139.03934	1.0
145.02959	0.4
150.03169	0.6
161.02391	58.4
162.02742	3.0
178.02698	1.3
179.03461	12.8
180.03894	0.6
347.15067	100.0
348.15411	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	347.0991
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77502	1.0
53.88963	0.9
55.01774	1.2
55.98906	1.0
57.03321	3.1
59.01260	4.2
63.54742	1.1
69.37564	8.8
69.37981	2.3
71.01270	10.9
73.02837	20.1
81.03335	1.9
83.01289	2.5
83.04925	6.8
85.02850	5.6
86.72481	1.0
87.00782	1.5
93.03361	41.8
94.11536	1.2
99.00780	15.9
99.04408	4.5
101.02331	2.4
109.02890	1.8
111.00749	3.6
111.04444	16.8
112.98716	28.2
113.99014	1.5
124.98724	3.0
129.01855	4.0
133.28723	1.2
137.02377	16.1
142.99800	39.8
143.03415	4.2
145.01337	1.6
155.03485	9.7
173.00891	25.8
173.04512	100.0
174.04860	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	347.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03342	0.6
59.01266	1.6
60.80394	0.4
62.26468	0.4
66.66171	0.4
67.30346	0.4
70.77585	1.1
71.01260	0.9
73.02866	0.5
73.92737	0.4
85.02848	1.4
88.94061	0.4
94.46877	0.5
96.89196	0.4
97.06501	1.9
98.44895	0.4
101.02352	0.4
107.04965	1.0
117.03394	2.5
119.04945	4.8
120.90882	0.5
121.02805	1.2
132.02092	0.5
133.02895	11.2
134.03682	3.9
135.04451	43.1
136.04779	1.9
137.02393	3.3
137.06094	0.4
138.37143	0.5
139.03908	0.7
144.52097	0.4
145.02893	7.4
153.09177	0.9
161.02385	44.8
162.02748	2.1
163.03992	3.5
167.10785	0.5
178.02707	1.3
179.03464	29.7
180.03772	1.5
185.11794	1.7
186.12302	0.4
288.42487	0.4
347.15060	100.0
348.11090	0.6
348.15396	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	345.1848
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	26.3
59.95604	4.5
60.97943	5.1
62.17424	4.8
64.72952	5.4
71.01285	12.8
77.94085	5.0
93.03358	14.0
96.95953	5.7
98.20579	10.7
108.02084	15.9
117.03388	29.4
119.04942	39.5
121.02864	40.9
123.04462	15.2
133.02881	31.9
134.03645	9.3
135.04402	8.1
137.02412	12.1
139.03951	7.8
145.02896	99.1
146.03299	9.3
147.00830	16.5
148.03958	7.1
149.02368	12.2
161.02400	33.2
163.03944	22.5
165.01828	5.0
171.10246	15.2
177.01921	18.8
183.08046	5.6
183.10188	5.1
186.95622	7.1
193.05080	7.8
201.40627	5.8
209.36739	5.8
241.49370	5.8
248.96083	9.0
290.97202	21.9
291.19785	40.5
299.18777	4.9
309.20746	36.3
310.20932	5.6
316.90582	5.5
327.12506	28.6
330.14825	10.2
345.13406	100.0
345.17163	99.4
345.25372	12.7
346.13617	34.9
346.17780	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	345.1715
Annotation	Xerophilusin B
Peak:m/z	Relative Intensity
59.01258	2.4
61.83540	0.6
71.57825	1.3
93.03361	1.2
95.04938	1.0
96.95913	2.5
103.96603	0.6
105.03371	3.6
107.04981	0.8
116.91461	0.6
117.03369	2.4
119.04980	2.1
121.02873	2.7
123.04452	1.9
131.82504	0.7
132.02103	1.4
133.02882	49.0
134.03712	7.0
135.04436	2.5
135.41093	0.6
136.01622	1.0
137.02386	5.0
139.03937	2.5
139.70885	0.7
143.71648	0.6
145.02882	10.2
147.00835	1.2
148.01624	0.8
149.02390	4.6
149.06042	1.6
150.03085	1.2
151.03954	2.2
152.45680	0.6
153.05504	0.7
160.01627	2.5
161.02383	21.3
162.02821	1.0
163.04022	1.6
175.03972	2.8
177.01891	24.5
178.02670	6.6
179.03450	1.4
186.95580	1.0
193.05035	5.5
243.66951	0.6
248.96129	1.9
290.97189	2.9
299.13101	1.3
301.14474	3.3
310.46918	0.7
317.14151	0.8
330.14780	62.5
331.15082	6.3
345.13358	27.8
345.17151	100.0
346.13779	5.0
346.17520	10.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1715
Annotation	CHEBI:67672
Peak:m/z	Relative Intensity
51.40096	0.3
59.01286	0.3
69.74529	2.1
79.26471	0.3
83.58624	0.3
95.04959	0.5
95.05798	0.3
96.76458	0.3
96.95911	1.3
105.03381	2.9
113.05992	0.7
113.44215	0.3
117.03379	1.2
119.04932	1.6
121.02863	1.7
121.25420	0.3
123.04434	0.4
132.02097	0.7
133.02882	44.2
134.03719	7.8
135.04123	0.4
137.02356	2.4
145.02893	3.3
147.04459	0.9
148.87778	0.3
149.02402	0.8
149.06039	1.3
150.08159	0.3
151.03914	0.7
153.05528	0.5
153.78053	0.3
160.01619	3.6
161.02406	5.2
163.03998	0.5
165.00092	0.5
175.03990	3.5
177.01895	14.7
178.02654	4.4
193.05042	10.2
194.05399	0.5
275.10071	0.4
301.14545	3.8
302.14893	0.6
309.20789	1.7
330.14792	56.8
331.15121	6.3
345.13666	3.5
345.17145	100.0
346.13751	0.6
346.17474	11.1
352.84415	0.3
353.81305	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1714
Annotation	CHEBI:67672
Peak:m/z	Relative Intensity
51.96988	0.4
52.39365	0.5
58.33358	0.4
59.01260	1.6
61.98722	0.5
62.87283	0.4
64.89426	0.4
65.00198	0.4
71.01273	0.6
71.59283	0.7
73.23782	0.4
77.03867	0.4
83.04939	0.8
87.04393	0.6
87.89958	0.4
89.03902	0.4
93.03385	1.2
95.04936	1.1
96.95924	1.8
101.31580	0.4
104.82713	0.5
105.03362	4.2
107.04929	0.5
109.02879	0.7
117.03388	2.7
119.01311	0.5
119.04983	0.9
121.02830	2.5
123.04469	2.5
125.06004	1.6
132.02083	1.3
133.02884	57.1
134.03728	6.4
135.00722	0.4
135.04468	2.8
136.01611	0.8
137.02388	7.2
139.03949	1.9
145.02890	6.0
147.00856	1.5
147.04507	0.5
149.02374	3.5
149.06024	1.6
150.03224	0.9
151.03949	2.0
153.09128	0.5
160.01604	3.1
161.02393	29.8
162.02754	1.8
163.03946	0.7
165.01921	0.5
175.03970	3.1
177.01894	20.9
178.02663	7.5
179.03371	1.3
183.10301	0.7
186.95618	0.9
192.49229	0.4
193.05037	5.2
243.10240	0.7
248.96036	0.7
249.11296	0.5
251.54927	0.5
266.77905	0.5
290.97205	1.8
299.13455	0.7
301.14499	4.7
302.14890	0.5
303.03815	0.4
330.14792	66.5
331.15109	6.6
344.94550	0.7
345.13382	26.6
345.17172	100.0
346.13718	3.8
346.17517	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	345.1562
Annotation	(2E,6Z)-8-beta-D-glucopyranosyloxy-2,6-dimethyl-2,6-octadienoic acid
Peak:m/z	Relative Intensity
52.50326	2.1
55.01772	3.3
57.03326	4.6
57.48312	1.9
58.00475	3.8
59.01266	100.0
69.68388	3.0
71.01272	76.2
72.99193	5.4
73.02834	4.7
81.34907	2.2
83.01284	4.8
85.02845	15.9
87.00765	4.9
89.02342	76.8
95.01308	5.1
98.19851	5.0
101.02345	37.1
105.01811	4.7
113.02358	27.8
118.97985	2.7
119.03421	32.0
121.10098	3.7
131.03464	2.3
143.03467	5.3
149.04460	3.1
161.02444	2.5
161.04510	4.9
165.09157	74.6
166.09392	3.8
176.03467	2.6
179.05516	6.5
272.48398	2.0
345.15656	48.1
346.16016	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	345.1561
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	0.7
57.03328	1.7
58.00463	2.5
59.01263	60.1
60.01587	0.7
69.36895	0.6
71.01268	43.4
71.26711	1.2
71.27044	0.9
72.01613	0.9
72.99191	3.6
73.02824	4.8
75.73120	0.6
83.01276	3.1
85.02840	11.5
85.99989	1.4
87.00761	7.5
88.96342	0.7
89.02333	42.4
95.01290	3.2
97.02821	0.9
99.00772	1.6
101.02343	27.1
105.01875	0.7
111.00738	0.8
113.02356	21.7
119.02570	1.2
119.03406	16.5
123.08081	1.5
125.06027	1.0
131.03447	5.1
135.94601	0.6
143.03464	2.4
149.04530	1.0
150.92554	0.8
151.04062	0.7
159.02994	0.9
159.91147	0.8
161.04497	8.5
165.09152	67.0
166.09482	2.6
178.75475	0.6
179.05548	4.2
183.10320	3.2
184.02437	0.7
191.05603	1.1
221.06636	8.3
255.12466	1.8
345.15610	100.0
346.15933	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	345.135
Annotation	Unknow
Peak:m/z	Relative Intensity
56.84658	0.3
60.66268	0.2
69.03350	0.3
71.44642	0.5
79.01738	0.3
81.77546	0.2
85.02843	1.6
93.03401	0.3
97.06516	0.5
107.04939	0.3
111.08083	0.4
121.02889	0.6
132.02095	0.9
133.02882	18.9
134.03697	3.8
135.04457	13.2
136.04787	0.6
137.02383	4.6
139.03929	1.6
145.02882	0.3
150.03156	0.5
161.02396	89.3
162.02728	4.4
178.02692	3.8
179.03470	13.8
180.03799	0.6
183.10341	0.4
301.14404	0.5
345.13501	100.0
346.13846	12.1
346.18167	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1352
Annotation	Lepidine D
Peak:m/z	Relative Intensity
56.32726	0.2
56.37490	0.1
57.03336	8.6
57.54710	0.1
58.03709	0.2
59.01265	0.2
63.28372	0.2
65.78762	0.1
69.30425	0.5
69.30843	1.2
69.80157	0.1
71.04906	0.5
83.04916	3.8
95.04932	0.9
101.05988	0.4
105.03384	0.3
107.04945	0.4
107.69296	0.1
109.02799	0.2
111.08069	0.2
117.03387	0.5
121.02888	0.2
132.02119	0.7
133.02878	22.3
134.03748	1.9
135.04446	28.7
136.04771	1.3
137.02377	1.2
138.06793	1.1
139.03937	0.5
153.09138	3.6
153.10292	0.3
154.09528	0.3
161.02383	83.4
162.02728	4.3
163.03973	0.2
169.96777	0.2
178.02681	0.6
179.03455	31.9
180.02409	0.2
180.03806	1.9
193.33131	0.2
214.46494	0.2
315.12442	0.2
345.13492	100.0
346.13815	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	344.151
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01260	2.1
60.99194	26.3
66.67404	0.6
71.29773	1.3
76.24424	0.8
77.66489	0.7
109.71112	0.7
117.03365	1.6
118.02911	11.7
118.03702	0.6
121.02007	0.8
121.02865	1.7
122.03274	1.2
123.04446	1.0
123.08032	1.7
126.84036	0.7
133.02888	2.1
145.02902	2.9
151.11224	21.6
152.11595	1.3
153.12793	100.0
154.13144	6.1
157.41928	0.6
161.02406	2.7
162.03259	0.8
163.03894	1.1
164.03415	0.8
171.13864	24.3
172.14198	2.1
172.88150	0.7
190.01425	1.0
197.11813	95.2
198.12149	7.3
208.02422	0.7
220.07549	0.7
290.97192	1.7
298.98169	1.0
314.00226	2.0
328.48770	0.7
329.02695	1.6
344.05197	1.5
344.15204	14.1
345.13513	2.5
345.17062	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	345.1199
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70365	1.2
59.01266	93.7
68.58467	1.2
69.86691	1.1
70.55218	1.8
70.55550	2.7
71.01233	1.2
85.02864	1.3
101.02370	1.4
113.02348	3.7
123.04441	100.0
124.04779	3.5
139.04025	1.4
161.04529	7.9
174.03267	1.3
192.70032	1.3
285.09842	3.1
312.86874	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.135
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36037	0.3
58.86940	0.4
59.72476	0.3
70.88907	0.8
70.89249	0.6
71.04902	0.4
85.02788	0.4
93.03356	0.4
93.60497	0.4
95.04929	0.8
97.06538	0.5
99.17361	0.3
107.04949	0.4
109.02856	0.7
110.03649	0.4
117.03424	1.1
119.04950	1.0
121.02855	1.0
132.02113	0.9
133.02882	23.9
134.03697	7.6
135.04451	27.6
136.04770	1.1
137.01376	0.7
137.02364	7.0
137.09657	2.0
138.02791	0.4
139.03918	2.4
145.02861	1.9
148.05238	0.6
149.02461	0.5
150.03113	0.7
151.07602	0.5
153.09131	2.2
161.02386	89.1
162.02708	4.6
163.03960	1.1
165.09151	1.1
173.06023	0.4
175.07564	1.0
178.02676	3.8
179.03455	16.7
180.03801	1.2
183.10277	0.4
187.07587	0.7
199.09789	0.4
203.07101	1.8
203.10922	0.4
253.93185	0.4
263.88275	0.4
273.15121	0.6
275.85364	0.4
301.14517	16.5
302.14792	1.9
345.13492	100.0
346.13812	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	343.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01620	0.4
57.80387	0.5
69.78382	2.6
79.62047	0.4
113.09670	0.5
121.02910	0.5
121.10150	10.4
125.09663	1.1
127.11208	1.9
133.02820	0.7
137.09654	2.5
139.11227	3.0
145.02901	1.6
147.00821	1.1
153.09123	0.7
161.02357	2.3
163.04037	0.5
165.09212	0.8
167.10620	0.6
171.10229	65.0
172.10593	2.8
177.01813	0.8
177.12784	0.4
181.03613	0.4
209.01447	0.6
232.78380	0.4
268.01688	0.5
293.21271	1.1
294.21805	0.5
296.20129	0.5
297.97867	0.7
312.99988	1.3
314.52527	0.4
328.02194	1.1
328.52899	0.5
343.04813	1.0
343.11786	3.2
343.24963	100.0
344.12430	0.8
344.25348	10.6
356.10144	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2495
Annotation	Tianshic acid methylester
Peak:m/z	Relative Intensity
52.91411	0.6
53.33018	0.6
54.69353	0.6
57.03315	1.1
65.47302	0.6
69.03349	1.0
70.06059	3.3
70.46997	0.6
83.04903	0.9
92.61472	0.7
97.06531	0.9
99.08054	4.9
108.14685	0.7
113.09616	0.8
121.10161	6.4
125.09671	1.8
127.11271	1.5
133.51131	0.7
137.09634	2.2
139.11241	1.1
143.52911	0.7
149.13206	0.8
171.10231	38.1
172.10593	1.9
193.12306	11.4
211.13361	2.8
225.14984	14.4
243.16084	5.1
257.17810	0.7
293.21338	2.7
343.24960	100.0
344.25336	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	343.2495
Annotation	Tianshic acid methylester
Peak:m/z	Relative Intensity
51.19452	0.2
56.65092	0.2
57.03338	0.5
59.01271	1.9
59.69051	0.3
63.51354	0.2
69.03352	1.4
71.46204	0.5
83.04919	1.2
85.33598	0.3
97.06481	0.6
99.08061	6.0
116.20294	0.3
117.03393	0.5
119.04910	0.3
121.02922	0.6
121.10143	2.9
125.09644	1.3
127.11198	1.0
137.09639	1.1
139.11221	3.1
145.02852	1.0
145.03978	0.2
149.13251	0.6
151.11176	0.3
153.09177	0.4
156.75652	0.2
163.11098	0.3
165.12790	0.6
171.10233	23.4
172.10579	1.2
175.11194	0.5
193.12311	12.1
194.12573	0.8
197.15471	0.3
211.13348	3.1
221.60951	0.2
225.14966	14.5
226.15349	0.9
235.96873	0.3
243.16016	4.9
244.16330	0.5
269.98257	0.4
285.00439	0.3
293.21332	2.2
297.97604	1.1
311.22250	0.5
313.00110	1.3
325.23724	0.6
328.02249	1.1
343.04721	1.0
343.24954	100.0
344.15070	0.8
344.25323	10.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1409
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94222	0.3
57.03315	0.3
59.01273	1.6
60.63621	0.3
69.39079	2.8
71.01269	1.4
72.99213	0.3
73.01763	0.3
85.02814	0.3
87.00765	0.3
89.02359	0.6
89.94348	0.3
91.09193	0.3
92.79276	0.3
93.03335	0.3
99.00776	0.4
101.02361	0.5
105.65352	0.3
111.04431	0.4
113.02378	0.5
119.04925	0.6
121.02869	1.2
122.03659	6.0
124.01629	0.3
127.00303	0.7
127.03898	0.3
134.71864	0.5
135.04489	0.7
137.02377	1.6
137.06041	2.0
153.05290	0.3
153.09207	0.3
154.02701	0.7
156.10950	0.3
163.03970	0.5
163.07616	0.7
166.02623	0.3
181.08670	100.0
182.09013	5.5
191.11940	0.3
253.10411	0.3
297.97577	0.4
313.00000	1.4
328.02399	1.0
343.04596	0.9
343.10464	0.5
343.14047	2.6
344.14557	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1556
Annotation	CHEBI:68195
Peak:m/z	Relative Intensity
57.79730	0.4
59.01263	1.5
62.17714	0.4
71.58560	0.3
71.59011	0.7
89.02346	0.5
93.03410	0.4
117.03372	14.4
119.04935	3.9
121.02865	4.6
123.04437	1.0
133.02861	0.9
134.03680	0.7
145.02887	79.0
146.03239	3.1
162.03188	2.0
163.03958	1.8
168.44383	0.4
171.10207	1.0
195.81413	0.4
207.03026	0.5
269.98138	1.1
280.90109	0.6
285.00507	0.6
297.97601	3.1
299.16577	41.8
300.16904	4.3
311.48517	0.4
312.99976	4.4
314.00177	0.5
328.02319	4.0
329.02527	0.7
343.04645	3.1
343.15570	100.0
344.04767	0.6
344.15829	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	343.119
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	1.2
59.59312	0.3
59.76012	0.4
61.91198	0.3
61.98705	0.4
65.84882	0.3
93.03369	1.5
117.03376	0.8
119.04935	0.5
120.07162	0.4
121.02856	1.2
122.14133	0.4
123.04445	0.5
133.01842	0.7
133.02872	13.5
134.03531	0.3
135.04453	5.6
136.04697	0.4
137.02409	0.6
145.02905	3.7
161.02388	100.0
162.02733	3.7
163.03918	0.5
171.10071	0.4
177.05490	1.1
179.03575	0.8
205.05052	23.5
206.05429	1.1
213.41415	0.4
229.23280	0.4
230.62308	0.3
269.98199	1.1
285.00394	0.4
297.97589	1.4
299.12949	62.2
300.13272	5.4
303.29730	0.3
312.99973	1.8
326.50064	0.4
328.02441	1.6
328.54602	0.4
337.53531	0.3
343.04642	1.4
343.11932	32.6
343.25058	1.3
344.12109	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	343.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01273	0.9
62.17581	0.4
71.15621	0.9
84.02065	1.4
85.02402	0.4
93.03354	0.4
109.02894	2.9
109.06513	0.4
112.11104	0.4
117.03362	0.8
119.04938	2.6
121.02887	1.3
121.06543	0.7
123.04469	0.6
123.08057	0.4
132.02090	0.7
133.02882	25.1
134.03720	3.3
135.04457	4.9
135.08044	1.5
137.02364	5.1
137.09627	0.9
139.03966	0.5
139.07576	8.6
139.08629	0.4
145.02881	2.0
147.00766	0.4
149.02286	0.5
153.09117	2.1
161.02390	72.8
162.02731	2.7
163.03955	5.1
167.95213	0.4
171.10156	1.3
172.10529	1.0
173.02357	0.7
173.05916	0.4
174.03220	0.6
174.06816	0.6
175.03961	1.3
178.02675	1.7
179.03455	0.8
181.08739	0.6
190.02690	1.1
191.03470	3.3
202.06261	0.5
203.07039	1.0
219.02972	4.9
238.95181	0.4
241.08766	0.6
242.09496	0.7
257.11911	2.5
269.98050	0.9
271.13416	2.7
297.97720	0.8
299.12952	20.4
300.13394	1.7
312.99896	1.1
316.01257	0.4
328.02341	1.3
342.23694	1.3
343.11929	100.0
343.23666	3.0
344.08090	0.7
344.12216	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	341.234
Annotation	Unknow
Peak:m/z	Relative Intensity
55.82848	0.4
57.03334	0.5
59.01256	1.6
59.61786	0.4
60.63715	0.5
65.56112	0.4
69.03339	2.1
71.01255	0.5
71.36761	0.6
83.04921	0.8
84.02061	3.5
97.02864	1.0
97.06499	10.4
97.59328	0.4
99.04414	1.0
100.82360	0.4
111.08047	0.5
117.60987	0.4
121.50055	0.4
125.09634	1.9
137.09633	1.1
137.48175	0.4
149.13382	0.5
152.92929	0.5
165.12788	0.5
171.10229	12.6
172.10606	0.8
175.11243	1.1
177.12886	0.5
184.42717	0.5
185.11789	0.4
193.12315	15.4
194.12543	0.7
197.15500	0.6
211.13383	2.9
221.11871	1.2
225.14963	20.3
226.15366	1.0
238.11971	0.5
243.16063	8.2
244.16417	0.5
250.42288	0.4
253.14435	1.1
291.19714	0.7
313.93744	0.5
341.23395	100.0
342.23761	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	341.1248
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03335	26.6
58.03677	0.5
59.01264	2.1
61.98711	0.5
65.69157	0.2
68.43509	0.2
69.66869	0.6
69.67295	0.8
71.01266	1.3
73.02837	0.3
75.90417	0.2
77.66930	0.2
85.02839	0.5
87.00748	0.3
89.02331	0.9
93.03352	1.2
98.19794	0.3
101.02319	0.9
109.02864	2.1
113.02335	0.5
119.03391	0.3
121.02868	26.3
122.03194	0.7
127.00262	0.4
135.04436	0.5
137.02370	0.6
153.14610	0.2
155.15178	0.2
161.02374	0.8
168.31622	0.2
179.07092	100.0
180.07440	4.9
203.28384	0.2
224.31619	0.2
235.50487	0.2
299.11206	0.2
341.08728	0.3
341.12479	3.7
342.12637	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1397
Annotation	Wulignan A2
Peak:m/z	Relative Intensity
59.01267	2.3
62.38829	0.5
62.58810	0.5
67.16458	0.5
69.87406	2.4
71.01272	1.2
89.02356	1.0
113.02303	0.7
119.03400	0.6
121.42294	0.5
135.04472	1.0
139.28305	0.5
145.02934	2.9
161.02325	0.9
163.03989	0.5
164.04747	14.1
164.06139	0.9
165.05122	0.6
179.03590	0.7
179.07098	17.4
180.05980	0.6
180.07455	0.9
196.05247	1.2
222.07022	1.2
223.07855	0.7
224.04752	5.3
224.08363	1.1
225.05153	0.6
225.09305	1.4
227.10751	1.5
237.05722	0.9
238.06348	6.7
239.07137	1.0
239.10814	1.6
241.08835	3.8
251.07315	1.1
252.04303	1.6
253.08812	1.0
254.09512	1.7
255.10303	8.0
265.08688	0.8
266.05963	4.5
266.08862	0.7
267.06866	0.8
267.10315	2.2
269.11954	3.1
270.05441	1.3
270.12686	2.5
280.07239	0.8
281.08154	0.6
282.09045	1.8
283.09821	38.5
284.10214	3.0
294.09100	1.5
295.09750	4.0
296.10483	3.3
297.11240	2.1
298.12146	4.7
309.11444	2.5
310.08539	1.8
310.12140	2.7
311.09335	81.4
312.09668	7.8
325.10907	11.5
326.11646	63.1
327.12082	6.3
332.79300	0.5
341.14017	100.0
342.10403	1.1
342.14331	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	341.1249
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	5.5
62.74839	0.3
63.46370	0.2
71.01273	4.0
71.58755	0.4
72.99224	0.4
73.02841	1.6
73.38415	0.2
81.03345	0.5
83.01298	0.7
85.02847	0.8
87.00761	0.4
89.02333	2.4
93.03351	1.0
96.96897	0.3
101.02335	2.0
106.04156	3.5
107.01291	0.4
107.04951	1.6
108.02065	1.1
113.02354	1.3
119.03410	1.1
119.04942	7.4
121.02957	0.2
133.02788	0.3
135.04433	2.0
137.06013	100.0
138.03117	0.3
138.06360	4.4
142.58388	0.3
151.00345	1.4
151.01384	0.2
161.02396	1.3
161.04482	0.8
164.04753	0.3
164.47148	0.2
166.83118	0.3
179.03438	1.4
179.05548	0.6
179.07027	0.6
185.12056	0.3
191.89810	0.3
237.76019	0.2
245.85220	0.2
251.05695	0.4
281.10382	0.6
299.11371	0.8
334.08649	0.2
341.05176	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1249
Annotation	Myzodendrone
Peak:m/z	Relative Intensity
53.67445	0.2
53.72263	0.2
55.96688	0.2
57.03336	24.1
58.03676	0.4
58.21549	0.2
59.01260	2.9
63.02281	0.4
65.00218	0.5
71.01269	2.7
71.57715	0.4
72.99194	0.3
73.02839	1.0
83.01281	1.0
85.02876	0.4
89.02319	1.7
93.03367	1.0
100.73055	0.3
101.02353	1.9
107.01287	0.7
109.02847	2.0
113.02374	1.2
119.03406	1.0
119.04916	0.9
121.02874	24.0
122.03242	0.7
125.02381	0.5
135.04430	0.8
140.46442	0.2
151.00336	3.2
161.02397	0.4
161.04594	0.4
161.06030	0.8
169.01427	0.5
179.07101	100.0
180.07448	5.1
287.80774	0.3
290.95026	0.3
299.11438	0.7
341.05270	3.0
341.12427	3.9
342.05777	0.4
342.12943	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1249
Annotation	Myzodendrone
Peak:m/z	Relative Intensity
57.03337	13.4
58.00479	2.4
59.01265	100.0
60.01603	1.1
61.98722	1.0
69.49667	5.5
71.01270	49.8
72.99207	2.9
73.02837	36.8
83.01277	12.2
85.02850	7.0
87.00798	3.2
89.02341	35.2
89.02900	1.5
95.01306	2.7
99.00760	0.9
101.02346	54.8
102.02708	1.1
109.02872	2.0
113.02353	19.2
119.02580	1.4
119.03447	25.1
119.04941	47.2
120.03777	0.8
120.05286	1.9
121.02877	11.6
123.04453	0.8
123.25656	0.6
123.43965	0.7
125.02383	1.4
131.03467	3.0
133.02856	0.7
134.03635	0.9
135.04451	43.4
136.04829	2.0
137.02393	4.5
137.05960	3.7
143.03488	3.5
149.04489	1.7
161.02448	4.2
161.04507	6.9
177.01973	0.7
179.01848	1.8
179.03477	48.9
179.05557	5.8
179.07069	48.9
180.03828	2.3
180.07481	2.1
190.02711	0.7
191.05614	0.9
217.01520	0.7
281.10333	8.3
299.11450	29.6
300.11856	2.2
341.09171	4.4
341.12570	2.6
342.09360	1.0
345.67123	0.8
354.53537	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.125
Annotation	Myzodendrone
Peak:m/z	Relative Intensity
56.79798	0.3
59.01267	1.4
71.01273	0.6
71.12202	0.6
72.75599	0.3
77.15776	0.3
81.48228	0.3
81.55980	0.3
89.02369	0.8
89.35545	0.3
101.02355	0.5
103.17082	0.3
109.02861	1.2
113.02354	0.5
123.04419	1.1
135.04510	0.4
137.02405	0.9
151.04045	0.3
161.02391	0.6
163.03970	2.3
164.04739	94.4
165.05075	4.6
177.01895	1.1
179.07098	100.0
180.07442	5.4
189.01880	2.3
190.02643	0.9
191.03389	0.5
216.00568	0.4
217.01372	0.8
219.02939	0.5
242.09558	0.5
279.50937	0.3
283.09723	0.4
298.08475	0.3
311.09180	1.1
326.07846	0.5
326.11618	0.6
326.66534	0.3
341.06631	3.6
341.10556	1.9
341.13776	1.6
342.06873	0.5
345.14191	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1097
Annotation	Trehalose
Peak:m/z	Relative Intensity
55.01767	2.4
57.03331	1.7
58.00465	4.4
59.01265	100.0
70.58843	6.4
71.01273	72.7
72.99188	3.7
73.02831	3.8
80.54340	1.5
82.53506	1.4
83.01286	3.6
84.76241	1.5
85.02428	1.6
85.02848	11.0
87.00772	6.0
89.02341	96.4
95.01279	3.6
98.20473	1.7
101.02351	31.2
106.85590	1.7
113.02359	29.4
113.03093	3.0
119.03420	31.3
131.03427	6.9
133.02876	4.1
134.03737	2.1
135.04445	14.0
136.04857	2.1
137.06030	5.6
143.03455	8.4
149.04501	62.1
150.04825	3.1
161.02431	16.0
161.04457	10.9
177.25958	1.6
179.03456	3.1
179.05580	40.3
179.07149	2.2
191.05577	24.3
203.03564	2.2
341.10999	51.8
342.11267	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	341.1036
Annotation	Methylophiopogonanone A
Peak:m/z	Relative Intensity
55.13982	0.2
59.01272	3.5
60.02256	0.2
60.39249	0.2
65.03875	0.2
69.69202	1.4
69.69615	0.5
71.01266	2.8
78.48969	0.3
85.02871	0.4
89.02338	2.8
89.03867	0.5
91.05424	0.9
93.03373	0.4
98.19800	0.4
101.02335	1.3
106.04147	0.7
107.04932	2.9
113.02354	1.3
117.03362	2.2
119.03454	1.1
119.04907	1.1
121.02916	0.4
123.04399	0.3
133.02893	2.8
134.03668	15.6
135.04448	85.6
136.04778	4.0
137.02388	1.6
139.03929	0.8
143.03448	0.3
145.02876	1.4
150.03120	0.4
151.03865	0.2
161.02408	0.4
161.04512	0.5
163.03993	1.0
164.04684	0.4
171.10292	0.4
178.02588	0.3
179.03461	100.0
180.03798	5.9
212.73860	0.2
235.62221	0.2
264.40109	0.2
281.12665	0.3
341.10733	2.0
341.14169	0.4
341.23352	0.5
342.29001	0.2
352.89465	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.103
Annotation	Luzonidial B
Peak:m/z	Relative Intensity
50.69524	0.5
52.14831	0.5
53.48418	0.5
57.79867	0.5
57.90242	0.5
59.01263	10.6
69.26564	6.2
71.01264	6.6
85.02830	0.8
89.02336	8.9
93.03368	1.6
94.31531	0.5
94.87811	0.5
95.01294	0.6
101.02348	3.8
107.19228	0.5
107.38860	0.6
113.02343	2.7
117.03371	4.2
118.03754	0.6
119.03481	3.0
119.04944	100.0
120.05297	4.6
121.02853	1.1
122.03647	0.7
131.03491	0.7
132.05811	0.8
133.02841	0.5
135.04437	0.7
138.54178	0.6
143.03368	0.8
145.02895	10.4
147.04445	0.5
149.02214	0.5
150.03215	1.2
159.14192	0.5
160.05307	1.0
161.02432	0.9
161.04494	1.0
162.03140	1.0
163.03964	71.3
164.04298	4.5
175.03970	1.3
179.05597	2.9
179.07133	1.7
184.49068	0.6
216.56308	0.5
238.06287	0.8
239.07185	2.4
252.07896	1.2
253.08589	1.0
263.07162	0.8
264.07910	0.7
281.08426	0.7
281.12393	0.9
297.11465	2.7
326.08121	1.0
333.84622	0.7
341.10562	13.1
341.17395	0.6
341.23779	0.8
342.10956	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	341.0884
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	3.6
59.64212	0.2
70.61887	0.5
70.62254	0.5
71.01270	1.8
72.99225	0.3
73.02828	0.6
85.02849	0.6
89.02338	1.5
101.02345	1.5
107.04918	0.5
113.02359	0.5
119.03432	1.0
119.04964	0.8
133.01953	0.2
133.02876	0.8
134.03661	1.8
135.04446	66.2
136.04773	2.7
137.02368	0.4
137.05972	1.7
161.02386	3.4
161.04396	0.4
170.65881	0.3
173.15216	0.3
174.46423	0.3
177.05554	0.9
178.02690	0.5
179.03459	100.0
180.03815	4.0
221.04555	2.0
251.05641	2.1
281.06750	3.1
299.11328	1.0
306.80939	0.3
341.08823	15.3
342.09076	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0885
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03337	27.5
59.01269	4.8
59.78688	0.4
61.98722	2.4
66.99534	0.4
70.70228	1.2
71.01265	3.5
72.99201	0.6
73.02832	0.9
75.00738	0.8
85.02853	1.2
86.07094	0.5
89.02327	2.7
93.03362	1.2
101.02345	1.8
107.04909	1.3
109.02858	2.9
113.02406	1.4
119.03436	1.2
119.04942	1.6
121.02871	25.1
122.03205	1.1
133.02856	1.3
134.03659	1.7
135.04446	79.8
136.04784	3.0
146.90788	0.4
161.02405	4.1
178.02768	0.7
179.03479	78.1
179.07088	100.0
180.03806	4.1
180.07462	4.9
332.47043	0.4
341.08942	12.8
341.12506	4.5
342.09195	1.0
356.81982	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0886
Annotation	Caffeic acid 3-glucoside
Peak:m/z	Relative Intensity
59.01260	7.8
64.17973	0.9
71.01273	10.0
71.56190	1.2
73.02830	1.5
75.00764	2.0
85.02856	2.4
87.00783	1.3
89.02332	3.2
93.03351	2.0
99.00726	1.2
101.02341	5.5
107.04937	43.6
113.02356	2.9
116.00326	1.0
118.94193	1.0
119.03412	2.6
119.04907	4.1
121.02823	2.3
133.02888	1.6
134.03676	5.0
134.28555	1.1
135.04451	100.0
136.04807	3.5
161.04485	3.4
172.78284	1.0
179.03447	6.9
179.05548	4.8
179.06947	1.5
280.96033	1.1
341.08508	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	340.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01267	34.8
70.21952	12.1
71.01274	23.3
72.99200	3.2
87.00719	3.3
89.02341	24.2
101.02340	8.9
113.02329	9.5
119.03416	11.8
119.04920	4.0
125.09627	6.2
142.30746	2.7
155.21980	2.5
161.04541	4.5
163.03926	3.8
164.04712	4.6
167.10658	7.9
170.57722	2.3
171.10222	7.3
179.05565	12.3
179.07098	10.7
185.11763	4.3
219.94264	2.7
236.85419	2.6
293.21295	100.0
294.21570	9.9
294.72342	2.6
341.10876	19.7
341.17630	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	341.0885
Annotation	Unknow
Peak:m/z	Relative Intensity
58.74845	0.8
59.00998	1.0
59.01265	14.3
62.51232	1.1
70.89035	2.1
71.01266	8.8
73.02824	2.1
85.02833	1.7
89.02334	6.7
91.74325	0.8
101.02322	4.5
107.04913	1.4
113.02354	2.4
119.03413	2.6
119.04908	2.4
127.03060	0.8
133.02885	8.6
134.03665	4.1
135.04449	97.6
136.04745	3.6
137.02399	1.4
137.06013	11.7
143.03444	0.9
148.05254	2.2
149.06055	7.5
161.02385	34.1
177.05531	13.5
179.03461	100.0
180.03745	4.6
203.03502	1.6
208.10504	0.9
221.04559	17.6
222.04845	0.9
251.05678	20.5
252.06023	1.3
281.03647	1.8
281.06735	35.8
282.07025	2.3
287.24518	0.9
299.11182	1.1
319.18372	0.9
341.08731	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	341.0885
Annotation	1-Caffeoyl-beta-D-glucose
Peak:m/z	Relative Intensity
54.71416	0.4
59.00990	0.6
59.01267	6.6
60.18554	0.4
71.01276	3.7
78.40427	0.4
85.02837	0.7
89.02333	2.5
99.08188	0.4
101.02353	1.5
109.02789	0.5
113.02373	0.9
119.03401	0.8
131.63673	0.4
132.02089	1.2
133.02878	21.7
135.04453	11.7
136.04742	0.7
137.06017	1.0
149.06004	0.8
161.02390	100.0
162.02725	5.1
167.39415	0.4
168.78337	0.4
174.06705	0.4
177.01949	0.5
177.05504	1.3
179.03471	21.9
180.03828	1.1
203.03542	2.5
203.05092	0.4
221.04478	1.8
243.74718	0.5
251.05630	2.7
281.06723	2.1
285.33224	0.5
341.08804	14.7
342.09146	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94975	0.4
54.20905	0.4
59.01263	3.7
61.98717	100.0
70.16914	1.3
71.01263	2.1
85.02840	0.6
89.02333	3.1
101.02345	1.0
113.02359	1.1
117.03375	0.4
119.03461	1.0
119.04936	3.2
134.03641	0.6
135.04413	2.5
160.68179	0.5
161.02376	0.5
163.03922	2.7
164.04836	0.4
171.10237	0.5
179.03471	1.0
179.05574	0.9
179.07013	0.5
273.48743	0.4
277.14563	6.2
278.15042	0.5
308.52011	0.4
341.10779	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	340.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01751	0.7
50.50932	0.9
57.03317	2.2
59.00998	0.8
59.01263	10.3
69.26352	0.8
71.01263	5.7
71.59227	1.1
80.84843	0.8
81.02098	3.8
82.02862	1.8
84.29799	0.7
84.83370	0.9
85.02842	1.6
89.02319	5.4
94.02877	14.3
94.06541	1.6
95.04932	1.5
96.00793	1.6
96.04440	2.0
96.08108	2.4
97.01579	2.6
97.06482	5.8
101.02334	2.8
107.03671	17.4
107.08580	0.9
109.06530	1.6
113.02348	1.6
117.03350	1.7
119.03461	1.2
119.04985	1.2
121.05278	1.5
121.06399	0.7
122.06013	2.4
123.08083	6.0
125.09642	37.9
125.89880	0.9
127.11170	1.2
128.20357	0.8
134.02220	0.8
134.09705	4.0
136.11249	2.1
140.07095	1.6
140.10736	3.2
143.03421	1.1
145.02888	3.2
150.09181	53.1
151.09499	3.3
152.10742	8.6
153.11021	0.8
161.02411	1.8
161.04553	0.8
163.03984	1.0
163.11116	1.2
164.04767	1.3
166.08618	1.4
168.10245	3.2
171.10220	100.0
172.10556	3.9
178.12343	1.4
179.05629	2.9
179.07103	1.6
199.09856	0.8
201.11270	1.2
202.12337	2.6
213.11284	3.6
224.12836	1.3
225.11273	1.4
245.09081	0.9
260.20245	6.2
286.18182	5.2
304.19232	18.9
305.19574	1.9
322.20145	2.6
336.88596	0.9
340.21417	3.3
341.10895	4.8
341.17645	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	339.2335
Annotation	Dimethisterone
Peak:m/z	Relative Intensity
53.50518	0.5
61.05972	0.5
70.03498	2.9
93.82899	0.6
132.62016	0.5
160.95827	0.6
163.11230	100.0
164.11523	3.8
205.09921	0.5
339.23352	36.9
340.23648	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	340.0468
Annotation	7-Methoxyaristolochic acid II
Peak:m/z	Relative Intensity
55.99817	0.6
59.01260	2.7
60.39693	0.6
63.02282	4.1
65.00212	4.7
65.99744	0.7
71.01268	1.1
81.03384	0.7
83.01282	4.9
85.02869	0.7
89.02325	0.8
98.20539	1.8
107.01290	9.6
108.02174	1.1
109.02891	0.8
118.97976	1.0
123.00717	0.8
124.01574	1.1
125.02385	4.6
130.02905	0.7
133.02898	2.8
135.00861	0.8
145.02982	0.7
148.01608	3.2
151.00308	17.8
158.02466	0.8
160.03966	3.4
161.02385	5.7
163.00328	2.5
164.01082	2.7
164.04733	1.9
169.01396	2.6
171.04489	0.7
175.03955	1.2
176.01266	1.1
177.01927	1.5
178.99847	7.1
179.07062	1.8
183.04510	1.1
186.01903	6.4
186.03217	0.8
187.00334	0.8
187.04053	0.9
188.03465	0.9
189.01923	0.8
190.02676	0.9
196.01965	2.8
199.03996	0.9
210.01900	0.7
211.02557	1.0
212.03526	7.4
213.05580	0.8
214.01447	41.4
215.01741	2.6
215.03590	2.2
216.04250	0.9
227.03508	3.9
228.03996	0.9
231.01605	1.0
236.03587	1.8
239.03687	1.6
241.05019	1.9
243.02998	5.1
251.03549	1.0
254.04591	3.2
255.02991	7.4
255.05165	0.9
256.03616	0.9
256.94397	0.8
257.04584	1.2
267.02969	2.0
269.04611	2.0
271.02539	16.7
272.03137	2.7
278.04755	1.3
283.02686	1.8
285.04099	11.9
286.04434	1.2
294.04074	1.8
295.02533	3.6
296.05765	1.4
299.01944	1.7
300.02817	100.0
301.03122	9.1
313.03534	9.3
314.03983	1.5
321.99814	1.3
322.03629	22.0
323.03867	2.5
340.04663	35.6
341.05060	3.2
341.10980	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.0728
Annotation	AESCULIN
Peak:m/z	Relative Intensity
57.01764	0.5
57.94756	0.5
59.01260	2.5
59.66439	0.5
61.10625	0.6
69.41873	1.5
69.42296	3.3
88.14513	0.5
89.03844	1.2
95.04987	0.8
97.04505	0.5
98.19807	1.1
105.03375	2.7
133.02896	7.8
135.04463	2.8
145.34227	0.6
149.02368	1.2
160.01297	0.5
177.01895	100.0
178.02229	4.6
214.53909	0.6
266.01920	0.5
339.07294	1.7
339.15543	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.0881
Annotation	Paxanthone
Peak:m/z	Relative Intensity
52.27456	0.6
59.01267	7.9
64.70967	0.6
70.16017	2.1
71.01275	1.8
93.03374	3.8
106.04153	3.1
108.02193	0.8
109.02850	1.0
110.00034	0.7
111.00771	2.6
121.02875	8.3
121.13096	0.7
125.33585	0.7
133.01862	1.5
133.02884	41.8
134.03671	62.9
135.04042	2.6
137.02380	61.6
138.02705	1.9
139.03940	20.1
147.04430	1.8
149.02377	2.3
150.03156	6.7
161.02417	4.0
163.11215	0.7
165.01897	2.2
178.02684	51.0
179.03101	2.6
183.01161	3.0
186.77327	0.8
197.71420	0.6
255.06639	2.7
279.11081	0.9
295.09772	7.0
296.10226	0.8
339.08810	100.0
339.16364	5.8
339.32751	0.9
340.09155	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	337.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	0.1
59.01264	1.7
69.29342	0.1
69.29744	0.5
70.00331	0.0
71.01270	1.2
73.02834	2.9
83.01279	0.3
85.02829	0.3
87.00774	0.1
91.05448	0.2
95.04926	0.2
97.02878	0.1
99.00792	0.5
100.39480	0.0
100.49884	0.0
101.02367	0.6
105.07008	0.2
106.04173	0.7
107.04915	0.1
108.02074	0.1
113.02335	0.1
123.04448	0.9
130.04187	0.1
131.04961	1.3
132.05753	2.6
133.06517	100.0
134.06847	5.0
138.03221	0.1
143.03378	0.1
161.04485	1.4
193.94485	0.1
203.05515	0.1
217.08640	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	338.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01803	1.8
57.03351	1.9
59.01266	14.1
61.98717	3.7
66.03382	4.4
69.03349	2.8
71.01261	2.8
71.37631	2.2
81.02112	1.6
94.02876	6.2
94.06522	17.0
95.33074	1.4
96.00818	4.3
97.01607	3.1
97.02852	1.4
97.06500	4.9
105.06998	7.3
107.03680	25.7
116.04991	1.7
120.04523	2.8
121.01210	1.4
122.09701	2.8
123.03153	2.4
123.08092	4.2
125.09641	23.0
127.11237	2.1
132.04486	3.0
132.08112	6.5
134.09731	2.6
138.09203	5.7
148.07622	57.1
149.07985	3.6
150.09190	26.5
153.28343	1.4
158.06079	1.5
166.08685	9.6
171.10226	100.0
172.10562	4.6
176.10721	1.7
185.11844	1.8
185.83490	1.4
201.11287	3.3
202.12354	2.1
202.27600	1.5
213.11328	2.1
228.13922	1.6
234.72173	1.5
251.11633	2.5
258.18619	7.1
279.10693	1.6
284.16638	18.5
302.17670	31.4
303.18091	2.5
338.20029	2.6
339.50961	1.6
350.84137	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	335.0781
Annotation	5-O-Caffeoylshikimic acid
Peak:m/z	Relative Intensity
54.22351	0.5
54.62762	0.5
64.93514	0.5
69.57184	2.2
69.57613	2.2
73.02836	1.1
73.07417	0.6
78.38470	0.6
83.04912	1.2
93.03363	8.5
102.26069	0.5
107.04924	0.7
111.04433	2.8
111.82993	0.6
121.33704	0.5
122.16486	0.5
130.63889	0.6
133.02892	3.5
134.03674	2.0
135.04453	71.4
136.04800	3.2
137.02371	4.2
155.03435	1.9
161.02397	22.2
162.02701	1.3
173.04544	1.5
179.03467	100.0
180.03824	6.0
241.76228	0.5
250.04265	0.6
267.02057	0.6
277.44080	0.6
335.07822	39.0
336.08112	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	337.0937
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	0.2
59.00996	0.2
59.01266	2.7
60.99187	0.2
65.18905	0.1
67.01777	0.6
69.03333	0.3
69.64825	0.1
71.01279	1.2
71.57632	0.2
72.99210	0.2
73.02818	0.3
73.28953	0.1
81.03345	0.4
83.01289	0.3
83.04929	0.4
85.02847	7.1
85.03360	0.4
87.00780	2.1
89.02332	0.6
93.02771	0.2
93.03361	4.9
94.03693	0.2
95.01289	0.2
99.00771	0.2
99.04409	0.4
101.02357	0.5
109.02862	0.7
111.00803	0.7
111.04440	1.4
113.02302	0.4
115.03909	0.2
119.03452	0.3
119.04933	1.8
120.05283	0.1
125.02352	0.1
127.03938	2.2
134.78299	0.2
143.03484	0.3
145.02863	0.9
155.03430	0.2
161.02402	0.2
163.03963	1.7
171.02963	0.7
173.00877	0.2
173.04500	1.8
179.03352	0.2
191.05588	100.0
192.05934	3.6
248.51776	0.2
329.56525	0.2
337.09384	2.4
337.15164	1.1
338.09528	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0938
Annotation	4-p-Coumaroylquinic acid
Peak:m/z	Relative Intensity
52.35524	0.2
57.03323	0.2
59.01268	1.3
67.01778	0.7
68.41564	0.2
70.23023	0.7
70.23412	0.4
71.01266	0.9
74.44355	0.2
81.03361	0.3
83.04906	0.3
85.02846	6.7
87.00776	2.2
93.03360	4.3
97.74504	0.2
99.04431	0.3
109.02859	0.7
111.04443	1.3
119.04945	1.8
123.97440	0.2
127.03928	1.7
145.02913	1.0
163.03976	1.7
171.02924	0.5
173.04488	2.0
191.05583	100.0
192.05927	3.9
219.65208	0.2
337.09366	3.8
338.09555	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.109
Annotation	Unknow
Peak:m/z	Relative Intensity
55.76766	0.5
56.17740	0.6
59.01267	4.4
64.62759	0.6
65.67635	0.5
71.01257	0.8
73.02843	0.6
93.20010	0.5
95.01293	0.7
131.64143	0.5
133.06526	9.2
134.06808	0.6
142.79495	0.5
145.02859	1.3
157.02922	0.9
159.18163	0.5
160.01646	1.2
161.02304	1.0
162.03156	1.9
169.02893	0.6
169.06514	0.7
170.03778	0.9
173.04588	0.7
174.27873	0.5
175.03954	0.9
177.05554	3.7
179.08606	1.3
181.06618	0.7
195.08182	2.6
196.63783	0.5
206.07306	2.1
207.08148	4.9
209.06030	1.2
217.06648	1.4
218.07565	0.7
221.06169	0.6
222.06863	1.3
223.07599	4.6
233.06157	2.0
234.06860	3.8
235.03946	1.3
235.07654	13.1
236.04617	1.0
236.08070	1.2
237.05573	3.1
246.07071	0.7
249.05652	0.6
250.06355	2.1
251.07178	11.6
252.07466	0.9
261.05658	2.0
262.06482	2.7
262.08951	0.5
263.07199	7.0
264.07666	1.1
266.09540	4.8
267.10104	0.7
277.09314	1.0
277.89880	0.6
278.05951	3.3
279.06683	78.3
280.07031	7.6
289.05219	1.2
290.05948	2.7
291.06699	36.5
292.07355	10.9
293.08188	2.9
294.08975	9.9
296.31299	0.6
304.85794	0.6
305.08304	5.2
306.09024	29.4
306.63644	0.6
307.06195	100.0
307.09503	6.5
308.06516	8.6
308.09998	0.8
321.07758	14.8
322.08530	50.7
323.08884	5.4
337.10883	70.8
338.11230	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	335.0779
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26468	0.3
56.19365	0.3
65.03823	0.3
69.25805	2.3
69.26231	1.0
71.01275	0.3
73.02825	1.7
75.93031	0.2
76.88883	0.2
81.03349	0.8
83.04924	1.7
85.02850	0.5
91.05427	0.5
93.03352	12.4
94.03703	0.8
96.79405	0.3
99.00758	0.5
99.04433	0.4
107.04940	1.8
111.04409	2.2
117.03385	0.8
132.02092	0.5
133.02879	9.8
134.03673	6.5
135.04443	100.0
136.04793	4.7
137.02370	3.8
151.76929	0.3
155.03458	0.8
161.02385	16.4
162.02725	0.7
173.04512	0.8
179.03450	30.1
180.03792	1.8
335.07791	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	333.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14006	0.4
54.06297	0.4
55.28497	0.4
57.16542	0.3
58.00450	0.4
59.01257	1.6
69.91527	2.0
71.01265	1.0
73.02838	4.0
85.02843	0.5
87.04414	0.4
93.03372	0.5
111.08060	1.2
117.03382	30.4
118.03703	1.1
119.04947	94.6
120.05281	3.2
121.02863	1.8
123.04419	0.6
133.02902	2.0
134.03267	1.4
135.04434	0.6
136.04796	0.5
137.04996	0.6
139.11250	0.5
141.09164	0.6
145.02890	100.0
146.03230	5.4
151.11179	0.9
151.80750	0.4
155.10692	0.5
161.02385	6.5
162.02745	6.4
163.02911	3.3
163.03989	36.1
164.04285	1.5
165.05629	0.4
179.03548	0.4
180.03384	0.4
187.13290	0.7
251.39114	0.4
269.20071	0.5
333.16943	91.3
334.17383	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	333.1926
Annotation	Sachaloside VI
Peak:m/z	Relative Intensity
54.35167	0.6
55.01772	1.3
57.03337	6.0
58.00484	6.6
59.01265	100.0
60.01593	0.6
65.00230	0.9
69.03345	3.9
69.23636	5.1
69.24064	2.6
71.01273	29.7
71.04899	1.5
72.99200	6.7
73.02835	19.4
81.03364	1.8
81.06983	3.2
83.01280	2.4
83.04918	1.4
85.02845	22.0
86.76620	0.7
87.00732	0.8
87.04404	5.5
89.02335	25.2
91.94951	0.6
92.71118	0.6
95.01283	1.2
99.00770	1.6
99.04430	2.7
101.02351	22.9
101.05987	1.5
102.02749	0.6
103.03918	23.9
107.01293	1.8
109.02876	4.9
111.00797	0.8
111.08090	1.1
113.02364	0.7
115.07556	1.2
119.03425	11.2
122.66911	0.7
123.00827	1.4
125.02331	1.5
127.03902	3.8
133.02930	3.1
135.04449	1.0
135.57895	0.6
137.02333	1.0
139.00316	1.5
141.01862	2.6
145.04991	2.8
151.00301	3.4
152.01028	0.8
153.01837	1.7
153.09108	0.7
161.02406	1.4
161.04489	2.5
163.00336	1.7
163.06071	9.5
165.01900	0.8
166.99774	0.9
168.00638	1.1
169.01360	1.5
171.04422	0.7
177.01852	0.7
178.99844	3.0
185.11823	4.3
187.03999	0.8
187.13367	43.2
188.13716	2.0
197.00729	0.6
203.03459	0.8
206.99297	0.7
208.00041	0.9
215.03308	0.8
222.98709	1.0
271.02576	1.0
287.01862	1.4
289.11887	0.9
300.02853	0.7
315.01550	1.3
333.02475	1.7
333.19254	77.3
333.58929	1.3
334.02924	0.7
334.19586	7.2
346.32755	0.7
349.47635	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57461	0.4
55.22341	0.4
59.01263	0.9
59.79095	0.4
59.86110	0.4
65.47512	0.4
70.49806	1.0
70.50208	0.8
71.01260	0.6
72.02032	0.5
73.02830	1.9
73.53474	0.4
85.02835	0.6
93.03363	0.6
111.08071	1.1
117.03378	30.0
118.03709	1.7
119.04946	74.2
120.05274	3.2
121.02885	1.4
121.91914	0.4
123.04410	0.5
133.02858	0.6
134.03635	0.5
135.04437	0.4
141.09152	1.9
145.02888	100.0
146.03223	5.5
147.03505	1.1
151.11182	0.7
161.02425	1.0
162.02832	0.9
163.03960	30.2
164.04338	1.5
187.73282	0.4
247.36577	0.4
263.94678	0.5
315.16245	0.8
333.17081	67.4
334.17441	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	333.0259
Annotation	3,5,6,7,2',3',4'-Heptahydroxyflavone
Peak:m/z	Relative Intensity
57.03350	7.7
58.27287	3.5
59.01263	47.2
59.37808	3.5
63.02274	13.5
65.00224	21.3
65.46000	3.2
67.01773	7.4
68.99743	4.8
69.03329	5.8
71.01267	33.9
71.57985	6.5
72.99199	5.0
73.02840	25.4
79.01814	3.5
81.03380	5.6
83.01263	26.8
84.02054	3.9
85.02843	13.4
87.00800	6.4
89.02331	13.7
91.01790	5.7
92.58672	3.6
95.01283	23.5
96.99244	3.3
97.02856	8.3
99.00790	30.1
101.02354	23.5
105.74606	3.0
107.01291	49.7
108.99305	4.1
109.02855	78.8
109.99967	4.5
111.00801	34.3
113.02346	8.8
117.03397	5.0
119.03422	7.9
119.04942	5.1
121.02931	4.3
123.00809	39.2
123.04441	5.1
124.01579	13.6
124.98717	4.2
125.02368	55.9
133.02913	47.8
135.00830	19.4
135.04401	5.8
136.98747	9.5
137.02362	21.9
139.00293	48.9
140.00974	5.7
141.01868	69.8
143.04956	7.2
145.02936	7.0
147.00841	9.4
147.04456	6.8
148.01608	3.9
149.02344	15.5
149.99513	6.5
151.00313	92.9
152.01112	22.4
153.01860	46.8
161.02376	11.4
161.04520	28.8
163.00348	38.7
164.00993	6.4
165.01860	13.6
165.99031	4.7
166.99829	38.4
168.00623	22.9
169.01399	46.7
171.04309	8.0
173.02423	6.2
173.06038	3.7
174.03288	5.0
175.03925	19.0
177.01851	12.4
178.99818	100.0
179.03429	5.4
180.00160	5.5
181.01477	4.8
187.03949	12.7
187.13365	11.0
189.01913	10.9
190.99832	34.1
191.03453	6.5
192.00290	4.6
193.01370	12.8
194.99358	35.9
197.00859	13.3
199.04005	10.3
201.01848	4.4
203.03485	11.0
204.97778	7.7
205.01390	14.3
205.98450	7.8
206.99333	60.7
208.00061	11.2
209.00963	22.8
213.01874	4.2
215.03482	13.1
217.05048	9.8
222.98853	51.4
223.99619	18.9
226.02745	4.1
227.03487	7.1
229.01328	4.6
230.02028	4.0
231.03020	4.4
233.00941	9.2
233.04556	13.5
243.02965	25.4
245.04488	7.4
247.02589	6.6
259.02484	8.7
261.04074	9.9
271.02618	35.6
272.03033	10.9
287.02020	27.3
288.02393	7.1
289.03540	9.3
299.02100	10.7
300.02792	13.2
305.03174	13.2
315.01517	55.9
316.01883	10.6
323.57455	8.5
333.02551	81.4
333.06183	6.2
333.19244	58.4
334.03165	10.2
343.32318	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	333.11
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01268	8.9
66.07716	0.9
66.54619	0.7
71.01260	4.6
71.05057	1.7
73.02837	4.5
73.03196	0.8
78.03395	1.4
80.04948	1.0
85.02824	1.2
86.59322	0.8
89.02337	2.0
92.04960	2.2
94.06541	6.0
101.02348	4.0
104.04971	2.8
105.03333	1.6
106.02826	0.8
106.06529	12.7
108.04499	1.4
119.03445	1.4
120.04480	5.3
121.05255	1.8
122.06033	14.6
122.06871	1.1
123.03185	1.5
132.04477	8.8
138.05537	22.5
139.05904	0.8
142.75006	1.0
148.03989	1.3
150.05528	1.7
152.07088	0.9
161.02380	1.4
161.04478	4.3
162.04825	0.9
163.04939	1.4
173.81422	0.9
187.13391	1.5
189.07956	1.0
215.11917	1.3
217.07419	2.4
226.07578	0.9
231.08911	1.2
241.09882	2.6
243.11298	1.2
271.11008	1.0
289.12003	100.0
290.12381	7.8
313.47470	0.7
326.18423	0.8
333.10974	9.2
333.15445	1.5
333.19110	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	333.11
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41434	0.4
61.33527	0.4
69.39864	0.4
71.01227	0.5
74.21156	0.5
75.78319	0.4
78.03365	0.9
92.04947	2.4
94.06524	5.0
95.04909	0.4
104.04965	3.6
105.03361	3.8
106.06528	15.3
107.03642	0.8
107.06857	0.7
108.04475	2.6
120.03677	0.7
120.04459	5.8
121.05230	1.4
122.02393	0.6
122.06038	19.3
123.03160	2.8
123.06342	0.7
124.07584	0.9
131.03661	1.0
132.04469	10.3
133.02856	0.7
135.03210	0.6
135.04410	0.5
138.05531	29.4
139.05864	1.3
139.39235	0.4
148.04002	1.0
149.06068	0.8
150.03108	0.7
150.05511	3.6
151.05878	0.5
161.02393	1.1
166.05061	0.6
173.08400	0.5
174.12935	1.0
178.43384	0.5
189.07890	1.1
203.09584	0.6
213.06612	0.6
215.11920	1.7
217.07394	1.5
218.11845	0.5
218.37399	0.4
221.71974	0.4
226.07433	0.9
228.08926	0.6
229.09763	0.7
231.09018	0.7
231.11331	1.1
241.06041	0.5
241.09911	2.6
242.10410	0.5
243.11473	2.3
259.11014	0.7
271.10880	0.9
289.12000	100.0
290.12332	9.6
309.60904	0.5
333.11020	9.1
333.58759	2.4
334.11423	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1771
Annotation	Rosiridin
Peak:m/z	Relative Intensity
55.01768	6.4
57.03337	6.2
58.00473	3.4
59.01265	60.7
61.65786	0.5
69.03323	0.8
69.36791	0.6
71.01270	100.0
71.58396	1.1
72.01607	1.5
72.99206	3.3
73.02837	34.2
75.00764	2.1
83.01277	15.6
85.02843	43.8
86.03176	1.4
87.00774	5.6
89.02338	22.3
95.01282	6.7
97.02847	2.8
99.00789	12.7
101.02346	92.1
102.02681	2.4
106.79888	0.6
107.01314	0.6
109.86723	0.5
111.00781	1.4
113.02358	42.4
114.02677	1.2
119.03425	5.2
119.04910	0.8
125.02338	2.7
129.01866	2.2
131.03416	0.8
141.45326	0.6
143.03436	5.4
145.02940	0.9
149.04445	0.6
151.00307	1.1
152.01088	0.7
159.02931	10.3
161.04501	59.7
162.04834	1.5
163.04001	0.6
169.12306	2.6
178.99757	1.0
179.05566	1.5
199.04210	0.6
205.03522	1.6
223.52441	0.5
254.83203	0.6
259.02695	0.6
271.02536	2.2
285.07874	1.6
299.02014	0.7
300.02759	1.0
300.10205	0.8
303.05328	1.5
331.04752	2.9
331.17764	62.5
332.18127	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	331.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44286	0.4
51.23769	0.4
55.01764	4.1
57.03333	4.5
58.00481	2.6
59.01265	66.6
60.01602	0.9
63.02279	2.9
65.00203	4.6
65.36762	0.5
69.03323	1.2
71.01271	93.9
71.59123	0.7
72.01608	1.4
72.99193	5.5
73.02835	56.0
74.03184	0.7
75.00770	1.6
81.03328	0.8
83.01275	14.4
84.01602	0.5
84.02074	0.7
85.02843	29.8
86.03217	0.5
87.00774	7.7
89.02337	35.1
90.02713	0.6
93.03381	1.1
95.01298	5.9
97.02837	2.4
99.00785	9.4
101.02347	77.4
101.83530	0.5
101.96685	0.5
102.02675	1.2
107.01295	7.6
107.04958	1.2
107.08601	0.5
109.02856	1.5
111.00782	1.5
113.02356	29.0
114.02699	0.6
117.03385	0.8
119.01320	0.9
119.03422	21.4
119.04919	2.5
120.03774	0.8
121.02901	1.4
123.00795	0.6
123.04439	1.7
124.01559	1.3
125.02350	2.9
129.01823	1.1
131.03419	1.2
133.02873	6.0
134.03680	1.2
135.00793	0.7
135.04446	10.5
135.05440	0.7
136.01573	4.6
138.46352	0.5
139.00342	0.7
142.02679	0.6
143.03453	4.0
145.02930	4.1
147.00824	2.1
147.04460	2.1
148.01656	1.2
149.02383	0.6
149.04558	0.9
149.06046	0.6
150.03226	0.7
151.00316	23.7
152.00899	1.9
159.02946	5.0
161.02545	10.0
161.04501	100.0
162.04851	4.2
163.00262	1.0
163.03967	1.8
167.03482	1.1
169.01326	2.5
169.12346	1.1
171.04454	1.5
175.03935	2.6
176.01727	0.8
177.01860	0.8
178.99838	13.5
179.03447	8.7
179.05574	2.0
180.00111	0.8
180.07906	0.8
183.04514	1.5
187.04039	0.9
189.37906	0.6
193.01389	0.9
195.03021	1.0
198.03101	0.5
199.03961	4.6
201.01978	2.1
203.03479	3.0
205.03580	2.1
211.04031	0.6
215.03479	0.9
226.02625	1.0
227.03487	3.3
231.03024	1.1
243.03032	4.9
255.03062	2.4
256.03683	0.6
259.07288	0.7
271.02539	33.2
272.03094	5.3
273.03931	0.9
275.85910	0.6
287.05670	0.6
299.02026	21.8
300.02771	25.5
301.03445	7.6
311.09702	3.5
331.04666	12.1
331.17853	67.6
331.59781	1.7
332.05066	1.4
332.10092	13.3
332.18216	6.8
341.59824	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.177
Annotation	Unknow
Peak:m/z	Relative Intensity
54.85680	0.3
55.01768	3.2
57.03345	2.6
58.00488	3.8
59.01264	69.5
60.01600	1.1
69.03348	0.8
71.01270	64.6
71.57890	0.5
72.01605	1.1
72.02034	0.3
72.99196	5.7
73.02837	65.5
74.03185	0.8
75.00743	0.4
82.10045	0.4
83.01279	6.8
85.02847	16.6
86.03182	0.5
87.00771	8.4
89.02341	29.0
90.02702	0.4
95.01281	3.2
97.02850	2.1
99.00784	3.8
101.02347	58.0
102.02689	1.1
107.01273	1.0
111.00820	0.7
113.02362	13.5
117.01835	0.4
117.03403	0.5
119.03423	22.1
119.04929	1.6
120.03741	0.6
125.02362	1.2
131.03445	1.5
133.02888	1.0
134.03656	0.4
135.04434	2.4
136.01570	0.5
143.03441	2.8
145.02858	1.9
147.04468	0.7
149.04509	0.9
151.00325	1.3
159.02965	1.2
161.02335	2.8
161.04503	100.0
162.04840	3.6
163.03981	1.1
169.01402	0.6
175.04034	1.2
178.99895	1.0
179.03482	1.7
179.05548	1.7
203.03516	1.4
205.03596	0.4
227.03596	0.4
270.01956	0.4
271.02530	2.1
272.03329	0.4
299.02124	1.2
300.02740	1.7
330.60220	0.8
331.17770	81.7
332.10080	2.6
332.18179	8.3
354.64774	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01774	3.6
57.03313	2.1
58.00473	4.1
59.01266	70.9
65.99718	2.7
67.68050	0.6
69.03331	1.2
71.01273	52.8
72.99215	4.1
73.02838	72.1
74.03155	0.9
75.81637	0.6
83.01289	6.7
85.02848	10.7
87.00777	7.2
89.02339	23.3
90.85670	0.7
95.01286	1.7
95.70833	0.6
97.02828	1.4
99.00768	2.8
101.02353	51.0
102.02667	1.4
107.01214	1.0
111.00728	0.6
113.02366	9.5
119.03421	21.2
119.04904	2.3
123.00937	0.7
125.02365	2.3
129.62448	0.7
130.79181	0.6
130.91608	0.6
131.03439	1.3
133.02858	2.7
134.52481	0.6
135.04468	6.1
136.61281	0.6
137.02322	0.6
143.03455	2.4
145.02908	3.8
147.04454	1.3
151.00325	2.8
153.01901	0.8
159.02922	1.0
161.02585	6.2
161.04507	100.0
162.04898	3.1
163.03940	1.5
165.60947	0.7
175.03949	1.1
177.05496	1.3
178.99812	1.6
179.03490	3.8
179.05586	1.1
181.10982	0.5
195.59317	0.6
201.99265	0.6
203.03566	1.2
221.04539	0.8
229.95091	1.1
257.57117	0.8
271.02609	1.9
281.06647	1.4
299.02115	1.5
300.02545	1.2
311.09775	2.4
330.60422	1.3
331.04614	1.8
331.17801	79.8
331.59662	1.3
332.10287	4.2
332.18201	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44286	0.4
51.23769	0.4
55.01764	4.1
57.03333	4.5
58.00481	2.6
59.01265	66.6
60.01602	0.9
63.02279	2.9
65.00203	4.6
65.36762	0.5
69.03323	1.2
71.01271	93.9
71.59123	0.7
72.01608	1.4
72.99193	5.5
73.02835	56.0
74.03184	0.7
75.00770	1.6
81.03328	0.8
83.01275	14.4
84.01602	0.5
84.02074	0.7
85.02843	29.8
86.03217	0.5
87.00774	7.7
89.02337	35.1
90.02713	0.6
93.03381	1.1
95.01298	5.9
97.02837	2.4
99.00785	9.4
101.02347	77.4
101.83530	0.5
101.96685	0.5
102.02675	1.2
107.01295	7.6
107.04958	1.2
107.08601	0.5
109.02856	1.5
111.00782	1.5
113.02356	29.0
114.02699	0.6
117.03385	0.8
119.01320	0.9
119.03422	21.4
119.04919	2.5
120.03774	0.8
121.02901	1.4
123.00795	0.6
123.04439	1.7
124.01559	1.3
125.02350	2.9
129.01823	1.1
131.03419	1.2
133.02873	6.0
134.03680	1.2
135.00793	0.7
135.04446	10.5
135.05440	0.7
136.01573	4.6
138.46352	0.5
139.00342	0.7
142.02679	0.6
143.03453	4.0
145.02930	4.1
147.00824	2.1
147.04460	2.1
148.01656	1.2
149.02383	0.6
149.04558	0.9
149.06046	0.6
150.03226	0.7
151.00316	23.7
152.00899	1.9
159.02946	5.0
161.02545	10.0
161.04501	100.0
162.04851	4.2
163.00262	1.0
163.03967	1.8
167.03482	1.1
169.01326	2.5
169.12346	1.1
171.04454	1.5
175.03935	2.6
176.01727	0.8
177.01860	0.8
178.99838	13.5
179.03447	8.7
179.05574	2.0
180.00111	0.8
180.07906	0.8
183.04514	1.5
187.04039	0.9
189.37906	0.6
193.01389	0.9
195.03021	1.0
198.03101	0.5
199.03961	4.6
201.01978	2.1
203.03479	3.0
205.03580	2.1
211.04031	0.6
215.03479	0.9
226.02625	1.0
227.03487	3.3
231.03024	1.1
243.03032	4.9
255.03062	2.4
256.03683	0.6
259.07288	0.7
271.02539	33.2
272.03094	5.3
273.03931	0.9
275.85910	0.6
287.05670	0.6
299.02026	21.8
300.02771	25.5
301.03445	7.6
311.09702	3.5
331.04666	12.1
331.17853	67.6
331.59781	1.7
332.05066	1.4
332.10092	13.3
332.18216	6.8
341.59824	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
71.15838	0.7
85.02840	0.6
89.93301	0.3
97.06493	0.5
108.02007	0.3
114.21690	0.3
117.03380	5.7
119.04945	10.1
121.02858	2.4
123.04436	2.0
132.02132	0.6
132.05743	0.9
133.01837	0.7
133.02882	14.0
134.03694	5.6
135.04454	12.5
135.05290	0.3
136.04781	0.5
137.02383	2.3
139.03888	0.5
142.39304	0.3
145.02890	14.2
146.03261	0.7
147.04434	0.5
151.11221	1.3
161.02391	49.3
162.02782	2.0
163.03954	8.6
169.12372	0.6
170.59541	0.4
178.02666	1.0
179.03445	5.7
191.05373	0.4
279.66055	0.3
287.16574	2.0
299.13086	0.6
313.14539	0.5
331.15564	100.0
332.15921	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	331.1559
Annotation	Chrysotobibenzyl
Peak:m/z	Relative Intensity
56.30279	0.4
59.01263	1.2
70.92477	1.0
71.01266	0.5
72.42853	0.3
73.02821	0.4
77.96639	0.3
85.02840	1.9
97.06520	1.7
97.07031	0.3
101.02352	0.5
102.47662	0.3
113.02382	0.4
117.03382	9.9
119.04944	41.0
120.05267	1.6
121.02863	2.8
123.04427	1.2
133.02872	2.6
134.03638	1.1
135.04448	4.2
137.02385	0.5
145.02892	34.7
146.03218	1.4
149.02365	0.5
152.21629	0.3
153.01839	0.4
161.02376	7.7
161.06000	0.4
162.03125	0.8
163.03957	27.1
164.04274	1.2
179.03490	2.2
264.21060	0.3
331.15573	100.0
332.15930	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	331.156
Annotation	Unknow
Peak:m/z	Relative Intensity
54.89571	0.2
57.37286	0.3
59.01257	1.1
68.08584	0.3
71.01268	0.6
71.58775	0.5
73.02853	0.6
85.02809	1.9
93.03333	0.7
97.06494	2.3
105.56590	0.3
113.02391	0.3
117.03381	10.7
119.04946	46.5
120.05260	1.5
121.02887	3.7
123.04453	1.2
133.02869	2.8
134.03629	0.8
135.04439	3.3
137.02373	0.4
145.02892	41.4
146.03258	1.5
149.02411	0.5
153.01891	0.3
161.02383	7.2
161.04449	0.4
161.06012	0.3
162.03081	1.0
163.03958	29.8
164.04301	1.2
177.01910	0.6
179.03401	1.8
185.11830	0.3
258.97409	0.3
331.15564	100.0
332.15900	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1559
Annotation	Marmin
Peak:m/z	Relative Intensity
57.03336	0.4
57.19450	0.3
59.01272	1.7
60.85803	0.4
64.01073	0.3
65.78557	0.3
68.25063	0.3
70.74178	0.7
70.74564	0.7
71.01260	1.0
73.02817	0.6
85.02837	1.0
93.03365	0.4
95.70909	0.3
97.06502	0.8
100.38998	0.3
101.02335	0.7
117.03374	7.4
119.04939	17.7
120.05315	0.4
121.02879	2.0
123.04430	1.6
127.07497	0.4
133.02881	4.5
134.03777	1.7
135.04448	12.8
137.02394	1.6
139.03946	1.0
145.02881	33.3
146.03218	1.3
149.02367	1.0
153.01866	0.8
161.02386	15.3
161.04504	0.9
162.02856	0.5
163.03946	12.1
164.04349	0.4
167.45714	0.4
177.01918	0.7
177.11902	0.4
178.02664	0.9
179.03455	8.6
182.26833	0.3
185.11818	0.6
331.15558	100.0
331.51849	0.4
332.12094	0.5
332.15915	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	331.1557
Annotation	Chrysotobibenzyl
Peak:m/z	Relative Intensity
56.40668	0.4
57.92624	0.3
59.01250	1.0
70.16149	1.4
70.46318	0.4
85.02838	1.5
86.83177	0.3
97.06496	2.1
98.19888	0.6
113.02374	0.5
117.03383	9.8
119.04945	39.1
120.05280	1.4
121.02870	2.6
123.04381	1.0
132.02127	0.4
133.02895	2.9
134.03619	1.1
135.04463	4.3
137.02353	0.6
139.03900	0.4
145.02887	36.7
146.03223	1.7
149.02393	0.8
161.02390	7.2
162.02965	0.6
163.03958	24.5
164.04326	0.6
179.03468	2.3
331.15567	100.0
332.15881	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	331.1773
Annotation	Betulalbuside A
Peak:m/z	Relative Intensity
55.01772	3.1
57.03343	1.2
58.00497	3.5
59.01266	77.1
60.01566	1.1
69.03342	1.2
71.01273	61.8
72.01595	1.0
72.99197	4.8
73.02839	71.8
74.03192	0.7
82.60204	0.5
83.01273	5.7
85.02851	11.8
87.00774	8.2
89.02343	29.8
93.03397	0.9
95.01308	2.1
97.02869	1.4
99.00793	2.2
101.02350	59.3
102.02684	1.0
103.51347	0.5
113.02359	9.3
117.03357	0.6
119.03423	33.2
119.04910	1.3
121.02895	1.0
125.02404	0.7
131.03450	0.6
133.02925	1.2
135.04460	2.8
139.00299	0.5
143.03456	2.6
145.02832	2.7
146.77113	0.5
147.04474	0.6
149.04532	1.2
159.02980	0.5
161.02365	3.2
161.04507	100.0
162.04857	3.7
163.04016	0.9
175.03951	1.1
179.03513	2.2
179.05577	3.7
184.31587	0.5
214.25009	0.5
219.14673	0.6
229.20738	0.8
331.17838	78.8
332.18146	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	331.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39792	0.3
53.09665	0.3
62.75106	0.3
62.96826	0.3
67.06220	0.3
70.34313	0.3
70.34804	1.1
71.04897	0.4
72.33676	0.3
78.14542	0.3
81.03359	2.8
98.03664	0.6
99.03799	0.5
99.04414	4.5
99.04999	0.4
117.03379	16.4
118.03728	0.8
119.04945	14.0
120.05258	0.5
121.02886	1.2
123.04428	0.9
126.81454	0.3
127.52901	0.3
133.02907	0.5
136.71284	0.3
137.11766	0.3
145.02890	100.0
146.03233	4.2
149.09605	0.5
162.03156	1.0
163.03960	6.7
167.10669	1.4
167.75218	0.3
185.11806	0.8
233.19257	0.3
331.15570	81.7
332.15887	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	331.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00481	0.6
59.01264	1.5
64.32533	0.3
80.54132	0.3
84.22071	0.3
87.04408	0.4
87.54792	0.3
91.35538	0.3
91.36164	0.3
97.06500	0.7
98.19833	0.8
99.04455	0.4
117.03378	18.9
118.03712	0.7
119.04945	81.3
120.05280	3.3
121.02859	1.2
123.04453	0.6
123.08068	0.8
125.09648	1.4
135.04453	0.4
137.09642	0.6
145.02887	100.0
146.03230	3.8
149.09680	0.9
153.09171	0.6
157.89288	0.3
162.03142	0.5
163.03960	11.7
164.04247	0.5
185.11781	1.4
229.15215	0.4
266.01514	0.3
319.12411	0.3
331.15567	94.3
332.15915	9.2
332.19867	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.156
Annotation	epi-Norcembrene
Peak:m/z	Relative Intensity
61.43717	0.3
66.62686	0.3
69.29352	0.6
69.29757	2.4
93.03349	0.3
101.00708	0.3
101.05975	0.4
101.14613	0.3
116.73658	0.3
117.03374	13.4
118.04209	0.6
119.04946	41.8
120.05289	1.6
121.02866	3.7
123.04446	0.9
133.02885	1.1
134.03625	0.6
145.02888	42.6
146.03247	1.5
154.88805	0.3
162.03131	1.4
163.03957	26.0
164.04312	1.3
189.05580	0.4
194.63770	0.3
283.13583	0.5
313.14459	0.6
331.15573	100.0
332.15906	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	331.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
71.15483	0.6
88.03053	0.2
99.26251	0.3
107.04929	0.4
117.03374	3.5
119.04942	16.6
120.05272	0.5
121.02861	0.8
123.08088	0.6
133.02867	5.0
134.03674	4.9
135.04442	35.9
136.04800	1.8
137.02370	2.8
139.03903	1.1
145.02882	14.9
146.03230	0.8
150.03160	0.4
160.16328	0.2
161.02388	16.3
162.02745	0.8
163.03958	12.7
163.05345	0.6
164.04282	0.7
167.10696	1.0
178.02672	1.0
179.03456	28.0
180.03818	1.2
180.05157	0.2
185.11908	0.4
302.45178	0.2
331.15561	100.0
331.75684	0.3
332.15900	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	331.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
67.68964	0.5
70.49078	0.9
70.49483	0.8
71.53777	0.5
98.19930	0.5
107.41232	0.4
117.03352	0.5
119.86314	0.4
126.64065	0.4
133.02878	7.2
134.03653	1.3
135.04448	21.1
136.04787	0.8
137.02356	0.8
161.02383	30.7
162.02731	0.6
169.12263	0.8
178.02650	0.5
179.03458	2.7
331.15573	100.0
332.15906	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	331.1558
Annotation	Gibberellin A4
Peak:m/z	Relative Intensity
59.91373	0.2
71.13435	0.2
71.13787	0.4
105.03355	0.3
117.03321	0.3
121.02829	0.6
132.02112	0.8
133.02887	16.2
134.03693	5.3
135.04453	10.5
136.04779	0.4
137.02362	3.7
138.02740	0.2
139.03931	1.4
145.02901	0.5
146.79158	0.2
150.03171	0.3
161.02393	48.5
162.02733	2.1
163.03914	0.3
169.16231	0.2
178.02681	1.5
179.03447	5.8
206.24727	0.3
228.59703	0.2
331.15576	100.0
332.15918	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	331.1557
Annotation	Marmin
Peak:m/z	Relative Intensity
57.03317	0.3
59.01267	0.7
70.10841	0.5
70.11234	1.0
71.01293	0.5
79.94925	0.4
85.02837	0.7
87.04416	0.4
88.11092	0.3
93.03374	0.5
93.64165	0.3
97.06503	1.0
99.04398	0.5
101.02365	0.3
112.36861	0.4
117.03373	18.9
118.03622	0.5
119.04945	20.3
120.05308	0.9
121.02837	2.3
121.16679	0.4
123.04442	1.1
133.02888	3.9
134.03629	1.4
135.04460	3.3
135.20702	0.3
139.03973	0.4
140.01848	0.4
145.02888	90.6
146.03227	3.7
161.02390	10.1
162.02986	0.8
163.03966	11.0
164.04356	0.5
178.02641	0.4
179.03481	1.5
227.59433	0.3
331.15561	100.0
332.15909	10.8
332.19876	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
56.78542	0.5
59.36949	0.4
60.78527	0.5
66.34471	0.5
69.93256	2.5
80.19559	0.5
95.64445	0.4
105.60925	0.4
105.66803	0.5
117.03394	2.8
119.04961	3.3
121.02927	1.1
132.02115	0.5
133.02875	14.2
133.03831	1.1
134.03708	4.8
135.04451	26.3
137.02379	3.4
139.03938	1.2
145.02888	11.3
145.04053	0.8
150.03174	0.5
161.02390	48.2
162.02736	1.8
163.04051	1.1
178.02658	1.3
179.03468	13.3
226.78575	0.4
228.56111	0.5
255.47993	0.5
281.49789	0.6
284.63489	0.5
331.15564	100.0
332.15860	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	331.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41515	0.4
59.01258	0.4
60.82664	0.4
69.20393	0.4
69.76273	2.4
92.79331	0.4
95.73048	0.4
98.19878	0.7
99.60970	0.4
107.79117	0.4
117.03425	0.5
119.04981	0.6
133.02885	9.6
134.03708	3.1
135.04453	25.8
136.04790	0.6
137.02327	2.1
139.03964	0.6
139.11232	0.6
145.02885	0.8
161.02390	44.7
162.02713	2.1
163.03925	0.8
169.12230	0.8
178.02690	1.6
179.03455	3.6
212.26529	0.4
216.16229	0.4
270.91257	0.3
331.15588	100.0
332.15894	11.3
332.19852	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
62.91343	0.2
69.12907	0.2
69.77666	1.2
69.78066	0.4
72.93983	0.2
74.45513	0.2
107.04943	0.3
108.50575	0.2
110.34603	0.2
111.82001	0.2
121.02859	0.3
133.02873	5.5
134.03673	3.9
135.04453	26.2
136.04794	1.4
137.02393	2.1
139.03957	0.9
140.82222	0.2
145.02934	0.2
151.54527	0.2
161.02386	14.8
162.02689	0.7
178.02667	0.6
179.03459	16.1
180.03810	0.4
232.32608	0.3
331.15573	100.0
332.15903	10.7
332.19882	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34848	0.1
52.62249	0.2
70.36312	0.4
81.35894	0.1
85.02864	0.2
99.00520	0.1
106.99873	0.1
116.60896	0.1
117.03381	0.4
119.04942	0.7
121.02847	0.5
129.06934	0.1
132.02080	0.3
133.02875	11.9
134.03677	4.2
135.04451	4.7
137.02368	3.1
139.03946	0.9
139.11194	0.8
141.12773	0.2
145.02890	1.3
146.03223	0.2
150.03105	0.3
161.02383	48.8
162.02731	1.9
163.03941	0.5
165.01834	0.2
178.02675	1.8
179.03482	3.6
245.10362	0.1
331.15558	100.0
332.15897	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	331.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
63.66651	0.2
69.68955	2.0
71.86131	0.3
94.72392	0.3
98.19824	0.7
108.67758	0.3
117.03342	0.9
121.02845	0.4
132.02042	0.5
133.01845	0.6
133.02876	12.6
134.03726	1.6
134.77788	0.3
135.04449	8.1
135.08067	0.5
136.04880	0.3
137.02365	1.5
139.03877	0.3
145.02887	1.4
151.11218	3.2
161.02385	44.9
162.02705	1.8
166.19447	0.3
178.02695	0.7
179.03444	3.8
233.01527	0.3
250.65823	0.3
331.15561	100.0
332.15921	10.7
332.19901	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11037	0.5
57.03334	0.6
64.63717	0.5
71.01277	0.6
71.07298	1.4
73.02843	6.6
117.03379	11.9
119.04948	42.0
120.05298	0.8
121.02894	0.7
133.02899	4.8
134.03706	2.9
135.04460	5.3
137.02403	1.1
145.02892	49.0
146.03235	1.4
161.02399	12.7
163.03957	35.9
164.04352	1.1
178.02684	0.6
179.03435	2.9
185.11780	2.4
228.44894	0.6
231.85327	0.6
331.15576	100.0
332.15927	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	331.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41539	0.3
53.96050	0.3
64.64162	0.3
69.77412	0.8
69.77827	0.9
79.39333	0.2
85.02849	1.6
87.04422	0.3
93.03343	0.3
97.06513	1.8
98.20522	0.5
104.80983	0.2
117.03376	8.9
117.04204	0.6
118.04246	0.4
119.04942	33.9
120.05283	1.0
121.02872	1.4
123.04443	0.6
133.02869	0.8
145.02887	26.7
146.03250	0.6
149.73849	0.3
161.02429	2.0
161.06012	0.5
162.03142	0.7
163.03963	19.3
163.57443	0.3
163.93367	0.3
164.04269	0.7
286.30063	0.3
286.61658	0.3
331.15567	100.0
332.15921	9.6
338.53241	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22376	0.3
55.01859	0.3
58.59332	0.3
70.33752	1.4
70.34114	0.5
85.02862	1.0
92.75935	0.4
97.06495	1.3
104.12461	0.3
117.03373	9.1
119.04942	31.8
119.94443	0.3
120.05283	0.9
121.02859	1.8
123.04407	1.0
131.89787	0.4
133.02869	2.0
134.03653	1.6
135.04459	8.9
137.02354	1.3
145.02888	33.3
146.02220	0.4
146.03242	1.4
161.02374	7.2
162.03058	0.6
163.03957	17.4
164.04332	0.6
165.09123	0.4
178.02692	0.6
179.03468	5.9
180.03923	0.4
185.11784	1.2
266.40842	0.4
331.15570	100.0
332.15860	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	331.0466
Annotation	Vaccaxanthone
Peak:m/z	Relative Intensity
55.01772	0.8
59.01262	5.6
59.49603	0.6
63.02282	9.6
65.00210	14.7
65.03831	0.7
69.33088	5.0
69.33498	1.2
71.01273	7.1
73.02826	2.0
81.03371	0.6
83.01276	10.3
85.02837	4.2
85.11213	0.6
87.00729	0.7
89.02318	3.9
91.01792	0.9
91.64929	0.6
95.01279	1.9
98.20584	1.4
99.00770	1.4
101.02341	5.6
107.01293	26.7
107.04990	0.7
109.02853	5.5
111.00790	1.8
113.02346	3.3
115.05398	0.6
117.03325	1.0
119.01296	3.8
119.03424	1.3
119.04903	1.3
121.02837	2.3
123.00752	1.0
123.04448	2.4
124.01563	1.9
125.02366	2.4
133.02876	4.1
135.00839	1.2
135.04419	1.8
136.01599	11.8
143.04965	1.7
145.02870	2.6
146.32913	0.7
147.00838	7.2
147.04439	1.5
148.01640	4.6
149.02379	1.3
151.00311	73.2
151.03918	2.2
152.01065	5.1
155.04941	1.2
157.02895	1.1
159.04482	0.7
160.01677	0.6
161.02386	3.6
161.04497	4.0
163.00313	2.7
163.04022	0.8
164.01122	1.1
165.01830	1.8
166.23151	0.5
167.03432	3.6
169.01367	6.7
171.04469	4.1
173.02434	1.1
175.03925	3.9
177.01804	0.6
178.99825	46.9
179.03374	5.4
180.00140	2.4
182.03596	1.0
183.04454	2.7
185.02383	1.6
185.92676	0.7
187.00273	2.1
187.03973	2.5
189.01913	1.2
193.01399	0.9
195.03000	2.1
198.03210	1.3
199.03998	13.0
200.04408	0.9
201.01949	4.7
203.03433	2.0
207.02957	0.9
211.03969	1.9
212.04762	0.7
213.01811	1.5
214.02596	0.8
215.03484	2.4
221.00948	0.7
226.02768	2.0
227.03539	10.7
228.04021	1.2
231.02950	2.2
238.18736	0.6
239.03522	0.8
243.03000	14.9
244.03522	1.3
255.02965	7.3
256.03912	3.9
271.02536	100.0
272.03152	16.7
273.03894	1.3
287.05676	2.3
299.02036	61.8
300.02783	82.2
301.03445	22.2
302.03992	1.7
303.04938	1.1
309.90637	0.7
331.04660	39.9
331.15503	2.8
331.18106	1.7
332.05017	4.3
332.18521	0.7
342.17288	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0677
Annotation	1-O-Galloyl-beta-D-glucose
Peak:m/z	Relative Intensity
51.13588	1.2
59.01240	2.2
66.45272	1.5
69.03339	3.7
70.17011	5.4
73.41479	1.3
81.03366	2.5
83.01244	2.2
95.01308	1.9
97.02854	3.5
101.02345	1.6
107.01307	1.9
117.03419	2.8
119.04948	5.2
122.93244	1.5
123.00812	3.0
123.04413	5.1
124.01583	18.8
125.02368	62.9
133.02879	2.7
137.02373	1.7
145.02916	4.4
149.02339	2.5
149.99512	25.2
151.00337	8.4
153.01868	4.6
155.08095	1.5
161.02367	3.4
163.03934	3.9
168.00598	65.8
168.04286	1.9
169.01381	26.7
169.05083	2.2
297.82654	1.4
313.05756	5.4
331.06775	100.0
331.15396	25.2
332.07034	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	329.1767
Annotation	Carnosol
Peak:m/z	Relative Intensity
50.93052	0.3
59.01111	0.3
59.01361	0.8
70.91592	1.1
87.14912	0.3
93.89025	0.3
95.05047	0.6
105.03528	3.4
117.03527	2.0
119.05125	1.3
121.02959	0.7
123.04572	0.5
132.02258	1.4
133.01471	1.3
133.02881	40.2
134.03470	0.7
137.02531	0.3
145.02888	8.5
147.58011	0.3
149.02528	0.9
151.04129	0.4
160.01598	4.6
161.02388	2.3
162.03281	0.5
163.04095	0.7
173.15175	0.3
175.03969	5.3
177.01901	13.3
178.02634	1.0
179.03638	0.3
270.98892	0.4
285.14999	1.2
314.15295	82.9
315.15628	7.0
329.14056	9.8
329.17615	100.0
330.14276	1.1
330.17947	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	329.234
Annotation	9S,12S,13S-Trihydroxy-10E-octadecenoic acid
Peak:m/z	Relative Intensity
51.77075	0.3
57.03323	0.9
58.79628	0.3
59.01258	0.7
69.03318	0.3
69.87894	1.9
71.04915	0.3
76.86639	0.3
83.04910	0.7
83.34295	0.3
84.02065	0.3
85.02845	0.4
97.06492	0.4
98.72437	0.3
99.08059	5.4
117.03374	3.1
119.04946	2.5
125.09639	1.0
127.11190	2.5
139.11230	3.5
145.02892	17.7
146.03227	1.0
155.10710	0.5
155.14305	0.4
157.12279	0.6
163.03932	0.4
164.04243	0.3
165.09143	0.3
165.12878	0.3
167.14359	1.2
171.10226	8.7
172.10530	0.4
181.12335	0.3
183.13861	5.1
187.58885	0.3
193.12337	2.0
204.82668	0.3
209.11824	1.2
211.13391	26.2
212.13712	2.1
229.14450	14.2
230.14879	0.7
285.15106	1.0
293.21240	0.8
311.22418	0.7
329.14230	9.3
329.23389	100.0
330.14478	1.6
330.23737	10.3
330.27771	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03339	5.5
59.01272	0.7
59.73029	0.3
63.24051	0.3
71.04914	0.3
71.57068	0.7
77.17793	0.3
79.22378	0.3
83.04913	2.9
86.50184	0.3
95.04913	0.4
101.05987	0.5
117.03376	17.5
118.03670	0.4
119.04942	18.7
120.05289	0.4
121.02887	1.2
123.04439	0.4
123.08940	0.3
134.03694	0.4
138.06807	0.9
145.02888	100.0
146.03230	4.2
153.09146	3.2
162.03247	0.3
163.03952	26.8
164.04303	1.3
178.04343	0.4
247.55296	0.3
247.69035	0.3
329.14011	86.5
330.14349	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
69.92036	1.4
89.00253	0.4
100.38878	0.4
106.15453	0.3
108.02144	0.3
117.03352	1.1
119.04891	0.4
121.02862	0.9
132.02122	0.3
133.01857	0.5
133.02885	12.9
134.03690	3.8
135.04453	21.9
136.04756	0.7
137.02391	2.3
139.03941	0.8
145.02885	4.1
161.02397	43.4
162.02707	2.0
163.04024	0.6
178.02634	1.1
179.03465	18.4
180.03816	1.0
329.14029	100.0
330.14371	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	329.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	4.0
65.97276	0.3
67.69591	0.3
69.30669	3.7
70.89591	0.3
85.02863	0.3
85.95592	0.4
93.03360	1.5
97.33865	0.3
98.19827	0.6
101.02428	0.3
109.02855	1.2
111.08080	0.4
119.04932	0.4
121.02872	18.7
122.03233	0.8
129.66249	0.4
135.04443	2.0
137.02356	0.5
145.02815	0.5
147.04459	7.7
149.02419	0.5
159.04468	2.2
160.05214	0.5
161.02437	0.4
167.07112	0.5
174.03041	0.4
183.04642	0.4
192.07938	1.0
196.05264	0.9
209.06073	0.5
211.04048	0.7
212.04771	4.3
213.05203	0.6
216.11151	0.4
222.06834	0.6
223.07649	1.1
225.05531	1.2
225.09120	0.7
226.06360	1.4
237.05588	0.9
240.04312	4.1
240.06841	0.4
240.07826	0.5
241.08730	2.1
241.22580	0.4
243.10323	1.6
250.06331	0.6
251.07144	1.9
252.07835	0.4
253.05157	0.9
253.08725	2.3
254.05891	6.1
255.06447	0.7
255.10277	1.1
263.07288	0.8
265.08740	0.6
266.09155	0.4
268.07455	1.2
269.08246	57.5
270.08600	5.7
271.09805	6.7
272.10272	0.6
280.71973	0.4
281.08276	9.3
281.32544	0.4
282.08734	1.4
283.09900	3.3
286.04868	1.3
298.08463	1.1
299.09305	45.5
300.09625	3.9
313.10989	0.7
314.11661	55.9
315.12012	4.6
329.14001	100.0
330.10455	0.5
330.14346	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	329.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
61.52893	0.3
69.03317	0.4
70.52130	1.2
70.52480	0.4
71.65867	0.3
85.63845	0.3
93.03360	0.7
95.04926	0.6
97.06483	0.6
105.32352	0.3
106.04148	0.5
117.03364	0.4
119.04934	0.3
119.47601	0.3
121.02897	1.4
125.02434	0.3
129.45668	0.3
133.02882	13.7
134.03680	10.3
135.04456	24.6
136.04778	0.7
137.02377	8.8
137.09660	0.4
139.03941	3.0
145.02866	2.6
149.02356	0.4
150.03160	0.7
161.02393	39.4
162.02754	1.2
178.02696	3.9
179.03477	12.1
180.03761	0.6
194.99821	0.3
217.84590	0.3
292.01575	0.3
329.14017	100.0
330.14362	10.9
353.06339	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46765	0.2
54.49332	0.2
57.03340	7.5
59.01278	0.2
60.45264	0.2
69.67143	0.2
71.04940	0.6
83.04915	4.2
95.04919	0.6
98.19733	0.4
99.85428	0.2
101.05996	0.5
117.03374	22.7
118.03661	0.6
119.04942	17.9
120.05267	0.7
121.02876	0.8
123.04405	0.3
138.06770	1.3
145.02885	100.0
145.51750	0.2
146.03224	4.8
147.04471	0.3
153.07974	0.4
153.09137	3.5
162.03279	0.3
163.03957	20.7
163.57896	0.3
164.04305	1.0
173.63480	0.2
299.13019	0.3
299.94037	0.2
329.14005	86.7
330.14331	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	329.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
56.83517	0.2
59.87912	0.2
67.03728	0.2
69.59071	0.3
69.69379	1.0
69.69812	0.8
82.09538	0.2
106.04208	0.3
107.04937	0.4
117.03371	0.5
118.46365	0.3
121.02853	0.5
124.07986	0.2
132.02153	0.4
133.01857	0.5
133.02879	10.7
134.03683	4.6
135.04453	34.4
136.04793	1.4
137.02362	2.7
139.03917	0.8
145.02875	1.8
149.62592	0.3
150.03186	0.3
161.02388	33.7
162.02722	1.1
178.02635	1.4
179.03464	23.5
180.03822	1.1
181.50218	0.3
285.15298	0.4
296.35651	0.3
329.14011	100.0
330.14334	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	329.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
61.17434	0.5
61.83482	0.5
63.14698	0.5
66.39753	0.4
70.33727	1.0
70.34132	1.0
86.75483	0.5
109.02841	0.7
117.03367	1.0
119.04907	0.7
121.02846	1.4
132.02094	0.7
133.02881	19.1
134.03696	7.4
135.04495	3.2
137.02377	10.2
139.03926	2.0
139.07561	1.2
139.11127	0.7
145.02884	3.4
161.02390	51.6
162.02696	2.3
172.23376	0.6
173.06126	0.5
174.06766	1.1
178.02693	3.7
179.03241	0.5
193.64755	0.5
202.00468	0.5
257.11884	1.8
257.15378	1.2
258.12521	2.8
285.15030	35.4
286.15411	2.8
299.53574	0.5
321.50906	0.5
329.14011	100.0
330.14386	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	329.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
58.93724	0.3
67.60782	0.3
70.49959	1.3
70.66808	0.3
71.04757	0.3
85.88026	0.3
93.03350	0.4
117.03369	6.5
119.04946	9.1
120.05296	0.4
121.02863	1.2
123.13755	0.3
133.02882	9.7
134.03671	4.8
135.04451	26.2
136.04764	1.0
137.02357	3.0
137.09607	0.4
139.03946	1.1
145.02892	30.6
146.03226	1.5
147.13426	0.3
150.03122	0.5
153.09135	2.0
161.02397	24.4
162.02771	1.3
163.03949	4.1
166.55064	0.4
178.02689	1.2
179.03467	18.3
180.03806	0.6
183.54903	0.3
276.11011	0.3
285.15033	4.5
310.22516	0.4
329.14017	100.0
330.14374	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	329.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
61.26800	0.2
69.92463	1.2
85.02850	0.6
108.29177	0.3
117.03380	9.3
118.04149	0.3
119.04949	3.0
121.02890	2.9
123.04452	1.1
123.08070	0.3
133.02892	5.5
134.03679	1.5
135.04460	1.7
137.02373	1.0
137.09660	0.8
139.03961	0.4
139.07579	0.5
145.02895	67.3
146.03224	1.2
159.08063	0.3
161.02397	34.9
162.03157	2.3
163.03949	2.9
165.09271	0.3
167.10716	2.4
178.02669	0.8
179.03375	1.4
187.07478	0.4
195.75342	0.3
196.71870	0.3
200.32661	0.3
276.30246	0.2
285.15048	7.1
286.15427	0.6
329.14023	100.0
330.14334	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	329.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
62.11018	0.2
69.78394	1.5
76.10438	0.2
80.85876	0.2
85.02845	1.9
87.04384	0.2
97.06490	0.5
98.19744	0.2
111.08076	0.3
111.70048	0.2
116.42284	0.2
117.03378	24.6
118.04242	0.5
118.45731	0.2
119.04950	7.9
119.89162	0.2
121.02875	3.0
121.05486	0.2
123.04460	1.2
133.02852	0.9
134.03648	0.4
135.04443	0.5
145.02893	100.0
146.02182	0.4
146.03235	3.6
161.02344	0.6
162.03206	2.7
163.03958	4.8
164.04301	0.3
176.87152	0.2
183.10289	0.3
262.47110	0.2
327.81226	0.2
329.14014	82.9
330.14334	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	329.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46971	0.4
60.29782	0.4
69.78919	2.9
82.32304	0.4
87.04409	0.7
93.03287	0.4
95.04957	0.9
96.86001	0.5
97.06480	2.7
98.19807	0.8
117.03413	0.5
121.60197	0.4
124.05238	3.6
131.99214	0.4
133.02881	11.7
134.03667	2.8
135.04439	8.1
137.02391	2.0
139.03949	0.5
145.02861	1.5
147.80803	0.6
149.84259	0.5
150.03122	0.4
152.08380	1.5
161.02393	70.5
162.02733	2.7
163.03903	0.6
167.10722	7.7
178.02673	1.6
179.03458	9.1
202.62923	0.4
261.39862	0.4
266.72488	0.4
329.14011	100.0
330.14343	11.0
352.99954	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1402
Annotation	(+)-7-(6,7-Epoxy-3,7-dimethyl-5-oxooctanoxy)-coumarin
Peak:m/z	Relative Intensity
68.10270	0.3
71.33708	0.3
71.34097	0.6
109.06582	0.3
117.03360	3.8
119.04940	2.1
121.02866	1.1
123.04435	0.3
133.02879	10.2
134.03674	4.7
135.04454	1.4
137.02382	3.7
139.03929	1.2
145.02885	15.1
146.03227	0.6
150.03241	0.6
161.02386	36.9
162.02750	1.3
163.03972	1.5
175.54863	0.3
178.02658	1.8
179.03395	0.5
254.82845	0.3
285.15009	0.3
292.43451	0.3
329.14005	100.0
330.14352	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	329.1401
Annotation	(E)-7-(6-Hydroperoxy-3,7-dimethylocta-2,7-dienyloxy)coumarin
Peak:m/z	Relative Intensity
58.98300	0.4
71.17355	1.0
75.26349	0.3
80.31218	0.3
86.82671	0.3
87.64580	0.4
98.03617	0.4
117.03371	10.2
118.03720	0.4
119.04948	8.5
121.02881	1.8
122.62926	0.4
123.04433	0.7
132.02078	0.8
133.02881	13.5
134.03682	2.0
135.04456	8.9
137.02382	1.2
137.09625	0.6
145.02885	38.1
146.03221	1.8
149.09627	0.5
151.07616	0.5
153.09145	0.9
161.02386	47.7
162.02702	2.6
163.03973	3.7
167.10693	0.5
178.02689	0.6
179.03471	7.0
180.03786	0.4
182.23451	0.4
187.07640	1.1
285.15012	7.3
286.15256	1.0
293.00754	0.4
329.14008	100.0
330.14346	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	329.0886
Annotation	1-O-Vanilloyl-beta-D-glucose
Peak:m/z	Relative Intensity
55.52197	1.6
58.00471	3.6
59.01266	70.9
69.40102	14.4
71.01274	42.2
72.99200	6.4
83.01280	2.0
85.02861	7.3
87.00787	2.3
89.02338	33.7
91.01812	2.8
95.01284	5.6
101.02346	24.5
108.02073	5.6
109.02846	3.1
113.02361	16.6
119.03420	13.6
119.04882	1.4
121.02885	2.3
123.00803	6.4
123.04452	14.0
123.24879	1.5
124.01630	2.3
145.02924	4.9
149.02422	1.9
150.03113	2.4
151.00340	4.9
152.01062	9.4
166.02623	7.9
166.99834	1.9
167.03452	71.5
168.03760	2.9
181.04987	10.8
194.02155	4.2
209.04536	48.8
210.04874	2.6
239.05679	4.0
269.06799	7.2
329.08878	100.0
329.13934	14.5
330.09326	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	329.115
Annotation	Miraxanthin III
Peak:m/z	Relative Intensity
54.01741	0.8
59.01262	3.7
63.02301	0.8
65.00201	1.9
70.71052	0.7
71.01268	2.3
71.57562	1.2
73.02816	0.9
82.02876	8.9
83.01278	2.6
89.00238	1.5
89.02329	0.9
95.01278	0.8
97.02863	0.8
100.85590	0.8
101.02346	1.6
106.06526	7.6
107.01302	3.7
108.04454	1.9
110.02401	1.2
122.06019	1.9
123.04455	1.9
132.04475	24.6
133.05258	2.3
134.06047	34.8
135.04413	1.5
135.06383	0.9
136.03947	2.1
148.04007	1.1
149.02390	3.5
149.04710	2.1
150.95949	0.6
150.99130	1.2
151.00317	16.6
152.00644	0.7
160.03979	16.4
161.02415	1.9
161.04761	28.4
162.05554	71.9
163.05882	4.2
164.07069	0.8
167.03392	1.0
173.04738	0.7
175.03810	0.8
176.03497	3.1
177.07701	0.8
178.99831	14.8
180.00224	1.1
193.03773	44.3
194.04243	3.0
206.04480	0.8
212.07162	4.4
213.07921	2.6
214.08788	6.6
226.08701	2.5
241.06236	7.6
242.06772	0.7
242.11887	3.6
243.11458	2.4
255.07764	0.9
257.09344	9.9
258.09302	0.8
268.09793	2.2
269.09351	6.6
270.09659	0.8
285.12521	66.7
286.12830	6.1
297.00592	0.9
301.03885	1.4
311.10501	7.9
314.11722	1.1
325.58176	0.7
329.03384	6.6
329.11456	100.0
330.11789	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	329.14
Annotation	(E)-7-(6-Hydroperoxy-3,7-dimethylocta-2,7-dienyloxy)coumarin
Peak:m/z	Relative Intensity
51.65127	0.5
57.03343	0.9
57.44798	0.5
59.01266	4.5
68.80048	0.6
70.86864	1.2
70.87201	1.1
71.01268	1.1
85.02856	1.9
89.02336	1.0
89.36594	0.7
101.02340	1.1
108.02191	0.6
113.02309	0.7
114.65965	0.6
117.03378	22.5
118.03724	0.9
119.04955	10.7
121.02853	3.4
123.04437	1.6
125.23996	0.6
127.66149	0.5
133.02917	3.3
134.03619	0.9
135.04422	1.3
145.02890	100.0
146.03215	5.1
147.00818	2.4
148.01567	1.4
161.02383	8.9
161.04454	0.9
162.03127	2.2
163.03981	6.7
167.10733	0.7
172.59366	0.7
175.00417	0.7
177.01866	0.7
179.03497	1.3
231.22626	0.6
238.19435	0.6
270.98889	1.1
285.14951	2.1
301.14474	1.4
314.00595	0.9
325.01065	0.6
329.14008	95.9
330.14383	10.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2548
Annotation	2-palmitoleoyl-glycerol
Peak:m/z	Relative Intensity
59.01257	8.4
66.23883	1.7
70.91588	1.2
71.01295	1.6
71.06021	3.6
71.96375	1.0
83.04929	1.4
89.02346	2.5
91.03906	4.8
93.58650	1.0
117.03400	2.8
119.04950	1.3
139.07611	1.3
145.02879	16.6
158.42686	1.1
168.60175	1.2
189.82242	1.3
197.90965	1.2
235.20685	22.7
236.20918	2.1
253.21761	100.0
254.22078	7.2
267.10852	1.8
283.13477	1.8
291.77686	1.2
292.16751	1.2
327.12421	16.4
327.18866	1.8
327.28995	1.7
328.12790	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2185
Annotation	9S,12R,13S-Trihydroxy-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
54.10311	0.3
55.01763	0.4
57.03341	2.2
58.00507	0.3
59.01254	0.5
65.71145	0.3
67.21253	0.3
67.27839	0.3
69.03335	1.8
70.97400	0.6
70.97753	0.6
71.01273	1.0
71.04896	0.4
72.45966	0.3
76.55340	0.3
77.51925	0.2
80.02551	0.4
82.00480	0.3
83.04905	0.9
83.56071	0.2
84.02065	0.4
85.02845	8.8
95.04919	1.1
97.02853	1.0
97.06479	3.5
109.06530	0.3
117.03442	0.4
119.08560	0.4
125.09631	1.2
127.11194	1.8
137.09647	2.0
145.02882	0.6
155.10710	0.6
155.14394	0.5
163.11212	0.4
165.12801	1.2
167.14352	0.9
171.10228	20.2
172.10577	0.5
174.43777	0.3
177.12820	0.9
181.12476	0.4
183.13872	3.4
185.11850	1.5
189.71494	0.3
193.12282	1.6
197.11894	0.7
199.13367	0.4
201.11258	0.8
203.10776	0.8
209.11879	1.5
211.13385	19.9
212.13773	0.7
218.71643	0.3
221.11844	2.8
222.12163	0.4
229.14459	11.5
230.14832	0.8
239.12904	1.6
291.19705	3.4
309.20767	1.0
327.21829	100.0
328.22168	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
67.78469	0.4
69.54993	2.9
77.64318	0.4
84.02069	1.2
93.03378	2.1
117.03381	24.5
118.03670	0.4
119.04961	4.6
121.02894	3.6
121.06498	0.6
123.04468	1.4
123.08060	0.6
129.03383	1.5
130.04155	0.6
131.04965	0.4
133.02911	1.2
135.08083	0.9
137.09636	0.9
137.90147	0.5
139.07585	11.8
145.02890	83.8
146.03204	3.2
147.04448	7.2
153.09148	2.6
159.04431	0.5
162.03197	0.9
174.03172	1.8
175.03969	6.3
176.04297	0.7
181.08688	0.7
187.07602	1.0
202.02753	0.5
203.03482	8.8
204.03903	0.7
204.24646	0.5
225.09210	0.9
241.12418	2.5
255.13907	3.6
283.13452	15.5
284.13815	1.2
296.78625	0.5
327.12439	100.0
328.08905	0.7
328.12775	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	327.1457
Annotation	Rhododendrin
Peak:m/z	Relative Intensity
55.01764	4.3
57.03346	5.0
58.00480	3.1
59.01264	50.4
68.82549	0.7
69.03342	1.2
70.24561	3.5
71.01270	100.0
72.01607	1.4
72.99200	4.6
73.02837	27.0
74.03167	0.9
75.00778	2.4
81.03342	1.2
83.01273	10.8
84.02054	2.2
85.02841	41.6
87.00787	5.1
89.02341	22.8
95.01283	7.8
97.02843	2.3
98.20508	0.8
99.00787	13.0
101.02345	58.7
102.02660	1.7
107.04932	8.7
113.02357	41.9
119.03424	7.0
119.04942	0.9
121.02867	1.6
123.04446	4.7
125.02386	1.6
127.00307	3.2
129.01854	2.7
130.65536	0.7
131.03418	1.2
133.02875	0.9
135.04483	1.5
143.03429	5.1
147.04517	1.0
147.08081	11.2
149.02374	1.1
149.06032	0.8
159.02908	8.5
161.02361	2.3
161.04507	41.2
162.04794	1.2
165.05527	1.7
165.09160	36.1
166.09488	2.1
179.03514	1.8
179.05547	1.1
196.64046	0.8
203.03394	1.1
205.03566	2.4
255.35201	0.9
280.24100	0.9
285.09811	1.2
305.09003	0.8
327.14548	57.3
328.14920	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	327.073
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00071	1.1
57.03312	1.5
58.00479	1.5
59.01257	4.0
67.01765	1.3
67.51733	1.2
67.62796	1.3
69.44544	6.8
69.44957	2.4
71.01273	6.4
72.99194	20.7
73.02847	2.8
75.00766	9.7
83.01260	2.0
84.02060	100.0
85.02373	1.9
85.02840	13.9
87.00768	3.2
89.02348	1.4
96.02956	1.2
98.05012	1.1
98.20619	2.1
99.04418	53.1
100.04736	1.3
101.02346	3.6
111.00787	6.4
121.02873	25.4
123.04413	1.6
128.01065	3.8
129.01846	3.6
143.03427	17.5
149.02409	1.0
153.39810	1.1
156.18495	1.1
161.04500	85.9
162.04860	3.1
173.00873	6.0
187.02449	3.1
187.34239	1.1
192.26160	1.1
205.03537	18.4
205.05385	1.3
297.09769	1.8
312.11984	4.7
326.58459	1.2
327.07349	2.5
327.14594	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	327.1093
Annotation	Paeonoside
Peak:m/z	Relative Intensity
55.01770	1.1
57.03329	1.1
58.00470	1.0
59.01267	35.0
69.44653	3.0
69.45081	3.8
71.01270	20.7
72.99196	4.4
75.00753	1.0
82.97871	0.8
83.01279	0.9
84.02082	3.9
85.02828	4.3
87.00758	0.7
88.39471	0.7
89.02341	16.1
95.01266	1.3
98.08215	0.8
99.04407	2.2
99.54576	0.8
101.02354	12.8
113.02346	7.8
119.03440	7.7
119.04945	3.9
121.02874	2.0
123.04462	1.6
137.23720	0.8
143.03406	1.4
147.04459	100.0
148.04837	4.2
150.98515	0.8
161.02386	1.5
161.04550	3.6
163.30098	0.8
165.05530	15.6
166.05927	0.9
327.10941	82.1
328.11282	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	327.1093
Annotation	Paeonoside
Peak:m/z	Relative Intensity
55.01764	0.5
55.97997	0.4
56.40059	0.4
57.19331	0.4
59.01263	4.9
63.40239	0.4
64.15910	0.4
69.63046	2.7
71.01266	4.6
73.02831	1.5
75.00754	0.5
78.73945	0.5
83.01277	0.7
84.02045	0.4
85.02844	3.1
89.02351	1.6
93.03345	0.7
95.01281	0.6
98.20528	0.7
99.00762	0.8
101.02338	2.9
107.04951	0.4
111.00843	0.4
112.67815	0.4
113.02340	1.9
119.03504	0.4
119.04958	5.4
121.02872	0.7
121.06464	0.9
123.04370	0.5
129.01907	0.8
129.03391	7.2
130.04179	0.9
133.66623	0.4
134.62370	0.4
135.04475	0.7
145.02936	0.4
146.03676	1.4
147.04457	50.4
148.04788	2.4
161.04483	2.1
163.03900	0.6
164.04549	0.5
165.05524	100.0
166.05859	3.0
211.15732	0.4
327.07202	0.6
327.10971	5.5
327.14548	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	327.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
59.09855	0.3
70.88791	1.1
93.03345	1.9
109.02856	0.3
111.04467	0.8
117.03375	15.3
118.03661	0.5
119.04935	1.9
121.02845	0.4
137.09657	0.5
145.02887	100.0
146.03206	4.3
163.03941	0.7
181.08626	0.4
189.05539	9.2
190.05923	0.6
192.59880	0.3
252.98723	0.3
282.52460	0.3
282.90732	0.3
283.13461	30.0
284.13788	2.3
327.12445	25.1
328.12787	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	327.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56092	0.4
53.56351	0.4
53.78204	0.4
60.31782	0.4
70.76367	1.0
70.76698	0.6
71.74057	0.5
84.02106	0.8
93.03364	1.8
93.42268	0.5
117.03375	25.8
118.04247	0.6
119.04947	31.6
119.98312	0.4
120.05272	1.4
121.02880	6.6
123.04422	1.3
125.09639	0.8
129.03389	1.0
131.04961	0.6
133.02887	1.3
135.08110	1.1
137.09647	0.9
139.07571	8.9
145.02888	86.2
146.03212	4.4
147.04472	7.6
153.09166	2.0
158.07274	0.8
159.04488	0.5
162.03223	1.1
163.03963	21.3
163.07732	0.6
164.04314	0.7
173.02417	0.7
174.03214	1.1
175.03960	7.0
181.08722	1.4
187.07639	1.1
193.13261	0.5
203.03484	7.6
214.95248	0.5
216.51363	0.6
225.09251	1.3
241.12361	2.1
250.68547	0.4
255.13898	3.1
283.13486	13.8
284.13834	1.6
327.12445	100.0
328.12787	10.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
56.32507	0.7
57.03328	1.7
59.01262	4.4
63.56151	0.8
67.26705	0.7
70.72985	0.7
71.58178	1.2
83.04928	1.4
97.06515	0.9
101.02349	1.4
121.10155	5.2
123.08076	2.3
125.09657	1.8
139.11218	9.1
149.09612	2.1
151.11226	12.5
155.10695	2.0
165.12831	1.0
167.10677	0.8
171.10226	33.6
172.10561	1.4
177.12814	5.7
183.01175	9.2
183.10242	11.4
183.95520	0.8
193.07091	1.3
195.36800	0.7
197.02609	1.8
205.16031	1.0
231.21338	1.0
249.22507	0.8
275.20193	12.2
276.20630	0.9
282.67703	0.9
293.21329	5.7
293.27963	0.8
307.22845	22.5
307.26221	1.5
308.23242	2.6
325.18445	18.1
325.23917	100.0
326.18976	2.1
326.24216	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.0728
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03340	0.6
58.00473	1.3
59.01248	1.1
67.01763	0.8
71.01273	2.7
71.06445	1.1
72.99200	12.8
73.02842	2.0
75.00765	6.6
78.05920	0.5
83.01279	0.9
84.02061	100.0
85.02390	1.5
85.02847	5.6
87.00783	2.1
89.02363	0.6
99.04420	45.5
100.04760	1.0
101.02348	0.7
111.00800	1.6
113.02363	0.5
121.02876	18.0
123.04406	2.7
128.01054	2.5
129.01845	1.5
133.02887	0.8
135.04478	0.6
143.03433	17.9
143.04555	0.9
145.01312	0.8
150.03151	2.1
150.04202	0.5
151.03627	0.5
161.02348	1.6
161.04503	53.9
162.04880	1.6
165.05501	2.6
173.00865	4.5
179.03423	0.7
187.02495	0.8
191.07143	0.7
203.03508	0.5
205.03523	14.0
206.03786	0.6
220.89224	0.4
255.26132	0.5
327.07492	2.1
328.07913	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2178
Annotation	12alpha-Methylpregna-4,9(11)-diene-3,20-dione
Peak:m/z	Relative Intensity
59.01258	4.8
69.43416	7.1
69.99393	0.8
96.06551	0.9
106.06740	0.8
109.10970	0.8
114.33248	0.9
119.05009	1.0
141.62271	0.8
149.09662	91.6
150.10028	4.6
163.11234	97.9
164.11569	5.8
182.99678	1.4
183.01186	15.2
184.01768	1.0
185.75218	0.9
188.30313	0.9
193.07251	1.0
197.02634	1.4
278.44366	0.9
325.18372	24.8
325.21765	100.0
326.18704	2.6
326.22113	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	325.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07796	0.6
53.33347	0.5
56.72722	0.6
59.01273	3.2
69.50961	5.7
82.88126	0.6
83.04945	0.7
93.77476	0.6
97.06481	1.2
99.08076	1.3
110.88878	0.6
112.38600	0.7
113.09622	3.1
121.10159	2.5
125.09665	1.3
127.11221	1.8
137.09636	2.7
139.11218	45.4
140.11554	1.5
141.93843	0.7
149.09564	0.9
151.11169	0.8
153.09166	2.0
153.12779	0.8
155.10794	0.9
159.11819	0.7
163.11232	1.2
167.10748	1.8
169.26775	0.6
171.10216	25.5
177.12820	9.4
183.01163	4.2
183.10263	1.0
185.11694	0.8
188.12576	0.7
197.02769	5.2
197.11909	0.8
218.02907	0.7
230.02663	0.8
231.21191	0.7
247.07071	0.6
249.22266	1.0
249.60797	0.7
251.15594	0.7
275.20209	5.8
277.21835	0.7
293.21280	14.6
294.21573	1.3
307.19315	1.1
307.22864	18.6
308.23090	2.2
325.18506	22.2
325.23914	100.0
326.18863	2.6
326.24261	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	325.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03332	8.1
58.00496	1.8
59.00994	1.9
59.01267	23.9
69.03342	3.2
71.01266	5.2
71.04912	8.3
71.59216	1.5
73.02819	2.0
75.92376	1.1
80.02573	2.3
81.03352	1.6
83.04916	5.3
84.02059	2.3
85.02820	2.1
85.06483	4.9
87.04395	3.3
91.05415	2.0
93.03348	1.6
95.04894	2.4
97.02870	6.9
97.06492	5.9
101.02324	3.0
102.67194	1.1
107.04941	3.0
109.06503	36.7
113.02346	1.4
119.04972	2.3
121.02893	1.6
123.08076	1.7
125.06006	4.4
127.07584	2.0
139.26772	1.1
151.11229	2.8
153.12785	2.5
161.04491	1.7
163.03920	1.3
163.07613	1.1
167.10765	2.2
167.14337	1.3
169.12338	8.6
177.12845	1.7
179.10738	1.4
181.12323	5.1
183.13881	3.9
193.07085	1.7
193.12309	3.1
195.13893	1.4
197.11809	68.6
198.12123	3.7
199.13388	7.6
201.08716	1.1
207.13808	1.8
209.11760	2.7
211.13400	35.5
212.13708	3.4
219.13899	2.3
227.12941	3.9
231.13869	1.9
235.13367	6.0
237.15016	6.8
249.14946	4.1
265.12930	1.9
289.18088	4.3
307.19238	5.0
325.20261	100.0
326.20554	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	325.2028
Annotation	Dinor-PGF2alpha
Peak:m/z	Relative Intensity
57.03342	5.8
57.38076	0.9
58.00476	2.3
58.27600	0.8
59.01276	5.6
60.17410	0.8
69.03339	1.0
71.01276	1.6
71.04907	1.0
71.44524	1.4
71.44851	1.1
80.02579	1.5
83.04906	2.6
84.02078	1.2
85.02824	1.2
87.04392	2.3
97.06489	1.9
109.06514	3.1
111.08068	21.7
123.08076	3.2
125.06009	2.0
125.09640	25.8
127.11197	11.9
135.08107	1.4
137.09659	7.2
139.11217	1.9
141.09160	2.9
151.11259	3.7
153.09174	4.7
155.10713	3.8
164.08412	1.6
165.09128	4.5
167.10762	2.3
169.12244	2.3
171.10220	13.3
177.09224	1.2
177.12935	1.1
181.12285	1.3
183.10251	2.3
194.33926	0.9
195.10211	5.7
197.11784	4.6
199.09734	3.5
201.11301	75.6
202.11548	2.6
211.13414	4.8
213.11319	49.5
214.11603	1.6
227.12871	2.2
237.14955	2.8
245.19110	1.8
255.16278	1.0
263.20093	1.6
271.17072	1.0
289.18170	19.0
290.18573	1.7
307.19235	41.7
308.19586	4.5
325.20276	100.0
326.20679	9.0
349.15012	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2028
Annotation	Albocycline M-6
Peak:m/z	Relative Intensity
54.36660	1.3
56.48622	1.5
57.03338	7.1
59.01265	26.7
65.03841	3.2
67.01770	1.9
69.03334	2.9
71.01267	2.2
71.04894	5.8
71.38939	2.8
71.39268	2.0
78.27213	1.9
79.05406	2.7
81.03342	4.6
83.04914	10.8
84.02049	3.5
85.02848	3.2
85.06465	2.7
85.42194	1.6
87.04399	1.7
93.03369	3.0
95.04903	7.0
97.02869	4.5
97.06475	12.9
101.09789	1.4
106.04131	4.3
109.02834	1.5
109.06508	3.2
110.97698	1.4
111.04420	4.1
113.06014	1.8
115.07565	4.2
117.03371	1.6
119.04935	4.2
119.08545	1.6
121.06470	2.8
123.04445	4.5
123.08065	6.5
125.09634	6.9
127.07616	2.4
135.08055	5.6
137.09654	2.0
145.02901	7.5
147.33124	1.6
151.11310	1.9
153.09131	4.7
161.04564	1.5
163.07576	3.2
163.11224	7.2
165.12698	1.9
171.10220	37.5
181.12384	1.6
185.11781	5.7
189.13054	1.4
191.14380	6.0
193.12326	7.9
197.11789	1.6
205.15904	3.5
207.10217	3.3
209.11835	19.9
211.13365	9.9
221.11858	2.3
223.13423	3.1
225.11391	2.2
227.12878	3.6
231.13957	2.4
235.13428	2.5
237.15089	3.0
245.19099	8.5
247.32829	1.5
249.14986	19.3
254.08855	1.5
267.16025	6.6
289.18164	18.3
290.18411	2.5
307.19302	10.7
325.20261	100.0
326.20712	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	325.0937
Annotation	4-O-beta-D-Glucosyl-4-hydroxycinnamate
Peak:m/z	Relative Intensity
53.73309	0.3
59.01252	0.4
66.25909	0.3
71.13730	0.9
83.77432	0.3
88.66159	0.3
117.03370	0.8
119.04946	100.0
120.05273	3.9
145.02881	2.2
150.25140	0.3
151.23509	0.4
163.03960	63.8
164.04301	2.8
271.27646	0.4
325.09155	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0934
Annotation	CHEBI:76092
Peak:m/z	Relative Intensity
59.01263	6.7
71.01270	3.4
85.02863	1.2
89.02352	2.2
101.02346	2.0
111.36310	0.4
113.02370	1.3
117.03375	20.7
118.03713	0.8
119.03452	0.7
119.04945	5.5
135.04419	0.9
145.02885	100.0
146.03233	4.7
156.73035	0.5
159.04433	0.6
161.04442	0.6
161.06013	1.1
163.03952	13.9
164.04311	0.7
179.03493	0.7
187.03987	3.5
205.05099	1.7
206.01451	0.6
207.66003	0.5
235.06166	1.1
265.07242	1.3
325.09418	7.2
326.09830	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	325.2028
Annotation	Dinor-PGF2alpha
Peak:m/z	Relative Intensity
54.43971	0.4
57.03339	4.4
58.42479	0.5
59.01260	6.8
60.13211	0.4
65.42733	0.4
69.03328	1.2
70.75180	1.0
70.75517	0.5
71.01263	1.3
71.04916	2.7
73.02815	0.9
80.02563	6.8
81.03341	0.7
83.01299	0.4
83.04913	0.7
84.02051	6.6
85.02823	0.9
89.02259	0.4
91.83427	0.4
93.03373	0.7
95.01293	0.4
95.04907	1.5
95.96815	0.4
97.02817	0.5
97.06486	9.4
99.08044	0.8
101.02344	0.7
111.08076	0.8
113.09605	2.2
115.07593	0.6
119.04970	0.6
119.08590	0.4
121.02837	0.5
123.08085	5.2
125.09640	70.9
126.09994	2.6
127.11225	3.1
134.19658	0.4
135.04494	0.9
135.08104	0.9
137.09651	37.1
138.09981	1.4
139.79628	0.4
141.09129	1.4
142.02722	0.6
149.09642	0.9
151.11263	0.7
153.09160	4.6
153.18414	0.4
154.10004	0.4
155.10719	10.7
161.17902	0.4
163.03899	0.6
163.07574	0.5
163.11275	0.5
164.08417	1.7
165.12784	0.8
167.14336	0.6
169.08662	2.3
171.10240	6.7
181.12250	0.5
187.09740	3.1
191.10721	1.0
193.07191	0.6
199.09778	0.5
201.11308	1.2
209.11832	5.1
213.11282	0.7
227.12917	2.9
245.19223	1.1
249.18625	1.2
250.12125	1.4
253.18123	1.4
263.20258	0.9
265.13040	0.7
265.18246	0.5
279.19778	3.1
281.21310	3.3
289.18182	7.4
290.18475	0.8
290.21509	0.5
297.20816	0.6
307.19220	100.0
308.19543	8.1
325.14606	0.7
325.20346	16.2
325.23816	1.4
326.20639	1.5
329.07651	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77929	2.3
55.51867	2.9
58.87386	2.5
59.01265	67.3
63.95564	2.5
71.01280	6.4
71.58991	3.7
83.04928	4.2
84.46938	2.6
85.02849	3.6
89.02335	4.9
107.08661	2.6
111.08029	4.9
113.02332	5.4
119.08569	7.0
128.69228	2.2
134.33983	3.0
151.11208	9.4
161.04575	4.6
169.12267	2.5
171.10181	15.0
181.12286	5.9
187.54611	2.8
197.11798	45.7
209.11880	4.6
213.14943	9.6
220.14682	2.8
223.54698	2.5
225.15007	7.1
229.19708	3.6
229.61768	2.8
235.15141	4.0
241.14452	4.4
273.18738	14.1
274.19022	3.0
291.19769	35.1
305.21304	16.2
312.15839	3.0
323.09692	4.0
323.16827	12.8
323.22333	100.0
324.22586	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	323.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01000	2.0
59.01267	24.6
69.03310	1.3
70.82910	1.2
71.01236	1.8
71.04906	1.1
83.04929	1.6
85.02830	2.3
85.06525	1.1
89.02348	1.3
97.06454	1.4
101.02359	1.9
109.06483	1.2
110.63796	1.0
111.08066	3.2
111.52433	1.1
113.02339	1.7
119.08574	1.5
123.08119	2.0
125.09641	3.1
137.15202	1.0
149.09636	1.6
151.11179	3.0
161.04405	1.3
165.09146	1.3
165.12779	2.4
165.21027	1.0
171.10262	2.9
177.12793	1.7
181.12334	3.8
193.12334	1.2
197.11803	24.6
207.13991	1.5
209.11714	2.0
213.14980	2.8
225.15047	2.3
229.19633	1.9
237.14993	5.8
239.12912	1.9
241.14470	3.6
244.13120	1.3
247.20775	2.1
263.11526	1.8
273.18707	7.1
291.19742	32.9
292.20135	3.9
305.21277	5.8
308.20096	2.7
323.16605	2.9
323.22351	100.0
324.22696	13.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0936
Annotation	4-O-beta-D-Glucosyl-4-hydroxycinnamate
Peak:m/z	Relative Intensity
68.24014	0.3
68.76096	0.3
70.35696	0.6
70.36106	0.9
71.01270	2.5
73.02828	0.9
85.02848	1.0
91.05426	1.4
99.00771	0.4
101.02348	1.7
101.03870	6.0
113.02374	1.1
117.03369	3.0
119.04944	100.0
120.05268	4.9
125.02518	0.3
161.04518	1.5
163.03983	2.6
175.57074	0.3
271.73438	0.3
325.09290	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1863
Annotation	Hynapene A
Peak:m/z	Relative Intensity
57.03328	6.0
58.00446	1.6
59.01263	41.2
66.67513	1.3
69.03339	2.0
69.57639	9.9
71.01258	4.6
71.04920	1.6
73.02854	3.6
75.99077	1.2
80.02553	8.7
81.03355	4.3
83.04928	1.9
84.02046	3.1
85.02843	3.1
87.04396	1.7
87.21872	1.2
95.04933	3.1
97.06503	12.7
98.03632	1.6
101.02347	2.9
106.04140	4.5
107.04925	3.4
107.05649	1.3
107.08581	1.8
108.02079	4.1
109.06500	58.9
110.06809	1.8
113.02341	1.8
117.02655	1.2
117.03364	8.4
119.03468	1.5
119.04935	1.6
121.02872	4.7
121.06494	3.9
123.08085	26.2
125.09645	90.3
126.09979	2.7
127.11198	9.1
133.06465	1.4
135.04477	2.1
135.08092	56.3
137.09659	4.3
139.83073	1.5
141.09193	2.9
145.02901	22.8
149.09683	1.8
151.07555	3.5
151.11234	2.9
152.08224	1.2
153.09158	15.8
155.10670	4.5
161.04616	1.8
161.06033	7.7
162.06792	1.5
165.01813	1.5
165.09091	3.1
167.10715	2.6
168.22290	1.5
169.08632	4.2
169.12247	1.8
171.10219	13.1
183.10153	1.9
187.09714	6.9
195.10327	3.9
199.09785	9.1
201.11307	80.6
202.11646	3.3
206.13109	1.6
209.11873	5.4
213.11328	66.2
214.11635	2.4
219.07100	1.5
227.12889	4.4
243.17584	2.2
250.12093	9.8
261.18579	1.8
269.15488	2.6
277.18378	3.2
287.16608	62.4
288.16913	5.2
305.17645	100.0
306.17963	5.6
306.21045	2.2
323.09348	2.8
323.18713	52.4
324.19086	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	325.0935
Annotation	4-O-beta-D-Glucosyl-4-hydroxycinnamate
Peak:m/z	Relative Intensity
59.01269	5.5
69.08365	0.6
71.01271	4.1
71.49747	0.7
71.50097	1.2
73.02855	1.3
84.29138	0.6
85.02854	2.2
89.02342	1.1
97.26582	0.6
99.00777	0.7
101.02378	3.4
101.03864	5.8
113.02368	1.7
117.03397	1.8
119.04946	100.0
120.05301	4.5
128.63202	0.7
161.04507	2.2
163.03970	15.6
325.09155	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1355
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	1.3
56.46344	0.9
57.03334	1.3
58.00464	3.6
59.01263	86.9
70.79773	2.2
71.01268	49.2
72.99194	4.1
73.02838	1.0
83.01273	3.0
85.02832	9.3
87.00777	1.3
88.50906	0.8
89.02335	49.3
95.01292	3.9
99.00727	1.4
99.08064	0.9
101.02347	37.0
107.20067	0.8
113.02347	20.9
119.03416	23.7
124.81959	0.9
125.02313	1.3
131.03383	2.1
135.04405	1.5
137.02350	1.4
143.03456	1.9
143.07047	0.8
146.71397	0.7
149.04497	1.1
161.02426	1.0
161.04515	1.7
161.08156	1.7
179.03471	2.8
179.05580	2.6
194.05692	1.0
203.98947	1.0
209.08197	1.3
287.06027	0.8
323.13535	100.0
324.13867	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35413	1.5
55.01775	2.6
59.01267	50.3
60.88033	1.6
69.03339	6.3
71.01264	6.6
71.57819	2.8
74.48269	1.7
79.01790	11.6
81.03345	8.4
83.01270	4.8
83.77916	1.3
85.02847	3.0
87.00712	1.6
89.02344	2.9
95.01282	12.5
96.95905	1.6
97.02862	9.5
101.02329	2.8
107.01289	9.1
113.02328	2.1
121.02895	2.6
123.00843	1.7
124.01586	100.0
125.02385	39.8
131.03412	1.4
161.04480	3.1
195.13835	3.6
197.11810	2.0
225.55580	1.5
261.15027	35.8
262.15408	2.7
263.11371	2.5
286.18915	1.4
323.15100	26.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.0929
Annotation	Moracin K
Peak:m/z	Relative Intensity
53.75891	0.5
53.96992	0.5
59.01263	6.9
66.97391	0.5
69.42169	0.5
70.97628	1.2
70.97969	1.0
71.01290	1.0
74.94117	0.6
75.14231	0.6
85.88634	0.5
91.01776	0.6
93.03371	2.2
93.46239	0.6
95.01325	0.7
95.04890	0.7
101.02328	0.7
108.02070	0.7
117.03377	100.0
118.03577	1.4
118.04205	2.6
119.04971	0.8
119.05743	0.6
121.02876	72.4
122.03207	2.7
123.03542	1.3
123.04443	25.5
132.02094	1.4
133.02875	14.9
134.03691	6.9
145.02888	5.6
146.40874	0.6
149.02390	1.4
161.04538	0.6
162.03175	55.0
163.03537	3.0
171.10245	0.7
210.06892	1.4
211.07619	0.8
239.07121	3.9
279.10306	9.2
280.10663	1.1
306.20694	1.1
323.09317	65.9
324.09695	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	323.0992
Annotation	Levofuraltadone
Peak:m/z	Relative Intensity
52.94664	0.4
53.28110	0.4
58.00468	0.7
58.51484	0.4
59.01264	18.3
60.99184	0.5
64.56626	0.4
65.00453	0.5
67.01784	2.2
69.03337	0.7
71.01272	16.6
71.23430	0.9
72.99210	1.2
73.02827	0.9
78.95821	2.2
80.02596	0.4
81.03362	0.9
83.01236	0.8
83.04919	0.8
85.02843	4.0
87.00776	3.0
89.02340	13.7
93.03363	17.8
96.95911	0.7
96.96877	2.6
99.00761	0.6
99.04424	0.6
100.34914	0.5
101.02343	2.1
109.02883	2.4
109.03541	0.5
111.00846	0.7
111.04439	4.4
113.02336	1.5
115.00301	0.6
119.03462	0.5
125.02367	1.9
127.03947	1.8
131.03427	1.6
133.01355	0.8
137.02371	4.4
141.01892	0.5
145.01352	0.8
149.04486	0.9
153.01831	0.6
155.03433	3.9
159.67068	0.5
169.01323	0.9
171.02940	1.3
173.04515	53.3
174.04861	2.4
191.05582	8.0
305.05237	1.4
323.09903	100.0
324.10272	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	323.099
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03349	1.0
58.00477	1.0
59.01266	35.5
60.99207	1.1
67.01759	4.2
71.01270	20.9
71.58110	1.6
72.26223	0.9
72.99196	2.5
73.02854	1.0
78.95798	3.3
80.17038	0.8
81.03352	1.2
83.04914	2.0
84.12950	0.9
85.02849	6.1
87.00774	2.9
87.04363	1.1
89.02340	19.3
93.03357	34.0
96.96879	1.1
99.00766	1.1
101.02333	4.2
109.02856	1.8
111.00814	1.1
111.04447	5.5
113.02338	3.1
119.03440	1.0
127.03930	1.6
131.03506	1.2
137.02359	5.6
143.03412	1.2
149.04492	2.6
155.03452	4.4
173.04517	58.4
174.04834	3.0
187.36758	1.1
191.05577	8.9
211.00185	1.2
290.31586	1.0
323.09921	100.0
324.10196	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	323.078
Annotation	Skimmin
Peak:m/z	Relative Intensity
52.94318	0.3
59.01265	3.3
59.40173	0.3
63.78899	0.3
69.77988	1.2
69.78399	0.6
71.01294	0.7
77.06408	0.3
84.47227	0.3
89.02348	0.4
93.03358	0.5
95.04980	0.5
98.20500	0.3
100.73338	0.3
101.02364	0.8
101.25195	0.3
107.04930	0.8
123.04456	1.2
125.02331	0.4
127.00299	0.6
133.02841	1.5
134.03682	2.7
135.04454	83.1
136.04802	3.6
137.02390	0.5
143.03424	0.6
149.02336	0.4
155.03511	0.4
161.02376	3.5
167.03433	0.4
177.01979	0.3
179.03465	100.0
180.03806	4.5
203.03658	0.4
272.34808	0.3
323.07739	4.5
323.11185	0.5
324.08185	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1563
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01766	0.9
58.00468	3.5
59.01268	70.2
62.79926	0.8
68.03739	0.7
71.01274	43.3
71.04931	1.1
71.56467	1.2
72.99200	3.7
73.02833	1.5
83.01293	2.7
85.02849	7.0
87.00790	1.0
89.02341	40.3
91.04564	0.7
95.01299	3.1
99.00781	1.7
101.01697	1.9
101.02351	29.1
101.16360	0.9
102.02649	0.9
113.02357	14.2
113.09636	1.6
119.03423	18.8
121.52039	1.0
127.98464	0.8
131.03432	1.5
141.09135	11.6
142.45229	0.8
143.03419	2.2
149.04431	1.0
152.62428	0.8
159.10187	6.7
161.04469	1.0
168.45804	1.0
179.05617	1.5
213.05261	1.0
321.15637	100.0
322.15894	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	321.0623
Annotation	Leucodelphinidin
Peak:m/z	Relative Intensity
50.01962	4.6
51.09395	4.9
51.69312	4.7
51.74681	5.4
54.84764	4.4
55.54582	5.0
56.53172	4.3
59.01263	19.4
64.89294	4.7
68.99709	6.8
69.03337	7.8
71.01268	14.6
71.57288	7.6
73.02821	5.7
81.03343	13.0
83.01279	11.6
85.02849	33.1
85.13116	4.7
89.02366	4.7
90.26157	5.6
93.03348	11.1
95.01289	10.6
97.02873	9.9
99.00786	12.6
109.02867	74.0
110.03223	4.9
111.00797	48.9
113.02389	6.0
121.02854	19.4
123.00804	22.7
123.04444	27.0
125.02371	65.4
131.04974	5.6
135.04439	8.4
137.02386	33.2
138.03050	5.2
139.00304	30.3
139.03906	11.7
140.01108	5.9
141.01938	23.3
149.02361	55.7
151.03967	12.3
153.01869	100.0
154.99821	21.3
161.02403	15.5
163.03960	10.3
165.01875	12.1
166.02669	7.3
167.03438	11.5
173.06070	5.2
175.03955	15.5
177.01866	19.0
181.01385	9.3
181.05130	5.9
183.02820	10.0
193.01450	5.4
195.03030	7.7
199.03932	5.7
205.05098	9.3
215.07159	6.0
217.05060	24.4
231.03072	6.3
233.04510	9.0
235.06236	6.7
241.05112	7.8
241.42102	4.9
259.06058	10.3
275.05734	11.2
279.14563	21.2
285.04022	12.1
303.05231	24.4
321.06232	74.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0829
Annotation	4-Coumaroylshikimate
Peak:m/z	Relative Intensity
55.01760	0.5
57.02747	0.4
58.90649	0.5
59.01274	0.8
65.03850	1.4
70.40341	0.4
71.01293	0.9
72.99200	0.5
73.02846	2.0
81.03362	1.7
83.04916	4.8
84.02075	0.5
85.02831	0.7
88.97833	0.4
93.03359	31.9
94.03697	0.9
99.00797	0.6
99.04429	0.6
102.05502	0.4
109.02841	0.8
111.04428	11.6
117.03364	5.1
119.04945	89.0
120.05292	2.4
121.02948	0.8
133.86472	0.5
135.04486	1.1
137.02376	25.5
138.02713	0.8
143.03445	0.5
145.02892	19.0
146.03221	0.5
149.02388	0.7
151.03909	0.4
155.03436	23.9
161.02365	0.4
163.03957	100.0
164.04311	4.1
173.04463	1.6
177.01921	1.2
179.03395	0.8
223.04544	0.5
319.08295	21.7
319.59366	0.7
320.08685	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	320.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01801	4.4
54.86266	1.8
57.03326	3.2
59.01266	19.9
60.48078	2.1
64.14317	1.6
64.56096	1.9
69.03340	2.9
71.01244	2.4
71.58133	3.0
73.55446	1.6
76.58644	1.8
81.03342	2.8
82.02824	1.9
83.04897	3.7
85.02826	9.4
93.03357	3.9
95.04893	5.2
96.00815	34.1
97.06478	4.0
98.06018	25.4
105.41400	2.2
106.04134	6.3
106.64619	1.9
107.03685	5.2
107.04920	6.1
108.04460	63.0
109.04790	2.7
109.06522	14.1
110.02378	7.4
110.06039	3.2
124.03952	5.5
124.07597	2.8
125.04753	31.9
128.01250	1.7
135.06903	3.0
135.08083	4.3
136.07584	3.6
138.03093	2.5
140.67314	1.7
141.01541	1.8
145.02890	3.3
146.03230	3.2
147.03403	4.0
147.08015	1.9
148.03700	2.1
149.03835	2.0
149.09622	4.4
151.78375	1.8
154.06270	3.4
154.41179	1.8
174.09187	2.3
175.11237	2.1
177.12810	20.2
187.11223	1.9
189.12785	2.4
190.12341	2.0
190.28561	1.8
193.12236	1.9
195.13889	100.0
196.14229	4.7
203.10680	11.2
203.14342	9.7
221.11862	12.5
221.15463	10.4
229.12390	2.4
233.62836	1.6
239.12860	8.6
241.16029	3.2
242.15379	2.6
243.17570	7.6
247.13470	14.0
258.18677	14.9
259.18887	2.4
262.66626	1.9
265.14395	4.5
266.15424	2.5
276.19702	5.7
284.16608	13.1
287.16602	88.4
288.16812	11.7
289.18146	4.5
290.18976	6.4
302.17746	16.0
303.18277	1.9
320.18777	53.9
321.18942	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	319.083
Annotation	4-Coumaroylshikimate
Peak:m/z	Relative Intensity
59.01265	2.3
59.75127	0.6
65.03854	1.3
71.01276	2.1
73.02839	3.1
81.03354	1.9
83.04916	5.1
85.02850	1.5
93.03363	35.4
94.03713	0.9
95.01320	1.0
98.19766	1.2
99.00787	0.7
99.04452	0.7
101.02371	1.0
109.02863	1.4
111.04430	13.8
113.02370	0.8
117.03384	7.3
119.04948	98.3
120.05288	3.8
121.02923	0.7
123.04433	0.7
133.02904	1.4
135.04449	3.1
137.02377	28.9
138.02701	1.6
145.02898	21.6
155.03448	25.0
161.02379	2.4
162.53862	0.6
163.03960	100.0
164.04315	4.5
173.04556	1.5
179.03481	2.0
203.03520	1.2
224.91588	0.7
231.93028	0.6
265.43640	0.6
318.71530	0.7
319.08310	20.4
319.59570	0.9
320.08688	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0555
Annotation	Prekinamycin
Peak:m/z	Relative Intensity
54.72494	0.1
59.01260	0.5
63.96132	0.5
69.03345	0.4
71.01270	4.2
71.57735	0.2
72.99197	0.3
73.02831	1.1
74.11090	0.1
78.95801	0.5
78.98476	2.8
79.95622	4.6
80.96408	36.3
81.03340	0.4
82.95986	0.2
83.01305	0.2
84.48040	0.2
85.02834	1.6
87.00774	1.8
94.97981	7.9
95.01295	0.3
96.95916	4.1
96.96856	0.3
97.02851	0.7
99.00782	0.3
99.04441	0.2
101.02353	1.0
106.97993	1.8
109.02821	0.2
113.02345	0.4
120.69022	0.2
122.97519	1.5
125.02374	1.8
127.03941	0.6
134.97491	2.8
136.99046	0.9
141.01881	0.3
148.13109	0.2
148.99092	3.1
149.99481	0.2
152.98579	3.4
153.01917	0.2
164.98576	6.2
167.00089	0.3
171.02969	0.2
191.05576	2.6
200.90393	0.2
206.99684	1.5
207.40541	0.2
219.01512	0.2
219.05174	0.2
225.00745	10.5
226.00964	0.3
280.87027	0.5
298.87561	0.3
317.05536	100.0
318.05875	4.5
318.09537	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	317.0554
Annotation	Unknow
Peak:m/z	Relative Intensity
56.47067	0.3
59.01254	0.9
63.96133	0.4
69.03340	0.7
71.01264	4.7
71.55164	0.3
71.55579	0.3
73.02840	1.1
73.76363	0.3
77.79282	0.3
78.95800	0.4
78.98481	2.9
79.95621	4.8
80.96410	39.1
81.03365	0.5
82.96004	0.4
85.02848	1.5
87.00783	1.7
94.97980	8.5
96.95914	5.5
96.96864	0.4
97.02849	0.8
99.00761	0.5
99.04400	0.4
101.02337	1.5
106.98004	2.1
109.48259	0.3
122.97509	2.0
125.02380	2.4
127.03921	0.5
134.97502	2.6
136.99066	1.1
148.99083	4.2
152.98578	4.5
164.98579	7.5
167.00003	0.4
191.05571	1.7
200.90404	0.3
206.99693	2.3
220.88278	0.3
225.00755	12.2
243.89435	0.3
280.87149	0.6
317.05539	100.0
318.05853	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	317.031
Annotation	3,5,8,3',4',5'-Hexahydroxyflavone
Peak:m/z	Relative Intensity
57.03342	3.2
57.06100	1.4
59.01268	1.8
63.02278	4.1
65.00207	7.4
69.41809	13.2
83.01288	9.4
95.01255	4.5
98.20559	2.8
107.01289	15.6
108.02085	1.4
109.02863	100.0
110.03219	3.1
111.00773	2.7
123.00837	3.0
124.01566	6.7
125.02365	13.2
133.02866	2.5
135.00801	9.7
137.02351	2.6
150.99139	2.9
151.00316	48.9
152.01106	23.3
153.01892	26.2
159.04414	1.9
161.02379	4.4
163.00325	52.7
164.00793	3.0
169.01393	5.1
175.03949	4.8
178.99811	31.4
180.00249	1.5
181.01390	1.7
183.04460	4.4
187.03990	2.0
189.01985	1.4
190.99838	36.5
199.03967	1.9
201.05510	1.4
203.03506	3.4
206.99350	22.7
207.03136	1.8
208.00146	13.0
211.03989	9.1
213.01996	2.3
217.04999	4.1
227.03526	16.0
231.02928	3.3
245.04539	3.2
255.02971	18.1
258.01605	2.4
271.02502	5.2
273.04022	4.7
299.02063	9.0
314.56119	1.4
317.03021	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0311
Annotation	3,5,8,3',4',5'-Hexahydroxyflavone
Peak:m/z	Relative Intensity
50.68843	1.0
51.44911	1.1
53.38898	0.9
57.03339	3.3
59.01259	3.2
63.02285	7.5
65.00209	10.1
67.01768	1.4
68.99712	1.5
83.01270	9.8
91.01819	1.9
93.03354	3.7
95.01303	8.8
107.01302	22.3
108.02135	2.0
109.02865	82.5
109.80819	1.0
110.03178	2.9
111.00795	7.4
121.02869	3.6
123.00800	5.4
124.01583	6.8
125.02369	18.9
133.02858	4.6
135.00819	7.1
135.04471	3.8
136.98730	1.5
137.02385	14.7
139.00316	10.3
139.03931	4.4
143.04965	1.4
145.02901	1.3
146.03308	1.2
149.02383	4.1
151.00320	54.4
152.01106	17.6
153.01895	24.2
154.02231	1.6
159.04463	2.9
161.02353	3.6
162.02737	1.2
163.00323	55.5
163.03976	2.0
164.01164	6.1
165.01907	3.0
166.99812	5.0
169.01349	7.0
171.04448	3.5
175.03955	4.6
178.99828	45.1
180.00206	2.6
181.01370	1.9
183.04460	2.6
185.02336	1.4
187.03943	3.6
189.01881	1.8
190.99852	38.5
192.00296	3.4
193.01401	4.2
194.99304	3.4
199.03932	5.7
201.01874	1.6
201.05557	2.5
203.03468	4.7
206.99327	27.9
207.01187	2.0
207.02931	1.1
208.00128	17.4
211.03975	7.3
213.01859	1.6
215.03491	2.9
217.05023	3.7
226.02765	2.0
227.03479	18.0
231.02969	4.5
243.02937	5.7
245.04648	6.1
255.03049	20.5
258.01660	1.4
259.87817	1.1
271.02557	19.6
271.05161	2.0
272.02924	1.5
273.04135	13.6
289.03571	1.9
299.02023	40.1
300.02524	4.5
316.16434	2.8
317.03058	100.0
317.16760	5.4
318.03418	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	317.031
Annotation	3,5,8,3',4',5'-Hexahydroxyflavone
Peak:m/z	Relative Intensity
56.87719	1.3
57.03334	2.3
57.63165	1.3
59.01267	11.2
63.02283	9.9
65.00217	9.9
67.01780	2.7
67.76469	1.3
68.99702	2.3
69.03336	1.7
71.01261	2.9
71.53371	2.7
71.53731	1.3
83.01296	10.1
91.01795	3.5
93.03358	18.4
93.33280	1.4
95.01294	9.2
96.99226	2.0
99.00777	16.4
107.01303	17.2
108.02073	2.5
108.57043	1.3
109.02874	13.2
111.00785	13.8
116.19099	1.4
117.03391	7.7
119.04931	2.4
121.02861	5.8
123.00811	17.2
123.04469	2.1
124.01576	3.8
125.02365	18.7
130.04149	2.2
133.02870	2.8
135.00778	7.8
135.04449	2.5
136.98676	1.7
137.02373	17.2
139.00302	13.4
141.01868	5.1
143.04964	3.1
145.02890	4.3
147.04422	3.5
149.02440	1.7
149.99541	3.3
151.00307	43.0
152.01080	9.0
153.01854	9.6
155.04984	2.7
158.03635	1.8
159.04410	7.5
161.02396	12.0
163.00322	10.4
164.01103	1.8
165.01875	4.1
166.99814	13.7
168.00461	5.2
169.01459	8.3
171.04471	4.8
173.06136	2.6
174.03194	2.3
175.03957	5.4
177.99025	4.0
178.99825	46.4
179.03392	1.7
180.00153	2.1
183.04488	4.6
185.02388	2.1
187.03960	7.5
189.01921	6.2
189.05440	2.7
190.99799	7.2
191.03462	2.7
192.00641	3.2
193.01361	5.0
194.99319	9.8
199.03992	6.1
201.05563	8.4
203.03485	7.5
206.99338	5.1
208.00224	2.6
211.03857	1.8
215.03456	2.5
217.01448	3.1
217.05099	9.0
219.02963	2.9
227.03575	10.1
228.04039	2.4
229.05048	9.0
231.02995	16.6
232.03513	2.1
243.03004	15.2
244.03745	6.3
245.01015	2.0
245.04538	6.5
255.03052	9.3
256.03705	2.3
261.04071	3.6
271.02560	19.4
272.03107	2.1
273.04129	7.6
283.02487	1.9
289.03616	14.6
299.02042	16.0
300.02533	2.4
300.86798	1.4
317.03070	100.0
318.03345	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	317.031
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03342	3.2
57.06100	1.4
59.01268	1.8
63.02278	4.1
65.00207	7.4
69.41809	13.2
83.01288	9.4
95.01255	4.5
98.20559	2.8
107.01289	15.6
108.02085	1.4
109.02863	100.0
110.03219	3.1
111.00773	2.7
123.00837	3.0
124.01566	6.7
125.02365	13.2
133.02866	2.5
135.00801	9.7
137.02351	2.6
150.99139	2.9
151.00316	48.9
152.01106	23.3
153.01892	26.2
159.04414	1.9
161.02379	4.4
163.00325	52.7
164.00793	3.0
169.01393	5.1
175.03949	4.8
178.99811	31.4
180.00249	1.5
181.01390	1.7
183.04460	4.4
187.03990	2.0
189.01985	1.4
190.99838	36.5
199.03967	1.9
201.05510	1.4
203.03506	3.4
206.99350	22.7
207.03136	1.8
208.00146	13.0
211.03989	9.1
213.01996	2.3
217.04999	4.1
227.03526	16.0
231.02928	3.3
245.04539	3.2
255.02971	18.1
258.01605	2.4
271.02502	5.2
273.04022	4.7
299.02063	9.0
314.56119	1.4
317.03021	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0309
Annotation	Unknow
Peak:m/z	Relative Intensity
55.62457	4.8
59.01244	5.0
63.02280	11.6
64.95071	4.6
65.00189	13.1
68.99689	8.4
70.51985	18.1
71.01263	7.0
72.99197	5.6
79.01777	9.2
83.01284	21.9
91.01788	11.8
93.03350	38.6
95.01263	27.8
99.00777	50.1
107.01283	33.0
108.02103	5.4
109.02884	25.8
111.00800	33.1
117.03358	24.0
119.04924	13.0
121.02861	14.7
123.00801	34.7
123.04416	8.4
124.01550	9.2
125.02341	19.4
131.04967	6.4
133.02888	7.3
135.00774	22.0
135.04410	10.0
137.02417	12.7
139.00310	31.7
141.01886	16.9
143.04938	6.2
145.02887	14.3
148.01759	6.7
149.02391	7.5
149.99524	5.8
151.00313	70.4
152.01016	15.6
153.01878	20.7
159.04453	11.7
161.02356	28.7
163.00314	15.8
164.16919	5.5
166.99806	27.2
168.00542	13.0
169.01352	15.2
170.11963	5.0
171.04456	9.9
177.99034	9.6
178.99849	64.6
179.03438	8.4
187.03958	15.3
189.01947	12.0
190.99806	12.6
192.05734	4.8
194.99274	21.0
201.05579	18.9
203.03528	9.1
206.99321	8.8
211.03918	5.8
217.04985	7.1
222.98750	7.5
227.03517	21.2
229.05060	18.3
231.03072	41.7
243.02972	17.2
255.03040	12.9
271.02432	14.6
273.04028	13.2
289.03598	18.9
299.02005	21.8
317.03067	100.0
317.10519	5.3
317.16568	9.2
317.19745	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	317.0309
Annotation	Norwedelic acid
Peak:m/z	Relative Intensity
57.03330	0.5
61.82297	0.4
63.02286	2.1
65.00214	1.7
66.82863	0.4
71.14606	1.0
74.17522	0.5
80.72282	0.5
83.01283	2.4
91.01809	0.6
95.01287	1.1
107.01292	4.2
107.93482	0.4
108.02070	1.3
109.02137	0.8
109.02860	10.4
119.04964	0.8
120.05254	1.0
121.02856	0.7
123.00819	0.5
124.01586	1.5
125.02370	4.0
132.16666	0.5
133.02881	4.0
135.00818	1.8
135.27814	0.4
136.01555	0.7
143.04951	1.4
145.02875	2.6
146.03236	2.2
147.00813	1.0
147.03410	0.8
151.00311	6.3
152.01067	1.8
153.01851	2.4
155.05035	0.5
157.02888	1.0
159.04453	1.1
161.02365	1.2
163.00319	6.5
163.03976	0.8
164.01164	0.5
164.04265	0.6
165.04477	0.4
171.04443	3.6
173.02345	0.9
175.03990	2.8
178.99821	4.1
182.03746	0.5
183.04462	1.1
185.02444	0.7
187.03960	1.7
190.99832	5.0
192.00175	0.7
197.65865	0.5
198.03166	1.5
199.03992	7.9
201.01927	3.3
201.05486	0.6
202.02599	0.6
203.03473	1.5
205.01228	0.6
205.05020	0.6
206.99335	3.6
208.00072	2.3
211.03931	1.0
214.02737	0.6
215.03464	3.3
226.02711	1.5
227.03488	7.2
229.05067	0.8
231.03111	0.9
242.02260	1.2
243.03047	4.3
245.04573	1.1
255.02985	4.0
262.15359	0.5
271.02536	56.1
272.02835	4.9
273.04108	4.6
299.02032	100.0
300.02386	9.4
316.16364	2.5
317.03076	9.2
317.16714	6.9
318.03467	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.182
Annotation	Geranyl beta-D-glucopyranoside
Peak:m/z	Relative Intensity
52.03246	0.4
55.01776	4.7
57.03355	1.7
58.00495	2.6
59.01267	68.4
60.01630	0.8
63.07800	0.6
65.70137	0.6
67.61353	0.5
69.03357	1.1
70.98122	0.5
71.01273	51.6
71.28028	1.1
72.01599	0.7
72.89943	0.5
72.99193	4.7
73.02837	84.3
74.03187	1.3
83.01281	7.9
85.02354	0.7
85.02850	11.7
87.00778	7.8
89.02342	14.1
95.01286	1.2
97.02833	1.5
99.00751	2.3
101.02351	49.4
102.02639	1.2
113.02364	4.9
117.03378	5.5
119.03441	13.5
119.04930	10.9
120.03757	0.5
121.02824	1.3
123.04369	1.1
124.69973	0.5
125.02247	1.1
133.02872	3.8
134.03535	0.7
135.04395	1.1
137.02254	1.7
143.03322	0.7
145.02892	21.5
145.03938	0.8
146.03195	0.9
151.11052	0.7
161.02187	10.6
161.04507	100.0
162.04857	2.9
163.03958	4.2
179.03198	1.5
215.92737	0.5
243.09666	0.6
300.02094	1.0
314.96011	0.5
315.14783	46.3
315.17511	35.9
315.21460	9.8
315.23282	3.5
316.15265	4.8
316.17911	2.4
334.56021	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07283	0.3
71.35809	0.4
73.98802	0.3
85.60094	0.2
93.03362	1.4
106.04161	1.6
109.02862	0.6
111.00786	0.7
117.03362	1.0
119.04960	1.2
121.02065	0.5
121.02868	4.4
133.02882	17.1
134.03667	28.3
135.04471	11.2
136.04826	0.6
137.02379	25.4
138.02722	0.7
139.03949	8.0
140.04308	0.4
145.02890	3.1
149.02353	0.6
150.03191	2.5
151.03465	0.4
161.02394	17.6
162.02718	1.1
163.03992	0.5
165.01842	0.6
166.02205	0.3
176.71437	0.2
178.02672	12.1
179.03465	14.7
180.03763	0.7
271.17087	0.4
306.95270	0.3
307.84210	0.3
315.16080	100.0
316.16412	10.5
316.20142	0.5
334.35742	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1819
Annotation	Geranyl beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.01772	4.1
57.03327	2.5
58.00483	2.9
58.71125	0.4
59.01265	71.0
60.01609	0.6
60.99149	0.4
67.90717	0.4
69.03336	1.2
71.01270	53.5
71.49129	0.8
72.01606	0.7
72.99200	4.3
73.02834	82.4
74.03166	0.9
83.01275	6.2
85.02840	12.4
87.00779	8.9
89.02334	18.7
90.34263	0.5
95.01280	1.8
97.02839	1.5
99.00783	3.7
101.02345	49.3
102.02676	0.7
113.02356	8.7
115.03931	0.5
119.03416	14.8
120.51202	0.4
123.04382	0.7
125.02399	0.9
131.03458	0.6
133.02921	0.9
134.03668	0.5
135.04419	2.1
143.03481	1.0
145.02888	2.5
159.02942	0.6
161.02341	3.6
161.04500	100.0
162.04852	2.4
179.03438	1.9
179.05577	1.0
184.50899	0.5
223.11649	0.5
241.12796	1.1
275.09363	0.5
299.38419	0.4
315.18234	99.0
316.12039	6.9
316.18567	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	315.1607
Annotation	porphyrinogen
Peak:m/z	Relative Intensity
58.00479	0.8
66.61443	0.1
70.35134	0.2
75.99072	0.1
93.03361	0.1
106.56866	0.1
111.25049	0.1
117.03378	15.3
118.03596	0.2
118.04288	0.1
119.04942	49.5
120.05278	1.4
121.02871	1.3
123.04442	0.4
133.02861	0.3
134.03668	0.2
139.11221	1.3
140.94894	0.1
145.02887	62.4
146.03217	2.0
151.11194	0.1
162.03214	0.5
163.03955	5.4
164.04245	0.2
167.10745	0.3
169.12283	1.5
205.12761	0.1
315.16064	100.0
316.16400	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	315.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67909	0.1
52.68351	0.2
56.27338	0.1
56.71148	0.2
63.66988	0.2
70.35185	0.4
70.35580	0.4
71.04929	0.2
78.58953	0.2
80.21191	0.1
107.93703	0.2
117.03376	12.9
118.04192	0.5
119.04944	5.2
120.50322	0.2
121.02869	2.2
123.04454	0.6
133.02870	0.4
145.02888	47.4
146.03239	1.7
162.03151	0.9
163.03949	2.4
315.16080	100.0
316.16409	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	315.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
68.20602	0.3
70.51186	0.9
79.31992	0.3
117.03378	24.2
118.04178	0.9
119.04948	10.8
120.05270	0.4
121.02886	4.7
123.04436	1.6
133.02895	1.3
134.03645	0.5
143.04958	0.3
145.02896	100.0
146.03249	3.7
160.80487	0.3
162.03189	2.0
163.03973	5.1
169.54391	0.3
199.39966	0.3
201.99620	0.3
275.13425	0.3
298.78232	0.3
315.16080	92.5
316.12869	0.5
316.16412	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	315.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
69.99573	0.3
69.99949	0.1
72.62361	0.0
74.76966	0.1
77.03848	0.1
90.06554	0.1
93.03384	0.2
98.20497	0.1
105.03332	0.1
106.04150	0.1
111.00756	0.1
118.01983	0.1
118.54910	0.1
121.02913	0.4
132.02057	0.3
133.02881	9.3
134.02182	0.1
134.03667	3.6
135.04453	4.3
137.02376	2.3
137.03447	0.1
139.03943	0.7
145.02881	0.1
149.02420	0.1
150.03139	0.3
151.11214	0.1
153.12852	0.1
161.02388	31.0
162.02763	0.2
163.03989	0.1
165.01895	0.1
178.02696	0.9
179.03465	2.4
304.43158	0.1
315.16071	100.0
316.16379	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	315.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
69.85831	1.7
74.44621	0.3
117.03378	20.5
118.04237	2.2
119.04945	18.1
120.05257	0.7
121.02872	11.6
123.04441	3.8
133.02870	2.6
134.03658	0.8
139.11185	0.4
145.02888	47.5
146.03256	2.1
162.03172	8.6
163.03952	12.7
164.04184	0.4
271.17203	0.6
315.16077	100.0
316.16394	10.2
316.20108	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26375	0.3
53.79628	0.3
64.93027	0.3
69.03352	0.4
69.84150	1.6
83.47823	0.3
104.35162	0.3
104.59567	0.3
117.03377	15.8
118.04276	0.3
118.70126	0.3
119.04942	10.8
121.02876	2.1
123.04444	0.5
129.24524	0.3
133.02888	0.4
145.02888	70.2
146.03215	2.3
151.11212	0.8
162.03166	0.5
163.03960	2.7
164.03380	0.3
167.10744	1.2
239.26509	0.3
271.00583	0.3
315.16080	100.0
316.16418	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	315.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
71.07435	0.8
85.81486	0.3
107.54874	0.3
117.03381	8.1
118.04230	0.4
119.04945	5.0
121.02856	2.2
123.04461	0.5
133.02847	0.3
145.02885	29.6
146.03214	1.4
162.03140	1.4
163.03926	2.8
168.31090	0.4
205.42528	0.3
241.41673	0.4
308.69080	0.4
315.16071	100.0
316.16409	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	315.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
55.25180	0.2
65.46442	0.2
68.67769	0.2
70.89822	0.5
117.03379	13.7
118.04169	0.7
119.04944	20.8
120.05268	0.7
121.02874	2.4
123.04486	0.9
133.02876	0.7
134.03674	0.3
145.02890	61.1
146.03232	2.0
159.13179	0.2
162.03200	1.5
162.04320	0.2
163.03963	8.3
164.04308	0.3
167.78587	0.2
169.12257	0.6
315.16077	100.0
316.16406	10.4
316.20135	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
61.78294	0.3
67.52412	0.3
70.50323	1.4
91.50624	0.3
92.80399	0.4
98.38812	0.4
103.82668	0.3
117.03375	11.5
119.04942	15.4
120.05281	0.4
121.02879	4.4
123.04436	1.2
133.02892	0.8
134.03636	0.7
145.02887	48.7
146.03214	2.4
147.03503	0.9
162.03172	1.7
163.03964	13.2
241.75931	0.4
277.97421	0.3
315.16064	100.0
316.16394	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	315.1607
Annotation	porphyrinogen
Peak:m/z	Relative Intensity
51.04792	0.1
69.83818	0.4
69.84208	0.4
83.04912	0.7
98.19860	0.2
117.03375	17.9
118.03596	0.2
119.04942	9.4
120.05267	0.3
121.02878	1.5
123.04442	0.5
123.08049	0.2
133.02905	0.3
133.10165	0.3
135.08092	0.6
145.02885	83.2
146.03227	2.4
147.04459	0.2
151.11217	5.7
162.03177	0.8
163.03958	3.1
164.04300	0.2
167.10745	0.3
169.12241	0.9
242.69626	0.2
262.42291	0.2
315.16064	100.0
316.16409	6.4
316.19641	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	315.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84165	0.2
61.83902	0.2
63.14279	0.2
70.87762	0.6
93.03378	0.2
117.03378	10.8
118.04208	1.1
119.04945	30.1
120.05296	1.1
121.02878	3.8
123.04433	1.4
133.02879	0.7
134.03711	0.2
145.02888	44.6
146.03230	2.3
151.42809	0.2
162.03191	1.5
163.03961	23.1
164.04317	1.3
174.55829	0.2
184.27303	0.2
237.91306	0.2
315.16071	100.0
316.16400	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	315.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02526	0.2
55.56720	0.2
70.39443	0.6
99.92659	0.3
105.69172	0.3
117.03374	6.8
118.04207	0.7
119.04931	5.1
120.05302	0.2
121.02885	2.4
122.03239	0.3
123.04428	0.7
133.02876	0.6
134.03596	0.3
138.58607	0.2
145.02885	28.4
146.03235	1.2
162.03160	1.1
163.03954	4.1
214.35979	0.2
315.16061	100.0
316.16388	14.0
316.20132	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75559	0.1
56.78543	0.1
69.91876	0.4
69.92316	0.3
77.14645	0.1
93.03380	0.2
98.20484	0.2
106.52393	0.1
112.43683	0.1
117.03374	9.3
118.04267	0.7
119.04943	28.6
120.05279	1.2
121.02869	3.8
123.04418	1.1
129.50163	0.1
133.02859	0.6
134.03651	0.4
143.05092	0.1
145.02884	30.1
146.03209	1.1
151.11188	0.2
162.03171	1.6
163.03955	28.2
164.04272	1.2
315.16064	100.0
316.16397	6.7
316.20142	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
60.02383	0.2
69.91299	1.0
69.91710	0.5
73.84233	0.3
80.38161	0.2
117.03374	17.9
118.04192	0.8
119.04945	5.8
121.02883	3.1
123.04460	1.1
133.02896	1.0
134.03647	0.4
139.11209	0.8
141.12817	0.5
145.02888	59.0
146.03220	2.7
148.34804	0.2
162.03152	1.5
163.03955	3.0
169.12338	0.4
315.16074	100.0
316.16418	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	315.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
66.87342	0.3
69.93449	1.0
88.51919	0.2
109.13179	0.3
117.03380	10.3
117.04202	0.6
118.04194	0.4
119.04961	2.3
121.02897	2.4
123.04455	0.7
133.02887	0.5
139.11226	0.8
145.02895	52.5
146.03247	1.9
146.37607	0.3
161.83301	0.3
162.03197	1.1
163.03967	2.1
315.16080	100.0
316.16425	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1607
Annotation	porphyrinogen
Peak:m/z	Relative Intensity
50.44228	0.2
51.69860	0.2
59.35563	0.2
64.03658	0.2
77.54726	0.2
82.21535	0.2
84.52487	0.2
85.74760	0.2
97.94859	0.2
98.20592	0.3
117.02565	0.4
117.03378	6.8
118.04149	0.3
119.04947	19.3
120.05247	0.6
121.02868	2.4
123.04398	1.1
133.02879	0.5
134.37671	0.3
145.02887	18.6
146.03233	0.5
162.03194	0.8
163.03955	12.0
164.04213	0.3
176.08577	0.2
281.36316	0.2
315.16071	100.0
316.16409	10.4
316.20132	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
58.82489	0.3
59.01261	0.6
71.57917	0.3
82.24737	0.3
115.34389	0.3
117.03378	11.7
119.04945	3.3
121.02879	2.6
123.04458	0.6
133.02910	1.5
134.03618	0.4
135.04430	0.4
139.11249	0.4
145.02892	67.1
146.03252	3.5
147.68938	0.3
161.02405	3.5
162.03105	0.8
163.03938	2.0
172.70978	0.3
195.07298	0.3
209.79425	0.3
315.16077	100.0
316.16409	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.073
Annotation	4-(beta-D-glucosyloxy)-3-hydroxy-benzoic acid
Peak:m/z	Relative Intensity
52.31195	1.1
59.01234	1.4
59.02053	1.0
59.83730	1.0
71.01288	1.5
71.55765	1.4
71.56094	1.1
72.49284	1.2
73.02842	2.1
81.03330	1.8
85.02837	1.5
90.44159	1.1
95.01295	1.2
108.02081	66.6
109.02876	43.0
109.46384	1.2
117.03365	3.5
119.04956	8.4
121.02866	1.8
122.35451	1.2
123.00809	1.1
123.04455	2.1
129.48064	1.4
133.02864	4.2
135.00787	1.9
135.04460	1.8
145.02893	17.4
151.34203	1.1
152.01094	36.8
153.01883	67.1
154.02226	1.8
161.02370	9.4
163.03949	3.2
199.20110	1.2
236.40793	1.3
315.07294	100.0
315.16040	44.4
316.07632	6.6
316.16354	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	315.073
Annotation	4-(beta-D-glucosyloxy)-3-hydroxy-benzoic acid
Peak:m/z	Relative Intensity
50.75062	0.8
53.88809	0.6
56.75906	0.7
59.01270	5.7
59.37133	0.7
70.56939	2.7
71.01286	2.3
73.02841	1.7
81.03365	4.1
85.02840	1.9
89.02324	1.7
95.01263	1.2
101.02349	2.0
101.31869	0.8
101.50177	0.7
108.02080	100.0
109.02874	74.0
110.03181	2.1
111.65917	0.8
117.03411	0.9
118.98023	1.6
119.04929	1.0
121.02907	1.1
123.00779	2.9
123.04382	1.2
133.02898	1.4
135.00824	1.8
135.04463	4.4
145.02888	4.2
151.03893	1.3
152.01094	58.6
153.01881	91.1
154.02228	3.2
161.02388	1.4
163.03963	1.8
315.07315	83.0
315.10468	3.3
315.15851	8.1
316.07626	5.9
322.46277	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1094
Annotation	dopaol beta-D-glucoside
Peak:m/z	Relative Intensity
55.01759	1.2
58.00476	3.4
59.01266	71.9
61.66376	0.7
71.01270	29.0
71.56412	1.2
72.99200	3.1
76.73371	0.7
76.98204	0.9
80.43854	0.8
81.02556	0.7
83.01270	2.4
85.02862	1.9
89.02339	35.5
95.01315	0.7
101.01698	1.7
101.02351	28.6
102.02663	0.8
107.04945	1.2
113.02353	5.8
117.03388	3.9
119.02570	1.6
119.03428	25.6
119.04904	7.7
120.03727	1.1
121.02864	1.1
123.04448	10.4
133.02876	2.5
134.03665	2.6
135.04453	100.0
136.04764	2.6
143.03438	1.0
145.02885	18.3
153.01793	1.8
153.05518	17.0
161.02393	10.0
161.04456	1.2
163.03914	3.1
179.05603	2.9
211.36998	0.9
315.10889	83.3
315.16043	46.1
316.11328	5.8
316.16330	2.8
328.73038	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0519
Annotation	Isorhamnetin
Peak:m/z	Relative Intensity
50.32177	0.3
55.99389	0.3
63.02291	5.4
65.00205	3.2
68.81013	0.3
69.63304	2.0
72.84539	0.3
76.85195	0.4
81.90903	0.3
83.01282	5.0
83.01773	0.4
90.33305	0.3
98.20530	0.5
107.01297	10.9
108.02119	2.1
109.02895	0.3
114.84297	0.3
116.06612	0.3
117.03390	1.0
117.32259	0.3
119.04930	2.4
120.02115	0.5
121.02921	0.4
123.00844	0.5
123.99053	0.3
124.01575	1.5
133.02901	0.9
135.00854	0.7
136.01591	1.3
137.02451	0.4
145.02892	5.5
146.63971	0.3
148.01579	3.6
149.99548	1.8
151.00314	17.3
152.00980	0.6
161.02383	3.2
163.00305	3.0
163.03972	1.2
164.01100	6.1
164.02394	0.5
169.01390	1.8
172.05334	0.5
183.04512	0.5
189.01820	0.3
192.00632	0.5
199.03992	0.6
200.04755	0.6
201.01932	0.3
202.02719	0.5
203.03539	0.4
211.04025	0.7
215.03485	1.0
216.04300	2.1
226.02924	0.3
227.03476	3.3
228.04285	0.6
243.03035	2.6
244.03763	1.0
255.03078	3.4
271.02524	5.3
272.03250	1.7
283.02545	3.9
299.02039	1.3
300.02820	78.6
301.03204	6.1
315.05176	100.0
315.15985	15.7
316.05502	9.2
316.16486	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1453
Annotation	bacteriochlorin
Peak:m/z	Relative Intensity
50.16108	0.4
52.20278	0.4
69.85910	2.3
70.46822	0.4
93.03364	0.5
98.19849	0.5
102.53287	0.4
109.43985	0.4
117.03378	32.0
118.04151	1.6
119.04944	12.7
121.02874	11.5
121.03764	0.5
123.04430	2.7
132.42320	0.4
133.02846	1.9
134.03679	0.8
139.07581	1.4
139.11200	0.9
145.02888	78.5
146.03235	3.1
157.06522	0.7
158.07314	1.4
162.03171	4.5
163.03990	5.0
167.10660	0.6
186.06728	0.7
241.12407	1.8
241.15985	0.5
242.13123	3.1
269.15521	22.8
270.15924	1.6
313.14523	100.0
314.14844	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	313.1454
Annotation	bacteriochlorin
Peak:m/z	Relative Intensity
59.01264	2.6
69.70321	0.5
69.70716	2.2
71.01266	0.6
92.18239	0.3
98.19972	0.7
98.20512	0.5
113.02370	0.4
117.03372	25.6
118.04212	0.7
119.04932	5.3
121.02873	18.7
123.04446	5.6
133.02881	5.0
134.03708	2.9
135.04439	7.9
137.02370	0.4
145.02887	38.4
146.03262	1.5
161.02376	1.0
162.03162	3.3
163.03954	2.9
167.10745	0.9
179.03461	5.8
180.03819	0.4
228.84299	0.3
253.09335	0.8
296.54401	0.4
313.11102	6.2
313.14499	100.0
314.11340	0.8
314.14877	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	314.1618
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02857	2.4
58.82585	1.3
59.01262	9.4
69.47004	11.4
71.01270	93.9
81.02097	7.2
82.02872	8.9
89.02353	2.0
91.03905	4.3
93.38862	1.3
94.02900	4.8
95.04950	1.5
96.04439	22.9
107.03687	6.7
108.04453	4.2
110.06026	2.3
117.03400	6.7
119.04950	10.4
120.04560	1.3
122.06067	2.2
123.04449	1.9
125.09616	1.3
127.07548	2.1
133.02888	6.5
134.03664	1.9
135.04475	2.5
137.02347	1.8
145.02893	29.1
146.03287	2.1
160.11266	3.2
161.02400	14.0
161.09785	2.1
163.03955	3.8
168.10252	29.5
178.12332	35.4
179.12622	1.9
186.09341	2.3
190.56543	1.5
194.00990	4.2
195.10345	1.5
196.13376	8.7
204.10312	13.6
222.11372	80.3
223.11868	5.5
240.12462	20.4
300.02780	1.4
314.16174	100.0
315.05270	1.8
315.16101	88.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
55.92629	0.6
69.43364	1.2
69.43771	3.9
93.03361	2.1
106.04147	1.5
109.02893	0.7
110.61148	0.6
111.00793	1.0
121.02878	5.0
133.02892	10.1
134.03677	32.1
135.04485	11.1
137.02386	31.1
138.02744	1.3
139.03941	11.1
145.02907	4.8
148.05257	1.4
149.02332	1.3
150.03194	3.6
161.02408	7.7
162.03111	0.8
165.01881	0.9
178.02696	25.8
179.03458	5.2
217.73001	0.5
269.15546	7.3
313.14539	100.0
314.14911	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	313.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29715	0.3
71.57523	0.4
73.44569	0.3
84.02047	0.3
93.03358	0.3
96.20136	0.3
96.84847	0.3
117.03373	12.9
119.04944	5.2
121.02873	1.9
123.04462	0.6
133.02887	0.5
145.02887	70.6
146.03223	2.5
149.09578	0.5
162.03143	0.7
163.03972	3.3
167.10730	1.1
220.59132	0.3
225.84718	0.3
244.85857	0.3
260.12802	0.3
313.14520	100.0
314.14877	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	313.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15259	0.3
61.91106	0.3
70.36346	1.1
79.48045	0.3
87.04419	0.6
97.06488	2.2
105.38289	0.3
111.08076	0.4
117.03378	13.8
119.04948	6.5
121.02863	1.5
123.04459	0.8
124.05236	2.8
128.14441	0.3
145.02890	63.6
146.03236	1.9
152.08354	1.6
158.52455	0.3
162.03171	1.1
163.03961	5.2
167.10733	5.5
187.63284	0.3
256.43967	0.3
263.05695	0.3
313.14526	100.0
314.14871	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	313.1454
Annotation	bacteriochlorin
Peak:m/z	Relative Intensity
56.24266	0.2
71.30204	0.5
103.94633	0.2
114.03690	0.2
117.03373	2.6
119.04117	0.2
119.04942	3.8
121.02912	1.3
133.01862	0.4
133.02881	10.3
134.03676	5.3
135.04453	4.5
137.02386	3.9
139.03969	1.4
145.02892	11.4
146.03238	0.4
149.09715	0.3
150.03177	0.4
161.02393	43.0
162.02734	1.4
163.03947	1.1
178.02660	1.6
179.03477	6.4
205.05101	1.0
269.15472	0.8
278.64273	0.2
313.14526	100.0
314.14859	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	313.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38676	0.2
62.43833	0.2
69.09122	0.2
69.47993	1.4
76.13660	0.2
84.02299	0.2
93.03382	0.2
106.04181	0.2
107.04934	0.4
112.20469	0.2
117.03367	1.1
119.04936	0.4
119.63708	0.2
121.02902	1.1
132.02104	0.3
133.02876	8.8
134.03680	6.4
135.04448	37.1
136.04759	1.2
137.02373	3.7
138.14767	0.2
139.03938	1.1
145.02882	3.4
150.03186	0.3
161.02388	25.9
162.02690	0.9
163.03993	0.3
178.02666	1.3
179.03456	25.7
180.03818	1.2
207.70370	0.2
303.04880	0.2
313.14514	100.0
314.14844	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	313.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25838	0.3
70.89597	0.7
74.62103	0.3
75.42233	0.2
82.78802	0.3
117.03374	9.0
117.04196	0.5
118.04205	0.6
119.04949	12.6
121.02865	2.9
123.04422	0.8
133.02861	0.9
145.02895	26.5
146.03239	1.0
162.03223	1.1
163.02708	0.5
163.03975	7.5
241.84454	0.3
312.81088	0.3
313.14523	100.0
314.14844	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	313.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
70.89783	0.3
70.90104	0.5
87.04399	0.7
95.04907	0.4
97.06480	2.6
111.08075	0.5
117.03379	13.4
119.04945	4.6
121.02889	1.4
123.04456	0.4
124.05234	3.5
144.00781	0.3
145.02890	69.8
146.02237	0.3
146.03214	2.0
152.08348	1.6
162.03198	1.2
163.03963	3.5
167.10727	6.5
167.12082	0.5
182.77126	0.3
230.84239	0.3
301.26819	0.3
313.14532	100.0
314.14841	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	313.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57413	0.4
61.09993	0.4
69.34769	0.3
69.45684	0.4
71.34022	0.6
82.12997	0.3
86.74023	0.3
92.09169	0.4
117.03378	24.2
118.03672	0.8
119.04948	13.7
120.05293	0.7
121.02868	3.5
123.04462	0.6
133.02869	1.0
145.02888	63.4
146.03235	3.0
149.09697	0.5
162.03192	1.6
163.03973	4.8
167.10713	0.8
276.57645	0.4
310.20145	0.4
313.14526	100.0
314.14905	7.1
326.33078	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
59.82994	0.3
70.02728	1.4
71.04899	1.1
82.02079	0.3
88.11255	0.3
99.95184	0.3
109.06484	0.5
117.03375	17.6
119.04968	2.6
121.02838	1.7
123.04449	0.6
123.08094	1.3
133.02858	0.5
139.11217	0.7
145.02887	70.1
146.03223	2.5
146.69739	0.4
151.07603	1.0
162.03198	0.4
163.03979	1.7
167.10732	5.1
168.11110	0.4
185.25227	0.3
289.03922	0.3
294.39246	0.3
313.14520	100.0
314.14865	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	313.0937
Annotation	Phyllanthurinolactone
Peak:m/z	Relative Intensity
55.69312	1.6
58.97573	2.0
59.01261	10.1
59.03529	1.6
70.45606	3.5
70.46004	4.2
71.01275	28.0
73.02831	8.4
83.01258	2.6
85.02830	13.3
89.02336	2.5
93.03346	4.3
99.00808	3.5
101.02322	16.2
106.04145	5.5
107.04208	3.7
107.04933	67.6
108.02073	3.6
108.05267	3.0
113.02339	8.6
121.02880	4.1
123.04413	14.6
150.03137	8.1
151.03943	100.0
152.04251	3.6
158.32086	1.9
159.02985	4.8
161.04488	9.1
178.96161	2.0
313.09207	4.9
313.14438	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	313.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
60.74078	0.3
61.03947	0.3
61.66926	0.3
67.07525	0.3
70.08549	1.4
71.04898	1.1
78.87123	0.3
81.24689	0.3
87.59180	0.3
89.99005	0.3
93.66377	0.3
107.19247	0.3
109.06509	0.7
117.03378	19.5
118.03680	0.4
119.04963	1.1
121.02862	0.7
122.37386	0.3
123.08070	0.8
145.02888	82.4
146.03233	3.0
150.47388	0.4
151.07567	0.6
163.04047	0.6
165.09225	0.5
167.10747	3.2
191.22816	0.4
202.59061	0.3
240.06775	0.3
303.80423	0.3
313.14523	100.0
314.14874	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	311.2023
Annotation	Longithorone K
Peak:m/z	Relative Intensity
50.93367	0.2
59.00823	0.3
59.01273	1.4
61.92717	0.2
66.42616	0.3
70.78288	0.3
70.78629	0.7
72.63890	0.2
79.95102	0.2
90.64828	0.2
133.06503	2.6
149.06073	3.7
149.09662	100.0
150.09998	4.0
183.01167	3.3
227.40300	0.3
311.09598	0.9
311.16992	6.1
311.20203	63.9
311.59711	0.5
312.17349	0.7
312.20554	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2238
Annotation	Octadec-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
56.91627	0.3
57.03324	0.6
59.01260	1.1
71.35574	0.8
97.06480	0.6
111.89539	0.3
117.03336	0.4
123.08060	0.4
125.09631	2.9
131.10283	0.3
139.11197	1.1
141.09167	1.7
141.12767	1.2
143.10666	0.5
145.02875	0.6
149.05989	0.9
153.09175	1.2
153.12726	0.4
155.14391	1.6
157.12271	0.9
167.10744	0.7
170.43767	0.4
171.10199	2.0
176.81052	0.4
181.15996	0.5
183.13765	0.5
199.09671	1.0
200.10516	2.3
214.80717	0.3
249.22157	1.8
265.21732	0.8
267.23462	1.2
275.20197	0.8
283.22656	0.6
293.21268	6.1
294.21661	0.4
311.22342	100.0
312.22659	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	311.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01770	1.8
57.03327	0.9
57.69126	0.4
58.00470	0.6
59.01266	30.9
71.01273	10.5
71.43298	1.0
72.99185	1.4
73.02840	26.3
74.03169	0.5
83.01279	3.7
83.03238	0.5
85.02844	8.0
87.00771	3.1
89.02343	0.6
95.01304	0.9
97.02884	0.6
99.00784	1.8
101.02351	18.8
113.02364	2.3
118.66518	0.4
119.28203	0.4
125.02296	0.5
135.04443	1.1
145.78455	0.4
149.06021	1.6
161.02383	0.9
161.04507	29.0
162.04785	1.0
179.03354	0.4
244.93416	0.4
251.09219	0.6
269.10370	100.0
270.10690	7.2
311.09357	2.6
311.60004	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0932
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84120	0.9
58.84812	1.0
59.01262	21.8
60.34620	0.9
63.77552	0.9
69.52763	4.7
69.53185	3.5
71.01237	2.4
73.02820	1.9
85.02830	2.4
87.00768	1.8
90.01250	1.0
91.05433	1.4
97.59843	1.1
98.19848	2.1
98.71266	1.0
101.02312	2.5
107.04924	3.5
109.02762	0.9
117.03349	1.7
119.04968	1.5
133.02858	4.4
134.03671	15.8
135.04443	84.4
136.04767	4.3
137.02391	1.6
139.03902	1.1
144.24774	1.1
149.06007	26.3
161.02377	4.1
161.04486	2.1
179.03455	100.0
180.03809	4.2
245.40233	1.1
251.11397	4.3
311.09534	8.9
311.12891	2.6
311.22375	4.3
311.29318	2.2
311.59866	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	311.1145
Annotation	Manglieside A
Peak:m/z	Relative Intensity
59.01276	0.1
61.19027	0.1
71.38329	0.2
72.31371	0.1
81.18178	0.1
106.32587	0.1
108.02071	0.3
120.38015	0.1
122.03650	0.6
130.04103	0.1
131.04880	0.1
135.04457	0.2
147.04436	0.7
148.05251	1.3
149.06024	100.0
150.06363	5.5
238.06450	0.1
283.09845	0.3
296.07117	0.1
298.60001	0.1
311.09378	1.0
311.12018	0.4
311.59882	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	311.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16010	0.0
59.01255	0.2
62.25947	0.1
70.95518	0.1
72.88852	0.0
73.02847	0.1
85.06325	0.0
88.66016	0.0
93.03345	0.1
98.20549	0.1
103.05463	0.1
105.07046	0.0
108.02071	0.4
119.04934	0.1
121.06528	0.1
122.03643	0.7
123.04423	0.1
125.28111	0.0
130.04179	0.1
131.04930	0.2
134.03598	0.1
135.04448	0.1
138.76303	0.0
139.03920	0.1
147.04454	0.9
148.05246	1.6
149.06017	100.0
150.06352	4.4
150.07610	0.1
154.02687	0.1
161.02402	0.0
179.03484	0.1
203.03510	0.1
229.19571	0.0
311.11679	0.8
311.59854	0.1
312.11774	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	311.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	0.7
60.36567	0.2
69.49252	0.9
69.49689	0.7
71.01270	0.4
73.02817	0.2
82.67163	0.2
85.02825	0.3
98.19772	0.4
108.02116	0.3
113.16760	0.2
122.03661	0.7
130.04150	0.3
133.02873	0.3
135.04486	1.0
147.04456	0.8
148.05257	1.3
149.06020	100.0
150.06360	4.7
161.02365	0.6
162.97078	0.2
168.95943	0.2
179.03447	0.6
193.86456	0.2
202.22839	0.2
226.60497	0.2
281.07150	0.3
284.43018	0.2
297.89114	0.2
311.09274	0.7
311.11563	0.9
311.59912	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1143
Annotation	Manglieside A
Peak:m/z	Relative Intensity
56.88402	0.1
59.01245	0.2
63.24612	0.1
69.39587	0.7
71.01266	0.1
73.02810	0.1
79.03819	0.1
93.03332	0.1
98.20584	0.2
108.02074	0.4
121.06504	0.1
122.03647	0.7
130.04131	0.1
131.04947	0.2
135.04428	0.2
137.02328	0.2
147.04446	0.8
148.05244	1.6
149.06018	100.0
150.06354	4.5
161.02397	0.1
311.11655	1.4
312.11945	0.1
331.26486	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	309.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03337	6.8
59.01260	3.6
67.31860	1.4
69.03333	1.9
71.04905	4.1
71.13466	2.0
71.13805	2.8
72.72516	1.3
79.05424	1.4
83.04922	5.0
85.06474	3.8
87.04426	2.3
97.02864	3.0
97.06468	2.7
109.06490	5.3
111.04428	2.2
111.08073	1.4
127.07557	2.0
149.09636	1.3
167.10802	2.3
171.10233	2.1
177.12738	1.7
179.14352	4.6
181.12331	1.9
195.13905	22.7
205.12294	2.5
217.16069	1.4
221.15456	23.0
223.13416	11.3
223.17007	1.3
229.19798	1.5
239.16512	5.2
247.20714	4.3
273.18716	2.9
291.19754	71.6
292.20050	9.1
309.20789	100.0
310.21185	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	309.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	2.6
58.00497	1.0
59.01242	2.8
67.59834	0.9
69.03323	3.9
71.17270	1.5
81.03334	1.2
83.04936	1.6
104.97021	1.0
107.08559	1.6
111.08079	1.8
119.08586	15.4
121.10128	1.8
125.09649	6.5
127.11182	3.3
135.08055	2.6
137.09660	29.3
138.09998	1.5
139.11197	1.3
149.09573	1.4
151.11214	1.9
152.08412	1.4
153.09122	1.3
155.10712	5.0
167.10706	3.1
171.10225	100.0
172.10518	4.6
183.10252	4.9
185.10237	1.5
185.11812	24.5
186.12152	1.4
195.10135	2.0
197.11803	6.0
201.11308	7.3
209.15492	3.4
213.11317	8.2
229.19545	1.6
273.18704	9.1
291.19727	37.6
292.19983	3.9
309.17099	6.6
309.20718	40.6
310.21118	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2082
Annotation	6,9-Octadecadienedioic acid
Peak:m/z	Relative Intensity
51.95633	0.4
55.52032	0.5
57.03321	1.7
58.03546	0.5
59.01266	3.1
69.03340	0.9
69.95069	0.8
69.95477	2.2
71.01273	1.3
80.35783	0.5
83.04916	0.8
92.56969	0.5
97.06493	2.7
112.36252	0.5
119.04934	2.2
123.08074	1.8
125.06017	1.0
125.09637	5.3
125.67716	0.6
126.40562	0.5
127.11187	1.8
137.09662	1.4
139.11227	0.9
141.09120	2.2
141.12782	0.9
151.07582	1.9
151.11290	0.7
152.08362	1.1
153.09151	1.7
155.10704	1.0
167.10730	0.7
171.10226	5.5
177.14731	0.5
183.13734	0.7
185.11783	1.3
197.11853	0.7
199.09729	5.7
200.10547	5.8
201.11305	4.9
209.15480	1.6
211.13298	1.0
213.11517	0.7
215.13002	0.5
247.20711	5.2
263.20151	1.0
265.21817	1.7
273.18707	1.2
281.21222	0.9
291.19727	15.6
292.19928	1.1
309.20767	100.0
310.21140	9.7
321.70120	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.1127
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	1.2
59.01267	5.0
71.01266	1.1
84.04446	21.1
89.02358	0.6
91.97989	0.5
97.99918	0.5
101.02349	1.0
109.82845	0.5
113.02393	0.5
116.40443	0.6
119.03447	0.7
120.01189	0.6
134.03676	0.6
135.04448	1.8
147.08078	3.5
149.06030	3.5
161.02432	1.7
162.02261	100.0
163.02570	2.2
179.18626	0.5
181.06914	0.7
192.05737	0.5
311.09647	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	311.078
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21607	0.3
59.01269	3.4
69.03337	0.4
69.49574	1.5
69.49999	0.9
71.01265	5.8
71.58495	0.3
73.02835	3.9
74.99602	0.3
85.02824	0.4
87.00775	2.2
89.02336	28.1
101.02350	0.7
103.03916	2.2
107.04916	0.5
113.02363	0.5
117.70055	0.3
119.04953	0.4
127.00333	0.3
131.03418	7.0
133.02867	1.8
134.03676	3.1
135.04448	30.7
136.04762	1.1
149.04494	100.0
150.04814	2.2
161.02367	4.5
165.04047	0.6
179.03458	18.5
180.03831	0.8
280.97272	0.3
311.07715	1.2
311.09912	1.0
311.59833	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.078
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24887	0.2
59.01269	2.9
69.03362	0.3
69.63257	1.9
71.01273	4.5
73.02835	3.4
76.93168	0.2
79.81196	0.3
82.75822	0.2
85.02840	0.3
87.00782	2.2
89.02341	23.3
90.02671	0.3
91.90592	0.3
101.02332	0.7
103.03927	1.6
107.04934	0.6
109.26855	0.3
119.04937	0.5
127.00344	0.3
127.63707	0.3
131.03430	6.1
133.02884	1.1
134.03702	1.9
135.04454	26.5
136.04797	0.9
149.04501	100.0
150.04836	2.1
161.02420	3.9
162.02718	0.3
163.03947	0.5
165.04022	0.6
173.61314	0.3
179.03462	17.9
180.03746	0.6
237.43320	0.3
305.49377	0.3
311.07858	0.9
311.09802	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1198
Annotation	Abealpha1-3Manalpha
Peak:m/z	Relative Intensity
59.01267	81.3
61.86945	2.8
62.76936	2.8
69.72835	16.5
70.44721	3.4
71.01266	38.6
72.99202	6.1
74.53568	2.8
83.01293	3.9
85.02840	7.1
89.02349	36.1
101.02353	27.4
113.02348	11.8
119.03407	12.9
129.05518	20.3
139.28452	2.8
146.55490	2.8
147.06596	13.4
186.20390	3.3
289.15189	2.9
309.11984	100.0
310.12308	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	309.2079
Annotation	trans-EKODE-(E)-Ib
Peak:m/z	Relative Intensity
53.25410	0.8
57.03340	1.6
59.01265	2.7
64.53020	1.0
64.79662	0.9
67.01776	1.2
69.03333	1.5
70.05369	1.1
70.77737	3.1
71.04907	1.8
80.02567	10.4
81.03349	4.0
83.04919	26.8
84.02059	10.4
85.06550	1.1
85.85912	0.9
91.36048	0.9
95.04948	1.4
97.06481	2.4
98.03593	1.1
99.08069	8.1
109.06490	3.0
110.03610	1.4
111.08066	2.2
113.09628	2.6
115.07574	5.6
123.04420	2.5
123.08058	1.4
124.11348	1.0
125.09659	5.5
125.47781	1.0
127.11250	4.7
135.08113	1.1
137.09653	48.1
138.09962	1.7
139.11208	8.6
145.02962	1.3
151.07553	1.5
151.11226	5.7
153.09149	8.1
153.99805	0.9
154.09926	1.7
155.10727	52.7
156.11113	1.7
163.11209	1.2
165.09082	1.3
167.10716	4.7
169.12276	2.0
171.10226	52.2
172.10468	1.9
174.30667	0.9
179.14354	1.7
185.11838	1.0
193.12314	23.1
194.12682	2.1
195.13863	1.4
209.11838	5.1
209.15396	2.3
211.13391	4.1
221.11826	1.3
247.20836	5.9
248.21013	1.3
263.17838	1.1
263.20187	5.7
265.21753	5.9
273.18686	1.8
281.21271	2.7
291.19733	100.0
292.20016	9.2
309.17471	3.7
309.20770	86.9
310.21149	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	4.6
58.00461	2.7
59.01258	6.6
61.05028	1.0
71.01250	1.7
71.58869	1.8
71.79847	1.1
76.85828	1.0
80.02567	8.8
84.02065	2.9
84.06339	1.2
95.04931	1.7
96.95905	10.5
97.06479	2.3
99.08134	1.4
104.97162	1.5
111.08074	1.5
123.08073	18.0
125.09631	19.1
127.11192	8.2
127.19511	1.5
137.09654	14.3
139.11230	6.9
141.09166	1.2
141.12784	2.7
151.07600	3.0
151.11168	2.3
152.08325	1.7
153.09140	4.0
155.10719	53.4
156.11020	2.3
167.10709	4.1
169.12257	1.5
171.10223	100.0
172.10535	4.4
181.66821	1.1
183.10292	1.3
185.11797	99.2
186.12132	4.2
193.15938	1.7
209.15421	2.8
212.10599	4.7
215.98558	1.3
247.20790	6.8
253.21742	1.6
263.20187	8.0
265.21753	5.3
273.18628	2.4
281.21265	17.6
282.21289	1.3
291.19730	40.0
292.19907	1.8
309.17316	17.7
309.20764	43.4
310.21173	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2079
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
56.09731	0.6
57.03339	1.1
59.01262	2.9
65.80815	0.8
67.01774	1.9
69.03339	1.0
69.93233	0.6
71.50101	0.9
71.50445	0.9
81.61571	0.7
83.04921	1.4
92.12638	0.6
97.06467	1.0
101.02353	0.7
111.08069	2.3
119.04961	1.1
121.10159	9.2
123.08046	1.2
125.09653	6.2
131.77452	0.6
137.09669	6.4
147.08063	0.7
163.29671	0.6
167.14420	1.5
171.10229	10.4
172.10513	1.0
185.11795	9.0
195.13861	1.5
197.11804	3.7
198.12093	0.7
209.11830	1.3
209.24094	0.6
211.13393	53.9
212.13771	3.4
223.13399	0.8
224.09238	0.6
225.14917	0.8
247.13457	0.7
247.20682	1.0
273.18634	1.0
280.70111	0.6
291.19733	100.0
292.20062	10.3
297.39819	0.6
309.17517	1.1
309.20706	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	307.1922
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
57.03367	2.8
57.11385	2.2
59.01262	20.2
60.10219	2.2
67.01743	2.2
69.03334	5.1
69.38885	5.1
69.39293	18.9
71.01257	3.3
81.03342	7.5
83.01272	10.9
83.04939	2.3
87.10829	2.1
93.03368	2.8
95.04938	5.7
97.02863	5.8
97.06485	15.1
98.19767	2.4
112.87527	2.2
123.04440	13.1
123.08051	4.4
125.09649	19.2
131.54843	2.4
135.08046	3.1
137.09668	12.0
149.05988	2.7
161.04518	5.3
161.09613	3.1
163.07588	3.1
163.11250	18.7
165.12746	3.4
171.10284	3.0
177.12743	3.4
179.10776	3.7
181.12238	3.5
183.48409	2.1
185.11787	27.4
191.10692	2.7
191.14413	21.2
207.10269	11.5
209.11836	54.3
210.12112	5.2
218.34026	2.1
225.11296	10.7
226.11958	2.9
245.16714	4.1
245.19124	48.5
246.19424	4.6
263.20126	5.4
271.17001	5.8
289.18158	100.0
290.18527	6.0
307.18896	48.7
308.19537	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	307.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03903	3.0
57.03318	12.4
59.01263	36.4
60.13623	3.1
64.31797	2.5
69.03333	4.9
69.70450	19.8
71.01266	21.4
71.04869	3.2
72.99197	3.3
73.02829	3.2
75.50861	2.5
76.74136	2.6
76.97268	2.7
80.02548	6.0
83.04899	6.8
85.02799	4.9
91.29405	2.9
95.04906	4.6
96.54419	3.4
97.06488	22.8
101.02327	4.7
103.03892	2.9
109.02800	3.2
109.06450	4.9
111.08031	10.3
123.04373	4.8
123.08064	3.2
125.09612	5.7
137.06042	3.6
149.09634	6.8
151.11238	20.7
153.09143	4.7
153.12848	4.1
155.10681	11.9
161.04506	18.1
163.11218	5.6
165.12833	28.8
167.10669	7.0
169.12238	3.2
177.12807	5.6
179.03426	3.1
179.10652	11.3
181.12292	39.1
191.10802	15.4
191.14384	9.1
205.12212	4.4
209.11821	93.3
210.12015	3.2
211.13327	8.2
239.09232	3.0
245.19104	37.9
246.19229	2.8
246.49385	3.1
251.20329	3.1
263.20239	8.6
279.19681	4.0
289.18185	50.5
290.18402	4.9
307.10345	11.5
307.19156	100.0
308.19464	9.5
308.22385	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	307.2287
Annotation	Isoobtusilactone A
Peak:m/z	Relative Intensity
58.28024	0.5
59.01256	2.2
60.87965	0.5
66.04304	0.5
71.01277	0.6
71.06742	0.5
71.07085	1.0
85.02832	0.5
135.04515	0.7
152.49159	0.5
161.04504	0.6
207.62408	0.5
254.56915	0.5
307.22852	100.0
308.23224	10.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1141
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47399	0.2
56.40327	0.2
59.01267	1.3
71.57434	0.5
76.53156	0.2
80.02574	0.4
83.04919	0.6
84.02026	0.2
117.03383	25.7
118.03713	0.9
125.09676	0.3
137.09659	1.3
145.02892	100.0
146.03238	4.1
146.79088	0.2
148.04066	0.6
148.05247	10.4
150.76942	0.2
151.03989	0.5
151.07564	0.9
152.08366	0.3
155.10725	1.2
163.07608	2.9
165.88068	0.2
171.10234	1.5
180.15642	0.3
193.12314	0.5
204.12625	0.3
209.11821	0.3
209.15475	1.1
211.13419	0.2
291.19763	3.0
292.20181	0.3
309.11481	0.2
309.17117	1.4
309.20822	3.1
310.17831	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	307.1406
Annotation	NSC-224070
Peak:m/z	Relative Intensity
55.01764	0.9
58.00467	1.7
59.01264	31.3
70.49128	2.4
71.01269	16.7
72.99192	1.6
73.02828	1.6
83.01274	1.7
85.02837	3.6
87.00771	1.1
89.02333	15.9
95.01267	1.3
99.08051	14.6
101.02350	12.2
113.02363	6.0
119.03431	6.6
127.07566	2.5
129.09167	1.1
141.09184	0.8
143.03448	0.8
145.08640	48.8
146.08986	1.8
161.04526	1.3
179.05577	0.7
181.90543	0.6
187.09708	1.2
189.11867	0.6
196.35336	0.6
307.14044	100.0
308.14386	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1923
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
53.43116	0.6
55.43215	0.6
59.01265	11.2
69.03311	0.8
70.72837	1.7
70.73191	0.9
71.01266	3.5
71.04914	4.4
73.02823	1.3
80.02562	1.4
81.03334	1.5
83.04918	1.5
85.02859	0.7
91.98225	0.6
95.04940	2.0
97.02866	1.2
98.03664	0.9
101.02338	1.4
103.92600	0.6
109.02882	1.5
109.06501	12.2
111.04425	6.9
111.08057	1.0
121.06551	0.8
123.04443	0.9
123.08074	1.3
127.07579	4.3
135.04431	1.0
137.06046	1.1
137.09660	1.7
143.10725	2.3
145.06529	1.6
149.09605	1.3
150.68024	0.6
151.11328	0.7
151.94043	0.6
161.04478	4.8
161.09702	0.8
163.11270	0.9
165.28542	0.6
167.10709	1.7
177.12888	0.9
179.03484	1.2
179.10768	1.5
181.12321	0.7
195.13870	3.3
235.13387	1.4
245.19084	4.7
251.16513	0.9
271.17126	1.4
287.16650	1.4
289.18152	100.0
290.18469	7.1
307.10596	3.0
307.15707	1.4
307.19104	13.1
320.75076	0.7
325.66272	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1234
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38483	0.5
54.53122	0.5
59.01265	3.7
60.87208	0.5
71.01259	1.7
73.02842	0.9
74.98959	3.6
75.49454	0.5
83.01288	0.6
83.64279	0.4
85.02834	0.5
89.02372	0.6
91.02116	3.1
93.00032	3.8
98.65662	0.5
101.02273	0.7
101.87219	0.5
110.21954	0.4
115.11172	0.5
139.00142	0.4
139.31183	0.5
145.02933	0.5
149.00928	2.5
159.08398	6.9
161.04535	3.0
161.06310	2.0
163.69023	0.4
167.19743	0.4
184.11873	0.5
188.83203	0.5
190.10605	0.5
193.46370	0.5
199.72583	0.4
206.99709	1.2
209.01221	2.2
209.25586	0.5
217.07188	0.7
223.02841	48.4
224.02936	3.4
241.03894	2.0
289.07608	1.7
291.09167	100.0
292.09268	10.3
307.12823	4.2
309.10233	2.5
327.52332	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	7.3
63.84122	0.9
71.01273	3.3
80.59343	1.0
85.02842	1.0
125.09634	1.1
125.29945	1.0
127.07521	1.8
137.09612	1.7
153.75923	1.0
161.04448	2.1
168.10255	4.7
174.12805	1.8
190.15903	1.4
195.13826	1.0
197.11732	1.6
209.15494	1.0
210.11429	1.6
211.13397	1.4
214.15942	1.3
220.13467	1.9
229.15880	1.1
242.19133	1.4
244.20685	9.9
251.16649	1.3
270.18704	6.8
276.20984	4.5
288.19775	24.6
289.20557	6.8
306.20822	100.0
307.10553	1.7
307.21213	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.083
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	11.6
70.74597	2.0
71.01290	1.5
85.02846	1.6
90.86475	0.6
107.04897	0.8
107.15508	0.6
109.02877	0.7
109.09436	0.6
124.01637	0.8
133.02866	2.1
134.03661	2.3
135.04448	100.0
136.04768	3.7
151.03960	1.0
161.02380	5.0
161.04486	1.3
179.03458	99.5
180.03767	4.9
186.86502	0.6
216.26411	0.8
236.17789	0.6
260.40323	0.6
289.07144	2.1
307.08173	12.0
308.08643	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	307.1231
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85669	0.2
59.01267	1.2
60.97432	0.2
62.09814	0.2
62.16646	0.2
63.21957	0.2
71.01299	0.6
71.57446	0.5
74.98963	4.0
74.99352	0.4
75.11626	0.2
75.96104	0.4
81.48742	0.3
86.66400	0.2
89.02370	0.3
91.02106	2.8
93.00031	2.9
133.02649	0.2
139.55162	0.2
143.98526	0.3
149.00899	2.2
159.08421	7.8
159.09743	0.4
160.08565	0.3
161.04521	1.0
161.06348	2.3
163.92912	0.2
192.98079	0.7
206.99680	1.5
209.01245	2.2
217.07295	0.6
217.88686	0.3
218.62807	0.2
223.02841	50.0
224.02864	3.8
225.00764	0.4
241.03928	1.6
272.99097	0.2
275.06027	0.5
289.07587	1.9
291.09164	100.0
292.09274	11.0
307.12479	4.2
307.19321	0.3
308.12607	0.4
308.22504	0.5
309.10229	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	306.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	5.4
63.48439	0.5
69.03373	0.6
70.63569	2.2
71.01263	2.2
77.55208	0.6
80.32499	0.6
83.97798	0.6
89.82483	0.6
94.06527	1.2
108.08086	1.1
126.09142	0.9
161.04495	2.2
169.12244	1.5
188.14352	1.1
195.13899	0.7
197.11844	3.2
203.10793	0.7
211.13300	3.0
216.13908	0.7
216.17459	0.8
220.13448	1.5
234.14987	0.9
238.95410	0.6
244.20705	3.8
260.16580	2.5
270.18546	1.2
275.70963	0.7
276.20981	9.9
288.19730	12.3
289.20508	2.0
306.20813	100.0
307.10416	1.8
307.21207	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	306.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01271	4.6
66.59334	0.7
69.39535	6.6
71.01236	1.6
85.06518	0.8
88.08828	0.7
133.84967	0.7
155.56122	0.7
169.12297	1.6
197.11745	1.9
211.13391	1.9
220.13428	1.2
234.15004	0.9
244.20712	3.4
260.16534	2.2
276.21014	10.1
288.19745	11.0
289.20407	2.1
306.20816	100.0
307.10559	0.7
307.21210	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	306.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
57.40063	0.8
59.01274	5.7
64.20904	0.8
66.37096	0.9
69.41958	7.9
71.01257	2.5
87.78442	1.0
94.81069	1.0
109.06538	1.4
118.89364	0.9
119.08606	1.6
127.07619	1.0
137.09660	2.4
144.08160	1.1
146.09760	1.0
150.57123	0.9
152.69821	0.9
161.04486	1.1
168.10252	9.4
174.12866	3.2
195.13895	1.9
197.11736	1.1
200.14470	1.7
210.11272	1.3
211.13406	1.1
220.13380	2.1
236.12976	1.1
242.19125	1.6
244.20784	12.2
247.16071	1.0
270.18695	12.9
276.21017	3.9
288.19788	34.3
289.20432	6.8
306.20816	100.0
307.10675	1.4
307.21475	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	301.0361
Annotation	6-Hydroxykaempferol
Peak:m/z	Relative Intensity
63.02292	7.6
65.00214	20.9
68.12311	1.3
71.99727	1.5
78.10820	1.6
83.01268	16.4
84.57233	1.3
93.03359	40.8
95.01288	7.3
105.94038	1.8
107.01296	35.7
108.02076	1.9
108.99207	1.5
109.02850	2.7
111.00791	3.0
117.03366	8.3
118.03673	3.0
121.02880	7.9
123.00808	3.4
124.01599	8.7
125.02383	16.3
128.39667	1.6
133.02913	2.1
135.00764	4.3
135.04468	8.5
137.02379	4.6
139.00314	4.6
143.04974	3.7
145.02887	8.1
146.03246	4.4
147.04446	1.6
151.00317	88.6
152.01112	26.9
153.01878	10.2
159.04437	6.3
161.02431	8.3
161.06052	2.6
163.00328	14.4
164.01074	2.3
169.01414	3.2
171.04408	2.4
173.06082	2.3
178.99837	32.2
181.01389	1.8
183.04482	1.8
185.05975	2.7
187.03958	3.9
201.05566	10.9
206.99365	31.6
208.00105	18.3
211.03983	4.9
212.08893	1.4
213.05489	2.2
215.03488	5.2
227.03397	3.4
229.05089	12.7
233.04617	1.9
245.04587	76.5
246.04961	6.3
255.03032	10.1
257.04617	16.5
273.04111	100.0
274.04456	6.1
283.02563	6.5
300.16867	6.0
301.03592	97.4
301.17148	8.6
302.03992	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0572
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29697	1.9
54.19395	1.7
55.73418	2.1
57.19038	1.9
59.01254	7.5
69.03344	3.1
71.56334	2.9
86.80408	2.1
90.57982	2.1
92.58485	1.8
121.02817	2.3
123.00815	6.1
124.01537	12.0
125.02369	54.8
138.91745	2.0
147.03479	2.2
149.99536	19.6
151.00304	7.9
151.01398	2.1
168.00601	65.0
169.01375	43.0
228.43332	2.1
283.04614	4.6
301.05746	100.0
301.17224	5.7
302.06036	7.0
307.80701	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	304.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02863	40.2
59.01270	1.3
65.07688	0.2
69.96906	0.5
69.97324	0.9
98.19939	0.3
99.83467	0.2
108.79374	0.2
117.03407	0.3
119.04855	0.2
141.01607	0.4
151.11211	0.4
168.13893	100.0
169.14249	4.6
212.12932	4.8
213.13206	0.4
304.19321	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0675
Annotation	(+)-Gallocatechin
Peak:m/z	Relative Intensity
50.66964	3.4
52.86338	2.4
52.91346	2.8
57.03329	8.8
57.50418	2.7
59.01257	8.7
60.42352	3.1
69.03333	4.3
69.58031	20.1
71.01273	6.1
71.74703	2.6
75.58028	2.4
78.67554	2.7
81.03359	4.8
83.01260	8.0
85.02814	5.9
93.03395	4.7
95.01252	7.7
95.04892	5.4
97.02835	12.4
99.00784	19.2
99.04408	5.7
100.31503	2.8
101.02324	3.9
109.02872	37.6
111.00796	32.1
111.04472	3.7
113.02340	6.6
121.02840	5.5
123.00803	9.7
123.04413	13.1
124.01550	4.3
125.02370	48.9
126.02686	4.7
126.54568	2.5
133.02899	5.1
135.04398	7.6
137.01521	3.4
137.02386	32.0
139.00331	31.6
139.03917	11.3
140.01036	4.8
141.01840	7.3
149.02351	11.0
149.05994	4.2
151.03944	7.6
153.01910	3.9
159.04494	6.2
161.02376	22.4
162.03157	7.4
163.03958	4.9
165.01927	13.4
165.05533	3.3
167.03419	12.2
173.06012	4.1
175.03972	3.4
177.05510	10.7
179.03351	4.9
195.02913	3.3
201.05498	5.1
203.03474	5.5
205.05040	4.8
219.06638	9.4
221.04549	3.2
225.05634	3.5
243.06561	9.0
246.50793	2.5
259.06195	3.0
269.04468	3.3
287.05750	13.4
305.06689	100.0
306.06879	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	301.0361
Annotation	Quercetin
Peak:m/z	Relative Intensity
63.02284	7.5
65.00209	12.7
69.81055	1.7
81.03349	0.3
83.01275	7.8
93.03362	2.9
95.01287	0.5
107.01298	21.0
108.01617	0.4
109.02864	2.4
121.02872	19.0
122.03220	0.7
124.01538	0.6
125.02353	0.7
134.89580	0.3
135.00850	0.3
135.04468	0.4
137.02397	0.3
139.03952	2.0
142.48929	0.3
145.02840	0.4
146.03581	0.5
148.01604	0.3
149.02383	3.1
151.00317	65.8
152.00627	1.8
155.05112	0.3
159.04491	0.9
161.02415	0.9
163.00323	1.2
163.02708	0.3
163.03986	1.3
164.01103	1.4
169.01357	3.5
175.03998	0.7
178.99832	23.9
180.00148	0.9
183.04533	0.7
185.06055	0.3
187.03955	0.9
192.00690	0.3
193.01352	1.1
197.64882	0.3
201.05643	0.5
203.03529	0.5
205.05103	1.0
211.03952	1.2
215.03387	0.3
217.05162	0.3
223.62024	0.3
227.03548	1.0
228.04085	0.3
229.05066	2.6
243.03081	0.6
244.03723	0.3
245.04576	1.6
255.03078	0.8
256.03726	0.5
256.27304	0.3
257.04584	1.1
271.02481	0.5
272.03049	0.6
273.04102	3.1
274.04407	0.3
284.03320	0.7
299.02142	0.5
300.16837	0.6
301.03601	100.0
302.03937	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	300.1249
Annotation	Morphine N-oxide
Peak:m/z	Relative Intensity
59.01254	1.5
62.87147	0.3
63.02284	0.6
65.00208	0.8
71.01279	0.4
71.57784	0.5
81.03355	0.4
83.00756	0.3
83.01273	0.8
93.03369	1.7
95.04948	0.6
107.01299	1.5
109.02790	0.4
111.04446	1.4
113.05963	1.6
117.03379	20.6
118.03703	0.9
119.04945	27.0
120.05317	0.5
121.02864	5.1
123.00773	0.4
123.04436	1.5
133.02884	0.8
134.03670	0.6
138.05559	2.0
141.03340	0.4
145.02887	69.4
146.03223	5.2
151.00317	4.0
152.01073	0.4
158.98917	0.4
160.26321	0.3
161.02428	0.4
162.03212	1.7
163.00313	0.4
163.03954	12.6
164.04305	0.5
169.01387	0.6
178.99814	1.3
199.33488	0.4
206.99290	0.4
208.00070	0.5
218.00674	0.8
221.19119	1.2
245.04567	1.6
257.11765	1.6
259.09772	3.5
265.18134	0.6
272.02969	1.8
272.05594	0.5
273.04202	2.7
273.11334	1.3
283.19095	0.9
283.99683	0.8
300.02878	3.0
300.12476	100.0
300.16748	7.2
300.99960	7.2
301.03568	5.8
301.12723	6.6
301.20123	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0568
Annotation	Chrysoeriol
Peak:m/z	Relative Intensity
59.01304	0.6
63.02335	0.4
65.00257	0.6
70.96319	1.0
83.01340	0.4
95.93873	0.4
97.60217	0.3
107.01302	1.9
109.02851	0.4
110.55952	0.3
117.03397	4.5
119.05023	1.2
121.02973	1.0
132.02213	0.9
133.03008	1.2
134.03729	0.5
145.02896	25.4
146.03366	0.7
151.00310	3.2
163.04002	0.7
164.70563	0.3
171.04575	0.6
178.99879	0.9
183.04518	0.7
188.04755	0.4
199.03966	1.2
211.03996	0.7
217.00407	1.2
227.03506	2.9
228.04158	0.6
255.03021	1.7
256.03818	27.9
257.04077	1.9
271.02536	3.0
283.02621	0.8
284.03326	100.0
285.03708	6.9
292.71161	0.4
299.02225	5.4
299.05658	78.2
299.16599	46.6
300.02682	0.6
300.06018	6.3
300.16891	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1294
Annotation	alpha,alpha'-Diethyl-3,4,3',4'-stilbenetetraol
Peak:m/z	Relative Intensity
59.01265	15.5
70.71445	0.3
70.73931	0.7
70.74294	0.7
79.16599	0.3
79.95640	1.9
81.03350	0.5
83.04455	0.6
83.04916	6.7
85.52850	0.3
93.03324	0.5
95.95123	0.5
96.95916	10.0
102.40205	0.3
109.51826	0.3
110.03664	1.6
117.03380	19.3
119.04939	8.8
120.05296	0.4
121.02878	4.8
123.04430	1.9
124.05209	0.3
125.09642	0.8
131.04932	0.9
132.98181	0.5
133.02882	1.5
134.03673	0.4
138.05524	1.1
145.02888	100.0
146.03238	3.5
147.03362	0.4
147.04428	0.5
153.09157	5.2
162.03162	1.9
163.03957	5.0
165.79921	0.4
171.04485	0.4
174.99219	5.1
189.01906	0.3
199.04019	1.2
206.17033	0.3
217.00304	16.2
218.00537	0.5
227.03391	0.5
255.13940	6.1
256.14383	0.4
271.02521	4.7
284.03455	0.4
299.02066	7.1
299.13022	66.3
299.16602	56.9
299.25967	1.3
300.02426	0.9
300.13318	5.5
300.16962	4.1
319.45969	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1296
Annotation	alpha,alpha'-Diethyl-3,4,3',4'-stilbenetetraol
Peak:m/z	Relative Intensity
53.57381	0.3
57.93077	0.2
59.01263	5.6
60.62372	0.2
63.02293	0.5
65.00211	0.3
70.16074	0.4
70.16469	0.5
107.01282	0.2
109.02868	0.4
117.03376	4.5
119.04944	1.5
121.02892	1.6
123.04433	0.5
128.13452	0.2
129.36046	0.2
133.02878	10.9
134.03685	0.3
135.04446	7.4
136.04781	0.3
137.02396	0.3
138.05574	0.4
143.04936	0.3
145.02888	24.5
146.03214	1.0
151.00288	0.3
152.12637	0.2
157.02879	0.4
161.02391	100.0
162.02724	4.3
163.03993	1.5
166.58549	0.2
171.04405	0.9
174.99220	1.7
175.03976	0.4
177.05518	1.7
178.99789	0.2
179.03510	0.3
187.03972	0.3
195.95665	0.2
198.03188	0.3
199.03976	1.4
201.01961	0.4
205.05054	30.2
206.03667	0.3
206.05389	1.3
215.03482	0.6
217.00304	6.4
218.00609	0.3
227.03441	0.6
243.03017	0.9
255.17653	0.3
271.02539	8.8
272.02905	0.7
299.02066	9.6
299.12946	61.6
299.16571	43.7
299.25940	0.6
300.02399	1.0
300.13290	4.8
300.16913	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	299.1659
Annotation	4-Androsten-3,17-dione 19-aldehyde
Peak:m/z	Relative Intensity
50.40454	0.0
67.48443	0.0
70.05875	0.1
70.06367	0.1
74.96167	0.0
77.45939	0.0
88.45577	0.0
92.76434	0.0
93.03358	0.1
105.03397	0.1
108.02126	0.1
116.02428	0.0
117.03376	15.3
118.04161	1.0
118.04965	0.1
119.04945	3.6
121.02874	3.2
123.04446	1.2
132.02077	0.0
133.02878	0.7
134.03677	0.4
145.02887	65.3
146.03221	0.2
147.04463	0.2
149.02342	0.1
151.11201	0.3
153.12759	0.3
162.03160	1.2
163.03958	1.7
166.44260	0.0
188.78830	0.0
207.35063	0.0
211.04202	0.0
244.14679	0.0
253.01849	0.0
283.75397	0.0
296.76816	0.0
299.16571	100.0
300.16943	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0205
Annotation	Isodemethylwedelolactone
Peak:m/z	Relative Intensity
62.08464	0.4
63.01982	0.4
63.02285	4.4
63.86869	0.4
65.00201	2.3
67.06223	0.4
70.34464	1.8
71.12750	0.5
79.01791	0.4
79.63724	0.4
83.01259	1.2
90.42665	0.4
91.01773	0.7
95.01289	0.7
107.01291	4.5
109.02875	4.2
115.05411	1.4
117.03318	0.6
119.01279	0.5
125.70351	0.4
133.02867	8.5
134.00009	0.4
135.00780	1.3
136.96242	0.4
143.04984	4.6
145.02913	3.6
147.00768	1.2
147.04428	1.0
148.80576	0.5
151.00285	2.8
153.03357	0.6
155.04929	1.3
157.02898	3.0
159.04350	0.7
169.02856	1.1
171.04469	7.8
172.04764	0.8
173.02419	2.2
175.03958	3.4
182.03668	1.0
183.04567	1.0
185.02350	0.6
187.03987	4.1
189.05542	0.5
197.02412	2.3
198.03198	2.5
199.03975	15.1
200.04343	1.3
201.01898	5.2
203.03424	1.6
213.01888	1.2
214.02615	1.3
215.03506	6.1
225.01979	0.9
226.02710	3.2
227.03493	7.4
228.03868	0.6
229.01413	0.6
242.02211	2.6
243.03006	6.7
255.03038	1.8
271.02533	76.5
272.02911	6.3
282.01645	0.9
299.02039	100.0
299.16556	5.2
300.02487	10.8
303.07336	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0203
Annotation	Isodemethylwedelolactone
Peak:m/z	Relative Intensity
59.01249	1.2
63.02279	1.9
65.00219	2.9
71.01298	1.2
71.15215	2.6
83.01271	1.1
86.76411	0.7
87.04404	1.2
107.01297	3.3
107.17339	0.7
107.40052	0.9
109.02879	4.1
115.05462	1.1
117.03403	3.1
119.04876	1.0
119.82381	0.7
126.87090	0.8
133.02878	5.7
135.00826	0.9
141.45612	0.9
143.04948	3.5
145.02895	14.9
147.04507	1.1
148.01633	1.1
151.00336	2.5
155.04953	1.3
157.02927	1.5
163.00438	0.9
171.04459	4.3
173.02390	1.2
175.04042	2.2
183.04430	1.1
183.10242	3.2
187.03938	3.0
197.02423	1.9
198.03223	1.8
199.03993	11.5
201.01900	3.9
214.02902	0.8
215.03606	5.2
226.02644	2.5
227.03487	8.3
242.02354	1.7
243.03053	9.9
255.03024	7.7
271.02548	87.9
272.02945	3.1
282.01755	1.0
299.02051	100.0
299.16599	24.8
299.26041	1.0
300.02744	33.5
300.16919	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	299.0205
Annotation	Unknow
Peak:m/z	Relative Intensity
57.73025	0.3
63.02283	3.3
65.00197	2.0
71.12754	0.4
71.37302	0.4
71.37627	0.3
83.01261	1.1
89.00245	0.4
91.01761	0.4
92.99664	0.3
104.67687	0.3
107.01309	3.1
109.02852	3.7
115.05434	0.6
117.03355	0.9
119.01279	0.4
119.04933	0.4
121.02853	0.7
131.04932	0.4
133.02887	7.0
134.03235	0.4
135.00807	0.8
139.03931	0.5
143.04944	3.4
145.02869	4.4
147.00798	0.6
147.04414	1.3
151.00316	2.1
155.04982	1.0
157.02866	2.1
159.04436	0.7
161.02338	0.3
161.06050	0.3
163.04007	0.4
169.01410	0.4
171.04465	5.9
172.04843	0.4
173.02365	1.3
175.03963	2.6
182.03596	0.5
183.04524	0.7
185.02382	0.5
187.03998	3.3
189.05595	0.6
197.02419	1.3
198.03204	2.3
199.02127	0.7
199.03987	13.5
200.04257	0.6
201.01917	4.7
203.03519	1.1
213.01878	0.5
214.02702	0.7
215.03497	4.9
216.03856	0.4
225.01927	0.6
225.11288	0.3
226.02721	2.2
227.03500	5.5
229.01381	0.5
241.01292	0.7
242.02284	1.7
243.03008	6.6
244.03473	0.4
255.03072	1.5
271.02536	76.6
272.02893	6.6
282.01779	0.7
299.02039	100.0
299.16565	4.7
299.98950	0.7
300.02383	8.6
300.16916	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0205
Annotation	Isodemethylwedelolactone
Peak:m/z	Relative Intensity
59.01270	4.2
60.18962	0.5
62.71930	0.5
63.02287	4.1
65.00186	2.0
69.95197	2.5
70.39441	0.5
83.01274	0.6
83.40672	0.5
89.00224	0.9
98.60166	0.6
107.01297	3.2
109.02876	3.0
109.28629	0.6
117.03366	4.7
119.04938	1.6
120.53468	0.5
121.02834	1.3
130.74884	0.5
131.04988	0.5
133.02878	7.0
135.00822	0.9
143.04945	3.0
145.02887	22.7
146.03232	0.9
147.00937	0.7
147.04422	1.1
151.00291	2.1
155.04996	0.7
157.02870	1.7
159.04518	0.9
161.02364	0.8
163.03973	1.0
169.02809	0.8
171.04485	5.4
173.02422	1.2
174.99193	1.8
175.03992	3.3
183.04465	1.1
184.69571	0.6
185.02435	0.7
187.03964	2.8
189.05573	0.7
197.02409	1.4
198.03217	2.6
199.03998	11.2
200.04272	0.6
201.01895	4.4
202.02296	0.5
203.03346	0.8
213.01955	0.7
214.02776	0.9
215.03531	5.2
216.03629	0.7
217.00307	5.9
225.01999	1.0
226.02722	2.7
227.03523	5.9
231.17542	0.8
242.02254	1.6
243.02995	6.0
255.03030	1.8
271.02533	70.9
272.02829	4.2
299.02039	100.0
299.16562	41.6
300.02383	7.5
300.16916	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	299.0205
Annotation	Isodemethylwedelolactone
Peak:m/z	Relative Intensity
50.42902	0.4
56.76979	0.4
59.01251	0.5
63.02288	3.8
65.00199	2.3
68.60545	0.3
71.05298	0.4
71.13075	0.7
71.13398	0.4
79.17778	0.3
83.01255	1.1
89.00207	0.6
91.01774	0.4
94.81242	0.3
95.01264	0.5
103.93502	0.4
105.40846	0.4
107.01301	3.1
109.02848	4.4
110.93288	0.3
115.05448	0.9
117.02660	0.3
117.03373	2.0
119.01280	0.8
119.04924	0.4
119.76768	0.3
121.02858	0.4
123.00865	0.4
131.04921	0.4
133.02881	6.7
135.00809	1.3
139.03911	0.5
143.04962	3.0
145.02884	7.9
146.03259	0.4
147.00797	0.6
147.04417	1.0
149.02379	0.7
151.00291	2.6
155.04967	1.1
157.02869	1.4
159.04434	0.7
169.01413	0.4
169.02797	0.4
170.03680	0.7
171.04460	7.0
173.02399	2.1
175.03983	4.6
182.03654	0.6
183.04506	1.0
185.02464	0.5
185.94962	0.4
187.03973	3.8
189.01871	0.5
189.05618	0.6
197.02423	1.6
198.03160	2.1
199.03981	15.0
200.04375	0.6
201.01924	5.2
203.03519	1.1
213.01895	0.7
214.02785	0.7
215.03490	7.0
217.00305	0.5
219.13934	0.4
225.01871	0.4
226.02713	2.9
227.03514	4.8
228.03690	0.4
229.01338	0.4
241.01442	0.5
242.02190	2.1
243.03012	7.1
253.54005	0.4
255.02989	1.6
263.12976	0.8
271.02536	83.4
272.02869	5.9
282.01642	0.9
299.02036	100.0
299.16568	11.2
300.02396	8.6
300.16788	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
69.46868	1.8
84.49734	0.2
93.03352	1.0
93.68385	0.3
95.01257	0.3
105.03357	0.6
108.02055	0.3
117.03375	42.7
118.04215	6.0
118.77861	0.2
119.04949	9.9
120.05317	0.4
121.02871	28.7
122.03209	0.6
123.04438	9.2
128.03117	0.3
132.02113	0.2
132.05713	1.9
133.02888	7.1
134.03664	3.0
145.02881	9.5
148.47499	0.2
149.02431	0.6
162.03174	26.1
163.03970	2.6
185.09578	0.4
203.90910	0.3
222.23451	0.3
235.56041	0.2
252.52129	0.2
253.15996	6.8
254.16428	0.4
297.15009	100.0
298.15344	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	297.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
58.60239	0.3
70.11018	1.3
105.24851	0.3
108.02071	0.3
117.03374	17.6
118.04239	1.4
119.04907	0.9
121.02866	7.1
123.04432	2.5
133.02879	1.5
134.03651	0.8
145.02887	32.5
146.03226	1.6
151.11217	0.3
162.03174	9.8
163.03722	0.8
165.89676	0.2
253.16037	0.3
254.10732	0.3
274.07413	0.3
297.15021	100.0
298.12103	0.6
298.15375	10.7
309.07999	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64701	0.2
61.94268	0.2
69.57831	0.2
69.58050	0.7
69.58459	0.8
88.57172	0.2
93.03331	0.2
98.19798	0.4
114.68793	0.2
117.03378	9.9
118.04169	0.9
119.04945	19.7
120.05260	0.4
121.02870	3.7
123.04437	1.7
133.02902	0.7
134.03728	0.4
135.08057	0.2
145.02887	33.0
146.03250	1.2
162.03165	2.4
163.03955	15.1
164.04279	0.4
217.75018	0.2
230.26198	0.2
238.77843	0.2
241.45190	0.2
297.15009	100.0
298.15341	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	297.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72252	0.4
52.08630	0.3
70.49726	1.1
71.49246	0.3
89.44830	0.3
93.03353	1.2
105.03384	0.9
108.02103	0.3
117.03374	40.3
118.04184	7.0
119.04945	16.0
120.05286	0.7
121.02869	41.2
122.03181	0.8
123.04438	14.0
124.04727	0.3
132.02165	0.5
133.02882	8.5
134.03667	3.9
145.02888	11.5
146.07248	0.4
147.61957	0.3
149.02406	0.9
162.03172	18.5
163.03951	28.0
164.04317	1.1
184.08897	1.0
223.11314	0.5
233.82047	0.3
237.12679	0.3
238.13470	0.5
249.92456	0.4
253.16006	3.3
297.15012	100.0
298.15375	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	297.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01260	0.6
64.37476	0.3
69.03344	0.5
71.28752	0.7
117.03374	20.6
117.57214	0.3
118.03698	0.8
119.04937	2.9
121.02880	1.8
123.04433	0.5
145.02888	91.8
146.03218	3.7
147.04488	0.6
151.11217	0.4
162.03162	0.6
163.03979	1.3
205.76118	0.3
297.15018	100.0
298.15353	9.5
304.04462	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1198
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01774	1.9
57.03336	1.7
58.00473	3.3
59.01266	88.8
67.05658	1.1
69.38770	12.0
71.01272	59.3
72.99205	3.7
73.02834	10.9
83.01289	2.9
85.02845	14.8
87.00780	4.5
89.02344	85.0
95.01294	3.6
97.02866	1.1
99.00787	2.3
101.02351	46.6
102.02666	1.2
104.21254	1.2
105.01852	7.4
107.04939	5.1
113.02367	30.1
119.03428	37.0
123.17469	1.2
129.70200	1.0
131.03459	3.6
131.35963	1.1
135.04451	39.0
135.06573	33.6
135.07632	1.3
135.52939	1.0
136.04797	1.5
143.03432	8.6
145.02916	3.4
149.04506	3.2
161.04514	25.5
179.05588	30.1
179.07173	1.5
195.08659	1.2
195.58643	1.1
237.09796	3.3
256.75641	1.3
267.66074	1.2
297.11996	100.0
297.15005	8.3
297.24417	2.4
298.12253	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	297.12
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00473	3.7
59.01265	100.0
71.01273	51.7
71.56073	2.0
71.56445	1.8
72.99197	4.6
73.02824	7.3
74.99684	1.5
75.00762	2.1
83.01278	4.5
85.02847	18.2
87.00798	2.5
89.02341	66.7
90.63895	1.6
95.01268	3.5
99.00759	2.5
101.02343	32.8
105.01835	4.4
107.04902	3.2
109.02882	1.5
113.02365	21.0
117.03349	2.7
117.05460	1.9
118.66825	1.9
119.03426	24.3
131.03432	1.9
134.80003	1.7
135.02913	2.0
135.04457	18.4
135.06555	21.9
143.03415	3.3
145.02924	3.3
151.02835	1.8
159.02879	1.8
161.04495	12.0
162.03159	2.1
179.05547	16.9
237.09796	2.8
297.12030	48.4
297.15042	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	295.2288
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
54.58968	0.8
57.03337	1.9
59.01262	9.1
69.03362	0.9
69.33717	2.2
69.34122	6.6
71.01247	1.1
98.19809	1.4
98.29298	0.9
98.91454	0.8
99.08058	1.2
111.08063	0.8
121.24541	0.9
125.09674	1.3
127.25188	0.8
151.11256	1.1
171.10222	49.6
172.10506	1.9
183.10225	2.5
195.13647	1.0
251.23730	1.4
277.21780	57.7
278.22116	5.4
295.22842	100.0
296.23163	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	295.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58968	0.8
57.03337	1.9
59.01262	9.1
69.03362	0.9
69.33717	2.2
69.34122	6.6
71.01247	1.1
98.19809	1.4
98.29298	0.9
98.91454	0.8
99.08058	1.2
111.08063	0.8
121.24541	0.9
125.09674	1.3
127.25188	0.8
151.11256	1.1
171.10222	49.6
172.10506	1.9
183.10225	2.5
195.13647	1.0
251.23730	1.4
277.21780	57.7
278.22116	5.4
295.22842	100.0
296.23163	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	297.1199
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	0.9
57.03329	1.2
58.00483	3.0
59.01266	89.0
70.59986	2.6
71.01272	49.6
72.99206	2.5
73.02840	6.2
76.65079	0.6
81.03364	0.8
83.01273	2.9
85.02841	12.6
85.26001	0.7
86.03146	0.6
87.00787	3.9
89.02340	71.6
90.02653	0.8
94.46473	0.7
95.01277	2.6
97.02864	1.0
99.00768	2.2
101.02351	37.0
106.01211	0.7
110.90747	0.7
111.75240	0.7
113.02356	25.3
114.02686	1.3
119.03419	37.7
119.74818	0.6
120.03695	0.6
125.02391	0.7
129.01805	0.6
131.03397	4.6
135.04416	1.1
135.06561	24.6
143.03447	9.6
145.02892	1.1
149.04485	4.5
153.77295	0.7
159.02930	1.7
161.04512	28.4
167.44942	0.6
179.05576	39.8
180.05891	1.1
237.09776	10.0
297.11984	100.0
298.12289	5.7
309.93076	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2285
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
56.97786	0.5
57.03351	0.8
59.01256	1.3
62.04021	0.4
69.03337	0.5
70.51002	1.6
73.25552	0.4
75.58599	0.4
83.04898	0.5
99.08067	0.7
125.09631	1.7
127.11218	0.7
141.12753	1.0
159.29837	0.4
171.10226	31.0
172.10571	1.1
195.13893	1.7
242.33731	0.5
277.21783	40.2
278.22083	3.1
295.22839	100.0
296.23166	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	295.2288
Annotation	13(S)-HODE
Peak:m/z	Relative Intensity
56.71463	0.4
59.01266	6.5
69.03347	0.5
70.72605	1.4
71.01273	0.9
72.99197	0.5
73.02821	0.7
79.98270	0.4
80.07738	0.4
83.04913	0.5
83.61317	0.4
88.44459	0.4
98.95505	1.5
101.02351	0.6
109.06516	0.6
126.69567	0.5
127.11179	1.1
127.25771	0.4
133.06483	0.4
139.11179	0.7
141.12785	8.6
145.02846	1.0
155.14337	3.7
159.34192	0.4
169.15923	0.6
235.08224	0.5
247.20676	0.6
249.22295	9.2
250.22621	0.7
277.21783	0.8
293.21603	0.5
295.13513	1.5
295.22845	100.0
296.23190	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.104
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03333	2.4
58.00471	2.7
59.01265	82.1
61.76350	2.0
69.79126	4.3
69.79539	6.8
71.01270	37.8
72.99189	3.0
83.01271	2.4
85.02843	8.2
85.65380	1.8
87.00735	2.4
89.02337	36.7
95.01294	4.2
98.19826	2.0
101.02348	29.1
113.02351	13.6
119.03416	20.2
143.03433	3.0
161.04427	2.7
218.76007	2.2
227.37531	2.3
272.76572	2.1
285.68918	2.1
290.17990	2.0
295.10397	100.0
296.10699	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	295.104
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00475	2.6
59.01265	65.1
64.74910	1.0
67.00358	1.0
69.65758	7.1
69.66164	1.8
71.00899	1.8
71.01274	32.7
72.99193	4.1
73.02847	2.1
75.00761	11.4
83.01259	1.4
85.02834	7.2
89.02341	35.6
99.47313	1.2
101.02350	17.1
103.00257	5.7
113.02338	12.1
115.00301	2.1
115.03921	4.9
119.03415	15.0
130.42427	1.2
131.03404	1.1
133.04958	4.9
145.37869	1.1
149.04428	1.1
161.04454	2.0
179.05548	2.1
237.06158	4.6
266.20477	1.1
295.10416	100.0
296.10657	7.5
303.36765	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	0.5
69.03333	0.6
71.01270	0.8
71.58822	0.8
72.99201	1.2
77.59495	0.5
83.04929	0.6
85.55861	0.5
92.81776	0.4
109.66072	0.5
110.02438	0.4
113.09636	0.6
117.03369	1.1
125.09676	0.8
139.11212	3.2
139.91545	0.5
153.12775	2.4
191.18013	4.0
221.15524	0.6
224.14191	0.9
247.20728	3.3
275.20035	0.5
293.21295	100.0
294.21625	9.5
299.16629	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.0982
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01259	0.4
61.65122	0.1
61.84054	0.1
62.56871	0.1
69.07498	0.1
70.88705	0.3
70.89047	0.1
77.03853	0.2
77.81952	0.1
89.23055	0.1
91.73743	0.1
105.03375	0.2
108.97338	0.2
115.01811	0.2
117.03376	0.3
123.04420	0.2
131.04919	0.2
132.02097	1.6
132.05740	0.6
133.02882	29.4
133.06517	10.8
134.03209	1.1
134.06902	0.4
135.04446	0.6
161.02390	100.0
162.02730	4.5
236.19566	0.1
295.09818	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03338	2.7
59.01271	3.8
61.01870	0.5
63.75182	0.6
70.34361	0.6
70.34700	2.2
71.01263	1.8
79.95168	0.5
83.04946	0.6
84.35161	0.5
89.02330	0.9
93.94669	0.5
97.06475	0.9
98.20536	0.6
113.08900	1.0
113.09625	8.3
117.03396	0.6
121.10149	9.5
125.09647	2.4
138.43324	0.5
141.12790	0.8
149.09715	1.2
167.10710	1.0
171.10222	18.3
172.10500	0.6
179.10709	0.7
183.10190	1.0
185.11754	4.8
192.88858	0.5
195.13867	1.4
197.11830	1.4
220.14725	1.0
221.15462	2.1
231.21211	1.9
235.17078	2.3
236.10582	1.2
243.83676	0.6
249.22246	1.1
275.20215	28.6
276.17972	0.5
276.20520	3.1
293.21286	100.0
294.21631	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	293.213
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19448	0.3
54.77375	0.3
56.16669	0.3
57.03331	1.0
65.64323	0.3
70.88598	0.9
72.37769	0.3
94.60880	0.3
97.06493	1.1
102.12836	0.3
105.24239	0.3
123.08102	0.4
125.09652	4.6
132.56944	0.3
138.88770	0.3
141.12743	1.2
149.09628	1.7
151.11234	0.3
167.14317	0.4
185.11786	8.9
197.11778	2.0
247.76503	0.3
249.22295	0.9
263.10605	0.3
263.20120	0.3
275.20462	0.5
293.21283	100.0
294.21606	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	293.213
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69057	1.0
57.03326	1.0
57.25150	1.0
59.01252	3.5
70.50507	1.7
70.50847	1.6
71.46033	1.0
71.94170	1.0
78.46349	1.0
96.43217	1.0
108.98892	1.0
113.09623	1.2
121.10154	41.2
121.22993	1.1
122.10464	1.5
125.09648	2.0
171.10223	72.1
172.10558	1.6
181.18640	1.0
183.13844	1.6
185.11830	3.2
196.63103	1.0
231.21190	4.9
275.20206	100.0
276.20517	11.2
293.21298	68.4
294.21478	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	293.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	1.1
59.09215	0.5
69.26818	2.8
69.27237	3.7
73.85818	0.5
120.07416	0.6
151.91948	0.6
163.02626	0.6
179.14375	0.9
195.13882	12.0
196.14590	1.7
211.13329	1.0
223.13402	12.4
228.13750	1.4
236.40570	0.6
256.13284	4.4
260.81763	0.6
265.21948	0.7
275.20230	7.6
276.20496	0.8
293.21301	100.0
294.21564	9.5
305.84686	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50087	0.7
57.03339	1.7
59.01263	6.0
71.01272	1.6
71.04900	5.3
84.21866	0.7
87.04390	1.6
89.02355	1.1
90.21465	0.8
97.06511	0.9
100.38058	0.7
113.09637	1.4
121.08797	0.9
165.33075	0.7
205.16039	1.0
209.15392	1.6
221.15390	2.1
223.17015	6.0
229.25407	0.7
231.21254	1.7
233.15608	0.9
235.17049	43.8
236.17406	3.0
251.16705	0.8
275.20215	44.6
276.20584	3.2
293.08887	3.8
293.21292	100.0
294.21600	8.5
307.51462	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1768
Annotation	Nordihydrocapsiate
Peak:m/z	Relative Intensity
56.75260	0.3
58.21340	0.3
71.01272	7.5
71.57701	0.4
75.28405	0.2
88.62358	0.3
94.11322	0.3
95.68115	0.4
98.30731	0.3
127.07580	0.7
148.05179	0.5
150.98737	0.2
151.07532	0.6
152.93044	0.3
164.08415	1.5
177.09178	5.2
178.09579	0.4
192.11530	6.7
193.12047	0.7
195.25723	0.3
205.12337	6.4
206.12788	0.4
207.13834	1.4
217.08702	0.5
218.09425	2.0
220.14694	50.1
221.15468	100.0
222.15796	5.3
235.13397	1.4
236.10561	70.8
237.10945	3.5
264.98535	0.3
293.17679	11.1
294.18076	0.6
297.85721	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.213
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03336	5.5
59.00990	0.5
59.01267	5.9
61.98721	0.4
69.03353	0.4
69.79616	1.1
71.01263	1.8
72.99193	0.3
73.02814	0.3
77.88728	0.3
83.04909	0.3
85.02822	0.4
85.06485	0.4
89.02336	1.1
95.04896	0.4
96.95916	0.4
97.06468	0.8
101.37099	0.3
109.06476	0.5
111.86014	0.3
113.09634	21.4
114.10007	0.7
121.06445	0.3
127.85642	0.2
131.03423	0.3
135.11713	0.4
139.11226	2.6
149.04518	0.3
149.09634	0.7
152.91701	0.4
157.08620	0.3
158.29442	0.3
161.04471	1.2
163.11192	0.3
167.10750	2.4
177.09248	0.3
177.12779	1.0
179.10750	2.2
183.14175	0.3
185.11812	0.3
192.11584	0.3
195.13866	3.5
195.17570	0.3
220.03619	0.3
220.14661	2.3
221.15463	4.6
222.15845	0.4
233.10361	0.9
236.10550	3.2
249.22260	2.1
268.46457	0.2
275.20285	1.0
285.21408	0.3
293.08917	1.5
293.21292	100.0
294.18311	0.4
294.21622	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	292.0867
Annotation	Triadimefon
Peak:m/z	Relative Intensity
51.60859	0.2
53.14349	0.2
59.01257	0.9
59.23616	0.2
60.46426	0.2
68.02425	100.0
69.02119	0.4
69.02757	0.8
71.01254	0.4
71.58249	0.4
74.70179	0.2
82.81538	0.2
83.34518	0.2
89.02331	0.4
91.16515	0.2
101.92891	0.2
105.25268	0.2
121.02916	0.2
126.99477	2.6
141.98126	0.4
152.08212	1.3
156.13930	0.5
161.42567	0.2
220.14812	0.4
221.15480	0.8
236.10548	0.6
292.08655	1.2
292.16330	0.4
292.19806	0.3
293.09039	0.6
293.21198	0.3
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
55.01771	3.6
57.03337	1.7
58.00486	1.7
58.41375	0.6
59.01265	31.5
61.98711	0.7
68.99722	0.7
69.03338	3.3
70.60571	1.9
71.01270	55.2
72.01627	0.8
72.99213	2.2
73.02838	85.8
74.03149	1.0
75.00749	0.8
81.03362	0.7
83.01282	6.3
85.02844	14.6
87.00777	4.5
89.02340	16.1
97.02843	4.7
99.00781	11.6
101.02350	65.2
102.02693	0.8
111.00797	2.6
113.02345	4.9
115.03949	4.1
117.01848	0.6
119.03409	0.7
120.79183	0.8
125.02379	13.1
125.03252	1.1
131.03432	12.8
132.03712	0.8
143.03432	9.4
149.04524	1.2
161.04504	11.0
173.04517	4.3
175.06067	1.0
189.98370	0.7
191.05589	6.3
203.05693	1.2
215.05569	1.9
233.06683	45.8
234.07054	2.5
251.33321	0.6
293.08853	100.0
294.09143	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	291.1976
Annotation	9-OxoOTrE
Peak:m/z	Relative Intensity
57.03347	1.8
59.01264	2.8
61.98733	0.5
68.02441	0.3
71.01258	0.6
71.04910	0.5
71.57735	0.5
74.39931	0.3
75.99763	0.3
83.04911	0.7
83.57013	0.3
93.03364	0.4
93.06992	0.9
95.04933	0.8
97.06499	1.3
111.08073	3.9
113.73488	0.3
115.24787	0.3
117.03323	0.5
119.04952	1.1
121.02886	1.0
121.10154	9.3
123.08078	0.6
125.09659	4.3
141.12735	0.5
145.02888	1.4
147.08049	0.6
163.11136	0.3
165.12759	0.3
167.10741	0.9
177.12785	0.9
179.10736	1.0
181.99324	0.4
185.11803	10.8
186.12175	0.5
193.66957	0.3
195.13899	3.1
197.11835	2.5
203.14589	0.3
209.04594	0.6
209.11795	0.9
211.13412	1.0
211.81721	0.3
223.13319	1.0
247.02405	0.4
247.13261	0.3
247.20743	1.2
262.42014	0.3
266.47586	0.3
273.18668	1.1
290.97369	0.4
291.19736	100.0
292.20071	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58228	0.3
59.01263	0.8
70.34647	0.5
70.35007	1.3
78.79745	0.3
85.06127	0.3
96.08418	0.4
97.06432	0.4
99.72413	0.3
102.99883	0.4
121.02888	0.4
124.92921	0.3
148.08862	1.3
150.10463	0.9
151.11230	0.5
163.11234	0.8
165.12801	19.0
166.13113	1.2
175.11171	0.5
176.12035	1.0
191.14334	0.8
217.15947	0.5
247.20695	10.6
248.21080	0.8
273.18674	6.6
274.18909	0.4
291.19730	100.0
292.20068	10.3
308.03082	0.4
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
50.96436	0.3
56.06544	0.3
57.03341	1.8
59.01259	0.7
69.03328	0.3
71.07649	0.5
93.06979	1.0
97.06497	1.6
98.52692	0.3
101.02995	0.3
121.02819	0.3
121.10153	14.9
122.10472	0.6
123.08083	1.2
125.09649	6.5
126.10035	0.3
135.53960	0.3
139.11195	0.4
141.12788	1.1
147.08109	1.1
181.28993	0.3
185.11804	13.1
186.12140	0.6
197.11787	3.4
209.11844	1.7
209.13510	0.3
211.13403	2.2
223.13347	0.7
239.61717	0.4
247.02382	0.4
247.20764	1.1
273.18698	1.1
289.18039	0.5
291.19727	100.0
292.20065	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	291.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65369	0.7
57.03337	1.5
59.01264	5.0
65.21655	0.8
68.02434	1.5
69.53457	3.4
69.53889	3.1
71.04904	1.4
76.44632	0.7
76.46920	0.7
83.04906	1.1
94.91663	0.7
95.04922	1.1
97.06463	0.8
104.86079	0.8
106.20424	0.8
111.08075	12.2
117.03398	0.9
119.08620	1.1
121.02886	1.0
137.09607	1.5
145.02890	2.1
167.10748	1.6
171.10274	1.6
176.60907	0.8
177.12804	1.5
179.10683	1.9
195.13896	7.7
199.12982	0.7
247.02493	2.9
247.20657	1.7
268.76260	0.9
273.18637	3.7
291.04504	1.3
291.19727	100.0
292.20032	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	291.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01782	0.6
55.28037	0.6
59.01267	3.9
63.14407	0.5
68.02425	1.7
68.75755	0.7
71.01256	0.7
71.04910	24.2
97.06491	7.1
111.08054	2.1
117.50972	0.6
127.93983	0.5
133.06558	0.8
181.12289	1.2
195.13858	1.8
207.13873	2.0
217.16032	0.7
219.13832	2.9
235.17081	3.8
247.02676	0.9
247.20694	2.4
273.18634	1.3
291.01251	0.7
291.19727	100.0
292.20029	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	291.1972
Annotation	13-epi-12-oxo Phytodienoic Acid
Peak:m/z	Relative Intensity
52.46453	0.4
52.78069	0.4
53.05496	0.4
59.01262	1.2
68.02415	0.8
69.30305	2.3
69.30727	2.0
69.73258	0.4
72.56840	0.4
73.02836	52.7
74.03175	0.9
98.19820	0.6
137.45117	0.4
158.16510	0.4
184.60893	0.5
209.04585	0.6
216.54538	0.4
247.02551	0.8
266.52774	0.5
291.19727	100.0
292.20065	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	289.1452
Annotation	1-Dehydro-[6]-gingerdione
Peak:m/z	Relative Intensity
59.01262	6.8
59.20086	0.9
71.57310	1.8
85.98073	1.0
93.03351	1.3
109.02876	2.8
121.02859	2.0
123.04431	1.1
125.02347	2.2
131.04346	1.0
133.02892	13.3
134.03676	10.7
135.04454	60.1
136.04768	1.8
137.02376	9.2
139.03935	3.6
161.02390	22.1
161.06062	1.0
162.02701	1.5
178.02643	2.0
178.99881	3.1
179.03456	29.0
180.03831	1.5
202.98567	1.1
289.07755	4.5
289.14532	100.0
290.14853	11.1
295.66400	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1818
Annotation	Ecklonialactone A
Peak:m/z	Relative Intensity
59.01253	1.0
69.92476	0.7
69.92885	0.8
71.10564	0.4
90.61053	0.3
93.03360	0.4
98.19824	0.3
117.03376	26.2
118.04268	0.6
119.04942	58.6
120.05278	1.7
121.02870	12.4
122.03223	0.6
123.04438	4.3
125.02347	0.3
127.11205	0.3
129.92320	0.3
133.02876	3.3
134.03667	1.1
145.02885	45.2
146.03229	1.3
149.02362	0.6
162.03177	4.4
163.03954	26.0
164.04253	1.3
202.52011	0.3
245.08264	0.3
264.37088	0.3
289.18149	100.0
290.18521	8.5
306.94434	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0725
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03333	5.8
60.00497	0.6
65.01817	0.5
67.26221	0.5
69.03345	0.8
71.15224	1.1
76.21877	0.6
81.03347	6.1
83.01275	6.2
93.03354	4.2
95.04923	10.0
97.02847	17.8
99.04377	1.1
101.40226	0.6
107.04936	0.7
108.02068	1.8
109.02859	62.4
110.03205	1.9
121.02853	7.3
122.03649	2.1
123.04437	41.9
125.02367	39.6
126.02663	0.6
128.05486	0.6
135.04436	4.9
137.02380	20.0
138.03127	2.2
139.03937	8.6
145.02852	2.9
146.03668	2.8
147.04485	1.4
149.02396	11.2
149.06041	0.7
150.03149	2.4
151.03949	22.7
152.04295	0.7
157.06560	0.9
159.04462	5.9
160.05278	3.7
161.02408	2.6
161.06026	12.3
162.03186	3.3
163.03960	2.9
164.01108	7.2
165.01888	9.5
166.02608	1.3
167.03461	4.5
173.06038	2.3
174.03185	0.7
175.04034	4.5
175.07599	4.4
177.05525	2.3
179.03477	13.6
180.03934	0.6
184.05238	0.7
185.05978	1.4
186.06795	1.1
187.03975	12.1
188.04755	9.4
189.05077	0.7
199.07681	1.7
201.05499	1.5
202.06300	4.4
203.07126	31.9
204.07466	1.5
205.05057	18.0
205.06653	0.3
205.07040	0.7
206.05412	0.8
212.04762	1.5
217.05025	0.7
217.08685	1.8
221.08197	11.0
227.07057	4.8
230.05888	2.4
231.02982	1.6
245.08214	36.6
246.08620	1.8
247.06094	2.9
271.06204	2.0
289.07242	100.0
290.07629	6.5
310.73392	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0726
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88761	1.7
55.87054	1.4
57.03330	6.7
59.01270	3.5
69.81745	10.2
81.03359	9.4
83.01273	9.6
90.96680	1.5
93.03373	4.6
95.04903	11.7
97.02849	21.0
98.20572	1.9
102.70069	1.6
109.02863	68.1
110.03164	2.1
121.02879	8.2
122.03626	3.7
123.04443	43.7
125.02380	39.5
135.04449	5.6
137.02365	21.3
138.03127	2.4
139.03943	11.1
145.02905	4.3
146.03645	3.6
147.04399	1.7
149.02379	10.9
150.03143	4.2
151.03955	24.2
159.04460	7.0
160.05247	4.7
161.02335	1.9
161.06009	12.3
162.03163	4.6
163.03867	3.8
164.01097	6.6
165.01874	9.2
167.03453	3.5
173.06090	3.2
174.03242	1.6
175.03987	4.2
175.07628	4.4
179.03481	11.2
185.06026	2.8
187.04002	10.5
188.04765	8.3
199.07596	1.8
201.05516	2.0
202.06366	4.6
203.07120	25.0
205.05048	13.5
221.08220	9.6
227.07195	3.9
245.08260	30.7
246.08597	2.3
247.05890	3.1
289.07263	100.0
290.07623	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	287.2234
Annotation	10,16-Dihydroxyhexadecanoic acid
Peak:m/z	Relative Intensity
57.03306	0.2
59.01255	0.7
69.68394	1.1
80.07303	0.2
81.46333	0.2
97.06489	0.2
97.88395	0.2
98.20522	0.3
99.08047	1.8
107.62560	0.2
109.06507	0.2
113.09602	0.3
125.02365	0.4
129.09143	0.7
141.01915	0.2
141.12784	2.1
155.14429	0.5
211.20734	0.2
235.03995	0.2
241.21695	0.9
269.21286	3.1
285.20770	1.8
287.22336	100.0
288.22690	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	289.0338
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	1.0
59.05421	0.3
64.35065	0.3
71.01281	1.0
71.56142	0.5
73.02862	0.3
77.13741	0.3
78.95804	2.1
85.02843	5.7
87.00773	1.2
93.03365	1.9
96.12075	0.3
96.95943	2.0
96.96867	4.7
109.02858	0.7
111.04408	0.9
127.03914	1.8
157.04962	0.3
171.03052	0.6
173.00879	0.5
173.04550	0.8
191.05588	100.0
192.05920	3.5
195.25066	0.3
289.03125	0.5
289.07141	0.5
304.64893	0.3
306.29599	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0338
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37174	0.2
52.46520	0.2
54.00256	0.2
59.01252	1.2
67.01757	0.2
69.03375	0.2
70.75483	0.4
71.01268	0.8
72.80694	0.2
73.02841	0.4
78.95793	2.4
81.03362	0.4
81.27489	0.2
83.01315	0.2
85.02847	7.8
86.03148	0.2
87.00764	1.3
93.03369	2.2
95.01287	0.2
96.95915	5.2
96.96870	3.7
98.95469	0.2
99.00778	0.2
99.04416	0.3
103.47235	0.2
109.02882	0.8
111.04445	0.8
111.79632	0.2
125.02388	0.2
127.03915	2.0
127.17580	0.2
142.96588	0.3
143.85628	0.2
149.46828	0.2
155.03392	0.2
171.02934	0.3
173.04579	0.9
184.97664	0.2
189.03981	0.2
191.05595	100.0
192.05936	3.3
202.98679	0.6
289.03149	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.2395
Annotation	Prosopinine
Peak:m/z	Relative Intensity
51.65299	0.4
59.01262	1.2
61.98717	0.9
62.18964	0.4
64.50287	0.4
69.26499	5.1
69.72484	0.5
70.02857	0.9
74.06004	1.9
79.86283	0.4
117.69502	0.5
118.05069	0.9
119.04929	0.5
125.02389	0.9
139.37424	0.5
225.61153	0.5
240.23299	3.4
242.21220	1.5
268.22910	1.0
286.04489	1.1
286.23938	100.0
287.24344	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	287.0568
Annotation	Eriodictyol
Peak:m/z	Relative Intensity
54.89111	0.3
61.98679	0.4
63.02288	2.2
65.00208	11.8
66.32296	0.4
71.31094	0.4
83.01273	5.6
87.93898	0.5
89.11862	0.4
90.03900	0.4
101.77172	0.4
107.01299	16.5
109.02890	2.5
125.02374	4.9
133.02927	0.6
134.03638	1.8
135.04448	100.0
136.04779	3.3
137.02367	0.6
149.06058	1.0
151.00308	92.0
152.00627	3.6
161.02391	0.9
165.01813	0.4
169.01341	2.0
229.30650	0.4
269.04724	0.8
287.05652	17.0
288.06024	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0621
Annotation	2-Hydroxy-3-(beta-D-xylopyranosyloxy)benzoic acid
Peak:m/z	Relative Intensity
59.55860	0.6
68.38040	0.6
69.45230	6.0
78.95782	4.7
81.03346	2.6
85.02843	0.9
95.01272	1.0
97.55546	0.6
98.19827	1.3
99.14161	0.6
105.01849	1.1
108.02073	100.0
109.02876	42.0
110.03174	0.9
110.98412	2.9
121.02889	1.1
123.00812	0.9
123.04400	1.0
127.40839	0.7
133.02876	0.8
135.00778	1.3
142.99771	2.0
151.03926	1.6
152.01085	57.3
153.01874	65.0
154.02180	1.8
163.04073	0.7
285.06216	66.0
286.06635	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	285.0623
Annotation	2-Hydroxy-3-(beta-D-xylopyranosyloxy)benzoic acid
Peak:m/z	Relative Intensity
59.62408	0.5
69.78503	1.2
69.78912	2.2
70.60883	0.5
81.03345	1.9
85.02840	1.1
95.01264	0.7
98.20438	1.0
100.76753	0.5
108.02073	92.6
109.02871	37.9
118.98019	0.6
121.02893	1.0
123.00781	0.5
123.04433	1.2
133.02922	0.6
135.00795	1.6
151.03996	1.4
152.01086	50.8
153.01872	65.0
154.02182	1.7
163.03960	1.0
183.70753	0.5
284.26810	2.5
285.06219	100.0
285.27234	1.1
286.06604	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	285.1503
Annotation	AC1L99NF
Peak:m/z	Relative Intensity
57.30624	0.2
59.01254	1.1
70.04063	0.3
70.77010	0.8
72.52700	0.3
73.86066	0.3
93.03362	0.5
96.57986	0.3
117.03374	19.0
118.04171	1.1
119.04169	0.6
119.04954	7.2
120.95982	0.3
121.02869	9.1
122.03203	0.3
123.04424	3.4
130.67854	0.3
132.05740	1.9
133.02885	2.4
134.03641	1.0
145.02885	45.7
146.03206	1.5
162.03157	3.4
163.03957	2.9
176.62074	0.3
196.31924	0.3
200.56662	0.3
284.26877	0.6
285.04303	3.8
285.15015	100.0
285.27191	1.2
286.04382	0.6
286.15366	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	285.0413
Annotation	Cyanidin
Peak:m/z	Relative Intensity
54.98020	0.2
59.01247	0.3
60.38105	0.1
63.02279	0.8
65.00211	2.6
70.51292	0.5
83.01280	1.5
93.03381	0.2
99.87608	0.1
105.03363	0.6
107.01295	4.0
109.02846	0.2
121.02874	0.8
125.02320	0.2
131.54062	0.1
132.02090	0.4
133.02878	24.7
134.03220	0.6
135.04327	0.2
143.04945	0.3
149.02386	3.4
151.00305	8.2
152.00670	0.4
154.04172	0.2
155.04976	0.3
167.04929	0.1
169.01324	0.2
169.06555	0.4
171.04459	0.5
173.02463	0.2
173.05960	0.2
174.03282	0.2
175.03961	4.9
176.04176	0.2
177.01810	0.3
185.06035	0.5
187.03954	0.3
189.05545	0.3
195.04478	0.2
197.06079	0.4
198.03186	0.7
199.02144	0.2
199.03987	3.7
200.04289	0.3
201.01935	1.4
201.05769	0.2
202.02460	0.2
211.04004	0.4
212.04613	0.2
213.05571	0.8
215.03534	0.8
217.05051	2.2
218.05525	0.2
223.04016	0.5
229.05103	0.3
239.03389	0.3
240.04282	0.3
241.05040	1.6
242.02153	0.3
243.03020	0.8
256.03656	0.3
257.04675	0.8
267.03015	0.5
284.26767	0.7
285.04105	100.0
286.04456	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	285.0412
Annotation	Luteolin
Peak:m/z	Relative Intensity
63.02284	0.8
65.00212	0.7
67.01773	0.2
68.99686	0.1
69.62753	0.7
75.94735	0.1
83.01288	1.0
91.01788	0.3
93.03359	2.5
95.01290	0.4
98.20551	0.1
106.11304	0.1
107.00629	0.1
107.01294	1.6
108.02066	0.5
109.02885	0.8
111.00848	0.1
115.05439	0.1
117.03376	0.7
119.01315	0.1
119.04961	0.2
121.02861	0.2
123.00800	0.4
123.04427	0.4
130.04179	0.4
131.04950	0.4
132.02075	0.1
133.02873	0.4
135.00804	0.7
137.02367	0.6
141.07059	0.1
143.04971	1.1
145.02907	0.9
145.06526	0.2
147.04501	0.1
151.00307	1.7
154.04184	0.9
155.05000	0.6
156.05643	0.1
157.02890	0.4
157.06517	0.8
158.03662	0.3
159.04472	1.5
161.02386	0.6
163.00305	0.6
164.01062	0.4
165.01865	0.4
167.04999	0.5
168.05724	0.4
169.01358	0.3
169.06531	1.1
171.04460	1.3
173.02390	0.6
173.06026	0.1
174.03160	0.1
175.04024	0.1
182.84552	0.1
183.04460	0.4
184.05240	0.5
185.06049	2.2
187.03972	1.7
189.05542	0.3
192.00606	0.2
195.04463	0.4
197.06102	0.2
198.03221	0.3
199.03970	0.4
201.05571	0.7
211.04030	1.3
212.04633	0.3
213.05513	0.9
214.02698	0.9
215.03503	0.5
217.05090	0.2
219.02960	0.3
227.03587	0.6
229.02843	0.1
229.05077	1.7
239.03526	1.5
240.04236	0.4
241.05043	0.4
243.03020	0.7
255.03027	0.6
256.03784	0.3
257.04568	1.0
258.05139	0.1
267.02979	0.3
268.03809	0.4
284.03302	0.2
284.27240	0.1
285.04111	100.0
286.04453	6.5
286.07773	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	279.2334
Annotation	Linoleic acid
Peak:m/z	Relative Intensity
57.80969	0.4
71.35994	0.8
72.14637	0.4
143.27966	0.3
163.53682	0.3
279.23340	100.0
280.20718	0.7
280.23691	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	283.1347
Annotation	1,3-Di-O-[2',2'-di-(p-phenylene) isopropylidene] glycerol
Peak:m/z	Relative Intensity
59.01268	0.8
68.99704	0.4
70.09058	0.8
79.32025	0.2
81.20308	0.2
82.95344	0.2
117.03372	7.2
119.04955	2.8
121.02859	0.3
126.09203	0.2
128.10286	0.2
138.56007	0.2
143.04910	0.2
145.02887	100.0
146.03224	4.1
147.04460	0.5
154.15762	0.2
161.06010	1.0
163.03984	0.3
189.05544	23.4
190.05896	1.1
201.02533	0.3
205.69167	0.2
283.13455	56.2
283.26471	9.9
284.13788	4.6
284.26929	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1711
Annotation	4,4-Bis(4-hydroxyphenyl)heptane
Peak:m/z	Relative Intensity
59.01264	3.0
67.81856	0.3
72.09885	0.3
74.53406	0.4
79.53562	0.3
88.85129	0.3
99.30294	0.3
107.04932	100.0
108.05264	2.6
112.56072	0.3
120.90210	0.3
132.10907	0.3
136.00536	0.4
147.08058	0.4
163.11234	96.0
164.11615	4.3
167.14120	0.3
174.44200	0.3
201.02507	0.6
241.86253	0.4
283.17099	92.9
283.26443	30.6
284.17444	7.4
284.26840	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	277.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	3.0
71.01270	0.4
71.13564	0.7
77.78975	0.3
127.07566	0.4
134.03627	0.3
135.04459	1.3
161.02464	0.4
179.03465	0.7
184.36613	0.3
192.95215	0.3
193.80054	0.3
205.15973	0.5
233.22925	0.4
250.68236	0.3
259.20724	0.6
275.20206	0.6
277.21774	100.0
278.22107	6.5
283.10641	0.3
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
59.01262	0.6
59.56128	0.3
64.50674	0.3
70.15486	1.3
71.01231	0.4
78.58505	0.3
95.53790	0.3
98.14792	0.3
196.66628	0.4
232.54199	0.3
233.22772	0.5
259.20642	0.5
277.21783	100.0
278.22125	9.5
286.57507	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1033
Annotation	Unknow
Peak:m/z	Relative Intensity
66.93783	0.1
70.02708	0.5
70.03120	0.3
85.28349	0.1
98.20512	0.2
110.49660	0.1
117.03379	21.6
118.03696	0.8
124.55001	0.1
131.04910	0.2
132.05760	0.2
133.06523	8.9
134.06876	0.4
135.04509	0.2
145.02890	100.0
146.02048	0.2
146.03227	4.4
146.37584	0.1
152.13615	0.1
246.68443	0.1
279.10358	0.4
279.15070	0.7
279.23349	0.3
281.63297	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	279.2333
Annotation	Linoleic acid
Peak:m/z	Relative Intensity
59.01045	0.2
59.01269	1.7
68.46098	0.2
71.01256	0.3
71.57563	0.4
81.46288	0.2
101.02304	0.2
117.03387	2.5
117.16579	0.2
119.04942	0.2
123.08110	0.3
131.64221	0.2
133.06522	1.1
139.07509	0.4
145.02887	10.5
146.03220	0.5
171.28932	0.2
209.79440	0.2
219.03030	0.3
219.05168	0.2
235.17110	0.3
261.22311	0.5
279.23340	100.0
280.23679	9.3
282.29120	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0336
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77859	0.6
59.01259	1.0
63.64505	0.5
64.24324	0.4
70.14678	2.4
76.41664	0.4
78.95798	27.9
96.96865	100.0
128.03444	0.7
142.85817	0.5
148.03943	0.7
223.44183	0.5
243.22351	0.5
277.21765	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	277.1088
Annotation	Avicennone G
Peak:m/z	Relative Intensity
55.01772	1.0
57.03319	0.3
59.01260	1.6
61.98721	0.9
69.94194	1.5
71.01263	0.6
73.02812	0.4
77.65945	0.3
79.95628	0.3
83.28329	0.2
85.02852	0.3
87.04423	0.6
93.03340	0.7
95.51393	0.3
96.96881	0.3
97.02809	0.3
114.05325	0.2
115.03907	0.3
117.03374	7.7
119.04944	100.0
120.05274	3.7
121.02883	1.4
133.02853	0.4
145.02885	15.7
146.03128	0.4
152.91704	1.7
163.03954	66.9
164.04300	2.7
165.94107	0.3
182.93935	0.3
194.92747	3.4
194.95554	0.6
212.45003	0.3
212.93947	0.4
276.93369	0.4
277.10883	28.9
277.21777	5.5
278.11279	2.7
278.22086	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1452
Annotation	(S)-1'-Methylhexyl Caffeate
Peak:m/z	Relative Intensity
50.84787	0.3
57.13611	0.4
63.23317	0.3
66.49915	0.3
68.90282	0.3
69.70288	2.3
83.20920	0.3
90.00538	0.4
93.03368	0.4
107.04916	0.4
121.02917	0.8
133.02882	10.1
134.03662	10.8
135.04451	59.5
136.04756	2.1
137.02383	7.2
139.03929	2.2
149.02455	0.4
150.03159	0.9
161.02385	17.8
162.02696	0.5
165.52094	0.4
178.02646	3.0
179.03467	32.7
180.03812	1.3
251.03711	0.4
277.14508	100.0
278.14838	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	277.2177
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
57.40923	0.2
59.01267	1.6
61.49291	0.2
65.06594	0.2
70.84406	0.2
71.01279	0.3
71.16519	0.3
71.16833	0.2
72.49219	0.2
95.76588	0.2
123.61494	0.2
127.07521	0.2
134.03596	0.2
134.42143	0.2
135.04419	0.6
161.02328	0.3
233.22748	0.5
259.20737	0.5
274.98685	0.2
275.20242	0.4
277.21774	100.0
278.22137	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	275.0891
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01269	5.7
59.78922	0.7
61.98717	100.0
64.41202	0.6
71.01274	0.6
71.57505	1.1
104.99343	5.9
116.92765	1.6
120.24327	0.7
125.02354	0.6
145.02910	0.8
149.22581	0.6
161.02467	0.8
191.05632	0.9
192.95930	2.1
242.46982	0.6
258.50418	0.7
275.09409	0.7
275.12781	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.1295
Annotation	Ethambutol Hydrochloride
Peak:m/z	Relative Intensity
59.01271	1.1
61.65628	0.2
69.88638	0.2
70.08674	0.8
91.05435	0.4
93.03413	0.2
98.83524	0.2
100.18709	0.2
106.04192	0.2
107.04939	1.0
111.00797	0.2
111.15051	0.2
117.03379	0.4
121.02856	1.0
128.85783	0.2
133.02884	9.9
134.03680	7.7
135.04448	100.0
136.04790	3.0
137.02377	4.1
139.03922	1.5
150.03197	0.5
161.02386	18.7
162.02736	0.5
162.06807	0.6
172.76056	0.2
178.02698	0.9
179.03461	56.2
180.03784	2.0
192.95760	0.3
231.46632	0.2
275.12943	97.2
276.13290	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.1659
Annotation	Methoxyconidiol
Peak:m/z	Relative Intensity
59.01258	0.8
67.43670	0.3
93.03377	0.4
98.20509	0.7
98.66681	0.3
101.36907	0.3
107.60699	0.3
113.09693	0.3
117.03371	19.6
117.45892	0.3
118.04197	0.9
119.04942	47.6
120.05286	1.4
121.02867	10.6
123.04433	3.6
133.02867	2.4
134.03650	0.7
145.02887	35.2
146.03236	1.0
147.04604	0.4
162.03189	3.2
163.03957	20.3
164.04266	1.0
167.42673	0.3
175.00494	0.3
231.21225	0.4
275.16586	100.0
276.16907	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	273.1502
Annotation	Nimbidiol
Peak:m/z	Relative Intensity
57.46114	0.3
61.33226	0.3
66.64750	0.3
71.05963	0.4
71.06325	0.8
93.03373	0.4
101.33817	0.3
117.03373	24.5
118.04182	1.1
119.04941	54.0
120.05258	2.1
121.02869	12.0
122.03191	0.5
123.04438	3.9
133.02881	2.0
134.03654	1.3
145.02887	45.5
146.03204	1.9
162.03168	3.5
163.03952	24.1
164.04285	0.8
191.05698	0.4
238.92917	0.3
273.15012	100.0
274.15326	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	273.1502
Annotation	Podocarpic acid
Peak:m/z	Relative Intensity
53.00918	0.3
59.01245	0.6
69.82727	0.9
69.83140	0.9
71.01297	0.3
77.76287	0.4
83.56131	0.3
86.65586	0.4
98.19810	0.7
106.04149	22.2
107.04946	15.9
108.02058	0.5
119.04954	3.2
121.02859	0.7
138.02161	0.6
138.03157	6.8
139.03439	0.3
143.04987	0.4
145.06497	1.2
146.07307	0.5
147.08128	1.7
150.03183	3.1
159.08119	2.0
161.09714	0.6
182.02180	4.6
189.05687	0.4
191.05573	0.6
199.77977	0.4
210.58687	0.4
229.15985	35.5
230.16315	2.9
273.15015	100.0
274.15399	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	273.1506
Annotation	Podocarpic acid
Peak:m/z	Relative Intensity
63.65056	0.5
72.30051	0.5
89.51647	0.5
93.03359	8.0
98.20184	3.2
99.43645	0.5
106.04125	0.6
117.03384	1.0
119.04956	1.6
125.34071	0.5
134.03683	1.1
145.02838	1.1
145.06552	0.6
151.29262	0.5
159.08093	15.0
160.08630	1.0
163.03920	0.9
186.69170	0.6
203.07130	4.9
204.07901	5.7
229.15994	43.4
230.16345	2.8
256.16235	0.6
273.15021	100.0
274.15356	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	271.2286
Annotation	16-hydroxy hexadecanoic acid
Peak:m/z	Relative Intensity
58.52831	0.4
59.01260	0.9
61.09956	0.4
61.34131	0.4
63.02285	0.6
65.00206	1.9
83.01273	1.1
87.33691	0.4
89.76608	0.3
93.03360	1.7
107.01286	2.4
109.02892	0.7
119.04950	6.0
125.02334	1.0
128.02715	0.5
136.01582	0.8
151.00317	5.7
165.01826	0.5
169.01421	0.8
177.01869	0.6
213.05351	0.4
225.22260	4.2
241.05159	0.8
253.21706	1.7
269.21277	1.2
271.06198	8.6
271.22842	100.0
272.06464	0.6
272.23193	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	273.1139
Annotation	CHEBI:70157
Peak:m/z	Relative Intensity
51.88714	0.3
70.82014	1.0
72.08437	0.3
79.41055	0.3
81.60402	0.3
90.48646	0.3
92.27639	0.3
101.06691	0.3
107.04929	0.8
117.03397	0.4
121.02850	0.4
128.14592	0.3
133.01967	0.6
133.02878	6.5
134.03685	4.5
135.04449	100.0
136.04779	3.3
136.46056	0.3
137.02359	2.6
139.03946	1.0
150.58391	0.3
161.02397	11.2
162.02611	0.3
178.02666	0.7
179.03462	57.7
180.03783	1.8
236.91956	0.3
259.47354	0.3
273.11383	94.3
273.80609	0.3
274.11725	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	269.1038
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80768	1.1
55.01775	6.6
57.03326	3.5
58.00473	3.4
59.01265	70.7
61.98711	1.9
63.54972	1.2
71.01271	60.4
71.58314	2.1
72.01595	1.7
72.99189	7.6
73.02837	93.6
75.00768	3.5
83.01273	13.6
83.77727	1.3
85.02848	27.0
86.62172	1.0
87.00773	11.2
89.02324	3.0
95.01303	1.3
97.02838	2.9
99.00767	7.7
101.02350	63.4
102.51545	1.2
104.08193	1.1
112.01590	1.3
113.02348	7.1
119.05003	1.0
123.47731	1.3
125.02390	1.9
161.04504	100.0
161.98318	1.1
162.04839	2.5
166.06270	1.5
181.08611	1.2
257.61993	1.2
262.42603	1.3
269.04678	11.5
269.10358	99.9
269.21265	12.7
269.24896	3.2
270.10764	5.6
270.21646	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	269.1037
Annotation	Benzyl beta-D-glucopyranoside
Peak:m/z	Relative Intensity
52.00359	0.6
55.01768	5.5
55.44126	0.7
57.03347	4.1
58.00492	4.8
59.01265	70.3
61.98728	0.6
68.99690	0.6
69.03349	1.6
69.19820	0.6
71.01272	49.9
71.57213	1.0
72.99193	5.4
73.02837	88.2
74.03168	1.2
83.01283	11.7
85.02844	25.0
87.00771	9.1
89.02349	2.7
95.01286	2.2
97.02869	3.0
97.12973	0.7
99.00779	6.0
99.74348	0.6
101.02347	65.9
102.02676	0.8
106.51721	0.8
107.04930	1.4
113.02345	7.5
117.01906	0.9
125.02429	1.0
135.05798	0.7
161.04503	100.0
162.04866	3.6
175.62770	0.6
197.06155	0.7
203.07039	0.7
220.98587	0.6
269.04501	2.4
269.10364	90.8
269.21307	5.5
269.24796	1.3
270.10678	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	270.9867
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69460	0.4
71.01268	2.6
71.55653	0.6
75.00770	0.4
78.95794	41.6
86.77758	0.4
96.96864	100.0
99.00786	1.0
113.74763	0.4
119.04962	1.1
124.98740	1.4
142.99806	19.4
144.00130	0.6
149.23701	0.4
151.00276	0.9
173.00862	7.8
271.06363	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0231
Annotation	2-epi-5-epi-Valiolone 7-phosphate
Peak:m/z	Relative Intensity
59.01260	0.7
70.76572	1.2
70.81244	0.3
71.01273	2.6
78.95795	39.6
79.14989	0.4
80.70251	0.3
96.96864	100.0
99.00792	0.8
112.98653	0.3
119.04935	1.3
121.16060	0.3
124.35058	0.4
124.98756	1.1
130.82657	0.3
142.99796	18.0
144.00162	0.7
151.00278	1.0
173.00879	7.4
217.72667	0.4
226.31125	0.4
271.06152	2.2
271.22784	1.3
294.09637	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1193
Annotation	(-)-Syringolide 1
Peak:m/z	Relative Intensity
57.03340	1.0
58.42020	0.5
59.01255	2.6
65.03849	1.7
71.01273	0.4
81.03356	0.7
83.01262	0.7
83.04913	14.6
85.02840	2.2
87.00771	100.0
88.01093	1.5
93.03352	1.0
97.06502	1.0
98.20661	0.8
99.04443	1.2
101.63305	0.5
107.04895	0.7
109.02856	1.3
109.06502	31.9
110.06803	0.8
112.72008	0.4
114.46045	0.4
119.04931	1.2
123.08076	5.0
127.07602	3.3
128.27126	0.5
141.09138	0.8
147.08072	1.4
149.06012	0.6
151.00322	1.0
151.07625	0.7
155.14047	0.5
165.09158	7.9
183.10225	12.0
197.62781	0.5
199.09740	0.5
200.72853	0.5
209.08130	1.5
209.11815	1.4
210.56180	0.4
227.12843	5.9
271.05981	2.5
271.11920	71.7
271.22903	1.0
271.72476	0.5
272.12350	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	271.2284
Annotation	2-hydroxyhexadecanoic acid
Peak:m/z	Relative Intensity
65.00204	1.6
65.16906	0.8
69.47755	0.6
71.13042	0.7
71.30390	0.8
71.30741	1.5
80.02609	0.8
93.03346	1.2
107.01279	1.9
109.02814	0.8
109.53590	0.8
119.04930	5.8
125.02357	1.8
151.00322	6.8
151.68913	0.7
177.01767	0.8
221.19199	0.7
223.20685	4.2
225.22237	60.3
226.22556	3.6
253.21727	1.1
271.06155	10.2
271.22839	100.0
272.06415	1.6
272.23187	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	269.1036
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01258	1.3
60.99176	0.6
61.98713	0.6
69.24567	3.1
69.24991	2.0
71.01269	0.9
72.99175	0.7
73.02811	0.7
75.00763	1.2
86.57906	0.5
87.00773	100.0
88.01105	1.6
89.02349	0.8
97.04076	0.5
98.19711	0.9
101.02337	0.5
121.02866	10.0
121.06639	0.5
123.04454	0.7
128.90833	0.4
135.04465	0.6
136.05215	1.1
137.02394	0.5
161.04568	0.8
166.06311	65.8
167.06624	2.8
181.08665	46.3
182.09007	2.8
205.08694	1.1
207.10168	0.6
225.22200	0.6
239.09326	0.7
251.09319	0.5
269.04633	1.6
269.10342	20.4
269.21274	5.8
269.24850	1.6
270.10715	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	267.1606
Annotation	Altiloxin A
Peak:m/z	Relative Intensity
55.10417	1.1
57.03337	2.2
58.00478	8.4
59.01265	15.8
61.98724	1.5
71.01270	10.4
71.33351	1.0
71.56558	1.2
71.56973	1.5
72.99168	1.4
73.02835	66.4
80.90845	1.1
85.02844	3.3
87.00758	6.3
89.02316	2.2
96.95915	2.0
98.78391	1.1
101.02345	3.6
106.96622	1.1
121.02887	1.9
123.08115	1.4
139.07544	1.7
161.04480	2.1
179.05545	1.4
193.00890	1.3
193.15929	6.4
205.15912	3.6
209.04567	2.3
223.17032	46.9
224.17389	2.5
227.24817	1.3
249.14928	2.1
249.44769	1.1
267.12698	3.2
267.16061	100.0
268.11987	1.5
268.16354	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.0462
Annotation	Apigenin
Peak:m/z	Relative Intensity
59.01267	0.5
63.02279	1.1
65.00208	2.9
66.00541	0.2
68.97980	0.2
69.99218	1.2
71.01266	0.3
78.94437	0.2
83.01276	1.6
87.04425	1.3
101.02345	0.2
105.03367	1.0
107.01295	6.0
108.80122	0.2
108.99217	0.2
117.03373	21.4
118.03719	0.6
121.02878	1.6
123.04408	0.2
149.02380	9.2
149.03572	0.5
150.02734	0.3
151.00307	10.8
152.00693	0.3
159.04471	1.9
160.04893	0.3
161.04594	0.4
169.01358	0.4
169.06551	0.7
180.05759	0.5
181.06569	1.5
183.04425	1.6
185.02371	0.3
196.05417	0.2
197.06117	0.6
201.05560	1.9
209.02617	0.3
224.04817	0.3
225.05573	3.7
225.14981	0.8
225.22192	0.3
226.05890	0.2
227.03493	2.1
241.05147	0.3
269.04605	100.0
269.17719	0.9
269.21265	3.3
269.24765	0.7
270.04959	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	265.2179
Annotation	Hydroprene
Peak:m/z	Relative Intensity
52.10578	0.5
59.01266	5.9
69.19963	0.5
70.82354	1.1
81.49130	0.4
96.95918	8.0
97.48715	0.4
118.30760	0.6
139.20436	0.6
163.04004	0.5
191.03442	0.5
225.69853	0.5
247.20798	0.7
258.14923	0.6
265.15073	6.3
265.21786	100.0
266.22122	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	267.088
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78083	0.4
54.13313	0.4
59.01267	2.3
60.02338	0.4
66.13931	0.4
68.46984	0.4
70.04140	0.4
71.56935	0.4
73.02839	0.6
78.86274	0.5
83.06602	0.5
83.55939	0.4
87.00772	73.6
88.01104	1.0
105.01848	1.6
121.02866	0.5
134.03658	1.0
135.04451	1.9
145.02916	0.8
146.03673	62.9
147.04005	2.5
161.06027	19.9
162.06380	0.8
163.03973	1.2
164.04736	42.6
165.05107	1.8
175.07578	0.6
179.07100	100.0
180.07463	4.3
189.60788	0.4
205.08652	0.5
267.08789	8.7
268.08994	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1034
Annotation	Clusiparalicoline C
Peak:m/z	Relative Intensity
52.40384	0.3
59.01261	2.7
69.49604	1.4
69.50031	1.3
70.64880	0.3
71.01271	1.0
72.19119	0.3
73.02820	0.7
87.00781	0.9
93.03351	0.6
98.20448	0.7
101.02348	0.9
117.03378	22.8
118.03685	0.8
119.04945	100.0
120.05267	3.7
121.02872	5.3
123.04423	1.5
133.02902	1.2
141.10155	0.4
145.02887	46.6
146.03218	1.5
161.04552	0.5
162.03188	1.1
163.03955	49.3
164.04327	2.3
179.05640	0.4
267.10315	88.5
268.10663	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	267.1244
Annotation	Pectinolide B
Peak:m/z	Relative Intensity
50.25016	0.5
57.03338	2.5
59.01266	100.0
60.01604	1.0
61.98706	0.9
71.01283	1.7
71.04911	2.3
71.59849	1.1
73.02856	1.3
79.30081	0.6
80.68224	0.8
82.65279	0.6
83.04903	0.7
87.00771	3.6
89.02345	0.6
99.04411	0.7
113.02391	0.7
116.40536	0.7
161.13345	2.8
163.11256	1.7
169.95151	0.7
205.12508	0.6
207.10330	2.2
212.35959	0.6
223.13399	49.0
224.13692	3.3
267.12527	5.1
267.16119	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	263.1294
Annotation	Mansonone Q
Peak:m/z	Relative Intensity
59.01262	6.4
64.79607	0.4
71.01258	1.2
71.59040	0.8
79.95644	0.4
85.02843	0.6
89.02378	0.4
93.03358	0.7
106.04136	0.8
112.78397	0.4
121.02857	1.0
131.03418	0.4
133.02879	15.2
134.03662	8.9
135.04449	22.4
137.02357	8.0
139.03906	3.0
148.05257	0.5
149.02307	0.5
150.03087	0.6
161.02390	26.8
162.02797	1.0
178.02728	2.2
179.03459	10.7
180.03769	0.6
263.12927	100.0
264.13290	6.0
282.52103	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2021
Annotation	KDC 165
Peak:m/z	Relative Intensity
56.67350	0.4
59.01265	5.9
71.01269	0.8
113.02396	0.5
130.96890	0.4
132.37910	0.4
135.04327	0.5
138.56766	0.4
143.83453	0.3
147.65150	0.4
201.77788	0.4
219.21202	0.7
227.10948	0.4
229.41365	0.4
245.19135	0.6
263.20200	100.0
264.20587	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	264.0883
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51088	0.3
59.01258	2.0
69.00436	0.4
70.71011	1.2
71.01234	0.3
74.26604	0.3
86.33191	0.3
96.00810	15.0
97.01597	7.4
130.04202	0.3
134.06062	0.4
145.06535	6.5
146.06044	0.4
158.06035	2.0
170.06096	0.4
176.95143	0.3
188.07143	100.0
189.07503	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	259.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09173	0.4
52.01717	0.4
58.85285	0.4
59.01268	0.7
71.58955	0.8
81.36384	0.4
87.61791	0.4
93.03339	1.2
95.01263	0.8
95.04931	0.7
96.96795	0.4
108.02120	0.7
117.03377	60.0
118.03554	0.4
118.04143	2.8
119.04980	4.1
121.02870	64.9
122.03216	2.1
123.04440	22.5
124.04775	0.8
132.02097	0.7
133.02882	14.6
133.68710	0.4
134.03693	6.4
145.02881	7.1
149.02377	1.6
158.07295	3.0
162.03174	28.7
163.03960	4.8
166.40250	0.4
175.00684	0.4
183.08148	0.4
200.48817	0.4
215.14362	2.9
259.13446	100.0
260.13760	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	259.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31405	0.2
51.77403	0.2
51.77644	0.2
53.29192	0.2
56.14419	0.2
56.40854	0.2
67.37760	0.2
68.61528	0.2
70.70351	0.4
70.70707	0.4
93.03365	0.5
101.81217	0.2
117.03382	17.2
118.03606	0.3
118.04244	0.3
119.04948	100.0
120.05280	3.9
121.02884	5.3
123.04463	1.5
133.02888	1.5
134.03638	1.0
145.02892	33.5
146.03198	1.3
146.07326	0.3
147.88707	0.2
162.03175	1.5
163.03961	51.3
164.04282	2.3
201.75117	0.2
259.13449	84.4
260.13809	7.4
260.15930	0.1
260.16635	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1501
Annotation	Paecilocin D
Peak:m/z	Relative Intensity
50.27811	0.4
54.48451	0.3
56.05797	0.4
59.65902	0.4
63.62335	0.4
68.02564	0.3
77.71185	0.4
98.19744	0.9
115.81414	0.4
117.03375	11.9
118.04160	1.0
119.04949	32.2
120.05280	1.1
121.02881	7.2
123.04456	1.9
131.00989	0.4
133.02864	1.3
134.03674	0.5
137.93639	0.4
145.02895	24.1
146.03256	0.7
162.03195	2.5
163.03957	16.8
164.04356	0.7
216.93642	0.4
229.15723	0.5
261.15018	100.0
262.15356	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	263.0777
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	100.0
60.01603	1.0
69.68788	1.6
71.01287	0.6
72.99146	0.3
73.02843	0.8
89.97892	0.2
101.02370	0.7
141.62219	0.2
147.76976	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0778
Annotation	Unknow
Peak:m/z	Relative Intensity
55.26870	0.5
59.01265	100.0
69.68188	0.5
73.12740	0.5
83.01318	0.7
121.52124	0.5
135.39427	0.5
153.23451	0.5
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
57.05243	0.5
58.04567	0.5
59.01263	100.0
60.01614	1.0
63.22137	0.5
71.01290	1.1
84.00822	1.4
88.98481	0.6
98.19759	1.3
101.02311	0.9
110.27370	0.6
179.18367	0.5
199.07887	0.7
263.14166	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1294
Annotation	Epoxycantabronic acid
Peak:m/z	Relative Intensity
55.01778	1.3
57.03334	4.3
58.22505	1.2
59.01266	12.0
70.62248	1.3
70.62596	4.0
71.01281	6.4
79.05442	1.9
82.81751	1.0
83.04919	4.9
85.02834	1.5
95.04935	1.9
97.02856	10.4
97.06475	1.4
105.07016	2.7
107.04940	4.3
108.05721	5.8
109.02862	6.8
109.06485	2.9
111.04430	13.6
111.08049	2.6
113.05988	11.7
119.08569	4.2
121.06522	4.0
122.03661	14.6
123.04440	2.4
123.08084	9.3
124.01698	1.4
124.02644	1.4
124.05296	1.6
125.06008	24.1
135.08095	3.4
136.04440	1.3
136.05254	16.6
137.06038	8.0
137.09673	2.2
138.06812	22.8
139.03894	1.5
139.07585	44.5
143.08307	1.4
147.04460	1.4
147.08125	1.3
148.05219	9.6
149.06013	5.2
150.21931	1.2
151.07594	82.9
152.04729	8.2
152.08383	47.3
153.09183	13.7
159.11777	3.5
161.06042	1.2
161.09715	8.2
163.07582	17.4
167.07088	4.6
170.05789	2.3
182.72369	1.4
185.09662	4.0
186.10426	1.4
188.08244	2.5
189.09186	6.9
201.12831	36.9
203.10744	25.2
204.11543	70.2
205.11841	4.5
219.13910	100.0
220.14255	4.5
243.19135	1.2
247.07072	1.1
247.31413	1.1
263.12949	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	257.1188
Annotation	Mansonone G methyl ether
Peak:m/z	Relative Intensity
57.47914	0.3
70.46774	1.0
117.03374	12.7
118.04234	0.5
119.04945	100.0
120.05276	4.7
121.02877	3.7
123.04432	1.3
133.02898	0.8
134.03702	0.5
141.00928	0.3
145.02890	26.4
146.03242	1.3
162.03185	1.2
163.03957	52.3
164.04277	3.0
217.57367	0.3
244.00879	0.3
257.11865	88.5
258.12192	8.0
263.64151	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1293
Annotation	12-Noralliacolide
Peak:m/z	Relative Intensity
50.56278	0.3
59.01263	3.1
60.99201	1.8
69.69839	0.6
69.70242	2.2
71.01269	23.1
71.04918	1.9
71.71296	0.3
73.02844	0.5
84.02060	0.3
96.95917	0.7
99.04417	3.9
110.03124	0.3
113.82841	0.4
120.74827	0.3
123.04451	3.6
123.08057	1.3
123.47390	0.3
149.09688	0.9
151.10056	0.6
151.11227	11.1
152.11545	0.5
153.12788	40.3
154.13132	2.4
171.13872	8.2
172.14102	0.4
179.14395	2.7
182.57986	0.3
189.12851	1.1
191.05544	0.4
195.13852	1.2
197.09964	0.7
197.11803	13.0
198.12297	0.6
207.13881	18.6
208.14192	1.6
225.14964	2.3
226.15260	0.3
251.12914	100.0
252.13237	9.0
274.63342	0.3
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
53.45729	1.2
56.80918	1.0
59.01266	100.0
71.01270	1.0
71.34596	2.3
73.02836	1.4
85.02849	1.0
89.28719	1.1
161.04514	6.1
187.42029	1.1
193.07161	39.6
194.07533	1.9
215.33044	0.9
218.71400	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1136
Annotation	(S)-1'-Methylbutyl Caffeate
Peak:m/z	Relative Intensity
57.26157	0.2
59.01276	1.3
61.98700	0.2
70.87235	0.5
70.87598	0.4
93.03389	0.5
93.36609	0.2
101.91830	0.2
106.04152	0.4
107.04945	0.8
109.02876	0.3
111.00803	0.3
115.31918	0.2
117.03362	0.4
121.02862	1.2
121.73216	0.2
125.23962	0.2
133.01845	0.3
133.02885	9.9
134.03685	11.1
135.04457	68.9
136.04820	3.6
137.02380	7.4
137.03447	0.3
138.02678	0.4
139.03944	2.9
147.54396	0.2
149.02379	0.3
150.03177	0.7
157.16640	0.2
161.02400	17.0
162.02711	1.2
177.96724	0.3
178.02673	2.7
179.03471	35.7
180.03816	2.3
194.65724	0.2
248.58356	0.3
249.11357	100.0
250.11734	9.6
250.14478	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	250.0725
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01392	2.2
58.02861	21.5
59.01255	17.4
70.02859	10.9
71.57140	3.5
72.00784	7.0
73.59937	2.2
91.05409	3.3
94.90876	2.8
95.01389	2.3
99.09332	2.6
100.86943	2.3
147.04459	33.0
164.07123	100.0
165.07434	5.7
191.05638	2.9
206.08215	80.0
207.08517	4.6
250.14539	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	250.0725
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82832	3.6
52.96323	3.8
58.02864	100.0
59.01269	17.0
67.53684	3.5
71.21481	2.8
78.24505	4.1
94.30736	2.7
129.01775	3.6
136.84480	3.3
147.04456	10.7
164.07120	76.9
206.08228	93.8
207.08530	8.2
229.16010	4.4
250.14508	13.8
250.17000	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31805	0.3
53.50304	0.3
59.01263	2.0
70.63417	1.2
71.01266	0.7
92.84889	0.3
93.03364	0.5
99.08057	0.4
117.03379	22.0
118.04193	0.6
119.04946	60.8
120.05273	3.0
121.02877	13.0
122.03231	0.6
123.04444	3.8
133.02870	2.7
134.03676	0.7
145.02888	40.4
146.03210	2.0
152.01891	0.4
157.05005	0.4
162.03188	4.4
163.03958	26.4
164.04271	1.7
165.01904	0.4
174.99210	0.4
184.00180	2.5
186.95572	1.3
190.10002	0.7
247.13429	100.0
248.08052	3.2
248.13756	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	247.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20842	0.2
59.01252	0.5
59.97727	0.2
71.58785	0.2
71.59201	0.3
93.03342	0.4
99.08076	0.4
117.03380	26.3
118.03580	0.4
118.04154	1.2
119.04947	19.9
120.05280	0.8
121.02876	12.1
122.03192	0.4
123.04444	4.6
129.48213	0.2
133.02878	2.8
134.03708	1.2
145.02893	52.8
146.03227	2.9
147.04427	0.6
149.02414	0.3
162.03178	3.2
163.03964	9.1
164.04279	0.6
186.95570	0.5
193.24940	0.2
247.13432	100.0
248.13765	10.8
255.72441	0.2
268.90695	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1136
Annotation	(S)-1'-Methylbutyl Caffeate
Peak:m/z	Relative Intensity
50.34357	0.2
59.01253	0.8
61.98732	0.2
69.75896	0.2
71.06306	0.5
75.00735	0.2
77.40038	0.2
78.41548	0.2
89.70883	0.2
93.03372	0.6
106.04167	0.6
111.00793	0.3
121.02875	1.3
133.02884	15.0
134.03688	9.7
135.04457	23.5
136.04796	1.0
137.02376	7.7
137.03450	0.3
138.02702	0.4
139.03931	2.5
149.02380	0.3
150.03249	1.0
161.02391	27.5
162.02695	1.7
165.01907	0.4
178.02638	1.9
179.03464	10.8
180.03789	0.7
249.11359	100.0
250.11719	9.9
250.14351	0.7
254.11871	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1187
Annotation	Mansonone S
Peak:m/z	Relative Intensity
59.01271	1.2
59.74274	0.5
69.03355	1.3
79.07893	0.5
91.20742	0.6
119.81602	0.5
129.03398	0.9
135.04449	0.6
143.05048	1.2
145.06491	3.4
145.43625	0.5
146.03664	3.4
147.04459	27.3
148.04782	1.0
155.04974	2.1
159.04462	35.8
160.04869	3.6
161.06032	3.9
162.06799	0.7
172.05252	5.8
173.06038	70.4
174.00383	0.6
174.03195	1.7
174.06381	5.8
175.03958	8.3
175.07559	0.9
187.04034	1.7
187.07611	15.3
188.08159	2.5
189.05554	2.5
189.09172	10.0
190.09546	0.7
201.05573	11.2
201.07349	1.2
201.09151	1.0
202.05902	0.9
203.07185	3.3
204.07909	4.2
215.07133	4.5
216.07924	88.9
217.08266	7.4
245.11864	100.0
246.12198	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	247.0463
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41069	2.1
52.41585	1.8
52.91936	1.9
54.94489	2.0
59.01259	5.8
60.99178	3.7
67.01770	8.6
71.01284	4.2
71.59480	2.5
72.98782	4.8
72.99194	100.0
77.26671	1.7
79.60769	1.7
87.00784	15.6
93.03351	58.6
94.03690	3.8
111.04413	10.6
114.98519	1.5
155.03436	2.4
173.04517	89.6
174.04828	5.7
247.04565	22.8
247.06943	2.5
248.05112	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	247.0979
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	0.6
61.87725	0.2
71.44674	0.3
71.45013	0.3
72.80699	0.2
76.63751	0.3
90.97041	0.3
93.03381	0.4
94.12050	0.3
103.01167	0.2
106.04134	0.4
107.04936	0.6
111.00759	0.2
117.03410	0.2
121.02856	1.1
126.13660	0.2
126.32595	0.2
132.98125	0.4
133.02884	13.8
134.03676	8.3
135.04453	89.2
136.04794	4.5
137.02393	4.9
139.03973	1.4
148.05219	1.1
150.03229	0.4
161.02396	22.9
162.02751	1.1
174.99110	0.3
178.02658	1.5
179.03465	53.2
180.03818	2.6
186.95604	0.7
247.09789	100.0
248.10130	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	247.0979
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46903	0.6
57.11634	0.7
69.94043	3.5
77.66429	0.6
93.03356	3.1
97.93198	0.7
106.04135	2.7
109.02871	1.0
111.00770	1.4
121.02880	8.8
133.02873	28.5
134.03670	61.6
135.04486	17.4
137.02377	55.0
138.02708	2.1
139.03946	19.8
140.47879	0.7
149.02385	2.0
150.03166	5.5
161.02425	1.4
165.01875	1.3
174.23889	0.7
178.02670	32.5
179.03450	27.6
180.03830	1.1
203.10782	1.6
247.09775	100.0
248.10091	11.1
267.21683	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1185
Annotation	Lagopodin A
Peak:m/z	Relative Intensity
54.14707	0.3
55.27771	0.3
55.33253	0.3
59.01245	0.8
61.32850	0.3
64.92581	0.3
71.07810	0.9
72.32632	0.3
93.03333	0.6
97.35499	0.3
101.62305	0.3
113.13609	0.3
117.03376	22.0
118.03738	1.1
119.04945	77.0
120.05284	4.0
121.02877	7.1
121.03689	0.6
122.03177	0.3
123.04433	2.0
132.05742	1.3
133.02896	1.8
134.03683	0.8
145.02888	44.6
146.03218	2.6
162.03203	1.4
163.03954	36.7
164.04305	2.0
191.67133	0.3
245.11852	100.0
246.12209	11.0
246.14764	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0436
Annotation	Glycerophosphoglycerol
Peak:m/z	Relative Intensity
52.08375	0.3
59.01265	1.1
59.38828	0.4
65.99732	0.5
69.03335	0.9
69.72928	2.3
71.01262	1.4
72.05705	0.3
72.59329	0.4
72.70967	0.4
72.99184	0.7
73.02827	2.1
73.37074	0.3
75.00773	0.4
76.41969	0.3
78.40358	0.3
78.95792	100.0
85.02845	1.3
87.00773	5.1
89.41207	0.4
93.03366	0.7
96.96863	11.0
97.02857	1.1
98.19849	0.8
99.00789	0.7
101.02341	0.5
108.23975	0.4
109.02859	1.4
110.02394	0.9
110.03256	0.6
111.00775	0.6
111.04434	0.8
112.00336	0.4
113.02339	0.9
115.00270	2.2
121.02885	1.8
125.02371	5.2
137.02412	0.5
138.02742	0.8
139.03932	4.4
141.01884	0.9
145.01321	0.5
150.97981	1.0
152.99521	73.1
153.99907	1.1
165.03827	1.3
166.05009	1.2
169.01373	1.4
171.00589	31.3
172.00974	0.5
187.02422	1.0
192.02904	0.4
201.04012	0.7
210.04094	3.2
219.05144	3.7
227.03813	0.8
228.05119	2.4
245.04347	80.4
246.06502	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	245.0934
Annotation	N-Acetyl-D-tryptophan
Peak:m/z	Relative Intensity
50.54090	0.5
58.02863	24.3
59.01252	1.3
59.03193	0.6
61.98714	0.7
70.02866	17.6
71.35514	0.5
71.58231	0.7
72.00793	5.2
72.04433	3.6
74.02360	98.4
75.02691	0.8
84.04456	0.6
85.88734	0.6
96.13219	0.5
98.02377	24.2
116.02607	1.1
116.03452	32.3
116.04969	32.8
117.05323	1.6
130.06560	5.1
142.06541	7.9
143.06973	0.8
156.08101	0.7
159.09218	6.6
160.02512	1.0
183.09261	1.8
186.05542	1.9
201.10303	9.6
203.08244	92.6
204.08591	7.2
245.09338	100.0
246.09662	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	242.052
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01770	3.5
61.98716	100.0
71.59025	3.5
77.00341	2.8
78.95791	10.9
80.16552	2.4
82.02880	15.6
83.01252	3.6
85.06475	3.1
87.00763	13.1
96.00789	3.7
96.96887	3.1
97.01134	4.3
98.02354	4.2
100.03931	4.7
101.78484	2.5
107.04938	20.3
110.02392	3.1
110.06010	6.0
112.03966	17.0
112.06857	4.2
112.07597	51.7
114.97501	2.5
124.03931	4.3
124.07570	5.1
125.05992	4.6
126.09116	3.0
134.06067	4.6
136.07581	15.3
140.07104	22.8
142.05038	3.1
152.07143	3.8
154.08745	3.7
159.98273	2.3
170.08171	8.3
171.00687	2.6
180.06615	4.0
196.06123	19.7
198.07715	30.9
199.08133	3.0
214.07263	13.1
221.46626	2.7
226.57146	2.7
242.06696	97.1
243.06848	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	242.0671
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01768	3.1
57.00153	0.7
57.00435	0.7
57.03321	2.0
59.01258	1.2
59.47830	0.6
61.12779	0.6
61.98715	10.0
69.03347	1.5
71.01260	1.7
71.04908	0.7
71.58994	1.0
72.04411	1.3
73.02840	0.7
73.30157	0.6
74.96654	0.6
78.95807	2.5
82.02880	10.2
83.01277	3.7
83.03207	0.8
84.00777	1.5
84.04435	1.3
84.60917	0.7
85.02805	0.9
85.06489	4.0
87.00771	22.5
88.46261	0.8
93.03361	3.2
94.02898	1.1
95.04933	0.9
96.00792	1.0
96.04482	0.9
97.01150	0.8
97.02852	2.8
97.06503	1.4
98.02374	3.8
98.06020	1.2
99.00756	2.0
99.04436	0.8
100.03944	5.8
107.04935	19.7
108.05267	0.8
110.02402	2.8
110.06040	3.5
111.00779	1.0
111.03145	1.8
111.04421	2.9
112.03954	11.6
112.07593	44.0
112.98726	4.0
113.07899	2.5
113.99113	0.7
115.00294	1.5
122.06062	1.4
124.03970	6.0
124.07620	7.4
125.06026	3.5
126.05516	1.9
126.09152	5.1
128.03458	1.9
133.94272	0.7
134.06071	4.3
135.37219	0.6
136.07607	18.3
136.08594	1.4
137.02367	0.8
137.06041	3.7
137.07922	0.7
138.05530	2.6
140.07115	23.1
141.07477	0.9
142.05003	2.0
142.99799	2.9
145.01376	0.9
152.07115	2.9
153.05502	2.2
154.08662	5.6
155.07056	2.1
156.02931	0.8
163.92729	0.7
168.06682	1.7
170.08174	12.4
171.85167	0.7
173.00888	4.5
180.06596	3.8
196.06140	26.0
197.06511	1.5
198.07707	37.0
199.07980	1.9
200.05560	0.7
205.03496	2.0
210.98213	0.9
214.07207	13.3
215.07454	1.0
228.97542	0.7
236.44733	0.7
242.06728	100.0
243.07109	7.6
247.08562	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	244.0466
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	2.3
58.05584	2.0
58.61037	1.7
59.01250	2.1
65.99732	7.4
68.01299	5.5
69.03345	4.1
70.44307	6.7
71.01270	7.9
72.99202	7.7
73.02827	6.7
78.95795	100.0
79.63541	1.7
81.03336	2.4
82.02864	5.8
82.08637	2.8
83.04905	3.0
85.02847	7.1
87.00772	15.2
93.03365	6.0
95.01308	4.5
96.00804	5.0
96.96860	12.9
97.02859	6.0
98.02377	4.6
99.00813	2.4
101.02367	2.0
104.12434	1.8
109.02861	18.1
110.02393	3.8
111.00800	2.1
112.00329	3.9
113.02401	1.9
115.00298	5.4
120.04478	6.2
123.00810	7.1
123.76347	2.4
124.01548	5.1
125.02336	4.7
126.01915	3.8
127.03915	3.3
136.04008	3.3
137.02376	29.5
138.05467	2.2
141.01878	11.4
145.01317	1.9
146.02328	2.1
146.04530	2.0
152.99524	57.0
153.01820	5.1
154.04985	3.4
155.03450	6.5
156.02927	1.9
161.00813	3.1
161.92213	2.3
164.03470	33.8
171.00591	23.8
171.02884	3.5
180.03026	2.5
181.01416	5.7
182.04523	9.4
199.02483	11.0
202.79616	2.0
208.02531	13.7
217.03560	9.3
222.17024	2.2
226.03564	31.4
227.03825	2.5
244.02112	2.7
244.04642	50.2
244.08372	3.1
245.04355	89.6
245.07854	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	240.1244
Annotation	Parvistemoamide
Peak:m/z	Relative Intensity
53.39578	1.0
59.01265	14.0
60.01599	3.6
61.43844	0.9
66.03371	1.6
70.02882	2.3
70.49913	1.6
70.50311	2.3
71.01268	1.2
72.66238	1.0
80.04961	1.3
83.04916	3.3
84.04448	8.9
94.02872	2.9
96.04430	2.9
97.06544	1.3
106.06507	4.9
107.03692	1.6
108.04484	1.7
110.06013	2.2
111.08013	1.4
113.83137	1.0
121.10151	1.3
122.06036	1.9
124.07607	2.4
148.11261	1.4
151.11211	4.6
160.11288	8.9
167.10719	1.9
171.10201	8.7
174.37679	1.1
177.91847	1.0
178.12332	7.3
179.05591	3.0
180.05952	5.9
181.06134	1.0
182.13054	1.1
194.11853	8.5
203.66902	1.0
204.10298	4.6
209.11803	3.7
222.11287	7.4
240.12444	100.0
241.12720	9.5
241.18155	1.3
241.21733	1.8
242.11566	3.2
254.67288	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	240.1244
Annotation	Parvistemoamide
Peak:m/z	Relative Intensity
58.02854	3.8
59.01268	22.2
60.01604	3.6
61.98715	3.7
65.01320	2.4
67.75404	1.9
69.44381	9.7
69.44816	6.3
71.01273	67.3
81.02106	11.9
82.02880	21.0
94.02890	12.8
95.04890	2.0
96.04445	56.6
97.04734	2.3
98.02322	2.0
107.03683	14.3
108.04461	8.1
110.06025	7.8
112.05973	1.8
113.05976	2.5
122.06008	4.0
125.05984	4.3
125.10699	1.7
127.07521	3.5
139.07492	1.8
160.11247	2.3
161.09654	4.1
168.10252	18.7
169.12234	2.2
176.10742	2.6
176.82558	2.0
178.12341	74.9
179.05556	3.4
179.10829	2.2
179.12688	6.5
180.05901	10.9
186.09186	5.9
196.13394	26.3
197.06001	2.8
197.11836	3.8
204.10287	32.4
205.10628	3.4
210.21268	1.8
211.69540	2.4
222.11343	100.0
223.11792	13.1
231.35881	2.1
240.12436	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	239.06
Annotation	Unknow
Peak:m/z	Relative Intensity
54.84249	0.2
55.82363	0.2
59.01265	15.5
59.96617	0.3
60.01598	0.3
63.36744	0.2
68.78086	0.2
70.98119	0.5
71.01279	0.4
73.02858	0.3
74.61098	0.2
74.98962	9.4
75.98924	0.5
85.02847	0.3
87.00758	2.5
89.31839	0.2
91.02105	9.8
93.00033	5.6
99.00784	0.6
117.01823	0.5
125.02290	0.3
148.99718	0.3
149.00879	4.4
153.95229	0.3
159.03001	0.3
161.04459	2.8
177.01744	0.3
179.05574	11.2
180.05922	0.5
206.99693	2.6
207.99472	0.3
212.04460	0.2
223.02840	100.0
224.02873	12.6
225.00710	0.3
239.05937	0.9
239.16508	0.6
241.04010	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	239.0926
Annotation	CMPF
Peak:m/z	Relative Intensity
53.98280	0.7
56.15405	0.6
57.03329	1.2
59.01263	100.0
60.01581	1.3
61.74571	0.8
61.98707	0.8
71.01267	1.9
71.59512	1.1
73.02829	0.9
73.78633	0.7
75.98943	0.7
81.03335	0.9
85.02852	2.0
85.99998	0.8
87.00777	5.2
89.02392	0.9
91.83099	0.7
95.04920	1.4
97.02832	0.9
97.06480	1.8
99.00826	1.3
101.02362	1.1
102.24785	0.5
109.06515	1.4
117.01840	1.3
125.02325	1.0
135.08112	1.7
141.01874	0.7
141.05525	5.0
151.11256	1.8
161.04480	7.6
177.09125	1.5
179.05571	32.8
180.05902	2.2
195.10243	18.8
196.10620	2.1
239.09261	17.2
239.11937	0.7
239.12917	1.5
240.09583	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	236.1055
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85786	0.3
56.82744	0.2
59.01277	0.6
70.16920	0.7
70.17328	0.4
84.29572	0.2
98.20614	0.3
119.73417	0.2
134.03648	0.4
135.04486	0.3
136.05249	0.3
148.05247	6.1
149.05806	0.4
149.09657	0.8
155.86877	0.2
162.03040	0.2
176.08376	0.6
177.09187	34.0
178.09552	2.9
190.09958	1.6
191.10767	0.7
192.11543	26.4
193.11909	3.1
195.80046	0.2
198.64516	0.2
201.09210	0.3
203.07152	0.5
214.19580	0.2
217.08719	2.3
218.09486	7.7
219.09802	0.8
229.44629	0.2
236.10564	100.0
237.10933	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	237.0618
Annotation	3-Deoxy-D-manno-octulosonate
Peak:m/z	Relative Intensity
50.61346	0.8
55.01764	2.1
57.03348	4.9
59.01258	5.1
66.49658	0.9
70.10118	3.8
71.01272	9.7
72.99203	7.8
73.02825	2.3
75.00751	5.3
83.01271	7.5
84.02057	24.5
85.02350	1.9
85.02843	25.1
87.00773	100.0
88.01108	2.9
89.02341	1.8
99.00746	3.3
99.04414	14.4
101.02327	2.2
111.00809	4.3
113.02363	1.2
115.00245	1.3
125.02349	2.2
129.01862	22.4
136.03903	0.9
143.03429	1.9
147.02902	1.5
149.06044	0.9
161.04491	2.6
177.04019	1.6
190.96820	0.9
201.24156	0.9
205.03596	7.5
237.06247	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	233.1185
Annotation	CHEBI:67430
Peak:m/z	Relative Intensity
59.01264	9.0
60.54189	0.4
67.01806	0.4
70.35599	1.3
87.84507	0.4
93.03366	2.4
100.63673	0.4
117.03381	24.9
117.88994	0.4
118.04282	2.2
119.04947	21.0
120.05328	0.7
121.02872	11.2
123.04434	4.1
133.02902	2.6
134.03691	1.1
138.12001	0.4
145.02896	52.1
146.03229	3.3
162.03172	3.5
163.03981	9.8
163.05350	0.6
173.04530	2.7
188.84081	0.5
233.11855	100.0
234.12190	9.0
237.71750	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	236.0777
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53412	3.4
54.99525	3.3
59.01261	22.4
61.98720	34.2
71.01273	28.4
71.22024	6.7
72.99184	22.5
73.02835	9.1
75.00755	10.6
83.01277	7.5
84.02063	100.0
85.02824	21.3
86.74342	3.3
87.00774	12.7
89.02332	9.3
90.33350	3.8
93.23991	3.4
99.00758	5.4
99.04425	66.0
101.02336	11.4
111.00766	10.6
113.02361	8.5
129.01865	9.5
143.03508	4.6
161.04480	5.9
177.04118	5.7
205.03534	26.0
237.06033	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	230.0674
Annotation	N-Succinyl-L-glutamate 5-semialdehyde
Peak:m/z	Relative Intensity
55.67094	0.9
59.01260	3.7
65.03835	1.5
68.99707	1.9
69.03339	3.5
71.01266	5.1
71.04903	0.9
71.59014	1.8
72.99203	1.7
73.02833	4.1
81.03333	5.9
83.04898	1.3
85.02818	4.9
87.00774	26.6
88.01099	1.0
94.02866	2.0
95.01298	1.8
97.02850	3.9
99.04419	2.6
103.00259	1.3
106.02894	1.6
108.02070	2.0
109.02863	26.8
110.03171	1.3
111.00767	1.4
111.04365	1.6
113.02317	1.1
115.00295	4.0
121.02866	4.0
123.04444	3.9
123.94044	1.0
124.03962	5.1
125.02365	10.1
127.03062	0.7
127.03931	19.3
132.04495	9.4
139.03947	1.7
148.03999	1.0
149.02376	4.0
150.05563	7.3
153.01872	6.8
168.03081	1.4
169.01387	4.6
171.02933	34.8
172.03291	1.0
176.03511	15.5
189.04019	5.0
194.04536	13.0
212.05679	1.8
230.06703	100.0
231.07112	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	233.0304
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01767	0.7
57.03335	5.5
59.01266	100.0
60.01606	1.0
60.99186	0.8
67.01776	4.5
68.99702	1.1
70.58652	2.1
70.59048	1.3
71.01270	18.0
72.01656	0.7
72.54449	0.6
72.99211	1.3
73.02850	2.6
74.02895	0.8
82.23583	0.7
83.01269	3.9
85.02842	5.0
87.00793	2.6
89.03976	0.7
93.03357	16.2
93.03918	0.9
99.00780	9.9
101.02367	1.0
104.03445	0.8
111.00789	10.2
111.04461	2.2
129.01869	14.4
132.99605	2.2
155.03680	0.8
173.00897	1.2
173.04509	23.6
174.04840	1.5
233.01048	0.8
233.06752	2.4
233.15462	11.3
234.06142	0.9
234.09883	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	233.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	38.3
60.01595	0.5
60.97404	0.5
60.99199	0.6
61.58848	0.3
65.79726	0.3
67.01781	1.5
69.34670	1.5
69.35103	1.9
71.01271	0.5
74.98960	5.7
74.99351	0.5
75.00765	0.6
91.02101	0.9
93.00048	2.8
93.03359	8.5
93.03918	0.6
111.04437	1.1
118.96135	0.7
134.99329	5.9
136.97273	1.9
149.00899	58.2
150.00864	4.6
150.98842	0.7
159.08452	1.2
161.06342	3.9
173.04524	9.4
174.04886	0.5
190.98598	0.5
215.05659	1.2
217.07208	88.7
218.07344	10.4
233.10355	100.0
234.10516	12.8
234.15706	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1291
Annotation	Cladospolide B
Peak:m/z	Relative Intensity
54.72615	0.4
55.01751	0.4
57.03345	0.4
59.01265	0.4
61.98724	0.3
69.25382	3.9
71.04902	0.4
80.02570	1.8
81.03358	2.3
83.01270	0.5
83.04916	7.0
84.02058	4.0
95.04930	0.8
106.17229	0.3
109.06505	0.4
125.05969	0.5
135.08130	0.4
136.47995	0.3
147.11568	0.5
163.11234	5.4
164.11569	0.5
165.12778	3.6
173.09550	0.3
181.12294	0.7
183.13861	0.9
191.10748	1.5
209.11819	100.0
210.12158	9.2
227.03416	0.7
227.07022	0.6
227.12892	3.4
227.16481	0.5
227.20221	1.1
228.13170	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.129
Annotation	Traumatic Acid
Peak:m/z	Relative Intensity
57.03327	1.2
59.01258	2.2
61.98710	1.6
65.01321	1.7
70.38035	0.9
71.57787	1.2
71.58165	1.5
74.87917	0.9
89.91711	0.9
99.08007	1.0
99.13354	0.9
99.92483	1.6
111.00777	1.3
111.08122	1.2
121.78323	1.0
127.25338	0.9
135.40994	1.0
137.02426	1.4
157.05077	1.1
165.12804	23.7
166.13165	1.9
181.06564	1.0
183.04504	1.3
183.13879	100.0
184.14284	8.4
189.25157	1.0
201.07881	1.1
208.93521	1.1
209.11790	7.0
210.12221	1.0
227.03532	2.6
227.07130	3.4
227.09247	2.0
227.12895	30.6
227.16322	5.1
227.20175	13.7
228.13226	3.4
228.16032	1.6
228.20496	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1134
Annotation	11-Hydroxyjasmonic acid
Peak:m/z	Relative Intensity
50.29853	0.4
59.01255	1.2
60.98890	0.7
60.99193	9.1
61.98728	0.7
70.45065	0.8
109.06603	0.7
112.17632	0.5
123.08020	0.5
137.02394	0.6
146.41762	0.4
151.11227	7.4
152.11610	1.1
153.12791	100.0
154.13129	9.0
163.11224	0.5
165.01845	1.0
165.07660	0.8
171.13858	26.4
172.14192	2.6
180.04315	0.6
187.65015	0.5
195.06706	0.7
197.11818	46.4
198.12155	4.7
207.10164	1.3
210.05322	1.0
211.11978	0.4
225.07741	0.9
225.11392	1.8
225.14931	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.134
Annotation	3-Oxo-2-(2Z-Pentenyl)cyclopentyl propionic acid
Peak:m/z	Relative Intensity
53.35534	0.6
55.16687	0.5
57.03334	1.9
57.61523	0.5
58.58912	0.6
59.01264	14.1
61.98711	4.4
69.03342	6.9
69.28655	5.2
69.29069	1.3
71.01270	1.1
71.04910	2.1
75.00780	0.6
78.81304	0.6
81.03371	0.7
85.02813	0.7
85.06474	2.0
90.25851	0.7
93.03348	0.8
95.04936	1.4
107.15137	0.6
109.06518	1.6
111.08064	0.9
125.09662	1.0
126.24936	0.6
127.53298	0.6
135.11720	0.8
141.01634	1.4
149.02429	0.7
149.09647	1.4
151.03987	0.7
161.13235	1.3
165.01869	1.4
166.06252	1.2
167.10719	6.9
177.12776	0.9
179.10814	3.1
179.14354	9.4
180.14684	0.7
193.01395	2.6
195.13882	23.2
196.14209	2.5
205.10358	0.6
205.12323	21.1
206.12675	2.5
208.03769	4.7
223.02873	5.2
223.06166	2.2
223.13402	100.0
224.03059	0.8
224.13742	11.9
231.16022	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1134
Annotation	Chloriolide
Peak:m/z	Relative Intensity
51.05107	0.9
57.03323	1.0
58.71460	1.1
59.01263	19.4
61.98722	7.6
62.68314	0.9
69.03341	1.9
71.01292	1.2
71.57919	1.5
80.02561	3.1
81.03356	7.2
83.04909	6.6
84.02063	3.6
85.02843	1.5
85.57388	0.8
93.03367	2.5
95.04945	1.1
97.02864	10.9
97.06492	1.6
99.00782	2.0
99.04427	1.1
101.02377	2.1
105.50732	1.0
106.04146	1.5
107.04922	2.3
109.02893	1.2
109.06505	64.7
110.03673	3.3
110.06827	4.0
121.06509	4.3
123.04467	1.7
125.09659	1.3
135.08073	6.8
136.05214	2.2
142.02692	5.1
151.03925	1.1
151.11218	1.7
153.12793	9.3
161.09694	3.2
163.11247	33.9
164.11546	2.8
165.07637	5.3
165.08919	1.5
171.13960	1.6
179.10710	1.9
180.04134	1.0
181.12312	16.3
182.12703	1.9
188.88481	1.0
189.09160	1.0
189.78746	1.0
195.02966	2.2
197.11804	6.8
207.10257	100.0
208.10625	10.2
210.05280	1.3
225.07785	1.8
225.11334	74.5
225.92711	1.1
226.11696	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	223.046
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	4.4
57.03344	15.6
58.00476	3.3
59.01266	38.5
63.57960	2.7
67.15707	2.6
71.01274	51.4
71.26891	5.6
72.99204	36.3
73.02832	10.4
75.00764	27.1
83.01278	12.3
84.02063	100.0
85.02425	3.3
85.02843	86.1
85.99966	3.3
86.03178	3.5
87.00769	25.8
88.01547	7.8
88.23790	2.6
89.02325	14.4
99.03803	5.2
99.04417	64.0
100.04767	3.1
101.02354	7.3
103.03914	9.1
111.00793	31.0
115.00293	16.7
123.00671	2.5
128.01068	8.9
129.01865	26.4
133.00465	2.9
133.01347	11.0
143.03441	11.7
147.02876	8.7
151.61417	2.4
158.50826	3.0
161.04506	51.6
162.04877	3.1
187.02414	2.9
193.01364	8.6
198.02364	2.5
205.03508	68.7
206.03886	4.2
208.03761	8.4
223.04585	97.7
224.04996	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	223.0459
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60274	1.3
51.92528	1.4
55.01754	5.3
57.03341	17.8
59.01260	20.3
61.64027	1.4
70.42560	2.3
70.42938	2.4
71.01270	36.8
72.99201	19.6
73.02821	5.6
75.00405	1.9
75.00761	16.6
83.01270	10.7
84.02063	48.5
85.02843	100.0
85.99909	1.9
86.03185	2.9
87.00771	22.0
88.01566	2.0
89.02333	7.2
99.00799	3.4
99.03811	2.5
99.04419	33.0
101.02362	9.9
103.03896	4.6
111.00790	34.9
115.00316	8.1
116.91040	1.4
125.02402	1.6
128.01047	5.0
129.01877	19.9
133.01358	6.1
143.03435	5.1
147.02948	8.8
151.05103	1.7
152.57111	1.3
155.91554	1.4
161.04491	23.1
162.04767	1.8
187.02335	2.5
191.01944	7.2
191.22159	1.4
205.03532	46.9
206.03850	3.5
208.03696	2.6
223.04572	65.2
224.04980	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0285
Annotation	Foetisulfide A
Peak:m/z	Relative Intensity
50.73460	0.2
57.03304	0.2
59.01265	6.4
59.96608	1.0
60.01595	0.3
61.01686	0.3
61.98722	2.1
65.00202	0.2
68.99715	0.4
69.74693	1.2
71.01273	0.7
73.02836	0.5
74.98965	12.6
75.96101	0.7
75.98916	0.5
83.01292	0.2
85.02816	0.2
89.02321	0.3
93.00032	9.8
93.99950	0.4
97.06519	0.4
101.02339	0.6
111.00788	0.2
121.02870	0.4
131.35381	0.2
135.51785	0.2
137.02370	0.3
141.01666	1.2
149.00902	11.4
150.00885	0.8
150.94739	0.2
150.98817	0.7
151.03864	0.9
151.07559	0.2
163.03906	0.2
164.04669	0.2
165.01854	0.8
166.06297	2.4
176.83641	0.2
179.07159	0.3
179.10643	0.4
193.01447	1.7
195.13876	1.9
206.99693	4.7
207.99797	0.7
208.03772	2.5
208.97656	0.3
223.02844	100.0
223.13394	3.7
224.02872	13.4
224.06195	0.2
224.13689	0.3
225.00864	0.2
241.03917	2.5
242.03925	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1496
Annotation	Putaminoxin E
Peak:m/z	Relative Intensity
55.27140	0.3
57.03338	0.4
59.01248	0.6
61.98715	0.5
69.97562	0.2
70.00637	0.9
70.01050	0.5
84.97047	0.2
87.00771	0.3
90.17522	0.3
97.02833	0.3
97.06483	0.3
123.51566	0.3
146.86855	0.3
151.11215	0.3
165.12733	0.3
167.14383	0.4
169.12274	0.5
171.06734	0.5
177.12869	0.4
180.98471	0.3
183.13878	25.5
184.14191	2.3
186.06720	0.4
187.06137	0.5
195.13890	20.7
196.14241	2.1
211.13266	0.3
213.14961	100.0
214.07190	0.5
214.15331	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	217.003
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07038	0.4
59.01264	100.0
60.01611	1.3
71.01263	0.6
71.25156	0.4
85.02834	0.8
86.04244	0.4
88.03931	0.7
89.02339	0.5
90.97028	1.6
92.83872	0.4
99.88251	0.4
122.78738	0.4
127.03979	0.6
132.98138	3.0
145.02820	0.7
156.99858	0.4
167.47322	0.4
174.99210	27.8
175.99538	0.9
217.00258	31.2
217.05005	1.4
217.08711	0.7
217.10690	0.6
217.32990	0.4
218.00620	1.4
218.04590	0.9
218.98227	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	218.1035
Annotation	Sodium pantothenate
Peak:m/z	Relative Intensity
50.58075	0.6
58.02258	0.4
59.01268	4.2
60.19579	0.4
69.44165	4.3
71.01269	13.0
71.04907	22.5
72.00784	1.0
88.03936	100.0
88.08391	0.5
88.33799	0.5
89.03751	0.6
89.04247	2.4
99.04415	7.6
108.89357	0.4
116.03419	0.7
116.07108	2.6
129.05524	1.0
146.08167	46.4
147.08502	2.0
147.97380	0.5
174.01819	0.7
218.10347	33.3
219.03000	1.1
219.10561	2.9
219.17520	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	219.1027
Annotation	Precocene II
Peak:m/z	Relative Intensity
53.51973	0.3
59.01265	3.4
61.01677	0.4
61.98717	13.3
71.01290	0.3
71.04919	0.5
71.06888	0.7
71.63976	0.3
75.00751	0.8
75.52555	0.3
93.03363	1.1
98.22433	0.3
98.78870	0.3
107.31240	0.3
110.10457	0.3
117.03377	25.5
118.03658	0.9
118.04266	0.6
119.04951	22.4
120.05293	1.4
121.02876	13.6
122.03250	0.7
123.04444	4.7
132.05743	0.5
133.02896	2.8
134.03667	1.4
145.02890	50.3
146.03233	3.2
147.04445	0.6
160.84192	0.4
162.03186	4.0
163.03957	10.3
164.04320	0.6
173.04579	0.3
175.03954	0.4
175.07620	0.6
175.79308	0.3
184.97253	0.3
204.00641	0.3
204.04233	0.3
218.19571	0.3
219.03017	1.1
219.10268	100.0
219.17508	15.3
219.97745	0.6
220.10597	10.0
220.17860	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0763
Annotation	Unknow
Peak:m/z	Relative Intensity
60.71871	0.3
69.24281	0.9
69.24696	2.5
93.03371	2.0
95.04915	0.4
98.19834	0.7
117.03408	0.3
123.04434	1.2
169.06473	0.6
181.06488	0.3
182.07364	0.5
183.08070	1.1
193.06589	0.3
195.04523	0.3
209.06049	1.6
210.06848	27.5
211.07620	100.0
212.07967	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	211.0764
Annotation	Unknow
Peak:m/z	Relative Intensity
71.14793	0.3
80.79884	0.2
93.03338	0.9
95.04912	0.2
115.83514	0.2
117.03365	0.4
123.00775	0.2
123.04440	0.8
168.05692	0.2
169.06540	0.4
181.06564	0.3
182.07384	0.3
183.08195	1.0
196.05098	0.2
209.06111	1.0
210.06859	20.3
211.07632	100.0
212.07976	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	211.0762
Annotation	PINOSYLVIN
Peak:m/z	Relative Intensity
51.55905	0.3
52.75182	0.3
61.98705	0.5
68.69795	0.2
70.91356	0.5
93.03362	1.4
95.01279	0.4
104.56808	0.3
117.03391	0.6
123.00822	0.3
123.04431	1.1
125.87329	0.2
142.82005	0.3
169.06517	0.6
182.07426	0.5
183.08176	0.9
193.06465	0.3
195.04488	0.3
209.06055	1.2
210.06860	25.8
211.07625	100.0
212.07971	12.7
212.10017	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0764
Annotation	PINOSYLVIN
Peak:m/z	Relative Intensity
64.63471	0.3
70.61398	0.8
77.56989	0.3
89.38809	0.2
93.03363	1.1
95.04939	0.3
98.20421	0.3
104.87689	0.3
117.03390	0.5
123.04411	0.8
167.08582	0.3
169.06592	0.5
182.07167	0.4
183.08093	1.2
209.06100	1.2
210.06851	24.7
211.07628	100.0
212.07976	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	211.0764
Annotation	PINOSYLVIN
Peak:m/z	Relative Intensity
71.06657	0.7
71.06992	0.5
72.17505	0.4
93.03364	1.5
123.04485	1.0
147.56177	0.4
156.71928	0.4
161.66313	0.4
168.95529	0.4
169.06575	0.5
182.07365	1.1
183.08087	1.1
209.06073	1.3
210.06870	28.3
211.07635	100.0
212.07976	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	211.1338
Annotation	7-Oxo-11-dodecenoic acid
Peak:m/z	Relative Intensity
55.23478	0.4
57.98273	0.4
59.01253	2.0
60.77820	0.5
61.98722	0.6
63.63301	0.5
63.83055	0.4
69.03344	1.4
71.01234	1.0
71.56994	0.6
80.02544	0.4
83.01260	0.5
83.04906	0.7
89.01337	0.4
91.03902	0.4
95.01310	1.0
95.04905	0.7
97.02811	0.5
101.02350	0.6
101.67019	0.4
102.86953	0.4
111.49883	0.4
115.23441	0.4
121.02874	0.9
125.02481	0.4
127.97414	0.4
134.03659	0.6
137.02354	1.3
139.03926	0.5
141.01849	0.4
151.03922	0.6
151.06021	2.2
153.05650	0.4
163.03923	0.5
165.12788	0.5
167.10712	2.5
167.14363	1.9
181.01408	0.8
181.05060	0.6
183.13863	12.3
184.14235	0.9
193.09795	1.0
193.12314	3.5
196.03725	1.3
210.06853	1.5
211.06006	1.1
211.07899	5.4
211.13380	100.0
212.03728	0.5
212.05734	0.5
212.07852	0.8
212.13721	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	207.0511
Annotation	Methylglucopyranosiduronic acid
Peak:m/z	Relative Intensity
51.77573	1.1
55.01754	1.8
57.03324	3.5
58.00483	1.7
59.01264	46.7
65.99712	1.4
69.03343	2.9
71.01271	16.4
71.56230	2.1
72.99201	18.8
73.02836	15.7
73.37481	1.4
75.00768	25.1
78.95786	4.9
80.96375	1.4
81.03337	4.5
83.01266	5.6
83.04900	1.6
85.02841	23.6
87.00777	18.5
89.02342	5.8
93.03380	1.6
95.01289	3.9
96.95924	12.3
97.02844	1.8
99.00777	11.6
99.04421	2.0
101.02349	24.6
102.02686	2.1
103.00275	1.7
108.02068	2.3
108.04481	1.5
109.02876	20.2
110.02327	1.4
111.00788	1.5
113.02354	10.7
114.07404	1.4
117.01115	2.1
117.01857	25.3
118.02939	1.4
125.02344	8.6
127.00334	3.3
127.03024	1.9
127.03951	11.1
129.01866	17.5
131.03394	2.3
135.02919	38.4
136.03284	2.5
136.93932	4.9
137.02371	2.2
143.03438	3.4
147.02922	7.8
149.02345	3.0
153.01854	2.9
164.03452	1.7
171.02951	15.3
177.01901	20.1
189.04092	7.5
191.82309	1.2
192.00546	1.8
192.04240	19.0
193.04591	2.2
194.55217	1.6
206.95532	2.1
207.05070	100.0
207.06602	6.1
208.05421	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	209.1182
Annotation	6-Oxo-7(9)-dehydro-6,7-dihydrogeranyl acetate
Peak:m/z	Relative Intensity
56.47095	0.5
57.03335	2.9
57.49480	0.5
59.01265	100.0
60.01604	1.6
61.98714	1.1
62.40600	0.6
66.03333	0.5
67.01794	0.7
69.03359	0.5
70.15324	1.7
72.31945	0.5
80.02573	0.8
80.65508	0.4
81.03364	1.7
83.04938	0.7
85.02877	0.8
91.02930	0.5
92.99720	0.9
93.03364	1.7
94.02890	0.7
95.01292	0.8
95.04935	0.6
96.95919	0.7
97.06500	3.5
98.02384	0.5
108.02111	0.5
109.02907	0.5
109.06491	4.1
120.02103	0.9
121.02876	59.5
122.03174	3.5
123.00815	0.6
123.04456	0.7
124.03976	1.4
125.02328	0.6
135.04443	0.7
136.01547	1.0
136.98761	0.8
137.02383	1.0
137.05986	0.9
149.09698	0.6
151.03920	1.3
156.05597	1.1
161.02409	1.4
164.94112	0.5
164.98238	0.6
165.01898	0.6
165.05579	0.7
165.12807	4.7
167.03485	0.6
176.04692	0.8
178.99792	1.1
179.03505	3.0
181.05042	1.0
183.06694	2.1
191.07149	0.5
194.02173	3.0
194.05867	3.7
196.64894	0.4
209.00922	0.5
209.04533	11.3
209.06352	1.1
209.08583	2.8
209.11826	19.9
209.95004	0.5
210.04935	1.3
210.07898	1.1
210.12173	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	211.0763
Annotation	PINOSYLVIN
Peak:m/z	Relative Intensity
58.75360	0.2
58.84000	0.2
71.21677	0.4
83.29340	0.2
83.29854	0.2
83.65408	0.2
93.03358	1.7
95.04945	0.4
117.03394	0.6
123.04477	1.0
141.07079	0.2
158.46616	0.2
169.06580	0.6
181.06503	0.3
182.07324	0.7
183.08221	1.0
184.13983	0.2
193.06615	0.3
205.18379	0.2
209.06120	1.6
210.06862	27.4
211.07632	100.0
212.07973	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	211.0764
Annotation	PINOSYLVIN
Peak:m/z	Relative Intensity
62.35418	0.2
69.39909	1.4
69.40352	1.0
83.84985	0.2
88.56184	0.2
92.58140	0.3
93.03363	1.4
98.19836	0.5
102.54343	0.3
117.03375	0.7
123.04421	1.1
167.08609	0.3
169.06534	0.4
181.06570	0.3
182.07368	0.7
183.08109	1.0
196.05168	0.3
209.06096	1.1
210.06873	24.9
211.07635	100.0
212.07974	12.6
212.11002	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0763
Annotation	Unknow
Peak:m/z	Relative Intensity
57.51408	0.2
70.88126	0.2
70.88470	0.4
71.68317	0.2
72.16705	0.2
81.77537	0.2
83.68555	0.2
90.23206	0.2
93.03372	1.3
95.04923	0.3
96.05803	0.2
117.03353	0.4
123.04464	0.8
133.00810	0.2
149.12366	0.2
167.08614	0.2
169.06569	0.4
171.80922	0.2
181.06465	0.4
182.07364	0.5
183.08127	1.4
184.05226	0.2
193.06526	0.5
209.06155	1.1
210.06851	27.6
211.07619	100.0
212.07977	11.5
220.01971	0.2
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	Unknow
Peak:m/z	Relative Intensity
58.02864	100.0
59.01253	3.6
59.03197	1.7
61.14273	0.5
70.02869	8.5
71.13526	1.0
71.93542	0.5
72.00800	3.4
91.05428	9.1
135.04480	1.1
146.23743	0.5
147.04462	22.9
148.04761	1.9
162.09195	1.0
164.07121	75.0
165.07452	5.1
177.01849	0.6
206.08218	32.9
207.08621	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	206.0821
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55038	0.5
58.02864	30.2
61.64406	0.5
63.68914	0.6
66.90477	0.6
70.02869	11.8
72.00802	3.6
81.22202	0.6
86.81867	0.6
91.05433	11.1
92.05775	0.7
135.04401	1.4
141.57790	0.6
147.04451	32.8
148.04782	2.2
162.09198	2.1
164.07118	100.0
165.07484	8.0
201.99652	0.6
206.08208	55.6
207.08511	5.0
221.36342	0.7
229.27774	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1596
Annotation	(E,E)-4,4,8-Trimethyl-2,8-cycloundecadien-1-one
Peak:m/z	Relative Intensity
58.02859	0.4
59.01264	2.2
69.88483	0.8
69.88902	0.6
71.01253	0.5
72.99177	0.2
75.00747	0.3
83.09348	0.2
84.02030	0.2
85.02842	0.5
87.00782	0.2
98.19904	0.5
98.20467	0.4
99.00743	0.3
115.00291	0.5
124.38816	0.2
124.98612	0.2
133.06487	0.2
159.01421	0.2
160.13077	0.2
161.02405	0.4
161.05968	0.3
162.89278	0.5
164.07098	0.7
182.62486	0.2
184.55045	0.3
188.50520	0.2
189.12834	1.2
205.01318	0.6
205.15959	100.0
206.08212	0.3
206.16293	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	203.0196
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66032	2.0
55.01754	3.7
57.03333	4.8
58.00442	2.3
58.02848	3.4
59.01262	42.9
60.99180	4.4
62.10828	2.3
63.40780	2.7
67.01791	2.3
68.99710	4.1
69.03344	74.3
69.92931	4.2
69.93342	8.0
70.03683	3.4
71.01270	63.0
72.99206	18.6
73.02843	5.0
75.00774	12.5
78.98020	2.1
79.01797	7.9
83.01272	4.9
85.02868	12.8
86.00001	3.3
87.00776	25.5
93.03352	3.0
95.01280	9.0
97.02850	81.8
99.00794	14.2
100.03948	5.0
100.98723	3.9
101.02350	4.8
101.68256	2.0
105.01855	12.0
107.00217	2.3
111.00790	4.0
111.04484	3.3
112.98698	4.4
113.02341	5.2
115.00301	17.3
116.07082	3.3
123.00784	4.8
123.04497	3.1
127.00285	6.4
129.01865	7.1
131.03424	5.3
140.07088	4.8
141.01880	22.1
142.99779	6.4
145.01346	7.3
153.55745	2.4
158.08173	10.1
160.03922	3.7
174.01611	3.4
175.04030	3.8
185.00902	2.3
186.07655	5.3
187.02354	3.0
203.01944	100.0
203.03351	4.6
203.05440	4.3
203.10715	3.3
204.02600	18.5
204.08734	30.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0353
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01786	0.5
55.04881	0.4
57.03326	0.9
58.00476	1.2
59.01264	5.8
68.99706	0.8
71.01270	7.2
71.04910	0.4
71.13204	1.0
72.99203	4.7
73.02834	2.2
75.00778	2.6
76.85617	0.3
81.03346	0.9
83.01263	1.0
84.02060	100.0
85.02387	2.8
85.02851	4.9
87.00779	3.6
93.82952	0.4
94.19135	0.4
99.00784	2.4
99.04417	40.6
100.04759	1.5
101.02340	2.3
101.99493	0.5
111.00776	3.8
112.98711	0.5
115.00293	4.8
115.03931	0.6
117.01820	0.8
124.98710	0.6
125.02370	4.9
126.11503	0.5
127.00330	0.7
129.01859	1.0
130.99883	0.4
142.99794	1.3
143.03415	0.5
143.07056	0.6
145.01350	2.4
154.99829	1.4
161.04449	2.2
173.00876	0.4
175.02422	0.6
187.02405	0.9
205.03548	9.1
205.07068	0.6
206.03873	0.6
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
55.01773	2.4
57.03333	3.1
59.00994	2.8
59.01266	38.2
60.96041	1.9
60.99188	3.9
68.99699	2.9
69.03345	74.6
71.01273	59.5
71.56080	1.8
72.99200	19.6
73.02818	3.4
75.00769	14.9
79.01772	5.1
83.01273	6.5
85.02831	15.7
85.99973	2.4
87.00774	19.8
95.01286	11.8
97.02853	92.7
98.00015	3.7
98.03178	3.5
99.00766	16.2
100.03951	3.6
100.98698	6.3
101.02390	3.8
105.01804	9.5
111.00771	3.9
111.04399	2.3
112.98681	2.8
113.02337	6.6
115.00283	19.0
116.07101	2.5
117.01855	2.7
123.00776	6.2
123.04421	2.6
127.00306	5.6
129.01877	6.6
131.03436	4.6
131.04930	2.7
140.07129	2.5
141.01874	29.4
142.02264	2.0
142.99773	6.7
143.92009	2.1
145.01355	5.9
158.08154	8.0
159.02921	2.8
159.04343	2.6
160.03996	7.8
174.01543	2.8
185.00911	2.3
186.07693	4.3
203.01952	100.0
203.07191	2.5
203.10693	2.6
204.02567	16.4
204.08771	15.3
208.35428	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	198.0407
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01258	0.5
61.98724	0.5
65.01339	0.7
69.71265	0.5
69.71672	1.1
107.92627	0.2
110.00005	0.4
130.04059	0.3
131.80850	0.2
139.99809	4.0
144.05603	0.3
153.01851	1.3
154.01387	0.6
155.10759	0.4
157.05154	0.2
167.99338	89.4
168.99684	4.5
171.06699	1.1
172.05078	0.3
182.00914	1.9
183.01697	100.0
184.02057	6.1
198.04057	26.9
198.07838	0.4
199.04430	2.0
199.06097	0.5
199.09764	0.6
199.13371	0.5
199.17162	0.3
203.08842	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1181
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
50.90741	0.3
57.03334	0.4
59.01268	2.8
60.99193	21.7
61.98709	1.5
64.56071	0.4
65.01324	1.5
66.02623	0.4
68.99709	0.5
69.03329	0.6
71.01278	0.6
71.57446	0.8
78.96341	0.4
80.99688	0.6
81.03352	0.5
83.01289	0.8
84.73770	0.5
95.01295	1.1
97.02843	0.7
99.00817	0.5
109.02862	0.7
111.08228	0.4
112.03954	0.5
121.02879	1.2
121.70791	0.4
123.00810	5.5
123.08138	0.7
125.02374	0.9
126.90455	0.9
130.04106	0.8
137.02394	0.7
138.03165	1.8
139.00351	0.4
140.01118	0.4
144.05641	0.6
150.26796	0.4
151.11230	14.0
152.11586	1.0
153.01848	1.1
153.05496	1.3
153.12790	100.0
154.13130	8.7
156.05594	0.7
157.05130	0.6
160.84181	0.9
162.83865	1.8
166.99820	3.8
167.03569	0.4
167.99298	3.6
171.06700	2.5
171.13867	31.7
172.14253	2.7
179.07076	0.4
182.02159	8.3
183.01610	3.5
197.04614	3.9
197.11810	87.6
197.64307	0.4
197.80739	1.5
198.04045	2.3
198.07907	0.7
198.12131	8.2
219.37683	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	194.0457
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29850	0.4
57.03355	0.7
59.01265	31.6
60.01626	0.4
64.01836	0.6
65.00262	0.5
65.99734	4.9
66.03417	0.4
69.03385	1.1
70.03709	0.5
71.01279	3.3
71.57372	0.4
72.01636	1.8
73.02837	4.2
74.03209	1.6
75.00777	0.7
81.03402	1.2
83.01313	1.3
84.01646	1.2
85.02847	4.4
86.00069	0.5
86.03169	2.4
87.00807	1.8
88.01147	1.4
89.02395	0.6
93.03397	1.6
95.01336	1.5
96.01646	0.9
96.95927	0.6
97.02846	0.9
98.03223	1.5
99.00773	2.7
100.01112	2.9
101.02356	3.1
102.02696	3.6
108.02098	1.3
108.04425	0.5
108.62527	0.4
109.02882	1.3
114.02704	0.9
119.04989	0.6
120.04496	0.9
121.02891	2.2
122.02451	0.6
123.00802	1.0
123.04472	0.6
124.03992	0.5
125.02422	0.8
126.02694	1.9
131.03687	0.6
135.04379	0.9
135.06566	5.7
136.05243	0.8
137.02385	4.4
139.03987	1.3
141.01433	0.5
142.02237	1.6
147.03246	0.7
147.04395	0.6
148.03983	0.9
149.02382	53.8
150.02945	3.4
151.03873	1.0
151.07587	0.7
152.03398	0.5
152.91718	1.0
156.03754	1.7
159.03148	0.6
160.03267	0.5
161.04510	1.4
162.04843	8.4
163.03928	12.8
164.04738	100.0
165.01924	1.0
165.05087	6.2
166.99797	0.7
167.03430	0.6
167.90434	0.5
170.14247	0.4
175.02751	1.2
176.03464	2.1
179.03065	1.8
180.04286	3.4
180.57974	0.4
189.88579	0.5
194.04550	20.6
194.07333	5.2
194.92720	0.6
194.99298	0.5
195.02965	0.8
195.04820	1.3
195.06602	3.0
195.10266	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1181
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
59.01266	8.2
60.99195	4.9
61.01697	1.3
61.98709	5.7
65.00202	1.1
65.01318	2.3
65.59898	1.0
69.03348	2.3
71.56921	1.1
83.04900	1.8
85.02849	1.2
91.21981	1.0
95.01297	3.5
97.02842	2.6
106.04063	1.0
109.02865	1.5
109.06508	1.4
111.04447	1.3
112.01579	1.6
112.03935	0.9
116.92749	2.0
121.02860	4.2
123.00806	13.0
123.04417	1.2
125.02383	2.4
126.90409	2.1
130.99197	1.1
132.20233	1.0
137.02365	2.8
137.07025	1.5
138.03140	5.2
139.03946	1.3
150.03159	1.2
151.11244	3.4
153.01851	2.2
153.05547	4.9
153.09195	4.6
153.12796	19.0
154.13159	1.6
156.05630	1.2
157.05133	1.8
160.84193	7.5
162.83865	21.7
166.99814	11.2
167.99327	13.7
169.12292	11.8
170.04790	1.0
171.06697	5.0
171.13914	4.4
179.10741	1.4
182.00604	1.9
182.02190	24.7
183.01675	17.8
197.00781	1.0
197.04555	9.5
197.08272	4.9
197.11830	100.0
197.80800	13.1
198.03972	7.5
198.07779	2.5
198.12158	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	197.1181
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
59.01253	0.9
60.82429	0.4
61.13763	0.3
61.98715	0.7
69.03331	0.5
69.43184	0.6
69.43587	2.5
71.04911	1.0
81.77695	0.3
85.02855	0.4
95.04926	0.4
97.06491	13.6
98.06812	0.8
98.19772	0.6
99.08058	3.3
109.02930	0.4
109.06548	0.6
116.92776	0.4
121.02872	0.5
122.03667	1.6
123.00819	2.0
125.02349	0.4
125.09695	0.6
126.03143	1.1
137.09676	1.5
150.03177	0.4
151.11249	1.2
153.12791	100.0
154.13118	9.0
160.84146	1.5
162.83856	4.9
166.99785	1.8
167.99356	1.2
170.49054	0.4
171.13840	0.8
179.10741	22.6
180.11044	2.1
182.02144	3.7
183.01799	1.2
197.04533	1.1
197.06290	0.4
197.08138	0.6
197.11809	10.3
197.80774	3.0
198.04132	0.5
198.12155	1.0
215.26941	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0867
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	1.1
57.03337	1.0
58.00475	0.7
59.01261	5.3
59.68484	0.4
67.01790	0.4
69.03342	3.2
71.01272	8.3
72.99204	0.8
73.02837	7.9
74.03138	0.6
79.01767	0.6
81.03339	0.9
83.01283	3.3
84.82893	0.4
85.02843	9.3
86.00010	1.5
87.00768	7.5
89.39778	0.4
95.01290	1.4
97.02852	3.6
99.00777	7.5
101.02348	11.9
107.04954	0.5
109.02853	0.6
111.00781	1.1
112.01543	0.6
113.02362	2.0
115.03867	0.4
121.02882	0.5
123.00781	1.1
124.01569	0.6
125.02361	3.7
134.03702	1.9
135.04453	22.3
136.04810	1.5
140.01100	0.8
141.01855	3.0
142.02646	0.6
143.03333	0.4
149.06020	0.5
155.03424	2.4
159.02965	0.7
161.04509	16.1
162.04826	1.3
163.03955	100.0
164.04305	6.5
175.06061	1.2
178.02718	2.3
178.06316	71.9
179.03273	0.5
179.06662	5.0
191.05559	0.6
193.01393	0.7
193.05258	0.6
193.05746	0.4
193.07117	9.6
193.08694	10.3
194.09077	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0715
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01775	14.4
57.03335	9.9
58.00490	7.6
58.86343	2.5
59.01265	61.2
68.99709	5.1
69.03346	30.6
70.05500	12.0
71.01271	76.5
72.01622	2.4
72.99210	9.6
73.02836	79.0
73.03253	4.2
75.00775	6.3
79.01806	4.9
81.03336	3.8
83.01281	35.4
85.02848	100.0
85.03361	4.9
86.00007	14.8
86.00463	2.2
86.03168	4.7
87.00775	62.8
89.02352	7.4
90.58112	2.1
95.01295	15.4
97.02854	31.3
98.20525	4.5
99.00784	73.5
101.02352	83.6
107.01272	2.5
111.00815	8.5
112.01601	7.8
113.02380	12.6
115.03918	2.8
123.00820	10.1
124.01580	3.6
125.02366	26.1
125.03153	2.8
129.01947	2.7
140.01112	11.7
141.01857	19.8
142.02679	3.4
155.03448	17.2
159.02922	4.9
161.04504	98.6
162.04892	8.8
175.06088	6.0
178.02667	3.9
191.05676	3.8
193.07216	72.7
194.07516	6.9
194.33759	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	191.0559
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17152	0.3
51.21908	0.3
54.60154	0.3
56.93538	0.3
57.03336	1.6
59.01264	4.4
59.38219	0.3
59.41781	0.3
64.17788	0.3
65.00137	0.3
67.01784	1.0
69.03323	0.7
70.34182	0.7
70.34595	0.9
71.01272	1.9
73.02834	1.4
81.03358	0.8
83.04935	1.0
85.02843	25.6
87.00773	12.1
93.03359	6.8
94.03705	0.4
98.19846	0.5
99.00753	1.1
99.04433	0.7
101.02334	0.4
109.02842	1.5
111.00788	13.2
111.04413	2.3
112.24336	0.3
127.03941	5.5
127.04815	0.6
129.01814	0.8
171.02943	1.5
173.04520	1.8
191.05594	100.0
192.05943	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	193.0716
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61089	1.6
50.89172	1.8
51.87632	1.8
54.07195	1.6
54.18034	1.5
55.01768	6.9
57.03312	4.7
58.00476	1.9
59.01264	29.7
59.47676	1.6
69.03345	16.5
70.77920	4.7
71.01273	59.8
72.99197	7.2
73.02840	44.0
73.36528	1.8
75.00781	2.5
79.01796	2.1
81.03338	6.6
83.01278	18.7
85.02346	3.2
85.02845	50.8
85.99998	8.2
87.00774	41.3
88.01591	1.7
89.02366	1.7
95.01287	13.2
96.95912	4.9
97.02857	20.5
99.00784	48.0
101.02353	69.1
108.02051	2.9
109.02854	3.5
111.00804	4.6
111.86527	1.6
112.01553	4.7
112.72178	1.7
113.02377	16.5
117.01817	2.5
121.02917	3.0
123.00841	10.6
123.04426	2.8
124.01620	2.5
125.02351	22.0
127.03970	2.1
133.02869	2.8
134.03693	21.4
136.93932	4.5
137.02388	7.4
140.01086	5.7
141.01883	18.7
142.02664	2.6
149.02373	2.2
149.06047	5.4
150.03114	1.7
155.03439	11.9
156.03775	2.0
159.02863	2.5
161.04507	100.0
162.04836	5.3
175.06088	3.1
177.98985	2.9
178.02676	33.1
179.03094	2.5
191.05612	2.0
193.01428	5.5
193.05069	15.5
193.07146	67.3
193.08676	4.2
194.07497	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0557
Annotation	Quinic acid
Peak:m/z	Relative Intensity
55.10232	0.3
57.03341	1.7
59.01263	2.0
64.24618	0.3
67.01768	1.3
69.22354	0.3
71.01266	1.1
71.16621	0.7
73.02824	0.8
81.03329	0.5
81.34024	0.3
83.04937	0.4
85.02839	19.5
86.03153	0.6
87.00767	11.4
88.95190	0.3
93.03368	4.0
94.14544	0.4
99.00790	0.5
99.04420	0.6
107.93372	0.3
109.02857	1.3
111.00791	25.4
111.04413	1.1
112.01128	0.7
127.03945	2.8
129.01842	1.7
173.00864	0.5
173.04488	1.2
191.02008	5.6
191.05577	100.0
192.05913	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	191.0348
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	0.7
59.01265	7.3
67.01786	0.9
69.03336	0.4
69.52319	0.3
71.01257	1.7
71.13197	0.8
73.02843	1.3
81.03378	0.6
81.31036	0.3
81.77744	0.3
83.04909	0.7
84.02069	0.4
85.02843	16.6
86.03201	0.4
87.00768	6.1
93.03349	4.5
99.00780	0.7
99.04416	0.3
101.02349	0.6
103.03883	0.3
104.02618	0.4
105.03400	0.3
109.02869	1.1
111.00788	6.5
111.04439	1.2
113.02370	0.4
119.04945	1.9
121.02872	100.0
122.03209	6.0
127.03940	2.7
131.03404	0.7
140.13924	0.3
147.04459	7.6
163.03979	0.6
171.02954	0.3
173.04506	1.1
174.90591	0.3
176.01100	1.5
176.34608	0.3
191.03520	9.5
191.05574	64.7
192.03981	0.7
192.05913	3.7
212.13800	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0559
Annotation	Quinic acid
Peak:m/z	Relative Intensity
55.40649	0.2
57.03336	0.6
59.01266	5.5
60.99151	0.3
67.01786	1.3
69.03349	0.9
71.01264	2.4
71.42971	0.4
72.99202	0.4
73.02835	1.5
81.03348	1.3
83.04909	1.1
83.05672	0.2
85.02846	24.8
86.03177	0.7
87.00774	5.2
87.01280	0.4
93.03363	8.8
94.03710	0.5
95.01287	0.4
97.02838	0.2
99.00774	0.4
99.04440	1.1
101.02370	0.3
108.02100	0.3
109.02872	2.1
111.00793	0.8
111.04419	2.2
113.02350	0.4
123.93806	0.2
125.02404	0.2
127.03938	4.8
131.03479	0.2
137.02393	0.3
139.73010	0.2
143.03407	0.2
155.03452	0.3
163.00322	0.2
171.02931	1.3
173.04539	1.9
176.01080	0.4
185.74348	0.2
191.05586	100.0
192.05920	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	183.1024
Annotation	1,6,6-Trimethyl-2,7-dioxabicyclo[3.2.2]nonan-3-one
Peak:m/z	Relative Intensity
51.59600	0.2
57.03327	0.3
59.01266	2.0
65.00175	0.3
65.01328	1.3
65.99737	0.2
66.00825	0.2
67.01770	0.3
67.59030	0.2
68.99438	0.3
69.03349	0.3
70.73017	0.5
70.73405	0.5
71.01271	0.2
71.04914	0.9
81.03369	0.2
83.01265	0.3
83.04924	0.3
83.35027	0.2
87.04397	0.3
89.01344	0.4
90.00876	0.4
91.02946	0.2
94.02862	0.2
95.01278	0.4
97.02845	0.4
97.06487	0.3
98.02361	0.2
99.05585	0.2
108.38188	0.2
109.02890	0.4
111.00777	0.8
111.04430	3.1
111.08070	0.2
112.03958	0.6
112.98446	0.5
115.02957	0.4
116.02445	0.5
121.06503	0.3
123.00797	0.3
123.04438	0.2
124.01559	0.6
124.03918	0.2
125.02360	0.2
130.04050	0.8
133.18893	0.2
137.02403	0.2
139.00313	0.4
139.03937	0.6
139.07619	0.4
139.11247	1.1
140.01176	0.2
140.07170	0.3
142.04054	0.5
143.03641	0.3
143.04834	0.6
144.04277	0.4
152.98213	0.5
155.10736	1.2
156.05641	1.9
157.05119	3.0
164.98239	0.6
167.99309	0.5
168.00589	1.5
168.03070	0.3
183.00455	0.5
183.02995	1.2
183.06946	2.0
183.10229	100.0
184.06134	1.0
184.10570	8.6
201.71811	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0715
Annotation	1,3-Dimethyl-6,8-isoquinolinediol
Peak:m/z	Relative Intensity
58.02851	0.5
59.01264	0.3
65.01343	0.4
65.99729	0.4
68.99698	1.1
69.94256	1.5
85.15938	0.3
96.00815	37.2
97.01606	14.0
98.01910	0.5
106.04005	0.4
110.02396	0.6
125.09655	0.3
130.04164	1.1
134.03493	0.3
143.04970	0.6
145.02917	0.3
145.06528	12.4
146.05908	0.5
146.06882	1.0
147.04492	0.3
162.03070	0.2
170.06030	0.5
171.03014	0.3
188.07140	100.0
189.07498	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	191.0196
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78485	0.7
53.42319	0.6
54.72790	0.7
57.03324	1.9
59.01274	3.3
60.94529	0.7
70.50927	1.4
70.51324	1.7
71.01259	2.3
73.02827	1.0
83.04901	0.7
85.02839	27.9
87.00767	20.5
89.25933	0.6
93.03358	5.0
99.00742	0.7
99.04410	0.9
102.67489	0.6
109.02840	1.0
111.00789	38.0
111.04425	2.4
112.01112	1.1
115.08719	0.6
127.03928	3.0
129.01845	1.8
145.15547	0.6
173.01045	0.7
173.04468	1.8
191.02023	4.0
191.05588	100.0
192.05899	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	179.0707
Annotation	Coniferyl alcohol
Peak:m/z	Relative Intensity
54.20117	0.2
55.16350	0.2
57.03332	0.5
57.17328	0.2
58.00469	0.5
59.01262	9.5
60.01594	0.3
60.28708	0.2
63.02264	0.4
65.00198	0.3
65.01354	0.3
65.99726	0.4
69.03330	0.5
69.86246	0.5
69.86652	1.2
71.01270	8.1
72.99196	0.6
73.02840	0.9
73.11964	0.2
73.16904	0.2
75.55978	0.2
81.03345	0.4
82.03987	0.3
83.01289	1.0
83.02383	0.3
85.02838	2.5
85.43615	0.2
87.00771	9.8
89.02340	4.8
94.02934	0.3
95.01278	0.7
95.02396	0.3
97.02852	0.6
99.00785	2.4
101.02367	1.8
107.01293	1.0
107.04935	0.4
109.02847	0.7
109.04000	0.4
110.03519	0.4
113.02345	1.1
116.47626	0.2
117.01853	1.8
117.03339	0.3
119.03407	0.2
119.04900	0.4
120.31903	0.2
121.02867	0.8
122.03614	0.2
123.00701	0.3
125.02360	1.2
129.01872	0.3
134.03596	0.4
135.00854	0.3
135.04445	4.4
136.01581	0.3
136.04913	0.7
137.02406	2.9
137.03452	0.4
138.03134	0.4
141.01884	0.8
143.03424	0.3
145.02867	0.4
146.03636	0.4
147.04442	0.6
151.00319	1.0
151.07567	0.4
152.04547	0.3
159.02946	0.4
161.04501	6.0
162.04796	0.3
163.03960	3.8
164.04736	100.0
165.05081	7.3
177.04008	0.5
178.99829	1.9
179.03505	1.7
179.05571	8.2
179.07101	11.8
180.02980	0.4
180.05991	0.3
180.07442	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.1023
Annotation	1,6,6-Trimethyl-2,7-dioxabicyclo[3.2.2]nonan-3-one
Peak:m/z	Relative Intensity
57.03348	1.8
59.01261	1.6
65.01330	0.9
71.04931	0.5
71.58334	0.6
83.04887	0.4
84.36044	0.3
89.43199	0.3
93.97210	0.3
95.04957	0.4
111.08065	0.3
112.03944	0.5
112.98459	0.3
114.32520	0.3
115.02924	0.5
119.31174	0.3
123.04408	0.4
123.08074	0.6
124.01575	0.3
130.04114	0.6
139.11235	4.0
140.11549	0.5
141.01970	0.4
144.04323	0.4
155.03490	0.4
156.05615	1.5
157.05089	2.2
164.98283	0.4
165.09186	0.5
168.00600	0.4
183.10231	100.0
184.06261	0.8
184.10571	8.8
186.80444	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0557
Annotation	551-68-8
Peak:m/z	Relative Intensity
55.01773	1.5
57.03338	2.0
58.00481	6.4
59.01264	100.0
60.01600	1.9
62.43463	0.3
68.99715	0.4
69.03340	2.2
70.76847	1.0
71.01269	75.9
71.04899	1.0
72.01600	2.3
72.99196	7.6
73.02835	6.3
75.00763	27.3
76.01122	0.5
81.03353	1.8
83.01273	3.4
84.02092	0.4
85.02843	14.0
86.03196	0.5
87.00771	41.0
88.01121	1.0
89.02337	36.5
90.02689	0.9
95.01279	3.7
97.02853	3.4
98.19861	0.3
98.58011	0.3
99.00778	11.0
99.04427	1.1
100.01118	0.4
101.02341	11.3
102.02670	0.6
107.01263	0.5
111.00806	0.6
113.02356	9.3
115.03986	0.3
117.01847	7.3
119.03425	2.8
123.00802	0.3
125.02363	5.4
129.01866	1.2
131.03421	0.5
135.04416	0.6
138.63571	0.3
141.01865	3.1
143.03430	3.8
159.02957	1.6
161.04497	24.0
162.04826	1.4
177.03983	1.0
179.05571	42.7
180.05942	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	179.0343
Annotation	Caffeic acid
Peak:m/z	Relative Intensity
55.01768	0.4
57.03321	0.5
58.00474	0.9
58.02847	0.3
59.01265	13.3
60.01626	0.4
63.02280	0.7
65.00204	0.5
65.01328	0.2
65.99728	0.5
67.01745	0.3
67.02879	0.3
68.01312	0.3
68.99678	0.3
69.03333	0.8
71.01273	14.6
72.01609	0.3
72.99212	1.5
73.02837	1.5
75.00761	0.5
78.60558	0.2
79.01797	0.2
79.05392	0.2
81.03324	0.3
82.03998	0.6
83.01281	1.5
83.02402	0.5
84.04462	0.2
85.02850	3.5
87.00774	14.1
89.02342	7.6
89.02908	0.3
89.03831	0.3
91.01794	0.4
91.05411	0.4
93.00853	0.6
93.03374	0.5
94.02869	0.3
95.01272	0.9
95.04869	0.3
96.00776	0.4
97.02856	1.6
97.03956	0.4
98.02365	0.3
99.00787	3.5
101.02350	2.6
106.04121	0.5
106.86140	0.2
107.01305	1.4
107.04931	1.5
108.02095	0.7
109.02856	0.6
109.03994	0.5
110.03563	0.3
111.00813	0.3
111.01897	0.4
113.02362	1.7
117.01840	2.6
117.03393	0.6
118.04032	0.4
119.03438	0.7
121.02862	0.6
121.05141	0.3
122.03518	0.3
123.00816	0.3
123.04469	0.4
125.02354	2.2
128.93059	0.2
129.01868	0.6
134.03671	5.3
135.04453	100.0
136.01622	0.3
136.04788	7.2
137.02330	0.4
137.03513	0.4
137.04596	0.5
141.01897	1.1
142.14951	0.2
146.03699	1.7
150.13069	0.3
151.00308	1.3
151.04005	0.5
151.07605	0.4
152.04608	0.5
159.02969	0.9
161.04501	9.7
162.04813	0.4
164.01108	1.3
164.04765	1.4
169.01387	1.0
177.04099	0.4
178.99985	2.3
179.03481	21.0
179.05588	14.0
179.07068	1.5
180.03851	1.9
180.05927	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0347
Annotation	Caffeic acid
Peak:m/z	Relative Intensity
55.01756	0.3
57.03354	0.3
58.00480	0.3
59.01265	8.2
65.00201	0.3
69.03360	0.5
70.90125	0.5
70.90525	0.4
71.01270	7.3
73.02839	1.0
75.00780	0.3
79.05443	0.3
81.03358	0.4
83.01289	0.9
85.02857	1.9
87.00775	8.0
89.02338	3.7
89.03860	1.6
91.05439	1.5
93.03374	0.7
95.01294	0.3
95.04971	0.3
96.95923	1.0
97.02856	0.7
99.00780	2.1
101.02362	1.8
106.04165	1.3
107.01339	0.4
107.04936	4.4
108.02081	0.5
108.05268	0.3
109.02898	0.3
113.02370	1.2
115.85763	0.2
117.01824	1.6
117.03388	2.1
118.03702	0.3
121.02877	0.5
123.00755	0.2
125.02351	1.3
129.01918	0.3
133.02921	0.3
134.02156	0.3
134.03671	21.6
135.04454	100.0
136.04790	7.7
136.05844	0.3
137.02351	0.5
141.01892	0.8
151.00279	0.6
152.36736	0.2
154.86992	0.2
159.02922	0.3
161.04517	5.4
164.01083	0.6
166.48195	0.2
178.99883	0.8
179.03476	13.1
179.05582	6.6
179.07082	0.9
180.03809	0.9
180.06081	0.3
180.07909	0.3
181.39386	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0346
Annotation	Caffeic Acid
Peak:m/z	Relative Intensity
55.01755	0.4
57.03320	0.3
58.00469	0.5
59.01263	13.5
69.03328	0.5
69.25640	0.7
69.26051	2.8
71.01270	11.3
72.01611	0.5
72.99201	0.8
73.02828	1.1
75.00763	0.3
79.82111	0.3
82.99075	0.3
83.01248	0.8
84.85109	0.3
85.02847	2.3
87.00769	7.8
89.02333	4.3
91.05443	0.4
95.01287	0.6
95.04971	0.4
97.02883	0.8
99.00773	2.4
101.02340	2.0
106.04156	0.5
107.04942	1.8
108.02070	0.4
109.02835	0.6
110.03567	0.3
113.02355	0.9
117.01839	1.3
117.03391	0.6
117.15154	0.3
119.03403	0.4
121.02849	0.6
125.02357	1.0
134.03671	5.5
135.04446	100.0
136.01662	0.3
136.04784	6.9
137.03409	0.3
141.01826	0.6
142.98280	0.3
146.03671	0.6
151.07544	0.4
152.04568	0.6
159.02924	0.3
161.04492	4.4
164.01149	0.9
164.04744	0.5
178.99939	0.6
179.03465	16.9
179.05574	5.9
179.07050	0.8
180.03865	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0345
Annotation	Caffeic acid
Peak:m/z	Relative Intensity
51.42313	0.3
54.16516	0.3
55.01772	0.5
57.03339	6.0
58.00482	1.0
58.02879	0.3
59.01266	20.5
60.01603	0.4
60.21175	0.3
63.02283	0.5
65.01321	0.6
65.99718	0.7
66.03384	0.3
68.99715	0.3
69.03342	1.2
69.09255	0.2
71.01273	19.6
71.58069	0.4
71.58478	0.4
72.01623	0.3
72.99214	1.6
73.02827	1.5
73.27593	0.3
75.00770	1.2
81.03374	0.4
82.04008	0.4
82.28110	0.3
83.01286	1.4
83.02413	0.5
85.02837	4.0
87.00773	15.0
88.01105	0.3
89.02339	7.7
89.03878	0.3
93.00845	0.6
93.03372	1.1
94.02879	0.4
95.01291	0.8
95.02403	0.6
97.02847	1.3
98.02370	0.3
99.00785	3.8
99.82203	0.3
101.02357	2.9
106.04025	0.4
106.38322	0.3
107.01318	1.0
107.04941	2.3
108.02083	0.6
108.04474	0.5
109.02859	0.9
109.03993	0.9
110.02402	0.4
110.03490	0.5
111.01903	0.5
113.02335	2.0
117.01862	2.5
117.03402	0.5
118.04049	0.5
119.03477	0.9
119.04953	0.5
120.01940	0.4
121.02876	4.2
125.02382	1.7
134.03668	6.6
134.54309	0.3
135.04453	100.0
136.01587	0.5
136.03818	0.6
136.04787	6.9
137.02354	0.3
137.03510	0.5
137.04515	0.4
141.01897	1.2
146.03728	0.6
147.03062	0.3
151.00308	0.4
151.03955	0.7
151.07555	0.4
152.04582	0.8
159.02953	1.0
161.04515	8.3
164.01118	1.3
164.04732	0.5
169.01370	0.6
177.03941	0.4
179.00027	1.7
179.03474	20.9
179.05576	11.6
179.07092	2.8
180.03867	1.8
180.05920	0.6
194.47337	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0452
Annotation	2-Methyl-3-oxoadipate
Peak:m/z	Relative Intensity
51.86196	0.5
55.01765	3.3
57.03334	2.4
58.00468	1.6
59.01263	3.1
65.03846	2.5
66.93026	0.4
67.01772	3.2
69.03348	2.7
70.10148	2.3
71.01270	17.7
71.04906	2.0
72.99194	2.2
73.02837	48.2
74.03182	1.4
81.03351	6.1
83.01276	1.3
83.04918	19.8
84.05244	0.6
85.02841	8.9
85.06528	0.8
87.00799	0.9
93.03359	100.0
94.03695	5.6
95.01331	0.5
96.99194	0.7
99.00773	14.7
99.03894	0.3
99.04413	13.4
101.02335	1.9
109.02876	1.9
111.00795	6.1
111.04429	35.4
112.04746	1.7
112.98723	2.5
113.02338	1.4
115.00264	0.5
115.03996	0.6
124.98786	2.7
127.03883	0.4
129.01884	4.8
129.05505	0.8
133.38831	0.4
137.02379	24.5
138.02715	1.1
142.99788	6.4
143.03416	4.5
154.99863	0.6
155.03436	9.7
156.03772	0.7
173.00885	1.9
173.04527	13.6
174.04884	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	173.0452
Annotation	Shikimate
Peak:m/z	Relative Intensity
53.08024	0.3
55.01769	2.2
57.03338	2.2
58.00481	1.7
58.02863	0.6
59.01265	2.4
65.03855	2.9
67.01773	2.3
68.99722	0.5
69.03344	2.7
70.74185	0.9
70.74543	0.6
71.01272	14.2
71.04919	1.3
72.99180	2.3
73.02838	49.8
74.03168	1.0
80.57632	0.3
81.03352	6.5
82.03656	0.4
83.01299	1.5
83.04919	18.8
84.05279	0.9
85.02847	12.0
86.05987	0.3
87.00789	0.7
88.03932	1.1
88.06081	0.4
93.03362	100.0
94.03698	4.7
94.22040	0.3
96.02097	0.5
96.99227	0.4
97.02878	0.4
99.00784	14.6
99.04417	15.6
100.01127	0.4
100.04758	0.6
101.02351	1.7
101.05959	0.4
109.02850	1.9
111.00797	11.5
111.04433	37.2
112.01109	0.6
112.04786	1.3
112.98705	2.7
113.02394	0.8
115.00298	0.6
124.98748	2.1
128.07103	0.5
129.01862	6.2
129.05492	1.2
130.04970	0.3
137.02377	27.0
138.02692	1.0
142.99797	5.5
143.03415	4.4
143.96887	0.3
154.99770	0.6
155.03450	11.5
156.03807	0.7
173.00948	1.4
173.04515	17.1
174.04877	0.9
174.07742	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0764
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01791	4.7
57.03356	5.0
58.00475	4.6
59.01265	78.8
69.03339	6.1
70.50042	2.7
71.01270	100.0
72.01607	3.2
72.99189	6.7
73.02837	30.4
73.07114	0.9
74.03163	1.3
75.00755	5.9
81.03338	3.1
83.01289	7.3
83.04914	7.0
85.02843	38.9
86.03209	1.3
87.00766	7.3
87.04391	4.9
89.02338	55.0
90.02715	1.5
91.03925	1.2
92.99709	1.5
93.03333	8.1
94.02916	1.1
94.03724	0.9
97.02859	2.5
99.04452	2.4
101.02349	37.1
102.02695	1.4
103.03914	12.5
105.01848	3.3
108.02047	1.2
109.02872	3.2
111.04429	3.9
115.03220	0.9
115.03928	7.1
119.03401	4.1
119.04923	1.2
121.02874	13.5
122.03680	0.9
123.00822	1.3
127.03930	2.5
133.04898	1.2
137.02361	5.1
141.68826	1.0
147.04506	2.1
147.06555	9.0
150.03130	5.2
151.00363	1.2
163.05981	1.3
165.01846	4.9
165.04036	3.5
165.05513	3.0
165.07639	35.8
165.09033	2.1
166.05017	2.3
166.08020	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	167.1073
Annotation	Chrysanthemic acid
Peak:m/z	Relative Intensity
68.28339	0.4
69.82284	1.2
69.82700	1.3
95.01282	0.6
108.02078	2.7
123.04401	2.3
123.96292	0.4
139.80991	0.4
152.01102	6.5
153.01501	0.4
156.68971	0.4
167.03467	4.7
167.10732	100.0
168.11072	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	173.0088
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95863	0.2
55.01773	2.9
56.87462	0.2
57.03338	2.5
58.00480	2.0
58.02851	0.3
59.01268	2.2
60.99192	0.4
64.82642	0.2
65.03850	2.7
65.27637	0.3
67.01778	2.5
68.48739	0.3
68.99716	0.5
69.03351	3.0
71.01273	13.3
71.04916	1.3
71.56057	0.3
72.99205	2.5
73.02838	48.5
74.03176	1.0
81.03350	5.3
83.01290	1.4
83.04919	18.6
84.05245	0.8
85.02846	11.7
86.03201	0.5
87.00781	0.8
88.03959	0.5
93.03362	100.0
94.03696	4.9
95.01271	0.4
97.02887	0.3
99.00785	13.6
99.04420	13.4
100.01134	0.4
100.04737	0.5
101.02351	1.4
101.05985	0.4
109.02849	1.9
111.00797	8.6
111.04432	36.4
111.22826	0.2
112.04755	1.7
112.98719	2.2
113.02375	1.0
115.00324	0.6
124.98788	1.2
124.99556	0.2
125.02322	0.2
127.03960	0.4
129.01878	5.4
129.05504	1.2
130.02220	0.2
137.02379	26.1
138.02750	1.2
142.99806	3.8
143.03435	5.1
154.99892	0.3
155.03452	10.8
156.03798	0.8
170.69347	0.2
173.00995	1.5
173.04523	18.5
174.04866	1.0
176.82228	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0399
Annotation	D-Ribonate
Peak:m/z	Relative Intensity
52.26092	0.5
53.17319	0.5
55.01764	3.2
57.03336	3.9
58.00468	2.3
59.01264	39.0
59.80787	0.5
60.01602	0.7
63.48862	0.5
68.99680	0.5
69.03341	1.8
69.84075	2.8
71.01270	38.6
72.01608	0.6
72.99200	9.3
73.02834	12.4
75.00761	100.0
76.01096	2.2
80.39617	0.5
81.03360	1.3
83.01275	2.4
83.04916	2.0
85.02840	17.0
87.00771	90.5
87.04402	1.7
88.01103	2.4
89.02339	26.9
90.02663	0.8
91.70901	0.5
92.99734	1.0
93.03345	3.8
97.02881	0.7
99.00777	11.8
99.04422	0.7
101.02345	21.1
102.02698	1.0
103.03914	4.3
105.01839	70.8
106.02182	2.0
109.02872	0.6
111.00714	0.6
111.04407	1.6
115.03907	2.1
115.59332	0.5
117.01855	3.8
119.03416	3.3
121.02870	4.2
127.03883	0.7
129.01857	14.3
135.02954	0.9
137.02347	1.1
138.05537	0.6
147.02917	12.6
147.06577	3.3
150.03146	1.7
165.03995	95.2
165.07639	14.9
166.04326	5.0
166.07899	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0765
Annotation	L-Fucitol
Peak:m/z	Relative Intensity
50.31773	0.9
51.98542	1.0
52.15622	0.9
55.01777	6.3
55.02000	1.1
57.03337	6.0
58.00481	3.3
59.01266	91.8
60.01605	1.6
65.52083	1.0
69.03339	7.3
69.42622	9.3
71.01271	100.0
72.01608	3.0
72.19073	1.1
72.99199	10.0
73.02835	33.5
74.03183	1.0
75.00765	66.4
76.01105	1.3
81.03344	4.2
83.01288	6.4
83.04930	5.3
85.02842	38.4
86.03172	1.3
87.00772	68.7
87.04420	5.8
88.01129	1.4
89.02342	56.9
91.03936	1.5
92.99688	1.1
93.03359	4.2
99.00783	8.2
99.04449	2.3
101.02349	38.5
102.02740	1.0
103.03927	12.6
105.01844	55.4
106.02187	1.6
109.02867	2.2
111.04446	3.6
114.25414	1.0
115.03937	5.5
117.01871	1.7
119.03414	4.6
121.02865	15.8
127.03907	2.2
129.01854	8.0
135.02959	2.1
137.02403	3.1
142.08014	1.2
145.04988	1.2
147.02950	11.4
147.06578	8.8
150.03194	1.5
163.06039	1.0
165.04004	80.7
165.07639	37.8
165.09056	1.6
166.04358	4.3
166.07977	1.4
175.29724	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0189
Annotation	4-Formylsalicylic acid
Peak:m/z	Relative Intensity
55.01772	1.3
57.03332	1.8
58.00483	1.2
59.01265	21.2
65.01347	1.0
65.99746	1.0
66.03378	0.6
69.03342	2.2
69.59564	4.6
71.01273	31.4
72.01615	0.6
72.99191	1.9
73.02840	7.8
75.00744	0.8
77.03853	2.4
81.03345	1.7
83.01276	1.7
83.02407	0.6
83.04917	1.8
85.02846	12.4
87.00777	2.8
87.04424	1.6
89.02339	19.1
91.03871	0.9
92.99717	0.9
93.03365	4.9
95.01289	0.8
96.08967	0.6
97.02891	0.7
97.03998	0.7
99.04404	0.7
101.02348	12.2
103.03916	3.0
106.77135	0.5
107.04924	0.8
108.02132	0.9
109.02855	3.2
109.04017	0.7
109.29622	0.5
111.04461	0.9
115.03925	1.6
119.03448	1.0
119.04959	1.7
121.02875	100.0
122.03156	6.1
123.00786	2.0
123.04440	1.1
135.04453	0.8
137.02385	7.1
138.01901	0.8
138.03011	1.0
147.04543	2.8
147.06526	2.7
149.00916	0.9
150.03185	4.8
151.00316	2.0
165.01903	13.8
165.03358	0.6
165.04056	1.5
165.05495	3.6
165.07649	12.0
165.09135	1.6
166.02533	0.9
166.05055	1.5
166.06255	0.6
166.08052	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0759
Annotation	Isoeugenol
Peak:m/z	Relative Intensity
59.01265	1.0
65.01353	0.5
66.00842	0.2
66.40212	0.2
67.02889	0.2
71.13282	0.2
71.13601	0.5
71.40929	0.2
76.00400	0.2
82.04004	0.9
85.02781	0.2
91.01790	0.4
93.03339	0.4
99.33654	0.2
100.10732	0.2
105.03275	0.2
112.99799	0.2
119.01260	0.3
119.04943	8.0
120.05309	0.5
121.02882	1.9
121.03886	0.4
121.05133	2.8
122.03595	0.4
135.04446	2.3
136.05040	0.5
137.03476	0.2
147.04474	3.0
148.05244	100.0
149.05583	8.8
163.00323	1.4
163.03940	2.0
163.06250	0.4
163.07578	6.1
164.04709	0.5
164.07973	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	164.0474
Annotation	N-Methyl-N,4-dinitrosoaniline
Peak:m/z	Relative Intensity
50.00251	0.6
55.01777	0.6
57.03322	0.8
59.01263	11.3
65.00218	1.2
65.01321	2.8
65.99726	4.1
66.00858	0.8
67.02898	0.9
68.01299	1.6
68.99716	1.0
69.03333	1.0
69.85137	0.9
69.85551	2.7
71.01272	13.6
72.99202	1.5
73.02839	4.8
75.00764	0.8
77.03858	0.9
81.03355	0.9
81.04484	0.8
82.02896	0.8
82.03980	3.1
83.02378	1.4
83.04900	0.7
85.02840	5.3
87.00767	2.0
87.04411	0.7
88.00909	0.6
89.02350	7.8
92.04973	1.0
92.99712	1.6
93.03352	5.3
94.02895	1.6
94.99574	0.6
95.01283	0.8
95.02419	2.1
95.04925	0.6
96.00841	0.8
97.03986	0.9
101.02351	5.5
103.03913	1.3
105.01839	1.1
106.03995	0.8
107.02452	0.8
107.04929	6.1
108.02014	0.8
109.02859	3.8
109.03963	1.4
110.02415	0.7
115.03929	0.8
116.92933	0.5
117.03374	1.6
119.02457	0.7
119.04939	4.6
120.01905	0.9
120.04453	1.5
120.05296	6.5
121.02876	25.2
121.03958	1.6
121.05145	0.9
122.03515	4.4
122.05490	1.4
123.01963	1.2
129.20906	0.7
134.03491	1.4
135.04495	3.5
136.04955	1.8
137.02379	23.1
137.03484	5.4
138.03029	2.4
145.02884	3.2
146.03455	0.9
147.04465	2.7
147.06575	1.5
147.08199	0.9
149.00909	1.0
150.03136	4.2
163.03958	15.2
164.04729	100.0
164.89592	0.9
165.01936	6.4
165.04018	1.1
165.05161	9.1
165.07649	7.2
165.09177	4.5
183.50719	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	164.0712
Annotation	phenylalanine
Peak:m/z	Relative Intensity
51.30193	0.3
52.00825	0.3
59.01265	4.9
65.01335	1.0
65.99739	1.6
66.00857	0.5
68.01307	0.8
71.01273	6.0
72.00797	41.0
72.99203	0.8
73.01137	0.5
73.02836	1.7
75.00768	1.0
77.03869	0.3
82.02875	0.5
82.03986	0.4
83.01311	0.3
83.02395	0.6
85.02858	2.0
87.00755	0.8
87.04427	0.4
89.02338	3.6
91.02896	0.3
91.05441	1.6
92.02467	0.5
92.04967	0.7
92.99701	0.4
93.03346	1.7
95.02422	1.1
96.00772	0.3
97.03961	0.3
101.02349	2.5
103.03904	0.6
103.05440	0.6
104.06790	0.3
106.04012	0.5
107.02435	0.6
107.04899	0.3
109.02859	1.1
109.03964	0.6
115.03924	0.5
118.06548	0.5
119.03486	0.4
119.04946	2.4
120.04463	1.0
120.05286	3.3
121.02077	0.6
121.02873	7.8
121.03873	0.7
122.02435	0.5
122.03546	2.2
123.01933	0.6
123.03054	0.4
123.04489	0.4
134.03568	0.7
135.04443	0.6
137.02371	2.5
137.03502	1.9
146.03459	0.4
146.06027	0.7
147.04457	100.0
148.04802	7.5
149.02371	0.4
150.03168	1.1
164.00906	0.6
164.03419	0.8
164.04634	1.9
164.07121	53.4
165.01895	2.5
165.04100	0.7
165.05496	1.1
165.07556	7.9
165.09023	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0396
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
59.01259	0.1
69.68018	0.6
89.25921	0.1
90.26221	0.1
91.05428	0.2
93.03355	0.9
119.04943	100.0
120.05272	6.4
137.56322	0.2
163.00455	0.3
163.03955	9.5
164.04276	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0395
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
69.40691	0.1
71.32201	0.1
71.32563	0.2
91.05447	0.2
93.03369	0.7
99.81666	0.1
109.26895	0.1
115.44225	0.1
119.04948	100.0
120.05280	6.9
163.00316	0.3
163.03964	8.3
164.04268	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0396
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01274	1.9
71.35256	0.5
73.02837	0.3
77.84817	0.2
81.53421	0.3
85.02836	0.3
91.01778	0.4
93.03352	1.5
119.04943	100.0
120.04487	0.3
120.05270	7.5
121.05125	1.1
135.00789	0.5
135.04466	0.6
162.89311	0.7
163.00331	2.9
163.03955	10.5
163.06133	0.7
163.07523	0.5
164.04420	0.7
173.95128	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0396
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33100	0.1
57.03336	0.2
59.01267	1.8
65.01329	1.1
65.99742	1.3
66.00858	0.4
66.03380	0.1
67.02910	0.5
68.01296	0.3
68.99706	0.2
69.26016	0.8
69.26442	0.6
71.01270	0.5
71.67705	0.1
72.99215	0.2
73.02809	0.2
77.01370	0.2
77.27554	0.1
79.02911	0.2
79.09295	0.1
80.01333	0.1
81.04462	0.4
82.02885	0.2
82.04002	1.5
83.02406	0.5
85.02841	0.3
91.01794	0.8
91.02898	0.3
91.05404	0.2
92.02456	0.3
92.04974	0.2
92.64263	0.1
93.00845	0.3
93.03355	1.7
94.02882	0.3
94.04079	0.2
95.02424	0.5
97.03997	0.3
101.02341	0.3
103.07816	0.1
106.04029	0.4
107.02421	0.4
109.03970	0.4
110.02454	0.1
113.96901	0.1
117.03387	0.1
118.04053	0.1
119.04944	100.0
120.01968	0.2
120.04452	0.3
120.05264	6.3
121.02854	0.3
121.04015	1.2
121.05116	5.1
122.02444	0.2
122.03523	0.8
122.05462	0.2
123.01925	0.2
134.03542	0.4
135.00812	0.8
135.01775	0.2
135.04483	0.8
136.01443	0.3
136.04089	0.3
136.05092	1.6
137.03485	1.0
146.03525	0.4
147.04474	0.1
162.89270	0.4
163.00311	2.3
163.03952	9.4
163.06021	1.5
163.07423	0.3
164.00847	0.2
164.03453	0.2
164.04529	1.6
164.06950	0.2
164.08298	0.2
172.22438	0.1
179.61301	0.1
182.02870	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	157.0137
Annotation	2-Hydroxymuconate
Peak:m/z	Relative Intensity
51.43964	0.6
55.01780	1.7
57.03337	9.8
57.03601	0.7
58.02883	0.5
59.01260	4.8
67.01779	4.2
68.01343	0.5
68.99707	6.7
69.03345	4.3
69.93452	2.0
69.93872	0.7
70.66294	0.5
71.01270	14.2
72.99204	3.3
73.02832	4.6
79.73182	0.5
83.01276	7.4
85.02846	20.8
86.02370	0.9
86.03216	1.2
87.00768	10.0
95.01283	7.8
95.04948	0.9
96.99221	2.5
99.00774	5.1
99.01257	0.5
100.98727	2.0
101.02369	2.7
105.74922	0.6
111.00792	44.1
112.01147	2.0
112.98724	5.2
113.02366	7.2
113.05994	1.3
113.09659	0.8
115.00282	4.7
118.37767	0.5
122.09695	0.5
123.49607	0.5
124.98711	0.6
127.00297	7.5
129.01862	2.2
139.00310	100.0
139.07643	0.7
140.00642	5.1
156.00537	0.5
156.90251	0.7
156.97787	0.8
157.01372	25.2
157.05048	0.9
157.08618	2.9
157.12302	1.9
158.01883	1.2
179.59166	0.5
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
55.01771	0.8
56.01289	0.4
57.03338	6.7
58.02860	1.5
59.01267	3.3
63.63857	0.4
68.99706	1.4
69.03335	1.1
69.91087	2.4
71.01268	4.2
71.04864	0.4
72.99203	1.1
73.02828	2.8
75.00765	1.0
75.05492	0.4
79.98206	0.4
82.02881	1.4
83.01279	1.7
84.04445	7.6
85.02856	4.9
86.06009	82.9
87.00777	1.7
87.04443	0.5
87.06335	2.9
97.02855	4.5
97.06489	0.5
98.05990	0.5
99.00788	5.2
100.04000	0.6
101.02358	2.2
111.00815	1.9
112.03962	100.0
113.02369	1.4
113.04300	4.3
114.05528	20.7
115.03937	3.2
115.05900	1.0
116.07072	0.7
126.01949	0.6
128.54849	0.4
129.01866	2.3
130.05029	0.4
131.03558	0.4
141.01874	1.2
158.04550	26.2
158.08124	3.0
159.02968	9.6
159.04793	1.0
159.06606	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0233
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31267	2.1
54.75641	1.9
55.01765	3.9
57.03343	16.7
58.00463	5.7
59.01265	71.7
59.63999	1.8
69.03341	5.2
70.01431	9.0
70.01804	3.9
70.46278	1.9
71.00898	3.3
71.01272	56.0
72.99213	10.3
73.02837	38.1
74.27927	2.0
75.00774	4.6
81.03357	15.2
81.24802	2.0
83.01279	23.7
85.02844	100.0
86.03190	2.9
87.00773	11.6
89.02342	22.4
95.01286	3.4
97.02837	7.6
99.00777	3.7
99.04416	4.8
101.02356	12.8
113.02353	9.6
125.02355	6.4
131.03436	44.5
132.02084	4.4
133.02888	39.2
149.21863	1.9
161.02415	42.6
161.04495	45.8
162.01768	3.2
162.02914	3.0
162.21252	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	150.0318
Annotation	4-Methoxybenzoate
Peak:m/z	Relative Intensity
52.11826	0.9
52.17446	0.8
55.01764	2.2
59.01265	16.0
63.02281	2.8
65.01328	8.6
65.99738	11.0
66.00851	1.6
66.03379	1.0
66.92181	0.9
67.01770	2.3
67.02900	6.0
68.01309	2.9
68.99728	1.7
69.03350	1.3
71.01270	35.9
71.59613	1.6
72.01617	1.8
72.99210	1.5
73.02831	11.1
78.03375	1.3
79.01777	2.6
79.02893	2.0
81.03360	1.9
81.04490	1.3
82.02884	2.0
83.01290	1.8
83.02406	2.0
85.02852	3.4
87.00780	1.7
89.02336	20.1
90.02678	6.1
91.02885	1.7
91.03938	1.2
91.51733	1.0
92.02422	1.3
93.03363	4.4
94.02901	1.5
95.01273	6.3
95.02413	1.6
95.04911	2.9
96.00826	1.0
97.02837	1.5
101.02343	21.6
101.96494	1.0
104.29692	0.9
106.04037	1.0
107.01298	1.7
107.02458	1.9
107.04933	15.7
108.02048	11.4
108.04425	1.0
108.05588	1.9
109.00352	2.0
109.02866	2.8
109.03976	5.0
110.02392	1.0
115.03942	1.1
117.01869	4.5
117.02594	1.1
119.03467	1.3
120.01938	3.0
121.02876	11.8
122.02455	1.2
122.03590	9.4
123.00809	9.8
123.01924	11.7
123.02770	1.3
123.04438	39.3
124.01564	1.3
124.03947	1.2
131.03395	1.3
132.03781	1.7
133.02940	1.7
133.05006	3.3
136.01591	100.0
137.02399	2.8
139.03978	1.3
145.59439	1.0
145.95296	0.9
149.02414	4.5
150.00154	3.3
150.03151	78.0
150.04791	4.2
150.06572	3.1
151.00345	4.6
151.03964	66.9
151.06064	16.3
151.07410	2.0
154.02657	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	153.128
Annotation	1,8-Cineole
Peak:m/z	Relative Intensity
50.40452	0.4
58.02596	0.5
58.02860	0.7
59.01265	1.0
60.99197	10.5
65.00203	0.6
65.03839	0.6
65.99713	0.7
66.03361	0.9
66.10474	0.5
67.01783	0.7
67.02905	0.6
67.43535	0.5
68.01306	0.6
68.99695	0.7
69.03345	1.3
70.70949	1.5
72.04446	0.5
72.99194	0.8
73.04757	0.7
81.03356	4.4
81.51720	0.5
82.02883	2.2
82.03989	0.9
83.01292	1.3
85.03955	0.9
91.01827	0.5
95.02404	0.7
96.04454	0.4
97.02832	1.0
103.45527	0.5
108.02080	6.8
109.02863	100.0
110.00005	8.1
110.02393	1.3
110.03202	6.2
111.01917	1.3
111.05570	0.8
112.03943	0.8
112.05101	1.0
122.03661	0.8
123.00798	1.0
123.04448	11.8
123.08076	3.5
124.01534	0.8
124.03955	2.8
124.04786	0.9
124.98716	0.6
125.02377	6.3
125.15488	0.5
127.05096	0.8
135.04483	0.7
136.03902	0.6
137.99527	16.4
138.99837	1.1
151.00317	1.5
151.11227	37.0
152.11562	3.5
153.01878	35.9
153.05507	3.9
153.12791	96.7
153.86690	1.0
154.02234	2.2
154.05048	2.1
154.13124	11.2
168.79256	0.5
171.13866	24.2
172.14215	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	154.9981
Annotation	2,5-Furandicarboxylate
Peak:m/z	Relative Intensity
55.01773	90.6
56.02115	2.1
57.03349	2.3
59.01257	5.1
65.00223	2.1
65.03838	3.2
66.86849	1.6
67.01773	5.7
68.02435	3.6
68.99663	1.6
70.02879	3.8
71.01265	15.0
71.04576	3.0
81.03350	6.4
83.01281	53.0
83.04930	16.8
84.01588	2.2
84.04441	2.6
85.52672	1.4
93.03364	100.0
93.10754	1.6
94.03694	5.8
95.01298	4.6
96.99236	2.6
98.05351	1.6
99.00806	4.8
109.03999	4.0
111.00811	7.4
111.01917	3.2
111.04425	26.8
112.01600	3.5
112.04001	1.8
114.05521	72.9
123.00800	4.1
124.39319	1.7
127.00310	24.8
137.02393	10.0
140.01106	15.1
141.01442	1.6
153.65817	1.6
154.99826	79.9
155.03442	10.9
155.04570	2.4
155.06990	1.9
156.00154	5.2
156.06609	9.7
158.97227	1.6
166.25284	1.7
168.10078	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	149.0602
Annotation	hydrocinnamic acid
Peak:m/z	Relative Intensity
65.14480	0.6
67.67016	0.7
69.64234	4.0
69.64650	1.3
69.65061	0.7
70.33358	0.7
96.67069	0.6
96.96450	0.6
98.19836	1.3
100.03022	0.7
103.05550	0.6
108.02092	0.9
111.38531	0.6
116.49823	0.7
121.02879	0.8
122.03667	3.7
136.35156	0.6
145.33151	0.6
147.04454	3.5
148.05257	8.0
149.06023	100.0
150.06364	9.9
150.71849	0.8
166.71886	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0603
Annotation	hydrocinnamic acid
Peak:m/z	Relative Intensity
59.01277	0.9
65.00217	0.4
65.99741	0.3
67.02892	0.3
70.98576	0.4
71.01269	2.1
73.02834	1.3
73.15468	0.2
75.00739	0.3
77.94168	0.2
79.02926	0.2
87.00771	0.7
89.02335	6.9
93.03352	1.4
94.99194	0.3
95.01283	0.4
95.04926	0.4
103.03939	0.3
103.05428	0.3
103.47971	0.2
105.06952	0.2
106.04011	0.9
108.02075	2.3
109.02460	0.2
109.03963	0.3
117.85561	0.2
119.04950	0.5
121.02881	3.6
121.06526	0.5
122.03661	4.3
123.04482	0.4
124.01556	0.7
129.03410	0.4
130.04132	0.7
131.03419	0.8
131.04964	0.9
134.03679	0.6
137.02365	0.7
139.03847	0.3
147.03305	0.3
147.04462	4.6
148.05246	10.4
149.02518	2.8
149.06018	100.0
150.00124	0.5
150.02998	0.5
150.06366	9.5
154.02678	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0599
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01261	0.8
64.92305	0.8
65.01321	0.6
65.99729	1.1
71.01263	2.4
73.02846	1.3
77.27177	0.6
89.02335	7.4
91.92500	0.7
93.03365	1.9
95.01277	0.9
97.22648	0.6
97.97999	0.7
98.20569	1.1
106.04078	1.3
108.02073	2.2
119.04980	0.8
121.02879	4.8
121.06609	0.6
122.03619	4.9
131.03484	0.8
131.04973	1.2
134.03667	1.0
139.18268	0.7
147.04477	4.6
148.05255	10.7
149.02472	4.2
149.04646	3.3
149.06017	100.0
150.03052	1.0
150.06354	9.7
153.70860	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0602
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01271	1.0
64.01797	0.3
65.00207	0.3
65.01338	0.9
65.99740	1.2
67.02894	0.8
69.03350	0.3
71.01271	2.8
72.64172	0.2
73.02840	1.2
77.03867	0.4
79.02901	0.2
81.03370	0.2
81.04473	0.4
83.02411	0.4
87.00772	0.8
89.02342	8.5
90.02682	0.2
91.02924	0.3
93.03367	1.5
95.01292	0.2
95.02428	0.3
95.04938	0.2
98.20528	0.5
101.02280	0.2
103.03925	0.4
103.05437	0.3
105.04539	0.2
106.04037	1.5
107.02428	0.4
107.03555	0.2
107.04949	0.4
107.06118	0.2
108.02080	2.3
108.05577	0.4
109.03999	0.6
110.72242	0.2
113.23717	0.2
119.04928	0.4
120.01962	0.3
120.05610	0.2
121.02871	4.1
121.03775	0.2
121.06494	0.3
122.02393	0.4
122.03665	4.6
123.01925	0.5
123.03921	0.2
123.04465	0.2
124.01632	0.5
129.03410	0.4
130.04179	0.5
131.03453	1.3
131.04964	1.1
132.05566	0.3
134.03668	0.7
134.52850	0.2
137.02341	0.8
139.03970	0.4
147.04471	4.6
148.05254	9.0
149.02530	2.9
149.04654	3.4
149.06020	100.0
150.00150	0.4
150.03004	0.8
150.06364	9.3
154.02646	0.6
162.30005	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0602
Annotation	Unknow
Peak:m/z	Relative Intensity
58.88414	0.6
65.99745	1.1
70.00344	1.2
70.00755	2.3
71.01287	1.2
73.02861	1.0
74.60294	0.6
89.02303	3.0
93.03352	1.4
93.56939	0.6
98.20602	0.8
103.10450	0.6
106.04021	1.1
108.02074	1.5
121.02888	2.2
122.03664	3.9
131.05003	0.8
147.04462	3.8
148.05264	7.7
149.06027	100.0
150.02960	0.6
150.06364	9.1
162.45474	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.06
Annotation	p-Hydroxypropiophenone
Peak:m/z	Relative Intensity
59.01265	2.5
64.01800	0.4
65.00193	0.4
65.01334	3.9
65.99734	4.0
67.02896	2.3
68.01291	0.8
69.03343	0.5
70.95431	0.3
71.01267	8.6
73.02832	3.6
75.00771	0.9
77.03852	1.2
78.03374	0.4
79.02921	0.5
80.02558	0.4
81.03351	0.4
81.04477	1.7
82.02885	0.8
83.02385	1.5
85.02830	0.5
87.00777	3.1
89.02336	24.8
89.69675	0.3
90.02670	1.0
91.02898	0.7
92.02471	0.8
93.03342	2.9
94.02864	0.4
95.01284	1.3
95.02399	1.0
95.04942	1.1
96.00745	0.3
98.19848	0.8
101.02350	0.4
103.03901	1.3
105.04496	0.6
105.40342	0.3
106.04015	4.1
107.02412	1.4
107.03552	0.7
107.04303	0.4
108.02042	3.3
108.04574	0.3
108.05568	1.4
109.03986	1.5
119.04935	0.5
120.01949	1.4
120.05575	0.7
121.02880	13.9
121.03809	0.8
121.05131	0.8
122.02399	1.1
122.03577	5.2
123.01951	2.8
123.05567	0.6
130.04169	0.6
131.03439	2.9
131.04918	0.8
132.05647	0.5
134.03682	1.6
137.02367	0.9
139.03908	0.6
147.04449	4.1
148.05255	9.9
149.02454	10.0
149.04568	13.7
149.06013	100.0
150.00160	0.8
150.03055	4.5
150.06403	9.5
151.36739	0.4
154.02660	0.9
164.57309	0.4
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	hydrocinnamic acid
Peak:m/z	Relative Intensity
51.13942	0.3
59.01257	0.7
65.01334	0.7
65.99729	0.9
67.02869	0.5
69.74952	1.8
71.01274	2.0
73.02845	0.8
74.88168	0.3
77.03872	0.4
81.04471	0.3
87.00774	0.6
89.02337	5.5
89.02895	0.3
93.03355	0.9
98.20524	0.6
106.04059	1.0
107.02413	0.5
107.04924	0.3
107.63660	0.3
108.02062	2.1
108.05580	0.3
115.07389	0.3
119.04915	0.6
121.02879	2.9
122.03665	4.0
123.01922	0.4
123.04482	0.6
124.01578	0.6
129.03410	0.5
130.04172	0.8
131.03442	0.4
131.04964	0.9
134.03673	1.0
137.02365	0.4
144.78560	0.4
147.04446	4.0
148.05240	9.3
149.02490	2.2
149.06020	100.0
150.03098	1.0
150.06358	9.2
154.02625	0.6
166.04686	0.3
168.60771	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.045
Annotation	L-xylose
Peak:m/z	Relative Intensity
59.01267	5.9
69.03319	1.3
71.01271	27.6
71.27719	1.2
72.01614	0.9
72.99216	1.0
73.02444	1.1
73.02838	17.0
75.00770	3.1
77.97411	0.5
85.02874	0.7
87.00774	11.0
89.02341	100.0
90.02670	3.2
101.02332	1.5
103.03915	5.8
104.42723	0.5
120.74114	0.5
131.03436	13.7
132.03735	0.5
137.42249	0.5
149.04512	52.7
150.04884	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	149.0602
Annotation	p-Hydroxypropiophenone
Peak:m/z	Relative Intensity
55.09406	0.3
59.01276	1.7
60.26543	0.3
64.01829	0.3
64.54980	0.3
65.01342	2.3
65.99734	2.1
67.02892	1.1
70.89952	0.3
70.90282	0.8
71.01269	6.4
73.02839	2.2
77.03869	0.6
79.02890	0.6
81.04469	0.7
83.02406	0.5
85.96856	0.3
87.00793	1.6
89.02343	15.5
89.70956	0.3
90.02698	0.4
90.54580	0.3
91.02964	0.4
92.02418	0.5
93.03356	2.0
95.01279	0.6
95.04934	0.6
95.61987	0.4
98.48363	0.3
103.03894	0.9
103.05421	0.6
105.03336	0.3
106.04070	2.0
107.02418	1.0
108.02055	2.6
108.05567	0.9
109.03979	0.7
119.02505	0.5
120.01942	0.8
120.05583	0.3
121.02872	7.9
121.05074	0.4
121.06498	0.5
122.02380	0.4
122.03673	5.1
123.01109	0.3
123.01920	2.0
123.04490	0.4
124.01526	0.5
126.41483	0.3
129.05154	0.3
130.04178	0.9
131.03452	1.9
131.04964	1.4
132.05562	0.3
134.03632	0.5
137.02348	0.6
147.04460	5.0
148.05246	9.0
149.02490	5.3
149.04604	6.8
149.06021	100.0
150.00201	0.5
150.01894	0.5
150.03058	2.9
150.06383	9.8
154.02681	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	148.0525
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23458	0.8
54.23097	0.8
55.62487	0.8
59.01259	1.6
65.01333	3.1
65.99734	1.2
68.99696	1.5
69.91083	2.2
69.91501	3.3
71.01277	5.6
73.02847	3.1
76.04845	0.9
79.02930	1.5
87.00793	2.6
89.02343	17.6
91.05439	2.4
93.03358	3.1
95.04949	1.9
95.31695	0.8
98.20533	1.7
103.03931	1.7
103.05405	1.0
105.03355	2.5
105.04488	1.1
106.04044	4.1
119.04950	3.7
121.02876	27.0
121.03835	1.4
122.03368	1.0
131.03447	2.8
147.04463	20.9
148.05241	100.0
149.02441	8.1
149.03503	1.8
149.04512	6.7
149.05826	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	149.0451
Annotation	D-ribulose
Peak:m/z	Relative Intensity
59.01263	8.3
60.77849	1.2
61.02759	1.3
69.79965	8.0
71.01274	30.6
73.02837	15.3
73.77206	1.1
75.00771	3.6
87.00778	9.3
89.02339	100.0
90.02673	3.2
103.03917	5.8
121.02874	10.4
125.60186	1.5
131.03412	11.3
149.02373	5.0
149.04500	47.1
149.05923	2.5
149.06161	2.5
150.02823	1.3
150.04872	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	149.045
Annotation	L-xylose
Peak:m/z	Relative Intensity
59.01254	4.8
69.03342	2.3
71.01272	25.4
71.15183	2.3
73.02837	15.4
73.37717	1.1
75.00772	3.9
87.00775	9.7
89.02340	100.0
90.02675	2.1
103.03939	6.2
109.99854	1.1
121.02930	1.2
131.03436	14.5
142.90948	1.0
149.04501	56.5
150.04828	3.7
151.89865	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.0275
Annotation	Unknow
Peak:m/z	Relative Intensity
58.07588	9.1
67.65686	8.5
71.58913	12.5
98.17526	7.6
101.97869	6.6
117.03370	100.0
145.02899	69.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.0289
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
70.72578	1.1
89.03879	1.4
117.03380	100.0
118.02883	0.5
118.03714	8.0
145.02892	60.5
146.02368	1.9
146.03351	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	147.0294
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93827	4.2
59.01271	37.5
59.31628	3.7
65.01315	5.7
70.02853	4.9
71.01272	100.0
71.19111	6.9
71.19454	5.0
72.99191	10.4
75.00755	14.1
85.02837	5.7
96.61521	5.2
98.78037	4.5
99.00776	30.7
120.01945	4.8
120.04465	5.7
147.01920	12.4
147.02988	10.1
147.04436	29.6
147.05424	5.0
147.06609	7.1
148.05086	14.9
164.77791	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	147.0446
Annotation	4-Hydroxycinnamyl aldehyde
Peak:m/z	Relative Intensity
52.55425	1.8
54.12778	1.8
57.03324	2.2
58.09398	2.0
59.01252	5.2
61.98718	16.8
65.03864	3.3
68.99703	22.4
69.67899	12.4
71.01282	16.3
71.96502	1.9
72.02010	1.9
75.00778	2.1
77.03866	3.8
79.05415	23.0
79.47698	2.1
85.02864	1.9
86.72034	1.7
91.05432	88.6
92.05769	7.2
93.03374	4.5
95.04925	66.2
95.05521	3.6
96.05273	4.5
98.19806	3.7
99.00785	8.8
101.03874	6.9
102.04687	3.5
102.26153	1.8
103.05451	27.5
105.03365	90.9
106.03732	6.5
119.04944	72.6
120.05307	6.0
121.02893	6.2
125.32095	2.2
129.03377	12.0
130.04105	3.5
143.71671	1.8
145.02847	2.4
146.03690	8.6
147.04459	100.0
148.04840	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	145.0136
Annotation	5-Hydroxy-2,4-dioxopentanoate
Peak:m/z	Relative Intensity
57.03334	15.4
57.61773	11.9
59.01268	27.5
61.65781	10.5
62.38397	11.5
70.09162	53.8
70.09502	12.1
71.01275	96.9
72.42468	11.7
72.99220	19.5
73.02822	20.6
83.01279	20.0
83.04886	17.1
87.00764	54.0
99.00771	13.9
101.02352	100.0
101.05973	28.6
102.05482	27.0
115.00333	56.4
118.02886	23.9
127.00279	27.4
145.01358	53.2
145.02718	12.1
145.04976	27.0
146.02415	88.6
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	Unknow
Peak:m/z	Relative Intensity
55.01797	7.1
57.03336	23.2
59.01255	9.1
69.89400	29.7
71.01279	28.5
72.99202	8.6
73.02835	11.2
73.76481	5.1
74.02386	7.4
83.01303	14.3
83.04887	5.7
87.00772	16.2
89.85397	5.1
95.84295	4.9
98.20613	9.8
99.20371	5.8
100.03934	6.7
100.19378	5.0
101.02344	100.0
102.05517	82.1
115.00283	17.8
117.60272	5.3
127.00303	14.8
128.03462	37.3
132.62181	4.8
145.01369	23.3
146.04558	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	145.0137
Annotation	2-Oxoglutarate
Peak:m/z	Relative Intensity
55.01797	7.1
57.03336	23.2
59.01255	9.1
69.89400	29.7
71.01279	28.5
72.99202	8.6
73.02835	11.2
73.76481	5.1
74.02386	7.4
83.01303	14.3
83.04887	5.7
87.00772	16.2
89.85397	5.1
95.84295	4.9
98.20613	9.8
99.20371	5.8
100.03934	6.7
100.19378	5.0
101.02344	100.0
102.05517	82.1
115.00283	17.8
117.60272	5.3
127.00303	14.8
128.03462	37.3
132.62181	4.8
145.01369	23.3
146.04558	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	145.0137
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01797	7.1
57.03336	23.2
59.01255	9.1
69.89400	29.7
71.01279	28.5
72.99202	8.6
73.02835	11.2
73.76481	5.1
74.02386	7.4
83.01303	14.3
83.04887	5.7
87.00772	16.2
89.85397	5.1
95.84295	4.9
98.20613	9.8
99.20371	5.8
100.03934	6.7
100.19378	5.0
101.02344	100.0
102.05517	82.1
115.00283	17.8
117.60272	5.3
127.00303	14.8
128.03462	37.3
132.62181	4.8
145.01369	23.3
146.04558	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	143.1072
Annotation	Isobutyl isobutyrate
Peak:m/z	Relative Intensity
55.01768	2.6
57.03329	4.7
59.01274	8.1
61.98719	15.6
69.03339	5.1
69.54785	7.4
69.55231	7.6
71.01265	27.3
71.04906	5.2
72.11086	1.9
73.02824	4.0
81.03356	6.9
83.01277	4.5
84.02068	2.3
85.02850	20.5
86.03210	1.6
87.00779	8.2
87.04427	5.7
88.50739	1.6
95.01317	2.6
97.02851	5.3
98.19795	2.7
99.04414	5.5
99.08061	1.8
101.02336	2.2
113.02343	4.7
116.02456	1.7
120.11163	1.6
125.02383	8.1
143.02455	3.5
143.03427	14.9
143.07111	2.7
143.10722	100.0
144.04544	13.6
144.05582	3.0
144.06602	6.5
144.11087	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	143.0344
Annotation	1,5-Anhydro-4-deoxy-D-glycero-hex-1-en-3-ulose
Peak:m/z	Relative Intensity
59.01257	19.9
67.29848	13.3
68.99701	31.8
69.03343	20.2
71.01271	100.0
71.55357	19.7
73.02840	40.3
74.02328	15.0
78.95780	13.4
79.57079	11.4
82.02866	43.9
83.01284	22.5
84.70175	12.6
85.02859	77.6
87.00753	32.6
96.99203	42.7
97.02853	21.8
99.00757	25.9
108.71224	13.2
113.02371	14.5
124.98707	82.7
125.02393	26.4
142.99812	24.3
143.03418	39.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	142.998
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23161	1.4
53.00203	20.2
55.01767	2.2
57.03332	1.7
58.00479	2.5
58.02876	1.4
59.01274	10.1
68.99701	4.3
69.03332	4.1
69.42331	9.9
69.42744	3.4
71.01277	52.3
71.04900	1.9
72.99194	3.1
74.02370	3.6
78.64146	1.5
80.99699	4.3
81.03355	2.4
82.02881	25.3
83.01294	2.9
85.02849	12.9
87.00772	16.2
88.64142	1.5
96.99213	20.9
97.02851	3.1
99.04430	4.0
101.02357	1.5
102.05527	2.0
112.02122	1.4
112.98723	28.0
113.99048	2.2
115.00296	4.4
124.98727	60.9
125.02390	2.7
125.99067	3.5
140.98232	7.1
142.99802	100.0
143.03445	7.2
144.00172	5.2
144.02969	5.9
144.04463	2.7
158.99344	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	142.998
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00196	12.3
53.51454	4.4
57.03316	5.4
59.01261	10.0
60.02581	4.2
60.54399	4.7
68.99725	5.3
69.03345	7.2
70.88560	11.8
71.01279	58.5
71.04912	4.6
72.99212	5.6
73.02831	4.8
74.02339	4.5
80.99715	4.6
81.03365	6.2
82.02879	36.8
85.02845	15.9
87.00771	22.1
96.99207	16.8
97.02895	7.5
98.95551	4.1
99.04420	8.4
100.03910	4.4
105.23250	3.7
107.22838	4.1
112.98721	29.3
113.02316	4.1
113.82631	4.8
115.00292	7.7
122.82083	4.2
124.98721	51.5
125.02371	6.9
140.98268	9.3
142.99806	100.0
143.03419	12.4
144.00125	4.3
144.02979	9.6
144.04478	4.4
158.90617	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	135.0657
Annotation	1-Deoxy-D-ribitol
Peak:m/z	Relative Intensity
57.03333	1.9
58.00464	1.8
59.01265	24.0
69.03368	2.1
71.01267	44.3
71.04913	3.6
71.26578	3.0
72.99197	2.7
73.02837	36.6
75.00757	6.5
81.03345	14.2
84.02061	2.6
85.02846	100.0
86.03173	3.7
87.00771	1.8
89.02345	11.7
99.04422	3.8
101.02355	13.3
103.03912	10.5
115.03933	2.3
117.00672	2.5
117.05476	5.0
123.62624	1.3
126.96424	1.3
135.04449	5.6
135.06580	13.3
142.67351	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	137.0602
Annotation	1-(4'-Hydroxyphenyl)ethanol
Peak:m/z	Relative Intensity
64.01822	0.6
65.01325	1.6
65.03844	1.1
65.99715	1.2
66.00867	1.2
66.03342	1.0
67.01775	0.7
67.02883	1.8
68.01289	2.0
70.83376	0.5
71.57659	0.8
78.95814	0.7
81.03355	2.4
81.04447	0.7
82.02840	1.0
83.01305	1.2
85.02840	0.7
88.83514	0.6
89.01481	0.6
93.03358	100.0
94.02885	1.8
94.03685	5.5
95.01276	1.7
95.02412	1.0
96.00777	1.6
106.04141	6.8
107.04951	2.9
108.02077	21.6
109.02283	0.8
109.02891	10.3
109.03977	0.8
109.99983	1.1
110.02409	1.2
110.03402	0.7
111.01912	1.1
119.02390	1.0
119.04954	10.6
120.02005	1.9
122.03616	0.7
123.00774	1.7
123.01842	1.0
124.32661	0.6
135.04477	0.9
136.00581	0.9
136.01588	5.1
137.02385	74.9
137.03398	3.4
137.06015	46.2
137.99509	0.9
138.01877	8.9
138.02870	5.2
138.05498	1.3
138.06395	3.1
153.01884	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	142.998
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00204	11.3
55.01764	5.1
57.03341	5.3
59.01258	14.5
68.99702	6.9
69.03342	11.8
71.01271	73.6
71.01667	4.1
71.04905	6.5
71.18698	4.7
72.99192	6.6
73.02831	6.2
80.99718	4.8
81.03352	7.2
82.00050	2.1
82.02873	4.8
83.01282	7.8
83.04911	2.0
85.02840	33.9
86.03168	2.1
87.00768	19.5
87.04433	3.0
89.01305	2.4
95.01285	3.0
96.99215	15.0
97.02844	10.2
97.06493	2.9
98.03148	1.9
99.00736	3.3
99.04432	6.9
100.03973	2.0
101.02361	4.2
112.98716	22.3
113.02370	6.8
115.00315	5.1
115.03948	3.3
124.98722	52.1
125.02402	11.7
140.98244	6.5
142.99800	100.0
143.03473	25.2
143.07071	4.3
143.10715	15.3
144.00125	4.9
144.02943	2.8
144.04468	8.6
144.06592	2.8
158.99277	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	134.0241
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03341	0.4
59.01268	3.3
64.00540	0.6
64.01830	0.3
65.01337	7.5
65.99736	3.2
66.00860	0.7
66.01678	0.3
67.02889	0.3
68.01310	0.4
69.03353	0.5
71.01272	7.4
71.04903	0.6
71.44408	0.5
72.01590	0.3
72.99234	0.7
73.02838	5.6
75.00779	1.1
78.03410	0.4
79.02874	0.6
81.03355	3.0
81.04482	0.3
84.02045	0.6
85.02847	19.2
87.00771	0.6
89.02327	2.3
90.00890	0.9
90.03407	0.8
91.02908	1.6
92.01332	1.1
92.02443	2.6
93.00845	0.4
93.03386	1.2
95.02428	0.3
96.28325	0.3
99.04445	0.5
101.02335	2.7
103.03923	1.9
105.02108	2.3
105.03226	0.5
106.02981	1.3
106.04047	3.8
107.02432	6.6
107.03574	1.4
107.04211	0.4
107.04944	6.8
108.02081	1.4
108.02743	0.5
115.03909	0.6
116.00592	0.5
116.01337	3.0
117.05528	0.8
123.04469	0.7
127.18177	0.3
133.01625	10.5
133.05110	0.3
134.02434	100.0
134.03535	18.5
134.04639	5.4
135.01927	0.9
135.02808	6.9
135.04456	19.1
135.06540	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0653
Annotation	Chavicol
Peak:m/z	Relative Intensity
50.00250	1.7
52.76840	1.1
59.01243	1.8
59.68837	1.1
64.00568	1.2
64.01807	3.0
65.01333	19.3
65.99745	6.4
67.02907	1.5
69.30914	10.9
69.31322	2.1
69.70992	1.2
71.01272	23.1
72.99200	8.6
75.00772	2.7
81.04482	2.9
85.02847	1.8
87.00752	1.5
87.04401	4.2
89.02335	2.3
90.00869	1.7
91.02910	10.2
92.01328	4.0
92.02446	7.1
93.00866	1.3
95.04918	2.4
106.04044	16.3
107.02433	14.7
107.03538	2.8
107.04313	1.8
115.00285	26.8
116.00625	2.0
119.41466	1.3
123.04473	3.9
131.04955	4.7
132.05742	13.6
132.86705	3.4
133.01401	8.9
133.03058	1.8
133.04001	10.0
133.05038	14.4
133.06523	100.0
134.02493	3.7
134.03539	32.2
134.04643	12.9
134.06850	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	133.0136
Annotation	(S)-Malate
Peak:m/z	Relative Intensity
67.62038	1.2
69.55762	7.7
71.01272	59.0
72.01614	1.6
72.99195	11.5
87.00764	2.4
89.02357	6.8
99.18753	1.1
115.00291	100.0
116.00618	4.6
133.01358	37.5
134.01711	1.9
152.37613	1.2
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	Unknow
Peak:m/z	Relative Intensity
59.01255	1.3
61.61020	0.9
64.22906	0.9
70.49992	2.9
71.01271	59.3
72.01610	2.3
72.11616	0.9
72.99199	14.0
75.83480	1.0
76.62106	0.8
77.71488	0.9
87.00719	1.1
89.02338	6.5
115.00288	100.0
116.00621	3.4
133.01357	27.1
133.05051	1.4
134.01683	1.4
138.69759	0.9
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
53.42096	0.6
59.01270	1.3
59.72947	0.5
71.01272	78.6
71.19376	1.2
72.01614	2.0
72.99203	16.7
86.40939	0.6
87.00777	2.3
89.02345	8.3
114.09191	0.7
115.00289	100.0
116.00620	4.3
133.01357	26.7
133.05009	1.1
134.01717	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0281
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68724	3.4
57.03355	5.5
71.01271	66.9
71.58558	4.6
72.99196	25.2
75.00747	5.8
87.00790	5.5
87.04430	10.7
89.02332	9.3
96.87729	3.8
114.99480	6.4
115.00291	100.0
121.14532	3.4
132.86703	47.9
132.89905	8.5
133.01370	27.9
133.02885	22.2
133.04965	25.1
134.02449	4.7
134.04672	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	133.0282
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03339	5.7
59.01263	5.4
71.01270	86.3
72.01605	2.8
72.99202	27.7
75.00769	5.3
75.65520	2.3
85.02845	3.4
87.00775	7.8
87.04435	12.7
89.02329	11.6
92.02434	2.8
98.19787	6.8
107.03542	8.4
107.07537	2.3
112.62309	2.4
112.95218	2.4
115.00289	100.0
116.00663	5.8
132.86717	49.4
132.89963	5.6
133.01363	30.0
133.02872	28.0
133.04988	29.8
134.04626	31.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	130.0868
Annotation	beta-Alaninebetaine
Peak:m/z	Relative Intensity
55.01777	2.0
57.03342	9.9
57.08741	1.7
58.02867	2.1
59.01266	10.7
65.01344	2.7
68.16431	1.4
69.03352	3.8
71.01273	43.5
71.48212	2.1
72.99186	1.4
73.02840	70.8
75.00770	3.6
84.00812	1.5
84.08072	1.9
85.02853	29.4
85.06480	1.6
87.04420	18.8
88.03946	5.3
89.01368	1.7
91.81669	1.2
101.02328	6.6
113.02368	5.0
130.02776	1.6
130.04033	13.9
130.05006	2.2
130.08675	100.0
131.03502	25.4
131.09019	7.5
136.96974	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	119.0495
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01260	2.1
61.98713	2.3
65.54208	0.5
71.01250	1.7
71.37778	0.7
73.02847	0.7
73.84482	0.5
93.03362	3.0
101.92349	0.6
118.92631	1.8
119.02467	1.5
119.04945	100.0
120.05275	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	119.0493
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53314	0.6
56.74425	0.6
59.01273	3.2
60.91757	0.6
66.35661	0.6
69.74757	1.1
69.75170	3.0
71.01264	2.1
73.02823	0.7
93.03346	2.0
97.78615	0.7
101.92329	0.8
118.91894	0.7
118.92544	3.7
119.04945	100.0
119.57929	0.7
120.05260	7.2
129.78424	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	126.0554
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01772	1.8
58.02859	2.9
62.18451	0.8
65.01328	1.6
65.99730	7.3
68.01288	1.7
69.61765	6.8
71.01270	100.0
72.01603	3.5
80.04937	1.0
81.03335	2.2
82.02839	1.3
83.01287	3.5
83.02397	8.4
83.04920	1.9
84.00760	1.3
85.02833	4.8
85.03966	9.6
86.02364	2.4
95.04926	2.2
98.02390	2.1
98.06023	1.0
98.19853	1.9
99.00768	2.3
100.03932	1.4
110.02393	1.2
111.03198	1.8
124.03935	1.0
126.01910	1.8
126.02882	6.7
126.05533	13.3
126.90312	3.9
127.00287	9.7
127.01344	1.8
127.03032	1.0
127.03956	3.3
127.05005	2.0
127.05909	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	118.0409
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	7.3
69.05222	1.5
70.46481	5.0
71.01278	4.9
72.99194	2.7
74.03184	4.4
93.03384	2.1
99.22688	1.6
100.92496	16.4
101.92320	4.0
117.92791	60.2
118.02896	8.1
118.03772	6.4
118.91801	2.9
118.92521	12.3
119.04941	100.0
127.29057	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	118.0409
Annotation	Unknow
Peak:m/z	Relative Intensity
71.20221	1.6
73.02850	1.1
91.59467	1.2
100.92497	2.6
117.92765	9.9
118.92593	2.4
119.04945	100.0
125.58393	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0342
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01772	5.4
58.00477	4.8
59.01267	100.0
69.08542	3.4
71.01272	59.2
71.55336	5.3
72.99198	10.3
73.02857	4.3
73.32071	3.6
77.37188	3.1
83.01311	4.4
89.02342	5.0
101.02354	4.8
119.02552	4.9
119.03421	19.3
119.04930	10.7
120.05600	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	119.0492
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00240	3.1
59.01278	3.6
64.96460	1.7
65.01332	5.2
65.99742	6.2
69.52480	15.9
71.01259	2.7
79.02949	1.7
87.10561	1.9
91.02939	2.9
92.01321	4.5
93.00818	2.2
97.30913	1.8
101.03869	34.8
102.04240	3.1
117.03380	21.6
118.92561	3.1
119.02502	8.9
119.04942	100.0
120.01946	3.8
120.05598	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	119.0495
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01276	0.3
63.55443	0.3
71.17864	0.6
75.99963	0.2
91.05429	0.7
93.03358	2.6
98.20143	0.3
101.92318	0.4
118.91760	0.3
118.92558	0.6
119.04942	100.0
120.05273	7.4
132.23770	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0495
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01769	0.4
56.64106	0.3
57.86026	0.3
59.01262	1.2
59.84481	0.3
61.98710	1.6
68.68414	0.3
69.70661	2.2
71.01271	1.2
72.99216	0.4
91.05447	0.5
93.03357	2.2
100.05975	0.3
101.92363	0.5
104.02583	0.3
118.92604	1.3
119.04943	100.0
120.05264	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	117.0332
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67190	0.6
55.98515	0.6
57.93747	0.6
67.81009	0.6
71.01274	1.1
71.59012	0.6
73.02837	19.4
74.03175	0.9
88.36610	0.6
99.00783	1.8
99.65108	0.6
99.92487	26.7
100.92495	2.7
102.18304	0.6
116.92776	100.0
117.01884	2.7
117.03379	46.1
117.92796	11.1
118.02940	1.2
118.03740	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	118.0405
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53004	1.2
52.87681	1.4
55.95092	1.2
59.01270	9.4
71.01260	7.5
71.58225	2.1
72.99200	2.5
73.02831	3.7
74.03175	5.8
93.03363	2.6
100.92491	17.3
101.92311	2.7
117.92784	60.7
118.02902	9.1
118.03654	1.2
118.03980	1.2
118.92539	14.7
118.93334	2.6
119.02409	3.9
119.03513	3.1
119.04947	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	113.0237
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01773	13.6
57.03338	27.1
67.01778	3.1
69.03341	2.1
70.87703	3.8
71.01268	2.5
72.00829	1.8
72.99196	2.1
83.01286	3.2
84.02055	18.2
85.02844	100.0
86.03212	4.2
90.24641	1.8
95.01283	4.9
107.38171	1.7
113.02359	13.9
130.58043	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	115.0757
Annotation	Isocaproic acid
Peak:m/z	Relative Intensity
59.01258	2.5
59.21889	0.8
69.59748	6.5
71.01271	3.3
71.04907	4.4
73.03973	5.3
74.02348	0.8
89.01346	2.2
97.93040	3.9
111.59167	0.8
114.93320	10.0
115.00240	0.9
115.03926	3.4
115.07565	100.0
116.02477	5.2
116.07880	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	1153.307
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01285	0.3
83.84239	0.1
93.03396	0.1
107.01285	1.1
108.02077	1.3
117.03423	0.2
119.04977	0.3
121.02883	0.2
122.03681	0.4
124.01575	0.2
133.02853	0.7
134.03596	0.2
135.00807	0.4
135.04468	0.2
145.02907	0.6
147.04445	1.0
148.01608	0.9
148.05232	1.7
149.06017	65.2
150.06371	1.7
151.00302	3.4
153.01796	0.1
154.02678	0.1
159.04396	0.2
161.02406	1.0
163.00287	0.8
163.03957	0.2
164.01086	0.5
169.01428	0.3
174.03223	0.2
178.99818	2.5
183.04410	0.1
187.03868	0.3
191.07130	0.3
192.00600	0.3
198.03133	0.3
199.03893	0.7
200.04738	0.1
201.01973	0.3
202.02718	0.1
203.03462	0.2
211.03966	0.5
213.01849	0.3
215.03496	0.7
216.04250	0.5
221.06453	0.1
226.02745	1.2
227.03506	2.3
228.04048	0.2
229.01491	0.3
243.03012	9.4
244.03613	0.7
254.02242	1.7
255.03012	22.4
256.03369	1.1
271.02524	51.6
272.03067	4.6
273.03809	0.3
283.02490	0.3
293.10587	0.2
299.02078	2.2
300.02802	92.1
301.03345	8.1
302.04028	0.2
311.11420	8.2
312.11743	0.5
325.03598	0.3
343.04233	0.2
353.12473	4.5
354.12643	0.3
397.05969	0.1
445.07590	0.1
489.10043	0.1
591.13837	0.3
609.14746	8.3
610.15082	0.6
668.83331	0.1
755.18390	100.0
756.18738	12.8
829.30939	0.3
991.33820	0.7
1146.78735	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	1125.5126
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01251	0.5
85.02854	1.2
87.00783	1.9
88.98699	3.3
89.02349	1.5
89.03868	0.8
91.08923	0.3
93.03381	0.6
93.07013	0.4
95.01334	0.3
95.04900	0.3
96.92668	0.3
96.95921	0.3
97.02879	0.7
99.00769	0.5
101.02341	4.3
103.03902	0.5
104.02607	0.7
105.03373	0.9
107.01236	0.3
109.02832	0.5
113.02346	2.1
115.01788	0.6
115.03944	0.3
116.92780	0.3
117.03394	0.9
119.03426	0.7
121.02874	0.5
122.03662	0.3
123.04454	2.9
123.15668	0.3
131.03445	1.0
132.02097	6.0
133.02884	52.3
134.03416	1.5
135.04449	20.7
136.04791	0.5
137.02359	0.5
143.03433	0.9
143.04936	0.3
145.02859	0.4
149.02449	0.4
150.03142	0.8
151.00267	0.5
151.03984	0.4
153.05534	1.8
160.01604	0.3
161.02391	89.5
162.02739	3.4
163.06102	0.8
165.01848	0.8
165.05513	0.5
169.06587	0.3
177.85130	0.2
179.03461	8.0
180.04169	0.6
195.06607	1.6
203.03813	0.3
203.05490	1.4
205.07117	0.7
221.06625	0.7
225.07722	0.8
227.16571	2.2
229.05101	0.3
233.06735	0.5
241.18135	0.3
257.04810	0.3
285.04126	18.7
286.04449	1.8
297.09976	0.5
315.10895	1.9
327.25430	2.2
339.25409	1.3
357.26535	9.7
358.26935	0.7
459.15146	1.3
460.28137	0.3
461.16824	2.0
477.16312	1.1
559.47131	0.3
605.21008	1.9
623.21967	1.4
763.67755	0.3
767.23718	0.3
785.25366	0.6
791.30188	0.3
799.21075	0.3
839.31750	0.6
945.47125	0.8
963.48395	4.3
964.49042	0.5
1125.51501	100.0
1126.51794	26.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1114.623
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95794	38.2
84.04104	0.2
96.96857	6.5
107.15739	0.1
115.13966	0.1
147.36584	0.1
150.97975	0.6
152.99525	53.1
153.99849	0.5
166.96657	0.2
171.00587	1.1
190.86726	0.2
211.07631	0.2
223.00143	6.9
241.01205	14.9
242.01591	0.4
259.02173	1.1
261.22189	0.2
279.23349	41.4
280.23715	2.6
315.04932	5.5
333.05899	0.6
396.43912	0.2
449.77701	0.2
504.31088	0.3
505.31601	0.3
595.29022	100.0
596.29358	9.4
645.62341	0.2
1140.00671	0.2
1143.12000	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1123.4929
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95792	53.2
84.41460	0.3
96.96865	4.1
98.20496	0.5
143.25836	0.2
150.98012	0.9
152.99524	55.7
153.99887	0.5
171.00592	14.4
216.39207	0.3
227.03246	3.4
245.04347	70.3
246.04688	1.1
253.21767	33.9
254.22086	1.6
314.21710	0.3
343.46295	0.2
344.71463	0.3
478.29520	0.3
481.25824	100.0
482.26105	6.1
795.22998	1.4
895.44855	0.4
918.56097	0.3
1123.49255	25.3
1124.49463	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	1125.5063
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95791	16.7
80.96223	0.1
96.96857	1.4
100.35475	0.1
150.97928	0.2
152.99521	23.7
153.99876	0.5
154.99988	0.2
159.61659	0.1
171.00594	3.0
180.16388	0.1
227.03252	3.3
237.22185	0.2
245.04337	9.6
246.04718	1.1
247.04832	0.3
253.21761	3.4
254.22095	1.0
255.23323	100.0
256.23660	5.3
299.16495	0.1
481.25824	8.9
482.18930	0.1
482.26141	4.2
483.27353	66.2
484.27676	4.4
641.22748	0.2
663.68866	0.1
795.22839	0.5
897.46075	0.3
1125.50513	17.5
1126.50757	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	1097.6815
Annotation	Unknow
Peak:m/z	Relative Intensity
78.66579	0.1
78.95793	6.0
83.04917	0.1
91.72823	0.1
91.79607	0.1
96.96855	0.2
98.22864	0.1
122.98436	0.1
152.99532	1.4
168.02869	0.1
168.04274	1.6
171.00639	0.1
205.19598	0.1
213.33650	0.1
224.06943	0.9
242.08029	2.5
243.08220	0.1
261.22366	0.4
279.23343	100.0
280.23685	6.4
433.23898	0.1
504.31064	77.8
505.31381	6.1
519.27332	0.7
578.34753	4.5
579.35107	0.3
683.60559	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	1110.5922
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95794	34.7
83.04937	0.2
96.96862	5.9
98.80652	0.1
125.02312	0.1
141.09135	0.1
150.97948	0.6
152.99527	51.1
153.99901	0.7
171.00566	1.2
181.49710	0.1
223.00125	7.0
233.22729	0.2
239.00174	0.1
241.01207	14.7
242.01492	0.3
259.02295	0.8
259.20770	0.3
264.43030	0.1
275.20129	0.3
277.21783	30.7
278.22110	1.8
315.04950	5.9
316.05389	0.2
333.05981	0.7
401.40427	0.1
470.47818	0.2
503.29468	0.2
593.27441	100.0
594.27747	8.4
824.85815	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1111.3535
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01259	0.3
85.02837	1.5
86.24614	0.2
87.00764	1.2
89.02332	2.1
89.03878	0.2
95.01304	0.2
97.02837	0.2
99.00767	0.3
101.02342	3.9
101.03878	0.6
103.03893	0.4
104.02589	0.2
105.03344	0.5
113.02360	1.6
115.01814	0.3
115.03880	0.2
117.03405	0.9
119.03436	1.0
119.04937	3.1
123.04455	1.7
125.02380	1.0
131.03404	1.2
132.02095	3.0
133.02876	27.8
134.03311	0.7
135.04446	10.4
136.04776	0.5
143.03447	0.6
153.05453	1.1
159.02896	0.3
161.02383	71.9
162.02739	2.7
163.06059	0.6
166.93526	0.2
179.03471	4.1
179.05498	0.6
190.90538	0.2
221.06615	2.2
266.85794	0.2
297.09799	0.4
313.83405	0.2
315.10889	1.7
325.09161	0.3
443.15549	0.2
459.15356	0.3
461.16714	1.9
477.16217	4.1
478.16290	0.3
489.32037	0.2
605.20575	0.3
623.22046	7.1
624.22614	0.7
785.25238	100.0
786.25519	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	1093.65
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95795	6.8
83.04946	0.2
91.25950	0.1
96.96870	0.2
107.67229	0.1
122.98483	0.1
127.07559	0.2
140.33545	0.1
152.99524	1.6
168.04263	1.8
171.00627	0.1
189.46352	0.1
205.19617	0.2
214.11908	0.1
224.06946	1.2
233.22726	0.5
242.08017	3.1
243.08382	0.1
259.20749	0.5
275.20181	0.4
277.21768	96.8
278.22113	5.8
457.23260	0.1
486.36746	0.1
502.29498	100.0
503.29831	8.4
517.25806	0.8
576.33203	5.3
577.33447	0.6
582.17145	0.1
777.56769	0.1
821.66510	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	1097.5041
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03345	0.4
83.01275	10.0
85.02840	9.5
85.03362	0.4
86.97511	0.2
87.00774	1.4
89.02338	7.9
95.01278	2.6
97.02850	1.3
99.00780	2.6
101.02345	32.3
101.69690	0.2
102.02686	0.4
107.86222	0.2
109.02853	0.2
111.00749	0.3
113.02356	19.2
114.02779	0.2
117.01910	0.2
119.03413	4.9
123.04410	0.3
125.02362	2.4
131.02458	0.2
131.03427	3.1
133.02911	1.0
135.04459	0.7
143.03436	4.2
145.02831	0.5
147.02997	0.2
149.04488	5.5
149.05991	1.9
150.03146	0.2
150.06223	0.2
155.03430	0.9
159.02928	1.2
161.02510	2.2
161.04497	13.4
162.04829	0.4
179.03418	0.2
179.05566	1.0
191.05544	0.3
203.05563	1.4
221.06657	4.2
222.06960	0.2
248.56429	0.2
315.18161	3.4
316.18198	0.2
336.92352	0.2
413.21909	0.8
477.23514	22.3
478.23920	1.2
639.28796	100.0
640.29126	8.1
652.18713	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1083.41
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03878	0.2
81.03338	0.3
83.01274	0.6
83.35831	0.2
85.02848	3.0
85.99982	0.6
87.00776	3.1
89.02346	3.3
89.03876	0.5
95.01299	0.3
95.04903	0.4
96.75562	0.2
97.02846	0.4
99.00806	0.8
101.02346	6.5
103.03909	0.6
104.02603	0.5
104.66019	0.2
105.03349	0.6
109.02862	0.3
110.00016	0.3
113.02363	3.1
115.01814	0.4
115.03951	0.4
115.55894	0.2
117.03383	1.2
119.03406	1.9
119.04924	0.4
121.02854	0.6
123.04457	0.4
125.02383	1.2
129.01846	0.2
131.03433	2.9
132.02107	4.1
133.02888	39.0
134.03268	0.9
135.04456	10.4
136.04784	0.4
137.02350	0.5
138.03160	0.5
143.03464	1.0
145.02892	2.9
145.04915	0.2
149.02339	0.3
149.06052	0.3
150.03189	1.3
151.03986	0.4
159.02930	0.6
161.02396	63.6
161.04550	3.2
162.02736	1.8
163.04022	0.3
163.06055	0.6
168.04262	0.2
175.03932	0.2
177.05624	0.3
179.03461	6.1
179.05565	0.4
180.03827	0.4
180.74945	0.2
196.21010	0.2
203.03526	1.2
205.05121	0.3
205.07138	0.3
221.04552	0.4
221.06688	4.8
233.06615	0.4
245.04674	0.2
296.06870	0.2
297.07962	0.3
299.13400	0.3
299.16608	4.8
299.19995	0.2
300.16959	0.4
329.14236	0.4
331.15518	0.7
332.16022	0.3
348.18378	0.2
383.09915	0.4
389.51685	0.2
433.20309	5.2
434.20813	0.4
451.21341	1.7
537.77948	0.2
613.26685	0.8
649.20203	0.5
759.32971	0.9
775.32245	2.3
776.32660	0.5
783.23816	3.2
784.24432	0.4
903.38049	0.2
921.37817	7.5
922.38733	1.0
1083.41064	100.0
1084.41345	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	1081.304
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01305	0.3
85.02846	0.2
89.02341	0.2
91.16020	0.2
107.01323	0.5
108.02080	0.6
117.03338	0.2
119.04954	2.0
121.02854	0.3
125.02353	0.2
133.02875	2.7
135.00777	0.3
135.04446	3.1
148.01643	0.7
149.02348	0.2
151.00299	2.9
161.02390	4.6
162.02803	0.3
163.00311	0.5
164.01039	0.3
175.03912	0.3
178.99861	1.8
179.03427	2.5
187.03810	0.3
192.00594	0.3
199.03873	0.4
201.01900	0.2
203.03487	0.5
211.03981	0.3
215.03568	0.3
216.04269	0.2
226.02672	0.9
227.03513	1.6
229.01694	0.2
238.06354	0.2
239.07169	0.5
243.03020	5.9
244.03461	0.5
254.02261	1.3
255.03023	15.3
256.03442	1.2
267.06613	1.6
271.02539	35.1
272.03018	2.7
273.04202	0.2
285.04123	0.2
299.02173	1.5
300.02817	62.9
301.03354	7.4
302.03955	0.2
325.09189	0.5
330.50131	0.3
461.17053	0.2
487.14392	1.0
519.13336	0.2
561.16095	1.1
623.20020	1.0
651.19513	0.8
652.19879	0.3
755.20587	100.0
756.20917	14.7
934.79907	0.2
1021.47137	0.3
1047.73572	0.3
1049.31396	1.2
1059.45178	0.2
1081.34729	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1073.4834
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00762	0.1
79.75061	0.1
81.03371	0.1
83.01276	1.7
85.02840	4.3
86.00005	0.2
87.00787	0.4
89.02336	1.0
93.60690	0.1
95.01279	0.7
97.02878	0.2
99.00774	1.5
99.01345	0.1
99.08072	0.1
101.02344	7.5
101.82642	0.1
111.00789	0.5
113.02354	3.6
115.03927	0.1
117.03378	2.2
119.03434	0.4
119.04971	0.4
120.54993	0.1
123.04481	0.2
125.02376	0.2
129.01903	0.2
129.09177	0.2
131.03459	0.2
132.02075	0.1
133.02870	0.9
133.06548	0.1
135.04446	1.7
141.01906	0.1
143.03455	0.3
145.02885	8.4
146.03246	0.2
153.05499	0.1
159.02901	0.7
161.02403	2.9
161.04526	1.5
161.06021	0.3
162.02754	0.1
163.03989	0.3
179.03534	0.2
205.05188	0.1
205.07120	0.1
223.17169	0.1
243.19633	0.7
265.07333	0.1
283.23022	0.1
285.20828	0.2
303.21899	0.2
315.10870	0.8
405.24960	1.0
406.25595	0.1
447.26065	2.8
448.26447	0.2
461.16678	1.0
464.25702	0.1
465.27103	100.0
466.27444	6.3
607.20416	9.7
608.20911	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1068.5456
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95791	36.4
79.30501	0.2
96.95905	1.0
96.96860	5.6
101.16708	0.3
101.68161	0.2
127.08897	0.2
127.51540	0.3
150.97949	0.6
151.53564	0.2
152.99522	46.3
153.99927	0.4
171.00586	1.9
215.55453	0.3
223.00128	6.1
226.17780	0.3
241.01198	12.8
242.01619	0.4
243.51254	0.3
259.02249	0.4
259.20688	0.3
277.21774	28.3
278.22153	2.3
315.04916	5.4
333.05991	0.6
342.87933	0.3
444.49023	0.3
474.26334	1.0
593.27423	100.0
594.27905	10.7
594.37445	0.5
656.16223	0.3
886.71130	0.3
1022.73370	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1071.3015
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03339	0.3
83.01283	2.8
83.04382	0.2
85.02813	1.4
85.99983	0.3
87.00763	1.0
89.02348	1.2
89.03862	0.5
92.46146	0.3
93.03362	1.5
95.01295	1.0
95.04887	0.5
97.02832	1.8
99.00784	0.4
105.03368	0.9
107.04942	0.5
108.02070	1.5
109.02874	5.0
111.00786	0.6
113.02371	1.1
115.01826	0.3
117.03425	1.5
121.02893	3.0
122.03666	2.4
123.00794	1.4
123.04463	2.8
123.21243	0.3
124.01563	0.9
125.02357	7.8
125.32038	0.3
126.02669	0.3
129.03375	0.5
131.03438	1.4
131.04962	0.5
132.02119	3.3
133.02884	30.0
134.03723	2.4
135.04451	21.2
136.04776	0.7
137.02376	6.3
139.03899	1.4
143.04993	1.6
145.02908	3.4
146.03673	3.9
147.04465	6.8
148.05153	0.5
149.02386	3.8
149.06023	2.5
150.03162	1.0
151.00337	0.4
151.03943	1.3
154.02663	0.7
155.04947	0.6
158.03685	0.9
159.04459	4.4
160.01588	0.6
160.05208	0.7
161.02396	55.4
161.04570	1.5
161.05898	2.2
162.03035	2.6
163.00305	1.1
163.03960	2.9
164.01109	1.0
165.01892	6.0
167.04991	0.5
170.03679	0.7
171.04472	4.5
172.05226	0.7
173.02390	3.1
173.06053	2.8
174.03207	3.2
175.03969	9.9
175.07573	0.4
176.01091	0.5
176.04628	0.9
177.01970	0.6
177.05539	2.7
179.03465	11.3
182.03708	0.4
183.04475	1.9
184.05273	1.2
185.02426	0.5
185.06055	2.5
186.03189	0.9
186.06796	0.3
187.03976	4.2
187.07529	0.5
188.04764	2.7
189.01923	1.0
189.05533	6.2
190.02682	0.9
190.06020	0.5
191.03467	1.4
191.05272	0.3
191.07100	1.0
195.04541	0.4
196.05286	0.6
197.02394	0.4
197.06059	1.7
198.03235	0.7
199.04004	3.5
199.07683	1.5
200.04726	1.2
201.01881	1.4
201.05516	4.4
202.02614	0.3
202.06195	0.6
203.03485	6.3
203.07155	1.4
204.04147	1.1
205.05043	3.0
207.06717	0.4
209.06094	1.0
210.07004	0.4
211.04028	2.7
211.07697	0.5
212.04776	2.7
213.05522	3.4
214.02760	1.3
214.06352	0.8
215.03516	5.8
215.07014	2.5
216.04131	0.8
217.05040	2.7
219.06631	0.4
221.04533	0.9
221.06685	1.1
224.04814	0.7
225.05589	5.7
226.02754	0.3
226.06305	1.2
227.03546	4.2
227.07085	4.2
228.04274	1.4
229.01424	1.1
229.05052	3.1
230.02243	4.8
230.05696	0.6
231.03027	2.6
231.06604	0.9
232.03810	1.5
233.04601	0.7
239.03558	0.4
239.07245	0.4
240.04271	1.3
241.01366	0.7
241.05078	5.6
242.02261	3.4
242.05743	1.0
243.03011	8.9
243.06557	2.4
244.03786	2.7
245.04555	2.7
245.08226	0.7
246.05316	0.6
247.06142	3.4
251.03522	0.4
253.05096	3.2
254.05859	0.8
255.03040	3.5
255.06712	1.2
256.03760	1.6
257.04544	2.9
258.05231	0.5
259.06171	13.0
260.06577	0.9
267.06772	0.9
269.01447	0.4
269.04608	3.8
270.02118	1.7
270.04788	1.8
271.02542	7.2
271.06137	2.2
272.03018	0.6
273.03946	1.5
281.04581	0.7
283.06326	0.4
285.04099	0.6
286.04761	1.6
287.05682	7.5
288.06210	0.4
289.07254	1.6
297.04013	1.5
298.04922	1.4
299.05637	3.1
300.02869	2.7
301.03479	1.1
305.07819	0.3
311.05655	0.3
315.05115	4.4
334.08469	0.4
335.09366	1.0
353.10291	0.6
359.09280	0.6
376.09702	0.5
377.10236	2.0
394.07010	1.0
403.08301	0.6
420.08679	0.5
421.09357	3.6
422.10269	0.3
463.08899	4.1
464.09332	0.3
477.14291	0.3
653.20599	0.9
703.24445	0.4
729.22095	0.4
747.23108	1.3
757.21643	0.5
785.22644	0.3
865.27655	0.9
891.26099	1.9
909.26917	44.5
910.27271	6.9
919.25433	7.8
920.26282	1.6
949.28113	0.5
1071.30139	100.0
1072.30493	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	1066.3067
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00779	0.3
83.01303	0.4
85.02843	1.4
86.00014	0.3
87.00771	2.2
87.04398	0.6
87.06314	0.2
89.02355	0.9
94.02866	0.4
95.01273	0.3
101.02332	1.6
102.17537	0.2
103.03919	0.4
105.03368	0.5
107.04965	0.3
109.02877	1.2
111.00803	0.3
113.02374	2.0
115.03927	0.8
117.03377	0.5
119.03451	0.6
119.04924	0.2
121.02924	0.4
122.02379	0.6
122.03649	0.9
123.04436	0.7
127.55381	0.2
131.03442	1.0
132.02101	1.4
133.02884	12.5
134.02466	1.5
134.03621	1.6
135.04448	16.5
136.04799	0.5
137.02383	0.9
138.03191	0.3
143.03450	1.0
145.02863	0.3
147.04475	0.3
149.02368	1.0
149.06026	3.0
150.01930	0.9
150.03152	11.7
151.03751	0.6
153.05499	0.3
160.01591	0.2
161.02386	35.4
162.01900	1.4
162.02887	0.8
163.06050	0.5
164.03459	0.6
171.40962	0.2
175.03989	1.7
177.05545	1.6
179.03461	16.0
180.02896	2.4
198.04079	0.7
203.03477	8.7
203.97325	0.2
204.03860	0.3
205.05240	0.3
205.07112	1.1
208.43137	0.3
221.04524	1.8
227.03477	0.6
233.04558	0.3
245.04628	0.5
255.02934	1.2
263.05493	0.3
281.06683	1.3
284.03357	2.0
285.03867	0.4
286.78326	0.3
288.51212	0.3
360.09399	0.9
454.75824	0.3
482.51791	0.2
487.14618	0.7
488.14328	0.9
506.15268	10.9
507.15527	0.7
545.88312	0.2
563.14136	1.7
564.14758	0.7
621.18451	5.0
622.18695	0.4
668.18469	100.0
669.18829	10.4
817.68518	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1065.5739
Annotation	Unknow
Peak:m/z	Relative Intensity
75.48746	0.1
78.12624	0.2
78.95795	57.1
96.96860	6.1
111.60876	0.1
150.97969	2.0
152.99527	100.0
153.99864	1.5
168.28291	0.1
171.00597	4.3
250.72626	0.2
255.17639	0.2
255.23256	0.2
279.23270	0.8
433.23688	47.1
434.23984	4.0
434.29428	0.3
534.87463	0.2
609.47443	0.2
639.13580	0.2
1023.34143	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1065.4008
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03854	0.5
85.02880	0.6
93.03338	3.6
96.95913	0.8
102.99411	0.5
107.04913	0.5
108.02120	0.6
109.02840	3.7
121.02877	4.6
122.03661	9.4
123.00809	2.4
123.04469	1.3
124.01557	0.6
125.02399	1.2
131.04982	0.6
133.02892	3.1
134.03676	1.1
135.04457	2.2
136.01627	5.4
137.02383	32.2
138.03139	2.1
139.03925	0.9
143.17094	0.5
145.02856	0.6
146.03642	1.4
147.04414	1.1
147.97911	0.5
148.01588	0.7
149.02388	17.8
149.03578	1.0
149.06055	1.9
150.03168	50.3
151.00327	11.3
151.03964	10.6
152.01099	1.4
152.04666	1.8
153.01837	1.4
153.05539	0.6
159.04442	0.6
161.02397	3.8
162.03131	1.5
163.03978	1.9
164.01132	1.8
164.04716	4.4
165.01888	100.0
165.05524	44.9
165.19400	0.5
166.02664	23.0
166.05850	1.2
167.03355	2.4
168.04253	3.0
175.03960	1.2
176.01111	0.7
176.04716	1.4
177.01881	2.5
177.05460	2.6
178.02664	1.0
179.03470	19.7
179.07068	5.4
180.04243	53.8
181.05028	37.5
182.05385	1.4
184.03714	0.9
187.03987	1.7
190.02740	0.6
190.06297	0.8
191.03482	1.8
192.04282	1.6
193.05075	2.7
194.05814	4.1
195.03012	2.6
195.06609	89.6
196.07007	3.8
202.06335	0.6
203.03494	1.3
204.04100	0.7
205.05054	5.2
206.05821	0.5
207.06651	3.1
209.04639	0.7
209.08165	3.3
210.05321	9.6
211.05980	0.7
219.06689	1.5
220.07397	3.3
221.08195	0.8
223.06073	0.9
225.07690	64.8
226.08015	2.2
233.08255	0.6
251.09227	0.8
304.67496	0.6
312.06442	0.8
315.08759	1.1
329.10333	2.1
341.02417	0.5
343.12216	1.2
359.11429	1.2
371.11484	0.8
372.12097	0.9
373.13055	3.3
387.10159	3.1
387.15411	3.3
388.11548	0.9
397.12820	0.5
401.12476	0.7
402.13229	2.3
403.08878	0.7
403.14078	10.9
404.14410	1.1
416.14798	1.4
417.15631	19.3
417.21246	0.9
418.15903	1.4
421.15134	1.9
433.15201	2.7
451.16129	11.3
535.16620	2.1
550.18518	1.3
564.20642	0.9
565.20990	20.5
566.21075	2.7
575.34601	0.6
577.20581	0.7
594.21399	1.2
595.21924	15.5
595.31000	1.0
596.22327	1.3
599.21954	1.3
611.64673	0.5
613.13123	1.0
613.22986	15.3
614.23755	1.3
622.85754	0.5
625.23328	2.7
629.22137	1.2
643.24054	5.1
644.23871	0.8
689.05750	0.6
743.27478	3.9
744.27734	0.8
755.27075	0.7
773.28412	2.9
774.27936	0.6
791.29266	4.5
821.30664	4.3
822.30212	0.7
839.31311	6.2
840.32184	1.2
869.32373	1.6
893.32275	0.7
969.35999	1.3
999.36914	2.0
1017.40936	1.0
1047.38037	1.2
1065.40222	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1059.4318
Annotation	Unknow
Peak:m/z	Relative Intensity
77.84442	0.1
82.17937	0.1
83.01274	1.9
85.02842	4.3
85.99997	0.2
87.00761	0.5
89.02340	0.9
95.01269	0.7
96.95911	1.6
97.02876	0.3
99.00772	1.7
101.02349	8.3
102.02647	0.1
111.00785	0.5
113.02352	3.6
119.03403	0.4
125.02378	0.2
129.01854	0.2
129.09129	0.2
133.02864	0.3
135.04462	0.3
141.01820	0.2
143.03412	0.3
145.02904	0.3
146.03137	0.1
151.00290	0.7
159.02963	0.9
161.02431	0.7
161.04483	1.8
178.99854	0.2
199.03929	0.7
201.01917	0.2
215.03519	0.2
223.17213	0.2
227.03506	0.9
229.01453	0.1
242.02287	0.6
243.00499	0.2
243.03015	4.1
243.19588	0.8
244.03265	0.2
255.03023	1.5
257.04706	0.8
270.01770	0.8
271.02542	4.5
272.02921	0.4
285.04099	1.4
285.20776	0.2
286.04904	0.4
299.02039	7.8
300.02637	1.6
301.03473	0.4
314.04382	10.6
315.05051	1.9
405.25015	1.2
447.26083	2.5
448.26492	0.4
465.27121	100.0
466.27466	8.0
593.15222	9.7
594.15552	1.0
697.00482	0.1
850.19293	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	1065.3851
Annotation	Unknow
Peak:m/z	Relative Intensity
82.81599	0.1
83.01276	0.3
85.02840	2.3
85.99985	0.1
87.00769	1.2
87.04419	0.5
89.02348	2.4
89.03894	0.2
93.03319	0.1
93.85661	0.1
95.01289	0.3
99.00772	0.2
101.02343	3.3
103.03915	0.8
113.02362	3.0
115.03927	0.6
117.03380	26.2
118.03722	0.8
119.03532	1.6
119.04948	8.9
120.05284	0.3
123.04439	0.9
125.02386	0.5
127.03949	0.2
131.03464	0.9
133.02899	0.8
134.03651	0.3
135.04454	8.8
136.04810	0.3
143.03456	1.1
145.02892	75.7
146.03233	3.0
148.05275	0.2
149.06023	5.1
150.06396	0.2
151.03940	0.1
153.05505	0.7
159.04369	0.2
161.02397	2.0
161.04492	0.1
161.06026	0.4
163.03964	6.1
163.05962	0.9
164.04306	0.4
175.03940	0.3
177.05533	0.2
179.03351	0.1
179.05522	0.2
187.03952	0.8
188.04378	0.1
201.05656	0.1
205.05011	0.4
205.07170	1.0
209.08194	0.2
229.05087	0.2
247.08192	0.1
249.07718	0.6
261.07660	0.2
265.07144	0.4
266.07596	0.1
267.06635	0.5
279.08942	0.2
284.03412	0.2
297.09845	1.4
298.10132	0.2
299.05573	0.5
315.10919	4.7
316.11230	0.4
362.45688	0.1
430.90991	0.1
443.15659	5.1
444.15982	0.5
457.16873	0.3
461.16779	12.0
462.17114	1.1
471.15115	0.4
472.15451	0.3
487.14850	0.9
561.16632	0.3
606.19592	0.2
607.20453	100.0
608.20831	12.3
608.28284	0.2
608.31268	0.2
755.79694	0.1
1065.33630	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1059.3952
Annotation	Unknow
Peak:m/z	Relative Intensity
75.05203	0.1
77.03889	0.1
83.01269	0.2
85.02833	1.1
85.99952	0.1
87.00768	1.0
87.04409	0.2
89.02338	1.8
89.03867	0.2
95.01285	0.2
95.04923	0.1
97.02861	0.1
99.04449	0.1
101.02348	2.6
103.03912	0.3
104.02586	0.2
105.03375	0.5
107.04978	0.1
113.02356	1.5
115.01825	0.2
115.03902	0.5
117.03381	0.6
119.03421	1.2
123.04452	0.8
125.02376	0.3
131.03404	0.7
132.02103	2.0
133.02879	32.2
134.03265	0.6
135.04446	12.3
136.04778	0.4
139.64691	0.1
143.03444	1.1
145.04987	0.2
149.04474	0.1
150.03149	0.1
151.03995	0.1
153.05486	0.6
160.01593	0.1
161.02386	83.7
162.02733	2.8
162.04172	0.1
163.04114	0.1
163.06050	0.4
175.03960	0.2
179.03453	1.8
179.05536	0.1
185.87999	0.1
205.05202	0.1
205.07147	0.9
209.08182	0.1
222.21216	0.1
249.07690	0.5
261.07816	0.3
267.08810	0.1
279.08850	0.2
297.09818	0.2
306.28314	0.1
315.10938	5.4
316.11243	0.4
443.15466	0.2
461.16742	5.4
462.16733	0.5
487.14276	0.2
621.18628	0.2
622.19067	0.3
623.19916	100.0
624.20245	10.5
625.21014	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1051.3325
Annotation	Unknow
Peak:m/z	Relative Intensity
72.94147	0.2
72.99200	0.8
73.02843	3.2
75.00771	0.2
77.03874	0.3
81.03357	0.3
83.01271	1.0
85.02842	4.0
85.99987	1.0
87.00775	4.3
87.04414	1.8
89.02338	5.0
89.03883	0.6
91.05426	1.0
93.03360	10.0
94.03707	0.3
95.01281	0.5
95.04913	0.3
95.45907	0.2
97.02861	0.5
98.19904	0.3
99.00797	0.5
101.02350	8.6
103.03925	1.4
104.02593	0.5
105.03385	1.1
107.04951	0.5
108.02061	0.3
109.02889	0.7
111.00797	0.2
113.02364	4.6
115.01823	0.5
115.03920	2.1
117.03383	1.6
119.03439	3.0
119.04932	2.9
121.02869	0.7
121.06497	0.3
123.04443	0.8
125.02373	1.1
127.03895	0.3
130.04185	0.3
131.03432	4.1
131.04936	0.3
132.02098	5.5
133.02885	57.6
134.03369	1.8
135.04449	21.5
136.04793	0.6
137.02356	0.7
137.06039	0.4
139.03998	0.2
143.03436	5.7
145.02910	1.1
145.05029	0.7
146.03645	0.3
147.04459	12.9
148.05109	0.9
149.04480	0.2
149.04736	0.2
149.06024	2.5
150.03122	0.4
151.04012	0.2
159.04399	0.2
160.01598	0.3
161.02394	100.0
162.02737	4.5
163.03969	2.2
163.06059	3.4
164.04758	0.2
165.05519	0.6
167.07100	0.4
173.02443	1.3
174.03160	0.3
175.03970	15.1
176.04399	0.9
177.05540	2.0
179.03461	9.7
180.03827	0.5
181.04951	0.4
182.74062	0.2
191.03429	0.3
192.04301	0.4
193.04977	0.5
203.03528	1.9
205.07159	6.1
211.07675	0.2
213.05423	0.3
221.04401	1.4
222.06886	0.3
223.07616	0.5
225.05536	0.5
225.12318	0.2
229.08693	0.4
233.04518	0.4
238.06375	0.4
239.07169	2.8
240.07748	1.1
241.08731	5.4
242.05806	0.2
242.08922	0.2
247.08348	0.6
249.05624	0.5
251.07222	3.7
252.07605	0.2
253.05110	0.7
254.05893	5.5
255.06329	0.6
258.18924	0.2
259.09766	0.6
266.05817	0.3
267.06650	1.7
268.07004	0.3
269.08264	9.6
270.08597	0.7
281.06680	1.3
287.09229	0.4
293.08331	0.2
295.06146	0.4
315.11026	1.7
316.11569	0.2
327.41122	0.2
329.12476	0.6
337.07532	0.2
357.11798	0.2
421.15231	1.6
431.13693	0.3
449.14688	1.2
461.16714	1.6
487.14691	0.7
488.14978	0.3
489.15750	0.2
501.16382	0.4
561.16284	0.6
562.16364	0.3
563.17450	0.4
567.20868	2.2
568.21027	0.3
577.19696	0.6
589.15857	0.2
595.20502	3.4
596.20618	0.5
607.20551	0.2
621.18378	1.2
622.18951	0.3
623.19965	0.7
714.57562	0.2
729.24408	0.3
739.22162	1.2
740.24121	0.3
757.23669	10.2
758.24445	1.6
861.30585	0.2
871.28748	0.6
889.30017	4.2
890.30438	1.0
915.27423	1.0
916.27802	0.4
944.38904	0.3
1003.68939	0.3
1023.33624	0.9
1033.33386	1.0
1051.33289	81.2
1052.33618	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	1051.3332
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99206	0.8
73.02839	2.7
77.03844	0.3
80.74481	0.3
83.01273	0.6
84.02048	0.3
85.02837	3.5
85.99979	0.6
87.00778	4.2
87.04420	1.2
89.02335	4.7
89.03887	0.6
91.05417	1.1
93.03357	8.1
95.01272	0.7
97.02849	0.3
99.00800	0.4
99.04433	0.4
101.02341	7.2
103.03932	1.6
104.02554	0.5
105.03365	1.2
107.04934	0.8
108.02089	0.7
109.02851	0.8
113.02355	4.5
115.01769	0.5
115.03905	1.6
117.03376	1.2
119.03427	3.2
119.04897	2.6
121.02871	1.1
123.04428	0.9
125.02399	1.6
127.03923	0.5
131.03415	3.9
132.02101	5.8
133.02882	54.6
134.03325	1.9
135.04448	23.7
136.04807	1.2
137.02353	0.4
143.03444	4.6
145.02869	0.9
145.05000	0.9
147.03284	0.7
147.04456	11.2
148.04955	0.4
149.05988	2.7
151.03947	0.6
153.05435	0.5
160.01591	0.5
161.02390	100.0
162.02728	4.2
163.03972	2.6
163.06029	3.0
165.05478	0.5
173.02370	1.4
174.03181	1.6
175.03975	13.9
176.04436	0.5
177.05580	2.1
179.03459	11.0
180.03717	0.4
181.05025	0.5
189.05492	0.4
189.80081	0.3
192.04271	0.9
203.03488	1.4
205.07167	5.6
218.46344	0.3
221.04443	2.0
221.06406	0.4
223.07669	0.5
225.05600	0.9
226.06281	0.4
234.06650	0.4
238.06242	0.5
239.07146	3.2
240.07808	0.9
241.08727	5.0
247.08182	0.7
249.05656	0.6
250.06270	0.7
251.07243	6.7
253.05136	2.5
254.05876	10.8
255.06044	0.5
258.47711	0.3
267.06656	3.0
269.08240	17.3
270.08603	1.3
271.02615	0.5
281.06693	1.2
286.04840	0.4
287.09351	0.5
295.06198	3.9
300.02890	1.0
315.10965	2.0
412.14334	0.4
421.15097	1.0
431.13611	0.4
449.14621	1.5
461.16730	2.2
487.14850	0.8
488.14566	0.5
561.16675	0.4
563.17084	0.4
567.20966	2.1
568.21753	0.4
577.19189	0.9
589.15967	0.4
595.20404	4.0
596.20557	0.6
609.15021	1.1
621.18121	0.8
623.19641	0.7
624.20288	0.3
645.18323	0.4
729.24316	0.4
739.22650	7.7
740.22748	1.5
757.23615	10.5
758.24194	1.5
871.28937	0.4
889.30200	5.3
890.29889	0.8
915.27734	1.3
1023.34753	0.8
1033.31555	2.1
1034.32495	0.7
1051.33276	85.5
1052.33618	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	1050.3119
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99187	0.3
73.02850	1.3
81.03310	0.1
83.01281	0.3
85.02843	1.4
86.00005	0.3
87.00765	1.5
87.04405	0.4
89.02348	0.7
93.03369	0.4
94.02877	0.4
95.01296	0.4
96.95905	0.3
97.02789	0.2
101.02337	1.7
103.03945	0.3
106.02905	0.5
107.01307	0.2
109.02823	0.2
111.00772	0.2
113.02356	1.4
115.03923	0.7
117.03376	4.6
118.02927	0.1
119.04942	13.6
120.05265	0.6
121.02888	0.6
122.02410	0.8
122.03655	1.1
123.00800	0.2
123.03235	0.3
124.03937	0.2
125.02354	0.4
127.19005	0.1
131.03400	1.1
131.04886	0.3
132.05727	0.2
133.02824	0.4
133.06512	0.6
134.02419	1.9
134.03433	0.2
135.00731	0.2
135.04439	0.2
137.02388	0.5
138.03145	0.6
143.03430	1.2
145.02890	16.1
146.03233	0.6
147.04459	0.2
149.02367	0.9
149.06013	3.5
150.01979	1.1
150.03159	16.0
150.06357	0.5
151.03632	0.4
158.03673	0.4
159.04474	1.8
161.02379	0.6
161.06033	1.7
162.01897	2.4
162.03152	0.2
163.03946	20.1
164.04269	0.7
173.06001	0.2
177.05527	0.9
179.02116	0.2
180.02983	3.8
185.06010	0.2
187.03975	9.7
188.04276	0.4
198.04054	1.2
205.05034	1.1
205.07103	0.7
229.05051	0.5
247.06102	0.2
264.62558	0.2
265.07239	0.7
324.07300	0.2
353.12518	0.4
360.09503	1.0
471.15555	0.2
488.14273	1.2
506.15237	7.2
507.15500	0.7
605.18329	0.4
652.18976	100.0
653.19305	11.8
722.56506	0.2
906.94690	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1041.3854
Annotation	Unknow
Peak:m/z	Relative Intensity
72.53977	0.1
72.67990	0.1
72.99201	0.4
73.02843	1.7
81.03358	0.1
83.01292	0.3
85.02838	1.9
85.99989	0.3
87.00773	1.6
87.04427	0.5
89.02342	2.6
89.03878	0.1
95.01276	0.2
95.04939	0.1
97.02855	0.1
99.00780	0.2
101.01694	0.2
101.02349	3.2
103.03932	0.7
105.03373	0.5
107.04912	0.2
109.02806	0.1
113.02365	1.8
115.01817	0.1
115.03941	0.6
117.03365	0.5
119.03413	1.4
121.02879	0.1
123.04476	0.9
125.02351	0.3
131.03447	1.3
132.02103	1.8
133.02887	27.4
134.03145	0.7
135.04453	10.9
136.04793	0.4
137.02367	0.3
143.03465	1.8
145.02875	0.2
145.05006	0.3
148.05247	0.1
149.06032	0.4
150.03165	0.1
153.05484	0.4
161.02397	90.3
162.02724	3.3
163.02837	0.1
163.06070	1.2
175.03967	0.1
177.05504	0.9
179.03459	3.1
180.03784	0.2
181.05096	0.3
185.28140	0.1
205.07147	1.6
221.04543	1.2
223.06001	0.2
227.03467	0.7
229.05115	0.2
243.03014	0.3
251.05475	0.1
255.02986	1.0
256.03574	0.2
257.04568	0.2
271.02567	0.5
281.06699	0.8
284.03305	1.1
285.04089	1.6
297.09888	0.5
299.02002	0.6
300.02905	0.3
306.28888	0.1
314.04285	1.0
315.05569	0.7
315.10934	5.7
316.11185	0.4
331.17734	2.0
373.18857	0.3
443.15857	0.1
461.16766	8.6
462.16946	0.9
477.14648	0.2
593.15271	2.4
594.15387	0.3
623.19977	100.0
624.20355	12.0
624.28442	0.1
625.20459	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1037.4109
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99187	0.0
73.02835	0.2
80.02556	0.0
81.03348	0.0
83.01273	0.2
85.02837	0.5
85.96246	0.0
87.00772	0.1
89.02343	0.6
93.03333	0.1
93.07000	0.0
95.01310	0.2
97.02843	0.1
99.00766	0.2
101.02348	1.1
103.05471	0.0
105.06960	0.0
106.04124	0.1
107.04966	0.0
108.02083	0.4
111.00800	0.0
112.01548	0.0
113.02364	0.7
119.03423	0.2
119.04962	0.1
121.02897	0.1
121.06513	0.1
122.03651	0.7
123.00840	0.0
123.04443	0.1
124.01567	0.1
125.02391	0.1
129.01802	0.0
129.03345	0.1
130.04181	0.2
131.03511	0.0
131.04944	0.3
133.02861	0.0
134.03671	0.1
135.04527	0.0
137.02367	0.1
139.03951	0.1
141.95735	0.0
143.03473	0.2
147.04468	1.2
148.05260	1.9
149.06021	100.0
150.06349	3.5
154.02724	0.1
159.02902	0.1
161.02409	0.1
161.04518	0.4
179.05576	0.1
191.07100	0.1
311.11539	0.2
315.18198	0.3
353.12479	13.9
354.12820	1.0
354.17212	0.0
477.23520	1.9
478.23782	0.2
639.28809	7.6
640.29193	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1036.3329
Annotation	Unknow
Peak:m/z	Relative Intensity
72.00815	0.5
72.01612	0.1
72.99205	0.5
73.02836	1.9
74.14970	0.1
75.00766	0.1
75.03546	0.1
77.03855	0.2
81.03347	0.1
83.01284	0.5
85.02840	2.2
85.99999	0.3
87.00770	2.0
87.04401	0.3
89.02344	3.9
89.03854	0.3
91.05448	0.5
93.03341	0.1
95.01299	0.3
97.02843	0.4
99.00792	0.6
101.02349	5.7
102.02740	0.1
103.03941	0.7
104.02605	0.3
105.03345	0.7
107.04949	0.2
113.02367	2.7
115.01807	0.4
115.03938	0.4
117.03378	0.8
119.03428	1.9
119.04872	0.1
123.04443	2.3
125.02385	0.9
129.01855	0.2
131.03427	1.8
132.02106	3.5
133.02882	42.8
134.03271	1.2
135.04448	15.0
136.04788	0.5
143.03477	0.8
145.46097	0.1
147.03304	0.1
147.04460	2.8
153.05508	1.8
154.05849	0.1
159.02861	0.3
160.01575	0.3
161.02393	99.1
161.04562	2.5
162.02730	3.8
162.04771	0.1
163.06036	0.6
164.07118	5.2
165.07462	0.4
179.03455	5.3
179.05550	0.8
180.03806	0.2
195.06593	0.2
205.07196	0.3
206.08203	3.0
207.08495	0.2
221.06674	2.9
233.06825	0.2
261.07761	0.1
263.07690	0.2
291.24658	0.1
297.09851	0.4
315.10919	1.9
316.11533	0.1
357.59769	0.1
459.15100	0.5
461.16794	2.0
461.23169	0.2
462.17215	0.2
477.16229	4.1
478.16626	0.4
605.21228	0.3
623.22040	7.6
624.22449	0.9
649.20789	0.1
785.25238	100.0
786.25543	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	1036.2971
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99194	0.7
73.02848	2.9
77.03867	0.3
81.03387	0.7
82.84208	0.3
83.01290	1.1
85.02849	3.5
85.99987	0.9
87.00777	3.8
87.04430	0.4
89.02340	3.6
89.03855	0.4
90.03394	0.5
91.01833	0.4
93.03387	0.9
94.02921	0.7
95.01303	1.5
96.95905	0.4
97.02857	1.0
98.20586	0.6
99.00768	1.1
101.02341	6.4
101.76714	0.3
103.03931	0.7
105.03389	1.7
106.02903	0.7
107.04929	1.0
109.02852	2.3
110.55937	0.3
111.00786	0.9
113.02380	3.1
115.01862	0.4
115.03989	0.3
117.03397	1.3
119.01277	0.5
119.03431	1.7
119.04936	0.5
120.00816	0.7
121.01596	0.3
121.02865	2.7
122.02390	0.8
122.03667	2.4
123.00786	0.3
123.03149	0.5
123.04446	1.7
125.02398	2.3
131.03442	2.2
132.02083	3.9
133.02882	38.7
134.02403	2.6
134.03639	5.1
135.04453	37.4
136.04782	1.1
137.02365	2.4
138.03133	0.5
139.03992	0.5
141.02058	0.3
143.03439	1.0
145.02916	1.3
146.03574	0.4
147.04459	1.6
148.01573	0.6
148.05232	1.0
149.02382	9.2
149.06020	7.0
150.01955	1.1
150.03163	22.2
151.03944	1.5
153.05528	0.4
159.02974	0.5
159.04504	0.4
160.01590	0.5
161.02393	66.9
161.04552	2.9
162.01906	2.5
162.02887	1.5
163.02678	0.6
163.03954	1.0
163.06108	0.5
164.03476	1.5
164.04745	5.4
164.05988	0.6
165.05505	0.6
174.03142	0.5
175.00343	3.3
175.03958	4.4
176.01105	2.8
177.01854	1.0
177.05540	3.9
179.03467	24.2
179.07039	1.2
180.02902	4.5
190.02695	14.7
191.03473	4.1
193.01463	0.4
194.04565	0.7
198.04160	0.7
200.09834	0.3
201.05525	0.8
203.03494	11.1
204.03896	0.7
205.05058	15.6
206.05696	1.5
207.03030	0.5
207.06610	0.4
208.03810	0.7
209.04523	0.7
217.05098	0.6
221.04535	1.4
221.06639	2.0
221.08292	1.2
223.06113	8.5
224.06546	0.4
237.07707	0.5
244.03874	0.5
245.04518	1.0
247.06192	0.4
250.04764	0.6
251.05667	0.6
265.07236	4.5
285.07471	0.4
295.08328	1.3
300.02823	0.3
301.03632	0.3
311.07956	0.5
315.10931	0.5
325.09457	1.5
367.10486	0.6
383.09882	0.4
413.10785	0.8
427.12558	7.3
428.12927	0.5
457.13586	0.4
461.16815	0.6
469.13367	0.3
506.14948	0.4
522.14838	0.6
612.58984	0.4
643.69275	0.3
649.18488	1.0
650.19086	0.9
651.19574	0.3
668.20483	6.1
675.21344	0.6
783.24011	0.8
812.23505	0.6
827.26532	0.7
830.23730	7.9
831.23914	1.0
855.25647	3.9
856.25513	1.0
874.26276	4.4
875.26544	0.5
946.31897	0.4
989.29456	10.5
990.30188	3.2
1029.68274	0.3
1036.29614	100.0
1037.29749	18.2
1038.68201	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1035.3892
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03848	0.2
81.03361	0.2
83.53849	0.2
85.02850	0.2
93.03360	5.3
95.01295	0.9
95.04942	0.5
96.95884	1.5
98.95476	0.3
105.03388	0.4
106.04144	0.2
107.04897	0.4
108.02079	1.1
109.02867	2.7
111.00782	0.4
115.19910	0.2
117.43924	0.2
118.36181	0.2
119.04921	0.3
121.02875	8.0
121.06525	0.2
122.03661	16.6
123.00784	1.8
123.04529	1.5
124.01583	1.3
125.02371	0.8
131.04962	0.3
132.02092	0.6
133.02888	2.8
134.03662	1.2
135.04433	1.4
135.08813	0.2
136.01591	7.7
137.02377	13.6
138.00293	0.2
138.03171	2.4
139.00278	0.4
139.03914	0.8
142.68494	0.2
145.02902	0.9
146.03647	1.2
147.00833	0.4
147.04468	0.7
148.01648	0.7
149.02383	31.5
149.05997	1.4
150.03165	100.0
151.00310	6.9
151.03957	11.4
151.66301	0.2
152.01079	1.2
152.04744	2.0
153.01888	0.7
153.05498	0.9
154.02647	0.4
158.03696	0.3
159.04462	0.6
160.01552	0.2
161.02370	2.1
161.06024	1.0
162.03175	1.9
163.03992	1.1
164.01093	0.8
164.04742	6.9
165.01892	29.9
165.05519	91.0
166.02667	18.6
166.05775	3.2
167.03430	2.7
168.04231	0.9
173.02451	0.3
173.06102	0.2
174.03166	0.3
175.03949	1.6
176.01183	0.3
176.04684	0.7
177.01894	1.8
177.05513	4.2
178.02620	0.8
179.03459	7.1
179.07072	4.8
180.04242	21.9
181.05022	27.0
182.05371	1.0
184.03726	1.0
187.03957	1.5
188.04744	0.4
189.05531	0.4
190.02707	0.5
190.06276	1.2
191.03526	1.2
192.04279	1.4
193.05020	2.1
194.05815	2.1
195.06604	78.6
196.06975	3.5
198.05484	0.2
202.06281	0.5
203.03442	0.6
204.04330	0.6
205.05049	4.1
205.08601	0.3
206.05777	0.7
207.06647	2.0
209.04533	0.6
209.08177	1.8
210.05286	3.5
211.06047	0.7
217.08788	0.2
219.06660	1.6
220.07425	3.1
221.08151	0.9
223.06003	0.3
225.07687	15.8
226.08011	0.7
233.08154	0.5
235.06441	0.3
235.09668	0.5
239.03642	0.3
253.05099	0.3
257.39792	0.2
266.05887	0.4
267.02991	0.2
282.05380	0.6
283.06174	0.3
285.07724	0.3
297.07672	0.5
299.09161	0.5
300.10034	0.3
304.18417	0.2
314.07925	0.5
315.08810	0.8
325.07242	0.5
327.08679	0.4
327.21686	0.2
329.10291	1.2
339.08688	0.7
341.10254	0.4
342.10861	0.3
343.11938	2.2
344.12411	0.3
355.11935	0.6
356.12616	0.3
357.09885	0.7
357.13635	0.5
358.10468	0.3
359.11334	0.4
371.11371	0.8
372.12164	1.3
373.13010	10.4
374.13257	0.8
377.00320	0.2
386.13760	0.8
387.10760	2.5
387.14685	4.0
388.11429	0.8
401.12366	0.4
402.13226	2.0
403.14063	5.1
404.14645	0.6
416.14984	0.9
417.15649	16.9
418.16006	1.7
421.15109	10.5
421.20825	0.5
422.15469	0.9
451.16266	0.5
471.16602	0.5
489.17987	0.2
505.14514	0.5
517.15308	0.3
520.17346	0.4
535.15448	1.8
536.16846	0.4
550.18384	1.2
551.19373	0.6
563.20081	0.2
564.20074	0.8
565.20935	21.8
566.21307	3.4
577.21216	0.5
583.21954	0.6
594.20892	0.6
595.21979	12.7
596.22357	2.2
599.21576	1.5
600.22034	0.2
612.22107	0.4
613.23035	13.9
614.23291	2.2
629.22888	0.2
643.24365	2.3
644.23883	0.3
649.22827	0.4
667.24811	0.3
743.27399	3.4
744.27460	0.7
773.28406	2.3
774.29529	0.4
791.29407	4.9
792.29468	1.1
803.29608	0.8
821.30579	3.3
822.30975	0.6
839.31281	4.4
840.31018	1.1
893.33234	0.4
939.34772	1.5
940.36206	0.5
969.36047	2.2
970.36731	0.6
987.36615	1.3
988.36951	0.5
999.35797	0.3
1017.37933	0.7
1035.38574	0.8
1036.39807	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1035.3899
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03868	0.3
77.65373	0.2
81.03358	0.6
82.44581	0.2
85.02838	0.3
89.02338	0.4
93.03357	4.8
95.01286	1.5
95.04927	0.7
96.95885	0.4
101.02323	0.5
105.03351	0.4
107.04945	0.7
108.02071	1.2
109.02866	3.9
111.00791	0.3
113.02374	0.3
119.04966	0.4
119.86001	0.2
121.02875	8.4
121.06475	0.3
122.03657	16.7
123.00817	2.7
123.04550	1.9
124.01566	1.0
125.02358	1.1
131.04979	0.5
132.02072	1.2
133.02872	5.7
134.03729	1.8
135.04459	4.3
136.01595	9.6
136.04779	0.5
137.02376	15.2
138.03195	3.1
139.00305	0.6
139.03938	1.1
145.02869	1.5
146.03676	1.7
147.04483	1.1
148.01593	0.9
149.02383	37.4
149.05995	2.5
150.03166	100.0
151.00314	8.9
151.03969	15.0
152.01096	1.5
152.04758	2.0
153.01906	1.2
153.05562	1.4
154.02577	0.4
155.03409	0.3
158.03629	0.3
159.04459	1.0
160.01566	0.4
161.02396	6.8
161.05997	1.0
162.03174	2.8
163.03964	2.2
164.01109	0.5
164.04747	9.1
165.01889	23.3
165.05519	85.2
166.02666	24.0
166.05768	3.1
167.03418	2.8
168.04240	3.2
173.02408	0.6
173.05930	0.3
174.03143	0.3
175.03955	2.6
176.01088	0.9
176.04665	0.9
177.01915	2.6
177.05519	5.8
177.07834	0.3
178.02730	1.6
178.04019	0.3
179.03459	8.2
179.07076	6.1
179.08571	0.5
180.04243	18.2
181.05025	32.5
182.05371	1.6
184.03716	1.7
186.74100	0.3
187.03960	2.6
188.04694	0.5
190.02678	0.6
190.06239	1.1
191.03484	1.6
191.07037	0.3
192.04256	2.5
193.05029	2.9
194.05823	1.8
195.06602	66.5
196.06966	3.1
202.02521	0.3
202.06375	0.6
203.03491	1.0
204.04245	1.0
205.05051	7.1
205.08720	0.4
206.05788	1.1
207.06621	3.2
208.06917	0.4
209.04573	0.7
209.08232	1.6
210.05290	2.8
211.06035	0.5
219.06645	1.5
220.07388	3.6
221.08131	0.8
223.06126	0.7
225.05473	0.6
225.07677	9.7
226.07985	0.6
235.06145	0.3
235.09599	0.3
239.03581	0.3
253.05026	0.5
265.04999	0.5
266.05807	0.5
267.06851	0.4
281.04626	0.6
282.05374	0.9
285.04117	0.5
296.06897	0.6
297.07739	1.0
299.06131	0.4
299.09344	1.1
300.06665	0.3
300.10031	0.7
309.07574	0.4
313.07309	0.4
314.08102	0.5
315.08762	1.2
323.09335	0.3
327.08862	0.6
328.09598	0.6
329.10440	1.8
341.10397	0.5
343.11954	4.2
344.12265	0.5
357.09659	0.5
357.13562	0.5
358.10477	0.5
359.11447	0.8
369.13608	0.4
371.11359	0.8
372.12378	1.4
373.12976	25.0
374.13260	2.2
385.13077	0.4
386.13849	0.5
387.09998	2.3
387.15118	3.5
388.11548	0.9
389.12094	0.3
401.12302	0.4
402.13242	2.3
403.14050	11.1
404.14462	1.5
415.14264	0.6
416.14728	1.6
417.15622	21.7
418.16025	2.1
421.15121	20.2
422.15649	2.1
471.16736	0.4
479.17093	0.3
489.17590	0.3
505.15201	0.4
520.17072	0.4
535.16528	2.6
536.16772	0.4
550.18665	1.7
551.19220	0.8
563.18933	0.3
564.20105	1.0
565.20898	38.1
566.21185	5.9
577.21454	0.5
581.20276	0.5
583.22034	0.7
594.21350	0.5
595.21960	22.6
596.22290	3.2
599.21490	0.8
613.23029	17.2
614.23401	2.9
625.23553	0.4
643.23969	1.7
649.23645	0.3
697.24738	0.4
711.48590	0.3
743.27356	3.1
744.28052	0.5
755.27997	0.3
773.28064	2.2
774.28333	0.3
791.29291	5.1
792.29932	1.2
803.28864	0.5
821.30444	2.6
822.30865	0.7
831.23071	0.4
839.31531	3.9
840.30798	1.1
845.30487	0.4
893.33398	0.4
939.34216	1.4
940.35321	0.4
969.35638	3.7
970.36328	1.4
987.36945	1.5
988.35535	1.0
999.36945	0.4
1017.37933	0.7
1035.35901	9.4
1036.36365	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	1035.3743
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99195	0.7
73.02837	4.7
75.00786	0.3
77.03870	0.3
81.03338	0.4
83.01271	1.5
83.04933	0.3
85.02843	5.8
85.99991	0.6
87.00774	5.4
87.04427	0.8
89.02338	10.0
89.03856	0.4
90.02687	0.2
92.36211	0.2
93.03340	0.2
95.01273	0.9
95.04938	0.4
99.00775	1.5
101.02347	12.8
102.02647	0.2
103.03909	2.1
104.02596	0.6
105.03367	0.9
107.04929	0.7
109.02842	0.3
111.00822	0.3
113.02354	7.0
117.03378	0.7
119.03415	5.4
120.05840	0.2
123.04441	5.4
123.05290	0.3
125.02371	3.0
129.01840	0.4
131.03427	5.0
132.02092	5.7
133.02882	60.0
134.03407	1.4
135.04446	26.9
136.04805	0.8
143.03435	2.9
145.05011	0.5
149.04523	0.3
152.04669	0.2
153.04271	0.3
153.05504	4.8
159.02950	0.7
160.01598	0.4
161.02391	100.0
161.04305	6.0
161.09633	1.1
162.02722	3.4
163.06064	2.2
163.11275	0.5
175.20036	0.2
179.03458	5.4
179.05559	2.1
179.07016	0.3
180.03850	0.3
187.11244	0.9
189.09167	0.7
195.06589	0.3
203.05582	0.7
205.07176	1.6
205.12419	0.4
207.10249	0.2
221.06657	7.4
222.07127	0.2
223.13341	0.4
233.06699	0.6
263.07733	0.3
267.12695	0.2
297.09796	0.9
315.10922	5.6
316.11005	0.4
428.51743	0.2
443.15646	0.6
445.02039	0.2
459.15158	2.3
461.16763	7.9
462.17041	0.5
477.16260	12.2
478.16574	0.9
479.94574	0.2
499.42221	0.2
589.45990	0.2
605.20874	1.1
623.22046	20.7
624.22559	2.0
738.19507	0.3
785.25195	5.0
786.26038	0.6
805.46631	0.2
811.34985	0.3
813.30780	0.4
855.33118	1.2
873.34180	66.7
874.34460	9.1
973.37866	0.6
975.35266	1.5
976.34778	0.4
1017.36005	1.0
1035.37354	79.1
1036.37610	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	1035.3738
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99200	1.2
73.02839	6.8
75.00775	0.6
75.67810	0.3
81.03362	0.5
83.01265	1.6
83.04928	0.5
85.02841	6.4
85.99982	1.3
86.30970	0.3
87.00769	6.7
87.04416	0.9
89.02339	13.1
89.03854	0.7
95.01294	1.3
95.04899	0.4
96.95938	0.7
98.19911	0.3
99.00791	1.3
101.02346	18.0
103.03929	2.1
105.03368	1.4
105.28065	0.3
107.04937	0.6
108.64967	0.3
109.02888	0.6
113.02359	8.0
117.03381	1.2
119.03421	7.1
121.02820	0.4
123.04438	7.0
125.02380	3.6
129.01898	0.4
131.03427	5.7
132.02107	5.5
133.02884	62.3
133.06494	4.4
134.03249	2.3
134.06880	0.4
135.04448	32.5
136.04779	1.3
137.02328	0.8
143.03447	4.2
145.02887	1.0
145.04988	0.7
148.05243	1.4
149.04521	0.4
149.05986	0.6
150.03111	0.7
151.00308	0.5
153.05525	5.0
154.05940	0.4
159.02969	0.9
160.01810	0.4
161.02393	100.0
161.04309	6.1
161.09653	1.0
162.02731	5.2
163.03989	2.8
163.06079	3.1
163.07582	1.4
163.11279	0.4
164.04669	0.7
165.01833	0.5
175.03952	0.4
177.05533	0.4
178.06306	2.0
179.03464	4.9
179.05565	3.4
179.06953	0.8
187.11279	0.8
189.09171	1.0
193.08606	2.0
194.04710	0.3
194.08989	0.4
195.06650	0.6
203.05573	1.1
205.07091	1.6
221.06665	9.6
222.07100	0.4
223.13362	0.8
227.03531	1.4
229.05161	0.7
233.06911	0.6
255.03050	3.6
256.03754	0.5
257.04623	0.5
263.07813	0.6
284.03369	4.9
285.04141	5.2
286.04346	0.5
297.09811	1.3
315.10910	7.3
316.11322	0.7
343.12885	0.4
443.15628	0.6
459.15201	2.5
461.16751	9.5
462.16901	0.7
477.16254	14.3
478.16367	1.1
553.11841	0.4
591.20703	1.8
592.21057	2.9
593.13080	10.5
593.21631	2.1
594.14154	1.6
605.21216	1.7
623.22040	23.2
624.22284	2.5
652.45789	0.3
750.17163	0.4
785.25391	4.6
786.25842	1.0
811.33154	0.4
813.31604	0.6
855.32874	2.2
873.34180	88.9
874.34479	14.8
973.36395	0.5
975.35736	1.9
991.36475	0.4
1017.36176	0.9
1035.37378	75.7
1036.37610	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	1023.3737
Annotation	Unknow
Peak:m/z	Relative Intensity
71.16071	0.2
73.02834	1.9
83.01281	0.8
85.02825	0.3
89.02330	0.4
93.03403	0.1
95.01276	0.2
101.02354	2.1
107.01306	0.7
113.02348	0.8
119.03410	0.2
120.02058	0.1
125.02410	0.2
131.03455	0.2
132.02052	0.5
133.02861	0.3
135.00839	0.5
135.04411	0.1
137.02348	0.1
143.03406	0.3
145.02876	0.1
149.04486	0.6
151.00317	1.6
152.01024	0.2
159.04478	0.1
161.02426	0.7
161.04456	0.7
162.50304	0.1
163.00343	0.6
164.01111	0.2
169.01340	0.2
169.06439	0.1
171.04422	0.2
178.99834	1.3
183.04507	0.4
185.06010	0.1
187.03963	0.3
189.05470	0.2
193.01337	0.1
196.45723	0.1
199.03922	0.2
200.04816	0.2
211.03986	0.8
211.97522	0.1
212.04700	0.2
213.01813	0.1
213.05531	0.2
221.06732	0.3
227.03502	22.8
228.03838	1.3
229.05025	1.1
239.03552	0.5
255.03023	45.2
256.03568	4.8
257.04529	0.9
281.04535	0.1
283.02567	0.4
284.03317	75.6
285.03937	11.7
286.04410	0.5
309.04086	0.2
326.04340	0.2
327.05170	0.3
399.07562	0.7
415.23532	0.2
563.14166	100.0
564.14508	10.9
564.23657	0.3
565.14807	0.2
961.30682	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1025.3902
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01270	4.0
72.99224	0.3
73.02827	1.0
83.01302	0.2
85.02843	1.5
86.00002	0.2
87.00796	0.8
87.04398	0.2
89.02337	2.4
89.03873	0.2
92.15755	0.2
97.02862	0.2
98.20659	0.3
101.02356	3.6
103.03936	0.3
107.04989	0.2
113.02362	2.3
115.03957	0.3
116.02635	0.3
117.03382	28.3
118.03712	0.8
119.03440	2.0
119.04938	3.6
123.04441	0.8
125.02354	0.8
131.03476	0.8
132.29803	0.2
133.02887	0.6
135.04454	11.5
136.04814	0.3
143.03479	1.2
145.02892	88.9
146.03235	2.8
147.03474	0.2
150.03171	0.2
153.05505	0.9
160.69707	0.2
161.02399	1.5
161.04520	0.6
161.06100	0.2
163.03979	2.1
163.06081	0.4
175.03915	0.2
177.05537	0.4
187.03952	0.2
198.27791	0.2
202.61014	0.2
204.04291	0.2
205.05357	0.2
205.07138	1.1
207.06549	0.3
209.08203	0.5
227.03259	0.2
230.81056	0.2
237.40216	0.2
249.07661	1.1
255.03143	0.3
261.07797	0.7
278.21417	0.2
279.08875	0.2
284.03317	0.4
285.04105	0.9
297.09909	0.5
315.10938	7.2
316.11127	0.5
331.17761	0.7
359.22006	0.1
373.19293	0.2
425.35507	0.2
443.15857	0.9
461.16791	10.2
462.17075	0.8
487.14612	1.1
593.15283	1.0
607.20459	100.0
608.20801	10.7
609.21301	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1021.4163
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01270	6.5
72.01614	0.1
72.99203	0.2
73.02835	4.0
75.00769	0.1
83.01276	1.1
85.02841	2.7
87.00759	0.5
89.02343	1.7
93.03362	0.1
95.01283	0.8
96.95942	0.2
97.02846	0.3
98.19743	0.1
99.00784	1.7
101.02347	5.2
111.00756	0.1
112.01577	0.1
113.02360	3.3
115.03932	0.1
119.03449	0.5
119.04964	0.2
121.02868	0.7
122.03692	0.4
125.02343	0.5
129.01834	0.1
131.03419	0.3
133.02913	0.8
133.06508	0.9
134.63144	0.1
135.04385	0.4
136.04857	0.1
137.02325	0.1
143.03439	0.7
147.04472	1.5
148.05238	100.0
149.02319	0.1
149.04370	0.2
149.05562	3.4
150.03214	0.2
159.02921	0.5
161.02493	1.3
161.04500	5.9
162.02763	0.2
162.04758	0.2
163.07593	87.1
164.04654	0.1
164.07922	3.1
165.05455	0.1
179.03529	0.1
179.05547	0.2
179.07143	0.1
193.08739	0.1
203.05602	1.5
203.07430	0.1
230.13031	0.1
247.09590	0.1
249.15039	0.2
271.02582	0.1
284.03516	0.1
289.10858	0.1
292.80771	0.1
300.02921	0.1
301.03708	0.1
315.18188	1.5
325.13040	0.3
367.14059	2.7
368.14374	0.3
447.22446	6.3
448.22754	0.4
477.23370	0.9
593.12952	0.2
599.21356	0.1
609.27759	32.1
610.28137	3.6
610.38171	0.1
623.19885	0.1
639.29279	0.1
825.30280	0.1
859.34967	0.4
1021.39154	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1021.2833
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01252	0.3
71.31309	0.2
83.01266	0.2
85.02844	0.2
87.33093	0.1
93.03434	0.1
95.10014	0.1
101.02356	0.2
107.01276	0.2
108.38951	0.2
117.03374	0.2
118.51816	0.1
119.04939	0.2
133.02879	0.4
135.04430	1.8
137.02376	1.1
138.03142	0.3
143.05011	0.2
145.02907	1.1
148.86705	0.1
151.00317	1.3
152.01108	0.2
154.02148	0.1
155.04929	0.2
161.02394	1.7
161.05887	0.1
161.83720	0.1
162.93770	0.1
163.03955	2.0
164.04739	100.0
165.05070	3.8
175.04037	0.2
176.37212	0.1
178.99971	0.8
179.07098	97.9
180.07431	3.6
183.04495	0.4
185.02390	0.2
187.04031	0.3
199.03995	1.8
201.01910	0.3
203.03529	0.2
211.04016	0.2
215.03488	0.7
227.03496	2.0
228.03822	0.2
242.02213	1.7
243.03008	10.6
244.03482	0.7
255.03009	3.7
256.03494	0.2
257.04562	2.2
270.01755	1.8
271.02530	13.3
272.02921	1.3
284.03238	0.2
285.04111	4.1
286.04843	1.4
287.05396	0.2
299.02036	22.2
300.02652	4.2
313.03366	0.3
314.04391	31.8
315.05063	5.8
341.12531	0.2
356.05676	0.2
357.06448	0.2
383.13541	24.3
384.13882	1.6
429.08417	0.2
593.15198	60.2
594.15521	6.7
607.20264	0.5
623.19830	0.3
625.21381	0.1
877.71698	0.2
946.51398	0.2
1021.32007	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1011.3369
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02837	0.3
83.01262	0.3
88.10712	0.2
93.03354	0.7
95.01327	0.1
101.02345	0.3
107.01275	1.0
109.02866	0.4
117.03354	0.4
119.03396	0.2
132.02094	0.3
135.00769	0.7
135.04439	0.2
137.02271	0.2
143.04976	0.4
145.02888	0.6
151.00328	1.4
153.01884	0.2
154.04128	0.2
157.06564	0.3
159.04440	0.5
161.02412	0.4
161.04507	0.5
163.00299	1.5
165.01859	0.5
167.04996	0.2
169.01428	0.4
169.06517	0.4
171.04428	0.3
173.05986	0.2
174.03171	0.3
178.99828	0.3
182.03642	0.2
183.04439	0.3
185.06056	1.3
186.06302	0.2
187.03983	1.4
189.05562	0.5
195.04453	0.4
196.05220	0.3
197.06039	0.6
199.03969	0.7
200.04543	0.2
201.05600	0.4
211.03976	1.1
212.04718	0.2
213.05560	1.2
214.02602	0.2
215.03471	0.3
227.03503	13.9
228.03946	1.5
229.02791	0.3
229.05075	6.1
230.05424	0.6
239.03534	1.0
240.04247	0.6
241.05040	1.2
243.02916	0.3
255.03023	28.6
256.03610	3.5
257.04590	4.0
258.05066	0.2
267.03043	0.6
283.02484	0.2
284.03326	44.5
285.04080	61.0
286.04462	4.3
287.04453	0.2
327.05099	0.9
328.46027	0.2
331.17511	1.2
373.18845	0.3
457.39343	0.2
593.15228	100.0
594.15546	14.1
595.15845	1.4
607.20575	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1019.3795
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01270	9.5
71.04903	0.2
72.99194	0.8
73.02833	3.0
75.01205	0.2
80.54346	0.2
81.03361	0.3
83.01299	1.0
83.04919	1.4
85.02839	3.4
85.99987	0.4
86.23394	0.2
87.00764	4.1
87.01271	0.3
87.04409	0.3
89.02337	8.4
89.03898	0.6
93.03357	0.5
95.01301	0.8
95.04934	0.7
97.02848	0.9
98.20471	0.3
99.00808	1.2
99.04422	0.3
101.02346	8.8
101.03012	0.5
103.03921	1.1
104.02592	0.3
105.03368	1.0
105.07019	0.6
107.04954	1.3
113.02357	6.1
115.01840	0.5
115.03935	0.7
117.03394	1.3
119.03428	4.2
119.04923	3.1
120.05756	1.3
123.04443	0.8
125.02379	2.4
131.03429	2.2
132.02086	4.8
133.02882	56.1
134.03278	1.5
135.04443	15.9
135.08063	0.4
136.04791	0.7
137.06010	1.0
143.03467	2.6
143.08551	0.3
145.04979	0.3
146.07297	0.2
147.08125	0.3
148.05202	3.4
149.04594	0.4
149.05997	0.5
152.04720	0.3
159.02943	0.3
159.08151	0.3
160.01607	0.4
161.02390	100.0
161.04550	4.1
161.09662	4.2
161.13341	0.8
162.02725	4.3
163.06059	1.9
163.07610	2.6
163.11244	1.8
167.03333	0.2
179.03458	5.4
179.05559	2.0
180.03862	0.4
187.11267	4.4
188.11646	0.3
189.09172	2.2
203.05606	0.8
203.10777	0.3
205.07063	1.2
205.12332	1.0
207.10281	0.7
221.06635	2.4
223.13431	0.3
233.06662	0.8
245.06764	0.7
247.23055	0.3
249.11375	0.8
263.07672	0.3
281.10434	0.3
299.11404	2.8
316.57629	0.3
391.23590	0.2
443.15683	0.7
445.17203	3.3
446.18356	0.3
461.16818	2.5
477.16296	0.4
607.22437	2.4
608.26282	0.2
623.22827	0.2
639.19324	2.7
640.19690	0.3
707.18555	0.8
769.25623	3.2
770.26123	0.6
839.33417	0.7
857.34662	55.7
858.34985	10.4
957.39331	0.5
959.35114	0.8
960.34900	0.4
1001.36682	0.6
1019.37878	48.5
1020.38153	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	1007.3431
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01271	9.7
71.57848	0.2
72.99195	0.8
73.02837	3.6
75.00768	0.4
77.03861	0.4
81.03361	0.3
83.01277	1.1
85.02837	3.9
85.99982	0.4
87.00779	3.5
87.04420	0.3
89.02345	5.1
89.03895	0.5
89.68095	0.2
91.05450	0.3
95.01310	0.5
95.04926	0.2
96.95919	0.7
97.02844	0.5
99.00781	0.9
101.02348	8.1
103.03921	1.2
104.02563	0.4
105.03369	0.8
109.02847	0.4
113.01610	0.4
113.02361	4.4
115.01822	0.5
115.03928	0.7
117.03387	1.3
119.03423	2.6
119.04932	0.3
121.02886	0.2
123.04440	4.0
125.02405	2.0
131.03438	2.9
132.02098	4.2
133.02884	51.3
133.10182	0.3
134.03326	1.5
135.04449	23.1
136.04779	0.9
137.02388	0.3
143.03438	1.7
145.02890	0.6
145.05011	0.4
146.54005	0.2
149.02383	0.2
149.04478	0.2
149.06044	0.5
153.05522	3.1
153.85277	0.2
159.02930	0.5
160.01553	0.3
161.02393	100.0
161.04562	2.7
162.02728	4.3
163.04012	0.5
163.06075	1.0
166.87137	0.2
168.15219	0.2
175.03964	0.3
177.01869	0.3
177.09198	0.7
179.03474	6.6
179.05551	1.1
191.05455	0.2
195.10309	0.3
203.03658	0.4
203.05632	0.9
205.05351	0.3
205.07097	0.9
221.06642	4.0
233.06754	0.5
243.02910	0.2
261.07764	0.2
297.09879	0.7
299.02161	0.2
315.10941	3.0
443.15891	0.4
449.08762	0.5
459.15039	1.2
461.16812	3.2
462.16983	0.5
477.09686	0.4
477.16220	5.4
478.16632	0.4
522.73914	0.2
605.20605	0.9
607.21381	0.2
623.21979	11.8
624.22632	1.4
767.24194	0.3
783.31042	0.6
784.32208	0.2
785.25183	6.4
786.25787	0.8
801.32587	2.0
802.32550	0.3
815.29474	1.0
827.16034	0.3
827.30188	3.1
828.30060	0.4
845.31030	20.6
846.31329	3.5
933.34698	0.8
945.34003	3.5
946.34796	0.6
963.35266	14.4
964.35626	2.9
968.56042	0.2
977.34241	1.2
978.33142	0.3
989.33307	3.7
990.33716	0.7
1007.34283	23.9
1008.34637	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	1006.2856
Annotation	Unknow
Peak:m/z	Relative Intensity
70.80013	0.4
71.01271	9.0
71.56551	0.5
71.56950	0.4
72.99195	0.7
73.02839	4.1
81.03378	0.5
82.13290	0.3
83.01293	1.2
85.02849	4.6
85.99960	0.5
87.00776	3.8
87.04443	0.5
89.02345	4.4
89.03887	0.7
93.03381	0.8
94.02895	0.8
95.01302	1.3
95.04955	0.5
96.95895	0.8
97.02859	1.1
99.00787	1.1
101.02355	6.1
103.03931	0.9
104.02567	0.5
105.03382	1.3
106.02879	0.6
107.04929	0.9
108.02101	0.5
109.02873	2.8
111.00801	0.8
112.81594	0.4
113.02357	2.9
115.03922	0.6
117.03372	2.2
119.03429	1.6
119.04940	0.9
121.02891	1.7
122.02385	1.0
122.03667	2.3
123.00804	0.7
123.03189	0.5
123.04437	2.1
123.59065	0.5
123.62463	0.4
125.02370	3.1
129.01804	0.4
131.03464	2.4
132.02116	5.5
133.02887	44.8
134.02419	2.7
134.03659	15.7
135.04453	42.3
136.04796	1.4
137.02380	2.9
137.03415	0.4
138.03160	0.6
139.03957	1.0
143.03430	1.2
145.02911	1.6
147.04456	2.0
148.01602	0.7
148.05258	1.4
149.02393	3.3
149.06029	24.7
150.01944	1.7
150.03163	24.9
150.06360	2.5
151.00298	0.4
151.03908	1.0
153.01891	0.6
154.02693	0.5
155.36055	0.4
159.04417	0.8
160.01613	16.1
161.02396	82.5
161.04568	2.5
162.01891	3.2
162.02861	2.2
163.02611	0.4
163.03966	0.5
163.06116	0.7
164.03499	1.3
165.05406	0.5
173.06111	0.9
174.03152	1.0
175.03969	29.9
176.04619	2.5
177.01959	1.2
177.05531	4.6
178.02724	1.3
179.02304	1.2
179.03473	29.6
180.02853	4.1
181.05045	0.6
189.05498	0.6
191.07121	2.4
193.05052	12.2
194.05330	0.5
198.04044	0.9
201.05492	0.8
203.01572	0.8
203.03500	13.1
203.05460	0.4
204.03862	0.6
205.05092	0.6
207.06606	1.0
215.03464	0.6
217.05112	0.5
221.04568	3.1
221.06725	2.6
235.06157	6.2
236.06528	0.4
245.04608	1.6
255.03055	1.2
265.07233	1.4
271.02512	0.8
284.03140	0.5
285.04153	1.2
295.08322	2.5
300.02829	1.3
304.75513	0.4
315.10767	0.5
327.08752	0.5
353.12503	1.7
354.12848	0.6
383.09906	1.4
397.11496	11.2
398.12006	1.0
607.20776	0.8
608.20624	0.9
609.12866	3.5
619.16907	1.3
650.19562	1.1
668.20752	5.6
669.21136	0.9
783.23822	0.8
797.25494	0.6
807.24255	0.6
825.24713	4.2
826.25494	0.5
830.23895	6.0
831.23529	0.8
844.25616	4.7
959.28375	11.2
960.28790	3.1
1006.28607	100.0
1007.28937	23.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1005.3272
Annotation	Unknow
Peak:m/z	Relative Intensity
70.43707	0.1
70.44054	0.3
71.01265	1.2
72.99218	0.2
73.02839	0.3
78.48052	0.1
83.01308	0.2
85.02851	0.3
87.00774	0.3
87.04421	0.1
89.02334	0.7
90.40145	0.1
93.03384	0.1
95.01308	0.2
97.02843	0.2
99.00788	0.3
101.02352	1.2
105.03344	0.1
108.02097	0.3
113.02366	0.4
115.03906	0.1
117.03381	5.9
118.03699	0.1
119.03458	0.7
119.04947	1.3
121.02865	0.2
122.03653	0.4
123.04451	0.2
125.02400	0.2
130.04140	0.1
131.03452	0.3
131.04951	0.2
133.02849	0.4
133.06531	0.3
134.03650	0.2
135.04454	3.8
135.12199	0.1
136.04718	0.1
137.02417	0.1
139.03944	0.1
143.03450	0.4
145.02895	23.6
146.03250	0.8
147.04454	1.8
148.05243	1.8
149.06024	100.0
150.06360	3.8
153.05482	0.2
154.02672	0.1
154.62756	0.1
161.02393	0.7
161.06021	0.6
163.03981	0.8
177.05492	0.1
179.03386	0.2
179.05690	0.1
191.07101	0.6
199.13269	0.2
205.05054	0.6
205.07149	0.3
215.07169	0.2
229.89003	0.1
245.08162	0.1
265.07248	0.3
271.02820	0.1
293.10446	0.9
300.02643	0.1
311.11444	12.6
312.11780	0.8
313.03644	0.1
315.10959	2.2
316.11295	0.2
353.12494	8.7
354.12872	0.6
358.79800	0.1
364.21613	0.1
449.69342	0.1
461.16736	2.8
462.16953	0.3
607.20471	34.9
608.20868	4.4
653.14990	0.1
717.51385	0.1
961.25586	0.2
1005.33289	0.1
1006.30023	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	1002.6084
Annotation	Unknow
Peak:m/z	Relative Intensity
69.65390	0.5
69.65817	0.4
78.95791	26.1
91.46149	0.1
92.45926	0.1
96.96858	2.0
98.20554	0.1
102.04247	0.1
134.76688	0.1
150.97971	0.4
152.99524	38.0
153.99849	0.5
171.00587	11.0
172.00993	0.1
184.29997	0.1
227.03244	1.9
245.04340	48.8
246.04646	1.3
253.21758	20.0
254.22121	1.1
481.25800	100.0
482.26151	8.5
506.39624	0.1
528.71179	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	1003.3478
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01268	2.9
72.99200	0.4
73.02844	0.6
83.01286	0.3
85.02825	0.7
87.00778	0.4
87.04453	0.2
89.02338	3.6
92.61797	0.1
95.01260	0.3
96.95922	0.2
98.19765	0.3
101.02350	3.2
105.03380	0.5
113.02371	1.1
115.01795	0.3
115.03941	0.3
117.03368	1.1
119.03419	2.7
123.04477	0.3
131.03424	0.4
132.02113	1.8
133.02881	33.6
133.06480	1.2
134.03154	1.1
135.04448	13.6
136.04785	0.5
137.02403	0.2
143.03442	0.6
145.02870	0.2
148.05241	9.4
149.05606	0.3
160.01634	0.2
161.02390	100.0
162.02737	3.8
163.03960	0.4
163.07587	8.5
164.07973	0.3
179.03467	0.7
179.05511	0.3
195.06635	0.2
205.07106	0.4
225.07826	0.2
226.07993	0.2
233.04514	0.2
429.17413	0.3
432.22531	0.2
451.08142	0.2
591.20953	88.8
592.21326	11.4
671.31976	0.2
913.14697	0.2
1026.25232	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	993.593
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07055	0.1
70.06577	0.1
71.07368	2.1
71.60101	0.1
79.05481	0.2
81.07035	0.3
85.72930	0.0
86.09698	26.3
87.10017	0.3
91.05473	0.1
93.07030	0.2
95.08596	0.2
98.97940	0.0
98.98454	1.9
104.10737	2.5
107.08605	0.1
109.10146	0.1
112.45375	0.0
116.99487	0.1
121.10140	0.1
124.99994	17.7
126.00331	0.1
143.01038	0.4
153.85393	0.1
163.01537	0.1
166.02620	0.2
184.07326	100.0
185.07703	1.0
212.40587	0.1
258.11050	0.2
335.25827	0.2
484.93478	0.1
500.31323	2.0
501.31296	0.1
518.32404	25.9
519.32709	1.2
790.30402	0.1
913.47052	0.1
919.11823	0.1
970.80255	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	997.6246
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07057	0.1
70.06593	0.1
70.85853	0.1
70.86184	0.1
71.07369	2.0
79.05489	0.1
80.97385	0.1
81.07046	0.3
83.08608	0.1
86.09698	25.2
87.10039	0.1
91.05475	0.1
93.07011	0.1
95.08595	0.2
96.97177	0.1
98.98452	1.9
103.61565	0.1
104.10739	2.4
104.27071	0.1
109.10160	0.1
111.82175	0.1
124.99995	17.6
143.01036	0.3
163.01521	0.1
166.02658	0.1
184.07324	100.0
185.07658	0.4
198.62099	0.1
200.55658	0.1
218.45737	0.1
241.57303	0.1
248.30049	0.1
258.11029	0.2
337.27411	0.2
502.32932	1.8
520.33954	26.5
521.34424	0.5
597.49237	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	984.5575
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03410	0.2
69.07070	7.6
70.42075	0.1
71.04981	0.5
71.08619	0.5
73.49331	0.1
79.05056	0.2
79.05495	3.7
81.07057	15.2
83.04980	0.4
83.08617	5.2
83.09114	0.3
85.06546	0.4
85.10187	0.2
91.05474	2.4
93.07046	4.0
95.04944	0.4
95.08606	12.6
97.06518	1.1
97.10166	2.8
98.06055	0.2
98.98454	0.2
99.08073	0.5
105.07032	1.9
107.08589	2.5
109.06528	0.2
109.10160	4.6
111.08088	0.6
111.11708	0.5
113.09666	0.1
119.08576	1.9
121.10139	2.3
123.08075	0.4
123.11699	2.3
124.01607	0.3
125.09625	0.4
131.08594	0.2
133.10141	1.8
135.11699	1.3
137.09634	0.4
137.13249	0.8
139.11189	0.2
147.11682	1.2
149.13211	0.6
151.11166	0.2
151.14859	0.3
153.12735	0.2
161.13263	0.8
163.03908	0.2
163.14845	0.6
165.12759	0.2
175.14833	0.7
177.16389	0.3
189.16367	0.2
193.15843	0.1
198.05293	0.5
216.06316	0.9
229.74458	0.2
245.22591	0.4
246.09959	0.1
263.23618	0.7
277.81494	0.1
306.27948	2.5
337.27356	100.0
338.27704	3.4
382.51593	0.2
419.68506	0.1
460.28198	0.9
478.29318	5.7
478.98148	0.1
479.29453	0.2
683.86163	0.2
1016.86151	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	981.5371
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03422	8.2
69.07056	16.3
69.71490	3.8
69.71896	12.1
71.04984	11.0
73.02903	7.2
79.05491	63.0
79.26403	1.9
81.03416	69.2
81.07055	84.0
83.04977	7.0
83.08610	24.9
83.69413	1.9
85.02898	29.2
85.06530	5.5
91.03953	18.9
91.05476	56.5
92.06266	3.3
93.07042	79.8
95.04958	27.7
95.08604	57.7
97.02882	17.7
97.06516	9.9
97.10172	8.6
98.20829	3.5
99.08068	4.0
101.83236	2.5
105.07027	46.5
106.07807	2.6
107.04935	7.5
107.08585	31.8
109.06512	7.3
109.10153	68.2
111.08096	10.7
117.07014	14.7
119.08582	43.7
120.09409	2.2
121.06515	5.8
121.10140	30.1
123.08059	4.5
123.11707	8.5
123.62772	2.3
124.65835	1.9
125.09611	6.7
127.03881	6.0
128.06209	2.1
129.05487	4.5
129.07056	12.0
131.08575	28.7
132.08031	2.0
133.06456	2.9
133.10107	27.6
134.10909	3.2
135.08102	3.5
135.11731	14.8
137.09598	6.4
137.13240	5.7
143.08507	5.4
145.04944	9.1
145.10097	17.9
147.08008	4.2
147.11690	23.5
149.09573	10.9
149.13260	7.4
155.08562	3.5
157.10156	13.5
159.11687	16.0
161.09625	2.1
161.13271	13.1
163.05968	10.0
163.11151	3.3
163.14844	3.0
165.12698	4.2
169.10141	3.1
171.11674	6.8
173.11723	14.5
173.13261	9.2
175.11206	8.8
175.14827	5.6
175.45201	2.2
177.12856	2.3
179.14415	2.6
185.13220	6.2
187.14807	6.8
189.11215	3.3
193.12222	21.2
195.11832	2.8
197.13158	2.5
199.14828	2.9
201.16394	3.9
201.75470	2.4
203.14278	2.9
216.43880	2.4
225.14835	4.8
227.12804	7.4
229.14299	41.2
241.19476	3.4
243.21098	6.7
249.14906	2.9
259.20557	10.0
261.22128	17.6
267.15903	100.0
275.20099	2.8
277.21594	2.7
283.20471	2.3
299.18582	7.0
299.23773	2.7
301.25256	3.4
310.24377	2.4
315.18164	2.8
315.23111	3.6
317.24524	3.1
333.24158	8.3
335.25803	90.2
337.44827	2.1
351.25317	3.9
362.18057	21.1
380.24380	20.0
421.25699	4.3
435.27304	3.0
435.32410	4.6
453.33688	4.4
471.34702	4.2
489.35776	21.0
507.36453	3.3
509.36179	3.3
525.35748	7.8
526.36682	2.5
527.37292	43.8
543.36871	21.5
544.37506	3.6
544.69061	2.6
545.38379	37.3
572.35608	6.3
576.40222	4.6
590.36639	6.4
622.39026	9.1
740.56927	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	980.3386
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03438	0.8
70.06606	0.2
71.04993	1.5
71.11422	0.2
71.11778	0.2
73.02910	0.2
78.04729	0.2
81.03422	1.9
83.04985	0.5
85.02417	0.2
85.02901	2.7
88.05817	0.1
89.03912	3.7
91.05470	0.3
95.04965	0.2
97.02891	1.0
99.04453	0.4
106.04112	0.1
107.04955	0.4
107.36060	0.1
109.02878	1.2
111.04438	0.4
117.03378	10.5
119.04899	0.2
123.04401	0.2
124.05194	0.2
127.03905	0.8
129.05472	0.6
134.03619	0.6
135.04413	2.7
137.05975	0.8
138.33232	0.1
145.02841	39.0
146.03156	0.4
147.04414	0.4
147.06467	0.2
149.05977	4.0
151.03839	0.2
158.06015	0.1
163.03903	22.4
164.04198	0.3
177.05466	100.0
178.05829	1.2
181.04912	0.6
186.05479	1.6
189.05367	0.2
191.07094	0.2
193.05112	0.1
195.06508	1.7
217.08559	0.1
237.07623	0.3
245.08170	0.2
259.09674	0.2
269.07953	0.2
287.05832	0.2
287.09131	0.5
291.08548	0.4
303.08609	0.7
305.10071	0.6
307.08023	0.2
309.09399	0.6
321.09708	3.5
323.11288	1.3
325.09171	3.9
331.11716	0.1
339.10760	9.7
378.70215	0.1
431.13281	0.3
435.13013	0.2
449.14343	0.2
471.14981	0.3
485.16266	0.4
501.13919	0.6
809.24158	0.3
921.83453	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	969.568
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05177	0.2
67.05506	3.4
69.06723	0.2
69.07072	3.2
69.47809	1.1
71.04989	0.3
71.08633	12.3
71.63841	0.1
75.04479	0.3
78.88818	0.1
79.05496	0.3
81.07059	5.4
83.04974	0.1
83.08624	4.7
85.06532	0.3
85.10182	8.1
87.04401	0.2
88.27411	0.1
89.06039	1.4
93.07023	0.4
95.08612	8.1
97.06505	0.3
97.10169	2.6
98.97855	0.2
98.98476	3.2
99.08091	0.2
99.11735	0.3
101.06039	0.3
103.07568	0.9
107.08623	0.3
109.10155	4.4
111.08043	0.2
111.11720	0.4
117.09113	0.3
121.10124	0.2
123.11722	1.5
125.13303	0.3
135.11691	0.3
137.13245	0.7
139.14856	0.2
145.12279	0.2
149.13260	0.2
149.50633	0.2
151.14796	0.3
153.12672	0.2
155.01041	1.3
165.16440	0.2
173.02155	0.4
173.15408	0.2
219.31932	0.2
221.22711	0.2
239.23744	1.0
247.05824	0.2
257.24713	1.5
262.72855	0.1
298.27261	0.3
313.27362	100.0
314.27707	2.3
326.17148	0.2
393.23965	0.4
449.26669	2.4
463.85526	0.1
851.79816	0.2
908.48596	0.2
969.47717	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	965.5359
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05502	2.2
69.03393	0.1
69.07065	16.4
70.07384	0.1
70.69802	0.1
70.70149	0.3
71.05000	0.2
71.08628	4.4
73.02921	0.2
73.06544	0.2
75.04472	0.2
79.05485	1.6
81.06572	0.2
81.07050	3.5
83.04971	0.4
83.08614	16.6
85.06565	0.2
85.10173	2.2
91.05489	0.1
93.07043	2.1
95.08601	2.5
97.06528	1.5
97.10164	12.1
98.21475	0.1
98.98458	5.5
99.08089	0.1
107.08587	1.6
109.10159	1.0
111.08063	0.7
111.11711	3.6
115.07579	0.2
116.99545	0.1
121.10132	2.5
123.11722	0.6
125.09625	0.5
125.13232	0.7
135.11688	1.8
136.99966	0.2
137.13249	0.3
139.11165	0.5
139.14755	0.1
140.01059	0.1
149.13216	0.8
153.12759	0.3
155.01028	2.6
163.14832	0.5
167.14418	0.2
173.02094	0.8
177.16304	0.2
211.03799	0.1
219.21078	0.5
229.04716	0.3
237.22186	0.6
237.24196	0.1
247.05684	0.6
311.25778	100.0
312.26144	1.2
318.83936	0.1
391.22354	0.3
447.25064	5.2
465.26163	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	966.5783
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05503	39.8
68.05010	1.3
69.03075	0.4
69.03426	4.5
69.07066	15.7
70.02959	2.7
70.06568	1.5
71.01335	0.5
71.04996	2.0
72.04496	0.4
72.08151	0.6
73.02921	2.6
77.03907	1.2
79.05491	35.9
80.04574	0.8
80.05016	14.4
81.03051	0.4
81.03426	3.7
81.07054	42.6
82.06577	6.2
83.01322	0.4
83.04963	1.4
83.08211	0.4
83.08618	5.0
84.04473	0.8
84.08110	0.4
85.02428	0.6
85.02901	9.5
85.06534	1.0
91.03952	3.9
91.05477	25.0
92.04993	1.2
93.05772	1.4
93.07040	35.9
94.06566	6.0
95.04965	8.5
95.08602	18.8
96.04475	0.6
96.07555	0.5
96.08129	6.3
97.02292	0.4
97.02893	8.4
97.06527	5.3
97.10148	1.5
98.06039	0.9
98.21684	0.4
99.04439	0.9
99.08032	0.8
101.02370	0.6
103.03938	0.4
103.05477	0.8
105.04488	1.2
105.07025	13.5
106.06548	4.1
107.04932	1.6
107.07322	1.3
107.08590	14.3
108.04450	0.4
108.08124	2.8
108.08814	0.5
109.02855	1.1
109.06488	1.9
109.10150	6.5
110.06041	0.6
110.09703	1.7
111.08053	1.2
112.07570	0.5
114.09124	1.0
115.03932	0.4
115.05432	1.3
116.06224	0.7
117.07006	9.8
118.06535	2.5
118.07801	0.4
119.07254	0.5
119.08576	7.4
120.08092	4.1
121.06471	0.6
121.08876	0.5
121.09248	0.5
121.10136	7.5
122.06007	0.4
122.09647	1.2
123.08031	0.6
123.11678	1.3
126.09161	0.5
127.03922	3.0
128.06204	1.0
128.10857	0.3
129.07043	2.3
130.06499	1.3
131.08565	9.7
132.08093	3.6
133.09009	0.6
133.10120	6.0
134.09685	3.5
135.08054	0.7
135.11699	4.8
137.09653	0.4
138.09088	0.5
141.07030	0.3
142.07697	0.4
143.08549	2.0
144.08072	1.0
144.09273	0.7
145.04927	1.3
145.08984	0.6
145.10104	3.3
146.09651	2.1
147.10425	0.9
147.11678	2.4
148.11197	2.6
149.09657	0.7
149.13246	6.7
152.00822	0.4
155.08595	0.6
157.10100	1.4
158.09621	0.8
159.11679	7.0
160.11194	1.6
161.12042	0.4
161.13234	1.2
162.08997	0.5
162.12778	1.5
163.06046	0.6
163.14848	0.4
164.14342	0.7
165.12714	0.6
166.15948	0.8
170.11783	1.1
171.11717	0.8
172.06111	0.5
172.11285	0.4
173.13297	0.9
174.12784	1.1
176.14337	5.1
177.12741	100.0
178.13054	1.2
184.11221	0.4
186.12784	0.3
187.14815	0.5
190.15804	0.3
192.13814	1.1
194.15402	57.1
195.15762	0.7
204.13750	2.5
206.15282	0.4
212.16443	5.2
221.62302	0.3
221.99533	0.4
222.14934	4.2
232.16975	0.6
236.32758	0.4
241.10774	0.5
248.16258	0.4
250.18045	2.0
251.16452	1.5
261.22235	1.2
268.19064	4.3
270.18497	0.4
272.20084	5.8
273.18262	0.3
278.17505	3.9
286.20108	0.9
290.21133	32.9
291.21420	0.8
308.22205	9.7
320.18652	0.4
335.25793	17.9
336.25940	0.7
346.23764	4.5
364.24829	12.6
382.25903	1.1
463.61328	0.4
508.28912	0.6
511.37790	2.9
528.40369	1.0
529.39111	1.4
538.39185	1.1
546.41559	4.9
555.39905	0.4
556.40503	0.5
606.44592	0.4
624.46191	91.0
625.46576	3.3
636.43365	0.5
642.47272	25.4
643.47626	0.9
655.29865	0.4
690.45441	0.6
768.49902	1.4
786.51489	17.6
787.51379	1.3
804.52722	3.6
870.53851	0.5
922.19159	0.4
930.55347	0.6
948.56812	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	954.6148
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05507	45.0
69.03424	1.8
69.07070	9.7
70.81701	3.0
71.04988	1.7
71.08664	1.1
73.02916	3.2
79.05492	30.0
81.03410	1.4
81.07057	47.8
83.04985	1.1
83.08619	7.3
85.02896	12.1
85.06541	1.9
91.03974	9.6
91.05474	19.2
93.07044	37.9
95.04960	3.3
95.08605	42.3
97.02888	8.2
97.06519	2.2
97.10180	2.1
99.08096	1.4
105.07031	13.6
105.26189	0.8
107.08598	20.7
109.06524	1.1
109.09455	1.4
109.10161	19.6
111.08006	1.4
117.07034	5.5
119.08580	12.6
121.10147	17.6
123.08076	1.2
123.11687	7.9
127.03918	3.7
129.07002	1.6
131.08568	12.2
133.10115	12.5
135.11687	14.0
137.09579	1.1
137.13263	1.5
141.78679	0.8
143.08545	1.9
145.04938	6.1
145.10139	10.0
147.11678	10.9
149.13249	7.5
151.11189	1.0
152.03543	0.8
157.10129	2.1
159.11693	8.9
161.13229	7.1
163.05980	9.0
163.14854	4.7
171.11655	3.0
173.13304	6.5
175.14796	3.7
177.16400	1.8
185.13249	1.9
187.14838	3.4
189.16469	1.4
199.14711	1.5
201.16367	2.0
233.22711	1.3
241.19609	4.1
243.21013	4.5
259.20560	10.6
261.22171	20.2
263.23605	1.6
277.21381	0.9
279.23172	1.8
293.20892	0.9
309.24152	0.9
315.23206	1.6
315.26859	1.0
317.24841	4.0
333.24213	9.8
335.25800	100.0
336.26114	1.2
337.27365	14.0
352.76846	0.9
367.19101	1.0
389.30945	0.9
423.32037	0.9
489.35443	1.5
503.42606	1.3
517.38971	0.9
521.43469	3.1
529.38635	1.1
531.40192	1.2
539.44775	1.0
543.40594	1.2
595.47186	20.1
613.48260	31.7
614.48706	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	965.5358
Annotation	Unknow
Peak:m/z	Relative Intensity
67.00992	0.1
67.05499	1.7
69.07063	14.5
69.27390	0.1
69.64143	0.1
69.64545	0.5
70.92325	0.1
71.05010	0.1
71.08630	3.8
73.02915	0.1
73.06554	0.1
75.04477	0.2
79.05490	1.3
80.24481	0.1
81.07053	2.9
83.04978	0.4
83.08612	14.5
85.06541	0.2
85.09705	0.1
85.10178	1.9
86.53362	0.1
87.08083	0.1
87.99586	0.1
91.05474	0.2
93.07037	1.9
95.04973	0.1
95.07981	0.1
95.08596	2.3
97.06519	1.5
97.10162	10.7
98.20715	0.1
98.98457	5.1
99.08090	0.2
101.05988	0.1
107.08586	1.6
108.35493	0.1
108.68279	0.1
109.10146	1.0
111.08080	0.9
111.11712	3.2
115.07597	0.2
116.99525	0.2
121.10133	2.2
123.11720	0.5
125.09624	0.6
125.13271	0.6
127.65443	0.1
129.09102	0.1
135.11693	1.7
137.00102	0.1
137.13225	0.4
139.11174	0.4
140.00989	0.1
149.13260	0.7
153.12743	0.2
155.01028	2.6
163.14848	0.5
167.14323	0.2
173.02109	0.8
177.16336	0.2
211.03691	0.1
219.21075	0.4
226.90938	0.1
229.04794	0.2
237.22136	0.7
247.05728	0.7
311.25775	100.0
312.26096	1.6
391.22525	0.4
447.25052	5.3
465.25571	0.2
593.21118	0.1
675.29224	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	949.5111
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05502	37.9
67.75944	0.6
69.03424	7.2
69.07068	12.2
69.90357	3.1
69.90784	1.4
70.04192	0.8
71.04971	2.5
73.02917	11.9
73.70522	0.7
79.05487	32.3
80.06268	1.7
81.03412	9.1
81.07052	41.0
82.04176	1.4
83.04977	11.9
83.08624	6.3
85.02900	22.7
85.06529	2.0
85.64523	0.6
87.04452	1.9
91.03945	13.9
91.05475	23.8
93.07036	36.5
94.04176	0.7
94.07808	2.3
95.04968	9.6
95.08598	32.2
96.04491	1.0
96.05760	0.9
97.02880	12.3
97.06520	9.8
97.10155	2.9
98.07309	1.4
99.04446	1.9
99.08058	2.1
101.06005	3.3
103.05433	1.2
105.07022	18.8
106.07810	1.4
107.04958	3.3
107.08585	22.7
108.09377	1.6
109.06503	2.6
109.10152	15.5
110.07262	1.3
111.08084	3.8
113.06083	0.8
115.03944	1.2
115.07523	1.0
116.04703	27.2
117.05473	2.5
117.06995	8.2
119.07790	1.3
119.08581	16.9
119.09409	0.6
120.09365	1.4
121.06470	2.0
121.10131	19.1
122.10935	3.6
123.08057	4.4
123.11694	5.7
125.09611	2.1
127.03912	5.5
127.11165	2.2
129.05473	58.8
129.06860	4.0
131.08566	13.6
132.09343	1.1
133.06490	1.9
133.10129	13.9
134.10927	1.4
135.08038	1.6
135.11670	12.7
136.12460	3.6
137.09584	2.5
137.13254	1.7
139.07468	0.8
139.11162	1.2
143.07027	23.4
143.08504	2.0
145.04941	8.0
145.10115	9.0
145.76218	0.7
146.10912	1.2
147.11674	8.8
149.09615	3.3
149.13248	7.8
150.14023	1.2
151.11192	1.1
153.12759	0.8
157.08601	45.8
157.10027	3.9
159.11691	7.8
160.12448	1.4
161.13246	6.2
163.06003	11.2
163.11165	2.8
163.14862	4.0
164.11990	1.2
165.12701	1.9
167.10669	1.2
169.10153	1.6
171.10149	7.6
171.11636	2.0
173.13264	6.2
175.11189	2.1
175.14790	3.5
177.12793	1.0
177.16327	1.7
179.10617	0.7
180.08652	1.3
181.12236	1.5
183.11742	1.3
185.11708	5.1
185.13255	2.0
187.14812	2.8
188.15710	0.7
192.11424	1.0
193.12280	4.5
195.11700	1.1
197.13251	1.0
199.13283	5.7
199.14893	1.3
200.14067	15.0
201.14795	2.2
201.16425	1.3
204.13280	0.8
211.13266	2.8
213.11212	2.3
213.14777	1.1
215.17984	1.1
223.13234	1.5
227.12746	2.3
229.14346	2.0
241.14346	1.2
241.19643	0.8
243.21028	6.8
255.15796	4.1
259.20615	2.6
260.21262	1.3
261.22101	17.6
267.15857	10.2
269.17453	1.7
279.23441	0.8
283.15308	1.3
284.16153	2.5
285.16998	2.1
316.23950	2.4
317.24658	2.6
317.96054	0.8
330.15442	100.0
333.24310	2.2
335.25781	84.3
351.25400	1.1
367.33566	0.7
417.31116	0.8
433.29575	1.3
435.32480	3.7
453.33786	2.3
460.35297	1.3
473.32776	2.2
476.74829	0.9
478.36826	1.7
487.34238	1.4
509.36002	2.1
516.38239	1.5
526.36401	1.0
527.37360	28.8
544.37500	6.5
545.38422	8.5
590.36761	18.4
608.37830	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	949.5105
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05502	43.1
69.03428	6.8
69.07066	8.9
71.04984	2.5
71.08614	0.7
71.60052	0.9
73.02913	11.0
74.70786	0.5
77.03868	0.8
77.17458	0.6
78.04713	0.9
79.05492	34.2
80.06264	2.2
81.03417	8.2
81.07053	43.6
82.04205	0.7
83.04980	9.5
83.08613	6.0
84.02107	0.7
84.05741	0.8
85.02899	24.0
85.06523	2.2
87.04462	1.2
91.03955	14.2
91.05477	24.7
92.06247	1.2
93.07040	40.7
94.07820	3.4
95.04971	8.8
95.08606	28.4
95.09106	0.6
95.09226	1.0
96.04485	0.7
96.05735	0.8
97.02891	14.1
97.06534	7.2
97.10148	3.1
98.07302	0.8
98.70229	0.6
99.04475	1.3
99.08047	1.9
99.08672	0.5
101.05994	2.0
105.07024	21.5
106.07792	1.8
107.04942	2.3
107.08594	21.8
108.09366	2.2
109.02864	0.8
109.06505	2.9
109.10146	14.6
110.07307	1.4
111.04433	1.0
111.08073	3.9
113.05975	1.1
113.09686	0.7
115.03925	1.0
115.05423	0.7
116.04704	16.5
117.05524	3.1
117.07011	8.5
118.07818	1.0
119.08577	17.9
120.09387	1.7
121.06468	2.0
121.10143	21.6
122.10932	3.2
123.08086	4.2
123.11702	5.0
125.09609	2.1
127.03919	7.3
127.07523	1.0
127.11201	2.1
128.06203	1.1
129.05476	39.8
129.06880	4.2
130.06367	0.7
131.08563	16.5
132.09346	0.9
133.06480	1.1
133.10127	15.2
134.10886	1.8
135.08047	1.7
135.11682	13.8
136.08835	0.7
136.12476	5.2
137.09576	2.0
137.13249	2.3
139.11160	1.3
141.07016	0.6
142.07813	1.1
143.07037	14.4
143.08525	4.0
144.06511	0.7
145.04961	9.4
145.10115	12.2
146.10861	2.1
147.08041	1.4
147.11682	12.1
148.12404	1.5
149.09628	2.4
149.13255	7.9
150.13988	1.7
151.11169	1.6
153.12685	1.0
155.07132	0.6
155.08469	1.2
157.08621	30.5
157.10085	5.1
158.05789	0.9
159.11682	8.5
160.12491	0.8
161.09657	1.7
161.13237	6.9
162.14027	1.4
163.06027	12.2
163.11153	1.7
163.14792	4.9
164.12065	1.3
165.12712	1.7
167.08553	0.8
167.10670	0.7
169.10085	1.3
171.06529	1.1
171.10175	5.9
171.11697	2.4
173.09808	0.7
173.11847	1.0
173.13220	5.9
174.14029	1.3
175.11200	2.7
175.14859	4.2
176.12086	0.5
177.12729	1.2
177.16367	1.8
180.08711	0.7
181.10074	0.7
181.12183	0.7
183.11638	1.3
185.11728	3.9
185.13286	1.6
187.14789	3.2
188.15596	0.8
189.16418	1.6
191.14279	1.1
192.11514	0.7
193.12195	4.4
193.24608	0.6
199.09717	0.9
199.13281	3.0
199.14856	1.3
200.14087	14.6
200.15681	0.5
201.14822	4.2
201.16431	1.6
203.14362	0.7
203.17941	0.7
209.13316	0.7
210.12459	0.9
211.09554	0.6
211.13229	3.2
213.11206	1.5
213.14787	1.1
215.18039	0.7
223.13170	1.0
227.12775	1.9
229.14351	0.8
232.21971	0.8
233.22620	1.0
234.23297	0.7
237.16377	0.8
241.14270	1.2
241.19640	1.3
242.20239	1.1
243.21103	9.4
247.16986	1.0
255.15750	4.0
258.19797	0.7
259.20569	3.8
260.21399	2.0
261.22134	31.1
267.15891	11.3
269.17471	1.8
273.18518	2.7
275.20074	1.1
276.20724	0.8
277.21591	1.1
279.23248	1.3
283.15485	1.3
284.16180	2.9
285.16977	2.5
287.20163	0.8
311.22122	0.8
316.23959	3.2
317.24579	3.6
330.15466	71.6
331.15753	1.4
333.24265	3.3
334.24963	0.8
335.25787	100.0
336.26260	1.4
347.22028	1.1
376.26074	1.1
389.26892	1.1
395.29343	0.6
417.30829	2.0
433.29462	1.0
435.32593	3.5
447.31125	1.2
449.32446	0.8
453.33295	2.4
459.34692	1.0
460.35419	3.6
471.34738	1.1
473.33224	1.5
475.31039	0.7
478.36542	1.5
487.33978	1.5
509.36230	3.3
515.37463	1.3
516.38202	2.8
517.38629	0.9
526.36469	1.4
527.37292	30.9
528.37775	1.2
543.36896	0.9
544.37592	6.7
545.38354	8.6
590.36841	52.0
591.37054	1.1
607.43256	2.0
608.37549	2.3
689.42828	0.7
891.99817	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	947.5487
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05505	39.9
69.03429	1.0
69.07069	8.6
69.73763	1.8
71.04999	1.5
71.08624	0.8
73.02927	0.6
75.04478	0.8
77.03924	0.4
79.05492	23.1
81.03411	0.6
81.07057	46.3
82.07388	0.5
83.04980	1.0
83.08620	5.1
85.02907	1.2
85.06557	1.5
86.23269	0.3
89.42455	0.3
91.03963	0.6
91.05482	11.8
93.07045	31.5
94.07371	0.3
95.04979	2.8
95.08607	36.7
96.08974	0.4
97.02888	1.3
97.06551	2.3
97.10173	2.3
98.98465	27.4
99.08093	1.3
103.03925	0.3
105.07027	9.6
107.08596	20.8
108.08911	0.3
109.06545	0.9
109.10155	19.1
110.10545	0.4
111.08089	1.1
113.09665	0.9
116.99515	1.6
117.07019	4.5
119.08588	8.8
121.06480	0.3
121.10143	19.3
123.08067	1.1
123.11711	8.5
125.09641	1.0
127.03934	0.4
129.05479	0.9
131.08566	9.7
131.09514	0.6
133.10118	8.0
133.11072	0.5
135.08081	0.3
135.11697	14.4
137.09651	1.3
137.13252	3.5
139.11156	0.7
140.01099	0.7
145.10115	7.3
147.11684	7.2
149.09645	0.6
149.13260	10.1
151.11209	0.9
151.14835	0.8
153.12794	0.6
155.01048	5.1
159.11700	7.4
161.13260	6.4
163.11180	0.7
163.14809	6.2
165.12772	0.9
167.53639	0.3
171.11671	0.3
173.02118	5.9
173.13269	7.2
173.67055	0.3
175.14822	2.4
177.12764	0.8
177.16385	2.7
179.14342	1.1
187.14810	4.7
189.16397	0.4
191.14313	0.9
195.13715	0.3
201.07652	0.4
201.16399	1.6
205.15924	0.9
207.59041	0.3
215.17923	0.6
219.17462	0.9
219.21039	0.5
233.18961	0.3
233.22687	1.7
243.21083	15.3
244.21475	0.7
261.22144	45.8
262.22516	1.0
263.23807	0.3
277.21661	0.4
279.23169	1.9
291.23300	0.4
299.23621	0.4
317.24680	3.1
335.25803	100.0
336.26120	3.3
353.26865	9.2
354.27383	0.3
409.83701	0.3
415.22314	1.6
433.23495	1.1
479.29663	0.5
497.31113	10.3
498.31491	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	941.3961
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05469	0.6
69.07014	0.3
69.72282	1.4
70.83825	0.3
79.05461	0.3
80.84466	0.2
81.06989	1.0
86.13682	0.2
95.08552	0.5
96.89468	0.3
147.04254	0.3
153.03502	0.3
195.00221	1.0
254.94986	0.3
313.27295	0.4
396.12228	0.3
397.12723	0.7
410.13763	1.0
411.14423	2.1
412.15292	1.8
413.15921	0.7
423.14716	0.9
424.10825	0.5
424.15421	1.0
425.16171	4.6
426.16818	3.4
427.17325	1.1
428.18701	0.3
437.16296	0.5
438.13303	1.1
439.13379	5.3
440.13538	0.5
440.19254	1.9
441.19254	18.0
442.19363	1.1
443.17065	0.3
451.13687	0.4
452.13867	1.3
453.15106	5.7
454.15945	1.9
455.16562	0.4
457.15027	0.4
458.15732	0.3
463.14587	0.3
464.14639	0.3
465.15073	0.5
466.12326	0.4
467.17197	14.6
468.17889	6.9
469.18823	8.8
470.19238	0.5
471.16833	0.5
480.16541	0.8
481.14838	10.0
482.15497	1.7
483.16714	0.5
485.18076	0.9
486.19330	0.3
495.16086	2.3
496.17273	8.4
497.18280	2.3
499.15308	0.7
507.26703	1.2
508.19296	0.8
509.18411	1.5
510.19531	0.4
512.20825	0.7
514.22089	1.2
522.17468	0.9
523.19324	0.9
524.20465	0.4
527.23224	1.4
537.19592	0.4
542.21753	1.0
555.22375	14.7
556.22601	1.1
568.19281	0.4
573.23022	0.4
583.21881	100.0
584.22150	5.9
586.20868	0.5
587.24817	1.0
611.21222	2.4
614.23975	0.4
615.24432	5.7
616.24432	0.5
642.22925	2.5
643.23926	74.1
644.24213	4.2
941.48749	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	936.5514
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03934	3.1
67.05503	56.2
68.54383	1.2
69.03410	2.9
69.07065	12.3
71.04980	3.7
73.02901	3.0
79.05490	44.4
81.03414	95.8
81.07054	70.0
81.12438	1.4
82.07372	1.8
83.04957	5.5
83.08614	25.9
85.02900	10.4
85.06534	3.3
91.03932	5.5
91.05475	35.7
93.06472	3.3
93.07038	47.3
95.04362	1.9
95.04966	35.5
95.08603	43.2
97.02868	6.3
97.06510	6.4
97.10171	9.7
103.67144	1.4
105.06378	2.7
105.07021	30.5
107.04961	7.1
107.08588	28.5
109.06518	5.4
109.10146	20.6
111.04434	2.1
111.08074	9.0
117.06998	7.6
119.08569	26.4
121.06487	4.5
121.09331	1.8
121.10135	22.2
123.04412	2.7
123.08047	3.6
123.11704	5.3
125.09589	6.4
125.12840	1.2
125.37921	1.9
127.03844	2.6
129.07002	12.1
131.08559	19.3
133.06471	2.9
133.10129	15.2
135.08052	1.8
135.11702	13.4
137.09615	4.3
137.13327	2.0
142.07774	2.5
143.08551	4.4
145.04910	2.7
145.10109	12.8
147.04424	1.9
147.08051	4.8
147.11694	17.8
149.09598	6.5
149.13245	5.9
155.08585	1.7
157.10095	10.7
159.11691	9.9
161.13257	6.1
163.06032	4.6
163.11206	3.2
163.14812	4.2
165.12746	2.5
169.10107	2.4
171.11682	1.9
173.09563	1.7
173.13263	6.7
175.11143	11.8
175.14775	3.5
177.16266	1.7
183.11772	1.7
185.13242	2.1
187.14801	4.2
189.11166	3.8
193.12222	24.8
211.13225	2.8
227.12794	6.8
243.21053	4.9
259.13297	2.9
261.22159	17.8
267.15906	100.0
273.14795	2.2
279.23300	1.7
285.22214	2.0
301.25119	7.3
309.16791	4.0
313.27338	1.8
317.24802	2.8
319.15189	1.8
320.93231	1.4
335.25790	75.7
337.17215	1.8
359.25729	2.1
417.26279	2.1
421.25858	4.1
435.27136	4.0
435.32568	5.9
449.29349	1.8
453.33594	7.3
471.34515	5.6
509.35913	2.5
527.37311	77.0
528.37732	1.4
545.38348	89.7
559.39764	4.3
569.38934	9.5
587.39197	2.5
623.38922	2.4
635.38849	2.7
653.40265	3.5
671.40973	3.7
689.65350	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	936.5534
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03923	1.8
67.05504	32.7
67.93333	0.5
69.03401	2.1
69.07067	10.0
71.04981	2.1
71.08633	9.9
71.60534	1.0
73.02891	1.4
79.05489	21.1
81.03416	40.8
81.07056	38.5
83.04969	2.6
83.08617	15.5
85.02897	4.7
85.06524	2.3
85.10181	6.2
91.03963	3.2
91.05476	16.4
93.07038	24.7
95.04969	14.8
95.08606	29.7
97.02909	2.7
97.06539	2.7
97.10167	6.7
98.98480	3.9
99.08069	0.9
105.04514	0.6
105.06385	1.0
105.07031	14.4
107.04971	3.7
107.08591	14.8
109.06496	2.3
109.10157	14.6
111.04440	1.1
111.08084	4.1
111.11658	0.7
115.05424	1.0
117.07011	5.0
119.08582	13.3
121.06474	1.8
121.09312	0.9
121.10143	14.0
123.04409	2.0
123.08057	1.9
123.11709	6.4
124.01604	1.2
125.09622	3.1
127.03926	1.3
129.06999	5.8
131.08568	12.6
133.06494	1.5
133.10124	7.2
135.08073	0.8
135.11687	8.9
137.06010	0.6
137.09595	1.9
137.13284	2.7
141.06993	0.7
142.02708	0.6
142.07805	1.1
143.08548	1.1
145.04927	2.2
145.10117	5.8
146.41145	0.5
147.04398	1.0
147.08060	1.8
147.11682	7.6
149.09654	3.0
149.13260	5.2
151.11096	0.7
151.14893	0.6
155.01067	4.4
157.10150	7.0
159.11659	4.6
161.13226	3.7
163.06017	3.9
163.11194	2.1
163.14816	3.0
165.12723	1.2
169.10028	0.7
171.10248	0.7
171.11707	1.8
173.13266	5.2
175.11157	4.9
175.14825	1.9
177.12706	1.0
183.11780	0.7
185.13275	0.8
187.14795	2.6
189.05508	0.6
189.11191	1.9
193.10542	0.5
193.12244	13.1
198.05220	0.8
199.14838	0.9
201.16371	0.8
211.13232	1.3
214.86200	0.7
216.06343	2.1
227.12796	5.9
235.13300	1.9
239.23769	1.1
243.20998	3.9
247.16914	0.6
249.14894	1.4
259.13193	1.0
261.22134	15.0
267.15906	58.5
273.14871	1.3
279.23254	1.1
282.27887	10.0
285.22049	1.0
297.53760	0.5
299.23672	0.7
301.14407	1.7
301.25128	4.6
303.23172	0.9
309.16928	3.4
311.25748	1.8
313.27356	100.0
314.27853	1.4
317.24777	2.2
333.24057	0.7
335.25797	66.6
393.23929	8.8
403.24503	0.6
407.23883	0.8
417.26279	0.9
421.25827	2.6
435.27179	2.0
435.32672	2.0
436.28214	31.6
449.28833	1.4
453.33710	6.4
454.29276	39.2
471.34689	3.2
475.30771	0.8
497.30453	0.8
509.36743	1.2
527.37335	54.7
545.38367	61.0
546.38123	0.6
559.39709	2.0
569.38434	8.4
577.40509	1.0
587.39215	2.2
611.39313	2.1
623.39160	2.3
635.39532	3.6
653.40485	3.0
671.41797	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	923.369
Annotation	Unknow
Peak:m/z	Relative Intensity
64.35666	0.2
65.03967	0.2
67.05504	1.0
69.03425	1.2
69.88728	0.5
69.89162	0.7
71.04993	7.2
75.04491	0.3
79.05489	2.0
81.03428	0.9
81.07056	29.8
82.07392	0.2
83.04978	0.9
85.02904	9.0
89.03911	2.4
91.05484	0.6
93.07034	0.2
95.04965	0.2
95.08611	3.1
97.02892	2.5
98.20882	0.3
99.04468	0.5
99.63976	0.2
107.04942	1.2
109.02882	0.5
109.10162	0.2
111.04426	0.7
115.05457	0.3
117.03377	3.2
119.04939	1.0
123.04419	1.3
127.03927	0.5
129.05482	2.4
131.04944	0.2
135.04414	11.0
136.05225	0.2
137.13254	21.2
137.23132	0.2
143.04926	2.2
145.02844	8.4
147.04413	4.9
147.06380	0.9
151.03815	0.2
155.04897	0.8
161.05894	0.4
162.54884	0.2
163.03902	100.0
164.04224	1.0
165.05466	0.2
165.06952	0.3
169.04971	0.2
177.05589	0.2
179.08595	0.3
181.04927	1.7
183.07991	0.3
185.75543	0.2
186.05484	0.7
193.06467	0.4
207.08029	0.4
211.07452	0.6
213.05447	0.2
217.06558	0.3
229.08492	0.2
235.07506	0.9
237.05374	0.8
238.06221	1.6
239.06932	0.2
241.08517	0.4
247.89043	0.2
253.08751	0.3
263.07043	4.9
266.05740	0.4
281.08081	5.6
291.08588	0.8
299.09143	14.3
307.08081	0.9
309.09702	2.3
316.09677	0.2
317.10226	1.7
325.09183	13.5
331.46579	0.2
407.11420	0.2
409.12860	0.8
425.12286	0.3
427.13806	0.3
443.13232	0.5
445.14822	0.6
453.22052	0.2
471.14844	0.9
623.17682	1.1
927.31213	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	911.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99760	0.9
69.03418	1.3
69.83715	0.4
69.84126	0.6
71.04974	0.6
79.05460	0.5
81.03411	1.2
89.03904	3.0
89.11946	0.2
91.05492	0.8
91.71203	0.2
95.04942	0.4
97.02885	3.6
99.04429	0.3
105.03345	0.3
107.04974	1.0
109.02848	0.7
115.05431	0.2
117.03374	3.3
117.07008	0.3
119.04932	1.3
123.04424	8.3
124.05198	0.4
127.03891	0.4
129.06989	0.6
130.67659	0.2
131.04947	0.4
131.08592	0.5
133.06503	0.4
135.04414	8.9
137.02347	0.2
137.05959	0.6
137.96913	0.2
139.03873	0.6
139.73251	0.1
141.01811	0.4
141.06970	0.8
142.73558	0.2
143.04936	0.2
145.02843	6.9
145.06502	0.8
147.04404	5.6
147.07988	0.5
149.05995	0.4
151.03864	0.5
153.06911	0.2
155.04889	0.4
157.06509	0.9
159.04410	0.4
159.08073	0.4
161.05974	4.2
161.07251	0.3
163.03897	50.8
164.04242	0.6
165.05464	1.9
169.06482	1.0
173.05975	1.8
175.03896	3.9
175.07523	0.5
177.05513	0.8
179.07091	0.3
181.04959	1.1
181.06422	0.3
183.04401	0.8
185.05966	2.2
187.03996	0.3
187.07547	1.2
188.04726	0.2
189.05452	3.0
191.07002	0.6
197.05980	1.1
199.03925	0.3
199.07555	0.4
200.04721	0.4
201.05458	4.5
203.03351	0.3
203.07025	2.2
205.04927	0.4
207.06454	0.3
211.03886	1.1
213.05444	7.9
214.06194	0.2
215.03561	2.4
215.07008	8.3
215.09091	0.4
217.04941	5.4
219.06439	0.8
225.05446	1.0
227.03400	0.3
227.06984	0.6
229.04968	3.9
231.06494	2.2
232.03479	0.2
233.04523	0.2
241.04929	0.9
243.06520	13.0
244.03687	0.8
244.07056	0.2
245.04430	3.4
245.08092	0.3
247.05995	1.0
253.04961	0.7
255.06442	0.4
259.05997	5.5
261.07605	0.7
271.06006	9.4
273.04446	0.3
273.07541	1.4
277.07019	1.0
283.06003	0.5
289.07050	73.4
290.07333	1.4
291.08539	0.2
301.07047	1.0
307.08096	0.6
319.08154	0.3
325.09164	11.8
341.10159	0.5
353.10422	0.2
365.10190	0.3
367.08160	0.4
369.09735	1.3
395.11246	2.4
396.08182	0.4
397.09183	0.2
411.10660	0.4
423.10623	1.4
425.12335	0.4
441.11786	100.0
442.12125	3.0
445.06180	0.2
451.11728	0.3
544.92725	0.2
603.17047	2.2
613.15546	2.3
765.20172	19.5
766.20654	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	911.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99787	0.6
69.03429	0.9
69.94675	0.8
71.04990	0.9
79.05483	0.6
81.03415	0.5
83.63241	0.1
85.01807	0.2
85.02366	0.5
85.02908	1.9
89.03914	4.7
91.05468	0.6
95.04965	0.3
97.02904	0.8
99.04395	0.2
105.03395	0.2
105.50095	0.1
107.04946	1.7
109.02860	0.3
115.05498	0.2
117.03374	5.2
117.07040	0.2
119.04955	1.1
123.04428	5.5
124.05233	0.3
127.03913	0.4
128.06242	0.2
129.05460	0.3
129.06970	0.4
131.08557	0.3
133.06496	0.3
135.04414	13.8
136.04672	0.2
137.05975	0.2
139.03914	0.4
141.01791	0.4
141.06963	0.6
143.04901	0.2
145.02841	11.3
145.06473	0.5
147.04411	3.3
147.08041	0.3
149.05972	0.4
151.03885	0.5
157.06476	0.6
159.08040	0.2
161.05984	3.3
163.03899	100.0
164.04237	0.8
165.05490	1.1
169.06454	0.7
171.04459	0.2
173.05952	0.9
175.03914	2.7
175.07539	0.4
177.05464	0.9
181.04988	0.4
183.04434	0.5
185.05959	1.4
186.05542	0.2
187.07530	0.7
189.05453	1.7
191.07050	0.4
193.04935	0.2
197.06046	0.8
199.03854	0.2
200.04645	0.2
201.03723	0.3
201.05475	2.9
203.07042	1.5
211.03891	0.4
213.05473	5.3
214.05933	0.2
215.03638	1.3
215.07022	5.8
216.03993	0.2
217.04967	3.8
219.06500	0.6
225.05493	0.7
227.03561	0.2
227.06955	0.3
229.04948	2.8
231.06525	1.5
232.03735	0.2
241.04929	0.7
242.05745	0.2
243.06528	8.9
244.03676	0.4
244.06976	0.2
245.04483	1.9
245.06937	0.1
245.08128	0.3
247.05986	0.8
253.04956	0.5
255.06587	0.3
257.04364	0.2
259.06018	3.6
261.07648	0.5
271.06009	6.4
273.04819	0.2
273.07581	1.2
277.07144	0.6
283.06064	0.3
287.05591	0.3
289.07056	47.9
290.07385	0.7
297.03906	0.9
301.07120	0.5
307.08066	1.1
319.08115	0.3
325.09174	25.0
326.09402	0.3
341.10138	0.2
353.10217	0.3
365.10245	0.3
367.08151	0.4
369.10059	0.8
371.11230	0.2
395.11334	1.4
396.08014	0.2
405.09711	0.2
411.10678	0.3
423.10681	0.9
425.12335	0.5
441.11801	51.2
442.12100	0.7
451.11789	0.2
492.29443	0.3
568.92645	0.1
585.15497	0.3
595.14447	0.3
603.17096	3.5
613.15521	2.1
622.37048	0.1
747.19501	1.4
748.02551	0.2
765.20190	10.6
845.18768	0.2
923.38983	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	911.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99781	0.8
69.03429	1.6
71.04967	0.8
71.59644	0.2
79.05475	0.7
81.03407	1.0
83.04977	0.2
85.02351	0.7
85.02901	4.0
87.04429	0.2
87.31287	0.2
89.03906	4.2
91.05457	0.7
94.25490	0.2
95.04945	0.6
97.02885	1.9
99.04430	0.2
103.05447	0.2
105.07006	0.2
107.04933	1.4
109.02861	0.7
115.05495	0.2
117.03375	5.1
117.06981	0.3
119.04938	1.5
123.04420	10.8
124.05189	0.3
127.03918	0.9
128.06194	0.2
129.06999	0.3
131.04922	0.5
131.08578	0.3
133.06544	0.4
135.04405	11.2
137.05946	0.5
139.03865	0.8
141.01854	0.5
141.07013	1.0
143.04890	0.2
145.02832	8.6
145.06467	0.7
147.04396	6.0
147.08031	0.6
149.05952	0.3
151.03908	0.9
155.04939	0.3
157.06473	0.7
158.05919	0.2
159.04456	0.3
159.08029	0.3
161.05966	5.0
163.03896	51.5
164.04236	0.6
165.05473	2.4
167.03284	0.2
169.06465	0.7
173.05977	2.1
175.03888	4.8
175.07523	0.5
177.05429	1.5
181.04980	0.5
183.04408	0.6
185.05974	2.4
186.05539	0.3
187.03973	0.3
187.07524	1.3
188.04678	0.3
189.05466	3.0
189.07034	0.3
191.07037	0.5
193.05006	0.2
197.05965	1.2
199.03947	0.3
199.07591	0.4
200.04797	0.2
201.05460	5.1
203.03360	0.4
203.06990	2.5
205.04976	0.6
207.06563	0.3
211.03891	0.9
213.05449	9.1
214.06062	0.3
215.03539	2.6
215.07016	9.7
217.04955	5.6
217.07005	0.4
219.06577	1.1
225.05508	1.6
227.03349	0.4
227.07040	0.7
229.04947	5.0
231.06512	2.2
232.03564	0.2
241.04962	0.7
243.06514	15.9
244.03696	0.8
244.06879	0.4
245.04446	3.7
245.08150	0.6
247.06047	1.5
253.04955	1.0
255.06511	0.7
257.04565	0.4
257.07913	0.2
259.06012	7.2
261.07547	1.3
265.08502	0.9
271.06003	12.0
272.06509	0.3
273.07529	2.0
277.07016	1.4
282.11246	0.5
283.06003	0.6
283.11765	0.2
285.07687	0.2
287.05414	0.3
289.07043	100.0
290.07407	1.3
291.08698	0.6
297.03726	0.2
301.07028	1.2
307.08151	0.5
309.09747	0.3
319.07993	0.6
325.09152	4.8
331.08087	0.2
341.10342	0.4
351.08618	0.3
353.10120	0.3
365.10223	0.5
367.08017	0.6
369.09723	1.8
371.11325	0.3
379.08456	0.2
395.11252	4.1
396.08282	0.4
397.09433	0.2
405.09790	0.3
411.10709	0.7
423.10751	2.2
425.12268	0.6
441.11786	79.1
442.11984	1.5
451.12405	1.2
603.17035	58.4
604.17487	1.4
613.15558	2.8
765.20197	15.1
766.20868	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	910.5196
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03929	0.5
67.05499	14.3
69.07063	9.3
71.04989	0.4
71.08601	0.4
72.45136	0.1
72.63054	0.1
79.05054	0.2
79.05486	3.3
81.07050	15.3
81.83395	0.1
83.04957	0.5
83.08144	0.3
83.08613	5.3
84.52592	0.1
85.06525	0.6
85.10162	0.4
86.68953	0.1
91.05482	2.6
93.07037	4.3
95.04959	0.4
95.08598	12.5
96.56815	0.2
97.06520	1.2
97.10158	2.7
98.06049	0.4
98.98450	0.3
99.08092	0.3
105.07026	2.2
107.08591	2.6
109.06507	0.3
109.10149	5.3
111.08081	0.5
111.11699	0.6
113.09613	0.3
119.07771	0.2
119.08568	1.7
121.10126	2.2
123.08087	0.3
123.11696	2.8
124.01530	0.3
125.09605	0.3
133.10115	1.9
135.11670	1.4
137.09608	0.3
137.13240	0.9
139.11160	0.3
140.05383	0.2
142.54242	0.1
147.11676	1.3
149.02402	0.2
149.06960	0.1
149.13223	0.6
151.11160	0.4
151.14816	0.3
153.12746	0.2
161.13266	1.2
163.14815	0.7
165.12761	0.2
167.14218	0.2
175.14828	0.7
177.16365	0.2
183.52345	0.1
183.55905	0.1
184.58855	0.2
189.16325	0.2
198.05219	0.5
216.06270	0.7
245.22583	0.3
263.23642	0.7
306.27859	3.9
306.31143	0.3
337.27335	100.0
338.27679	1.8
412.74969	0.2
460.28500	0.9
460.33829	0.2
478.29266	6.0
893.40875	0.2
910.48157	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	911.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99780	0.7
69.03420	1.4
71.04963	0.7
71.59850	0.3
73.02907	0.3
76.96462	0.2
79.05466	0.7
81.03403	1.0
83.01332	0.2
85.01797	0.3
85.02364	0.6
85.02907	3.6
87.04450	0.2
89.03909	3.6
91.05453	0.7
95.04941	0.3
97.02866	1.3
99.04419	0.3
105.07003	0.3
107.04949	1.3
109.02853	0.6
111.00739	0.2
115.05425	0.2
117.03363	3.9
117.06981	0.2
119.04944	1.5
123.04417	9.3
124.05211	0.2
127.03882	0.7
129.06975	0.4
131.04918	0.5
131.08540	0.3
132.01431	0.2
133.06483	0.3
135.04407	9.9
137.05934	0.4
139.03899	0.8
141.01810	0.6
141.06976	0.8
143.04910	0.3
145.02837	6.5
145.03961	0.4
145.04866	0.3
145.06459	0.6
147.04399	4.6
147.07976	0.4
149.05910	0.4
151.03920	0.8
155.04892	0.2
157.06490	0.7
161.05968	4.1
163.03893	45.1
164.04291	0.2
165.05478	2.2
169.06464	0.7
171.08105	0.2
173.05989	1.5
175.03896	3.7
175.07545	0.7
177.05417	1.3
179.06970	0.2
181.04988	0.5
183.04404	0.5
185.05959	2.6
186.05540	0.2
187.07538	1.0
189.05467	2.9
191.07037	0.5
196.09889	0.2
197.05949	0.9
199.03990	0.3
199.07535	0.5
200.04626	0.2
201.05458	4.5
202.57912	0.2
202.89545	0.2
203.03345	0.2
203.07030	2.2
205.04964	0.6
207.06500	0.2
211.03952	0.9
213.03773	0.2
213.05457	7.2
215.03612	1.9
215.07007	8.6
217.04950	5.4
217.08533	0.3
219.06523	0.8
225.05423	1.1
227.03424	0.5
227.07014	0.7
229.04956	4.2
231.06483	1.9
233.04356	0.3
235.05821	0.3
241.05045	0.9
242.05597	0.2
243.06514	14.7
244.03748	0.7
244.06949	0.2
245.04462	3.3
245.08162	0.5
247.06027	1.5
253.04907	0.8
255.06493	0.7
257.04382	0.2
259.05991	6.5
261.07535	1.2
264.10144	0.2
271.05991	11.3
273.07532	1.7
274.04810	0.2
277.07126	1.5
283.06015	0.6
289.07040	100.0
290.07330	1.4
291.08563	0.5
300.21362	0.2
301.07047	1.1
307.08139	0.4
309.09732	0.2
317.06488	0.2
319.08286	0.8
325.09146	3.1
326.09610	0.2
331.08228	0.3
341.10284	0.3
351.08725	0.3
353.10361	0.3
365.10144	0.4
367.08191	0.7
369.09619	2.2
369.44788	0.2
371.11255	0.5
379.08054	0.3
395.11206	3.9
396.08389	0.5
405.09756	0.3
411.10660	1.1
413.12781	0.2
423.10635	2.0
425.12241	0.6
441.11777	71.9
442.12012	1.2
451.12415	1.5
454.46106	0.2
456.40439	0.2
545.13391	0.2
587.17700	0.2
603.17023	61.8
604.17389	1.1
613.15515	2.9
765.20172	15.3
766.19812	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	909.4813
Annotation	Unknow
Peak:m/z	Relative Intensity
65.72224	0.2
67.05508	2.7
68.18124	0.2
69.03069	0.3
69.03429	3.6
69.07062	0.7
71.01364	0.3
71.04997	0.5
73.02915	4.0
79.05491	2.4
81.03415	2.2
81.07061	3.0
83.04959	0.4
83.07061	0.2
83.08621	0.4
85.02902	7.3
87.04460	0.4
91.03956	4.0
91.05480	1.6
92.58101	0.2
93.07033	2.4
95.04965	0.8
95.08611	2.0
97.02895	5.4
97.06568	0.2
97.10158	0.2
99.04453	0.8
101.48765	0.2
103.03954	0.5
105.07050	0.8
107.04916	0.2
107.08597	1.1
109.02876	1.0
109.10142	0.9
111.08095	0.2
115.03963	0.5
117.07037	0.3
119.08558	1.0
121.10105	0.9
123.11766	0.4
126.90727	0.2
127.03913	1.9
129.05515	0.2
129.07021	0.2
131.08577	0.6
133.10167	0.6
135.11722	0.5
145.04973	0.5
145.10168	0.2
147.04482	0.3
147.11697	0.6
157.10135	0.2
159.11749	0.2
161.13274	0.2
175.11206	0.2
185.04311	0.9
193.12280	0.5
203.05264	1.0
211.13329	0.2
243.08417	1.7
251.12659	0.5
259.08148	0.2
261.22311	0.3
269.12424	0.3
307.15189	0.2
335.26010	0.7
347.09451	2.3
363.09158	0.4
365.10541	0.8
389.82019	0.2
405.13690	5.4
469.20425	3.5
519.29303	5.8
547.39240	0.2
631.25665	2.8
681.34619	6.6
682.35150	0.2
689.36456	0.2
708.69873	0.2
747.42816	1.5
838.83655	0.2
909.48145	100.0
910.48187	2.3
919.41254	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	904.5263
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03938	1.7
67.05502	34.5
68.46890	0.3
69.03431	3.2
69.07063	8.1
70.01135	1.8
70.18935	0.3
71.04991	3.5
73.02912	2.3
77.03895	0.5
79.05491	25.9
81.03416	30.8
81.07056	35.8
83.04980	8.4
83.08618	13.8
85.02900	19.5
85.06554	1.7
87.04439	0.7
91.03961	4.9
91.05479	23.5
93.07042	26.9
95.04969	15.4
95.08604	24.1
97.02893	5.9
97.06535	2.5
97.10161	3.1
99.04407	0.7
99.08056	1.0
105.04509	0.5
105.07030	15.9
107.04966	3.4
107.08591	13.9
109.02818	0.5
109.06537	3.1
109.09477	0.5
109.10152	9.2
111.04398	1.5
111.08080	5.1
113.05967	1.1
115.05439	0.5
117.06347	0.3
117.07018	3.7
119.04903	0.7
119.08579	14.6
121.06475	1.3
121.10139	15.1
123.08032	1.9
123.11709	3.1
125.09590	1.1
127.03948	2.0
127.07511	0.8
129.07007	5.6
131.08569	10.9
132.09064	0.3
133.06436	1.4
133.10129	8.9
135.08011	0.6
135.11687	5.9
137.09572	1.7
137.13216	1.2
141.06978	0.5
142.07800	1.7
143.08444	0.8
145.04971	2.2
145.10121	5.0
147.08090	1.9
147.11691	11.1
149.09619	3.3
149.13254	3.4
151.11098	0.5
157.10127	8.2
159.11646	2.4
161.09639	0.4
161.13272	2.4
163.06075	1.9
163.11156	0.9
163.14845	1.6
165.12721	1.8
171.11603	0.6
173.13260	2.8
175.11179	7.5
175.14740	0.8
177.12732	0.6
177.16385	0.4
183.11760	0.4
185.13210	0.5
187.14748	1.4
189.11055	0.3
193.12239	22.3
201.16438	0.4
211.13292	28.7
212.42899	0.4
227.12767	0.8
233.22667	0.7
243.21107	2.3
249.14827	0.4
261.22141	7.6
267.15903	8.5
283.15457	0.4
285.16962	41.4
299.23636	0.5
301.25024	0.7
317.24680	1.5
335.25793	62.0
336.26120	0.7
370.54590	0.4
435.32639	1.6
453.33533	1.6
471.34854	1.0
509.36118	0.6
527.37378	12.6
545.38373	100.0
546.38788	1.3
563.39734	0.5
689.42456	0.5
711.17224	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	904.5255
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03944	1.1
67.05502	32.3
69.03437	3.6
69.06727	0.6
69.07067	8.6
71.01346	0.5
71.04987	2.9
71.06339	1.3
72.04507	0.8
73.02911	3.1
79.05488	28.2
81.03415	41.5
81.07053	39.1
83.04483	0.6
83.04980	9.7
83.08617	17.4
85.02901	24.9
85.06550	1.5
87.04484	0.8
91.03946	6.0
91.05477	27.6
93.07040	28.7
95.04964	18.6
95.08604	25.0
97.02893	6.6
97.06528	4.1
97.10162	3.2
98.22826	0.5
99.04446	0.7
99.08102	1.2
105.04531	0.6
105.07029	16.8
107.04947	3.9
107.08589	14.9
109.06536	3.2
109.10149	9.9
111.04441	1.9
111.08067	7.4
113.05988	1.3
115.05477	0.8
117.06988	3.3
119.08575	17.6
121.06493	0.9
121.10145	14.5
123.08100	2.6
123.11726	3.7
125.09627	1.5
127.03934	3.1
127.04702	0.5
127.07561	1.0
128.06212	0.6
129.07010	7.6
131.08566	11.9
133.06496	1.5
133.10132	11.0
135.11667	6.5
137.09608	1.6
137.13231	1.0
139.46594	0.6
142.07779	2.0
145.04951	3.3
145.10123	5.1
147.08069	1.7
147.11676	13.5
149.09607	4.6
149.13274	3.2
155.08574	0.6
157.10117	11.0
159.11761	3.5
161.13220	2.8
163.06001	3.0
163.11143	1.3
163.14859	1.6
165.12778	2.7
169.10063	0.7
171.11720	1.2
173.13237	3.1
175.11162	9.4
175.14748	0.7
177.16431	0.7
180.08699	0.6
183.11719	0.6
185.13266	0.9
187.14830	1.5
193.12233	30.5
197.13138	0.6
201.16377	0.8
211.13278	56.9
215.17885	0.6
227.12627	0.7
243.21121	2.2
261.22156	8.2
267.15878	11.7
285.16949	67.3
286.17365	1.1
301.25223	1.0
307.76627	0.5
317.24838	1.8
317.28506	0.6
335.25797	57.6
336.26047	0.8
435.32550	1.5
435.41418	0.6
453.33786	1.9
471.34164	1.1
527.29932	1.0
527.37396	13.3
545.38348	100.0
546.38367	3.3
563.39502	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	902.5101
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03931	0.9
67.05502	36.9
69.03423	3.7
69.07068	9.2
69.27077	5.4
69.27489	1.3
71.04991	2.9
71.08630	0.7
73.02910	4.7
79.05490	30.7
81.03416	10.9
81.07052	42.4
83.01333	7.9
83.04978	7.7
83.08611	14.5
85.02903	18.8
85.06513	1.5
91.03949	10.4
91.04892	0.9
91.05476	19.4
93.07039	41.2
95.04970	6.1
95.08601	28.6
96.04494	1.1
97.02371	0.9
97.02892	10.0
97.06522	5.1
97.10178	4.2
98.20770	1.4
99.04442	2.6
99.08102	1.5
103.05416	0.9
105.07024	14.8
107.04944	6.2
107.08588	23.2
109.02859	0.9
109.06517	6.3
109.10152	12.7
111.04429	1.6
111.08073	2.5
111.11732	1.1
115.03938	1.1
115.05434	0.8
117.07009	9.6
119.08569	14.8
121.06477	2.2
121.10136	17.0
123.04451	0.6
123.08057	7.9
123.11697	4.3
125.05981	2.5
125.09643	3.9
127.03917	3.8
128.15941	0.6
129.07007	1.7
130.07751	0.7
131.08563	8.6
133.10114	8.1
135.08020	1.7
135.11682	17.4
137.09586	1.7
137.13235	1.3
143.08543	1.9
145.04936	5.2
145.05939	0.6
145.06499	0.9
145.10115	17.0
147.08023	2.3
147.11664	4.0
149.09583	1.1
149.13278	4.8
151.11205	1.0
153.12749	2.8
155.08553	1.1
157.10106	1.1
159.11656	4.1
161.13258	3.0
163.06023	5.6
163.11174	20.4
163.14775	3.3
169.10057	0.9
171.11734	1.0
173.09612	3.1
173.13298	4.9
175.14835	1.2
177.16374	1.1
180.08673	0.7
181.12169	3.0
183.11691	0.7
185.13231	1.5
187.14807	2.1
189.11200	1.9
191.10632	2.4
193.12241	1.6
201.16344	1.4
209.11688	5.6
211.13292	1.5
227.12775	10.4
243.21075	4.1
259.20569	1.6
261.22110	14.1
267.15863	2.1
268.16342	0.8
273.22012	0.8
277.21561	1.3
279.23193	0.7
283.15384	100.0
284.15549	1.7
285.16983	0.9
299.20688	0.9
299.23642	4.9
301.21591	0.7
317.24734	4.3
333.24188	2.3
335.25793	62.4
336.26050	2.1
338.41663	0.7
339.23187	0.8
433.30972	3.0
451.31985	4.0
469.32996	3.0
487.34244	1.2
515.36938	2.2
517.35089	0.8
525.35773	7.0
543.36816	63.3
544.37036	2.3
561.37756	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	902.5074
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03946	2.0
67.05504	46.5
69.03427	3.3
69.06713	0.7
69.07067	11.3
71.01353	1.2
71.04987	4.2
71.08633	0.6
71.60077	0.5
71.60444	0.6
73.02921	4.6
77.03960	0.6
79.05491	37.2
81.03415	12.0
81.07053	57.3
82.07396	0.9
83.01339	6.7
83.04980	11.7
83.08129	0.9
83.08616	13.6
85.02903	20.1
85.06530	2.2
87.04432	0.4
91.03049	0.4
91.03956	12.0
91.05475	23.6
93.07040	51.0
95.04964	10.0
95.05548	0.7
95.08602	37.2
96.04515	0.6
96.08963	0.4
97.02886	11.7
97.06535	5.6
97.10169	5.1
99.04448	3.6
99.08083	0.8
103.05448	0.8
104.06280	0.4
105.04568	0.5
105.07027	19.5
107.04949	7.5
107.08590	29.0
109.02889	0.7
109.06513	7.2
109.10156	15.3
109.10918	0.8
111.04445	2.7
111.08071	2.3
113.06031	0.6
113.09695	0.5
115.03864	0.5
115.05424	0.7
117.07013	10.5
119.07692	0.6
119.08572	15.4
121.06495	2.8
121.10141	22.5
123.04443	1.3
123.08074	7.5
123.11705	5.1
125.06011	1.7
125.09612	3.7
127.03899	5.0
128.06166	0.5
129.07004	2.9
130.07776	1.4
131.04967	0.5
131.08566	11.7
133.06572	0.4
133.10124	9.4
133.11084	0.8
135.08031	2.2
135.11690	22.3
137.09627	1.8
137.13252	3.3
138.13672	0.5
139.07513	0.6
143.08575	2.3
144.06560	0.5
145.04965	5.1
145.06432	0.9
145.10123	21.6
147.04372	0.9
147.08029	1.7
147.11685	6.3
149.09610	1.3
149.13255	6.4
151.11102	0.4
153.09163	0.5
153.12747	3.3
155.08534	2.0
157.10136	1.9
159.11694	6.7
161.13275	5.3
163.06004	5.7
163.11185	21.5
163.14793	3.8
165.05498	0.7
165.12755	0.8
167.08559	0.5
169.10147	0.6
171.11691	1.0
173.09656	2.7
173.11903	0.6
173.13272	5.4
175.11252	0.5
175.14819	1.8
177.16383	0.7
179.14299	0.5
181.10788	0.4
181.12221	3.0
183.11694	0.7
185.13293	1.1
187.14816	3.6
189.11195	3.0
189.16409	0.5
191.10704	2.8
193.12268	1.3
197.13295	0.5
199.14827	1.0
201.16399	1.4
205.16074	0.5
209.11719	6.0
209.13385	0.6
211.13283	1.3
213.16461	0.6
215.17894	0.4
223.14835	0.6
227.12782	10.1
233.22487	0.6
240.25160	0.5
241.19543	1.2
243.21083	5.7
245.13788	0.7
252.07347	0.7
259.20541	2.0
261.22144	20.5
267.15884	2.4
268.56232	0.4
273.22162	0.8
277.21710	0.6
279.23306	0.8
281.22656	0.9
283.15393	97.7
284.15717	1.3
285.17047	1.3
297.22162	0.5
299.23657	5.9
311.09146	0.5
317.21429	0.7
317.24762	5.8
333.24252	2.8
335.25784	90.8
336.26175	1.5
345.24380	0.7
355.26196	0.6
405.31689	0.6
415.30054	1.0
423.32602	1.2
433.31107	2.6
451.32080	3.9
469.33209	3.3
487.33966	1.8
499.34790	0.5
507.34702	0.6
515.37024	1.4
525.35748	8.9
543.36810	100.0
544.37134	2.4
561.37738	7.3
610.57440	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	902.5099
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03928	1.0
67.05502	27.5
67.05841	0.9
67.09065	0.4
69.03381	1.7
69.03735	0.5
69.07062	8.6
70.02161	0.8
70.02579	1.5
71.04980	2.3
71.08608	0.6
73.02871	1.5
77.03897	0.5
79.05489	23.7
81.03372	1.6
81.07053	31.9
83.04979	2.4
83.08611	6.9
85.02901	3.2
85.06498	1.1
90.38814	0.4
91.03904	1.1
91.05477	11.1
93.07038	35.3
95.04960	4.8
95.08601	37.2
97.02903	3.6
97.06543	3.1
97.10125	1.3
99.04424	3.3
99.08051	0.5
105.07030	7.2
107.04953	5.2
107.08588	23.5
109.06451	1.5
109.10153	10.3
111.04398	0.7
111.08064	1.2
113.05956	0.5
117.07012	6.7
119.08578	9.9
121.06501	2.9
121.10138	15.7
123.08020	0.9
123.11671	2.8
125.05986	2.1
125.09623	0.7
127.03798	0.7
127.07518	0.5
130.07777	1.0
131.08574	4.6
133.10135	5.1
135.07985	1.5
135.11685	34.8
137.13199	1.5
139.07513	1.6
143.08527	0.8
145.05049	0.5
145.10115	19.8
147.11687	2.3
149.09471	0.5
149.13239	2.4
153.12738	0.9
159.11674	2.5
161.13260	2.1
163.05927	0.6
163.11172	39.2
163.14819	1.3
173.13210	1.9
175.14792	0.9
177.16377	0.7
181.12201	6.3
187.14838	0.6
209.11748	1.0
227.12767	43.5
227.49721	0.5
243.21150	2.6
261.22131	8.1
275.19803	0.6
283.15375	53.1
284.15665	0.5
313.27487	0.7
314.27753	0.5
316.54663	0.5
317.24716	1.8
335.25775	94.6
336.26111	1.8
543.36792	100.0
544.37225	3.4
561.37476	0.8
645.91364	0.4
867.44916	0.5
902.20947	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	900.4944
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03928	1.5
67.04263	0.7
67.05502	31.2
68.01402	0.9
68.05028	1.5
69.03432	1.7
69.07064	8.2
69.28977	0.8
69.29377	3.6
70.02943	3.1
70.06593	0.6
71.04995	2.2
72.04513	78.5
73.02908	1.3
77.03904	0.6
79.05488	30.0
80.05011	9.5
81.03399	1.3
81.07053	32.4
82.02940	2.7
82.06572	8.7
83.04991	1.9
83.08618	5.9
84.04478	2.1
85.02898	3.7
85.06534	1.5
91.03942	2.3
91.05477	14.6
93.05807	0.8
93.07038	25.8
94.06564	2.2
95.04964	2.8
95.08599	21.7
96.00819	0.4
96.04485	11.6
96.08119	0.7
97.02885	2.2
97.06503	1.1
97.10176	3.5
98.06030	1.2
99.04459	0.7
99.08075	0.5
103.05452	0.4
105.07025	9.1
106.06558	1.1
107.04958	1.3
107.08588	13.9
108.04475	11.6
108.05215	0.4
108.08155	0.5
109.02902	0.7
109.05253	1.5
109.06495	2.2
109.10143	9.7
110.02399	0.4
110.06025	6.3
110.75412	0.4
111.08039	0.7
115.05440	0.7
117.07011	5.3
118.06564	0.9
119.07281	0.6
119.08579	6.9
119.09354	0.6
120.04450	0.4
120.08111	0.9
121.10135	8.9
122.06049	3.0
122.09654	1.2
123.06827	0.8
123.08051	0.7
123.11688	2.5
124.11230	4.9
125.09629	1.7
126.05516	1.1
127.03909	1.3
128.06252	0.9
129.06992	0.5
131.08557	4.3
132.08076	1.2
133.10135	4.4
134.09625	1.0
135.08073	3.3
135.11687	6.5
136.07597	0.8
136.11177	0.8
137.09630	1.4
140.07039	0.5
143.08563	0.9
145.10103	3.4
146.09610	0.8
147.11673	2.6
149.09531	0.4
149.13245	2.5
150.09152	1.0
150.12724	0.6
151.11035	0.5
153.09059	0.4
157.10071	0.5
159.11662	2.3
160.11214	1.7
161.13254	1.6
162.09161	0.5
163.06105	0.7
163.11168	0.5
163.14833	1.4
164.10675	0.5
170.09688	0.7
170.11752	1.9
171.11679	0.7
173.13210	2.0
175.14832	1.0
178.12256	9.8
187.14868	1.0
188.10695	1.8
196.13318	0.9
206.11748	4.1
208.13278	1.1
219.20409	0.4
224.12805	9.2
226.14333	0.6
227.12733	0.4
233.22577	0.6
240.52068	0.5
242.13913	1.9
243.21136	1.9
261.22137	7.4
280.15384	6.5
296.14911	0.8
297.22278	1.0
298.16470	100.0
299.16809	1.1
311.25818	1.4
312.26050	1.1
315.23199	1.0
316.17526	0.5
317.24698	1.1
335.25784	61.9
336.26263	1.2
341.18658	0.4
484.34558	0.4
509.08728	0.4
540.37000	2.4
558.37860	52.8
559.38123	1.0
576.38916	10.3
679.28125	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	895.265
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03933	1.0
68.99786	0.8
69.03430	1.3
70.00370	0.8
70.00768	0.4
71.04962	0.7
77.12053	0.2
81.03410	1.2
85.02900	2.3
91.05476	6.3
95.04971	0.3
97.02887	4.4
105.07007	0.3
109.02858	0.8
115.05420	0.4
119.04935	18.3
123.04420	10.0
124.05154	0.3
127.03896	0.7
128.06253	0.4
129.07027	0.5
131.08571	0.5
133.06500	0.8
135.04439	0.4
137.05971	0.4
139.03902	0.7
141.01851	0.6
141.06938	0.9
143.04971	0.3
145.06491	0.8
147.04401	75.0
148.04723	0.7
149.05989	0.5
151.03871	0.6
157.06503	1.1
159.04407	0.4
159.07953	0.3
161.05972	4.8
163.03954	1.2
165.05476	4.3
169.06512	1.3
173.05952	1.7
175.03891	4.1
175.05315	0.4
175.07570	0.5
177.05446	1.3
178.70280	0.2
183.04424	0.5
185.05971	2.2
187.03981	0.4
187.07567	1.3
189.05446	3.3
191.07074	0.6
193.04973	0.2
197.05917	1.3
199.03889	0.3
199.07497	0.4
200.04507	0.2
201.05472	4.3
203.06999	2.3
205.04918	0.4
207.06494	0.5
211.03917	0.7
213.05455	8.2
214.06017	0.2
215.03534	2.4
215.07001	8.9
217.02901	0.4
217.04958	5.7
219.06502	0.8
225.05397	1.5
227.07085	0.6
229.02846	0.4
229.04948	4.5
231.06561	2.0
241.04984	0.8
243.06525	13.7
244.03688	0.8
244.07079	0.3
245.04466	2.8
245.08063	0.5
247.06052	1.1
249.07530	0.4
253.05013	1.0
255.06592	0.5
257.04407	0.2
259.06009	5.8
261.07590	1.0
271.05994	10.7
272.03186	0.3
272.06573	0.3
273.07574	1.5
277.07092	1.1
283.05966	0.6
285.07611	0.2
289.07047	84.9
290.07449	0.8
291.08609	0.8
301.06998	1.0
309.09665	11.4
319.07959	0.5
341.10162	0.6
353.10254	0.3
365.10083	0.4
367.08102	0.8
369.09601	1.9
395.11240	2.8
396.08298	0.6
397.08792	0.4
405.09964	0.3
411.10712	0.8
423.10764	1.3
425.12094	0.8
441.11786	100.0
442.12051	1.7
561.00385	0.3
597.15820	2.0
603.17065	2.3
749.20679	17.7
750.20392	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	900.4944
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03934	2.5
67.03430	0.6
67.04266	1.1
67.05502	48.8
68.01380	1.3
68.05015	1.6
69.03429	2.1
69.07068	11.6
70.02959	4.4
71.04996	2.0
72.04514	100.0
73.02922	1.9
79.05491	43.9
80.05013	11.8
81.03419	1.8
81.07053	48.4
82.02949	3.1
82.06577	11.0
83.04976	2.9
83.08614	7.0
84.04510	2.2
85.02902	5.4
85.06532	2.6
91.03944	3.1
91.05476	19.4
92.05027	1.2
93.05811	1.4
93.07040	35.9
94.06571	2.8
95.04977	4.7
95.08604	34.0
96.04488	13.2
97.02883	2.1
97.06533	2.6
97.10187	4.2
98.06068	1.7
99.08121	0.7
105.04565	0.9
105.07027	13.3
106.06541	1.2
107.04958	1.0
107.08592	22.3
108.04474	16.6
108.08122	1.2
109.02885	0.9
109.05264	1.7
109.06542	2.7
109.10149	13.9
110.06055	6.5
111.08094	2.2
113.09605	0.8
115.05460	0.7
117.07027	6.8
118.06551	1.1
119.08583	9.7
120.08112	1.7
120.21184	0.5
121.06545	0.7
121.10145	14.2
122.06032	3.6
122.09624	1.4
123.06834	0.8
123.08048	1.0
123.11699	3.3
124.11238	7.1
125.09628	2.4
126.05527	1.6
127.03948	1.2
129.06989	0.8
131.08572	5.9
132.08104	1.7
133.10117	6.5
134.09698	1.0
135.08055	4.7
135.11690	9.0
136.07590	1.7
136.11241	1.1
137.09636	1.6
137.13309	1.1
143.08537	1.3
145.04985	1.0
145.10107	5.9
146.09691	1.2
147.11665	4.6
149.13274	5.0
150.09183	1.0
150.12761	0.9
153.09134	1.0
159.11696	4.7
160.11235	2.2
161.13290	2.6
162.09116	0.8
163.06073	1.0
163.14877	1.4
164.10733	0.7
170.09656	0.8
170.11772	2.3
171.11743	0.7
173.13280	3.5
175.14902	1.2
177.16403	0.8
178.12253	12.7
187.14865	2.0
188.10675	2.2
196.13417	0.6
206.11742	3.8
208.13275	1.2
224.12813	10.6
224.26204	0.6
226.14362	1.5
227.12849	1.2
233.22606	0.7
242.13910	2.1
243.21092	3.5
261.22119	11.7
280.15469	10.3
297.22089	0.9
298.16483	91.4
299.16864	1.1
314.24750	0.7
315.23184	1.8
316.17581	1.8
317.24802	1.6
335.25787	85.6
336.26294	0.7
530.38525	0.7
540.37195	3.8
541.37152	0.8
558.37866	88.6
559.38135	2.2
576.38892	13.9
702.41333	0.9
769.40906	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	887.2593
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03929	1.9
67.05492	1.4
68.99780	4.4
69.03424	10.1
71.04990	21.8
71.61203	1.0
73.02912	1.4
73.13503	0.7
75.04474	1.0
77.03946	0.7
79.05475	1.3
80.11518	0.9
81.03426	3.4
83.01312	0.9
83.04964	2.0
85.02900	43.8
86.03208	1.2
87.04479	1.5
89.03882	1.0
91.03978	1.2
91.05479	1.1
93.03413	1.6
95.04961	2.4
97.02889	5.5
99.04471	1.1
102.55136	0.7
105.03413	0.9
107.04932	4.7
108.50581	0.8
109.02897	4.7
111.00801	4.4
111.04441	16.2
119.04939	2.9
121.02825	1.4
121.06497	1.3
123.04422	100.0
124.04816	1.2
125.05974	1.0
127.03910	47.3
129.05478	6.8
131.04913	2.7
131.08580	0.8
133.06474	1.1
135.04410	50.5
136.04753	2.4
137.02368	4.0
137.05995	1.6
139.03893	84.4
140.04257	1.7
145.02869	1.2
145.04955	2.5
145.06432	1.2
147.04404	13.7
147.06453	1.6
149.02335	5.8
149.05977	2.8
149.19577	0.7
150.03003	1.2
151.03897	33.8
151.05130	1.7
153.05412	1.0
155.04909	1.5
157.06471	1.1
159.04428	3.5
161.05879	4.0
163.03899	50.1
163.07567	1.3
164.04262	2.0
165.05457	6.1
167.03365	3.4
169.04942	1.4
169.06487	1.0
171.04361	1.2
173.05963	4.0
175.03922	3.3
177.05492	4.9
179.03378	5.4
181.04953	6.6
181.06502	1.5
183.04448	1.5
185.06024	2.1
187.03877	4.5
187.07497	1.1
189.05492	4.5
191.03375	7.7
193.04951	5.0
197.06061	2.7
199.07510	1.1
201.05487	9.4
203.03362	5.0
203.06996	3.2
205.04961	9.1
207.06549	1.9
213.05530	3.7
215.03462	1.8
215.07047	3.4
217.04950	3.4
219.06516	2.0
225.05537	2.4
227.06970	2.0
229.04990	10.3
231.06523	9.4
233.04410	3.6
237.05415	1.4
239.07172	1.0
241.04951	3.5
243.06509	5.3
245.04417	4.4
247.06023	45.6
248.06355	1.4
249.07567	3.9
251.05391	1.0
253.04927	2.1
255.06471	3.1
257.04449	12.6
258.05063	2.4
259.06036	9.5
261.07599	11.6
267.08759	5.1
269.04507	7.0
270.04904	1.2
271.05994	26.0
271.08786	1.7
272.06381	0.9
273.07556	35.1
274.07745	1.2
275.05444	7.7
281.04318	1.8
283.05933	7.8
285.07529	3.2
285.10074	1.8
287.05539	11.8
289.07056	81.3
290.07355	1.9
291.08707	7.3
295.05923	3.6
297.07562	1.9
299.05414	7.7
301.07013	10.3
302.07385	1.0
303.08624	2.3
307.05856	1.3
309.09711	2.2
311.05435	3.4
313.07050	5.3
315.08813	1.8
321.07672	2.2
323.05283	2.0
325.06845	1.8
329.06601	1.1
331.07941	2.1
337.07120	1.3
339.08533	2.5
341.06512	1.4
343.07968	1.2
349.07059	3.6
351.08603	0.9
353.06696	1.4
355.08145	2.3
357.09830	1.7
367.08099	5.4
375.10648	1.4
379.08145	2.2
385.09344	1.0
391.08176	0.9
397.09219	1.8
399.10513	1.4
401.12152	1.9
403.10400	4.3
409.09164	13.4
410.09235	1.5
411.10779	6.4
415.10086	1.8
417.11844	1.1
419.13324	2.0
427.10208	13.6
429.11844	5.7
433.10718	1.8
435.11365	4.6
437.13800	2.6
447.13062	1.7
451.12216	7.9
453.11563	6.3
469.11179	3.0
475.10159	1.6
519.12708	2.9
520.78851	0.9
537.13885	4.0
539.15265	1.1
555.14954	13.8
561.14105	1.6
573.16046	9.1
579.14801	5.4
589.14886	1.2
591.14771	0.8
827.21063	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	887.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03934	2.1
67.01858	0.9
67.05495	1.5
68.99418	0.9
68.99778	6.0
69.03427	10.0
69.28669	1.1
69.29080	4.7
71.01355	0.6
71.04993	24.0
73.02903	1.6
75.04467	0.6
77.03941	0.6
79.05473	1.4
81.03413	3.8
83.01354	0.5
83.05001	2.5
85.02903	39.9
87.04468	1.4
89.03908	1.2
91.03915	0.6
91.05476	1.0
93.03394	1.9
95.04948	3.1
97.02907	5.1
98.20764	1.0
99.04458	1.7
103.03983	0.8
103.05482	0.5
105.03376	1.1
105.07010	0.6
107.01311	0.6
107.04967	5.1
109.02872	3.7
111.00800	5.4
111.04443	13.4
111.14348	0.5
115.05456	0.6
116.69166	0.5
117.03347	0.9
117.06972	0.9
119.04932	2.0
121.02857	1.8
121.06539	1.0
123.04424	89.7
123.61449	0.5
124.04748	0.7
127.03912	86.9
129.05479	7.5
129.06990	1.0
131.04924	2.8
133.06514	1.0
135.04414	57.0
136.04778	0.7
137.02321	7.3
137.05937	1.9
138.64764	0.5
139.03896	99.4
140.04248	0.9
143.04961	1.0
145.02837	1.0
145.04915	2.6
145.06473	2.1
147.04396	11.8
147.06430	2.7
148.49713	0.5
149.02350	6.3
149.05959	2.8
150.03085	0.7
151.03899	34.8
152.04584	0.6
153.05428	1.2
153.06995	0.8
155.03413	1.7
155.04910	1.8
157.06476	1.6
159.04428	4.4
161.05963	5.5
162.92390	0.5
163.03903	64.8
164.04288	0.5
165.01831	0.7
165.05472	7.2
167.03377	7.4
167.04778	0.8
169.04948	2.1
169.06404	1.2
171.04378	1.1
173.02357	0.6
173.05980	4.8
175.03915	5.4
175.07608	0.7
177.05441	6.6
179.03372	5.7
179.07060	1.0
181.04965	5.4
181.06514	1.3
181.73573	0.7
183.04373	2.7
185.05992	2.7
187.03909	8.9
187.07518	1.4
189.05481	5.3
191.03375	13.8
193.04959	6.0
197.05959	3.8
201.05449	11.9
203.03375	8.0
203.07027	3.0
205.04961	10.0
207.06485	1.4
209.05965	0.6
211.07561	0.6
213.05476	3.7
215.03392	2.3
215.07050	3.8
217.04930	4.3
219.06505	2.4
221.04370	1.0
223.05870	0.7
225.05435	2.0
227.06995	2.1
229.04948	16.3
231.06526	8.1
233.04442	7.5
235.05878	0.7
237.05434	2.1
237.07535	1.2
241.04933	3.9
243.06511	7.9
245.04396	5.3
247.06013	62.3
248.06253	0.8
249.07631	2.8
251.05537	3.0
253.04880	2.8
255.06483	5.8
255.08644	0.8
257.04456	13.5
258.05093	1.4
259.06006	15.3
261.07565	10.7
265.04959	1.9
267.08682	4.5
269.04416	5.8
271.05988	31.6
272.06351	1.1
273.07547	30.2
275.05466	12.6
281.04388	1.7
281.08328	0.8
283.05951	17.7
283.08939	1.0
285.07559	3.6
285.09930	1.8
287.05487	18.2
289.07053	100.0
290.07294	1.5
291.08609	10.7
295.05966	3.3
297.07504	1.4
299.05444	7.7
299.08484	0.7
301.07028	21.1
303.08636	4.4
307.05997	0.8
309.09991	0.7
311.05447	1.6
311.08951	0.9
313.07089	7.4
315.08594	3.3
317.06531	0.7
321.07599	1.8
323.05469	1.4
325.06915	3.6
329.06601	1.0
331.08118	4.9
333.09702	1.7
337.07043	1.7
339.08630	2.0
341.06616	1.1
343.07932	1.1
344.23090	0.5
349.07022	2.2
351.08298	0.6
353.06235	0.8
355.08118	4.6
357.09634	3.4
363.08127	0.6
367.08185	4.4
369.09586	0.9
375.10727	5.7
379.08005	1.1
381.09479	1.8
383.11395	1.2
385.09073	1.5
385.36951	0.6
387.10602	0.8
391.09885	2.0
393.12109	2.9
397.09296	1.1
399.10706	3.5
401.12222	1.8
403.10330	4.8
409.09058	17.7
410.09528	0.6
411.10727	4.7
415.10361	1.6
417.11777	5.0
419.13635	3.2
421.09503	0.9
427.10233	25.3
428.10559	0.8
429.11984	1.6
433.11548	3.0
435.12357	4.1
437.14511	5.2
439.09979	1.1
445.10901	0.8
447.13217	0.7
451.12421	10.1
453.11804	5.0
463.12280	1.7
469.11624	3.3
475.10190	0.7
493.11252	0.6
503.58698	0.6
519.12811	1.7
537.14105	3.0
553.13660	1.0
555.14966	5.8
561.13916	1.3
571.14050	1.6
573.16083	2.8
579.15198	6.0
589.15448	1.9
597.17542	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03896	0.3
67.05476	0.6
68.99777	1.7
69.03426	1.7
70.20045	1.2
70.29490	0.3
71.01335	0.4
71.04986	12.0
73.02890	0.4
75.04449	0.6
77.03938	0.3
81.03395	0.4
83.01320	1.8
83.04942	0.8
85.02895	13.0
91.05432	0.4
95.04961	0.4
97.02855	1.0
107.04918	0.6
109.02826	0.5
111.00764	1.0
111.04430	1.8
115.05399	0.6
119.04890	1.1
123.04416	21.2
125.02341	1.1
127.03912	4.0
128.06212	0.3
129.05435	1.9
129.06950	0.3
131.08510	0.3
135.04428	1.8
137.02338	0.3
139.03889	26.0
141.06961	0.9
143.04877	0.6
145.06465	0.8
147.04401	3.6
147.06497	0.3
149.02341	0.4
149.05975	0.4
151.03891	2.1
153.01746	0.4
155.03412	3.0
155.04671	0.4
157.06454	1.2
159.04361	0.5
159.08023	0.5
161.05972	2.8
163.03894	5.2
165.01810	0.4
165.05505	1.6
169.05115	0.3
169.06450	1.0
171.04349	0.3
173.06007	2.1
175.03906	1.1
175.07507	1.3
177.05481	1.2
179.03375	3.5
181.04953	0.7
181.06404	0.6
183.04364	0.5
185.05934	2.0
187.03844	1.5
187.07503	1.0
189.05447	2.1
191.03358	0.8
193.04916	0.7
197.05940	2.3
199.03818	0.4
200.04668	0.4
201.05446	5.0
203.03389	1.7
203.07001	1.3
205.04987	1.0
209.05986	0.5
211.03856	0.6
211.07443	0.5
212.04762	0.4
213.05443	3.2
215.03618	0.6
215.06993	8.8
217.04976	1.4
219.06506	0.9
221.04230	0.4
223.07564	0.5
225.05458	2.7
226.06175	0.3
227.03426	0.4
227.06985	2.0
229.04938	7.6
230.05678	1.7
231.06444	1.7
235.07610	0.4
237.05408	1.4
239.07024	1.0
241.04958	2.5
242.05711	1.1
243.06508	9.4
244.03653	0.5
245.04364	1.6
247.05963	2.1
249.05443	0.3
250.06090	0.5
251.06921	0.6
253.04932	5.5
255.06468	2.7
255.08601	0.3
257.02185	0.2
257.04428	16.8
258.05182	4.9
259.05994	18.3
260.06519	0.5
263.07019	0.7
265.04865	1.4
266.05792	0.5
267.06421	1.6
269.04428	3.2
270.05176	1.2
271.05975	25.7
272.06601	0.9
273.07501	0.5
277.04932	0.6
279.06601	1.3
281.04388	2.5
282.05246	1.3
283.05963	4.3
285.04068	0.5
285.07355	0.4
287.05380	4.8
289.07153	0.8
291.06534	0.9
293.04300	0.8
293.07822	0.4
295.05927	2.6
297.04010	0.6
297.07477	0.9
299.05478	53.7
300.05811	0.4
301.07043	6.2
303.06393	0.8
305.04657	0.4
305.07758	0.5
307.05972	0.9
309.04074	0.6
309.07593	1.2
311.05463	3.7
313.07111	1.2
317.07971	0.3
319.05856	1.4
321.07700	0.6
323.05548	1.7
325.07150	1.0
327.04901	0.5
329.06717	0.5
331.06000	0.4
333.07547	1.7
335.05563	0.9
336.06177	0.4
337.06870	1.4
341.06787	0.9
343.05896	0.7
345.07700	0.4
347.05545	1.0
349.06985	0.6
351.08383	0.7
361.06915	2.3
365.06528	1.5
367.08276	0.5
371.05365	0.5
373.07065	0.5
375.08673	0.5
377.06357	0.5
379.08038	2.2
381.09763	0.3
387.08636	0.4
389.06531	2.6
391.08133	4.1
392.08841	0.3
393.09576	0.6
397.09335	1.5
403.07932	0.7
405.09808	0.5
407.07568	16.3
409.09167	11.1
410.09225	0.3
419.07422	1.8
421.09189	2.6
425.08633	100.0
426.08899	1.5
427.10104	0.6
431.07739	1.4
433.09134	3.7
437.08585	4.8
439.10526	0.7
445.09128	0.5
449.08615	8.9
451.10196	6.9
457.09549	0.4
461.08835	2.0
467.09702	5.4
473.08762	1.2
475.10455	0.7
479.09787	1.4
491.09726	3.6
499.10251	0.7
503.09366	0.5
517.11273	2.8
533.10687	0.8
535.12341	3.0
541.11237	1.8
543.12750	0.4
551.12250	0.7
553.13336	5.7
559.12323	13.7
565.12067	0.5
569.12817	3.5
571.14410	3.2
577.13434	7.5
583.12305	1.2
587.13940	3.7
595.13922	0.5
601.13458	1.4
613.14606	0.4
625.13574	0.8
651.15015	0.8
669.15747	0.9
687.17548	0.7
703.16724	0.5
705.18231	0.9
721.17444	0.4
739.18286	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	882.5415
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03921	0.3
67.05499	10.6
69.03433	2.0
69.07062	5.8
71.04993	1.7
71.08629	11.6
71.52037	0.6
73.02913	2.2
79.05489	8.3
81.03413	25.9
81.07051	14.8
83.04975	6.2
83.08615	13.2
85.02901	15.5
85.06498	1.0
85.10178	6.7
87.04447	0.5
89.05968	0.8
91.03946	5.3
91.05472	11.8
93.06490	0.3
93.07035	6.6
93.45826	0.3
95.04966	10.9
95.08603	11.3
96.06125	0.3
97.02882	5.0
97.06519	1.7
97.10155	3.5
99.04411	0.9
99.08029	0.8
99.11718	0.5
103.07554	0.4
105.07024	8.3
107.04949	3.0
107.08582	3.5
109.02816	0.4
109.06525	1.6
109.10159	5.0
111.04397	0.9
111.08074	4.9
111.11699	0.5
113.05970	0.9
115.03857	0.3
115.05408	0.4
117.06896	0.5
119.07822	0.6
119.08582	7.1
121.06486	0.7
121.10140	3.6
123.08012	1.0
123.11710	2.5
125.09563	0.7
127.03903	1.9
129.07010	4.3
131.08554	4.5
133.06425	1.1
133.10123	5.4
137.09544	0.7
137.13234	0.8
142.07794	1.3
145.04965	2.0
145.10066	0.6
147.08046	1.4
147.11676	7.0
149.09599	2.1
151.11130	0.3
151.14870	0.4
157.10124	7.3
163.06024	2.7
163.11119	0.6
165.12740	1.4
175.11156	6.8
193.12234	20.9
197.41898	0.3
211.13277	36.6
212.13640	0.4
223.43692	0.3
239.23668	1.4
257.24756	0.8
267.15912	14.6
285.16943	57.2
286.17239	0.7
313.27347	55.9
314.27686	1.0
426.79718	0.3
445.76749	0.3
505.38895	13.2
506.39233	0.5
523.39923	100.0
524.40314	2.6
667.44318	0.7
889.77344	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	878.5102
Annotation	Pseudostellarin E
Peak:m/z	Relative Intensity
61.02917	3.4
65.03939	1.3
66.87958	0.4
67.05503	14.0
68.01391	0.8
68.05032	0.9
69.03423	1.2
69.07070	5.6
69.27094	1.2
69.27513	3.2
70.02943	2.9
71.04990	1.0
71.08630	16.8
72.04514	77.7
73.02917	1.8
73.04845	0.4
79.05489	11.4
80.05013	7.9
81.03413	1.3
81.07056	16.2
82.02927	2.7
82.06581	8.1
83.04975	1.3
83.08613	9.8
84.04502	1.2
85.02892	4.2
85.06568	1.8
85.09713	0.7
85.10182	9.8
89.06011	1.2
91.03954	3.4
91.05477	5.5
92.04991	0.5
93.05796	0.7
93.07037	5.0
94.06561	1.1
95.04990	1.0
95.08604	14.9
96.04491	8.8
96.08123	0.8
97.02878	2.5
97.06543	0.4
97.10165	5.2
98.06030	1.0
99.11732	0.7
103.07592	0.5
105.07036	2.7
106.06597	1.0
107.04961	1.1
107.08597	5.5
108.04475	12.0
109.02892	0.5
109.05261	1.5
109.06538	1.3
109.10157	6.8
110.06037	5.0
111.11710	0.9
111.47972	0.4
115.03937	0.3
115.05463	0.6
117.07023	2.7
117.09109	0.5
118.06541	0.7
119.08567	1.6
120.04539	0.5
120.08109	1.1
121.10111	0.6
122.06032	2.8
122.09716	0.7
123.11711	1.9
124.11244	3.2
125.09631	1.1
126.05566	0.9
127.03942	1.0
128.06206	0.5
132.08092	1.0
133.10133	0.5
135.08034	3.7
136.07642	0.9
137.09608	0.5
137.13277	1.1
140.07045	0.5
145.05009	0.9
150.09116	0.5
152.10634	0.4
153.09081	0.5
160.11182	2.3
162.09143	0.4
162.12752	0.5
163.06073	0.7
164.10788	0.7
170.09669	0.4
170.11795	1.5
178.12262	9.6
178.13695	0.7
188.10692	2.4
189.11237	0.4
196.13358	0.9
206.11761	3.4
221.22643	0.4
224.12801	7.9
227.12849	0.8
239.23700	1.4
242.13972	1.4
257.24792	1.3
280.15445	7.6
298.16479	100.0
299.16782	1.5
313.27347	73.6
314.27704	1.1
366.79343	0.4
536.39478	73.1
537.39874	2.5
554.40509	5.4
680.42963	0.6
698.45258	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	871.2641
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02917	1.5
65.03931	1.3
67.05491	1.2
68.99779	5.5
69.03420	8.8
70.91508	1.2
71.04987	23.9
73.02911	1.1
75.04459	1.0
79.05482	1.9
81.03414	3.2
83.01347	0.7
83.04976	2.5
85.02897	43.4
87.04476	1.2
91.03941	0.8
91.05465	4.2
93.03391	0.6
95.04964	9.4
97.02888	6.0
98.97593	0.5
99.04415	1.1
105.04481	0.5
105.07049	1.0
107.04944	94.3
108.05301	0.7
109.02869	2.7
111.00807	3.4
111.04437	3.5
115.05445	1.1
119.04932	56.1
120.05279	0.7
121.02856	8.9
121.06492	1.4
123.04417	50.6
124.04799	0.5
125.05975	0.6
127.03912	6.2
129.05470	6.2
129.06989	0.7
131.04889	2.5
133.06487	5.3
135.04402	5.3
137.02330	1.7
137.05936	1.3
139.03891	46.3
141.01865	0.9
141.06944	0.8
145.05081	2.2
145.06468	8.7
147.04398	54.3
147.06416	2.1
148.04774	0.6
149.02324	7.9
149.05945	1.7
150.03058	0.6
151.03893	32.5
153.01810	0.5
153.05406	1.3
153.06931	0.8
155.03365	1.3
155.06133	0.5
155.08534	0.7
157.06464	4.2
159.04405	1.4
159.08006	1.3
161.05986	6.7
163.03891	17.5
165.01807	0.7
165.05469	6.5
165.06888	0.9
167.03395	9.4
167.04759	0.4
169.05110	0.6
169.06497	1.7
171.04378	7.9
171.08067	1.7
173.02382	0.6
173.05988	1.6
175.03873	4.5
175.07455	0.7
177.05463	2.8
179.03386	10.3
179.06999	0.7
181.04951	4.6
181.06474	2.0
183.08047	1.8
185.05957	6.0
185.09689	0.5
187.03879	2.9
187.07532	3.5
189.05464	10.8
191.03380	13.7
192.04170	0.6
192.34299	0.4
193.04926	3.6
194.36063	0.5
197.05957	3.7
199.03813	0.7
199.07550	2.8
201.05463	3.9
203.03360	8.5
203.06999	3.1
205.04953	5.6
207.06477	2.6
211.07480	1.9
213.05486	8.0
215.03351	1.9
215.06984	7.4
217.04936	2.7
225.05386	1.7
226.06128	0.6
227.07002	5.3
229.04950	4.5
230.05434	0.6
231.06505	74.0
232.06929	1.4
233.04405	6.2
237.05333	0.7
239.07037	6.0
241.04996	1.4
243.06508	18.7
245.04468	5.2
245.08080	12.8
247.05792	1.1
249.07533	2.1
251.05261	2.6
253.04945	0.9
255.06491	19.5
257.04459	12.0
257.08063	34.0
258.05106	0.9
259.06000	1.2
261.07544	0.7
267.06390	14.9
267.08664	2.1
269.04410	5.5
269.08008	2.6
270.04889	0.5
271.06079	2.6
273.07544	100.0
274.07867	1.2
275.05484	12.7
275.09021	1.5
279.06339	2.2
279.09039	0.7
281.04251	0.6
281.07947	1.5
283.05765	1.0
285.07434	17.4
286.07568	0.7
287.05475	16.3
287.08780	0.9
291.08603	6.9
293.08154	0.6
295.06091	1.0
297.07477	9.0
299.05447	7.2
299.08945	1.1
301.09192	0.5
303.08609	2.9
305.08124	0.7
307.09683	0.6
309.07260	2.3
311.05426	1.6
311.08975	1.0
315.08624	5.3
317.06470	0.9
321.07535	1.9
323.05551	1.0
323.09052	1.5
325.06757	1.0
327.08566	1.5
329.06216	0.6
333.09500	1.3
339.08563	4.9
341.06512	0.9
341.10178	2.4
345.09668	0.7
349.06964	1.0
351.08621	1.2
353.06439	0.6
357.09625	1.2
359.11234	5.1
365.10150	1.8
367.08047	2.7
367.11877	1.1
369.09827	0.5
373.12762	0.7
375.11017	2.1
377.11899	1.7
379.08090	0.7
381.09390	0.6
383.11276	2.7
385.12918	0.9
391.08032	0.9
393.09491	9.2
395.11209	3.5
399.10532	1.5
401.12396	4.5
403.09885	3.5
403.14221	0.4
407.10883	0.8
409.09033	6.5
411.10733	18.2
413.12411	0.9
417.11371	1.8
419.13657	4.5
421.11649	2.0
423.10571	1.3
427.10300	5.9
431.13669	0.7
435.12854	13.3
437.14359	4.8
447.12823	1.7
453.12332	1.3
469.11041	0.7
503.13120	1.0
519.12732	0.6
521.14105	1.5
523.15961	0.8
537.13379	1.1
539.15167	2.4
545.14203	0.9
555.14752	3.1
557.16449	1.4
563.15521	5.1
571.14160	0.8
573.15497	2.1
763.84235	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.4525
Annotation	Unknow
Peak:m/z	Relative Intensity
59.94756	1.5
61.02924	56.0
65.03929	2.8
67.05503	59.6
69.03427	6.6
69.07076	12.2
70.06587	2.2
71.04989	4.9
71.59296	2.1
73.02915	22.7
73.67047	1.5
75.04516	1.6
79.05486	27.4
81.03409	2.6
81.07056	67.2
83.08579	7.3
85.02903	79.3
85.06541	2.7
91.03951	73.9
91.05470	17.4
93.07040	45.2
94.61645	1.8
95.04980	2.2
95.08604	53.7
97.02887	39.3
97.06521	1.5
97.10162	4.1
99.04463	5.4
99.08095	1.5
103.03943	2.7
105.07015	12.4
107.08597	29.6
109.02909	2.1
109.10150	34.1
109.98369	1.3
115.03910	3.6
117.06995	5.5
119.08574	13.4
121.10144	31.2
123.11703	13.4
127.03919	28.8
131.08575	16.3
133.10146	12.4
135.11688	27.6
137.09622	2.3
137.13245	6.5
139.11177	2.6
145.04948	45.3
145.10109	13.4
147.04370	2.5
147.11678	13.1
149.13261	16.5
151.11140	2.0
151.14842	2.8
159.11719	12.2
161.13290	9.8
163.03894	4.2
163.06007	80.8
163.14827	15.8
165.12822	2.2
173.13278	15.4
175.14836	4.1
177.12724	2.1
177.16408	4.7
179.14293	4.0
181.12154	1.8
187.14851	8.3
201.16328	2.4
204.08594	2.1
205.15897	2.5
215.17992	2.5
219.17406	2.1
233.22539	2.2
243.21085	35.8
261.22141	98.3
262.22620	2.5
263.23941	2.6
279.23236	6.6
325.11224	5.8
335.25818	39.0
345.10397	2.0
353.26865	100.0
354.27612	1.5
497.30966	11.4
616.43378	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.4371
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02925	7.3
67.05499	20.7
69.03419	5.9
69.07069	5.7
69.48429	7.1
71.04983	5.8
73.02915	2.2
73.42474	0.8
79.05057	1.4
79.05493	22.2
81.03414	69.6
81.07053	23.6
83.04980	15.7
83.08615	26.8
83.09109	1.2
85.02901	37.1
85.06542	1.7
91.03967	5.8
91.05479	33.4
93.07041	17.7
93.34697	0.7
95.04964	27.2
95.08600	9.2
97.02888	8.5
97.06538	5.4
97.10176	4.3
99.04441	1.3
99.08076	1.1
101.09583	0.7
103.05480	0.9
105.07028	24.8
107.04955	8.3
107.08571	7.0
109.02904	1.0
109.06536	5.0
109.10154	2.5
111.04433	3.1
111.08074	11.6
113.05997	3.3
114.14260	0.7
115.05453	1.9
117.07005	1.7
119.04990	1.3
119.08581	20.3
121.06507	2.2
121.10145	10.9
123.04463	1.0
123.08045	2.3
123.11726	1.7
125.05996	0.9
125.09623	2.3
127.03924	2.2
129.07011	11.1
131.08557	12.3
133.06474	3.5
133.10126	12.5
135.11705	1.0
137.05957	1.8
137.09666	1.8
142.07790	3.6
145.04945	2.0
145.10114	1.3
147.04395	1.3
147.08041	3.8
147.11684	18.0
149.09615	7.3
151.11214	0.9
157.10139	16.5
159.11652	1.0
163.03894	6.7
163.05978	1.6
163.11111	1.3
165.12732	3.4
167.07053	8.0
168.07413	2.0
175.11169	19.8
181.04936	2.4
191.07100	1.1
193.12244	50.5
211.13286	76.6
235.24675	0.8
249.14830	1.2
267.15906	45.8
273.14865	1.3
285.16946	79.8
286.17041	0.9
300.17355	0.8
367.22629	3.1
385.23669	5.9
403.24783	2.1
417.15549	1.0
433.25809	2.1
441.26361	1.8
459.27417	37.5
477.28467	39.0
495.29526	100.0
496.29904	2.2
621.32568	1.4
639.33130	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	849.2761
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04974	0.2
61.02904	0.2
63.02372	0.2
69.03429	1.2
71.01357	0.3
71.04990	10.7
71.61442	0.2
73.02923	0.3
75.04466	0.4
79.05484	0.4
81.03423	0.6
83.04978	1.0
85.02902	12.9
87.04472	0.2
89.03909	1.5
97.02886	2.5
99.04446	0.3
101.06035	0.1
107.04961	0.7
109.02888	0.2
111.04441	0.4
117.03371	2.0
123.04430	0.2
127.03911	0.5
129.05473	4.9
135.04408	6.9
137.81851	0.1
145.02838	6.1
145.04858	0.3
147.06514	2.1
149.05940	0.2
162.03156	0.3
163.03896	100.0
164.04282	0.8
165.05505	0.3
181.04987	1.9
182.04483	0.5
186.05521	0.3
199.78868	0.1
200.05588	0.2
222.20984	0.1
237.07654	0.1
245.08234	0.2
255.08498	0.2
265.07111	0.2
273.07513	0.3
274.47186	0.1
291.08636	0.7
307.08124	0.6
309.09665	3.0
325.09164	32.4
326.09393	0.3
435.12701	0.2
471.09113	0.2
471.15085	2.0
481.46805	0.1
601.49188	0.1
670.98297	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	829.5064
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02924	5.2
65.03954	0.3
67.05505	5.5
69.03429	3.7
69.07059	1.4
70.20776	1.5
71.01353	0.4
71.04996	0.7
73.02915	3.7
79.05489	3.7
81.03411	1.8
81.07053	4.8
83.04964	0.3
83.08623	0.5
85.02899	4.8
87.04449	0.3
91.03951	3.6
91.05470	3.0
93.07034	4.3
95.04964	0.7
95.08601	3.5
97.02890	4.5
97.06515	0.3
97.10186	0.4
99.04460	1.2
101.02358	1.9
105.07036	2.0
107.08600	2.0
109.02856	0.6
109.10147	1.8
115.03928	0.4
117.07034	0.8
119.08607	1.7
121.10122	1.4
123.08147	0.3
123.11661	0.4
125.71332	0.3
127.03893	1.5
129.06998	0.3
131.08603	1.0
133.10153	1.0
135.11742	0.9
143.08612	0.3
145.04976	0.4
145.10155	0.8
147.11681	0.6
149.09549	0.3
149.13333	0.4
159.11754	0.6
185.04228	0.7
236.32372	0.2
243.08360	2.4
247.13113	0.3
315.19214	0.3
333.20309	4.6
335.25784	0.7
465.20956	2.2
469.90005	0.3
509.55026	0.3
519.29260	8.0
520.29102	0.4
545.79553	0.4
551.28339	3.4
555.40027	0.3
686.04388	0.3
743.43121	1.2
751.27405	0.3
829.50629	100.0
830.51007	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	829.5063
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02918	5.2
66.92883	0.7
67.05502	5.6
69.03423	4.8
69.07066	1.1
71.51912	1.3
73.02897	4.4
79.05503	4.1
81.03401	2.5
81.07059	5.9
83.04981	0.8
83.08604	1.2
84.29748	0.7
85.02908	6.1
85.06519	0.6
85.29083	0.6
91.03946	2.4
91.05492	2.9
93.07028	4.3
95.08615	4.8
97.02901	5.0
99.04469	1.1
101.02360	2.1
105.07027	2.1
106.35086	0.7
107.08602	2.3
109.06457	0.9
109.10172	1.5
117.07033	0.9
119.08588	1.7
121.10140	1.8
124.80245	0.7
127.03929	0.9
131.08578	1.1
133.10106	0.7
147.11682	1.1
185.07767	0.7
243.08472	2.1
246.44075	0.7
269.59659	0.7
333.20480	3.8
335.26031	1.2
519.29218	7.4
533.87756	0.8
551.28552	4.2
552.29620	0.8
603.21442	0.8
829.50647	100.0
830.50458	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	825.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
59.90708	0.4
61.02921	1.0
69.03419	3.1
71.04994	6.5
72.05328	0.6
73.02911	3.9
74.01521	0.4
74.12841	0.4
81.03423	1.0
84.96057	0.9
85.02905	13.0
86.03248	1.1
87.04454	0.7
91.03963	0.5
91.05504	2.0
97.02895	3.3
98.97575	4.1
99.04475	0.6
101.90722	0.4
107.04966	1.2
109.02872	0.9
110.97632	0.6
111.04423	0.6
114.14720	0.4
115.03927	0.6
116.98607	3.6
117.03542	0.4
119.02000	0.5
119.04913	2.8
121.06516	0.8
123.04462	0.8
127.03893	2.9
128.98654	1.8
129.05531	1.4
131.00175	1.0
131.01872	0.9
134.99669	2.3
135.04443	1.3
137.05968	3.0
139.03929	0.9
143.00194	0.6
145.02864	0.6
145.04997	2.0
146.99655	2.2
147.04440	1.0
149.01263	1.1
151.03845	0.5
151.07484	2.1
157.03490	0.8
158.99689	1.7
161.01256	2.8
161.02962	1.0
161.05997	0.6
162.59146	0.4
163.03917	7.7
164.04247	0.9
170.99641	0.9
173.01344	1.1
173.02979	2.0
177.00723	3.1
182.03273	0.7
182.99667	0.5
184.04854	0.4
185.03020	0.5
187.04439	1.3
189.00703	2.6
190.96289	0.5
191.02345	0.7
191.03931	1.3
193.01726	0.6
195.01805	0.8
197.01244	1.2
199.02779	0.6
200.04500	1.0
201.00766	1.7
203.02255	0.6
207.01717	0.7
209.03346	0.5
211.02853	1.2
213.00813	0.5
219.01749	5.7
225.06070	0.5
229.03938	1.3
231.01822	0.7
237.00720	0.6
237.02811	7.7
238.03273	0.7
239.02238	0.8
242.06261	1.0
242.56331	0.4
245.05072	1.2
249.02928	0.7
251.06992	1.4
253.03813	0.8
255.01894	1.2
255.04184	0.6
260.07242	0.9
260.57504	0.5
261.02945	1.8
263.04691	0.6
272.06729	0.5
273.02945	1.7
279.03934	1.0
281.07205	2.0
281.57217	1.0
282.07260	0.6
289.07236	0.6
291.05450	0.4
317.09244	0.5
321.05069	0.6
321.10251	1.1
325.08810	0.6
332.09448	1.2
332.59860	0.6
337.05801	1.0
339.07574	0.7
339.11646	0.5
341.09964	2.9
341.60138	2.8
342.10458	0.5
355.07056	0.8
357.08606	1.1
362.09573	3.3
362.59763	2.1
363.09818	0.7
373.08209	1.8
406.11298	1.8
406.61716	0.8
407.11343	1.1
408.10233	0.5
413.11322	1.0
413.61453	0.8
422.12488	5.9
422.62720	6.6
423.12820	2.4
429.12775	0.6
458.14093	0.6
466.14337	0.5
466.64630	1.4
469.10486	1.2
473.65259	0.7
474.13934	0.5
479.05051	0.5
482.15680	0.9
482.66040	2.1
483.04184	0.6
483.15845	2.2
517.11005	0.5
581.15222	0.5
633.17096	1.7
679.15631	1.0
825.22040	100.0
826.22205	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	824.5507
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00560	1.2
61.02915	3.4
65.03934	3.8
67.05502	92.5
69.03423	6.3
69.06715	2.2
69.07066	25.8
70.78844	3.7
71.04990	5.3
71.23058	1.3
77.90268	1.3
79.05488	63.2
81.03411	10.5
81.07052	91.6
83.04970	7.9
83.08615	13.3
85.02884	5.6
85.06537	5.0
91.04902	1.5
91.05478	56.1
93.07037	77.9
95.04959	12.1
95.08601	54.3
97.02907	2.3
97.06538	9.5
97.10158	4.8
99.08082	3.2
101.58902	1.4
102.71883	1.4
105.04483	1.9
105.07027	38.2
107.04947	5.2
107.08593	41.5
109.02893	2.1
109.06499	6.2
109.10157	20.4
111.04403	1.6
111.08078	4.2
115.05429	2.2
117.07007	18.7
119.08577	29.9
121.06570	2.0
121.10144	28.9
123.08070	5.5
123.11687	6.2
125.09625	3.0
127.03922	4.4
129.05510	2.3
129.06978	8.8
131.08575	23.8
133.10126	25.9
135.08060	2.6
135.11678	18.1
137.09639	3.1
137.13232	2.2
141.06947	2.0
143.08534	6.6
145.10114	17.8
147.07948	1.5
147.11665	15.0
149.09618	7.5
149.13226	12.3
151.11177	3.0
155.08554	3.6
157.10152	5.6
159.11674	13.1
161.13240	7.0
163.11223	4.6
163.14841	2.3
165.12785	1.7
169.10121	2.8
171.11667	3.0
173.04480	2.2
173.11842	2.4
173.13257	8.8
175.11171	2.1
175.14857	3.6
177.12669	2.6
179.14276	1.9
181.10046	1.4
183.11769	1.7
184.99583	1.3
185.13251	4.1
187.14769	3.7
189.16463	1.4
195.11710	1.5
195.13771	3.7
197.13214	2.3
199.14848	2.6
215.83444	1.4
229.14281	4.5
229.19513	1.6
233.18968	1.9
233.28101	1.4
235.16866	2.7
236.14771	1.5
239.17981	2.6
243.21059	1.8
247.20657	1.4
255.15892	5.7
257.19000	7.4
259.20544	3.2
261.22174	10.5
267.15878	1.7
269.17453	25.0
275.20050	19.8
277.21600	1.9
291.19571	2.2
293.21204	1.8
309.20563	4.9
317.24786	2.6
331.22772	1.4
333.24265	2.6
335.25787	100.0
336.26114	2.9
349.23709	21.5
367.24719	3.3
489.35504	2.6
515.37244	10.0
529.38910	56.9
530.39008	3.9
543.40497	3.7
551.40686	1.7
569.41888	14.1
609.45154	23.8
627.45947	7.0
779.01141	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	824.3331
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03931	3.4
67.05492	0.8
68.99812	0.6
69.03412	2.4
70.06586	1.0
70.73476	1.8
71.04966	1.6
75.04466	2.1
78.04686	1.8
79.05482	3.1
81.03381	1.7
85.02899	6.5
89.03931	0.8
91.05480	7.3
93.03410	8.1
93.07044	2.9
95.04955	4.0
97.02891	1.1
97.06528	2.6
103.05468	14.3
105.03374	1.3
105.07016	3.6
106.04166	12.1
107.04959	5.4
109.02802	0.7
109.06499	1.5
110.03666	0.9
111.04412	1.3
112.29595	0.6
115.05416	2.0
117.03380	0.9
117.07014	3.1
118.04147	2.5
119.04967	1.6
119.08584	0.7
121.06499	16.6
123.04413	2.6
124.05197	1.8
125.05981	5.5
127.03873	0.9
129.06960	0.9
130.04138	0.7
131.04921	12.2
131.44337	0.5
133.06474	3.8
134.03616	2.3
135.04369	2.0
135.08028	1.7
137.05969	4.6
139.07527	2.3
141.06967	0.8
143.04944	0.8
144.05690	1.2
145.02873	1.8
145.06506	4.7
146.03622	1.0
147.04419	2.2
147.08017	1.5
148.05170	6.7
149.05980	26.4
151.03900	1.9
151.07527	2.6
152.04646	1.4
153.05473	1.9
153.09087	7.9
157.06502	0.8
159.08102	1.4
160.05173	0.7
161.05965	5.6
163.03915	4.0
163.07538	14.1
165.05452	1.2
166.06265	0.7
167.07043	29.7
171.06567	3.3
173.06004	4.7
174.06743	0.6
175.07478	1.5
176.04655	1.4
177.05472	15.8
178.05956	0.7
179.07060	1.0
181.04958	40.4
181.08559	14.2
187.07465	2.1
189.05501	0.7
189.09009	0.6
190.06255	0.8
191.07028	50.7
192.07561	1.3
193.08589	1.9
195.06502	2.7
197.08049	1.3
201.05481	1.2
203.07022	1.9
205.06664	0.7
205.08575	3.7
207.06432	1.3
207.10167	1.0
209.08081	100.0
210.08438	1.3
217.08621	2.2
219.10118	3.2
221.07991	1.3
225.07639	0.8
231.06337	0.6
233.08069	3.1
235.07484	1.2
235.09656	2.7
237.09088	0.9
245.08086	1.4
263.09204	11.7
267.10062	2.0
276.07907	0.6
279.10120	0.6
293.08112	0.7
295.09756	1.1
297.11185	1.2
317.06625	0.7
325.10403	0.7
327.12259	1.0
329.14066	0.7
339.12451	0.7
357.13211	3.2
367.11752	1.4
369.13217	1.1
381.67233	0.7
385.12894	4.7
387.14456	1.0
399.14435	2.2
417.15448	23.9
579.20624	3.4
824.32251	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	824.5511
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02919	2.7
62.11894	1.1
65.03947	2.2
67.05504	46.5
69.03414	3.2
69.07057	18.9
69.27386	7.8
69.27804	4.7
71.04980	3.5
78.64553	1.1
79.05489	34.8
81.03393	2.2
81.07053	49.9
83.04980	2.9
83.08613	8.7
85.02898	2.6
85.06528	4.5
91.05473	31.0
93.07039	43.2
95.04948	3.2
95.08603	36.6
96.08878	1.1
97.02894	2.5
97.06512	4.6
97.10166	6.9
99.08066	3.7
105.07029	28.9
107.04957	2.4
107.08591	29.7
107.15284	1.1
109.02885	1.3
109.06466	3.1
109.10157	15.1
111.08064	2.5
115.05395	2.0
117.07000	15.5
119.07787	2.0
119.08569	26.7
121.06506	1.7
121.10128	17.0
123.08064	2.7
123.11713	5.7
125.09615	5.0
127.03927	2.1
128.06226	1.4
129.05432	1.5
129.06993	8.1
130.07721	1.5
131.08566	22.5
133.10121	18.3
135.08034	2.2
135.11682	10.6
137.13213	1.6
141.06940	2.0
143.08533	7.3
145.10110	23.4
147.08125	1.5
147.11691	15.2
149.09598	4.0
149.13225	4.4
155.08537	4.4
157.10110	10.1
159.11679	21.0
161.09627	1.5
161.13242	6.0
163.11168	3.8
163.14796	1.7
168.09332	1.4
169.10106	4.3
171.11642	5.5
173.13264	11.2
175.11215	1.7
175.14754	3.9
177.12733	2.8
177.16260	1.2
183.11690	4.5
185.13252	15.4
187.11113	1.4
187.14789	3.8
189.11250	3.0
195.11732	1.7
197.13251	4.5
199.14749	2.7
201.16443	1.6
203.14307	3.9
205.15930	1.6
206.80501	1.1
211.14783	2.2
213.16435	2.1
219.17438	4.6
226.18756	1.2
227.12727	8.2
229.14328	2.2
229.19553	2.8
239.18030	9.2
241.19502	1.9
243.20988	1.3
257.18985	22.9
259.20462	3.2
260.87671	1.1
261.22104	6.1
275.20029	27.8
293.20972	1.6
313.56094	1.0
331.22610	11.9
333.24152	4.7
335.25784	100.0
336.26181	2.0
349.23727	28.7
350.24524	1.2
351.25287	1.3
423.70551	1.3
489.35645	3.6
515.37366	2.6
517.40045	1.6
529.38861	2.7
535.41168	1.6
555.40253	3.6
569.41705	1.3
583.56433	1.2
591.43701	2.8
598.05078	1.2
609.45081	57.5
610.45190	3.3
627.46082	5.5
645.47882	1.4
661.42358	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	824.3329
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03945	2.3
65.04471	0.4
67.05488	1.2
69.03410	1.2
70.72353	1.3
71.04979	0.5
75.04453	1.4
78.04711	1.2
78.29926	0.4
79.05501	2.5
81.03423	0.8
82.04180	0.7
85.02910	2.3
86.62714	0.4
89.03896	0.5
89.06030	0.8
91.04987	0.4
91.05487	5.8
93.03408	7.5
93.07042	2.7
95.04973	3.5
96.05755	0.4
97.02883	0.5
97.06527	1.6
103.05471	7.6
105.03375	0.9
105.07024	3.5
106.04172	11.5
107.04955	4.4
109.06516	0.7
110.03601	1.0
111.04433	1.0
115.05462	2.2
117.03374	0.6
117.07021	1.4
118.04163	2.1
119.04916	1.2
119.08591	0.4
121.06506	15.2
122.03706	0.4
123.04425	1.8
123.08041	0.4
124.05164	1.0
125.05988	6.0
129.06917	0.5
130.04117	0.5
131.04924	8.1
132.05719	0.9
133.06485	3.5
134.03644	2.2
135.04408	1.3
135.08046	0.7
137.05965	3.2
138.03207	0.4
138.06741	0.8
139.07541	1.7
144.05705	0.4
145.02859	1.3
145.06473	2.9
147.04373	0.7
147.08026	1.1
148.05179	5.7
149.05983	24.5
151.03894	1.6
151.07570	1.9
152.04727	0.4
153.05521	2.2
153.07930	0.4
153.09099	6.7
159.08051	0.5
161.05972	5.1
163.03905	3.8
163.07539	9.0
165.05490	0.8
166.06206	0.5
167.07040	27.6
171.06544	1.7
173.05966	3.0
175.07520	1.7
176.04643	1.0
177.05463	16.0
177.09044	0.6
179.07033	0.6
181.04964	29.8
181.08563	13.5
182.05336	0.6
187.07526	1.2
189.05373	0.4
190.06238	0.7
191.07027	35.8
192.07654	0.6
193.05028	0.7
193.08652	1.8
195.06525	1.5
201.05504	0.6
203.06972	1.3
205.08598	1.3
207.06473	0.9
207.10204	1.0
209.08087	100.0
210.08441	1.0
217.08690	0.6
219.06337	0.6
219.08220	0.8
219.10204	1.4
221.09773	0.6
225.07475	0.6
233.08147	2.1
234.06746	0.7
235.07681	0.7
235.09679	1.8
245.08086	0.8
247.07614	0.5
249.09291	0.8
257.07867	0.5
263.09180	7.7
265.08502	0.6
267.10178	1.3
279.10086	3.6
295.09760	0.6
296.12756	1.2
297.11237	1.2
299.09061	0.4
307.09750	0.5
325.10556	0.8
327.12234	0.4
355.11545	0.5
357.13397	2.2
359.14999	0.5
367.11606	0.9
369.13361	0.5
385.12778	4.8
399.14481	1.4
408.32101	0.5
416.14514	0.5
417.15439	11.5
463.90399	0.5
613.22791	3.4
686.20435	0.4
729.61188	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.5357
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	8.8
57.07061	2.1
61.02910	1.4
65.03938	2.9
67.05502	58.2
69.03430	8.9
69.07064	28.9
69.29604	9.4
69.30034	5.7
71.04993	2.9
79.05489	42.3
81.03421	7.3
81.07053	53.8
83.04970	5.0
83.08608	11.3
86.09710	1.5
91.05476	25.5
93.07036	43.8
95.04967	10.2
95.08605	39.1
97.02884	12.1
97.06537	4.5
97.10173	13.5
98.20775	2.5
105.07036	19.7
107.04964	7.0
107.08591	23.0
109.06515	3.5
109.10148	16.9
115.37401	1.5
117.07007	9.3
119.08578	18.1
121.06503	3.2
121.10140	13.6
123.08059	5.0
123.11706	3.8
125.09641	11.0
129.06970	2.6
131.08582	14.4
133.06485	2.8
133.10129	9.0
135.08034	2.8
135.11673	10.3
137.09572	2.5
143.08542	4.3
145.10159	6.5
147.08031	4.8
147.11678	4.4
149.13255	5.4
151.11177	1.7
157.10115	1.6
159.11708	5.4
161.09608	1.8
161.13223	1.5
162.10384	1.8
165.09106	1.8
173.13240	1.9
175.11101	1.6
177.16423	2.0
184.07330	3.8
185.13196	1.6
189.11241	3.8
223.13310	22.3
227.12837	2.1
233.20630	1.4
243.20975	1.7
249.14857	3.3
255.17506	2.2
261.22079	7.7
273.18460	12.6
291.19525	100.0
317.24884	2.7
335.25784	84.6
361.23984	1.5
365.23242	48.7
365.84482	1.3
433.64954	1.4
478.01361	1.5
545.38086	3.2
607.43329	2.8
625.44574	95.6
626.44708	3.9
627.94366	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.484
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	19.6
57.07080	2.4
59.04992	3.7
59.06973	1.3
61.02916	7.1
65.03941	4.2
67.05503	100.0
69.03421	6.5
69.07071	15.0
71.04993	4.6
73.02912	1.7
78.04687	1.7
79.05489	44.1
80.42660	1.5
81.03419	51.8
81.07055	69.5
81.89794	1.7
83.04981	6.4
83.08611	20.7
85.02898	8.2
85.06548	4.5
87.04470	2.2
91.03951	4.0
91.04902	1.9
91.05476	40.5
93.07040	49.8
94.07809	1.7
95.04965	22.9
95.08605	43.4
97.02893	6.1
97.06534	5.7
97.10177	4.6
98.07317	1.7
99.08086	4.3
105.07024	31.2
107.04951	6.5
107.08590	31.3
109.06509	5.8
109.10152	56.6
111.08099	10.1
117.07032	13.4
117.16792	1.7
119.08583	30.6
121.06518	4.9
121.10138	21.3
123.08079	5.7
123.11710	7.0
125.09638	4.5
128.06233	2.5
129.05496	3.7
129.07007	11.3
131.08566	21.0
133.06442	2.6
133.10126	20.7
135.11707	14.5
137.09610	5.6
137.13263	6.1
142.07787	2.5
145.10135	15.0
147.07971	3.6
147.11671	13.3
149.09598	7.6
149.13292	8.3
155.10632	2.7
157.10129	11.4
159.11688	8.9
161.13266	5.0
163.11179	3.2
163.14839	2.6
171.11671	2.7
172.10994	1.9
173.11743	16.9
173.13283	5.4
175.11211	6.7
175.14844	2.0
177.12665	1.9
185.13274	4.0
187.14853	5.2
193.12212	17.9
197.15341	1.8
199.14792	2.0
211.13319	2.4
225.14755	2.4
227.12813	4.0
229.12077	3.7
229.14317	53.9
241.19400	3.4
243.21115	2.5
249.14812	2.5
259.20612	6.6
261.22104	8.2
267.15903	74.9
277.21841	2.8
301.25354	4.4
309.07605	1.8
317.24811	2.1
333.24216	4.4
335.25784	62.2
351.25629	2.1
362.18039	19.9
380.24350	6.2
421.25952	2.2
435.32379	1.8
453.33630	4.0
489.35724	10.8
507.36774	3.1
509.36237	2.1
525.35992	3.7
527.37311	26.7
543.36713	5.8
544.37146	2.7
545.38348	17.1
572.35846	3.4
576.39709	3.3
577.40607	2.8
590.36224	2.8
622.39130	2.1
706.02893	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.4156
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	16.5
57.07066	0.6
59.05001	0.5
61.02923	70.8
65.03944	1.6
67.05503	26.3
69.03428	24.9
69.03811	1.2
69.07065	6.9
71.01363	2.6
71.04987	3.8
71.05404	1.6
72.66293	0.5
73.02915	22.1
74.51647	0.6
75.04478	1.1
79.05487	17.6
81.03414	22.1
81.07051	28.7
83.01338	0.9
83.04977	4.0
83.08607	3.9
85.02901	100.0
85.06537	0.9
86.03221	1.0
87.04469	3.0
91.03951	57.4
91.05473	11.2
93.05509	0.6
93.07042	21.4
95.04967	4.6
95.08604	20.9
95.09223	0.6
97.02887	72.9
97.06532	1.8
97.10149	1.5
99.04447	12.2
99.08083	0.8
101.02385	5.2
103.03937	10.4
103.04560	1.0
105.07021	9.2
107.04990	1.2
107.08588	13.8
109.02870	11.9
109.06509	1.7
109.10158	10.8
111.04433	3.9
115.03938	6.6
117.05487	3.0
117.07029	4.6
119.08577	9.2
121.06479	0.6
121.10140	10.4
123.04376	1.0
123.08093	0.8
123.11707	4.2
125.02356	0.5
125.06097	0.5
127.03911	36.7
129.05487	5.1
129.06992	1.6
129.44881	0.5
131.08571	7.3
133.10130	6.7
135.04483	0.6
135.08049	1.4
135.11694	9.3
137.06015	0.9
137.09598	1.1
137.13235	1.9
138.05507	0.5
139.03889	1.0
141.05438	0.8
141.06964	0.7
143.08499	1.2
145.04953	31.2
145.10133	6.0
147.06483	0.8
147.11688	5.1
149.05972	0.6
149.09595	0.7
149.13268	6.0
151.11203	0.8
151.14796	0.6
155.06989	1.0
155.08543	0.9
157.10127	1.8
159.06502	2.7
159.07816	0.8
159.11691	6.0
161.09572	0.6
161.13263	4.9
163.06007	23.3
163.07390	1.2
163.11145	0.8
163.14813	3.3
165.12660	0.7
167.06868	0.6
168.06590	0.5
169.04953	0.6
169.10089	1.5
171.06483	1.8
171.11658	1.8
173.04457	0.8
173.13240	4.3
175.11185	1.0
175.14803	2.2
177.12823	0.6
177.16333	1.5
179.14406	0.6
181.10211	0.7
183.06543	9.6
183.08072	1.1
183.11713	1.2
185.13193	2.0
187.14807	2.7
189.12762	0.9
191.14313	0.6
193.05037	0.7
195.11783	0.7
197.13275	1.2
199.14842	1.4
201.07578	6.2
201.12657	0.8
201.16302	0.9
201.65657	0.5
203.14264	0.6
204.08650	1.1
205.15868	0.6
209.13254	0.8
211.05832	0.8
211.14850	0.8
213.16357	0.6
219.08611	1.5
223.23419	0.5
235.16948	0.6
239.70929	0.6
241.07016	1.2
241.19556	0.7
243.21068	5.7
257.19223	0.5
259.20624	2.4
261.19385	1.0
261.22125	18.2
271.07925	0.6
271.20569	0.8
273.22003	1.1
275.23758	0.5
277.21368	1.5
279.23248	1.1
285.21960	1.4
285.78790	0.6
289.08951	0.7
289.21582	1.1
301.21414	0.8
303.23135	3.6
315.23071	2.2
317.24646	1.2
319.22574	0.7
319.26080	1.1
323.23438	1.1
327.22922	2.1
333.24332	1.3
335.25775	55.0
336.26028	1.2
341.24591	1.3
345.24069	2.1
351.22913	3.1
353.26746	1.5
359.25330	0.6
363.25400	3.3
365.26907	0.6
369.24222	4.8
375.24951	0.9
377.26904	5.6
387.25052	2.6
389.26599	1.8
393.25922	0.5
401.26657	0.9
405.26450	2.6
419.27917	2.8
425.26559	0.7
431.27820	1.2
443.27884	6.4
461.29105	6.1
479.30035	13.7
497.31116	4.7
574.79504	0.6
834.31818	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.4327
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	15.9
57.07072	4.9
61.02913	4.1
65.03934	2.3
67.05502	28.2
69.03430	11.5
69.06729	2.0
69.07066	30.3
71.04961	3.0
71.62818	2.7
73.02907	6.1
79.05494	27.0
81.03423	10.2
81.07057	34.0
83.04973	15.1
83.08614	14.0
84.05710	1.9
85.02892	3.9
91.05479	25.7
92.06275	2.0
93.07043	22.5
95.04970	13.7
95.08606	14.3
97.02892	11.6
97.06551	11.2
97.10189	13.7
99.04478	1.8
105.07039	21.8
105.68213	1.8
107.04949	10.5
107.08585	13.7
107.54453	1.9
109.06552	4.0
109.10154	8.2
111.08097	4.6
116.04701	18.2
117.05502	2.7
117.07072	8.7
119.04911	2.9
119.08596	13.5
120.09351	2.1
121.06482	5.9
121.10105	9.3
123.08053	5.4
123.11657	2.7
125.09644	11.7
127.11195	2.0
129.05481	40.6
129.07008	5.4
130.07797	2.2
131.08562	12.6
133.06479	3.0
133.10103	8.6
134.07277	3.0
135.08028	7.5
135.11687	5.0
137.09592	4.0
137.13269	2.2
143.07030	15.1
143.08556	3.0
145.10129	7.3
147.04330	4.0
147.08058	7.8
147.11676	2.8
149.09584	3.2
150.25027	1.8
151.11096	2.3
157.08591	29.3
157.10063	5.4
158.05679	1.9
159.07991	2.5
159.11711	3.2
161.09590	3.6
162.10570	2.3
171.06555	2.2
171.10176	5.9
171.11624	2.6
172.95174	8.7
175.11180	6.8
177.12691	3.3
185.11710	3.7
187.11162	2.3
189.11159	2.7
190.96271	7.0
193.12273	4.1
199.13237	2.3
200.14095	10.7
201.14919	3.0
205.12190	4.1
211.13283	5.8
223.13303	20.0
227.12776	8.5
228.97806	4.0
235.03386	1.9
249.14919	3.0
255.15892	6.1
267.15833	7.7
273.18573	9.8
284.16211	2.8
291.19547	100.0
311.25690	4.3
330.15442	44.6
365.23285	48.5
396.19855	1.8
421.25806	5.5
422.26743	2.0
462.33334	5.0
465.19269	2.9
477.28296	4.3
490.32645	4.3
505.28336	3.0
521.21643	7.2
525.28467	2.2
557.34497	9.2
574.34802	3.8
620.34100	29.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.4842
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	20.5
57.07059	2.8
59.04989	3.6
61.02921	7.5
61.99710	1.0
65.03931	3.6
67.05502	96.4
69.03414	4.0
69.07071	16.2
69.31400	12.0
71.04990	7.9
73.02905	1.5
74.04103	1.0
79.05492	45.7
80.06255	1.3
81.03413	55.9
81.07055	69.5
82.26533	1.1
83.04977	7.6
83.08612	18.3
85.02901	5.4
85.06553	5.8
91.03945	2.9
91.05476	43.5
92.15338	1.0
93.03304	1.1
93.07044	47.6
94.07851	1.7
95.04964	21.5
95.08603	50.6
97.02877	4.4
97.06539	6.7
97.10177	6.1
98.20704	2.3
99.08065	3.0
105.07027	35.2
106.07793	1.3
107.04976	5.8
107.08591	32.8
107.45975	1.1
108.09413	1.3
109.06506	5.3
109.10152	58.2
111.08080	8.9
113.05981	2.0
115.05451	1.2
116.04723	1.5
117.07027	13.4
119.07785	2.1
119.08579	27.4
120.09370	1.3
121.06523	3.7
121.10137	24.2
123.08088	4.9
123.11705	5.6
125.09590	5.0
129.05467	4.0
129.07005	10.5
131.08563	21.9
132.09369	1.3
133.06488	2.1
133.10123	20.1
134.10918	1.6
135.08032	4.1
135.11690	15.3
137.09628	5.2
137.13264	3.5
142.07732	1.6
143.07028	1.7
143.08560	4.8
145.10106	13.1
147.08075	2.7
147.11681	19.5
149.09624	6.5
149.13268	8.1
151.11171	1.9
155.10684	2.8
157.10143	10.0
159.11687	9.4
161.09636	1.2
161.13243	8.7
163.11162	3.1
163.14816	3.9
165.12752	2.7
169.10135	2.5
171.11694	3.9
173.09647	1.8
173.11726	15.5
173.13252	9.4
175.11172	5.5
175.14803	4.2
177.12796	1.6
181.10075	1.7
183.11745	1.5
185.11671	1.5
185.13280	3.4
187.14847	3.0
189.11179	2.9
193.10468	0.7
193.12233	20.1
197.15393	2.1
199.13275	1.6
201.16360	1.6
211.13281	2.6
213.16429	1.3
215.17877	1.0
219.17456	1.2
225.14709	5.2
227.12791	6.9
229.14346	48.3
241.14192	1.7
241.19514	3.7
243.21127	5.2
249.14841	3.4
259.20602	9.0
261.22141	17.5
267.15903	79.9
268.16351	1.6
275.19891	1.2
277.21518	1.8
279.23267	1.3
299.18463	3.7
299.23651	1.7
301.25226	3.1
312.14227	1.6
317.24664	2.5
333.24213	5.0
335.25793	100.0
336.26520	1.1
351.25443	1.8
362.18091	17.8
380.24252	10.2
398.25256	1.4
421.25763	2.9
433.31146	1.4
435.27011	1.6
435.32608	3.6
451.32126	1.6
453.33765	3.3
461.28772	1.6
471.34711	2.4
489.35712	17.1
507.36313	1.8
525.35596	3.0
527.37286	36.5
542.35229	1.2
543.36700	9.0
544.37518	2.7
545.38361	17.9
559.39813	2.1
572.35724	4.5
576.40143	2.4
590.36890	1.7
622.39594	6.5
623.40179	1.2
846.28381	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.5116
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	1.2
61.02923	4.3
67.05492	4.6
69.03437	3.3
69.07063	1.5
70.84457	1.5
73.02914	4.2
79.05487	3.7
81.03412	1.6
81.07063	5.6
83.04996	0.8
83.08629	0.6
85.02902	4.9
91.03959	3.2
91.05491	3.2
93.07037	4.7
95.08598	4.2
97.02898	4.7
99.04462	1.3
101.02390	1.4
105.07034	1.9
107.08589	2.3
109.02904	1.2
109.10145	0.9
117.06976	0.6
119.08586	1.6
121.10146	1.5
127.03941	1.5
129.07014	0.7
131.08549	0.9
133.10161	2.0
135.11710	1.5
145.10187	0.5
147.11734	1.0
161.13333	0.6
171.63388	0.5
184.07353	2.8
185.04225	1.4
203.02145	0.5
243.08447	3.0
259.20853	0.8
295.26160	0.6
310.74493	0.5
315.10580	0.6
335.26062	0.6
351.33499	0.5
367.75638	0.5
374.00720	0.5
430.24786	0.5
443.12802	0.5
465.20856	0.7
519.29309	6.6
535.28601	6.8
535.35504	0.6
591.31586	0.8
614.24640	0.6
743.42938	0.6
774.64673	0.6
813.51147	100.0
814.51959	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	808.5561
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	19.2
57.07071	5.8
61.02928	4.0
64.41955	2.1
65.03944	5.1
66.80901	2.2
67.05500	100.0
69.03416	3.4
69.07067	34.5
70.76371	7.8
71.04984	4.4
77.22192	2.0
79.05487	93.4
81.03392	2.3
81.07052	98.5
83.04976	4.1
83.08615	11.6
83.41251	2.0
85.02881	3.5
85.06539	5.0
91.03915	2.7
91.04893	3.3
91.05473	78.1
93.07040	97.3
93.23508	2.0
95.04964	11.3
95.08598	76.6
97.06533	6.9
97.10183	6.1
99.08073	5.4
105.06299	3.8
105.07022	79.6
107.08584	53.2
109.06518	4.4
109.10152	29.0
111.00048	2.1
111.08072	2.8
113.09660	3.1
117.07019	28.6
119.08572	66.0
121.10134	50.7
123.08018	3.0
123.11698	6.6
128.06192	2.5
129.06964	15.7
130.07892	2.6
131.08553	33.9
133.10121	58.0
135.08064	2.9
135.11678	27.6
137.13208	2.5
142.07736	2.7
143.08554	17.0
143.19704	2.5
145.10127	33.6
147.08122	2.7
147.11673	55.3
149.09633	2.9
149.13237	20.2
155.08636	2.8
157.10172	11.3
159.11694	34.5
161.13248	27.5
163.11237	2.7
163.14883	5.3
169.10104	3.3
171.11682	19.2
173.13243	19.3
175.14844	16.0
177.12750	3.0
183.11667	4.4
184.07321	8.1
185.13242	13.2
187.14822	7.7
197.13177	4.2
199.14813	7.0
201.16351	3.2
203.14352	2.8
211.14781	2.5
227.18060	2.7
231.21106	7.3
240.16367	2.4
241.19591	24.8
243.21057	5.0
247.68941	2.3
257.18985	8.7
259.20551	77.8
260.20929	2.9
261.22171	12.8
277.21698	2.7
311.24033	2.2
315.23181	4.6
319.75909	2.2
331.22769	3.5
333.24219	60.3
335.25803	81.1
337.27209	6.3
339.26730	2.7
351.25824	2.4
367.22696	2.5
519.41705	5.8
593.45471	12.7
611.46649	66.2
612.47266	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	808.3384
Annotation	Unknow
Peak:m/z	Relative Intensity
58.76542	0.1
60.04510	0.1
66.59870	0.1
69.03419	0.2
70.01968	0.1
70.02382	0.3
70.06582	0.1
71.04993	0.1
78.04707	1.0
79.05492	0.7
81.03440	0.4
81.07045	0.2
85.02904	0.6
90.11336	0.1
91.05475	0.5
93.07036	0.3
94.04195	0.1
95.04961	0.5
96.05704	0.1
97.02876	0.2
98.20834	0.1
102.40653	0.1
103.05482	0.2
105.03383	0.2
105.07025	0.6
106.04159	0.4
107.04945	1.1
109.02896	0.1
115.05440	0.2
117.07015	0.4
119.04929	0.1
121.06498	0.5
122.03645	0.2
123.04424	2.5
124.05205	1.3
127.03920	0.2
128.55127	0.1
129.06978	0.1
131.08556	0.2
133.06512	0.6
134.03632	0.1
135.04375	0.1
135.08109	0.1
137.05978	1.3
138.03062	0.1
139.07573	0.1
140.08301	0.1
141.06984	0.1
142.96318	0.1
143.04939	0.1
145.04927	0.1
145.05293	0.1
145.06490	0.8
147.04362	0.2
147.08064	0.1
149.05951	0.6
151.03876	0.6
151.07509	0.1
152.04700	1.2
153.05322	0.1
155.07094	0.1
156.05652	0.1
159.08037	0.2
161.05981	0.7
162.07629	0.2
163.03905	0.3
166.06262	0.2
167.07033	100.0
168.07347	1.2
173.05984	1.3
175.07484	0.2
179.07034	0.5
180.08682	0.2
181.04921	0.3
181.06422	0.1
181.06935	0.1
181.08551	1.0
183.06432	0.1
187.07559	0.2
190.06267	0.8
191.07002	0.2
193.08600	4.9
203.07063	0.1
205.08598	2.6
207.06462	0.1
209.08011	0.1
211.09653	12.7
212.09972	0.1
217.08586	1.1
219.10201	0.5
223.09663	0.2
235.09637	0.9
247.09641	0.3
249.11255	0.2
265.10751	1.3
279.10168	0.2
292.07050	0.1
315.08456	0.2
323.12592	0.1
330.11041	0.3
331.11472	0.2
338.37775	0.1
343.11612	0.1
351.12341	0.1
357.13098	0.1
369.13049	0.1
371.14679	0.2
383.14896	1.0
387.14212	0.2
401.15933	1.6
611.24652	0.2
613.21930	0.2
629.25134	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	807.3442
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03405	1.4
57.60039	0.6
61.02920	1.5
63.96122	0.6
65.03927	1.3
67.05487	1.7
67.74562	0.6
69.03423	2.9
71.02614	1.3
71.02953	1.0
71.04990	1.4
72.37227	0.6
73.02897	0.5
79.05488	2.3
80.05034	0.9
81.03407	1.6
81.07047	1.6
82.06571	1.2
85.02910	6.8
87.04473	1.0
91.05492	2.2
93.05742	0.7
93.07034	3.5
94.06565	4.9
95.05010	0.7
95.07343	1.2
95.08578	1.1
96.08137	6.8
97.02893	2.0
97.06559	1.1
99.04474	0.6
103.05451	1.3
105.07056	1.0
106.06570	2.9
107.07327	1.1
108.04485	1.1
108.08110	13.8
110.09678	10.7
116.04985	0.6
118.06564	1.2
119.04939	0.6
120.04471	3.3
120.08101	9.7
121.06511	1.1
121.85972	0.6
122.06017	10.6
122.09703	2.5
124.07577	6.0
127.03863	1.5
131.04936	0.8
132.08092	0.9
134.06018	3.5
135.04391	0.7
136.07573	24.7
137.05994	2.8
138.05579	0.8
138.09138	16.8
144.04472	1.9
145.02698	0.8
146.06004	7.6
147.04411	1.1
148.07574	15.1
150.05528	0.7
150.09149	9.6
152.07057	18.6
153.63170	0.7
160.03912	0.9
160.07581	1.4
162.05560	2.5
163.03891	2.7
164.07086	6.5
165.07858	0.8
166.08630	36.8
167.07034	6.7
172.03923	20.4
174.05568	1.8
174.09148	1.3
176.06998	3.4
177.05524	0.8
181.04993	1.4
181.08728	0.8
182.08192	0.9
190.04968	13.5
190.06514	1.0
191.07037	0.7
192.06520	1.0
197.10764	1.8
198.11578	2.6
200.06975	0.6
203.87291	0.8
204.06549	28.6
208.09782	1.2
209.08296	0.7
209.10777	1.9
210.09561	0.7
210.11482	3.8
211.12262	6.1
212.09380	1.1
212.13100	2.1
213.10280	1.9
213.13904	1.2
217.08705	0.7
218.08073	1.2
221.10759	0.8
223.12263	3.5
224.09489	1.7
224.13106	1.3
225.10262	6.9
226.10970	4.6
227.11748	4.0
229.13397	1.9
235.08727	1.0
235.12273	0.8
236.09369	1.3
237.10208	7.4
237.13899	1.5
238.10992	5.8
239.11736	11.2
240.12686	1.6
241.09732	1.1
241.13440	1.8
242.10545	0.7
243.11365	1.3
246.07672	1.2
248.09453	1.1
249.10211	6.0
250.11023	5.5
251.08051	1.5
251.11786	16.1
252.08992	1.9
252.12523	4.3
253.09621	3.4
253.13380	5.9
255.11427	4.4
256.12027	2.9
257.12869	1.8
258.13672	0.8
259.14554	1.2
262.11035	2.3
263.07837	1.3
263.08701	1.1
263.11795	14.8
264.08881	2.9
264.12631	3.1
265.09708	5.6
265.13339	7.4
266.10550	4.5
266.13800	0.9
267.11298	20.0
268.11850	1.6
269.12811	5.6
271.10883	2.4
271.14481	4.4
273.12347	3.4
275.11896	1.2
276.08817	0.8
277.09793	3.1
277.13239	1.4
278.10464	3.7
279.11267	28.2
280.12015	6.1
281.12820	10.7
282.13565	2.1
283.10849	5.1
283.14182	1.3
284.11499	9.2
285.12323	33.3
286.12930	1.5
287.13882	2.5
289.15561	2.2
291.11240	11.7
292.12125	2.7
293.09268	1.9
293.12717	11.0
294.10065	1.2
295.10837	3.5
295.14551	1.9
296.11526	5.5
297.12323	43.2
298.13000	3.8
299.13889	7.7
307.10776	3.2
309.12347	14.9
310.12973	4.6
311.10303	5.4
311.13992	3.9
313.11826	1.9
315.13492	0.7
316.14627	0.9
319.10764	7.5
321.12311	11.7
322.12936	0.9
323.10254	10.6
323.13788	1.0
324.10971	1.3
325.11816	19.9
326.12369	2.0
327.13373	10.3
328.14230	1.4
329.15094	1.2
330.16037	0.9
332.17508	1.1
337.11789	42.0
338.12341	2.5
339.13513	6.0
340.13959	0.8
341.11389	1.6
341.15128	1.3
342.16260	0.8
343.12921	2.8
344.13818	1.0
344.17575	1.5
355.12717	2.3
357.14362	10.4
358.15353	2.1
358.19363	1.0
359.16193	1.3
360.17068	1.1
362.18750	0.8
367.12973	1.1
369.14410	4.7
370.15210	0.9
371.16110	2.9
372.17026	1.5
373.13947	2.1
385.14017	2.3
386.14673	0.8
386.19022	1.0
387.14905	1.2
388.16479	1.1
390.18219	1.4
392.19775	1.9
398.18600	0.8
399.15561	1.6
400.16757	2.4
401.17194	1.3
402.18048	2.7
404.19852	3.3
406.17587	1.0
411.15738	1.1
412.16510	2.0
414.18079	2.0
416.20007	1.4
418.17581	2.0
420.19269	1.3
421.19672	1.1
422.20740	2.3
428.20197	1.0
429.16653	1.0
430.17487	6.2
430.21909	0.7
431.18542	1.4
432.19229	7.4
433.19751	1.5
434.20880	0.9
436.18579	1.4
442.17532	2.1
444.19266	2.7
446.20731	2.6
448.18668	17.7
449.19400	12.1
450.20251	11.2
458.17004	1.1
460.18671	11.4
461.19189	2.6
462.20264	4.6
463.20920	0.7
469.16400	1.0
471.17172	0.9
472.18808	1.9
474.20306	2.6
476.18118	5.3
477.19116	5.6
478.19818	4.8
480.21158	2.2
487.17010	5.4
489.19617	0.9
490.19714	24.0
491.20459	2.4
492.21277	8.0
499.17184	1.0
506.23102	1.3
519.20013	1.0
522.22351	13.0
523.22925	1.6
524.23798	0.9
566.25140	1.0
567.25842	1.6
585.27502	1.1
592.23163	1.1
594.24304	3.0
595.25415	9.8
608.26013	2.0
611.24646	2.3
612.25043	4.7
613.26544	100.0
614.26984	4.0
634.23688	4.0
636.25702	1.7
645.29126	15.6
652.24951	21.0
653.25555	7.8
654.26776	4.5
684.27728	10.8
685.28369	4.9
733.66840	0.7
739.29498	1.3
757.30176	4.6
775.31836	30.3
776.31494	1.9
789.32361	0.8
807.34882	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	805.4684
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	18.7
57.07072	2.7
59.05004	1.4
60.08150	1.6
61.02917	5.6
65.03915	4.1
67.05502	100.0
69.03426	6.6
69.07066	16.4
71.04971	5.9
71.14011	3.4
73.02918	2.4
77.03887	1.5
79.05493	48.2
80.06283	1.7
81.03416	42.1
81.07054	65.8
83.04958	8.5
83.05402	1.3
83.08614	19.1
85.02902	8.6
85.06541	5.1
86.09705	5.4
91.03951	1.8
91.05473	36.0
93.07040	53.5
94.07821	1.5
95.04971	17.7
95.08604	48.1
97.02885	3.8
97.06528	4.7
97.10149	7.4
99.08083	2.2
105.07035	30.4
107.04973	1.8
107.08599	29.1
108.09369	2.4
109.06500	5.3
109.10152	56.8
111.08096	6.9
116.04722	1.6
117.07023	13.0
119.08583	28.9
120.09307	1.9
121.06491	3.8
121.09301	2.7
121.10136	26.4
123.08049	4.2
123.11727	4.3
125.00040	2.9
125.09621	6.1
127.03943	1.9
129.05482	4.6
129.06950	9.2
131.08563	19.8
133.06464	2.8
133.10127	15.9
135.08034	4.6
135.11674	11.9
137.09644	5.2
137.13257	2.5
139.11171	1.8
141.06996	2.0
142.07823	1.5
143.08594	3.4
145.10106	13.3
147.08022	2.1
147.11665	16.0
148.12451	1.7
149.09621	5.6
149.13229	6.6
155.10681	2.1
157.10156	6.9
159.11705	9.0
161.13269	8.4
163.11227	2.2
163.14777	3.3
165.12714	1.7
168.31227	1.7
171.11687	3.5
173.11734	17.1
173.13278	7.4
175.11182	5.2
175.14841	4.1
177.12708	3.4
184.07368	17.4
185.13242	3.5
187.14781	5.6
189.11203	2.8
189.12787	1.5
191.93031	1.5
193.10559	2.5
193.12241	17.6
199.14948	1.8
201.16380	1.8
211.13266	4.5
221.18930	1.4
221.36047	1.6
227.12762	3.1
229.14334	52.0
241.19609	3.0
243.21011	4.8
249.15157	2.5
259.20593	6.1
261.22128	15.4
267.15900	54.1
273.21756	1.5
277.21683	2.9
285.17068	4.4
291.19455	3.9
317.24585	2.4
330.15381	2.9
333.24121	3.8
335.25775	75.2
348.16531	21.4
351.25174	1.7
380.24274	7.4
398.25516	1.4
421.25961	2.1
435.32382	1.6
453.33392	1.8
471.34671	4.0
487.34311	2.0
489.35803	19.2
507.36224	1.5
514.36719	2.1
525.36053	3.1
527.37360	20.4
543.36627	5.3
544.37640	3.3
545.38312	13.5
551.62469	1.4
572.36163	1.6
590.36615	2.2
608.37860	9.9
625.44849	2.6
672.42029	4.3
805.43884	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	805.4694
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	21.6
57.07081	2.7
58.65188	1.7
61.02930	6.8
65.03913	3.4
67.05507	100.0
69.03427	5.3
69.07062	17.4
69.26246	4.6
69.26662	18.2
71.04993	8.3
78.04698	2.4
79.05490	45.5
80.06273	3.1
81.02971	3.6
81.03417	43.3
81.07058	66.7
83.04974	7.5
83.08626	20.8
85.02914	5.3
85.06529	4.6
86.19575	1.8
91.03941	2.5
91.04963	3.4
91.05484	45.2
93.07045	56.6
95.04971	23.3
95.08607	43.4
97.02915	5.1
97.06546	8.2
97.10175	7.2
98.20728	4.7
105.07028	35.6
107.04958	3.9
107.08598	34.5
109.06503	4.8
109.10155	66.5
111.08086	7.3
115.06863	1.9
117.06998	10.7
119.08576	28.4
121.06499	5.4
121.10145	22.7
123.08047	5.2
123.11675	6.4
125.09608	5.3
128.21135	2.2
129.05486	5.9
129.07001	8.2
131.08589	18.7
133.06490	4.6
133.10139	15.9
135.08043	4.1
135.11687	14.8
137.09634	5.5
137.13248	3.2
139.11215	2.7
143.08522	4.7
145.10138	12.0
147.08044	2.6
147.11723	14.4
149.09663	6.3
149.13303	7.6
155.10678	3.5
157.08844	2.8
157.10072	9.3
159.11742	11.8
161.13286	10.0
163.11159	3.1
163.14818	4.3
165.12726	2.5
171.10243	2.1
171.11617	3.6
173.11743	21.3
173.13313	8.1
175.11179	5.1
175.14880	5.1
177.12898	2.3
185.11769	4.5
185.13261	3.4
187.14755	2.4
189.11151	2.7
189.16287	2.3
193.12247	20.2
199.14774	3.7
211.13205	5.2
213.14778	2.8
217.15799	2.0
227.12802	6.1
229.14349	71.6
229.16557	4.1
241.19316	2.9
243.21185	4.1
244.88155	2.2
259.20554	4.9
261.22067	11.1
267.15921	72.2
277.21564	4.3
285.16962	4.9
291.19556	4.0
301.25293	2.3
317.24612	2.4
321.21616	2.1
333.24347	4.4
335.25842	75.8
348.16553	29.0
351.25372	3.1
380.24313	5.9
421.26288	2.1
453.33768	3.1
489.35754	13.8
507.36899	4.5
527.37268	22.3
543.36591	6.6
544.37402	5.0
545.38379	17.1
572.35815	2.7
590.36487	3.1
608.37415	5.8
615.17413	2.2
625.43939	4.5
663.62000	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	805.329
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03949	1.6
67.05508	1.4
69.03429	2.6
70.25787	0.5
71.04992	1.8
71.58979	0.6
79.05499	2.1
80.04951	0.6
81.03424	1.7
81.07045	1.0
82.06580	0.6
85.02906	4.9
89.03905	0.8
91.05482	2.1
92.05000	0.8
93.07044	2.1
94.06563	4.0
95.04977	0.7
95.07349	1.7
96.08136	5.2
97.02888	2.2
97.06495	0.8
103.05440	1.5
105.06988	0.8
106.04176	0.8
106.06585	0.9
107.04976	1.9
108.04471	2.4
108.08116	7.8
109.02888	0.8
110.09676	7.0
111.44926	0.6
115.05470	1.3
116.04985	1.9
117.03419	0.8
117.07001	1.2
119.04955	1.2
119.08643	0.6
120.04430	3.5
120.08105	6.2
121.06519	0.6
122.06015	5.1
122.09698	1.5
123.04443	1.5
124.07560	5.1
127.03899	0.9
134.06021	2.5
135.04428	1.7
135.11717	0.7
136.07561	8.8
137.05974	2.6
138.05568	0.9
138.09131	10.4
144.04463	2.8
145.06494	2.4
145.64873	0.7
146.06023	5.4
147.04388	2.9
148.07579	2.5
149.05974	1.0
150.09117	1.4
151.03900	0.6
151.07458	0.6
152.07085	1.5
153.05414	0.8
160.03960	2.3
161.05960	1.3
162.05463	3.6
163.03908	9.2
164.04173	1.2
164.07025	1.3
166.08650	13.2
166.09959	0.6
167.07034	32.0
172.03928	16.6
173.05969	5.7
173.07182	0.6
174.05499	2.2
175.03690	2.7
176.07088	2.0
177.05466	1.4
181.04922	7.1
182.08278	0.7
182.09738	1.0
186.05533	0.8
187.08727	0.6
190.04993	15.0
192.06577	0.8
193.08849	0.9
197.10762	1.4
199.12364	2.1
204.06560	33.9
205.08592	1.0
207.06406	0.7
209.10721	1.5
210.09354	1.0
210.11487	0.7
211.08745	2.4
211.12354	0.7
212.09441	1.8
213.10323	0.9
215.59520	0.6
223.08792	0.8
223.12375	0.9
224.09528	0.8
225.10204	7.7
226.11011	1.0
227.11815	12.1
227.13994	1.1
229.13425	0.8
233.08063	2.2
236.09538	1.0
237.10349	3.8
238.11143	1.2
239.11769	3.0
241.09709	1.1
245.12698	0.6
249.10170	1.9
250.10995	0.8
251.08203	1.1
251.11797	2.8
253.09706	5.0
255.11330	2.0
263.08087	1.4
263.11755	0.8
264.08887	3.1
265.09668	2.4
266.06750	0.6
266.10263	0.8
267.11301	1.9
269.12830	15.9
271.10751	8.0
273.12262	3.9
277.09744	2.3
279.11322	4.9
279.14124	0.9
281.12851	1.0
283.10739	4.8
284.11465	3.7
285.12354	4.6
286.13293	0.8
287.13892	12.4
291.11334	0.9
295.10931	1.6
297.12341	7.8
299.13922	4.5
300.15112	0.8
305.09006	0.6
307.10779	2.1
311.10272	1.2
311.14310	0.8
312.15015	1.6
313.12796	1.2
314.13046	1.3
316.11032	1.0
316.14468	2.0
321.12421	0.8
323.10385	5.2
325.11853	16.3
326.12784	0.9
326.16504	1.5
327.13577	2.9
327.17273	0.6
328.10895	2.6
328.14413	1.5
329.15271	1.8
330.12585	0.9
330.16147	2.4
331.16785	2.7
337.11935	1.0
339.13663	1.5
340.14438	1.1
341.11688	1.1
341.15561	0.8
342.12500	5.0
342.16159	1.0
343.12915	8.3
343.16638	0.8
344.13916	1.4
352.14532	0.8
353.12567	0.7
354.12436	1.2
355.13538	1.9
356.13861	5.3
357.14487	20.0
357.18805	1.2
358.15421	3.8
365.11307	1.7
367.13293	1.9
369.15115	0.7
370.11606	1.0
370.15594	4.2
370.19934	1.0
371.16589	0.9
372.17056	0.9
373.15030	0.7
378.18396	1.1
380.14029	1.2
382.11609	3.0
383.12769	2.2
384.13318	4.2
385.13495	2.7
386.14792	1.9
386.18732	2.5
387.14600	2.0
388.16916	0.8
390.18130	2.6
394.15494	1.1
397.15491	1.4
398.14990	17.5
399.15796	24.5
400.16537	2.8
402.18213	1.8
404.16165	6.3
412.16632	2.2
413.17038	0.7
414.18158	4.3
416.16040	14.4
417.15408	22.0
422.16556	1.8
425.15533	0.8
428.16006	3.0
430.17310	3.3
431.18439	0.8
439.45279	0.7
440.16031	7.4
441.14609	1.8
446.17114	10.3
458.17105	25.6
476.18240	0.7
478.19913	1.7
487.17142	8.8
490.19736	10.0
501.19812	0.7
520.20728	1.2
522.21747	0.9
541.24548	0.8
560.19989	0.7
565.24335	1.3
567.26416	1.0
569.23999	3.0
583.25647	1.3
593.24146	6.7
602.21124	1.3
608.21783	0.9
611.24976	100.0
612.25421	2.7
620.22430	2.8
625.26520	0.7
625.96802	0.7
626.25104	3.4
643.27759	14.4
745.30823	0.9
755.28967	2.9
756.11877	0.7
773.30231	23.2
805.30481	12.5
806.30243	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.3293
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	0.6
58.78446	0.4
61.02926	0.5
65.03937	0.9
67.05502	1.1
69.03423	2.3
70.56601	1.5
70.56953	0.4
71.04984	0.9
73.02888	0.4
79.05498	1.6
80.05032	0.7
81.03414	0.9
81.07065	0.7
82.06570	1.0
83.01321	0.4
83.04967	0.5
85.02886	3.6
87.04478	0.6
89.03894	0.7
90.52378	0.4
91.05483	1.4
92.04985	1.1
93.05811	0.7
93.07008	2.0
94.06564	5.3
95.04969	0.8
95.07345	1.4
96.08112	4.3
97.02911	1.0
97.96457	0.4
103.05486	1.2
106.06560	0.6
107.04956	0.8
107.07339	0.6
108.04485	2.4
108.08113	8.2
109.02846	0.6
110.05991	0.4
110.09679	7.4
115.05492	0.7
116.04975	1.9
118.06550	0.9
119.08531	0.7
119.64471	0.5
120.04456	3.3
120.08089	6.1
120.82411	0.4
121.06493	0.6
122.06042	4.6
122.09616	0.6
123.04397	0.6
124.05242	0.4
124.07590	5.9
127.03963	0.6
131.04976	0.7
134.05977	2.9
135.04402	0.4
136.07567	8.2
137.05977	2.4
138.05492	0.4
138.09129	9.4
141.04330	0.4
144.04431	3.6
145.06506	1.4
146.06001	4.8
147.04399	0.5
148.07607	3.0
150.05508	0.6
150.09149	1.1
151.03925	0.8
151.07529	1.7
152.07089	1.5
160.03920	2.5
161.05943	1.0
162.05473	2.8
163.03894	2.2
163.07506	0.7
164.04317	0.6
164.07059	1.3
165.05476	0.6
165.06912	0.4
166.08626	14.0
167.07030	9.4
170.09599	0.6
172.03922	21.4
172.07532	0.9
173.04468	0.5
173.05975	1.1
174.05508	1.9
175.07399	0.5
176.07030	3.2
176.08275	0.4
178.05013	0.9
180.08035	0.5
181.04958	3.6
182.09720	1.0
183.09160	0.8
184.09979	0.7
186.09091	0.7
186.26624	0.5
190.04967	15.2
191.07140	1.1
191.10637	0.4
192.06584	0.6
197.10788	1.3
198.07817	0.4
198.09441	0.5
198.11201	0.5
199.12329	1.8
204.06544	36.8
205.08627	0.8
209.08188	0.8
209.10776	1.2
210.09157	1.4
211.08655	3.1
211.12296	1.0
212.09464	1.7
213.10228	1.3
219.06482	0.6
221.10703	0.8
223.08681	0.9
223.12196	0.7
224.09450	1.5
225.10191	9.2
226.08846	0.5
226.10965	1.2
227.11769	14.4
229.13400	0.9
233.08040	0.4
236.09465	1.9
237.10204	3.6
238.11087	1.8
239.11736	3.6
241.09735	1.7
241.13394	1.7
243.11340	0.9
245.12852	0.8
249.10258	1.1
250.10905	0.6
251.08327	0.7
251.11827	2.7
252.08926	1.0
253.09734	5.1
253.13487	0.9
255.11316	1.6
257.12836	0.7
263.08139	1.3
263.11887	0.6
264.08981	3.3
264.11703	0.6
265.09811	2.2
266.10544	1.2
267.11246	3.6
269.09775	0.6
269.12833	14.6
270.10104	0.5
271.10718	9.5
271.13837	0.6
273.12250	2.9
277.09695	2.0
279.11288	4.0
281.09241	1.3
281.12823	1.7
283.10754	5.6
284.11523	3.7
285.12320	4.7
286.13120	1.1
287.13870	12.7
291.11081	0.5
295.10718	1.8
296.11444	0.5
297.12335	8.7
298.13766	0.5
299.13968	3.4
300.11377	0.5
300.15002	0.5
302.13138	0.7
305.09222	0.8
307.10764	2.0
309.12277	0.8
311.14111	0.5
312.15097	1.1
313.12244	1.5
314.12897	1.5
315.13708	1.0
316.10834	1.3
316.14636	1.6
318.15903	0.4
321.08722	0.7
321.12155	0.8
323.10294	6.1
324.10632	0.4
325.11819	16.4
326.12912	0.8
326.16699	1.1
327.13608	2.5
327.17126	0.6
328.10840	2.6
328.14587	1.9
329.11871	1.1
329.15335	1.7
330.12485	0.9
330.16144	1.6
331.16830	2.2
337.12085	0.7
339.13620	1.4
340.14575	0.5
341.11945	1.2
342.12476	5.7
342.16107	1.3
343.12952	8.4
344.13797	1.1
344.17606	0.9
352.14661	0.8
354.12469	1.1
354.16266	1.0
355.13043	2.3
356.13885	4.6
356.17892	0.6
357.14447	20.9
358.15445	4.4
365.11258	0.9
366.15982	0.6
367.13129	0.8
368.13693	0.7
369.14526	0.6
370.11685	0.9
370.15598	4.3
371.16055	1.3
372.13031	0.5
372.16989	2.2
374.18646	0.7
376.16290	0.5
378.18008	1.5
380.14050	1.0
381.14902	0.6
382.11548	2.4
383.12302	2.2
384.13232	4.5
385.13748	2.4
386.14865	1.7
386.19312	2.4
387.14932	1.5
388.16876	1.0
390.18008	3.1
394.15601	1.3
396.17276	0.9
397.14566	1.0
398.14975	17.6
399.15762	25.6
400.16632	3.1
402.18146	1.6
404.15994	5.2
412.16559	2.7
413.17422	0.5
414.18179	4.3
416.15991	17.1
417.15878	2.8
418.17593	0.5
422.16547	1.9
428.16064	3.2
430.17740	2.8
431.18420	0.9
440.16016	6.9
446.17023	7.7
458.17062	23.2
459.17700	1.2
469.16559	0.8
478.19778	1.8
487.16977	6.8
489.18481	0.6
490.13187	0.6
490.19849	9.4
505.17767	1.1
519.19513	1.3
523.23706	0.8
541.24316	1.1
560.20044	0.6
565.24316	0.9
567.26154	1.2
569.24188	3.4
575.23230	0.5
583.25189	1.2
584.02997	0.5
593.23944	4.5
595.22034	0.7
602.21960	0.8
610.23035	0.5
611.24945	100.0
612.24731	3.0
620.22290	1.5
625.26538	0.9
643.27576	22.8
644.28339	0.7
652.25049	0.6
719.27118	0.6
737.28333	0.8
745.30365	0.8
755.28937	4.0
773.30157	25.5
774.29712	1.1
805.31940	3.0
805.45605	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	804.525
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05037	3.6
56.75941	0.6
57.03437	6.5
57.07078	1.4
61.02925	6.1
65.03943	5.6
67.05505	39.0
68.05035	0.6
69.03433	3.9
69.07066	21.4
69.80600	0.6
70.06575	0.9
70.33206	2.1
71.04994	2.2
73.02910	2.5
74.06089	1.4
75.24090	0.6
77.03916	1.5
79.05492	48.4
80.05023	9.7
81.03434	2.1
81.07056	43.5
82.06583	3.3
83.04987	2.1
83.08614	4.6
85.02901	5.6
85.06538	1.6
91.03960	2.2
91.05480	36.7
92.05007	3.8
93.05791	2.6
93.07042	38.2
94.06567	4.6
95.04967	9.5
95.08603	25.3
96.04490	0.9
96.08170	1.6
97.02890	4.0
97.06529	2.7
97.10186	2.5
98.09686	5.3
98.21437	0.6
99.04444	1.2
99.08088	0.8
103.05491	1.8
105.04504	1.0
105.07029	17.8
106.06561	4.4
107.07434	1.1
107.08594	16.2
107.09296	1.3
108.08121	6.8
109.02875	0.9
109.06565	1.9
109.10163	9.1
111.08106	1.4
114.09175	0.6
115.05470	1.7
117.05802	1.0
117.07004	9.3
118.06552	4.0
119.08575	10.4
120.08147	3.2
120.08821	0.6
121.10152	10.9
122.09688	0.7
123.08097	1.4
123.11716	2.7
125.09622	1.2
127.03915	1.5
128.06204	1.1
129.07007	2.9
130.06563	1.8
131.07182	0.6
131.07516	0.8
131.08560	12.2
132.08081	4.7
133.09048	0.9
133.10130	7.4
134.09621	3.9
135.11671	5.8
136.11217	1.1
138.12808	1.9
142.07767	1.0
143.07370	0.8
143.08583	3.0
144.08107	1.5
144.09349	0.8
145.09096	1.0
145.10114	4.9
146.09673	4.4
147.10564	1.3
147.11710	4.6
148.11194	3.6
149.09653	0.9
149.13269	2.6
154.12329	0.7
157.10149	3.1
158.09676	1.3
159.11699	4.2
160.11214	1.9
161.13322	1.1
165.12772	2.0
170.11713	0.6
171.11716	0.9
173.13315	2.3
174.12708	0.7
175.14886	1.1
176.14384	2.8
177.12753	16.0
186.12827	1.7
187.14862	0.7
194.15408	9.8
199.13232	1.1
199.14868	1.0
204.13858	3.9
212.16571	0.7
216.17580	1.2
217.15878	23.0
222.14948	2.7
234.18509	11.9
239.16316	4.0
243.21109	1.3
244.17081	1.0
261.22134	4.2
272.20120	5.6
273.18518	1.2
274.21716	0.8
278.17496	11.5
290.21149	35.6
308.22202	6.5
318.20786	1.4
329.28625	1.0
334.03366	0.7
335.25793	20.3
346.23898	3.8
346.27524	0.6
364.24860	10.0
364.29034	1.1
382.25980	1.2
446.29156	0.8
499.37967	0.8
511.38211	2.1
515.36670	0.7
529.39569	0.7
538.38745	2.1
546.41455	1.4
551.41119	1.2
586.45447	1.0
624.46204	100.0
625.46954	6.9
642.47327	35.0
642.55762	0.4
643.47845	2.2
786.51343	7.6
804.51843	0.9
818.17725	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	804.5249
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04781	0.5
56.05033	7.2
57.03433	4.5
57.03706	0.5
57.07064	0.6
59.04985	0.4
61.02918	4.5
64.43676	0.3
65.03934	3.2
66.63023	0.3
67.05499	40.9
68.05014	1.1
68.05836	0.3
69.03423	4.1
69.07063	17.2
70.02943	2.4
70.06589	1.5
71.04993	1.4
72.08147	0.3
73.02912	1.7
77.03930	0.4
79.05486	32.3
79.75685	0.3
80.05009	14.3
81.03420	2.4
81.05784	0.8
81.07050	39.7
82.06573	4.5
82.07357	0.4
83.04988	1.8
83.08611	4.3
84.04479	0.4
84.08138	0.7
85.02901	5.0
85.06522	0.8
86.09702	0.3
90.70689	0.3
91.03975	1.6
91.05473	21.7
92.05013	1.6
93.05786	1.4
93.07035	32.4
94.06561	5.3
95.04970	5.9
95.08597	20.6
96.04487	0.4
96.08123	5.8
97.02888	3.9
97.06519	5.0
97.10175	0.9
98.06059	1.1
98.09686	0.5
98.20789	0.7
99.04460	1.0
99.08076	0.5
101.02389	0.3
103.05470	0.7
105.04522	0.8
105.07021	12.0
106.06541	3.6
107.04955	1.0
107.07345	0.9
107.08585	12.9
108.04482	0.4
108.08111	2.3
109.02858	0.5
109.06518	1.9
109.10141	6.7
110.04033	0.3
110.06085	0.4
110.09675	1.3
111.08060	0.8
112.07600	0.5
114.09168	1.8
115.05449	1.3
116.06200	0.5
117.05755	0.5
117.07008	8.9
118.06522	1.9
119.07304	0.6
119.08570	6.0
120.08083	3.2
121.08858	0.4
121.10131	7.5
121.11009	0.4
122.06019	0.4
122.09655	0.9
123.08076	0.7
123.11715	1.6
124.07594	0.4
124.11263	0.4
127.03910	1.6
128.06232	0.6
129.07010	2.3
130.06532	1.0
130.07794	0.5
130.46257	0.3
131.07495	0.5
131.08559	9.0
132.08070	3.1
133.06534	0.3
133.08963	0.6
133.10127	4.7
134.09645	3.1
135.08052	0.8
135.11673	4.9
142.07803	0.6
143.08548	2.0
144.08144	0.7
144.09277	0.5
144.50661	0.3
145.04967	0.6
145.06476	0.3
145.08965	0.5
145.10103	3.7
146.09595	1.8
147.10451	0.6
147.11676	2.9
148.11205	2.7
149.09644	0.6
149.13245	6.6
154.24272	0.4
157.08971	0.4
157.10109	2.0
158.09673	0.9
159.10431	0.6
159.11667	6.2
160.11195	1.3
161.09587	0.3
161.12013	0.6
161.13255	1.4
162.12779	1.1
163.14757	0.3
164.14287	0.4
165.12697	0.6
166.15904	0.5
170.11790	1.8
171.11765	0.5
172.11169	0.4
173.13252	0.8
174.12810	0.5
175.11217	0.3
176.14328	5.2
177.12732	100.0
178.13084	1.2
186.12733	0.5
187.14847	0.4
192.13800	1.0
192.45386	0.3
194.15390	64.3
195.13634	0.3
195.15750	0.9
204.13780	2.1
212.16386	4.5
222.14868	4.8
232.16963	0.7
244.20572	0.6
250.17978	2.5
251.16309	1.4
257.15329	0.4
258.13290	0.3
260.16479	0.5
261.22208	1.3
268.19046	3.3
272.20062	5.2
278.17499	4.0
284.47308	0.3
285.14981	0.4
286.20181	0.9
290.21115	32.1
291.21307	0.6
292.22787	0.4
308.22183	8.8
329.28629	0.3
335.25787	17.5
336.26062	0.4
346.23737	4.8
347.23697	0.3
364.24811	12.3
382.25787	1.0
434.25403	0.5
511.37787	2.8
528.40265	1.4
529.38623	1.0
538.38672	0.9
544.40149	0.4
546.41522	3.9
624.46155	61.1
625.46637	2.3
642.47296	8.8
643.47180	0.4
690.45587	0.8
708.48761	0.4
768.50067	0.9
768.63623	0.3
786.51324	7.7
829.10370	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.5167
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	1.9
61.02919	4.9
67.05504	4.2
69.03434	2.8
69.07072	1.2
71.60369	0.7
71.60764	1.0
73.02925	3.9
79.05515	4.0
81.03430	2.1
81.07064	4.7
83.08636	0.6
85.02900	4.5
91.03950	3.9
91.05489	1.4
93.07047	4.3
95.08611	3.7
97.02903	5.4
99.04466	0.8
101.02410	2.5
105.07003	0.7
107.08610	1.8
109.10178	1.7
117.06970	0.9
119.08601	0.9
121.10173	1.7
127.03904	1.8
131.08609	0.7
133.10109	0.6
135.11671	0.8
141.47533	0.6
145.10120	0.6
149.13269	0.8
161.13210	0.8
243.08470	2.3
263.39188	0.6
335.25931	0.8
348.28177	0.6
433.66702	0.7
497.32614	0.7
519.29297	11.8
649.45764	0.8
713.16852	0.7
797.51691	100.0
798.51990	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	804.2918
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	1.2
58.61179	0.1
59.04996	0.1
60.04552	0.1
61.02912	0.2
61.72266	0.1
63.01968	0.1
63.02377	0.2
69.03426	1.1
69.29618	1.0
69.30026	0.2
70.06596	0.5
71.01321	0.2
71.04990	7.7
73.02898	0.3
75.02845	0.1
75.04471	0.3
79.05479	0.3
81.03428	0.5
83.04980	1.1
85.02902	9.6
86.03250	0.1
86.09685	0.1
87.04456	0.2
89.03908	2.6
91.05466	0.3
95.04984	0.2
97.02296	0.1
97.02889	2.1
99.04446	0.4
103.03947	0.1
107.04957	1.0
109.02867	0.3
111.04431	1.1
117.03369	3.0
119.04949	0.1
121.06490	0.1
127.03892	0.6
129.05473	2.7
131.04944	0.2
135.04410	9.7
136.04759	0.1
137.05986	0.5
145.02838	8.4
146.03174	0.2
147.04373	0.3
147.06516	1.0
149.06000	0.2
149.49338	0.1
151.07561	0.1
161.05861	0.1
163.03896	100.0
164.04251	1.9
165.05493	0.3
173.05963	0.1
173.12843	0.2
177.05475	0.2
179.07031	0.2
181.04932	1.0
183.14972	0.2
185.05989	0.1
186.05467	0.3
187.03897	0.1
187.07462	0.1
189.05525	0.1
201.05533	0.2
203.07077	0.2
205.05009	0.2
213.05519	0.1
227.07019	0.1
231.06552	0.3
237.07556	0.1
245.08101	0.2
255.06354	0.2
255.08733	0.3
263.09210	0.2
273.07285	0.6
273.09811	0.3
291.08603	0.7
307.08038	0.4
309.09595	2.3
325.09183	6.4
326.09473	0.2
347.76495	0.1
375.53418	0.1
439.63760	0.1
443.13312	0.1
453.14246	0.2
461.14108	0.1
471.14929	0.5
504.26773	0.1
505.27264	0.1
517.42938	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	794.3229
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03938	3.9
67.05489	1.5
69.03421	1.5
70.06590	0.8
71.04989	1.3
71.59122	0.8
75.04465	1.6
78.04686	1.2
79.05488	3.6
81.03407	2.1
81.07047	1.5
83.85417	0.5
85.02901	5.0
86.09694	0.7
91.05473	7.5
93.03410	4.3
93.07016	1.9
95.04959	5.5
97.02872	1.2
97.06516	2.2
102.04660	0.9
103.05470	16.9
105.03389	1.7
105.07040	5.5
106.04169	7.3
106.59558	0.6
107.04935	7.8
108.02091	0.6
109.06531	1.1
110.03652	1.3
111.04439	1.6
114.05540	1.3
115.05424	4.7
117.07001	4.3
118.04163	3.7
119.04937	5.1
119.08604	0.8
120.05728	0.7
121.06496	10.7
122.03625	1.8
123.04420	4.5
124.05197	2.0
125.05976	5.4
129.07007	0.9
129.84500	0.6
130.04126	0.9
131.04926	23.2
131.08580	0.9
132.05708	1.2
133.02844	1.8
133.06499	7.0
134.03656	1.5
135.04413	2.1
135.08025	1.9
137.05975	22.4
138.03104	1.2
139.07578	1.3
141.06972	1.3
142.02644	1.0
143.04930	1.7
144.05684	1.0
145.02840	1.3
145.06473	5.9
146.03638	1.2
147.04408	6.3
147.07983	1.6
148.05179	8.3
149.04774	1.0
149.05977	16.1
151.03897	18.3
151.05029	1.0
151.07536	2.7
152.04672	0.8
153.05463	3.4
153.09074	4.0
157.06494	1.3
159.04393	1.0
159.08041	1.4
160.05194	0.8
161.05974	10.9
162.06708	1.2
163.03944	3.6
163.07535	20.2
165.05467	1.9
167.07037	53.8
168.07387	1.3
171.06633	2.9
171.07922	0.6
173.05974	5.2
174.06772	1.0
175.03940	0.7
175.07518	4.9
176.04665	2.9
177.05476	10.6
177.09164	0.9
178.03549	0.6
179.07027	7.1
181.04955	63.3
181.08488	9.4
182.05339	1.2
185.06050	0.6
187.07542	4.0
189.05475	1.0
190.06252	1.1
191.07022	100.0
192.07570	1.7
193.04953	2.0
193.08571	3.0
195.06535	4.4
201.05461	1.4
203.07016	3.4
205.06744	0.8
205.08598	5.1
207.06480	1.7
207.08241	1.4
207.10185	1.9
209.08083	60.8
217.08589	2.4
219.08212	0.7
219.10101	5.3
221.08047	0.9
223.09596	0.7
225.07561	1.7
231.06450	0.8
233.08089	5.0
234.06747	1.0
235.07556	2.0
235.09639	5.7
236.08249	1.0
237.08986	1.0
245.08037	1.7
247.07484	1.0
249.09122	1.6
251.07005	0.9
251.09290	0.6
252.07898	1.0
253.08727	1.0
263.09152	31.9
265.08508	1.4
267.10092	2.2
277.05096	0.6
277.08548	0.6
279.06750	0.8
279.10147	3.2
281.08255	0.6
293.08075	1.0
295.09598	1.5
296.12762	0.8
297.11157	2.7
307.09601	1.3
309.11292	0.9
323.09055	1.4
324.09586	0.6
325.10825	3.1
327.12216	1.4
329.13834	2.0
331.11917	0.8
335.08859	0.7
337.10385	1.1
339.12344	1.2
340.12756	0.9
355.11627	1.8
357.13318	8.4
359.14761	1.5
367.11722	2.0
369.13290	2.9
371.14978	1.2
385.12808	15.6
386.13394	0.8
387.14389	10.4
389.15854	0.9
399.14307	4.0
417.15417	26.0
417.20996	1.3
418.15598	1.3
547.19653	1.2
551.22650	0.6
566.21729	0.6
579.21844	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.3063
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	1.5
55.05505	5.5
59.56005	0.5
65.03941	8.9
67.05491	1.7
69.03417	0.9
70.05605	0.9
70.06005	1.4
70.06564	0.7
71.04974	1.5
78.04698	0.8
79.05488	3.4
81.03413	0.9
81.07039	1.8
82.04191	1.3
82.06575	0.8
83.04951	0.9
83.08611	2.7
85.02917	2.7
91.05482	4.9
93.03394	2.0
93.07022	0.8
94.04187	0.7
95.01308	1.3
95.04976	5.1
95.08624	0.6
97.06521	1.3
100.07601	1.5
100.11250	19.3
101.11585	1.3
103.05464	2.6
105.03365	0.8
105.04503	0.8
105.07011	2.6
105.69212	0.5
106.04170	0.9
107.04286	0.7
107.04952	6.1
108.02107	0.7
109.06508	0.8
110.03653	7.8
110.06041	0.9
111.03696	1.0
111.04438	13.5
112.04810	0.6
112.07600	0.9
115.05452	2.2
117.06994	1.6
119.04932	2.2
119.08563	1.1
121.02863	2.6
121.04021	0.5
121.06506	3.4
122.03627	1.1
123.04451	4.1
124.05194	1.5
125.05979	12.9
127.03889	0.5
128.06212	1.1
128.07066	2.0
129.05420	0.5
129.06989	2.4
131.04912	4.3
131.08577	0.9
133.02815	1.1
133.06473	2.0
135.04413	3.1
135.08037	0.6
135.11639	0.6
136.05215	0.9
137.04997	1.0
137.05977	11.6
138.03027	0.6
138.06288	0.8
139.08624	0.8
140.04660	0.8
140.07040	1.1
143.04900	1.8
144.05644	0.7
145.06470	2.3
147.04376	2.8
147.08009	1.1
148.05188	0.9
149.06001	4.0
151.03909	4.2
151.07521	4.7
152.04684	0.8
152.06126	0.6
153.05463	40.3
155.04944	0.8
155.07059	0.7
157.06508	1.3
158.07213	0.5
159.08003	2.4
161.05974	3.8
161.09576	0.8
163.03905	6.2
163.07535	1.6
164.04514	0.7
165.05440	1.6
165.06923	0.9
167.07031	31.4
168.07410	1.7
169.06441	1.9
171.07979	0.7
172.05159	0.9
173.05956	1.4
174.06612	0.6
175.03807	0.5
175.07555	4.5
177.05438	2.5
177.09055	1.1
178.07832	1.4
179.07019	2.1
179.08505	0.9
181.04999	4.8
181.06425	0.7
181.08597	1.4
182.05266	1.4
182.15393	8.0
183.06570	1.1
183.08060	1.7
183.15819	1.2
185.05992	0.6
186.06779	0.6
187.07549	5.0
189.06985	0.7
189.09090	1.0
190.07820	1.2
191.06996	3.8
191.08565	1.6
193.04919	0.6
193.08569	1.6
195.06516	1.8
195.08034	1.2
197.05937	3.8
198.06808	0.8
199.07558	2.2
201.05490	0.7
201.09109	2.3
202.07796	0.6
203.06918	0.9
203.08597	1.4
205.06534	1.1
205.08488	1.1
206.07323	1.2
207.04713	0.5
207.06506	1.8
207.08141	1.3
208.08913	0.9
209.06105	0.8
209.08006	7.1
209.09862	0.7
209.16460	5.6
210.06737	0.8
210.14888	9.9
210.16679	0.8
211.07597	3.0
211.15285	1.0
212.08301	1.6
213.08940	0.6
217.08694	0.6
218.07346	1.1
219.08055	2.7
220.08876	1.3
221.06003	1.3
221.09518	2.5
222.06757	0.8
223.07477	1.2
224.08252	1.1
225.05408	2.6
225.07561	1.7
226.19139	1.7
227.07047	1.5
227.17532	0.9
228.15965	1.1
229.08533	1.2
231.08093	1.2
231.10132	6.5
233.05986	0.9
234.06790	1.5
235.07550	3.0
236.08231	1.9
237.09099	1.7
238.06306	0.5
238.09779	0.9
239.06992	2.7
239.10698	0.6
240.07768	16.8
241.08517	2.6
242.05641	0.8
247.07530	2.3
248.08347	1.7
249.05658	0.9
249.09099	4.0
250.09795	1.0
251.07001	2.0
251.10760	2.6
252.07770	1.6
253.08548	1.5
253.12244	1.6
255.06386	0.7
255.10130	0.5
257.08051	6.0
259.07565	0.9
261.09155	1.7
262.05899	0.7
263.07077	2.1
263.10648	1.5
264.07822	2.3
265.08591	3.4
266.09393	4.6
267.06543	1.6
267.10046	2.6
268.07397	0.9
268.10699	0.6
269.08063	1.2
270.08752	1.1
272.10422	3.8
275.06995	1.1
275.10745	0.7
276.07822	1.2
277.08456	2.8
278.09412	3.0
279.07013	0.7
279.10172	2.9
280.10944	1.7
281.08163	1.4
281.11719	6.7
282.08752	2.7
283.09686	1.2
284.10529	0.6
285.07632	1.3
289.08624	1.0
290.09512	0.7
291.10147	1.7
292.07455	0.6
293.08072	1.8
293.11630	0.9
294.08884	1.6
295.06659	0.5
295.09549	2.6
296.10330	0.7
297.07684	0.6
297.11331	0.6
298.11996	1.0
300.09891	5.3
302.11649	0.5
306.08691	0.8
307.09717	2.5
308.10443	1.3
309.11194	26.7
310.11865	1.9
311.09338	0.9
311.12729	3.8
313.11017	0.7
313.14331	1.8
319.09586	1.0
321.11142	3.0
323.12778	0.7
325.10608	1.4
325.14343	1.4
326.11368	1.5
326.28027	0.6
327.12292	0.9
333.11136	0.8
335.12689	0.6
336.22559	0.7
337.10715	6.4
338.11530	0.8
339.12280	15.5
340.12863	1.2
341.13812	100.0
342.14185	4.7
343.30811	0.7
345.11133	0.6
351.12100	3.4
353.09781	0.9
353.13837	9.9
355.11719	3.4
357.13358	1.9
369.13242	1.5
370.13846	0.6
371.14856	4.8
383.14743	1.0
386.13184	0.7
387.14322	0.8
399.13879	0.6
416.14737	1.8
417.14975	2.8
418.15573	0.9
453.34384	0.9
461.14539	0.6
461.50308	0.5
487.17374	0.8
488.16776	0.6
499.17657	1.0
517.18524	1.3
549.21167	6.8
613.22723	0.6
614.22797	1.2
615.22968	1.7
661.50146	0.7
679.50757	3.8
680.51105	1.6
736.00610	0.6
784.09583	0.7
784.59052	0.7
792.59656	2.4
793.09930	5.4
793.59735	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	792.4135
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	5.4
55.05505	6.8
57.03432	8.3
57.07066	4.2
61.02918	19.7
67.05493	9.1
69.07074	9.5
70.20955	12.1
70.21355	6.0
73.02908	12.8
73.34886	4.1
79.05481	8.8
81.03417	7.0
81.07040	18.6
83.01079	6.3
85.02916	24.1
91.03943	14.9
91.05478	6.4
93.07035	8.6
94.53156	3.9
95.01095	4.6
95.08591	12.7
97.02857	17.1
99.04457	6.1
101.02332	7.8
105.07023	10.7
107.08569	9.6
108.85946	4.1
109.10128	7.7
121.10125	5.2
127.03873	13.5
129.05418	10.8
135.11584	5.3
137.13281	6.0
141.05165	4.7
178.16960	4.3
185.04205	37.3
199.05817	6.1
199.13120	4.2
201.03665	15.7
203.05186	4.6
231.69624	4.7
243.08400	13.0
248.98868	4.2
259.08020	6.9
301.08954	90.0
315.10480	28.8
327.10583	4.7
327.77942	4.1
333.52020	4.2
335.25851	4.4
341.24585	5.2
343.13550	7.8
347.01105	4.0
355.13464	7.1
357.15189	7.6
371.16760	9.9
373.11044	48.0
383.16635	5.0
385.13751	6.6
385.18307	81.7
387.12262	5.5
399.25290	9.5
415.15433	6.0
423.19763	4.6
429.17133	13.9
441.21173	6.3
457.20425	18.6
469.20746	29.2
471.22031	6.4
483.22391	11.1
483.34387	39.7
509.23389	17.2
510.23450	6.5
513.26581	6.8
519.29266	60.9
529.34937	9.0
535.28723	5.8
539.37091	7.5
549.26392	16.4
553.29712	5.0
563.28046	4.8
567.31036	6.3
578.30481	100.0
585.37390	5.2
591.31396	32.5
593.32013	6.6
605.32672	10.8
607.34540	7.5
610.29480	9.1
619.34149	15.6
633.33820	6.9
647.34271	9.9
661.38831	19.6
662.40051	83.3
675.40039	9.3
701.42041	9.7
703.40186	24.1
717.41425	39.3
718.42181	8.2
729.41541	34.4
746.42316	20.2
792.40601	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	793.3066
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.9
55.05495	0.4
65.03940	6.3
67.05502	2.1
69.03419	0.8
69.46424	3.2
71.04977	1.3
77.03950	0.4
78.04682	0.5
79.05490	2.1
81.03409	0.5
81.07040	1.2
82.04185	1.6
85.02913	2.7
91.05473	3.9
93.03400	1.3
93.07031	0.9
95.01321	1.2
95.04961	2.8
95.08610	0.6
97.02874	0.5
97.06531	0.6
99.04366	0.3
100.11230	1.4
103.05447	1.3
105.03387	0.5
105.07016	1.4
106.04151	1.1
107.04948	4.8
107.08595	0.6
108.02098	0.8
109.02871	0.7
109.06507	0.9
109.10136	1.2
110.03656	8.3
111.04436	11.8
115.05427	1.6
117.03405	0.4
117.07011	1.2
118.04177	0.4
119.04935	2.2
119.08576	0.4
121.02866	1.6
121.06487	2.9
122.03658	0.8
123.04439	3.0
123.11677	0.5
125.05985	11.4
127.03928	0.7
128.06226	0.5
129.06990	2.0
131.04906	2.7
132.05722	0.4
133.02873	0.8
133.06468	1.1
133.10191	0.3
134.03656	0.4
135.04398	1.7
135.11647	0.6
136.05179	0.9
137.02347	0.5
137.05960	6.7
138.03136	0.6
140.04665	0.5
141.05447	0.3
141.06966	0.5
143.04895	1.4
144.05701	0.5
145.06482	1.4
147.04384	1.5
147.08043	0.5
148.05173	1.6
149.06000	3.3
151.03905	4.0
151.07524	3.4
152.04695	0.4
152.06151	0.5
153.05458	40.0
154.05788	0.7
155.07036	0.5
157.06467	1.2
158.07210	0.4
159.04451	0.4
159.08067	1.5
160.05220	0.4
161.05957	3.0
161.09613	0.8
162.06564	0.4
163.03882	4.9
163.07561	1.3
165.05493	0.9
165.06981	0.7
167.07043	18.5
167.08392	0.6
168.07410	0.6
169.06512	1.5
169.12260	0.5
171.08070	0.5
173.05994	1.0
174.06732	0.5
175.07567	2.2
177.05525	2.6
177.06943	0.6
177.09071	1.4
178.07695	0.7
179.07092	1.7
179.08488	0.5
181.04965	1.9
181.06509	1.3
181.08556	1.5
183.06602	0.6
183.08076	1.1
185.05855	0.5
187.07526	2.8
188.08249	0.5
189.06972	0.5
189.09111	1.0
190.07735	0.6
191.06999	2.2
191.08531	0.7
192.07646	0.3
193.06590	0.3
193.08572	0.9
194.07175	0.5
195.06488	1.1
195.08096	1.5
197.05994	4.6
198.06683	0.5
199.07494	1.7
201.05344	0.4
201.09137	2.1
202.07776	0.9
203.08614	0.9
205.06523	0.9
206.07281	0.7
207.04485	0.6
207.06500	1.1
207.08182	0.8
208.08836	0.5
209.06017	0.8
209.08017	4.6
210.06712	0.8
210.08617	0.5
210.14951	0.4
211.07541	3.0
212.08368	1.6
213.09151	0.6
214.06241	0.9
215.06912	0.5
216.07838	0.4
217.06650	0.5
217.08530	0.5
218.07251	1.0
219.08107	3.0
220.08852	0.8
221.05959	1.2
221.09607	1.7
222.06731	0.8
223.07491	2.2
223.11122	0.5
224.08295	0.7
225.05458	2.5
225.09084	1.0
226.06169	0.9
227.07019	1.5
229.08566	1.0
231.08029	0.9
231.10097	5.0
233.06029	0.8
233.09648	1.0
234.06709	0.7
235.07526	1.9
235.09445	0.4
236.08263	1.0
237.09131	2.1
238.06332	0.7
238.09859	1.0
239.07001	2.9
239.10634	0.6
240.07809	16.6
241.08525	2.3
242.05646	0.6
242.09331	0.5
245.79431	0.3
246.06670	0.4
247.07593	1.6
248.08260	1.0
249.05406	0.7
249.09163	2.2
250.06210	0.4
250.09738	0.7
251.07068	1.5
251.10646	2.1
252.07686	1.0
253.04930	0.6
253.08582	1.4
253.12262	1.4
254.09355	1.0
255.06485	0.9
255.10153	0.8
256.07269	0.5
257.08041	6.0
259.07446	0.6
261.08939	0.8
262.10095	0.4
263.07004	1.2
263.10605	1.0
264.07831	1.2
265.08597	2.2
266.09311	4.6
267.06522	0.7
267.10132	1.9
268.07245	1.1
269.08099	1.1
270.08899	1.3
272.10464	4.6
274.96432	0.3
275.06812	0.5
276.07864	0.8
277.08530	1.7
278.09314	1.7
279.10172	3.1
280.07547	0.5
280.10867	1.1
281.08093	1.4
281.11716	5.8
282.08981	2.2
283.09695	1.0
284.10385	0.8
285.07452	1.8
289.08527	1.0
290.09238	0.4
291.10120	0.9
293.08270	0.7
293.11703	1.3
294.08862	1.3
294.12097	0.4
295.09528	2.3
296.10422	0.8
297.07797	0.5
297.10980	0.4
298.12027	0.9
299.09326	0.4
300.09988	5.8
301.08197	0.4
302.11658	0.9
306.08691	0.5
307.09503	1.0
308.10498	0.9
309.11200	26.8
310.11902	1.7
311.09344	0.8
311.12756	2.0
312.09991	0.6
313.10889	0.7
313.14349	2.4
319.09555	0.8
321.11234	2.3
322.11935	0.6
323.12787	1.2
325.10690	0.9
325.14310	1.5
326.11395	1.4
327.12473	0.4
335.12674	0.7
337.10745	2.4
337.14462	0.6
338.11084	0.6
339.12274	12.4
340.12762	1.1
341.13815	100.0
342.14130	2.8
343.15332	0.7
351.12234	1.3
352.12787	0.4
353.09680	0.7
353.13800	9.4
355.11661	1.8
355.15390	0.8
369.13135	0.8
371.14886	3.8
387.14484	0.4
399.14404	0.4
416.14514	0.4
417.15268	0.4
487.17123	0.4
499.17245	1.2
511.17603	0.5
517.18451	1.3
535.19470	0.8
547.19238	0.5
549.21185	6.8
550.21295	0.4
561.20398	0.4
615.23010	0.6
723.10852	0.4
793.09045	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	792.5617
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.1
55.05513	13.5
57.03440	8.9
57.07073	2.1
58.24118	0.3
61.02917	2.7
65.03944	2.3
67.05504	55.9
68.05832	0.7
69.03424	1.1
69.07067	13.3
71.04989	1.7
71.08633	0.5
71.38557	0.7
73.02907	0.6
78.67975	0.4
79.05493	33.8
81.03407	1.1
81.07057	56.6
83.04971	1.7
83.08622	7.8
85.02901	2.2
85.06543	1.5
91.03967	0.8
91.05481	21.3
93.07043	40.4
94.07368	0.6
95.04971	4.2
95.08607	46.0
96.08914	0.5
97.02901	1.8
97.06543	2.9
97.10173	2.7
99.08091	1.4
103.05459	0.4
105.04536	0.6
105.07032	16.2
105.36623	0.4
107.04958	0.4
107.08594	25.1
109.06528	1.6
109.10156	20.6
109.10915	0.7
110.10455	0.5
111.08076	1.7
111.11707	0.9
113.09637	0.7
115.05491	0.4
117.07008	6.0
119.08580	15.3
121.06429	0.4
121.10143	21.3
123.08079	1.5
123.11703	9.5
125.09645	0.8
128.95276	0.4
129.07002	1.9
131.08568	10.5
133.10126	13.3
135.11691	14.8
137.09625	1.3
137.13264	2.7
139.11182	0.8
143.08534	1.6
145.10120	9.8
147.11684	9.9
147.12784	0.8
149.09613	0.6
149.13243	8.8
153.12749	0.5
155.08591	0.5
157.10138	1.7
159.11684	9.3
161.13249	8.5
163.11139	0.6
163.14810	4.9
165.12793	0.8
165.16373	0.5
169.10080	0.8
171.11696	2.0
173.13275	6.4
175.14812	3.3
177.12672	0.7
177.16382	1.7
179.14381	0.6
185.13252	2.2
187.14851	3.5
189.16360	1.6
190.17091	0.4
197.13234	0.6
199.14857	1.0
201.16377	1.7
203.17905	0.5
205.15865	0.6
213.16472	0.8
215.17943	0.9
219.17439	0.5
231.21004	1.0
233.22716	0.6
241.19585	3.5
243.21063	4.7
245.22684	0.9
257.18912	0.6
259.20581	8.1
261.22144	19.0
263.23669	1.6
273.22250	0.5
277.21732	0.8
279.23270	0.9
289.15396	0.4
299.23685	1.2
305.04077	0.4
313.25049	0.6
314.65216	0.4
315.23282	0.9
317.24823	3.1
333.24240	6.2
335.25797	100.0
336.26190	2.3
337.27371	9.5
353.27188	0.5
367.92407	0.4
375.29190	0.4
485.73383	0.4
489.35614	0.4
503.36890	0.9
521.43500	2.3
529.38519	0.5
539.44562	0.8
543.40344	0.8
595.47186	15.6
596.47455	1.0
613.48175	12.6
613.56329	0.3
613.58075	0.5
614.49048	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	792.4139
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	4.9
55.05508	5.0
57.02369	2.2
57.03447	13.3
57.07079	4.2
60.98249	2.1
61.02932	21.5
63.31089	2.3
65.98009	2.1
67.05502	13.5
69.03436	13.3
69.07073	6.6
69.93412	4.3
69.93825	8.8
71.50404	2.1
73.02924	18.8
79.05482	12.6
81.03421	7.3
81.07061	18.5
83.01096	6.6
83.08641	5.2
85.02905	27.2
91.03955	22.0
91.05505	7.9
93.07065	12.0
95.01083	3.5
95.08605	10.2
96.01896	2.9
97.02898	23.4
98.21478	2.8
99.04456	4.9
101.02359	6.3
103.03947	2.7
105.07036	7.5
107.08591	7.0
109.02881	3.7
109.10175	5.9
117.05508	3.5
119.08591	4.0
121.10126	7.1
123.04195	3.4
123.11729	2.6
125.09496	2.1
126.11112	2.1
127.03923	9.0
129.05486	7.5
131.08592	3.8
133.10120	3.7
135.11681	5.7
145.04904	3.1
145.10124	3.3
147.11639	2.8
156.03969	3.1
176.57622	1.9
181.04738	6.8
185.04234	31.0
185.11731	3.7
195.06319	2.9
199.05768	3.3
201.03673	16.3
203.05309	4.5
207.13644	2.4
216.32047	2.1
241.06915	5.5
243.08469	18.3
251.12498	3.5
256.10956	2.3
265.14294	2.9
291.15848	3.8
301.08969	61.7
305.17090	2.2
313.08936	2.9
315.10501	18.9
317.08353	5.8
327.10580	3.7
327.22849	3.8
329.11969	6.7
335.25809	4.0
341.12024	4.4
343.13705	8.1
355.13611	7.7
355.17450	2.4
357.14996	4.1
369.15109	6.9
371.16772	16.1
373.11188	36.7
383.16684	3.7
385.18320	53.3
387.12756	6.8
399.24982	5.4
411.20154	2.2
415.15781	2.4
417.26154	2.9
423.19873	4.5
427.15674	2.5
429.17316	9.7
449.21225	2.9
455.18845	6.1
457.20563	16.6
463.23068	4.6
469.20502	17.4
471.21915	4.5
483.21860	6.1
483.34140	3.9
489.24509	3.0
495.21976	3.9
509.23468	15.2
510.24561	2.3
513.26367	6.8
519.29248	56.6
523.24976	9.4
527.28711	4.3
529.34888	6.5
535.25226	4.2
537.26263	2.8
549.26422	15.4
553.30048	5.5
563.28192	5.6
567.30963	5.9
578.30597	100.0
579.30780	5.3
591.31512	34.7
592.32312	2.8
593.32947	3.5
594.33954	4.4
596.35040	4.5
605.32593	9.9
607.34259	6.8
610.29755	10.3
619.33984	13.4
620.34973	6.2
633.35437	6.7
634.36621	3.7
637.31720	3.9
647.34332	7.8
661.39105	18.4
662.40021	87.8
663.39520	4.5
675.41229	11.4
677.35272	3.0
685.67310	2.5
689.38422	2.8
701.42010	9.3
703.40277	23.2
717.41803	38.4
718.42023	9.5
729.41736	28.6
745.41125	2.9
746.41901	16.9
792.40997	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	791.2899
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.5
55.05508	1.2
65.03927	4.6
67.05500	5.5
69.03411	2.1
69.07057	1.2
70.06585	1.0
71.05012	1.6
71.20554	2.4
78.04698	1.5
79.05486	5.9
81.03408	4.0
81.07052	3.6
82.04214	1.2
83.04971	1.3
83.08608	1.3
84.04483	0.8
85.02903	6.5
86.09710	1.0
91.05476	15.1
92.02586	0.8
92.06248	1.0
93.03395	1.8
93.07024	2.0
94.04195	1.1
94.90431	1.0
95.04968	2.6
95.08610	1.5
97.02902	1.4
97.06522	1.2
103.05444	3.8
105.03391	1.1
105.07031	3.0
106.04179	1.6
107.04947	21.0
107.08570	1.5
109.02868	1.4
109.06527	0.8
109.10131	2.4
110.03642	1.7
111.04427	3.4
115.05446	7.5
117.07011	7.4
119.04910	6.0
119.08572	2.2
120.05722	3.7
121.06469	3.7
122.03635	1.7
123.04426	6.6
124.05177	1.3
125.05984	2.9
125.09656	0.7
127.03905	1.1
127.05393	1.2
128.06190	1.4
129.06979	2.4
131.04932	6.6
132.05681	1.0
133.06444	4.0
135.04398	5.4
137.05969	19.0
138.03058	1.0
139.03922	1.3
142.02612	1.7
143.04941	1.8
144.05664	1.1
145.06485	12.6
147.04402	9.4
147.08049	3.2
148.05193	6.4
149.05974	2.0
151.03943	4.4
151.07483	1.2
152.04655	2.3
153.05443	2.4
154.06256	1.8
155.05986	3.0
157.06512	1.4
157.10118	1.1
159.04430	1.0
159.08003	1.4
160.05193	1.4
161.06020	5.8
163.03912	8.9
163.07523	1.8
165.05481	16.0
167.07036	80.4
168.07594	0.8
169.04839	0.9
171.06551	5.8
172.05173	1.1
173.04584	0.7
173.05975	18.8
175.07494	3.2
177.05475	1.8
179.05505	0.9
179.07033	2.5
181.04950	98.1
182.05286	1.0
187.07729	1.4
189.05493	2.2
190.06219	1.2
191.07030	5.4
193.08632	1.3
195.06544	1.5
199.07396	1.0
201.05479	3.5
203.07004	3.5
205.04968	3.0
205.08582	8.6
206.09212	1.0
207.06473	0.9
208.07301	2.3
209.07968	1.4
211.13426	1.0
214.06224	1.3
217.05209	0.9
217.08623	1.5
219.06477	2.5
220.07269	6.6
221.08023	3.7
231.06366	1.1
233.08020	5.5
234.08810	4.8
235.07498	1.5
235.09616	8.5
265.08459	1.7
279.10315	0.9
283.09705	1.0
291.10086	1.5
293.08032	1.1
294.09116	1.2
297.10934	1.0
310.11823	0.9
317.10330	1.4
323.09021	1.1
325.10699	1.4
327.12265	1.7
333.35934	0.9
339.12210	1.7
355.11707	5.2
357.13342	3.6
373.12628	1.2
385.12766	22.6
386.13400	1.5
387.14380	7.9
397.12897	1.5
398.13593	7.6
401.12006	1.7
415.13916	6.9
416.14645	100.0
417.15271	7.6
430.12411	4.3
431.47318	0.9
565.20819	1.5
577.80414	1.1
583.21729	2.1
612.22308	5.3
613.22784	43.8
614.22498	1.7
791.27765	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	790.4574
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01636	3.7
55.01854	18.9
55.05510	34.8
57.03445	22.6
57.07084	4.0
58.24324	2.6
59.05000	3.9
61.02917	7.3
65.03931	4.3
67.05502	99.1
69.03442	12.6
69.07067	57.6
71.04993	10.8
79.05054	5.4
79.05493	73.0
81.03414	66.8
81.07056	100.0
83.04979	25.7
83.08622	31.5
85.02909	29.1
85.06533	6.8
91.03948	4.4
91.05480	82.6
92.97953	3.0
93.07042	70.0
95.04966	44.2
95.08606	53.5
97.02875	13.6
97.06525	28.9
97.10178	11.4
98.20655	4.8
99.04404	3.6
102.41647	2.6
105.07031	67.1
107.04949	20.2
107.08593	38.1
109.06496	9.6
109.10140	40.0
111.04486	3.2
111.08071	13.8
113.06023	4.0
115.05444	4.2
116.04773	2.4
117.07020	17.8
117.07726	2.8
119.04968	3.1
119.08579	49.8
119.09367	4.6
121.06522	7.3
121.10139	24.0
123.08074	10.6
123.11693	4.4
125.09663	10.5
127.03898	3.5
129.05501	6.6
129.06993	14.5
131.08569	26.1
133.06477	5.9
133.10124	43.3
135.08083	4.6
135.11684	12.5
135.20671	3.0
135.24890	3.0
135.95670	2.7
137.09648	22.0
137.13242	5.3
143.08592	7.2
145.10109	18.8
147.04410	11.5
147.08067	9.3
147.11690	26.6
149.09592	23.5
149.13229	7.5
157.09009	3.6
157.10124	20.5
159.11700	13.3
161.09679	4.1
161.13274	4.9
163.03864	9.4
163.11208	12.9
165.12752	3.6
171.10190	3.7
171.11729	4.2
173.11766	7.9
173.13205	4.7
175.11189	16.5
177.12787	4.5
179.14334	3.8
183.11642	3.4
189.11220	5.5
193.12234	45.2
195.13731	2.9
197.13290	2.6
199.13205	4.8
211.13275	64.9
227.12778	10.6
229.14394	16.4
229.19485	3.2
255.15840	6.3
257.19016	11.3
259.20621	3.5
267.15927	30.9
269.17487	6.0
273.18503	4.7
275.20074	37.6
285.16946	49.2
289.81894	3.0
291.19571	9.9
293.21201	3.6
299.15167	4.6
301.16525	17.7
331.22495	3.7
349.23752	50.5
363.21219	2.8
365.23422	6.2
381.23184	3.3
421.25833	7.1
439.26926	22.6
447.27606	3.3
453.10532	3.4
461.28760	3.3
463.30353	9.3
495.29089	7.2
541.35254	19.9
557.34619	7.2
559.36273	46.3
575.35748	10.9
577.36365	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	788.2966
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.2
55.05502	0.3
57.03181	0.2
57.03439	2.1
61.02917	0.1
63.02392	0.3
68.23098	0.1
69.03428	1.3
69.31084	1.4
71.01365	0.2
71.04991	13.5
73.02934	0.3
75.04482	0.7
79.05494	0.2
81.03422	0.6
83.04981	1.2
85.02903	15.5
87.04456	0.4
89.03908	1.6
97.02887	3.4
97.20396	0.1
98.20757	0.2
99.04455	0.5
100.52770	0.1
100.87660	0.1
101.02385	0.1
107.04967	0.7
109.02885	0.3
111.04449	0.8
117.03375	2.5
119.04918	0.2
121.06480	0.2
123.04449	0.2
127.03891	0.6
129.05476	4.8
135.04414	7.6
145.02843	7.4
145.04839	0.3
147.04449	0.6
147.06514	2.0
163.03897	100.0
164.04242	1.2
181.04944	2.0
193.05054	0.2
255.08755	0.2
265.06943	0.1
273.07489	0.3
283.08051	0.1
291.08524	0.6
303.03384	0.1
307.08185	0.9
309.09634	2.3
325.09171	23.6
326.09601	0.5
339.30814	0.1
435.12906	0.2
471.14926	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.3338
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03943	1.0
67.05502	1.3
69.96893	3.5
69.97303	1.7
79.05494	2.4
80.05024	1.6
81.03421	3.3
81.07044	6.0
85.02897	3.6
91.05476	4.2
93.05809	1.4
93.07048	4.1
94.06562	8.4
95.04977	1.9
95.07344	2.3
96.08127	6.2
97.02901	2.1
97.06528	1.0
98.21385	1.5
99.04347	1.0
103.05466	1.9
105.07032	1.4
106.06552	2.8
107.07334	2.6
108.04472	1.8
108.08120	20.7
109.02868	1.8
110.09674	13.3
118.06550	1.7
119.04918	1.0
120.04467	3.4
120.08095	17.9
121.06542	1.5
122.06026	16.1
122.09668	7.4
124.07564	3.5
131.07312	1.1
132.08099	1.5
134.06023	3.6
134.09653	2.0
136.07568	29.6
136.08539	1.8
137.05984	1.1
137.13358	0.9
138.05525	1.9
138.09131	16.5
144.04486	1.1
145.06458	1.1
146.06001	7.1
146.09680	1.0
147.04395	2.1
148.07553	16.5
150.05508	2.3
150.09135	8.1
152.07072	10.6
160.03926	2.4
160.07597	4.3
161.05971	1.5
162.05515	2.7
162.09135	2.0
163.03905	2.3
164.07071	5.5
165.07990	1.0
166.08638	18.7
167.07025	19.0
172.03925	9.0
173.06001	1.6
174.05531	2.4
174.09116	2.1
176.07098	2.2
178.08687	1.4
180.10120	1.0
181.05005	3.5
186.09103	1.1
190.04979	7.4
194.08176	1.5
196.09865	1.6
197.10643	2.2
198.11548	2.8
199.12346	2.3
201.05389	1.0
204.06511	8.6
207.06558	2.0
208.09808	1.9
209.10791	1.5
210.11491	1.7
211.12259	7.8
212.09229	1.1
212.12997	2.0
213.10277	2.2
213.13885	1.5
220.09868	1.4
221.10695	1.2
222.11450	1.9
223.08636	1.5
223.12228	5.0
224.13034	1.5
225.10252	10.6
225.13840	3.9
226.10948	6.2
227.11792	8.6
228.12314	1.2
229.13348	2.1
233.10629	1.5
235.08626	1.7
235.12350	2.4
236.09468	1.9
237.10175	11.2
237.13861	2.0
238.10980	10.5
239.11784	24.6
240.12546	6.5
241.13383	3.2
246.11343	1.3
248.09418	2.2
249.10181	8.9
250.10991	5.5
251.08138	1.7
251.11777	30.0
252.08946	2.2
252.12544	10.0
253.09717	3.7
253.13344	11.3
254.14020	1.2
255.11304	6.5
257.13000	1.0
257.60074	1.1
261.10236	2.1
262.11063	2.3
263.08899	1.7
263.11783	19.9
264.08902	2.6
264.12436	4.8
265.09778	10.2
265.13364	12.7
266.10593	9.0
266.13742	6.2
267.11267	23.4
267.14563	1.9
268.11874	1.7
269.12857	5.3
271.10779	2.4
271.14233	1.6
273.12292	2.4
275.11752	1.3
276.12473	1.4
277.09769	4.2
277.13339	3.5
278.10422	5.6
278.13940	1.0
279.11273	37.9
280.12045	7.7
281.09705	1.9
281.12790	14.1
283.10782	3.4
283.14496	3.0
284.11612	1.5
285.12354	16.6
291.11313	15.6
292.12009	4.5
293.09250	2.8
293.12753	12.9
294.13593	2.0
295.10733	3.6
295.14279	1.4
296.11502	1.3
297.12323	18.6
298.13083	3.8
299.13898	8.4
307.10687	5.4
309.12274	8.9
310.12988	5.3
311.10361	2.6
311.13840	29.2
312.14417	1.4
313.15350	1.8
316.14682	1.3
319.10870	8.9
321.12326	10.0
322.13086	1.9
323.10229	6.2
323.13989	3.9
325.11804	6.0
326.12622	1.8
327.13437	6.3
328.14639	1.6
329.15317	1.4
330.16034	2.7
332.17502	1.5
333.12122	1.1
337.11832	4.1
338.12363	1.3
339.13431	9.1
340.14063	2.3
341.15033	3.5
343.13113	1.2
344.17599	2.0
346.19135	1.2
351.13324	3.0
353.15070	3.0
355.13062	2.1
356.13730	1.2
356.17664	1.7
357.14575	3.6
358.15363	2.8
358.19327	1.8
363.13141	1.3
369.14594	5.3
370.15280	2.6
371.16000	2.7
372.17108	2.4
376.20276	1.3
379.12921	4.3
381.14444	3.1
382.15466	1.6
383.15952	1.8
384.17178	1.7
386.14490	1.7
386.18735	2.1
388.16376	1.6
389.15268	1.1
393.14359	3.0
395.16235	2.2
398.14453	1.2
399.15451	3.9
400.16351	6.3
402.18353	1.9
404.19843	2.7
405.14371	2.2
407.15875	2.4
407.92603	1.3
409.13718	1.8
410.14468	1.4
411.15457	11.4
412.16574	5.1
413.17068	2.6
414.18359	2.0
415.14352	1.2
416.20020	1.4
417.15457	2.3
418.21054	3.1
423.15460	4.1
424.16132	2.0
427.14548	1.8
429.16583	9.9
430.17487	7.1
431.18045	2.5
432.19135	3.1
435.15469	3.6
439.15305	4.9
441.16599	8.1
442.17703	1.9
443.17929	1.4
444.19037	1.9
446.20798	4.9
450.20078	3.1
451.14978	1.4
453.16589	8.5
457.16104	1.8
459.17587	3.5
460.18488	1.7
462.20062	1.4
463.14926	3.5
464.22104	1.3
465.16797	1.7
467.14432	4.1
469.16010	5.2
471.17694	14.4
472.18604	3.8
473.19379	1.1
474.20590	1.3
481.16025	16.2
483.17966	1.7
499.17319	1.8
501.18610	1.3
506.22769	1.1
530.22833	2.2
532.20483	1.4
544.20789	1.3
546.21741	2.3
550.20221	1.2
556.21051	2.7
558.21997	2.8
562.21497	2.5
566.24756	3.3
568.20221	1.4
570.22461	1.4
574.21533	4.8
576.23328	1.8
578.24786	3.9
580.22638	3.3
586.22076	1.2
588.23315	2.7
590.24805	3.1
591.22375	2.3
592.22961	5.5
593.23651	32.3
594.24561	26.3
595.24982	1.7
604.22418	4.4
606.24518	31.7
607.24799	1.9
616.22717	4.0
618.24127	9.1
620.22327	19.5
621.23071	13.7
622.23840	12.6
627.23950	4.6
634.23914	72.8
635.24591	11.9
636.25330	5.1
652.25055	5.7
655.27106	1.5
666.26569	59.5
667.27332	11.6
668.27917	2.0
693.28638	1.6
703.27289	1.3
711.29822	2.9
721.28497	5.5
729.30896	3.5
739.29633	15.6
740.29803	1.9
757.30743	100.0
758.31116	6.6
789.33423	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	787.4583
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	20.0
55.05507	20.7
56.02627	0.9
57.03434	36.8
57.07075	8.3
61.02921	12.9
65.03944	2.4
67.05503	65.6
69.03420	9.7
69.07063	17.6
70.19959	2.8
70.20364	1.6
71.04984	3.7
72.29173	0.8
73.02915	13.4
77.03961	1.1
79.05489	45.5
80.06263	2.4
81.03414	9.9
81.07053	63.8
82.04190	2.2
83.04984	18.7
83.08610	9.3
84.02099	1.4
84.05733	1.2
85.02905	10.1
85.06530	3.1
87.04459	2.4
91.03944	5.5
91.05477	33.5
92.06269	2.0
93.07040	58.0
94.07826	3.3
95.04966	15.1
95.08601	44.0
97.02883	6.7
97.06525	14.7
97.10169	3.6
98.07312	2.1
99.04486	1.3
99.08098	2.9
101.06020	5.3
103.03856	1.0
105.07027	27.6
106.07822	1.9
107.04951	3.5
107.08588	33.7
108.09382	4.2
109.02888	1.1
109.06516	5.3
109.10153	20.9
110.07272	2.3
111.04466	0.9
111.08096	5.3
113.05960	1.2
115.05460	0.9
116.04705	40.4
117.05494	3.7
117.07018	12.2
119.08581	23.4
120.09366	3.1
121.06520	3.1
121.10140	30.2
121.11017	1.2
122.10929	3.7
123.08073	6.5
123.11707	8.2
125.09625	2.6
127.03899	1.4
127.11192	3.3
129.05473	90.7
129.06866	6.5
130.07744	1.9
131.08556	19.1
132.09370	1.6
133.06458	1.6
133.10127	18.8
134.10863	2.1
135.08055	2.6
135.11693	17.1
136.08778	1.2
136.12505	4.9
137.09641	2.7
137.13239	2.9
139.11220	1.2
143.07030	35.1
143.08527	5.0
145.10112	13.8
146.10915	1.7
147.08092	2.1
147.11693	14.7
148.08824	1.1
148.12378	1.3
149.09633	4.2
149.13257	10.4
150.14081	1.2
151.14801	1.1
155.07100	1.2
155.08530	1.8
157.08607	66.4
157.10028	5.7
158.05760	1.4
159.08128	1.0
159.10385	1.7
159.11676	10.9
161.13274	6.9
162.14117	1.1
163.11221	2.8
163.14783	5.8
164.11958	2.3
165.12758	1.4
167.07158	1.1
167.10663	1.5
169.10063	2.1
171.06482	1.6
171.10175	14.9
171.11702	3.5
173.13252	9.9
175.11186	3.4
175.14806	3.6
177.12650	1.2
181.12238	1.7
183.11679	1.1
184.07356	1.2
185.11736	8.9
185.13289	2.3
185.35045	1.2
187.14806	3.9
189.16406	2.3
192.11494	1.1
193.12178	5.2
197.13300	1.4
199.09679	1.2
199.13283	6.4
199.14896	1.7
200.14064	25.5
200.15820	1.8
201.14842	2.5
210.12398	1.7
211.13286	3.9
213.11238	3.0
213.14804	2.0
223.13194	2.2
227.12834	2.6
229.14349	1.5
233.18851	1.0
241.14349	1.9
241.19469	1.9
243.21118	7.3
255.15764	4.7
259.20615	3.3
261.22107	21.9
267.15857	8.6
269.17279	1.5
273.18484	2.6
279.03946	1.1
284.16208	5.1
285.16916	1.7
316.23923	1.6
317.24695	2.3
330.15448	98.6
331.15863	1.3
333.24307	2.4
335.25781	100.0
336.26086	2.2
351.25211	1.5
405.29175	1.3
417.31012	1.2
435.32153	2.1
453.33371	1.5
460.35162	2.1
473.32602	1.1
492.46521	0.9
509.35724	1.8
527.37305	20.4
544.37579	1.9
545.38293	5.2
590.36835	17.5
607.42957	2.1
728.34222	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.4583
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	14.6
55.05506	16.7
57.03437	25.1
57.07071	6.9
59.04984	0.6
61.02927	10.1
61.23981	0.5
65.03934	2.1
66.04704	0.8
67.05502	51.9
69.03072	0.8
69.03423	7.3
69.06722	1.1
69.07067	15.9
69.36648	1.4
69.37056	4.7
71.04982	2.4
73.02918	7.6
73.53170	0.5
77.03894	0.9
78.04709	0.7
79.05492	39.1
80.06261	2.8
81.03413	7.8
81.07056	54.9
82.04185	1.4
82.07363	0.7
82.07833	0.7
83.04981	12.6
83.08616	8.5
84.02106	0.7
85.02900	9.3
85.06535	2.3
87.04452	1.7
91.03947	3.3
91.05476	32.5
92.06244	1.2
93.07041	51.3
94.07837	4.2
95.04967	11.5
95.08604	39.2
96.05742	0.9
97.02880	5.0
97.06525	9.8
97.10169	3.9
98.07346	1.0
99.04454	1.5
99.08085	2.2
101.06004	2.3
103.05451	0.7
105.07030	23.7
106.07804	2.0
107.04973	2.9
107.08592	30.0
108.09378	2.4
109.02902	1.0
109.06483	3.5
109.10159	18.4
110.07313	1.1
111.08097	3.9
111.11736	0.8
113.06030	1.0
113.09679	0.6
115.05494	0.7
115.07549	0.8
116.04710	24.8
117.05490	2.8
117.07020	11.3
118.07770	1.5
119.08577	19.7
120.09332	2.3
121.06494	1.8
121.10143	27.1
122.10909	3.6
123.08083	4.9
123.11705	6.8
125.09627	2.1
127.03877	0.7
127.11128	3.4
128.06155	0.6
129.05475	52.9
129.06857	3.2
130.07828	0.8
131.08563	19.5
132.09338	1.7
133.06522	1.4
133.10120	20.1
134.10884	2.4
135.08054	2.5
135.11690	18.7
136.08813	0.9
136.12456	4.0
137.09615	2.7
137.13242	2.8
139.07547	0.8
139.11116	0.7
143.07037	19.4
143.08553	2.3
145.04999	1.1
145.10115	13.7
146.10901	1.1
147.08122	0.8
147.11681	13.3
148.12482	1.1
149.09610	3.6
149.13260	9.8
150.14055	1.9
151.11226	1.2
151.14842	0.7
155.06955	0.9
155.08517	0.8
157.08614	40.8
157.10071	4.8
158.05791	0.7
159.11681	9.3
161.09567	0.8
161.13277	6.7
162.14059	0.9
163.11139	3.0
163.14807	4.9
164.11975	1.4
165.12762	1.5
169.10091	0.9
171.06569	1.5
171.10167	9.2
171.11678	2.8
173.09557	0.9
173.13249	9.1
174.14055	1.3
175.11235	1.5
175.14888	2.9
177.12692	0.6
177.16389	1.6
181.12282	1.4
183.11694	1.0
184.10983	0.7
185.11728	4.7
185.13284	2.3
187.14841	4.8
189.12769	0.9
189.16368	1.8
191.14398	0.7
193.12323	2.9
199.09753	0.9
199.13313	4.6
199.14874	2.0
200.14069	15.4
201.14816	4.0
201.16432	1.7
203.17905	1.0
209.13385	0.8
210.12529	1.1
211.13220	4.0
213.11163	1.6
213.14694	1.4
213.16490	1.5
217.15793	0.7
223.13268	1.7
227.12756	2.9
229.14333	1.2
231.17424	0.9
233.22664	1.2
239.16310	1.3
241.19553	1.3
242.20233	1.2
243.21095	8.7
247.16997	0.8
255.15714	3.1
259.20575	2.0
260.21359	1.8
261.22141	25.0
267.15897	9.2
273.18546	1.1
275.20081	1.3
277.21719	1.0
279.23257	0.6
283.15518	1.4
284.16180	3.0
285.16931	1.4
287.20166	1.1
304.62555	0.7
315.23059	1.0
316.23911	2.3
317.24673	3.5
330.15463	59.2
331.15665	0.9
333.24631	2.9
335.25793	100.0
336.26141	1.2
344.23151	0.6
347.22638	0.8
350.24615	0.7
351.25208	1.4
365.27115	0.7
376.25900	0.9
380.23944	0.8
417.30438	1.2
421.29733	0.7
435.32330	1.9
453.33386	1.5
460.35745	4.2
478.37006	0.7
487.34189	1.1
509.36023	0.8
515.37189	1.0
516.38318	1.3
526.36133	0.8
527.37317	19.1
528.37463	1.0
544.37762	4.2
545.38348	4.5
590.36835	32.8
591.36902	1.4
608.37732	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.3184
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	0.8
55.72493	0.5
57.03443	0.8
59.52375	0.6
62.84062	0.5
65.03938	1.4
67.05488	1.4
68.92502	0.6
69.03410	0.8
70.06590	0.6
70.27907	1.1
70.28292	1.4
71.04992	1.9
73.02921	0.7
79.05487	1.7
80.05013	1.9
81.03416	3.5
81.07058	1.9
81.19508	0.5
85.02897	2.6
86.09735	0.8
91.05482	1.8
93.05798	1.7
93.07052	2.4
94.06567	4.6
95.04985	1.1
95.07350	0.9
95.76218	0.6
96.08140	2.0
97.02908	1.2
101.93587	0.5
102.80090	0.6
103.05486	1.1
105.07033	1.7
106.06528	1.2
107.04964	1.4
107.07340	0.9
108.04484	1.7
108.08118	8.4
109.02878	1.2
110.09695	3.3
115.05468	0.6
116.04977	0.7
118.06548	1.5
119.04958	1.2
120.04490	2.3
120.08095	6.1
121.06530	1.3
122.06029	5.6
122.09685	2.2
124.07585	1.9
127.03918	1.2
129.05461	0.8
131.04886	0.6
133.06476	0.8
134.06035	2.5
136.07565	8.5
137.05949	2.7
138.05536	1.0
138.09149	5.8
144.04486	1.2
145.02911	0.7
146.06003	7.8
147.04442	2.6
148.07576	4.6
149.05954	0.9
150.09183	2.2
151.07462	0.8
156.08075	0.6
158.09645	0.8
159.09209	0.7
160.03909	2.9
160.07562	0.9
161.05971	0.9
162.05544	1.9
163.03903	4.8
164.07088	1.0
166.08647	5.8
167.07051	3.8
172.03951	5.5
172.07565	1.2
174.05550	2.4
175.07559	0.9
176.07097	1.5
181.04944	1.3
181.08615	0.6
182.09752	0.9
184.09999	0.9
186.05498	1.1
188.07190	0.6
189.05301	0.6
190.04984	6.5
191.07162	0.9
193.08794	0.8
197.10777	1.1
199.12323	1.9
203.06909	0.6
204.06554	1.3
205.08621	0.7
207.06567	1.2
209.10822	1.2
210.09312	0.7
211.08769	0.9
211.12439	1.0
212.09523	1.6
219.10242	0.6
223.08676	0.6
223.12311	0.9
224.09554	0.6
225.10239	5.2
227.11789	11.2
236.09564	1.5
237.10349	3.0
238.11139	1.3
239.11821	2.7
240.12598	0.8
241.09677	0.8
241.13399	0.7
245.12976	0.6
249.10269	2.5
250.10941	1.0
251.11774	2.9
252.12482	0.7
253.09731	3.9
253.13356	1.3
254.08359	0.7
255.11388	2.6
257.13062	0.7
263.08194	1.8
263.11838	1.5
264.09030	1.1
265.09763	2.4
266.07980	0.7
266.10596	1.1
267.11224	4.2
269.12823	3.9
271.10873	2.9
273.12396	1.8
277.09686	1.8
278.10556	0.7
279.11313	6.8
281.13052	1.3
283.10757	1.1
284.11826	0.9
285.12518	1.2
287.05750	0.7
287.13974	0.7
289.09695	0.9
291.11353	0.9
293.12637	0.7
295.10864	1.0
297.12384	3.8
305.09131	0.8
307.10571	2.1
309.12320	1.0
312.15250	0.7
313.12735	1.0
314.13129	0.8
315.13797	1.1
316.14526	0.8
319.10742	0.8
321.11942	1.3
323.10254	1.3
325.11804	3.5
327.13657	1.3
328.10986	1.2
328.14642	1.7
329.11700	1.3
329.15237	1.1
330.12384	1.2
330.16040	1.5
331.16803	0.8
339.13470	1.0
340.14612	1.0
341.11533	0.8
342.12396	3.7
342.16290	1.9
343.13107	3.5
344.13916	1.7
344.17807	0.6
346.15704	0.8
352.14728	0.9
353.14014	0.6
354.16376	1.0
355.13333	1.5
356.14255	3.6
357.11200	0.7
358.15585	4.4
365.11456	0.7
366.16144	1.4
368.13995	1.3
368.18008	1.1
369.14761	1.5
370.15616	3.2
371.16489	0.8
372.17160	1.4
374.14996	0.9
380.14023	1.4
381.14441	1.0
382.11725	1.0
383.12494	0.9
384.13297	1.4
384.17526	1.0
385.13965	1.1
386.14960	2.9
387.15543	1.0
388.16650	1.0
394.15527	1.5
395.16141	1.1
398.15002	9.4
399.15805	4.8
400.16467	3.2
402.14273	1.1
404.16165	1.0
407.15012	0.6
411.15814	0.7
412.16660	1.5
414.18259	2.1
416.15952	2.9
417.16928	2.2
422.15112	1.3
423.13739	0.8
428.16055	1.1
430.17511	0.7
431.18192	1.3
435.17850	0.7
439.15643	0.7
440.16086	2.2
441.16455	0.7
442.17825	1.1
458.17325	2.4
460.18726	1.0
470.16821	1.1
472.18787	0.8
485.17630	0.8
488.18671	0.9
500.18213	0.9
502.20419	1.0
523.23590	0.8
529.18146	0.7
530.19519	0.7
532.21265	0.9
534.22455	1.0
536.18408	0.8
542.19312	0.8
548.20313	1.2
554.18909	1.6
560.20239	5.1
561.20697	1.1
566.19452	1.3
572.20447	1.6
584.20563	2.2
590.21112	2.6
593.24219	2.1
602.21295	6.1
620.22369	1.0
625.36823	0.7
634.24396	0.8
635.23822	0.7
653.25641	0.8
664.25494	1.1
673.26508	1.5
677.25958	0.6
691.27899	1.6
701.27094	0.7
709.28870	2.0
711.29865	4.3
713.27997	6.4
719.27136	2.8
727.29944	4.4
737.28235	6.2
738.27216	0.7
752.28009	0.9
755.29156	100.0
756.29297	5.8
770.29254	2.0
787.31622	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	787.3177
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03944	0.6
67.05499	0.7
69.03435	0.5
70.22888	0.3
70.23190	1.4
71.04990	0.6
79.05496	1.3
80.05026	0.7
81.03425	2.3
81.07068	0.6
85.02917	1.1
91.05484	1.0
93.05795	1.1
93.07044	1.1
94.06558	4.5
94.07108	0.4
95.04980	0.5
95.07353	1.1
95.08623	0.6
96.08112	2.6
97.02921	0.5
103.05494	0.8
105.07008	0.4
106.06561	0.9
107.07365	1.3
107.08601	0.3
108.04478	1.4
108.08122	8.5
109.02911	0.5
109.10185	0.4
110.09671	3.3
111.04438	0.4
116.04991	0.9
118.06509	0.7
120.04471	2.7
120.07255	0.4
120.08101	5.6
121.10166	0.3
122.06026	4.6
122.06863	0.3
122.09650	2.7
124.07572	1.7
126.04882	0.4
127.03905	0.5
130.96039	0.3
132.04512	0.6
132.08112	0.6
134.05998	1.7
135.04472	0.4
136.07571	7.5
136.13354	0.3
137.06012	0.5
137.07945	0.4
137.09732	0.3
138.05502	0.6
138.09134	4.1
140.49969	0.3
144.04469	1.3
144.08156	0.5
146.06000	7.4
146.07089	0.5
147.04413	0.4
148.07578	4.1
148.08678	0.3
150.05495	0.4
150.09134	1.8
152.07062	0.9
156.08075	0.3
160.03969	1.4
160.07616	0.6
162.05542	1.4
163.03961	1.3
164.07129	1.0
166.08614	4.7
167.07178	0.8
172.03922	5.5
172.07625	0.9
174.05489	2.3
174.09271	0.4
176.07059	1.4
182.09724	0.4
183.09152	0.5
184.07530	0.4
184.09988	0.7
186.05522	1.2
186.09215	0.7
190.04987	7.8
192.10161	0.3
195.09271	0.3
196.09920	0.5
197.10837	1.3
198.11555	0.4
199.08759	0.5
199.12274	1.7
204.06589	1.0
206.08218	0.3
206.80222	0.3
209.10793	0.7
210.09244	0.9
210.11430	0.5
211.08778	1.3
211.12315	1.0
212.09506	1.3
213.10313	0.5
215.11833	0.3
221.10817	0.4
223.08698	0.6
223.12289	0.6
224.09494	1.4
225.10201	5.4
225.13763	0.3
226.11067	0.8
227.11781	10.5
227.13925	0.6
229.13435	0.5
233.10838	0.5
235.08707	0.5
235.12491	0.4
236.09445	0.9
237.10147	2.5
238.11021	1.2
239.08153	0.4
239.11790	2.9
240.12640	0.5
241.09843	0.9
241.13448	1.0
245.12813	0.6
246.11201	0.3
249.10201	1.7
250.11044	0.7
251.08202	0.4
251.09456	0.4
251.11772	2.9
252.08885	0.4
253.09755	3.7
253.13550	0.7
254.10492	0.5
255.11328	2.4
257.12909	0.6
261.10342	0.4
263.08289	1.4
263.11392	0.3
264.09012	1.3
265.09647	2.2
266.10651	0.5
267.11243	2.8
269.12836	3.1
271.10883	2.6
271.14169	0.5
273.12299	1.5
277.09674	1.8
278.10547	0.9
279.11261	5.8
279.13992	0.5
281.12888	1.2
283.10861	1.3
285.12341	1.8
286.13629	0.4
287.14108	0.8
289.09787	0.4
291.11469	0.4
293.09158	0.6
293.12781	0.4
295.10864	1.3
297.12274	2.9
299.14005	1.3
300.11569	0.4
302.13113	0.8
302.73566	0.3
305.09293	0.8
307.10776	2.5
309.12427	0.5
311.14432	0.7
313.12582	1.0
314.12973	1.3
314.16351	0.4
315.13977	1.0
316.11176	0.5
316.14603	1.2
317.14978	0.5
318.16125	0.4
319.10916	0.4
321.12329	1.0
323.10242	0.7
325.11841	3.2
326.12930	0.9
326.16565	0.5
327.13608	1.0
328.10843	1.3
328.14566	2.0
329.11661	1.3
329.15405	1.0
330.12341	1.2
330.16153	1.9
331.16870	0.8
332.17825	0.4
335.14108	0.4
337.11929	0.7
338.13177	0.4
339.13705	1.0
340.14514	1.0
341.11765	0.9
341.15384	0.7
342.12439	4.2
342.16095	1.1
343.13101	3.1
343.16675	0.4
344.13904	1.3
344.17563	0.5
346.15561	0.4
352.14639	0.9
352.76361	0.3
353.15433	0.8
354.12424	0.8
354.16095	1.0
355.13321	1.2
355.17258	0.6
356.13940	4.2
356.17569	0.5
357.14774	1.7
358.15500	4.3
360.17212	0.7
366.12143	0.5
366.16217	0.9
367.12885	0.7
368.13907	0.8
369.14618	0.9
370.11661	0.6
370.15564	3.0
371.16177	0.8
372.17157	1.7
378.18372	0.4
380.14120	1.5
381.14642	0.9
382.11798	0.9
382.15939	0.6
383.12784	0.9
384.13419	1.0
384.17508	0.5
385.14294	1.0
386.14865	3.1
386.19104	0.5
387.15668	0.8
388.16583	0.9
394.15585	1.2
395.16534	0.6
397.14148	0.6
398.14929	9.5
399.15808	5.3
400.16592	2.4
402.14609	1.0
404.16080	1.1
410.15073	0.5
411.15411	0.6
412.16208	1.6
413.17297	0.7
414.18341	1.5
416.16003	2.9
417.16592	1.4
418.17636	0.5
423.15598	0.5
425.13333	0.5
428.16135	0.9
429.16095	0.4
430.17673	0.7
431.18228	0.6
440.16025	2.1
441.16785	0.5
442.17960	0.5
446.16830	0.4
447.15576	0.4
454.17404	0.4
458.17194	1.8
459.17917	0.5
460.18756	0.4
470.16983	0.6
472.18576	0.6
482.17102	0.9
486.19940	0.5
488.18182	1.1
500.18243	1.4
514.19952	1.0
516.20526	0.6
518.19287	0.4
523.23163	0.6
530.19476	0.7
532.20984	0.6
533.21790	0.6
534.22388	0.9
538.20105	0.4
542.19415	1.0
548.20184	1.2
551.22894	0.8
554.19318	0.9
556.20929	0.5
558.22437	0.8
560.20276	5.3
566.19635	1.2
572.20526	1.1
574.22107	0.6
575.22760	0.4
584.20007	2.4
590.21594	1.5
592.22876	0.4
593.23926	1.4
602.21320	5.2
611.25391	0.4
620.23010	0.6
653.26233	1.0
667.27173	0.4
673.26434	0.7
683.31097	0.9
685.28497	0.6
691.27759	1.0
695.27966	0.4
701.26062	0.8
709.28424	1.3
711.30200	4.0
713.28198	4.1
719.27051	2.1
727.29523	4.1
737.28192	3.4
755.29150	100.0
756.29279	3.7
787.31342	5.0
787.44702	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	779.4547
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.4
55.05509	1.8
57.03439	1.6
57.07077	0.4
59.04994	0.6
61.02606	0.3
61.02923	5.0
65.03928	0.3
67.05501	4.8
69.03425	2.8
69.07047	1.2
71.01340	0.6
71.04986	1.6
71.60405	0.3
73.02916	3.5
79.05492	4.1
81.03418	3.0
81.07056	7.6
83.01362	0.2
83.04991	0.6
83.08620	0.7
85.02901	5.0
85.06531	0.4
86.09721	0.5
87.04477	0.7
91.03947	3.7
91.05474	3.5
91.06005	0.3
93.07041	4.6
95.04978	1.0
95.08601	3.8
97.02891	4.9
97.06525	0.5
99.04480	0.8
100.67398	0.2
101.02381	1.5
103.03960	0.5
105.07020	1.7
107.04945	0.4
107.08584	2.6
108.10468	0.2
109.02204	0.2
109.02838	1.0
109.06538	0.4
109.10143	1.7
111.08069	0.5
115.03925	0.6
117.07078	0.3
119.04958	0.8
119.08586	1.5
121.10140	2.2
123.11713	0.5
125.00080	0.2
127.03927	1.4
129.05457	0.2
129.07043	0.4
131.08549	1.3
133.10121	1.0
135.11693	1.9
137.13251	1.2
145.05022	0.6
145.10123	0.3
147.04416	2.1
147.11679	1.1
149.09660	1.1
149.13249	0.4
153.12791	0.3
157.10156	0.6
159.11786	0.3
167.10695	0.2
173.61452	0.3
175.11177	0.4
184.07321	1.5
185.04276	0.7
193.12282	0.6
197.15431	0.3
198.34691	0.2
203.05304	0.5
213.09183	0.7
233.11516	0.3
243.08383	3.1
267.15939	0.5
269.24042	0.2
283.15176	6.0
335.25885	0.6
338.70389	0.3
339.17856	0.9
469.20422	0.4
501.23019	8.4
502.23590	0.5
519.29291	8.5
520.29840	0.3
617.40863	0.6
745.07837	0.3
779.45422	100.0
780.45697	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	778.3279
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.2
61.02895	0.1
65.03951	0.1
65.73566	0.1
65.77051	0.1
67.05513	0.1
69.03410	0.2
70.06577	0.1
71.04984	0.2
71.61327	0.1
71.61713	0.1
77.03909	0.1
78.04700	1.0
79.05489	0.8
81.03424	0.6
81.07076	0.4
83.04990	0.1
85.02901	1.1
86.09689	0.1
91.05470	0.5
93.03389	0.1
93.07049	0.3
94.04191	0.1
95.04964	0.6
97.02880	0.5
97.06519	0.1
102.45589	0.1
103.05489	0.4
105.03408	0.1
105.04515	0.1
105.07023	0.7
106.04169	0.5
107.04951	1.2
107.08620	0.1
109.02853	0.3
109.06504	0.2
111.04447	0.1
115.05440	0.4
117.07001	0.2
119.04927	0.3
119.08541	0.1
121.02888	0.1
121.06517	0.7
122.03630	0.4
123.04420	2.8
124.05200	1.5
125.06022	0.2
127.03913	0.2
129.07011	0.1
131.04889	0.4
131.08574	0.1
133.06487	0.9
134.03627	0.2
135.04442	0.3
137.05972	10.3
138.06303	0.3
139.07555	0.1
143.04878	0.1
143.06009	0.1
145.02814	0.1
145.04889	0.1
145.06480	0.3
147.04437	0.3
147.08018	0.1
149.05945	0.7
151.03899	0.7
151.07452	0.2
152.04651	1.1
153.05524	0.1
155.06981	0.1
157.06490	0.2
159.08086	0.1
160.05153	0.2
161.06004	0.8
162.07680	0.1
163.03951	0.6
163.07518	0.6
165.05568	0.1
166.06262	0.3
167.07031	100.0
168.07361	1.2
173.05960	0.5
174.06729	0.1
175.07529	0.9
177.05576	0.1
179.07056	0.5
180.08710	0.1
181.04990	0.1
181.08595	2.0
187.07562	0.3
189.09056	0.2
190.06216	0.2
191.06972	0.2
193.08591	4.9
203.06969	0.1
205.08609	1.0
209.08096	0.2
211.09645	14.3
212.10045	0.2
217.08606	0.5
219.10277	0.2
224.07541	0.1
229.38376	0.1
235.09673	0.5
239.09093	0.1
247.09656	0.2
259.09735	0.1
265.10776	0.6
277.08304	0.1
293.11581	0.1
295.12122	0.1
300.10107	0.1
301.10507	0.1
321.11243	0.1
326.11295	0.1
337.12967	0.1
339.12387	0.1
340.12573	0.1
341.13821	0.3
353.13672	0.3
371.14795	1.0
387.14505	0.1
388.14554	0.1
401.15964	0.1
493.05554	0.1
581.23547	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.4184
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	1.2
57.03433	1.7
61.02921	4.9
61.69162	0.5
65.03938	0.6
67.05493	3.8
69.03085	0.5
69.03417	3.0
69.07082	1.1
70.06593	1.1
70.15295	1.9
71.04972	1.5
73.02912	4.4
75.21529	0.5
79.05491	4.4
81.03418	2.9
81.07058	5.6
82.73901	0.5
83.04980	1.2
83.08615	1.3
85.02895	5.9
85.06545	0.6
86.09702	1.3
87.04452	0.8
91.03944	2.4
91.05476	5.0
93.07029	4.8
95.04973	1.5
95.08609	2.2
97.02891	3.9
97.06519	0.9
98.21449	0.7
99.04477	0.6
101.02354	1.0
105.07016	3.9
107.04967	0.9
107.08571	2.3
109.02868	0.9
109.10160	0.8
117.07010	2.0
119.08554	2.9
121.10115	1.0
127.03932	1.1
129.06969	1.1
131.08580	2.2
133.10158	1.7
135.11745	1.1
137.13251	1.1
143.08562	0.9
145.10139	1.1
147.04478	1.0
147.11687	1.4
149.09666	0.6
149.19243	0.5
157.10083	1.1
159.11719	0.5
163.03915	1.4
173.13271	0.6
175.11270	0.7
181.09744	0.5
193.12283	1.1
203.05237	0.7
203.14189	0.6
238.61771	0.5
243.08510	2.2
251.12576	1.6
307.15298	0.5
333.20389	2.7
363.43970	0.5
389.23199	0.9
463.23022	0.7
465.20953	4.8
469.20380	8.1
545.33868	0.5
551.28290	7.9
553.23718	0.5
693.34351	1.5
779.41791	100.0
780.42194	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.3112
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	0.5
57.03424	0.6
57.07071	0.4
61.02913	0.5
63.02395	0.2
65.03934	0.2
67.05496	1.6
68.99783	0.2
69.03439	1.3
69.07067	0.7
71.01336	0.3
71.04974	0.4
71.08615	0.2
71.58599	0.3
73.02908	0.5
79.05492	2.4
81.03429	1.4
81.07054	32.9
82.07372	0.6
83.08642	0.3
84.86820	0.2
85.02900	1.7
87.54478	0.2
89.03905	3.3
91.03952	0.3
91.05486	0.9
93.07040	0.8
95.04962	0.6
95.08603	4.1
97.02888	2.8
99.04475	0.3
105.07012	0.6
107.04954	1.6
107.08595	0.7
109.02872	0.6
109.10148	0.6
115.05502	0.2
117.03374	4.4
119.04935	0.6
119.08598	0.5
123.04432	1.0
127.03917	0.5
129.40778	0.2
131.04953	0.2
131.08592	0.2
133.10150	0.3
135.04411	12.7
135.11722	0.4
137.13251	20.8
138.13591	0.4
143.04935	2.2
145.02843	9.3
147.04410	2.8
151.03908	0.4
155.04933	0.9
158.06079	0.3
161.05956	0.3
163.03897	100.0
164.04285	1.4
165.07069	0.2
177.05484	0.3
179.08600	0.2
181.04924	1.4
186.05521	1.0
193.06544	0.5
207.08061	0.6
211.07564	0.3
217.06619	0.2
235.07599	0.8
237.05408	1.0
238.06253	1.5
243.08534	0.4
244.03719	0.3
244.50232	0.2
263.07025	4.5
265.07004	0.2
266.05743	0.4
267.15872	0.3
281.08069	4.3
282.08286	0.2
299.09122	12.8
300.09616	0.3
307.08228	1.0
317.10187	0.7
325.09161	10.5
341.10336	0.2
407.11432	0.2
416.22681	0.2
425.12289	0.3
443.13608	0.5
461.12906	0.3
467.18845	0.3
469.20435	1.1
544.37250	0.2
549.26581	0.4
616.57172	0.2
623.17578	0.7
777.40344	13.6
778.40692	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.3108
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	0.4
57.03423	0.4
57.07047	0.4
60.32580	0.2
63.51213	0.3
67.05506	1.9
69.03427	2.0
69.07054	1.1
69.54474	0.5
69.54876	1.7
70.06589	15.5
70.77805	0.3
71.06910	0.7
74.06053	0.3
79.05498	2.2
81.03414	0.8
81.07053	35.4
82.03710	0.3
82.07365	0.3
85.02887	1.0
86.09701	9.1
87.10016	0.5
89.03912	3.3
91.05474	0.5
91.67216	0.2
93.07054	0.3
95.04939	0.4
95.08611	4.2
97.02893	3.7
99.04458	0.4
101.02351	0.3
104.49123	0.3
107.04964	1.4
107.08579	0.5
109.02871	0.7
109.10146	0.6
113.09953	0.3
116.07101	1.9
117.03368	4.3
119.04922	0.3
123.04415	1.4
127.03909	0.3
131.04936	0.3
135.04411	12.9
135.11691	0.4
137.13249	21.9
138.13614	0.3
143.04924	2.3
145.02841	9.4
147.04387	1.3
151.03873	0.5
155.04909	1.1
155.08199	0.4
161.05954	0.3
163.03897	100.0
164.04198	2.1
165.06964	0.5
171.11311	1.5
179.08488	0.3
181.04958	1.5
181.09721	4.9
182.10043	0.4
183.08066	0.3
183.14944	0.6
186.05508	0.6
193.06502	0.4
199.10718	1.4
207.08041	0.9
211.14430	1.1
235.07571	0.6
237.00690	0.5
237.05466	1.0
238.06270	1.8
253.08575	0.3
263.07040	6.1
281.08090	5.6
281.75552	0.3
284.19742	0.3
294.18094	1.6
296.19763	0.3
299.09122	16.0
300.09366	0.5
307.08011	0.8
312.19135	0.8
317.10040	0.5
325.09167	9.8
342.07544	0.3
425.12259	0.5
430.45865	0.3
443.13480	0.5
492.28049	0.4
605.36505	0.6
623.17456	0.6
623.37628	0.6
764.41718	0.3
777.39795	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	776.4786
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	4.2
55.05511	39.5
57.03435	15.1
57.07071	2.5
59.05010	3.6
61.02647	0.7
61.02914	3.4
65.03939	2.7
67.05503	100.0
68.05830	0.8
69.03420	3.3
69.07066	16.7
71.01363	0.9
71.04995	4.5
71.08615	0.9
73.02912	1.3
79.05490	43.1
80.05817	1.1
81.03419	5.2
81.07053	60.8
83.04991	4.3
83.08614	14.8
85.02905	13.6
85.06541	3.7
87.04463	6.6
87.79022	0.6
91.03954	0.8
91.05477	24.3
93.07041	40.3
95.04971	6.2
95.08606	42.3
97.02367	0.8
97.02876	4.0
97.06511	4.1
97.10166	20.1
99.04461	1.2
99.08118	1.1
103.03934	1.5
105.07023	15.0
105.07664	1.1
107.04975	2.2
107.08591	31.8
109.02879	1.1
109.06546	2.1
109.10153	55.3
111.04439	0.7
111.08081	3.2
111.11748	1.0
117.06990	6.5
119.08577	13.7
119.09348	1.2
121.06564	1.4
121.10144	18.5
123.08094	1.8
123.11726	5.4
125.09628	19.0
129.07014	2.6
131.08557	9.9
131.09492	0.7
132.16251	0.7
133.10123	8.4
133.10910	0.7
135.08040	1.0
135.11693	13.6
137.09648	2.5
137.13292	2.5
139.11217	1.6
143.08598	1.6
143.10649	3.1
145.06517	0.9
145.10118	10.4
147.04431	2.2
147.08063	1.1
147.11655	6.9
149.09633	2.3
149.13246	6.5
151.11214	1.6
151.14847	0.7
153.12756	1.8
154.04613	0.7
155.08574	1.2
155.10701	1.9
157.10152	1.8
159.10439	1.0
159.11748	4.6
161.13219	4.1
163.11156	3.5
163.14864	2.3
165.12796	1.4
169.10229	0.9
171.11778	2.2
173.09613	1.0
173.10086	0.8
173.11787	15.4
173.13316	4.5
175.14899	2.2
177.16461	1.1
181.12267	1.3
184.07397	1.4
185.13264	1.6
187.14877	2.3
189.11320	0.9
191.10800	1.1
193.12340	2.2
199.13284	10.0
209.11777	3.0
210.79066	0.6
211.13429	1.5
217.14357	1.5
218.78760	0.7
227.12796	6.6
229.14340	44.6
230.14662	0.9
243.21199	2.8
245.14006	2.7
259.20724	1.6
261.22119	12.7
267.15857	3.6
277.21738	1.1
283.15469	1.7
289.21689	1.3
299.14664	0.7
299.23843	1.0
301.16452	14.8
303.23547	0.7
315.23123	1.6
317.24899	2.5
327.23209	1.1
333.24350	1.5
335.25800	70.3
336.26428	2.1
345.24173	1.0
351.26059	0.7
363.25113	3.1
376.84293	0.7
401.27335	0.8
451.32791	0.9
459.34860	2.0
463.22897	0.8
477.35880	9.4
478.36292	0.9
489.35733	16.0
495.48062	1.0
507.36444	0.8
525.35730	1.0
543.37122	3.0
561.37958	6.7
579.38898	1.6
601.08252	0.7
667.89337	0.7
723.43170	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	776.478
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	5.2
55.05510	49.3
57.03186	1.2
57.03439	16.9
57.07071	2.5
59.04994	4.1
61.02922	2.7
65.03932	4.0
67.05503	100.0
69.03417	3.4
69.07072	18.0
71.01334	1.0
71.04984	4.6
72.42426	1.1
79.05491	46.9
81.03418	6.4
81.07055	63.6
83.04986	7.8
83.08623	17.5
85.02904	15.2
85.06519	4.8
87.04458	6.1
91.05478	28.8
92.55673	1.0
93.07042	47.2
95.04971	7.9
95.08602	44.4
97.02892	4.3
97.06504	4.9
97.10166	23.9
99.08111	1.5
105.07026	17.3
107.04945	2.9
107.07867	1.8
107.08591	32.4
109.06522	3.5
109.10158	51.4
111.04472	1.4
111.08087	4.0
117.07040	5.0
119.04937	1.1
119.08591	16.2
121.10146	21.0
121.15709	1.0
123.08074	2.0
123.11721	6.1
124.93945	1.3
125.09629	20.1
129.05499	1.3
129.07004	1.5
131.08554	12.8
133.00900	0.9
133.10144	10.9
135.08061	1.4
135.11696	15.3
137.09631	3.6
137.13240	3.2
139.11119	1.9
143.08647	1.3
143.10663	4.1
145.10112	9.6
147.04433	3.5
147.08003	1.3
147.11684	8.6
149.09633	2.8
149.13232	6.6
151.11177	2.2
153.12727	2.4
155.10667	1.7
157.10092	2.2
159.11650	6.8
161.13252	4.0
163.11226	6.1
163.14842	2.8
167.10753	1.0
169.10155	0.9
171.11670	1.7
173.09596	1.2
173.10338	1.2
173.11746	11.6
173.13261	5.4
175.14827	3.1
181.12196	2.8
185.13148	1.4
187.14812	2.4
189.11220	2.0
189.82309	1.0
191.10713	2.2
193.12231	3.0
199.13307	9.2
203.12733	1.6
209.11700	2.4
211.13193	1.3
217.14337	2.1
227.12724	9.4
229.12074	2.0
229.14331	41.0
243.21068	4.2
245.13850	4.4
257.14032	1.3
259.20569	3.0
261.22128	13.1
262.45248	1.1
267.16061	5.5
277.21579	2.0
283.15387	2.2
285.17041	2.0
289.21686	2.7
301.16437	20.1
315.23096	3.2
317.24802	2.5
319.17676	1.7
327.23193	1.5
333.24060	1.9
335.25793	75.9
336.26181	2.0
363.25281	2.7
389.27032	1.3
451.32010	2.8
459.34686	2.1
477.35706	13.3
489.35757	17.1
525.35156	1.3
543.36530	5.4
561.37933	10.2
579.38916	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	776.4787
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	4.0
55.05510	42.7
57.03434	18.4
57.07077	2.7
59.05001	4.3
61.02924	4.1
65.03933	3.7
67.05502	100.0
68.05842	1.0
69.03436	3.3
69.07066	18.5
69.07443	1.0
71.01357	1.6
71.04984	4.9
71.58466	0.8
73.02916	1.8
77.03902	0.8
79.05491	47.8
81.03411	5.5
81.07054	62.2
83.04989	5.9
83.08616	18.7
83.09115	1.1
85.02366	0.6
85.02903	16.9
85.06520	3.0
87.04462	5.6
91.03967	1.8
91.05476	27.8
93.07042	45.0
94.07376	0.7
95.04967	7.6
95.08604	44.0
96.08957	1.1
97.02884	4.1
97.06544	4.2
97.10167	21.5
99.04436	0.6
99.08075	1.5
100.83421	0.5
101.06047	0.7
103.03938	1.0
103.05441	0.6
105.04494	0.8
105.07030	14.7
107.04963	2.2
107.08591	31.1
109.02893	0.6
109.06509	3.1
109.10152	60.4
110.10518	1.0
111.04505	0.7
111.08073	4.0
111.11714	0.9
113.09646	0.6
115.05399	0.9
117.07021	6.6
119.04915	0.6
119.08575	16.4
119.25294	0.6
121.06499	1.2
121.10139	18.4
123.08069	2.6
123.11723	5.7
125.09624	21.0
127.03977	0.7
127.11218	0.6
128.06209	0.7
129.06993	3.1
130.07852	0.8
131.08562	11.0
133.10121	11.6
135.08131	0.6
135.11690	11.5
136.11980	0.7
137.09622	2.9
137.13251	1.2
139.11172	2.1
141.09149	0.5
143.08551	1.0
143.10641	4.1
145.10114	9.4
147.04416	1.5
147.08095	0.7
147.11682	6.7
149.09586	2.0
149.13235	4.5
151.11153	0.7
153.12680	1.3
155.08553	0.6
155.10654	3.5
157.10132	2.0
159.11687	6.3
161.13258	5.3
163.11195	3.9
163.14783	2.6
165.12785	0.6
169.10252	0.7
171.11696	1.8
173.10149	0.9
173.11743	16.0
173.13268	5.5
175.11226	1.0
175.14809	1.5
177.12778	0.9
177.16457	1.1
181.12280	1.4
183.11661	0.8
184.07341	1.7
185.13177	1.2
187.14853	2.2
189.11214	1.4
189.16406	0.6
191.10728	0.8
191.14391	0.5
193.12267	2.6
195.13808	0.6
197.13295	0.6
199.13274	11.3
199.14725	0.8
201.16422	1.0
208.96698	0.5
209.11760	2.3
211.13177	0.9
217.14365	1.7
219.17577	0.7
227.12723	6.8
229.14339	53.1
230.14746	0.8
239.35353	0.5
241.19565	0.8
241.27109	0.5
243.21053	5.3
245.13820	2.4
257.13736	1.1
259.20569	2.1
261.22141	16.9
267.15866	4.7
269.09821	0.5
271.20667	0.6
277.21756	1.3
283.15411	1.4
289.21716	1.5
291.23044	0.5
297.22012	0.8
299.23669	0.8
301.16418	15.7
301.21603	0.9
309.22137	0.6
315.23166	1.8
317.24731	3.0
327.23279	1.0
333.24149	1.4
335.25797	73.3
336.26093	3.3
351.25131	1.0
363.25226	1.9
401.26627	0.6
417.99448	0.5
433.30725	0.9
448.38281	0.5
451.32034	1.1
459.34857	1.7
469.33276	0.9
477.35733	11.3
478.35883	0.7
487.34393	0.7
489.35748	17.0
490.35776	1.0
507.36252	0.7
517.35040	0.9
543.36707	3.6
561.37885	7.6
579.39301	2.4
690.35638	0.6
776.44012	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	776.4783
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	5.8
55.02125	1.4
55.05268	3.0
55.05512	47.4
57.03439	16.2
57.07070	5.1
59.04989	4.5
61.02908	3.5
65.03922	3.3
67.05503	100.0
69.03408	6.7
69.07068	20.1
69.59776	10.1
71.04982	7.4
79.05492	48.4
81.03423	7.8
81.06582	3.7
81.07055	75.8
82.57386	1.7
83.04987	7.8
83.08620	15.1
85.02904	17.0
85.06551	3.9
87.04469	8.7
91.05479	32.1
93.07044	46.9
95.04960	7.3
95.08601	44.2
97.02875	5.2
97.06518	7.3
97.10165	24.0
99.08068	2.4
105.07021	18.7
107.04928	1.9
107.08595	36.7
109.06506	3.4
109.10159	53.7
109.10909	2.9
111.08086	3.0
111.11808	1.9
117.07017	9.9
119.04930	1.7
119.08581	19.3
121.10137	24.0
123.08063	1.8
123.11684	6.8
125.09619	26.8
129.06999	3.0
131.08588	12.6
133.10106	12.0
135.11693	17.1
137.09589	4.7
137.13223	4.6
139.11140	3.3
143.10635	2.7
145.10100	9.1
147.04428	3.9
147.11694	9.3
149.13234	7.5
155.08591	1.7
157.10121	3.4
159.11690	6.8
161.13245	5.1
163.11214	5.6
163.14729	3.7
171.11620	4.6
173.09497	2.0
173.11740	12.9
173.13257	5.3
175.14938	2.1
184.07343	2.5
185.13324	2.1
187.14835	2.8
190.45100	1.7
191.10783	2.1
193.12209	4.6
199.13326	12.7
201.16426	2.3
209.11725	4.3
211.13232	3.1
217.14394	2.2
227.12791	9.9
229.10272	1.8
229.14331	42.2
243.21022	5.5
245.13853	3.2
259.20605	4.3
261.22092	13.6
267.15875	4.7
283.15338	3.2
299.23724	1.9
301.16467	23.7
315.27829	1.6
319.17499	3.1
335.25809	86.5
336.26050	3.1
351.25232	1.9
363.25348	3.6
377.26666	1.7
469.33212	2.2
477.35764	17.6
489.35629	19.5
543.36707	7.0
561.37671	15.3
579.38647	8.8
662.98950	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.4994
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	3.8
55.05266	1.3
55.05510	19.5
57.03436	20.9
57.07055	2.5
59.04994	1.1
60.62872	0.7
65.03926	2.2
67.05502	59.7
68.05833	0.7
69.03413	2.9
69.06724	1.1
69.07069	14.9
69.52229	6.2
71.04977	5.3
77.42253	0.7
79.05493	37.9
80.99770	0.6
81.03417	84.7
81.07056	62.4
83.04975	6.0
83.08614	23.2
85.02885	2.0
85.06532	3.1
91.05479	34.3
93.07042	49.3
94.07360	1.2
95.04357	1.6
95.04966	31.4
95.08602	47.6
96.37246	0.8
97.02870	2.7
97.06507	4.0
97.10177	9.1
99.08059	0.9
104.78578	0.7
105.07030	26.1
106.07352	0.8
107.04958	6.6
107.08589	27.7
109.06525	5.5
109.10155	21.8
111.04445	1.8
111.08074	7.0
113.06027	1.1
115.05456	0.9
116.06287	0.6
117.07020	7.8
119.04903	1.0
119.08580	24.7
121.06495	4.4
121.10140	24.9
123.04455	1.4
123.08051	3.1
123.11690	8.6
125.09595	4.7
128.06219	0.9
129.07008	10.1
131.08571	19.8
133.06480	3.2
133.10136	12.6
135.08078	1.1
135.11694	15.3
137.09604	2.8
137.13234	2.7
142.07767	2.4
143.08559	1.8
145.06512	0.8
145.10123	11.2
147.08051	3.0
147.11681	12.7
149.09610	5.7
149.13228	7.5
151.11104	1.1
155.08554	1.3
157.10114	12.6
159.11691	8.5
161.13239	5.6
163.11160	2.8
163.14822	4.2
165.12770	2.5
169.10117	0.9
171.10266	0.9
171.11646	1.9
173.13240	6.7
175.11205	9.1
175.14793	2.2
177.12679	1.4
177.16399	1.6
181.10123	0.8
183.11716	0.9
184.07420	0.8
185.13249	2.1
187.14870	4.4
189.11095	3.6
189.16400	1.0
191.17801	0.8
193.12247	22.6
195.13919	0.8
199.14828	1.0
201.16394	1.5
207.13708	0.8
211.13274	2.6
213.16374	1.0
227.12784	6.7
231.13829	0.9
235.13306	1.5
237.00060	0.8
243.21031	5.7
247.16951	1.2
249.14743	2.1
259.13397	0.9
259.20505	1.0
261.22137	20.0
265.14493	1.0
267.15909	100.0
268.16229	2.6
273.14719	1.5
279.23157	2.1
283.24228	1.0
285.22070	1.6
301.14307	1.7
301.25247	8.1
302.98557	0.9
303.23090	0.9
309.17084	2.5
317.24762	3.6
335.25787	99.0
336.26175	4.3
373.27402	1.0
417.26508	1.5
417.31787	1.0
419.27884	0.8
421.25735	2.8
435.27286	2.4
435.32626	4.4
449.29074	1.6
453.33572	8.7
466.46085	0.7
471.34918	3.8
509.36194	2.0
527.37335	75.1
528.37665	5.3
545.38379	62.9
546.38672	4.7
559.40009	3.2
569.38525	6.3
577.40747	1.3
623.39331	1.9
635.39386	1.7
653.40118	1.6
671.41370	1.5
795.78296	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.4609
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	7.2
55.05513	34.9
57.03183	3.5
57.03440	39.6
57.66931	2.7
61.02918	7.7
63.12586	2.7
67.05500	69.3
69.03416	7.8
69.07064	20.5
69.55305	24.3
69.74918	2.7
71.04982	13.6
74.09750	3.0
77.59133	2.8
79.05058	4.7
79.05494	71.0
81.02923	3.5
81.03416	76.3
81.07061	83.0
81.97070	2.8
83.04966	19.1
83.08621	34.1
84.18304	3.1
85.02902	28.1
85.06536	6.2
89.03926	3.2
91.03944	3.9
91.05481	100.0
93.07040	74.8
95.04967	41.9
95.08613	50.8
95.09174	5.6
97.02876	13.5
97.06525	9.7
97.10163	12.8
99.04478	3.2
99.08080	9.0
105.07030	82.3
107.04942	11.0
107.08587	48.7
109.06504	13.1
109.10131	16.3
111.08059	12.6
113.06012	5.4
115.05422	5.0
117.07013	44.9
119.08578	63.6
121.06493	5.5
121.10148	23.4
123.08064	8.7
123.11703	4.3
125.09597	5.8
127.03889	4.8
128.06192	4.7
129.05470	5.6
129.07016	35.3
131.08583	55.3
133.06512	5.5
133.10126	49.9
135.08044	4.7
135.11699	10.2
137.09598	4.6
137.13243	4.2
141.07014	8.3
142.07793	7.6
143.08560	25.5
144.09232	3.6
145.06497	5.5
145.10104	53.1
147.04388	9.8
147.08095	6.8
147.11676	37.4
149.09612	16.0
151.11221	4.0
153.12711	3.1
155.08577	9.1
155.81047	2.9
157.10124	38.1
159.11674	47.0
161.09630	3.4
161.13248	7.6
163.03899	10.1
163.11189	10.3
165.12735	4.8
167.08467	3.4
169.10153	13.2
171.11659	14.1
173.13266	18.2
175.11191	22.9
175.14803	7.2
177.12749	3.7
183.11697	13.5
184.07436	3.3
185.13248	39.8
187.11057	3.2
193.12239	48.8
197.13246	7.4
199.14708	3.5
203.14299	15.4
211.13260	60.3
217.15894	3.2
219.17511	7.3
227.12766	10.7
229.19489	7.7
239.17993	18.4
257.19012	57.5
267.15912	23.7
275.20078	47.3
276.20682	3.8
279.27695	3.3
285.16919	72.4
294.09283	2.8
331.22739	17.7
349.23721	55.0
361.08237	3.9
431.29550	3.1
434.58267	2.9
449.30499	5.6
467.31616	4.0
487.30658	6.5
489.31781	5.7
523.34296	6.8
541.35284	40.1
542.35999	6.1
559.36310	71.9
560.36688	6.1
641.30914	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	774.4621
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	9.4
55.05511	26.6
57.03432	22.8
61.02910	5.1
64.14352	1.6
65.03929	3.8
67.05502	72.4
67.33989	1.7
69.03418	11.5
69.07064	26.4
69.85876	1.7
70.97227	3.3
70.97536	1.9
71.01360	2.1
71.04996	14.2
73.02889	3.2
73.06564	1.8
79.05487	58.5
81.03416	68.0
81.07051	92.9
83.04976	23.9
83.08621	33.3
85.02413	2.9
85.02904	28.9
85.06542	5.5
88.08321	1.8
91.05475	69.8
93.07041	61.5
93.07630	3.5
95.04958	34.8
95.08041	3.0
95.08607	35.3
97.02866	6.9
97.06535	16.7
97.10158	8.2
99.04424	2.4
99.08099	2.8
105.07020	48.8
107.04942	13.6
107.08588	38.0
109.06511	7.2
109.10139	14.2
111.08077	13.2
112.53399	1.6
113.05919	2.4
115.05406	2.2
117.07012	13.6
119.08578	40.1
121.06514	6.4
121.10143	18.5
123.08092	6.3
123.11707	4.5
125.09631	6.1
127.03919	3.2
127.07607	2.1
128.06215	2.5
128.40869	1.5
129.05516	2.1
129.06982	13.1
131.08556	31.6
133.06483	3.4
133.10120	31.5
135.08080	3.5
135.11678	20.3
137.09618	5.1
139.11197	2.6
141.06955	2.7
142.07712	3.8
143.08569	5.1
145.10110	17.4
147.04411	6.3
147.08035	5.0
147.11696	27.6
149.09650	17.0
149.13239	14.8
151.11186	3.8
155.08641	2.2
157.06522	1.7
157.10123	19.2
159.11699	12.6
161.09654	2.5
161.13243	4.8
163.03888	2.9
163.11166	11.4
165.12746	3.2
167.14328	2.3
169.10135	4.1
171.11687	3.1
173.04465	2.6
173.11708	2.0
173.13232	3.4
175.11166	16.7
177.12793	3.9
183.11682	2.2
185.13277	2.4
189.11220	4.1
191.14337	1.6
193.12225	49.0
195.13791	5.0
197.13229	2.2
201.16451	1.5
211.13269	69.8
227.12784	4.1
229.14316	4.7
239.17921	2.8
247.20494	1.8
249.15053	2.3
253.14131	2.2
255.15892	16.2
257.19016	5.6
267.15906	32.4
269.17462	40.8
275.20013	25.8
285.16949	71.2
286.17365	1.9
293.21143	3.0
320.50732	1.7
331.22668	3.8
349.23669	23.7
367.24658	4.9
385.70117	1.9
413.21741	3.6
421.26178	2.6
439.26968	5.6
443.27673	3.3
447.27463	12.5
461.28961	39.8
462.29547	2.0
465.28580	21.4
467.31573	2.7
479.30002	100.0
480.30115	6.3
508.67496	2.1
541.35138	12.7
559.36279	34.0
560.35516	2.0
577.37042	7.6
623.33954	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	774.4633
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	10.6
55.05506	35.8
57.03439	20.0
59.45778	2.4
61.02935	3.6
63.33295	2.7
65.03934	3.6
67.05502	75.3
67.76070	3.3
69.03410	16.9
69.07066	34.3
69.48431	19.0
69.48844	7.2
71.04995	12.5
73.99809	2.6
79.05490	74.3
81.03419	76.6
81.07057	100.0
83.04980	24.8
83.08626	42.1
85.02907	37.6
85.06534	7.4
86.82072	3.2
91.05479	78.9
93.07039	61.2
95.04967	34.8
95.08607	38.0
97.02893	13.2
97.06501	21.6
97.10175	15.4
99.08092	5.1
105.07024	65.9
107.04941	20.2
107.08602	48.7
109.06523	14.7
109.10172	12.7
111.04414	6.2
111.08079	19.7
113.06014	4.0
115.05435	3.4
117.07008	19.0
119.04922	3.4
119.08591	42.8
120.29417	2.6
121.06508	8.1
121.10134	25.3
123.08086	7.7
123.11710	4.1
125.09600	14.2
127.03961	3.7
129.06981	18.3
131.08559	35.6
133.06511	4.7
133.10133	36.4
134.39790	3.1
135.07997	4.1
135.11676	14.6
137.09610	5.1
141.07074	2.9
142.07799	3.7
143.08575	3.1
145.10104	17.0
147.04398	8.0
147.08060	5.2
147.11687	30.9
149.09622	22.1
149.13281	10.5
151.11162	2.9
155.08607	2.6
157.10129	18.8
159.11661	14.4
161.09634	2.8
161.13243	5.8
163.03926	9.4
163.11220	12.2
165.12712	3.0
169.10153	3.3
171.11719	4.7
173.13191	5.9
174.87093	2.8
175.11172	20.8
177.12769	6.0
179.14352	3.4
184.07336	11.6
189.11226	9.7
189.12778	3.1
193.12250	62.2
195.13734	3.9
211.13301	79.8
211.15262	4.7
227.12802	15.6
229.14331	3.8
239.18140	4.9
249.14842	3.2
255.16008	11.1
257.18997	11.4
267.15915	41.1
269.17447	20.7
275.20041	50.6
285.16943	92.5
293.21140	3.3
349.23807	41.8
355.16977	3.1
367.24414	3.8
437.24969	3.6
439.26926	8.3
447.27411	12.6
455.26245	6.2
461.29092	28.1
463.30460	3.4
465.28571	16.3
479.30118	77.3
500.65237	3.4
541.35211	21.4
559.27716	2.0
559.36261	56.0
577.37280	11.0
623.34564	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	773.5195
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	3.8
55.05514	26.5
55.44738	1.4
57.03434	14.5
57.07067	4.3
61.02929	14.4
65.03932	6.7
67.05503	83.5
69.03423	8.7
69.06721	2.0
69.07069	25.6
69.33026	1.5
70.51900	5.9
71.01328	1.5
71.04984	5.2
73.02903	6.1
76.45793	1.6
77.03881	2.2
79.05493	70.7
79.05952	3.5
81.03403	5.8
81.07055	78.2
83.04974	3.3
83.08627	16.8
85.02898	15.4
85.06523	3.0
91.03955	4.8
91.05476	67.8
93.07040	77.1
95.04977	10.0
95.08603	65.2
97.02889	11.1
97.06503	5.8
97.10160	5.6
98.20792	1.8
98.87090	1.5
99.08098	1.9
103.05470	2.1
105.04532	2.0
105.07027	65.3
107.07864	2.3
107.08591	45.8
109.06503	5.9
109.10141	24.8
111.08081	3.8
115.05459	2.0
117.07015	23.5
119.08582	55.2
121.06488	3.8
121.09312	2.6
121.10135	32.4
123.08104	1.8
123.11707	7.6
125.09577	2.6
127.03871	2.5
128.06235	3.8
129.07004	16.6
131.08563	36.1
133.06511	2.6
133.10132	41.7
135.08023	3.1
135.11679	26.3
137.09550	2.2
137.13263	3.1
141.06989	4.6
142.07695	2.0
143.08551	20.0
145.10118	34.2
147.08038	1.8
147.11693	30.5
149.09593	2.4
149.13260	13.9
155.08548	9.5
157.10141	19.3
159.08157	1.9
159.11693	29.1
161.05734	1.6
161.09550	2.2
161.13261	25.1
163.11215	1.8
163.14816	5.5
165.07014	2.7
165.12694	2.3
167.08540	4.4
169.10089	11.1
171.08080	1.8
171.11702	19.0
173.13260	20.9
175.11203	1.7
175.14890	9.3
177.12756	2.8
181.10172	4.4
183.11653	9.3
185.13269	16.6
187.14809	9.3
189.12775	2.3
195.11682	5.3
197.13284	6.5
199.14810	10.6
201.16368	3.6
203.17856	1.8
209.13287	4.3
211.11275	1.9
211.14851	4.6
213.16394	5.4
215.17905	3.2
225.16335	3.4
227.17853	2.7
229.19492	2.0
231.21089	6.6
239.18019	3.7
241.19513	26.1
243.20898	2.8
249.26158	1.4
257.19009	8.0
259.20572	53.5
261.22272	8.3
271.20398	2.4
275.19980	2.6
277.21536	2.3
279.21268	1.6
285.22195	2.2
301.21616	3.4
312.18829	2.0
313.21637	2.0
315.23160	5.6
325.21545	2.2
333.24231	31.3
335.25793	56.0
335.29886	2.7
337.27603	2.1
343.22659	1.9
349.21887	2.1
367.22559	3.5
375.25458	2.0
385.23648	2.9
403.24402	2.7
459.27441	1.7
519.42029	6.0
537.42853	2.7
553.63159	1.7
555.39465	1.7
593.45819	8.2
609.45001	4.5
611.46692	100.0
612.46637	5.6
631.79327	2.1
635.45929	5.0
701.47528	5.3
719.48547	4.0
729.39417	1.9
737.49292	6.1
744.50031	1.9
755.50610	3.4
773.52264	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	772.4474
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	9.7
55.05511	32.0
57.03451	12.1
61.02909	2.2
65.03935	3.2
67.05502	44.2
69.03432	10.7
69.06714	2.8
69.07065	31.4
71.01361	2.4
71.04987	8.7
73.02893	1.7
74.23506	1.4
74.64507	1.5
79.05490	43.1
80.05791	2.0
81.03419	44.6
81.07056	53.6
82.07399	2.1
83.04977	16.3
83.08617	28.3
85.02898	22.7
85.06534	3.5
91.05479	40.1
93.07044	40.6
95.04971	25.3
95.08604	21.4
97.02903	11.5
97.06535	8.4
97.10177	14.0
98.21599	3.9
99.04454	2.8
103.05414	2.0
105.07035	29.7
107.04942	13.6
107.08595	24.0
109.06519	9.2
109.10160	11.7
111.04426	3.2
111.08099	11.3
115.05460	1.6
117.07020	10.7
119.04917	3.5
119.08575	25.0
121.06518	6.1
121.10156	15.1
123.08067	6.8
123.11684	2.6
125.09633	12.5
127.03970	2.9
129.07001	10.6
131.08578	16.8
133.06487	4.0
133.10132	16.2
135.08047	3.2
135.11674	7.3
137.09608	4.6
142.07721	4.6
143.08507	2.4
145.06450	2.7
145.10121	14.2
147.04442	8.7
147.08006	8.0
147.11670	15.1
148.04694	1.9
149.09616	7.6
149.13284	2.9
151.11174	1.9
157.10161	10.9
159.11670	6.5
161.09662	3.4
161.13275	2.9
163.03928	4.2
163.11191	9.3
165.12695	2.4
172.95155	2.3
175.11208	12.7
177.12718	2.3
185.13280	2.7
189.11166	4.4
193.12247	30.9
205.12204	2.0
209.26398	1.7
211.13286	48.2
223.13283	16.1
227.12775	14.6
230.05704	1.7
245.18912	2.0
249.14903	3.3
255.15804	3.3
267.15894	30.1
268.03897	1.9
269.17484	5.4
269.83221	1.7
273.18484	16.7
275.16956	1.7
275.19772	7.7
283.15384	20.8
285.16943	51.3
291.19540	100.0
292.19958	2.7
335.25647	4.5
347.22284	2.4
349.23703	7.0
365.23239	51.8
437.25647	2.6
444.14810	1.9
459.27420	2.5
463.26797	4.5
477.28564	19.2
539.33191	2.9
557.34692	52.9
558.34698	2.9
575.35748	75.9
576.35437	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	771.2125
Annotation	Isorhamnetin 3-(6'''-p-coumaroylglucosyl)-(1->2)-rhamnoside
Peak:m/z	Relative Intensity
57.03436	0.6
64.48019	0.1
65.03925	0.8
69.03422	0.8
69.96085	0.4
69.96506	0.2
71.04991	3.5
73.02900	0.3
75.04472	0.2
81.03417	2.2
81.95689	0.1
83.04969	0.3
85.02901	4.3
87.04486	0.2
89.03884	0.2
91.05478	7.0
92.05789	0.1
93.03414	0.1
95.04961	0.1
97.02889	0.6
99.04448	0.3
107.04955	0.3
109.02882	1.2
111.04437	0.2
117.03368	0.3
119.04940	18.8
120.05255	0.2
121.02900	0.2
123.14359	0.1
127.03904	0.6
129.05501	0.8
135.04408	0.2
139.03926	0.2
145.02847	0.8
147.04404	100.0
148.04753	1.9
149.05937	0.2
151.03903	0.3
153.01781	1.0
163.03966	0.5
165.05470	4.6
177.05482	1.6
201.05487	0.1
229.04958	0.5
237.07503	0.1
245.04475	0.1
246.05263	0.2
257.04425	0.4
257.08157	0.1
273.03918	0.2
273.07477	0.2
274.04721	0.7
275.09119	0.4
285.03900	0.7
287.05475	0.3
291.08612	3.0
293.10138	0.4
302.04202	2.3
309.09692	4.5
310.09927	0.1
317.06552	17.1
318.06876	0.5
329.06458	0.2
339.10956	0.2
359.07639	0.8
399.39307	0.1
425.09683	0.1
445.11456	0.1
463.12729	0.1
495.71045	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	771.5033
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	2.1
55.05512	10.1
57.03434	5.0
57.07064	1.6
61.02922	12.8
62.91590	1.0
65.03931	1.9
67.05505	17.4
69.03442	7.1
69.07060	10.4
70.62943	2.2
70.63307	2.4
71.01318	1.4
71.04974	2.4
71.08642	1.2
73.02916	6.7
79.05493	13.0
81.03410	3.2
81.07054	19.8
82.92146	1.1
83.04971	2.1
83.08615	4.5
85.02914	12.7
85.06557	1.7
87.85014	0.9
91.03952	6.6
91.04443	1.1
91.05473	13.7
93.07048	13.9
95.04942	1.9
95.08604	17.2
97.02892	8.9
97.06498	1.7
97.10167	3.3
101.02372	2.5
103.51748	1.0
105.07037	13.3
107.04989	1.9
107.08571	9.6
109.06485	1.4
109.10142	6.5
115.05444	1.8
117.07019	7.1
119.08562	8.1
121.10136	5.4
123.11742	1.6
127.03955	2.0
128.06244	1.5
129.07024	8.3
131.08574	11.1
133.10132	8.1
135.11711	4.2
137.13295	1.7
141.07013	2.5
142.07785	2.3
143.08565	9.6
145.10146	8.4
147.04469	1.2
147.11694	5.4
149.13237	2.4
153.07083	1.3
154.07890	1.4
155.08586	8.2
157.10097	9.2
159.11700	7.2
161.13225	2.2
163.14758	1.0
165.06955	1.1
167.08577	3.7
168.09348	1.2
169.10147	8.9
170.11031	1.3
171.11685	8.8
173.13280	3.8
179.08569	1.8
181.10074	5.6
183.11647	9.7
185.13278	6.6
187.14816	2.8
193.10127	2.3
195.11722	6.6
197.13232	7.7
199.09412	1.0
199.11235	1.0
199.14862	4.0
201.16347	1.9
207.11729	1.8
209.13263	3.7
211.14844	5.6
213.12991	1.2
213.16365	3.1
217.66034	1.0
221.13269	1.9
223.14832	3.6
225.16389	2.7
227.18135	1.5
237.16441	2.7
239.17935	2.6
241.19666	1.3
249.16431	1.7
251.17969	2.9
253.19588	1.4
311.23730	1.3
337.25537	1.3
351.26849	1.4
391.03717	1.1
517.40436	6.2
521.36890	1.4
535.41315	3.7
539.37164	2.6
541.38318	1.3
591.44153	5.8
593.44812	1.1
607.43054	2.3
609.45074	100.0
610.45416	6.2
621.44452	1.3
735.48004	2.2
753.48254	1.7
771.50348	21.7
772.50641	1.4
794.26208	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.2125
Annotation	Isorhamnetin 3-(4'''-p-coumarylrobinobioside)
Peak:m/z	Relative Intensity
55.05480	0.1
57.03421	0.5
65.03931	0.7
69.03430	1.0
69.98594	0.8
71.04990	3.6
73.02914	0.2
73.56787	0.1
77.46176	0.1
81.02969	0.2
81.03412	2.0
83.04971	0.4
85.02901	3.8
89.03909	0.2
91.05475	6.1
92.02617	0.1
97.02885	0.5
99.04446	0.3
107.04964	0.3
109.02884	0.9
111.04389	0.3
117.03400	0.1
119.04932	17.8
120.05234	0.2
127.03908	0.3
129.05498	1.0
131.04893	0.2
133.10107	0.1
135.04440	0.2
139.03883	0.2
145.02843	0.6
145.04903	0.1
147.04398	100.0
148.04742	1.4
149.05977	0.2
151.03905	0.3
153.01810	1.0
161.06163	0.2
163.03906	0.5
165.05467	4.7
167.06964	0.2
177.05450	1.7
177.95200	0.1
228.04234	0.2
229.04967	0.5
246.05304	0.3
257.04453	0.3
257.08105	0.2
273.03976	0.2
273.07458	0.2
274.04800	0.7
275.09097	0.3
279.10187	0.2
285.04037	0.8
287.05457	0.4
291.08636	3.2
293.10196	0.4
302.04190	2.4
309.09671	4.3
317.06543	18.0
318.06964	0.4
337.96579	0.1
359.07764	0.8
360.34143	0.1
427.10318	0.2
625.15009	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	770.4315
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	13.9
55.05265	4.0
55.05515	65.1
56.05029	4.9
57.03452	23.6
57.07066	4.3
58.85587	2.9
61.02920	6.1
65.03928	5.3
67.05173	5.3
67.05510	89.6
67.05871	4.4
68.05025	3.1
69.03419	11.4
69.07071	40.2
69.78839	10.5
69.79261	10.2
70.02946	4.3
71.04987	9.2
72.04522	100.0
73.02913	3.2
79.05499	86.3
80.05007	12.4
81.03424	38.8
81.07063	93.9
82.02919	3.1
82.06576	10.3
83.05003	14.6
83.08624	28.1
84.04521	3.6
85.02921	19.0
85.06551	5.2
91.04952	5.4
91.05483	58.6
93.06470	4.1
93.07051	65.4
94.06538	4.2
95.04971	24.4
95.08598	33.6
96.04486	15.7
97.02895	8.3
97.06538	12.9
97.10165	28.9
98.21539	3.0
105.07034	41.9
106.06569	5.6
107.04948	12.7
107.08606	44.0
108.04469	18.3
109.06508	12.1
109.10149	11.9
110.06053	10.9
111.04437	5.5
111.08089	5.1
115.05392	3.2
117.06989	15.1
119.08596	36.9
121.10147	20.7
122.05997	4.7
123.04395	3.6
123.08057	8.5
123.11728	4.3
124.11240	10.1
125.09631	27.9
127.03918	4.0
129.07016	11.6
131.08553	14.8
133.06479	4.2
133.10127	25.3
135.08069	7.1
135.11679	12.8
136.11121	3.0
137.09608	8.9
142.07736	3.5
142.12277	5.7
143.08589	4.0
143.10548	3.0
145.06537	3.3
145.10133	13.0
147.04408	9.6
147.11703	17.4
148.04831	3.2
149.09612	10.9
149.13232	10.8
157.10130	9.4
159.08252	3.7
159.11707	11.1
160.11179	5.0
161.09607	3.5
163.03908	4.7
163.11162	8.0
170.11736	4.8
175.11171	5.5
177.12730	10.1
178.12279	12.3
188.10789	3.1
193.12268	25.1
194.15414	4.3
195.13817	4.8
199.13327	25.7
206.11800	5.0
208.13347	3.5
211.13290	26.6
222.14952	3.4
224.12827	34.4
227.12813	7.1
229.14432	4.2
233.18924	2.8
255.15741	3.7
257.19006	8.0
267.15930	15.1
269.17520	33.8
275.20087	31.8
280.15506	19.8
285.17001	37.0
290.21231	6.3
298.16513	82.0
306.20432	4.4
348.97995	2.9
349.23706	20.2
367.24951	7.0
380.24255	4.1
402.76099	3.2
409.25443	4.1
439.19315	5.4
439.69089	5.3
452.26233	4.8
471.09744	3.1
478.27948	9.8
492.29544	70.0
554.34747	4.2
572.35852	29.6
573.34302	5.9
590.37164	44.7
608.38025	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	769.395
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	10.8
55.05494	8.7
57.03428	19.5
57.07066	2.8
60.64420	1.8
61.02901	3.1
67.05494	15.3
69.03407	6.9
69.07056	4.8
70.06566	2.4
71.04981	4.1
71.59383	2.0
71.59825	2.4
73.02879	3.9
79.05489	20.8
81.03415	61.5
81.07046	17.6
83.04970	11.2
83.08617	20.1
85.02918	4.5
86.09704	4.7
88.06921	1.8
91.05476	14.7
93.07047	15.3
94.04182	3.1
95.04961	18.5
95.08613	9.5
96.05778	2.0
97.02886	3.3
97.06519	6.3
97.10146	3.8
98.07318	2.5
99.08062	5.4
105.07024	13.0
107.04939	7.3
107.08591	9.7
107.19635	1.9
108.05745	2.4
109.06503	3.8
109.10130	8.9
110.07350	1.9
111.08069	9.7
116.04690	14.8
117.05505	3.7
119.08571	14.5
121.06470	6.0
121.10115	8.2
123.08041	5.2
125.09573	2.2
127.11150	2.8
129.05481	37.6
129.06950	9.4
131.08585	9.3
133.06491	2.6
133.10112	6.2
137.05954	9.5
137.09525	2.5
143.07033	14.5
145.06525	1.9
147.04425	4.0
147.07971	3.5
147.11700	10.6
149.09608	5.2
157.08585	27.5
157.10095	10.6
159.11702	1.9
163.03906	8.0
165.12660	3.0
167.08902	2.0
171.10158	7.0
173.01111	1.9
174.10367	2.3
175.11105	10.2
181.12192	2.5
185.11763	4.6
189.08902	2.0
193.12230	29.4
199.13225	2.5
200.14056	6.5
201.14856	5.6
203.66360	2.0
211.13232	14.1
223.13228	2.6
229.14290	4.6
229.68674	2.0
249.15126	2.5
255.16269	2.9
256.15991	2.0
265.14484	2.7
267.15900	100.0
268.70602	2.5
271.46982	2.2
285.17007	11.1
312.14407	7.3
321.16962	3.0
322.17249	2.4
330.15436	65.3
336.05322	1.9
361.35434	1.9
367.22598	4.1
385.23715	3.5
439.26880	6.5
441.26251	4.2
450.26196	3.1
458.26324	8.5
459.27386	32.0
475.26974	4.8
476.27704	16.6
477.28369	12.9
522.27008	36.8
572.03937	2.2
589.36200	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	767.4314
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03456	3.8
55.01871	5.7
55.05507	30.7
56.05027	2.8
57.03438	8.6
57.07062	1.5
61.02916	4.4
61.05503	0.8
65.03934	3.1
67.01831	1.0
67.04229	3.1
67.05502	58.8
68.02645	28.1
68.05014	2.2
69.03409	2.2
69.04548	40.2
69.07063	38.4
70.02951	5.2
70.19617	3.4
71.04971	2.4
73.02912	1.5
77.03938	0.9
79.05487	38.4
80.05016	3.4
80.05800	1.5
81.03416	1.9
81.04559	0.8
81.07050	45.3
82.02935	3.2
82.06569	1.9
82.07384	1.1
83.04989	1.6
83.08611	42.9
85.02906	4.0
85.06541	1.6
91.03944	1.8
91.05475	29.4
93.07037	64.9
94.06551	1.2
95.04954	9.8
95.06087	1.7
95.07346	1.6
95.08601	42.6
96.08906	0.9
97.02964	1.5
97.04012	29.7
97.06531	2.4
97.10155	2.0
98.02409	100.0
99.02753	1.6
99.05598	4.0
100.03941	0.8
103.05436	2.4
105.04505	3.9
105.06376	1.3
105.07027	14.9
106.06548	1.4
107.06055	4.6
107.08587	19.6
108.08116	1.4
109.06501	3.0
109.10146	13.8
110.09673	43.0
111.05591	1.8
111.08070	19.4
115.05025	13.2
117.07004	6.4
119.06071	1.0
119.08575	9.1
120.08129	2.1
121.06496	3.1
121.07632	1.9
121.10139	15.5
122.04763	3.1
123.05527	3.2
123.08070	1.2
123.11725	3.6
125.03461	4.7
129.05531	0.9
129.06999	0.9
129.09102	2.5
130.06537	0.9
131.08553	7.7
132.06851	1.1
133.07611	1.8
133.10136	5.8
134.09615	2.2
135.05530	15.3
135.09175	0.9
135.11684	7.2
136.11137	0.8
137.06020	1.1
137.07069	1.8
137.10730	3.1
137.13239	1.3
138.09132	3.3
139.07535	10.0
145.07628	1.3
145.10129	4.3
146.08447	0.8
147.05522	1.7
147.09215	1.1
147.11665	4.2
149.07098	3.4
149.13226	3.5
153.06581	1.6
156.10196	25.2
157.08586	6.9
159.11688	2.6
161.07133	1.5
161.10747	4.0
161.13246	2.6
162.09171	2.8
163.12335	0.9
163.14825	1.6
164.10690	11.3
171.09218	1.0
173.10745	2.0
173.13246	2.1
174.11284	4.0
175.08217	1.1
175.09666	14.9
177.10295	0.9
179.11763	12.9
185.13231	0.9
187.14836	0.9
189.10245	3.9
190.08629	3.0
190.10985	1.8
191.11751	3.7
207.11261	2.6
212.12827	4.1
213.11179	7.8
217.09686	1.3
225.12390	4.0
230.13643	0.9
230.86664	0.7
231.12189	1.6
235.10753	15.3
236.11478	1.3
243.20935	0.9
253.11864	9.6
261.22244	3.5
271.12759	2.7
281.14801	3.6
309.14401	14.8
327.15475	41.0
335.25766	73.9
336.26315	2.5
345.16498	8.6
420.26874	0.8
473.32675	1.3
490.35266	5.0
491.33847	2.5
526.49561	0.8
533.85278	0.9
541.36151	2.5
569.35809	3.0
587.36853	77.0
588.37134	3.4
605.37958	28.7
605.47858	1.5
606.38098	1.2
708.99945	0.8
767.44366	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	766.3279
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	0.9
59.60765	0.7
65.03944	3.7
69.03425	3.6
69.72541	4.6
71.04990	2.1
81.03402	2.5
84.05357	0.8
85.02910	5.8
86.09705	1.2
91.05480	3.8
93.03398	1.1
93.07027	1.2
95.04975	1.0
97.02895	2.5
98.20771	0.8
103.05463	4.3
105.06981	1.4
107.04948	3.1
109.02898	1.0
110.03654	3.9
111.04417	4.6
119.04929	2.3
121.02877	4.5
121.06527	1.9
122.03718	0.9
123.04347	0.7
125.06015	6.0
127.03891	1.6
129.06998	2.4
131.04935	8.3
131.08557	1.0
133.02858	3.2
133.06468	1.6
135.04460	1.1
135.08044	1.6
137.05975	20.1
145.06509	2.1
147.04402	6.5
147.34477	0.8
148.04797	1.2
149.02328	0.9
149.05959	2.6
151.03874	1.9
151.07541	5.8
152.04588	0.8
153.05453	13.0
157.06454	2.7
159.08023	2.2
161.05992	5.3
161.09628	2.3
162.06825	1.1
163.03920	3.3
163.07541	14.9
167.07037	11.1
169.06546	0.9
174.06827	1.4
175.07527	4.3
177.05478	2.6
177.09128	2.7
178.07826	0.9
179.07054	3.4
181.04991	8.5
181.06473	1.5
181.08600	3.6
182.07217	0.9
184.09108	0.8
187.07578	1.0
189.09081	5.8
191.07056	1.7
193.08569	3.0
193.10170	1.4
195.08073	3.3
195.10175	2.2
197.05939	1.1
197.09636	1.1
207.08037	1.5
207.10100	1.9
208.08827	1.2
210.06721	2.0
211.07611	1.4
213.09012	1.2
219.08255	1.5
219.10162	6.3
221.09637	3.0
222.10382	0.9
223.07552	2.8
224.08295	2.2
225.09119	3.5
227.10751	0.9
234.06667	0.8
235.07375	1.1
237.09076	2.3
238.06213	0.8
238.09941	2.4
239.06924	2.1
239.10701	1.7
240.07857	4.2
241.08508	1.6
247.07474	1.3
248.08235	0.9
249.09047	3.5
251.06953	2.7
251.10800	0.8
252.07732	1.8
253.08586	9.7
253.12234	4.3
254.09279	1.5
255.06509	2.1
255.10176	2.5
257.08099	2.4
265.08575	2.6
266.09421	2.4
267.06372	1.5
267.10098	3.1
268.07230	1.2
269.08099	2.6
270.08807	1.4
271.13498	0.9
277.08701	1.6
278.09305	1.2
279.10083	1.3
281.08020	2.8
281.11758	5.5
282.08817	1.1
283.09662	7.0
283.12488	1.2
284.10339	2.4
285.11252	4.0
285.14740	2.0
291.10065	1.1
295.09741	2.9
296.10498	2.2
297.11197	2.1
298.08450	1.8
298.11795	1.5
299.09805	1.0
299.12628	5.1
300.09955	4.7
309.11206	5.6
310.12039	2.3
311.09457	0.9
311.12741	2.7
313.10687	22.2
313.14346	12.9
315.12268	1.6
321.11340	0.9
326.11353	1.7
327.12280	20.2
327.15848	0.7
328.13095	2.4
329.13730	2.3
331.15384	5.8
339.12250	5.1
341.13867	11.1
343.15482	2.6
345.16977	0.9
347.14722	1.0
353.13959	1.0
355.15317	2.8
357.13263	2.0
359.14868	100.0
360.15314	1.8
361.16431	10.2
367.15326	2.2
371.14871	17.6
373.16376	2.7
385.16299	1.6
389.15933	2.6
485.18600	1.1
509.21698	2.7
521.21710	4.2
523.22827	1.3
658.10571	1.0
697.94153	0.9
746.30255	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	764.3126
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.3
56.57502	0.3
57.03429	0.4
65.03923	2.1
66.04718	0.4
67.05492	1.0
69.03423	1.3
69.29465	0.3
69.51838	3.2
71.04992	0.6
75.04476	0.5
77.03937	0.6
79.05488	1.5
81.03410	2.1
81.07075	0.8
84.70614	0.3
85.02904	3.2
89.03899	0.5
91.05472	4.4
93.07019	0.4
94.04191	1.2
95.01324	0.5
95.04968	3.0
97.02898	0.7
97.06522	1.3
103.05469	14.4
105.03409	1.1
105.07036	2.7
107.04964	3.6
107.08572	0.4
108.02090	0.8
108.09819	0.3
109.02859	0.7
109.06513	1.4
110.03658	0.7
111.04414	1.5
115.05464	3.0
117.07002	2.5
118.04166	2.9
119.04943	5.5
119.08499	0.5
121.06519	1.8
122.03674	2.8
123.04408	2.0
125.05950	2.2
127.03918	0.5
129.06998	1.1
130.04176	0.9
131.04927	33.0
132.05730	0.8
133.02847	1.6
133.06480	4.2
135.04422	0.9
135.08051	1.9
136.05188	0.4
137.05974	64.0
138.06270	0.9
139.07495	0.6
141.05421	1.8
143.04921	1.8
144.05710	0.8
145.06482	4.1
146.03638	0.8
147.04414	7.5
147.08020	1.2
148.05197	5.9
149.05960	1.4
151.03900	77.3
151.07538	1.6
152.04340	1.1
153.05478	3.1
157.06459	1.1
159.04420	0.6
159.08057	1.2
160.05188	1.2
161.05983	3.8
162.06653	0.6
163.03891	2.0
163.07539	20.8
164.04619	0.5
165.05457	3.6
167.07027	11.3
168.07372	0.7
171.04343	0.9
171.06512	0.9
172.05125	0.5
173.05980	3.1
174.06783	1.0
175.07547	5.9
176.04716	2.3
177.05469	3.0
177.09131	1.1
179.07022	8.9
179.08528	0.8
181.04947	17.9
181.08562	0.7
183.06503	0.4
187.07520	2.4
189.05443	1.6
189.09094	1.6
191.07024	100.0
192.05827	0.4
192.07430	2.1
193.05043	0.6
193.08548	1.7
195.06555	1.0
201.05453	0.9
201.09198	0.4
203.07030	3.9
204.07669	0.4
205.06552	1.0
205.08624	3.6
206.07246	0.5
207.06424	0.6
207.08104	0.9
207.10149	1.0
209.08092	4.2
211.07494	0.5
215.07080	0.5
217.06688	0.5
217.08597	1.5
219.08206	0.5
219.09952	2.0
221.06010	0.4
221.07956	0.8
222.06712	0.4
223.07614	0.6
223.09673	1.1
225.09181	0.5
227.07153	0.5
231.06525	1.2
231.10184	0.5
233.05887	0.9
233.07973	3.1
234.06735	0.8
235.07497	1.1
235.09695	3.1
237.09111	1.8
239.07056	0.8
239.10651	0.7
240.07890	0.5
245.08073	1.2
247.07487	0.6
249.09169	1.4
250.06171	0.5
250.09865	0.4
251.06955	0.7
253.08565	0.7
259.09650	1.1
262.06235	0.5
263.09149	23.4
265.08527	1.2
265.10962	0.5
266.09094	0.6
267.10153	1.5
277.08612	2.3
279.10150	1.0
280.10782	0.4
281.08258	0.4
281.11682	0.6
282.08710	0.5
283.09738	0.6
292.07187	0.4
293.08112	1.3
294.08749	0.4
295.09689	1.5
297.11136	1.0
299.12695	0.7
305.08096	0.6
307.09583	1.3
308.10468	0.4
309.11124	1.6
319.09656	0.7
323.09244	0.6
325.10770	2.2
326.11465	0.4
327.12219	3.8
329.13873	1.5
337.10596	2.2
338.11435	0.4
339.12305	2.6
340.12625	1.1
341.14014	2.2
342.14114	0.6
351.12244	1.5
355.11722	8.2
357.13303	2.4
358.13434	0.4
359.14798	2.0
369.13422	5.9
371.14899	1.2
387.14383	57.5
388.14771	1.9
517.18591	2.8
521.21655	0.7
531.18542	0.7
549.20679	3.3
552.67322	0.4
726.70294	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.2996
Annotation	Unknow
Peak:m/z	Relative Intensity
56.41444	0.4
56.96562	14.9
57.07067	1.0
58.00793	0.4
58.82698	0.4
67.05500	2.6
69.07053	0.7
71.04990	0.5
71.59600	0.8
73.67142	0.5
79.05485	1.5
81.07054	19.6
82.07387	1.8
85.02908	1.1
86.07899	0.4
91.05467	1.8
93.07035	0.7
95.08602	3.2
96.08921	0.5
98.97572	4.1
101.38779	0.4
104.98399	0.4
105.07030	1.0
107.08583	1.3
109.06512	1.0
109.10147	3.2
111.08090	0.6
115.77302	0.4
116.98603	6.5
118.79008	0.4
119.04924	3.4
123.11702	18.4
133.10107	0.9
134.99667	6.6
137.05899	0.4
137.13254	4.6
138.13586	1.7
140.00163	0.6
147.04405	13.7
148.04749	0.6
151.11179	1.4
153.00671	1.9
158.01294	0.7
163.03943	0.9
181.01738	0.5
187.02766	0.9
191.00162	1.1
195.03290	3.9
197.01222	0.6
199.02858	0.7
203.00282	1.1
209.01286	2.2
211.02785	0.5
213.02267	0.8
213.04337	13.9
221.01215	3.8
225.07941	2.0
227.02238	0.6
231.05392	2.0
236.05965	2.1
239.02255	29.9
243.09044	11.0
244.02890	0.7
249.07912	0.4
257.03323	24.1
258.03610	0.5
261.10049	5.8
262.03864	4.1
263.02255	11.6
266.10684	1.0
267.09018	1.8
279.06552	2.0
280.04489	2.6
281.03275	5.9
285.09985	2.0
297.07556	1.4
299.04388	0.5
304.04861	1.9
309.11115	0.4
315.08658	1.7
316.09039	1.1
353.10602	2.1
357.92599	0.5
371.11603	3.3
375.09930	0.4
389.12686	3.2
394.13196	0.5
407.14035	0.7
413.12735	0.9
431.13773	100.0
432.14047	3.3
449.14804	8.5
472.16431	7.9
502.38519	0.4
517.15747	0.6
535.16321	4.5
569.74847	0.4
570.35236	0.5
685.26166	0.6
703.28162	2.0
763.30005	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	764.3119
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.6
57.03432	0.6
62.46349	0.4
65.03934	2.3
65.29523	0.4
66.04762	0.4
67.05505	1.2
69.03426	3.2
71.04977	2.1
71.51297	1.0
73.02898	0.5
73.97739	0.4
75.04475	1.1
75.88193	0.4
77.03929	0.9
79.05486	2.1
81.03407	4.0
81.07043	1.0
85.02899	6.0
91.05469	4.9
93.03429	0.6
93.07021	0.6
94.04186	1.4
95.01324	0.5
95.04961	2.4
97.02895	2.1
97.06514	0.9
99.04449	0.7
102.04642	0.6
103.05458	21.2
105.03405	1.0
105.07038	2.3
106.04148	0.4
107.04952	4.0
108.02118	0.9
109.02862	1.2
109.06524	1.4
111.04420	1.9
113.05991	1.7
115.05446	3.4
117.03284	0.6
117.07000	3.7
118.04150	2.6
119.04935	6.7
121.06489	1.5
122.03640	4.5
123.04394	2.2
124.05200	0.6
125.05986	1.8
127.03902	2.7
128.06212	0.7
129.05481	0.7
129.06964	2.0
130.04176	1.1
131.04921	44.3
132.05672	0.5
133.02847	1.8
133.06450	3.6
135.04390	1.0
135.08035	1.4
136.01506	0.4
137.05968	100.0
138.06320	1.3
139.07568	0.8
141.05414	2.5
141.06995	0.6
143.04932	2.7
144.05684	0.5
145.02924	0.5
145.04948	1.0
145.06474	4.9
146.03638	0.6
147.04399	15.2
147.08028	1.4
148.05205	7.6
149.05965	2.9
150.06718	0.4
151.03893	72.6
151.04944	3.3
151.07483	4.9
151.11198	0.5
153.05461	3.1
155.06996	0.6
157.06480	1.8
159.04401	0.9
159.08052	0.9
160.05200	2.2
161.05972	5.5
162.06715	1.0
163.03894	3.9
163.07533	48.2
164.07928	0.7
165.05495	3.6
165.09171	0.6
167.07033	11.5
168.07327	0.6
169.06471	0.8
169.51555	0.4
171.04369	1.3
171.06599	0.6
172.05118	0.7
173.05988	4.4
174.06755	0.5
175.07535	11.0
176.04654	1.8
177.05450	3.8
177.09146	2.0
178.06206	0.5
179.07030	10.7
179.08545	0.8
181.04944	17.5
181.08519	0.9
187.07515	3.9
188.08331	0.6
189.05428	1.7
189.07594	0.4
189.09048	2.8
190.06245	1.0
191.07013	88.2
192.07469	1.5
193.04921	1.5
193.06738	0.4
193.08626	2.2
195.06514	0.9
197.06030	0.5
199.07462	0.5
201.05432	1.1
201.09033	0.5
203.07011	5.3
205.06593	1.0
205.08553	9.6
207.06403	0.6
207.08183	0.6
207.10147	1.3
209.08064	4.7
213.05629	0.4
213.09230	0.6
215.06943	1.0
217.06532	0.8
217.08562	3.2
219.06334	0.7
219.08119	1.1
219.10143	2.2
221.08034	1.2
221.09830	0.8
223.07533	0.5
223.09612	0.8
225.09134	0.5
227.07030	0.8
229.08646	0.4
231.06343	0.7
231.10040	0.5
233.05960	0.9
233.08015	3.5
233.11629	0.5
234.06638	0.8
235.07463	1.3
235.09610	6.0
237.09126	2.5
238.09648	0.6
239.06909	0.7
239.10773	0.5
241.08563	0.7
245.08130	1.4
247.09740	0.5
247.70175	0.4
249.09123	2.3
250.06233	0.5
253.08522	0.7
257.07867	0.5
259.09714	1.2
263.09152	18.9
264.07709	0.6
265.08481	1.4
265.10977	2.7
267.10123	1.3
269.08109	0.6
269.11749	0.8
277.08545	1.9
279.10162	3.0
281.08331	0.4
281.12170	0.6
283.09494	0.7
287.09320	0.5
293.07935	1.3
294.08743	0.5
295.09668	1.9
297.11157	1.5
299.09491	0.6
299.12854	1.3
300.09744	0.5
307.09515	0.7
309.11121	1.7
311.08847	0.5
313.10553	0.5
321.11270	0.4
323.08890	0.6
325.10593	1.5
327.12271	3.7
329.13934	2.3
337.10574	1.3
339.12180	1.2
341.13589	2.1
351.12180	1.3
353.13748	0.7
355.11703	7.5
357.13181	1.9
359.14862	3.5
369.13339	5.1
371.14938	2.0
385.16171	1.6
387.14355	44.0
388.14853	1.0
389.15216	0.5
459.18048	0.5
517.18585	7.0
519.20300	0.8
521.21570	1.2
549.21161	5.2
550.52863	0.5
551.21674	0.6
746.30164	0.6
764.17902	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	762.333
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.6
55.05514	0.4
55.84498	0.2
56.96556	0.2
57.03442	0.4
57.07073	1.0
67.05502	2.5
69.03427	0.6
69.07059	0.9
71.01346	0.3
71.08628	0.5
71.59561	0.3
73.02906	0.9
79.05492	4.7
81.07054	100.0
82.07389	0.8
85.02888	0.8
86.09702	0.3
88.04668	0.2
91.05463	0.5
93.07040	0.5
95.08602	10.8
97.02885	1.0
107.04947	5.4
109.10165	0.6
111.71095	0.2
115.03925	0.6
119.05005	0.3
121.02869	1.2
131.04922	0.9
134.44928	0.2
135.04428	0.7
137.13249	79.6
138.13564	0.5
147.04398	2.0
159.04391	1.4
160.05219	1.8
163.03905	1.4
165.05533	0.3
175.03941	0.7
177.05461	0.7
179.08577	0.8
183.08057	1.3
189.06992	0.8
195.08052	0.4
196.10489	0.2
203.03401	0.5
205.06474	0.5
207.08047	3.9
214.76797	0.3
217.06546	0.5
221.04425	8.1
223.07523	0.7
225.09073	0.3
227.06979	1.8
233.05911	0.6
234.06543	0.2
235.07527	6.2
236.08264	0.3
241.08534	0.6
251.07109	1.4
253.08592	25.4
254.08733	0.4
255.06520	0.5
269.08008	1.1
279.06525	3.3
297.07562	12.9
299.09125	3.8
315.08603	27.7
316.08939	0.4
451.21152	9.0
459.12555	0.3
613.25659	0.7
651.43048	0.3
718.54449	0.3
738.16333	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.2995
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.7
55.01867	0.4
55.05495	0.7
56.96566	7.0
57.07076	5.4
59.04999	0.4
61.02925	0.5
65.03949	0.4
67.05504	7.0
67.41194	0.3
69.07054	0.8
71.02779	1.0
71.05002	0.6
79.05489	4.6
81.07054	56.0
82.07381	0.4
85.02890	0.7
91.05475	3.0
93.07043	2.1
93.53561	0.3
95.04973	0.9
95.08606	9.3
98.97580	5.2
105.07011	2.9
107.04939	0.6
107.08575	2.0
109.06505	1.9
109.10174	2.2
116.98611	8.5
119.04931	4.6
121.10145	1.0
123.11704	100.0
124.12034	0.8
133.10165	1.5
134.99652	10.5
137.06026	0.4
137.13307	0.8
140.00226	0.5
147.04408	21.3
151.11177	0.7
153.00710	2.1
158.01259	1.2
163.03914	0.6
175.02803	0.4
187.02797	0.6
195.03366	0.9
203.00264	0.6
207.07048	0.4
211.02809	1.2
213.04356	3.5
221.01291	1.2
222.61182	0.4
225.07925	2.2
229.03824	0.3
231.05415	0.6
239.02257	19.0
240.02850	0.4
243.09042	6.7
245.01346	0.4
249.08057	1.1
257.03329	23.4
261.10077	3.9
262.03879	2.8
263.02109	1.7
266.10657	1.0
267.09064	2.5
279.06616	0.4
280.04898	1.9
281.03326	1.5
285.10162	1.5
290.10962	0.5
299.04382	1.8
353.10593	5.7
371.11646	8.5
389.12604	1.7
394.13278	1.3
413.12668	1.4
431.13770	50.4
432.14154	1.3
449.14828	70.5
450.15292	2.3
472.16428	21.7
473.16730	0.8
517.15289	0.8
535.16388	2.5
553.17700	2.5
576.19019	0.7
703.27814	0.9
763.30054	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	758.4684
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.3
55.01865	5.8
55.05515	19.1
57.03441	17.3
57.07066	3.5
60.08163	2.0
61.02914	4.3
65.03933	3.7
67.05506	63.7
69.03417	4.1
69.07075	17.6
69.50478	9.7
69.50891	2.6
71.01349	2.4
71.04993	4.2
79.05499	46.3
81.03426	7.9
81.07058	54.7
83.04980	12.1
83.08621	11.9
85.02908	9.2
85.06528	1.8
86.09702	8.9
86.10191	1.4
91.03941	1.9
91.05482	33.5
93.07047	57.7
95.04968	14.5
95.08606	42.4
97.02892	7.6
97.06554	8.5
97.10170	3.7
99.04449	2.9
105.07027	19.0
107.04951	11.7
107.08600	33.3
109.06513	5.4
109.10153	22.5
111.04449	11.7
111.08085	4.5
116.06214	1.3
117.07014	12.8
119.08576	20.6
121.06488	2.9
121.10138	25.6
123.08053	4.3
123.11712	4.9
125.00005	5.4
125.06064	1.7
125.09620	2.2
129.07004	3.4
130.07776	3.2
131.04962	1.5
131.08568	17.2
133.06480	2.2
133.10138	16.5
135.08086	2.7
135.11699	23.5
137.09618	4.6
139.11206	1.9
143.08575	4.0
145.06470	2.2
145.10129	24.0
147.04390	1.6
147.08031	3.3
147.11688	7.6
149.09622	3.2
149.13272	6.6
151.11211	2.4
153.12724	5.1
155.08528	3.5
157.10136	4.2
159.08154	1.5
159.11696	6.1
161.13217	6.8
163.11160	18.3
163.14812	4.3
171.11710	2.1
173.09645	4.9
173.13275	7.2
175.11278	1.5
175.14781	1.8
181.12259	5.4
184.05788	1.6
184.07356	26.7
185.09636	1.3
185.13210	2.8
187.14790	3.6
189.11223	1.5
191.10732	7.3
196.35245	1.2
197.13286	2.3
201.16370	1.5
209.09796	2.1
209.11743	27.6
218.07413	1.3
227.12753	12.8
241.19562	2.4
243.21133	4.8
253.14314	4.5
259.20663	2.1
261.22153	15.1
265.14450	3.0
273.22058	2.8
277.21576	1.7
283.15408	74.9
285.16946	2.9
301.16461	28.5
315.23270	3.2
317.24881	4.2
333.24304	2.3
335.25812	95.4
336.26059	2.6
433.30945	7.7
451.32037	11.4
461.28485	1.5
469.33289	10.1
487.34320	5.3
507.35022	2.3
515.37201	2.5
524.72174	1.4
525.35742	15.0
543.36816	100.0
544.36938	3.7
544.67841	1.5
561.29626	2.6
561.37781	38.0
758.37787	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	758.4679
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.1
55.01871	11.4
55.05511	18.2
57.03435	14.3
57.07061	3.8
61.02921	3.6
65.03931	4.1
67.05502	78.3
69.03429	3.4
69.07063	19.6
71.04990	5.0
71.60511	1.7
73.02919	2.0
79.05490	59.1
81.03415	11.6
81.07054	68.3
83.04980	25.1
83.08618	10.4
85.02907	6.8
85.06540	6.1
86.09700	2.9
91.04893	1.6
91.05473	37.0
93.07040	69.4
95.01317	2.1
95.04967	18.2
95.08603	46.7
97.02882	3.6
97.06525	14.6
97.10148	3.3
99.04439	3.2
99.08108	2.6
99.56163	1.3
105.04501	2.2
105.07023	19.9
107.04942	32.3
107.05611	2.3
107.08588	38.8
109.06536	6.3
109.10144	21.7
111.04441	29.7
111.08080	8.8
117.07019	18.9
119.08569	25.1
121.06512	4.6
121.10137	47.7
121.88626	1.2
123.04419	2.4
123.08064	4.6
123.11710	7.1
124.99957	1.7
125.05995	4.8
129.05522	2.3
129.07004	5.8
131.04915	2.8
131.08559	22.6
133.10130	11.0
135.08031	2.4
135.11684	38.6
137.09715	1.9
137.13217	1.3
139.07504	1.8
139.11235	1.4
143.08543	3.1
145.06487	8.4
145.10115	42.7
147.08038	3.7
147.11694	10.3
149.09619	8.7
149.13255	4.4
151.11153	1.8
153.12729	17.8
154.07748	1.6
155.08537	9.7
157.10120	2.5
159.11655	6.8
161.09758	1.7
161.13284	5.1
163.11168	46.3
163.14796	1.9
165.12834	1.7
166.60861	1.4
171.11758	2.2
173.09608	22.7
173.13223	4.0
175.14790	2.3
179.30219	1.3
181.10669	2.4
181.12227	20.8
183.11694	2.6
184.07304	13.8
185.13287	1.8
187.14824	2.1
191.10661	22.5
209.11716	12.7
213.89444	1.3
227.12747	23.0
243.21152	5.2
255.15733	1.6
259.20490	2.5
261.22171	17.5
265.05853	1.3
265.14337	45.0
267.15863	2.4
277.21466	1.8
279.23236	1.8
281.13803	2.6
283.15384	96.7
284.15811	3.8
301.16449	100.0
302.16757	3.2
317.24863	1.6
333.24127	1.6
335.25775	68.0
336.26263	3.3
337.27084	2.1
423.32217	2.3
451.31897	3.8
458.80823	1.3
469.33151	3.5
471.91531	1.3
487.34079	2.0
515.37378	8.5
525.35809	16.2
526.35236	1.7
543.36792	45.5
544.37231	1.9
561.37836	61.5
562.38049	3.8
579.39215	3.2
641.28613	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.3634
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.8
55.01868	0.5
55.05260	0.4
55.05508	4.6
55.81174	0.3
57.03427	1.2
57.07071	1.3
59.04974	0.3
60.04499	0.3
65.03911	0.6
67.05503	6.5
69.03432	4.1
69.07064	7.5
70.06582	0.6
70.07561	1.1
71.04991	2.6
71.08627	0.4
79.05489	3.8
81.03421	6.5
81.07057	9.7
83.04967	1.3
83.08613	4.6
85.02420	0.4
85.02904	5.2
85.06521	0.9
86.09699	0.4
89.03911	4.0
91.05473	2.8
93.07037	4.6
95.04950	1.4
95.08604	8.9
97.02894	3.9
97.06519	1.2
97.10171	5.1
99.04456	1.6
99.08087	0.4
101.06000	0.3
103.05466	0.5
105.07016	2.2
107.04971	2.3
107.08598	2.8
109.02876	5.8
109.06493	0.4
109.10155	4.5
111.04452	2.4
111.08083	0.7
111.11697	2.1
115.03938	0.3
117.03387	4.6
117.07017	0.5
119.04913	1.0
119.08564	3.0
121.06516	0.7
121.10145	3.9
123.04447	0.7
123.08089	0.7
123.11713	1.7
125.09608	0.4
125.13314	0.3
127.03917	9.1
129.07036	0.4
131.04900	0.8
131.08574	0.5
133.10135	2.4
135.04408	12.9
135.11688	3.3
137.05954	1.6
137.09639	1.0
137.13226	0.9
139.11160	1.0
143.08614	0.4
145.02847	9.2
145.03990	0.5
145.04953	0.9
145.06462	0.5
145.10106	0.9
146.03183	0.4
146.45865	0.3
147.04411	2.5
147.08069	0.3
147.09122	0.3
147.11687	2.0
149.05988	0.5
149.13222	1.2
151.03880	0.3
151.07539	0.6
151.11200	0.7
151.14851	0.6
153.05484	0.3
153.12752	0.4
157.06503	0.4
159.11682	0.4
161.05981	0.5
161.13261	1.8
163.03900	100.0
163.21968	0.3
164.04211	2.0
165.05495	0.5
165.12717	0.8
167.07022	2.6
169.12180	0.3
171.13808	0.5
173.05943	0.5
173.09547	0.4
175.03893	0.6
175.14821	0.8
177.05484	0.5
177.09105	0.4
179.14220	0.6
181.04980	2.8
181.08492	0.3
186.05428	0.4
187.03926	0.3
189.05582	0.3
191.07097	0.6
193.15959	0.4
193.19531	0.4
215.17964	0.4
217.04994	0.4
217.19527	3.7
233.19011	0.9
235.17033	0.3
235.20578	5.9
249.08885	0.3
251.19951	0.8
253.21614	6.4
269.21243	0.4
271.05981	0.6
271.22675	0.9
279.10071	0.3
279.16663	0.3
287.10379	0.5
288.08594	0.5
289.07108	0.3
295.22656	1.2
303.04907	1.0
307.08304	1.0
315.23236	0.5
319.22708	0.4
325.09137	7.0
325.21445	0.4
326.09598	0.4
331.22647	0.3
333.24066	0.4
337.23572	0.3
339.12088	0.4
343.22638	3.0
351.12115	0.4
361.23718	6.4
379.24786	13.5
387.14185	0.3
397.25821	11.4
398.26178	0.4
415.26929	2.8
416.14499	0.6
417.15320	0.8
523.27069	0.5
541.27844	0.5
559.29034	1.1
577.29987	3.0
595.31775	0.5
739.86383	0.3
757.26953	0.4
757.40564	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.2179
Annotation	Quercetin 3-rhamnosyl-(1->2)-rhamnosyl-(1->6)-glucoside
Peak:m/z	Relative Intensity
53.03938	0.2
55.01883	0.2
55.05491	0.5
57.03433	1.8
59.04998	0.2
59.50398	0.1
61.02916	0.4
67.05513	0.1
69.03436	1.4
69.30935	0.1
70.83993	0.3
71.04993	11.4
73.02559	0.1
73.02900	0.9
75.04475	0.5
81.03400	0.6
83.04977	2.6
85.02904	16.5
87.04451	0.5
91.03944	0.2
95.04937	0.5
97.02896	1.2
97.06489	0.2
99.04449	0.6
101.37511	0.1
107.04987	0.2
109.02882	0.7
111.00796	0.4
111.04436	2.2
113.05966	0.3
117.05499	0.4
121.02848	0.8
123.04365	0.2
127.03911	0.9
129.05478	4.9
135.04411	0.3
135.33475	0.1
137.02336	1.8
137.35764	0.1
145.04942	0.6
147.06535	2.1
149.02307	0.3
153.01845	2.1
153.05414	0.6
157.05014	0.2
159.06577	0.2
163.03929	1.0
163.06017	0.6
165.01848	1.2
165.05498	0.1
166.02562	0.2
171.06491	0.3
171.59810	0.1
183.02930	0.6
183.04340	0.2
195.02939	0.2
201.05486	0.8
201.07263	0.2
205.04863	0.2
229.04961	2.4
239.09122	0.8
239.34935	0.1
247.06012	0.7
257.04434	1.9
257.10190	0.4
274.04721	0.6
275.11258	0.5
285.03857	0.7
287.05502	0.8
293.12277	0.2
299.05386	0.2
302.04276	0.2
303.04987	100.0
304.05316	1.6
315.04950	0.4
317.06635	1.6
327.04791	0.2
345.05948	0.8
345.38922	0.2
369.06052	0.3
413.08685	0.3
431.09616	0.3
447.08908	0.2
449.10721	1.0
465.04132	0.3
465.10297	2.8
479.12000	0.3
555.15796	0.2
611.16089	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.1968
Annotation	UNII-8PGL6583N7
Peak:m/z	Relative Intensity
53.03946	0.2
55.01862	0.1
55.05522	0.1
55.31489	0.1
57.03444	0.5
59.06490	0.1
60.38420	0.1
65.03930	1.0
68.99801	0.1
69.03432	0.9
71.01357	0.1
71.04990	2.8
75.04472	0.1
79.05496	0.1
81.03411	1.1
81.07048	0.1
83.04959	0.3
85.02902	3.3
87.04439	0.1
91.05478	8.6
95.04976	0.3
95.08593	0.1
97.02885	0.4
105.07021	0.1
106.04013	0.1
107.04955	0.3
109.02850	0.6
111.00789	0.3
111.04435	0.2
119.04939	20.8
120.05293	0.4
121.02839	0.4
123.04466	0.2
123.87958	0.1
127.03883	0.6
129.05507	0.7
135.04378	0.2
137.02325	1.1
137.05922	0.1
145.04857	0.1
145.06558	0.1
147.04404	100.0
148.04739	2.1
149.02362	0.2
153.01816	1.0
161.05974	0.1
163.03902	0.9
165.01875	0.7
165.05467	1.0
167.07045	0.2
169.06487	0.1
173.06062	0.1
173.98837	0.1
175.07552	0.1
181.04947	0.3
183.02888	0.3
183.04359	0.1
187.07513	0.2
201.05505	0.8
205.04926	0.1
229.04950	1.4
238.73863	0.1
244.52449	0.1
247.06052	0.3
249.09169	0.2
257.04398	1.0
274.04724	0.3
275.09082	0.7
285.03949	0.4
287.05530	0.2
291.08615	1.5
293.10162	0.4
303.04980	43.1
304.05325	1.6
309.09683	2.2
315.04834	0.2
345.06046	0.8
355.23730	0.1
411.07263	0.1
416.14697	0.3
447.09302	0.1
449.11002	1.0
465.10245	0.1
593.13892	0.1
611.14008	0.2
661.83008	0.1
713.69507	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	757.1968
Annotation	UNII-8PGL6583N7
Peak:m/z	Relative Intensity
53.03939	0.2
55.01848	0.1
55.05502	0.1
57.03433	0.4
61.02898	0.1
65.03926	0.7
68.99801	0.1
69.03426	0.9
70.08987	0.1
70.09393	0.2
71.01330	0.1
71.04987	2.9
73.02897	0.1
75.02372	0.1
75.04466	0.2
81.03410	2.0
83.04987	0.3
85.02899	3.8
87.04465	0.1
91.05473	6.0
92.05775	0.1
95.04984	0.1
97.02876	0.5
99.04445	0.3
106.52341	0.1
107.04949	0.2
109.02865	1.1
110.03599	0.1
111.00777	0.1
111.04444	0.3
119.04934	17.5
120.05258	0.2
121.02899	0.1
123.04445	0.1
127.03896	0.6
129.05478	0.8
135.04424	0.1
137.02306	0.5
137.05904	0.1
147.04398	100.0
148.04738	1.5
149.02371	0.1
149.05916	0.1
153.01822	0.6
163.03905	0.6
165.01845	0.4
165.05466	4.5
166.05847	0.1
171.04242	0.1
177.05614	0.1
178.08299	0.1
181.04877	0.1
183.02872	0.1
201.05501	0.2
207.06506	0.1
229.04962	0.7
237.07582	0.2
247.05937	0.1
249.07753	0.1
257.04431	0.5
257.08090	0.2
269.08008	0.1
273.07513	0.1
274.04749	0.1
275.08942	0.3
285.03931	0.2
287.09164	0.1
291.08594	3.1
292.08838	0.1
293.10107	0.4
303.04968	17.3
304.05267	0.5
309.09659	4.7
310.09943	0.2
315.04883	0.1
345.05997	0.7
411.11508	0.1
416.14481	0.1
449.10690	0.6
455.15152	0.1
611.14258	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	755.4681
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.2
55.05507	13.9
56.05030	3.2
57.03424	9.3
57.07072	3.0
58.06590	2.7
65.03964	2.9
67.05502	53.3
69.03401	2.9
69.07056	11.7
71.13723	4.3
72.08154	2.6
79.05489	30.0
80.05012	10.5
81.07050	57.0
82.06572	2.4
83.08605	4.1
84.58259	2.3
85.02872	2.8
86.09747	2.4
91.05472	45.7
93.05780	2.6
93.07044	29.9
94.06570	31.0
95.04967	7.6
95.07343	9.0
95.08602	30.1
96.08144	2.8
97.10191	2.8
105.07024	30.9
106.06518	3.2
107.07368	4.0
107.08594	16.4
108.04430	2.2
108.08105	16.3
109.10149	14.7
117.07017	3.6
119.08582	5.6
121.10124	12.1
122.06004	2.8
122.09644	15.1
123.11723	6.9
131.08551	9.5
133.10121	13.5
135.11691	6.2
145.10127	5.0
149.13258	5.4
150.12779	31.0
159.11674	2.5
173.13272	2.4
176.10312	2.0
184.07324	4.5
196.13307	13.1
206.11797	2.2
228.91585	2.3
240.54100	2.4
241.85533	2.0
243.21109	4.8
244.72998	2.2
252.15959	10.3
261.22171	8.4
262.14426	2.0
298.16486	74.6
335.25784	100.0
336.26230	4.0
337.82816	2.3
424.08408	2.1
540.36798	9.3
541.37311	2.9
558.37830	77.5
558.46539	4.6
559.38354	3.1
576.38708	9.4
622.68365	2.5
752.44965	2.5
755.44788	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	754.5032
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.5
55.05509	0.7
57.01883	0.2
57.07071	1.6
65.03928	0.5
67.05499	3.9
69.07064	2.0
70.03115	1.0
71.08619	0.4
79.05483	4.2
81.03418	0.5
81.07049	100.0
81.73083	0.2
82.07376	1.1
83.08610	0.4
91.05466	0.9
93.07033	1.3
95.04957	0.4
95.08598	13.5
98.21441	0.3
104.10726	0.2
105.07018	0.9
107.04944	1.1
107.08588	1.1
109.10149	1.7
119.04921	2.4
119.08568	0.6
121.10117	0.6
123.11685	0.4
132.38554	0.2
133.06476	1.2
133.10110	0.4
135.11671	1.7
137.13243	95.0
138.13559	1.5
139.07509	0.3
145.06352	0.3
147.04396	22.6
147.11617	0.3
148.04623	0.2
149.13248	0.5
161.13217	0.6
163.14792	0.4
165.05461	18.1
166.05840	0.3
177.05431	0.3
184.07376	0.3
194.86403	0.2
199.11101	0.3
207.13788	0.2
223.07498	0.2
245.11812	0.4
251.06970	0.6
255.17360	0.7
269.08090	0.8
273.25677	0.6
283.16779	0.6
291.19568	0.5
301.14774	0.4
301.17953	4.2
365.23007	0.3
447.21652	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.469
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.2
54.72631	0.9
55.05510	11.6
56.05024	3.3
57.03436	7.9
57.07069	1.4
61.02908	1.7
63.88564	0.9
65.03924	1.7
67.05504	38.3
68.05036	1.3
69.03417	1.3
69.07068	9.1
70.06586	2.8
71.04974	1.5
71.58424	1.2
72.08162	1.9
79.05493	25.9
80.05000	4.0
81.03423	1.6
81.05779	1.5
81.07058	38.4
82.06543	2.5
82.07375	0.9
83.08610	5.2
84.08125	1.1
85.02896	1.3
85.06514	1.0
91.05478	32.6
92.30398	0.9
93.05791	2.5
93.07039	24.8
94.06017	1.6
94.06570	21.5
95.04951	4.1
95.07330	2.9
95.08605	25.9
96.08138	1.3
97.02912	1.1
97.06514	2.1
97.10168	1.8
105.07031	21.7
106.06542	2.4
107.07348	2.6
107.08595	12.5
108.08124	11.6
109.02840	1.1
109.08955	1.2
109.10149	13.5
110.06081	1.1
111.08085	1.0
112.49421	0.9
117.07006	3.7
119.08598	6.4
120.08090	1.3
120.72941	1.0
121.08867	2.3
121.10155	10.2
122.09656	8.5
123.08070	0.9
123.11681	4.5
131.08592	6.3
133.10136	10.0
135.10451	2.4
135.11664	5.0
137.13228	1.2
137.94513	0.9
141.17128	1.0
145.10120	3.4
147.11650	2.5
149.13258	2.5
150.12778	16.4
159.11691	2.3
161.13210	1.8
163.14819	1.4
173.13255	1.5
184.07278	2.7
187.14856	1.2
196.13335	8.6
206.11855	1.1
235.39619	0.9
243.21080	2.7
252.15953	6.4
261.22165	4.5
262.14212	1.2
280.15411	3.3
293.60187	0.9
298.16498	43.5
325.07324	1.0
335.25800	100.0
336.26044	3.2
364.00403	1.2
448.32025	1.2
534.74902	1.2
540.37067	6.0
541.37347	3.0
558.37878	44.5
559.37872	2.8
576.39240	5.3
690.20679	1.0
755.44824	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	754.4375
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	14.2
55.01862	7.0
55.05512	41.3
56.05022	4.5
57.03438	14.8
61.02931	14.0
65.03934	5.8
67.05506	42.7
68.05031	2.9
69.03427	9.2
69.07067	26.4
70.06599	3.2
70.91827	4.2
71.01346	1.5
71.04977	5.8
73.02892	4.1
77.03922	2.4
79.05497	100.0
80.05025	11.7
80.05777	1.5
81.03418	34.9
81.07061	41.7
82.06590	3.9
83.04620	1.4
83.04988	14.2
83.08623	18.9
84.08130	1.6
85.02910	28.0
85.06544	3.0
85.73771	1.4
91.03939	5.6
91.05486	62.7
92.04951	4.2
93.05786	3.1
93.07047	46.8
94.06555	4.5
95.04977	35.3
95.08617	18.1
97.02900	11.4
97.06535	7.3
97.10184	18.9
101.02372	2.0
105.04491	2.9
105.07030	28.4
106.06577	9.4
107.04948	5.1
107.07412	1.8
107.08603	15.6
108.08064	2.4
109.06516	5.4
109.10131	8.0
111.04457	1.6
111.08091	4.8
115.05436	2.9
117.07011	7.3
118.06528	4.0
119.04962	1.9
119.08586	19.5
120.08100	3.4
121.06495	2.0
121.10162	19.5
123.08057	3.9
124.11214	2.9
125.09630	16.7
127.03857	2.7
129.07021	13.2
131.08572	17.3
132.08075	3.9
133.06416	2.2
133.09152	2.8
133.10112	15.0
134.09674	2.2
135.11639	2.3
136.11218	3.9
138.12794	29.3
142.07730	2.1
144.08072	2.0
145.10143	4.9
146.09607	1.7
147.04353	2.7
147.07988	2.2
147.11710	12.0
148.11221	5.0
149.09608	6.4
157.10123	13.2
159.11656	3.2
170.11752	9.9
171.11885	2.1
175.11188	8.4
176.14345	4.9
177.12741	18.4
189.11301	2.0
192.13977	1.8
193.12239	23.2
194.15404	10.6
199.13289	19.9
204.13820	6.1
211.13260	20.8
222.14912	3.6
226.78986	1.5
227.12790	7.4
267.15805	11.3
272.20047	7.0
278.17325	3.6
285.16986	29.2
290.21152	56.9
308.22141	4.8
312.23193	2.1
313.21179	2.3
330.24313	2.0
346.23730	4.2
358.16486	3.9
364.24756	13.1
382.25964	3.2
391.24860	3.7
409.25955	4.5
437.25281	2.7
460.30466	4.4
461.28580	3.3
478.31613	8.2
500.33289	2.4
556.36346	31.6
574.37390	84.7
575.37567	3.0
592.38501	72.6
593.38416	2.3
603.67523	1.8
665.78528	1.8
736.42987	11.1
754.43427	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	754.4361
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.2
55.01875	5.0
55.05506	12.4
56.05030	8.0
57.03432	9.2
57.07064	1.3
57.36106	0.9
61.02922	8.9
63.31948	0.9
65.03931	3.6
67.05501	42.2
68.05016	1.3
69.03430	6.9
69.07064	25.4
70.02947	2.5
70.06582	2.0
71.04975	4.0
71.08610	1.2
71.60139	1.1
72.76878	0.8
73.02896	3.1
79.05489	45.4
80.05014	18.9
81.03413	25.9
81.03802	0.5
81.03900	0.8
81.07052	52.7
82.06578	5.9
83.04974	9.3
83.08616	9.8
83.25368	1.0
85.02901	22.7
85.06557	2.5
91.03950	3.7
91.05473	46.1
92.05004	3.1
93.05782	1.8
93.07035	37.3
94.06561	8.9
95.04966	17.1
95.08604	16.7
96.08125	6.9
97.02903	5.5
97.06531	9.2
97.10178	2.9
98.06026	1.5
99.04461	1.1
99.08072	1.3
103.05533	1.2
105.07021	22.8
106.06552	7.5
107.04942	5.5
107.07375	1.3
107.08588	17.6
108.08110	3.4
109.06515	3.4
109.10136	6.0
110.09673	2.2
111.08096	4.4
112.07645	1.1
113.05953	1.3
114.09138	2.6
115.05447	2.4
116.06208	1.0
117.07012	12.8
118.06522	3.3
119.04910	1.3
119.08570	14.0
120.08096	6.7
121.06456	1.5
121.08900	1.0
121.10128	7.0
122.09662	1.3
123.08053	1.6
125.09599	1.4
127.03906	2.3
128.06181	1.3
129.07002	7.1
131.08554	16.8
132.08069	4.0
133.06512	2.4
133.10118	13.8
134.09662	6.5
135.11687	4.3
137.06046	0.9
137.13222	1.3
141.06961	1.1
142.07794	2.4
143.08539	2.9
144.08067	1.3
145.10114	3.7
146.09636	2.7
147.04404	6.1
147.08063	3.0
147.10512	1.9
147.11635	8.8
148.04681	1.1
148.11197	3.3
149.09615	3.4
149.13240	9.0
151.11171	1.6
157.10135	8.8
159.11699	5.8
162.12709	1.2
165.12735	1.5
174.12781	2.0
175.11159	6.1
176.14296	7.2
177.12735	100.0
178.13091	1.1
183.96133	0.9
193.12230	15.1
194.15399	59.4
204.13878	2.5
211.13280	19.8
212.16454	3.8
222.14885	14.8
244.20683	1.1
250.18028	3.3
251.16512	2.4
267.15836	10.4
268.19086	3.5
272.20099	6.1
278.17505	25.5
285.16992	17.0
290.21121	34.6
308.22116	7.1
346.23776	3.5
364.24753	10.1
369.24255	1.2
385.02002	0.8
438.19510	1.8
443.27948	3.7
460.30484	5.8
461.28934	11.4
470.29413	4.6
478.31641	11.7
488.29810	6.4
488.36148	0.9
496.32526	3.2
497.32617	0.9
556.36255	13.6
574.37372	53.9
575.37634	3.1
592.38397	32.3
718.41370	1.2
736.42401	6.4
754.43652	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49771	0.2
55.01862	1.0
57.03426	1.2
57.08962	0.2
61.02924	1.2
65.32418	0.2
68.99789	1.2
69.03429	2.9
71.01279	0.2
71.04992	2.2
71.59628	0.4
73.02873	0.7
80.62223	0.2
81.03378	0.7
83.04958	0.2
85.02899	9.3
87.04443	0.3
88.95039	0.2
91.03902	0.3
91.05480	1.0
95.04936	0.3
97.02356	0.2
97.02878	2.0
99.04445	0.5
103.05463	0.2
105.03362	0.3
105.06987	0.4
109.02859	0.7
111.86707	0.2
117.07032	0.5
119.04939	1.8
121.94511	0.2
123.04418	12.4
124.05223	0.3
125.02356	0.3
127.03937	1.5
128.06177	0.2
129.05455	0.2
129.06943	0.4
131.04869	0.3
131.08562	0.4
133.06450	0.6
135.04362	0.7
137.05917	0.3
139.03925	1.0
141.01758	0.5
141.06943	1.3
143.04842	0.5
145.04945	0.5
145.06493	1.0
147.04407	7.5
147.07985	0.6
149.05949	0.5
151.03857	0.8
151.07570	0.2
155.04893	0.4
157.06499	1.0
159.04391	0.5
159.07977	0.4
161.05971	5.9
163.03900	1.7
163.07494	0.4
165.01822	0.3
165.05466	3.1
169.06503	1.4
171.04362	0.3
173.05968	2.0
175.03902	5.5
175.07523	0.8
177.05476	1.6
181.06467	0.2
183.02887	0.2
183.04382	0.5
185.05960	3.0
187.04027	0.3
187.07521	1.5
189.03911	0.3
189.05457	3.9
191.06990	0.9
193.04877	0.3
197.05980	1.2
199.03838	0.8
199.07503	0.8
200.04573	0.3
201.05443	6.2
203.03333	0.5
203.06992	2.8
205.04909	0.7
207.06509	0.7
211.03845	1.3
213.05461	11.3
214.06088	0.2
215.03630	2.4
215.07002	11.9
216.07356	0.2
217.04956	7.5
219.06502	1.0
225.05437	1.6
227.06953	0.8
229.04955	5.9
231.06517	2.8
235.05954	0.3
241.04947	1.6
243.06514	19.6
244.03662	0.9
244.06862	0.3
245.04457	4.6
245.08215	0.4
247.06039	1.4
253.04877	1.3
255.06569	0.7
257.04520	0.3
259.06009	7.1
261.07480	1.4
271.06003	14.4
272.06567	0.3
273.07593	1.7
277.07019	1.2
283.06049	0.9
289.07040	100.0
290.07394	1.2
301.07071	1.4
303.08521	0.3
319.08170	0.9
341.10275	0.4
351.08426	0.3
353.10275	0.3
365.10318	0.5
367.08246	0.6
369.09619	2.2
371.10873	0.3
395.11224	4.2
395.15884	0.4
396.08307	0.5
405.09763	0.4
411.10794	0.9
423.10657	2.4
425.12122	1.2
441.11777	97.2
442.11996	1.7
451.12341	4.6
603.17035	48.5
604.17499	0.9
612.69452	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	0.3
55.01876	1.4
56.65914	0.2
57.03394	0.8
61.02925	1.3
61.03158	0.2
62.91999	0.2
64.48683	0.2
67.05463	0.2
68.99776	1.2
69.03429	3.3
69.39277	1.9
69.39685	0.5
71.04987	2.0
73.02872	0.5
81.03373	0.9
83.01321	0.3
85.02902	8.8
87.04420	0.4
91.03953	0.4
91.05434	1.1
97.02903	2.2
99.04400	0.7
105.06975	0.3
107.04939	0.3
109.02844	0.5
115.05434	0.4
118.28813	0.2
119.04931	1.8
121.06438	0.3
123.04426	12.7
124.05197	0.3
127.03937	1.4
128.06151	0.3
129.06973	0.5
131.04889	0.3
131.08514	0.5
133.06476	0.6
135.04378	0.8
137.02298	0.4
137.05946	0.7
139.03870	1.0
141.01762	0.9
141.06923	1.0
143.04892	0.4
143.08607	0.3
143.90433	0.2
145.04892	0.2
145.06462	1.1
147.04404	7.3
147.08011	0.5
149.05969	0.6
151.03889	1.4
151.85193	0.2
155.04861	0.4
157.06500	1.1
159.04434	0.5
159.07976	0.5
161.05989	7.3
163.03886	1.9
165.05484	2.8
169.06448	1.1
173.06000	2.4
175.03912	5.8
175.07468	0.7
177.05489	1.9
183.04341	0.8
185.05974	3.1
187.03819	0.4
187.07565	1.6
189.05446	3.9
191.07019	1.3
197.06017	1.9
199.03889	0.5
199.07497	0.5
200.04643	0.3
201.05464	5.9
203.03317	0.5
203.07022	3.5
205.05072	0.5
207.06494	0.4
211.03876	1.1
213.05461	11.4
215.03571	2.9
215.07007	12.4
217.04971	8.1
218.05316	0.3
219.06480	1.3
225.05370	1.4
227.06953	0.5
229.04947	5.8
231.06526	3.4
232.03455	0.3
241.04955	1.1
243.06528	19.0
244.03635	1.2
245.02129	0.4
245.04460	4.2
245.08035	0.6
247.06003	1.7
253.04961	1.2
255.06462	0.6
257.04175	0.3
259.06015	7.5
261.07529	1.4
271.06003	12.1
273.04474	0.4
273.07547	2.7
277.07043	1.0
283.06119	0.5
289.07053	100.0
290.07355	1.7
291.08795	0.3
301.06964	0.9
305.22729	0.3
319.08072	0.7
341.10220	0.4
351.08591	0.3
365.10123	0.5
367.08145	0.7
369.09644	2.3
371.11310	0.5
395.11237	3.8
411.10706	1.0
423.10779	1.8
425.12271	1.8
441.11798	88.2
442.12155	2.1
451.12396	3.6
505.72662	0.3
562.58392	0.3
603.17072	43.7
604.17450	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	748.2627
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.2
55.01869	2.9
57.03434	0.7
65.03937	4.4
66.04735	0.7
67.05504	1.6
68.99799	0.7
69.03439	1.6
70.06601	0.7
70.18478	1.0
70.18879	1.0
71.04974	0.9
75.04478	1.9
77.03937	0.8
78.04703	2.3
79.05491	5.1
81.03407	2.1
81.07074	2.3
82.04204	1.1
82.69105	0.4
85.02903	7.0
89.03922	1.5
89.06063	0.5
91.05480	10.3
92.06282	0.4
93.03401	6.7
93.07037	2.9
95.04971	6.0
95.08633	0.5
97.02894	0.6
97.06505	2.9
103.05467	23.1
105.03382	2.3
105.04485	0.8
105.07034	8.0
106.04173	14.1
107.04953	10.9
107.08624	0.6
109.06519	1.6
110.03670	1.9
111.04436	2.7
115.05450	5.8
117.07022	4.5
118.04175	4.4
119.04984	2.7
119.08591	1.1
120.05767	0.6
121.06508	16.9
122.03604	0.6
122.07299	0.7
123.04426	5.6
123.08108	0.6
124.05215	3.2
125.05987	8.8
129.06969	1.3
130.04135	1.8
131.04929	22.1
131.08578	1.1
132.05763	2.1
133.02861	2.5
133.05582	0.8
133.06493	9.6
134.03610	3.3
135.02762	0.5
135.04439	2.9
135.08034	1.9
136.05208	0.7
137.02333	0.5
137.05980	6.2
138.03131	1.4
138.06799	0.6
139.03951	0.5
139.07544	1.7
140.04688	0.6
141.06979	0.8
142.02612	1.3
143.04915	1.7
143.06000	0.6
144.05708	1.7
145.02847	1.6
145.06485	7.2
146.03600	1.3
146.07202	0.7
147.04388	5.2
147.08031	3.2
148.05182	11.3
149.05981	29.5
150.06384	0.6
151.02122	0.9
151.03926	4.1
151.07507	3.4
152.04662	1.8
152.08279	0.5
153.05455	4.4
153.09090	7.1
154.06047	0.5
155.04910	0.6
155.07036	0.8
156.05690	0.6
157.06456	1.9
159.04424	1.2
159.08061	1.5
160.05177	1.8
161.05981	10.4
162.01308	1.4
162.03084	0.4
162.06744	0.6
163.02606	0.6
163.03891	4.5
163.07547	23.6
164.07979	0.6
165.05571	2.5
165.06837	0.7
165.09096	0.8
166.02637	0.6
166.06239	1.3
167.07037	64.5
168.07365	1.6
169.06537	0.5
171.06561	3.8
173.05972	7.0
174.06779	0.9
175.03902	0.8
175.07556	3.9
176.03433	0.4
176.04649	2.4
177.05470	20.2
177.09056	1.3
179.01625	1.0
179.06999	1.2
179.08485	0.7
180.07880	0.7
181.04958	80.7
181.08505	14.4
182.05310	1.3
185.05835	0.8
187.07538	4.2
189.05478	1.4
189.09138	0.9
190.00832	2.4
190.06212	1.4
191.07025	100.0
192.07802	2.9
193.04936	1.3
193.08571	3.4
195.06528	5.0
197.07967	0.5
201.05441	1.9
201.09076	0.6
203.07013	2.7
205.08624	3.8
207.06572	2.1
207.08215	0.8
207.10266	2.2
208.01895	1.6
208.08821	0.7
209.08084	97.3
210.08545	1.5
213.05524	1.0
217.08517	2.5
219.08099	1.0
219.10075	5.8
221.06190	0.7
221.08086	1.5
223.04247	19.5
223.07503	0.8
223.09517	0.6
224.08223	0.6
225.07558	2.0
229.08641	0.9
231.06532	1.5
233.08066	6.8
234.06612	0.5
234.08836	0.6
235.07455	1.6
235.09654	7.0
237.09087	0.9
241.08578	0.7
245.08057	1.7
249.05559	0.5
249.09047	0.8
251.06987	0.6
251.09222	0.5
252.07857	0.9
255.10214	0.6
257.08047	0.9
261.11108	0.7
263.09152	28.8
264.07816	0.8
265.08591	1.4
267.10117	3.7
271.05832	0.9
277.08441	0.7
278.13913	0.7
279.10159	1.4
280.07220	0.6
281.08136	0.6
283.09558	0.7
289.07053	2.1
291.06625	0.5
292.07181	0.7
293.07932	1.0
295.09616	1.9
297.11136	2.6
300.09262	0.6
306.08798	0.5
307.09674	1.3
309.10986	0.7
311.12848	0.7
312.08942	3.6
323.09100	0.7
325.10699	3.6
327.12122	1.1
329.13943	1.1
330.10049	1.0
331.11685	1.2
335.08939	0.7
337.10593	1.4
339.12259	2.0
344.12305	0.6
352.09280	0.5
353.10175	1.0
355.11514	1.1
357.13354	6.8
359.14774	0.9
367.11795	2.1
367.15729	0.5
369.13214	1.9
371.14743	1.1
381.13309	0.9
385.12781	13.7
386.13004	0.6
387.14276	2.1
389.15558	0.5
398.17242	0.6
399.14395	3.5
417.15417	20.7
418.15646	0.6
441.11746	2.6
609.23138	1.2
725.24084	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	748.263
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.6
55.01864	2.5
57.03428	0.4
61.02950	0.3
65.03931	4.2
65.90392	0.3
66.04734	0.4
67.05508	1.8
68.99785	0.4
69.03429	1.3
71.04991	0.5
71.21815	0.7
75.04465	2.2
77.03938	0.7
78.04703	1.8
79.05487	4.3
81.03416	1.9
81.07076	0.4
82.04183	1.0
85.02898	4.2
87.71988	0.3
89.03909	0.6
89.06029	0.6
90.77592	0.3
91.05475	8.2
93.03402	6.6
93.07032	2.7
95.04960	5.3
96.05769	0.4
97.02915	0.4
97.06499	2.0
102.04678	0.5
102.70722	0.3
103.05466	16.3
105.03374	1.6
105.04504	0.6
105.07033	6.3
106.04174	12.0
107.04948	9.2
108.02090	0.5
109.06515	1.4
110.03674	1.8
110.06338	0.4
111.04414	1.7
115.05444	4.6
117.03387	0.6
117.07010	3.2
118.04147	3.8
119.04936	2.4
119.08562	0.5
120.05714	0.8
121.06500	14.7
122.03641	0.5
123.04415	4.7
124.05202	2.0
125.05988	7.8
128.06221	0.5
129.07011	1.2
130.04147	1.4
131.04926	19.4
131.08569	0.9
132.05690	1.3
133.02859	1.4
133.06480	7.8
134.01860	0.3
134.03613	2.8
135.04416	1.7
135.08066	1.8
136.05240	0.3
137.02284	0.5
137.05963	4.8
138.03128	0.8
138.06747	0.5
139.03838	0.4
139.07582	2.0
140.04671	0.4
141.06982	0.5
142.02577	0.7
143.04948	0.8
143.05986	0.6
144.05722	1.7
145.02832	1.1
145.06474	5.4
146.03612	0.7
147.04407	3.2
147.08002	2.2
148.05188	10.1
149.05977	24.7
150.06303	0.6
151.02078	0.5
151.03923	2.2
151.07544	2.4
152.04706	1.7
152.08241	0.4
153.05464	3.0
153.09081	7.3
155.05986	0.8
155.07092	0.7
156.05699	0.4
157.06479	1.2
159.04437	0.9
159.08005	2.2
160.05203	1.2
161.05981	9.3
162.01318	1.5
162.03201	0.4
162.06670	0.8
163.02153	0.5
163.03888	2.3
163.07539	19.9
164.04593	0.7
165.05511	1.7
165.06702	0.3
165.09071	0.4
166.02667	0.5
166.06229	0.8
167.07034	56.7
168.07378	1.0
171.04408	0.3
171.06558	3.1
173.06000	5.6
174.06743	0.5
175.03929	1.0
175.07507	3.7
176.04707	2.7
177.05463	18.8
177.08934	0.6
178.06149	0.6
179.01634	1.3
179.03438	0.4
179.06999	1.2
179.08421	0.4
181.04951	67.2
181.08527	15.8
182.05267	0.8
187.07541	4.1
189.05475	1.1
189.07024	0.4
189.09131	0.7
190.00856	1.1
190.06213	1.3
191.07021	86.0
192.07719	2.7
192.09305	0.5
193.04939	1.2
193.08647	2.6
195.06528	4.7
197.08054	0.5
201.05444	2.2
202.06218	0.4
203.07016	2.5
205.06686	0.5
205.08554	3.4
206.07330	0.3
207.06458	1.5
207.08342	0.6
207.10320	1.6
208.01878	1.2
209.08076	100.0
210.08405	2.1
211.04289	0.5
213.05666	0.7
217.05051	0.4
217.08559	2.4
218.07224	0.4
219.06482	0.5
219.08133	0.8
219.10098	6.4
220.07185	0.5
221.06194	0.4
221.08081	1.4
223.04224	17.3
223.07579	0.7
224.04532	0.6
224.08350	0.3
225.07414	1.4
231.06483	1.2
233.05803	0.5
233.08029	5.1
235.07472	1.7
235.09642	5.8
236.08260	0.8
237.05421	0.4
237.09161	0.7
239.10541	0.4
241.08591	0.6
242.20486	0.3
245.08063	1.9
247.07480	0.6
250.06305	0.5
251.06920	0.5
251.09178	0.9
252.07750	0.7
253.08473	0.6
255.10207	0.4
257.08054	0.7
261.11188	0.4
263.09152	24.4
264.07578	0.6
265.08490	0.5
266.09134	0.3
267.10077	3.7
271.09689	0.3
276.07767	0.3
277.08566	0.5
279.10123	1.0
280.07056	0.4
281.07794	0.3
282.09012	0.4
283.09598	0.5
289.07040	1.0
289.10635	0.4
292.07144	0.6
293.08035	0.6
294.08530	0.4
295.09598	0.9
296.10483	0.4
297.11389	1.8
299.08951	0.5
307.09814	1.6
309.07434	0.4
311.12772	0.5
312.09018	3.1
313.10568	0.6
322.08542	0.3
323.08823	0.9
324.09775	0.5
325.10690	2.9
327.12122	1.0
329.10040	0.4
329.13739	0.9
330.10037	1.0
331.11606	0.7
337.10501	1.0
339.12167	1.3
344.12158	0.4
345.13074	0.4
353.10181	0.5
355.11606	0.5
357.13281	6.4
359.14789	1.1
367.11624	2.1
369.13269	1.4
371.14911	1.2
381.13297	0.9
385.12766	13.1
386.12851	0.5
387.14197	1.2
389.15668	0.9
399.14331	3.8
417.15430	19.2
418.15671	0.5
441.11548	1.2
577.20453	0.7
597.23273	0.4
609.22961	1.0
733.19440	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.4284
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.7
54.50771	0.2
55.01879	0.2
55.05507	1.3
57.03435	1.6
61.02922	3.9
63.39185	0.2
63.77580	0.2
65.03917	0.3
67.05495	3.6
69.03423	2.9
69.07056	0.7
69.53281	0.8
69.53717	0.7
71.01351	0.4
71.04987	0.4
73.02912	3.4
73.03303	0.3
79.05483	2.7
81.03407	2.5
81.07048	4.2
82.07384	0.2
83.08604	1.0
85.02898	5.1
86.09722	0.2
87.04469	0.3
91.03957	2.4
91.05482	2.5
93.07040	3.2
95.04952	1.4
95.08598	2.4
97.02888	3.9
97.06500	0.4
98.20784	0.4
99.04450	0.7
101.02351	1.5
103.03971	0.4
105.07037	2.0
107.04951	0.3
107.08586	1.3
109.02877	0.8
109.10141	0.9
111.04437	0.2
111.08067	0.4
113.06013	0.2
119.08566	1.3
119.45042	0.2
121.10101	1.1
123.08038	0.2
123.11768	0.3
127.03921	1.0
129.07040	0.5
129.14220	0.2
131.08604	0.7
133.06493	0.3
133.10132	1.2
135.11702	0.9
137.13268	0.4
145.04974	0.4
145.10190	0.5
146.78860	0.2
147.04416	0.3
147.08092	0.2
147.11662	0.9
149.09619	0.4
149.13249	0.2
157.10126	0.9
165.12807	0.2
166.37936	0.2
175.11218	0.6
184.07367	0.8
185.04248	0.6
193.12192	1.3
203.05379	0.3
211.13345	0.6
243.08322	1.8
251.12595	1.0
261.22256	0.3
285.17059	0.3
307.15115	0.4
335.25891	0.5
469.20419	8.4
470.20789	0.3
513.16577	0.2
519.29315	3.8
747.42810	100.0
748.43036	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	747.4286
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.6
55.01870	0.5
55.05504	1.0
57.03432	1.9
61.02927	5.6
65.03941	0.2
67.05507	4.1
69.03433	3.7
69.07067	1.3
70.62430	0.6
71.04993	0.5
73.02911	3.7
79.05497	3.1
81.03416	2.4
81.07061	4.4
83.08602	0.6
85.02903	6.1
87.04488	0.5
89.66353	0.2
91.03954	4.1
91.05474	2.5
93.07043	3.6
95.04974	0.7
95.08612	3.2
96.98759	0.3
97.02887	5.1
97.06511	0.2
99.04457	0.7
101.02388	1.8
105.07041	1.6
105.44228	0.2
107.07990	0.2
107.08594	1.5
109.02911	0.7
109.06528	0.4
109.10156	1.3
111.08102	0.4
114.57541	0.2
115.03927	0.4
117.07025	0.5
119.08618	1.2
121.10125	1.8
123.11732	0.3
127.03904	1.7
129.05556	0.3
129.06985	0.4
131.08554	1.0
133.10139	1.0
135.11720	0.8
145.04956	0.4
145.10225	0.4
147.11687	0.5
149.09604	0.3
149.13278	0.3
157.10156	0.7
159.11665	0.3
174.54628	0.3
185.04237	0.6
193.12218	0.5
243.08395	1.8
251.12654	1.2
261.22198	0.2
335.25824	0.9
349.38135	0.2
469.20383	3.3
491.05426	0.2
519.29266	7.6
747.42871	100.0
748.43121	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	745.4128
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.5
55.01865	0.4
55.05497	0.9
57.03433	1.3
57.07104	0.2
57.27559	0.2
61.02925	3.2
65.03936	0.3
67.05506	3.1
69.03421	1.9
69.07060	1.0
71.01356	0.3
71.04984	0.3
73.02922	2.1
79.05494	3.5
81.03417	1.4
81.07053	4.8
83.04986	0.4
83.08611	0.8
85.02899	3.8
87.04469	0.5
89.59267	0.2
91.03951	1.8
91.05465	1.4
93.07037	3.8
95.04942	0.4
95.08606	3.2
97.02895	2.8
97.06515	0.3
97.40604	0.3
99.04455	0.9
101.02388	1.3
105.07051	1.3
107.04943	0.6
107.08590	2.7
109.02864	0.6
109.06484	0.3
109.09509	0.3
109.10135	1.3
115.03923	0.4
117.07037	0.6
119.08586	1.2
121.10153	1.4
123.11664	0.3
127.03919	0.7
131.08546	0.5
133.10172	0.6
135.11694	3.6
137.13260	0.6
145.10144	1.6
147.04466	0.4
154.55394	0.3
163.11156	3.8
173.30951	0.2
181.12268	0.5
185.04266	0.5
219.09984	0.5
227.12788	2.9
243.08432	2.7
249.10989	9.7
277.95853	0.3
305.13556	2.0
313.25308	0.3
322.48193	0.3
335.25882	0.3
364.30936	0.3
372.56418	0.3
467.18872	10.7
468.19205	0.5
519.29297	5.3
583.36304	0.5
710.03857	0.3
745.41284	100.0
746.41663	6.1
751.34802	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.413
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.5
54.78539	0.4
55.01870	1.1
55.05507	2.4
56.27751	0.5
57.03445	2.5
57.03669	0.4
57.07071	0.8
61.02929	5.9
67.05504	5.8
69.03429	3.7
69.07063	1.9
71.04979	0.6
71.61972	0.6
73.02908	4.0
79.05499	4.5
81.03406	4.3
81.07052	8.0
83.01323	0.5
83.04981	2.0
83.08629	2.7
85.02901	6.1
86.09695	2.2
87.04462	0.6
91.03954	3.6
91.05479	3.6
93.07034	5.1
95.04970	2.0
95.08595	4.8
97.02892	5.3
97.06512	0.5
99.04445	1.1
101.02382	1.7
103.03959	0.5
105.06363	0.4
105.07050	1.5
107.04921	0.6
107.08589	3.8
109.02869	1.1
109.06513	0.7
109.10156	1.8
110.56020	0.5
117.07006	0.9
119.04942	0.4
119.08586	1.5
121.10153	1.5
123.08096	0.8
123.11720	0.7
124.99980	1.1
125.09630	0.4
127.03938	2.1
131.08598	0.9
131.30624	0.4
132.54541	0.5
133.10117	0.9
135.11708	2.9
137.13260	1.2
145.10133	1.9
147.04420	1.0
149.13277	0.6
163.11115	2.7
184.07332	6.2
185.04242	1.0
193.12321	1.2
209.11714	0.6
211.13358	1.3
243.08490	3.0
249.11000	0.8
283.15402	0.8
285.17099	1.9
286.17319	1.3
335.25934	1.0
337.27368	2.6
338.27722	2.2
416.42133	0.5
467.18890	9.7
467.25269	0.7
519.29547	4.8
530.39948	0.6
534.18341	0.4
547.39941	1.7
548.40247	5.4
745.41260	100.0
746.41632	5.1
757.85291	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.4129
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.6
54.35655	0.3
55.05504	1.0
57.03433	1.3
61.02924	5.1
61.71112	0.3
65.03937	0.5
67.05502	4.9
69.03419	3.4
69.07056	1.6
71.01342	0.3
71.04986	0.7
71.60634	0.5
73.02914	3.7
79.05487	3.3
80.37501	0.3
81.03414	2.0
81.07054	6.9
83.04964	0.6
83.08612	0.9
85.02905	4.9
86.09706	1.3
87.04491	0.4
91.03944	3.5
91.05465	2.4
93.07047	3.9
95.04969	0.6
95.08604	3.6
97.02871	5.2
97.06543	0.4
99.04468	1.1
101.02376	2.1
103.03923	0.6
105.07051	1.3
107.04949	0.7
107.08584	2.5
109.02872	0.7
109.06535	0.5
109.10120	1.8
115.04001	0.4
117.07025	0.5
119.08608	1.4
121.10137	1.9
121.88134	0.3
123.08098	0.5
124.99983	0.5
127.03912	1.5
131.08627	0.4
133.10123	0.7
135.11685	2.0
137.13298	0.9
145.10127	1.0
147.04410	1.1
147.11653	0.5
163.11197	0.8
184.07332	2.4
203.05275	0.5
243.08475	1.4
249.11040	0.7
304.00198	0.4
335.25800	0.8
336.26074	0.4
384.91916	0.3
389.80618	0.4
445.29541	0.4
467.18890	3.6
519.29315	9.0
520.29785	0.4
745.41241	100.0
746.41541	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	745.3063
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.9
55.05515	0.3
57.03430	0.5
57.07064	1.3
61.02938	0.5
64.17029	0.3
65.03935	0.4
67.05502	4.0
69.03429	1.1
69.07065	1.2
70.17686	1.4
73.02913	0.9
77.04907	0.3
79.05492	5.4
81.03431	0.3
81.07055	100.0
82.07390	0.6
83.04973	0.3
85.02909	2.9
86.09684	0.5
86.82410	0.3
91.05475	0.7
93.07015	0.8
95.04968	0.4
95.08606	13.0
97.02903	2.1
107.04950	4.1
107.08591	0.4
109.10155	1.1
110.10406	0.3
115.03929	0.6
119.04932	1.1
121.02872	3.9
127.03948	0.7
133.05025	0.4
135.04430	1.5
135.44191	0.3
137.13251	52.6
138.13603	0.4
139.26894	0.3
145.04970	0.6
147.04401	4.8
163.03891	1.5
167.08585	0.5
175.03908	4.6
177.06998	0.4
179.03447	0.3
185.16298	0.3
193.04958	12.5
195.08051	1.3
203.03397	6.1
205.06453	1.7
221.04431	0.6
223.07553	3.7
225.09109	0.4
233.06001	1.9
237.05472	0.5
242.56552	0.3
251.07071	4.6
261.05389	0.6
269.08075	0.8
279.06512	24.7
280.06821	0.7
297.07565	24.7
298.07986	0.5
315.08615	45.3
433.20117	0.6
459.12805	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.4131
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.7
55.01867	0.5
55.05508	1.4
57.03440	1.7
61.02929	5.9
65.03955	0.3
67.05505	4.8
69.03432	3.3
69.07082	1.2
71.01348	0.3
71.05014	0.5
71.58403	0.5
73.02917	4.0
79.05501	3.1
81.03427	1.0
81.07057	6.4
83.05000	0.4
83.08616	0.7
85.02908	5.2
86.30390	0.3
87.04485	0.4
91.03948	2.6
91.05492	1.8
93.07047	4.6
95.04967	0.6
95.08610	4.9
97.02898	4.4
99.04483	0.9
101.02390	1.9
103.03962	0.4
105.07019	1.3
107.04981	0.4
107.08601	3.0
109.02888	0.7
109.10177	1.2
117.07019	0.7
119.08595	1.1
121.10146	2.0
127.03905	1.2
131.08597	0.5
133.10190	0.5
135.11700	2.4
137.13300	0.4
145.04948	0.3
145.10152	0.9
147.04456	0.3
147.11797	0.3
149.13356	0.3
163.11183	1.8
164.87656	0.2
184.07426	0.5
185.04250	0.3
190.62187	0.3
227.12805	1.2
243.08453	2.6
249.10986	11.9
301.27167	0.3
305.13702	1.1
335.25815	1.0
381.04608	0.3
467.18939	6.0
468.19449	0.5
519.29309	8.8
519.37158	0.5
520.29565	0.5
745.41327	100.0
746.41583	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	745.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.6
55.01862	1.2
55.05505	0.6
57.03444	3.7
59.04986	0.5
67.01838	0.4
69.03423	0.7
69.99534	1.3
69.99947	1.0
70.06574	0.6
71.04992	20.9
72.08134	0.5
73.02939	0.5
75.04448	0.6
77.03935	0.4
79.05485	0.7
79.74393	0.4
81.03419	0.9
83.04982	0.6
85.02905	24.6
87.04449	1.0
87.30281	0.4
90.10365	0.4
91.29862	0.4
95.04951	1.5
97.02892	0.9
103.03952	0.9
107.04952	100.0
108.05276	0.7
109.02917	1.0
111.04457	0.8
121.02857	1.4
121.06526	1.2
122.03638	0.9
123.04419	0.6
129.05464	4.5
131.04955	1.6
137.05978	15.8
138.05487	0.7
139.03868	0.8
145.06490	1.1
147.04396	1.8
147.06517	0.9
149.02345	0.5
149.05965	1.7
151.03902	1.5
161.05998	1.2
163.03899	4.1
165.05487	0.4
167.07048	1.5
171.04404	0.7
171.38747	0.4
173.05972	2.0
175.03912	3.2
175.07521	0.4
177.05492	1.7
181.04909	4.3
185.06062	1.1
186.84962	0.4
187.03951	2.0
189.05440	2.1
191.03459	0.9
191.07060	0.6
191.08546	2.8
192.08931	0.7
193.04936	3.3
201.05432	1.9
203.03340	0.6
203.07100	0.9
205.04961	5.1
211.05943	0.8
213.05539	1.0
217.04964	5.2
219.06499	1.6
219.08340	2.5
220.08475	0.9
221.04478	1.6
223.05994	2.3
227.07169	1.2
229.04929	3.5
231.06520	2.3
233.04344	1.0
235.05991	5.5
235.09621	0.5
237.05457	0.6
241.05011	1.6
243.06578	1.2
245.08191	0.6
247.05965	5.2
251.10681	3.0
252.10925	0.9
253.05099	0.5
255.06473	1.5
259.05997	8.3
261.07614	0.5
267.06714	0.5
268.13281	2.0
269.13626	0.9
271.06082	3.1
273.07654	1.5
277.07071	3.1
283.05887	2.6
285.07632	1.4
287.05704	0.6
287.09064	1.0
289.07184	2.4
297.07709	1.1
299.09238	1.5
301.07089	5.1
311.05576	0.4
311.09125	2.0
313.07101	2.5
317.10321	1.4
319.08014	0.8
323.09296	1.3
325.07126	1.9
327.08636	1.2
329.10168	4.5
330.31949	0.5
341.10196	5.5
343.08051	1.8
347.09009	0.8
353.10190	5.1
355.08054	1.0
357.13373	1.2
359.11380	2.2
365.10144	5.3
369.09747	0.4
377.10031	2.1
383.11258	7.8
389.10205	1.4
395.11261	7.0
401.12546	0.6
407.11118	7.6
410.77191	0.5
413.12256	2.3
419.11115	5.2
425.12317	5.3
431.13461	10.2
437.13596	0.6
443.13397	6.6
449.12204	5.0
450.12042	0.5
461.14447	10.5
467.13324	4.9
473.12280	0.5
475.86871	0.5
479.13922	2.4
485.14386	8.0
487.16074	0.6
491.13367	1.8
497.14478	5.5
509.14465	3.4
511.16354	0.8
515.15546	1.8
527.15460	7.2
545.16547	7.4
549.19666	7.9
556.12964	0.6
563.17615	10.1
581.18433	0.7
735.40399	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4729
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.4
55.01856	1.9
55.05509	11.0
57.03433	7.2
57.07054	0.7
61.02915	1.7
62.00026	0.5
65.03931	1.0
67.05498	28.0
69.03408	2.2
69.07060	6.1
69.59992	4.2
70.10723	0.7
71.04978	3.0
79.05487	19.7
81.03410	31.3
81.07050	28.9
83.04984	8.0
83.08132	1.1
83.08612	14.2
85.02899	13.3
85.06518	1.2
91.05471	17.3
93.07038	18.7
95.04954	12.6
95.08601	17.8
96.08877	0.5
97.02888	2.3
97.06506	2.4
97.10155	2.0
99.08099	0.8
105.07020	11.3
107.04964	2.9
107.08590	10.4
109.06509	2.6
109.10149	7.0
111.04435	1.7
111.08062	5.3
113.05976	1.6
117.06995	2.0
119.08576	11.0
121.06502	1.0
121.10140	9.7
123.08037	0.7
123.11707	2.6
125.09624	1.2
129.06985	5.0
131.08542	7.6
133.06500	1.9
133.10129	7.4
135.11662	4.8
137.09627	0.8
137.13245	1.1
142.07811	0.9
145.10138	2.6
147.08055	2.3
147.11684	9.9
149.09628	3.1
149.13272	1.5
151.11140	0.8
157.10117	7.1
159.11705	1.3
161.13248	1.8
163.11145	0.7
163.14778	0.8
165.12785	1.6
173.13272	1.9
175.11182	8.5
175.14761	0.6
184.07349	2.2
185.13310	0.7
193.12224	26.5
199.14694	0.8
211.13272	41.8
238.22301	0.6
243.21121	1.1
261.22134	3.9
267.15918	7.4
283.15433	1.4
285.16946	38.1
317.24628	0.8
322.94904	0.7
335.25778	40.1
336.26291	2.2
429.21555	0.8
435.32434	1.4
453.33847	1.2
471.34210	0.7
518.11749	0.7
527.37274	8.3
545.38312	100.0
546.38660	3.9
652.97595	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.3951
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39985	0.1
55.01877	0.1
65.53555	0.1
69.03409	0.2
69.26038	1.3
71.04966	0.2
74.27564	0.1
81.03398	0.2
81.07038	0.3
85.02907	0.3
97.02863	0.1
100.36022	0.1
102.92787	0.1
105.01886	0.2
107.04921	0.2
109.02874	0.2
127.03916	0.2
131.04939	0.1
137.05988	0.8
147.04419	0.2
152.06178	0.1
163.03894	0.2
163.07486	0.1
165.07014	0.2
167.07039	0.2
178.07729	1.3
181.05016	0.1
183.08099	0.1
189.06989	0.6
190.07770	0.7
191.08551	0.4
192.09297	0.2
193.10005	0.1
195.07991	0.1
202.07834	0.5
203.08612	0.3
205.06529	0.5
206.05479	0.1
206.07253	2.4
207.08028	0.1
208.08849	0.9
209.09589	0.2
217.06520	0.4
218.07249	1.6
219.08124	0.8
219.09973	0.2
220.08780	0.6
221.09604	16.9
222.06769	0.2
222.09958	0.5
223.11154	1.5
230.07207	0.1
231.04892	0.1
231.08005	0.1
233.09579	1.5
234.06767	3.8
235.07556	0.6
236.08266	1.0
237.09059	0.2
246.06770	0.4
247.07603	0.3
248.08217	0.7
249.09103	16.1
250.09422	0.4
251.10709	0.8
252.07793	0.2
259.08429	0.1
261.09042	0.6
262.09836	0.3
263.07074	0.3
264.07794	1.5
277.08640	0.3
278.09348	0.2
279.10144	100.0
280.10492	2.1
287.05557	0.2
296.12799	49.0
297.13147	0.9
387.14337	0.4
413.53271	0.1
744.25391	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4729
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.1
55.01870	3.4
55.05259	1.1
55.05509	19.3
57.03436	15.2
57.07058	1.1
58.03784	0.7
61.02922	3.5
65.03928	2.4
67.05502	47.5
68.05830	0.7
69.03414	4.6
69.07071	13.7
69.87218	4.4
71.01363	1.0
71.04988	5.0
71.22491	0.7
73.02921	1.1
79.05490	38.6
81.03416	49.2
81.07054	55.5
83.04978	14.2
83.08616	22.9
85.02901	24.7
85.03423	1.0
85.06542	2.2
91.03941	1.1
91.05477	34.6
93.07040	40.3
95.04965	24.9
95.08604	31.8
97.02882	5.5
97.06498	5.2
97.10149	4.8
98.21385	1.2
99.04476	0.7
99.08091	1.1
105.07028	22.4
107.04966	6.4
107.08594	17.9
109.06520	4.2
109.10146	12.0
111.04453	2.1
111.08076	9.6
113.06005	1.8
115.05445	1.0
117.07035	4.5
119.08578	20.3
121.06518	1.8
121.10139	16.8
123.08067	3.0
123.11693	3.9
125.09630	1.5
129.07005	9.7
131.08565	15.6
133.06482	1.9
133.10126	14.3
135.11682	7.9
137.09616	1.9
137.13251	2.0
141.07030	0.6
142.07793	2.0
145.10109	5.9
147.08032	4.1
147.11688	16.1
148.34174	0.7
149.09604	5.7
149.13251	4.0
151.11185	0.7
157.10127	12.5
159.11699	2.8
161.13298	2.8
163.11177	1.0
163.14827	1.8
165.12767	2.6
173.13313	2.4
175.11183	12.4
175.14801	1.3
187.14796	1.8
193.12234	42.9
194.12540	1.2
211.13284	68.6
212.13655	1.0
227.12820	0.8
243.21030	3.2
261.22150	10.0
267.15891	14.4
285.16953	78.0
286.17325	2.6
301.24890	0.8
317.24802	3.0
335.25787	73.5
336.26208	3.2
417.31766	1.0
435.32645	2.1
450.50742	0.7
453.33615	2.8
471.34500	0.9
473.31534	0.8
512.52850	0.7
527.37354	14.1
527.44543	1.4
545.38367	100.0
546.38837	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	742.4729
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.2
55.01833	1.7
55.05505	13.1
55.05751	0.5
57.03433	11.9
57.07037	1.4
61.02916	3.2
65.03886	1.9
67.05500	41.7
69.03085	0.3
69.03419	3.5
69.07063	10.2
69.07413	0.4
69.98961	1.6
71.01305	0.4
71.04985	3.7
73.02875	1.1
79.05488	31.1
81.03413	36.9
81.07050	42.6
82.25874	0.4
83.04494	0.6
83.04969	9.4
83.08611	15.7
85.02897	16.1
85.06490	1.7
85.90128	0.4
91.03905	1.2
91.05472	26.0
93.07035	32.3
95.04962	18.1
95.08598	28.1
97.02874	3.2
97.06507	3.1
97.10165	4.1
99.04431	0.4
99.08044	1.4
103.05442	0.4
105.04504	0.4
105.07019	21.1
107.04957	3.7
107.08586	16.0
109.06517	3.8
109.09473	0.8
109.10145	10.2
111.04379	1.3
111.08070	7.7
113.05959	1.3
115.05401	0.6
117.07021	4.4
119.08571	17.7
121.06470	1.4
121.10138	15.2
123.08057	2.8
123.11688	3.7
125.09584	1.4
126.02235	0.4
127.07506	0.6
128.06175	0.7
129.06990	6.6
130.54485	0.4
131.08565	12.0
133.06519	2.3
133.10123	11.5
135.07970	0.5
135.10690	0.5
135.11673	7.3
137.09566	1.7
137.13228	0.8
142.07719	1.4
143.08574	0.5
145.10103	5.8
147.07968	1.7
147.11668	12.1
149.09622	3.9
149.13248	3.6
151.11177	0.7
157.10106	9.9
159.11661	3.1
161.13254	2.3
163.11192	0.9
163.14755	1.3
165.12720	2.9
173.13226	3.4
175.09763	0.5
175.11177	8.5
175.14748	1.2
177.16225	0.5
187.14790	1.6
193.12227	29.1
201.16309	0.5
211.13271	36.1
227.12746	1.0
243.21002	2.4
249.14917	0.4
261.22147	9.0
262.22412	0.5
267.15897	10.7
285.16934	45.3
286.17014	0.7
301.25104	0.6
317.24854	2.1
323.03268	0.4
335.25769	79.2
336.26038	1.8
404.76343	0.5
435.32703	1.9
452.58810	0.5
453.33502	1.7
471.34656	1.0
473.69852	0.4
509.36371	0.5
527.37274	12.8
545.38336	100.0
546.38507	3.3
563.39264	0.6
628.99884	0.5
689.40631	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4734
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	2.1
54.07423	0.7
55.01868	1.2
55.05511	11.1
57.03439	8.3
57.07067	1.8
57.31818	0.8
61.02914	2.7
62.47288	0.7
65.03930	1.4
67.05505	27.6
69.03429	2.6
69.07059	7.3
70.10846	1.4
70.11237	2.0
71.04981	2.9
73.02934	0.8
79.05060	1.3
79.05492	19.2
81.03419	28.3
81.07057	31.0
83.04971	5.9
83.08624	14.1
85.02904	11.4
85.06555	0.8
86.09692	1.5
91.03979	1.3
91.05478	15.9
93.07045	23.1
95.04965	11.7
95.08610	20.0
95.09148	0.6
97.02880	2.4
97.06518	2.7
97.10165	2.3
104.40203	0.7
105.07038	13.1
107.04928	2.4
107.08591	11.6
109.06512	2.8
109.10155	6.5
111.08070	6.1
113.06023	1.6
117.07010	2.3
119.08572	10.2
121.06529	0.9
121.10133	9.8
123.08064	1.2
123.11699	2.1
125.00026	0.9
129.07008	4.3
131.08574	7.3
133.06503	2.0
133.10136	6.5
135.11664	5.6
137.13213	1.2
141.05623	0.7
145.10127	4.0
147.08086	1.3
147.11694	8.6
149.09612	3.0
149.13260	2.0
153.01004	0.8
157.10123	6.4
159.11681	1.3
161.13235	1.9
163.11212	1.7
164.11603	0.9
165.12682	0.9
173.13240	1.2
175.11224	6.9
184.07370	5.5
187.14864	0.8
193.12241	19.2
193.13852	1.3
211.13281	26.6
227.12808	1.6
243.21054	1.9
245.85233	1.0
261.22137	4.8
261.24561	0.7
267.15903	6.2
283.15341	1.4
284.15753	1.0
285.16953	30.2
317.24796	1.0
335.25793	57.9
336.26108	3.5
337.09869	0.9
337.26508	1.2
352.01050	0.8
398.74429	0.7
435.32510	1.0
471.34766	1.2
504.01239	0.9
527.37329	7.0
545.38361	100.0
546.38715	3.9
557.70892	1.0
624.15314	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.2233
Annotation	Kaempferol-3-Galactoside-6''-Rhamnoside-3'''-Rhamnoside
Peak:m/z	Relative Intensity
53.03929	0.2
55.01862	0.3
55.05518	0.4
57.03433	1.5
61.02913	0.6
65.03973	0.2
68.99802	0.5
69.03433	1.7
70.15284	0.6
71.01353	0.3
71.04992	12.1
73.02911	1.5
75.04471	0.6
81.03416	0.5
83.04979	3.1
85.02904	17.4
87.04469	0.4
92.46565	0.2
95.04955	0.6
97.02911	1.0
99.04476	0.7
107.04972	0.4
109.02864	0.6
111.00798	0.4
111.04440	2.3
113.06027	0.2
116.84601	0.2
117.05468	0.5
121.02857	1.3
127.03912	0.6
129.05475	4.5
129.43088	0.2
133.02869	0.3
136.33110	0.2
137.02383	0.4
145.04950	0.5
147.04414	0.3
147.06490	1.6
153.01823	1.7
153.05441	0.6
159.06538	0.4
163.03911	0.5
163.06038	0.7
165.01828	1.2
171.06567	0.2
183.02879	0.7
185.05991	0.3
201.07573	0.3
204.70866	0.2
213.05484	0.8
231.06537	0.5
239.09131	0.8
241.04971	0.6
258.05219	0.6
259.05939	0.4
275.11176	0.4
287.05490	100.0
288.05807	2.0
299.05475	0.5
329.06601	0.7
353.06601	0.3
393.46121	0.2
397.09055	0.3
433.11279	0.7
449.10828	2.0
455.60046	0.2
667.98926	0.2
730.28265	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.3252
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	12.7
57.03428	15.5
57.07064	8.8
61.02927	25.8
66.06519	3.9
67.05505	14.5
69.03426	15.8
69.07057	9.5
70.06586	4.3
71.04994	8.6
71.05774	4.1
71.59454	7.0
73.02927	20.6
79.05482	15.2
81.03398	24.3
81.07048	31.2
83.01119	5.4
83.04967	4.8
83.08602	5.4
85.02890	36.7
87.04419	4.2
91.03957	24.2
91.05474	10.0
93.07020	10.1
95.04961	6.0
95.08597	10.1
97.02876	24.4
97.10160	4.2
99.04450	6.2
101.02361	6.5
105.06989	4.6
107.08585	15.8
109.10143	7.7
119.04969	5.7
119.08490	6.6
121.10123	7.7
123.04243	8.3
123.11716	4.9
125.09670	7.3
127.03918	13.6
129.05482	12.6
133.10129	6.2
135.11708	6.2
137.13266	10.5
147.04387	9.3
147.11754	6.6
148.82341	4.6
163.03893	4.5
167.10680	5.5
175.11136	5.3
181.04727	13.5
185.04250	33.0
193.12308	6.7
195.06165	5.3
199.05804	10.9
199.13272	6.3
201.03674	11.9
201.14830	4.2
208.06799	3.9
211.13364	6.0
211.96159	5.2
221.11551	5.3
227.05286	5.3
228.74535	3.9
241.06921	7.6
243.06229	4.9
243.08331	26.2
251.12561	16.9
265.13922	6.1
277.14111	18.7
289.13876	4.7
291.15747	8.8
301.08948	93.2
307.15143	5.9
315.10349	24.0
321.16824	4.8
327.10373	6.8
329.12027	10.6
341.12189	5.4
343.13660	6.2
349.16241	11.5
355.13791	7.8
357.11456	5.3
360.10162	4.6
367.17276	23.8
369.15005	5.5
371.16861	11.7
373.11057	52.1
373.38507	5.1
383.16647	27.8
385.18311	75.6
387.12637	12.2
392.09259	7.2
395.16696	19.0
401.14059	10.0
405.25940	7.3
413.17850	8.5
425.17758	6.2
429.17316	19.5
433.25684	27.5
439.19196	23.4
441.20782	16.4
443.18839	44.1
444.20218	4.6
451.20190	6.8
451.26730	11.9
457.20682	22.3
469.20444	92.4
471.22266	6.1
479.26041	16.9
483.22299	8.7
484.18655	6.6
485.19788	49.8
487.21375	8.9
499.21301	44.7
500.22168	7.0
511.21356	13.1
513.23798	7.4
527.20447	6.2
527.28125	16.7
528.21637	74.5
541.22290	49.9
553.29590	7.7
555.24030	8.9
569.28082	28.4
581.29303	6.1
583.30969	23.5
595.30811	5.5
597.26855	6.1
611.30402	86.5
612.31061	100.0
625.32013	11.5
650.32227	5.3
651.33447	23.1
653.31726	35.0
656.23376	4.6
667.32861	45.1
668.33118	13.7
678.32263	10.0
679.32672	32.1
695.32025	6.6
696.33136	20.4
742.31995	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	741.2022
Annotation	Kaempferol 3- [ 6'''-p-coumarylglucosyl- (1->2) -rhamnoside ]
Peak:m/z	Relative Intensity
53.03929	0.1
55.05513	0.1
57.03420	0.5
61.97316	0.1
65.03929	1.1
68.99795	0.2
69.03427	1.0
69.89356	0.1
69.96490	0.3
69.96898	0.3
71.02798	0.1
71.04989	3.0
72.43017	0.1
75.04455	0.1
78.80704	0.1
81.03416	0.8
81.07068	0.1
83.04972	0.4
83.08604	0.1
85.02901	3.7
87.04455	0.1
91.05476	7.7
95.28909	0.1
97.02881	0.3
98.21362	0.2
99.04443	0.2
105.03398	0.1
105.07025	0.1
106.44836	0.1
107.04955	0.3
109.02872	0.5
111.00793	0.3
111.04435	0.4
119.04938	20.8
120.05239	0.3
121.02874	0.8
127.03910	0.5
129.05493	0.8
133.02831	0.1
134.83327	0.1
135.04401	0.1
137.02312	0.2
141.07002	0.1
145.06419	0.1
147.04401	100.0
148.04710	1.0
151.03891	0.2
153.01808	1.2
157.06554	0.2
163.03900	0.3
163.42201	0.1
165.01796	0.5
165.05482	0.9
167.07011	0.1
183.02881	0.4
185.06006	0.1
189.05525	0.2
201.05566	0.2
203.34349	0.1
213.05548	0.5
223.75613	0.1
231.06532	0.3
235.29025	0.1
239.06900	0.1
241.04977	0.2
246.10107	0.1
258.05219	0.4
259.05936	0.2
259.44696	0.1
263.37445	0.1
275.09155	0.7
287.05481	46.7
288.05777	0.7
291.08572	1.6
293.10211	0.5
296.12711	0.1
299.05655	0.2
309.09644	2.1
329.06506	1.0
353.06561	0.1
379.25012	0.1
392.22482	0.1
395.07327	0.1
397.25961	0.2
398.87314	0.1
420.82474	0.1
433.11142	0.2
449.10910	0.1
493.12402	0.1
595.14276	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4577
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17622	0.9
53.03939	2.6
53.68473	0.9
53.80208	0.8
54.24665	0.8
55.01871	5.9
55.05262	1.3
55.05510	17.4
57.03439	14.3
57.07059	2.9
59.04984	2.8
59.87515	0.8
61.02924	5.1
65.03929	2.2
67.05505	40.1
69.03401	1.8
69.06772	1.0
69.07074	10.4
69.30257	6.1
69.30686	3.2
71.04977	3.6
71.08629	1.0
73.02881	0.9
78.03388	0.9
79.05492	32.7
81.03430	9.0
81.07056	42.0
82.07400	1.5
83.01340	5.3
83.04981	10.2
83.08623	14.3
85.02911	7.3
85.06548	2.0
86.09692	1.2
91.03956	1.9
91.04899	1.1
91.05476	21.8
91.67805	0.8
92.05824	1.8
93.07043	40.1
95.04963	6.5
95.08605	31.3
96.08972	0.9
97.02892	3.9
97.06535	5.0
97.10163	3.3
99.04482	2.3
105.07023	14.4
105.85962	1.0
107.04960	5.5
107.08593	23.9
109.06491	4.5
109.10162	13.5
111.04424	1.8
111.08083	1.6
117.07024	9.7
119.08591	11.9
121.06493	3.2
121.10139	14.0
123.08086	6.7
123.11723	4.4
124.99965	1.4
125.06010	1.2
125.09622	3.1
129.06992	2.2
130.07794	1.3
131.08571	7.6
133.10135	6.2
135.08037	2.4
135.11688	19.6
137.09636	1.2
139.39525	0.9
143.08540	2.1
145.10115	15.0
147.08031	2.6
147.11681	4.0
149.09596	1.2
149.13240	5.5
153.12764	2.2
155.08577	1.7
159.11702	3.7
161.13242	2.3
163.11211	18.2
163.14801	2.3
173.09604	3.5
173.13272	3.0
175.14772	1.3
181.12233	3.0
182.18904	0.8
184.07356	4.0
187.14885	2.3
189.11110	1.3
191.10722	2.3
193.12259	1.3
201.16411	1.0
209.11763	6.9
227.12787	10.2
243.21078	5.0
259.20654	2.2
261.22189	12.9
267.15945	2.0
283.15405	100.0
284.15689	3.5
298.16449	1.4
299.23730	3.4
317.24823	5.0
333.24210	1.7
335.25806	71.7
336.26144	5.1
433.30905	2.6
451.32040	2.7
469.32990	3.0
480.25784	1.0
515.37585	1.6
525.35730	4.3
533.38159	1.1
543.36823	44.5
544.37238	2.9
556.29633	1.0
560.38226	2.9
561.37891	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	741.2021
Annotation	Kaempferol 3-rhamnosyl-(1->6)(2''-p-coumarylglucoside)
Peak:m/z	Relative Intensity
51.86446	0.1
53.03934	0.1
55.05505	0.1
57.03444	0.4
65.03927	0.8
69.03432	0.7
69.96896	0.5
70.06567	0.1
70.47022	0.1
71.01346	0.1
71.04991	3.4
73.02902	0.2
75.04459	0.1
81.03412	2.2
83.04964	0.3
85.02898	4.2
90.61591	0.1
91.05474	6.0
92.05796	0.1
95.04985	0.2
97.02895	0.6
99.04448	0.2
107.04958	0.2
109.02863	0.9
111.00811	0.2
111.04430	0.3
119.04935	18.1
120.05253	0.2
121.02868	0.6
123.04428	0.1
127.03922	0.6
129.05486	0.8
133.02808	0.2
133.06435	0.1
137.02295	0.1
147.04399	100.0
148.04745	1.3
149.05907	0.1
153.01785	0.6
161.05980	0.1
165.01839	0.3
165.05463	4.6
183.02919	0.2
185.06007	0.1
213.05511	0.2
231.06487	0.1
237.07439	0.1
241.05011	0.2
249.07355	0.1
257.08096	0.2
258.05249	0.2
259.05753	0.1
273.07501	0.2
275.09103	0.3
287.05478	19.8
288.05823	0.4
291.08646	3.4
293.10184	0.5
297.18314	0.1
299.05692	0.1
309.09662	4.4
311.05399	0.1
329.06595	0.8
365.75763	0.1
379.08170	0.1
397.08929	0.1
433.11142	0.1
437.13855	0.1
438.61691	0.1
454.34253	0.1
455.15143	0.1
595.15051	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	741.2022
Annotation	Catechin-(4alpha->8)-catechin-3-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
53.03940	0.9
55.01645	0.3
55.01862	1.9
57.03414	1.1
61.02918	1.0
63.02391	0.3
65.03932	0.7
67.01853	0.6
67.05505	0.7
68.99786	5.2
69.03428	2.6
69.77961	0.8
69.78368	1.7
71.01341	0.3
71.04984	1.2
73.02905	0.7
79.05467	0.5
81.03413	3.3
83.04970	0.7
85.02415	0.7
85.02900	8.7
89.03911	1.1
91.03938	0.5
91.05486	1.0
93.03413	0.8
95.04968	1.7
97.02898	3.0
99.04462	1.2
103.05449	0.8
105.03388	0.6
107.04958	3.4
109.02860	2.9
111.00786	3.2
111.04446	5.6
115.05466	0.4
115.28207	0.3
117.03381	0.6
119.04941	1.7
121.02870	1.2
123.04424	43.7
123.42422	0.4
124.04720	0.4
127.03912	100.0
128.04280	1.0
129.07007	0.7
131.04932	1.4
135.04411	33.1
137.02339	6.2
137.03380	0.5
137.05983	1.0
139.03896	58.5
140.04242	0.6
141.06978	0.5
143.04887	1.0
145.02824	0.6
145.04944	0.9
145.06514	0.9
147.04404	6.8
149.02333	3.8
149.06000	2.4
151.03899	16.3
153.06950	0.8
155.03397	1.5
155.04793	0.7
157.06461	0.7
159.04369	2.2
161.05997	4.2
163.03902	45.8
164.04285	0.5
165.01842	0.9
165.05479	4.9
167.03407	5.9
169.05118	0.8
169.06496	1.1
173.05977	4.2
175.03893	3.0
175.07446	0.6
177.01941	0.5
177.05450	3.7
179.03406	3.6
181.04980	2.2
181.06500	1.0
183.04448	1.2
185.05980	1.4
187.03883	7.2
187.07516	0.8
189.05525	2.6
191.03389	12.4
193.04977	3.0
197.05949	3.2
199.07451	0.5
200.04639	0.4
201.05470	8.1
203.03378	6.8
203.07045	2.3
205.04941	4.7
207.06505	1.9
209.06059	0.5
213.05498	2.1
215.03407	1.5
215.07018	3.5
217.04871	2.1
219.06558	0.8
223.06075	0.4
225.05458	1.6
225.23376	0.3
227.07053	0.7
229.04962	10.0
231.06488	2.4
233.04459	5.5
237.03024	0.5
237.05536	1.2
241.04904	2.2
243.06503	5.8
245.04446	4.5
247.06009	35.9
248.06284	0.7
251.05426	2.4
253.04944	1.6
255.06512	3.3
257.04449	11.5
258.05334	0.9
259.05994	10.0
261.07675	2.9
265.04883	1.0
269.04395	2.3
271.06009	23.9
271.09149	0.9
272.06357	0.9
273.07584	6.6
275.05475	13.0
276.05933	0.5
283.06000	12.0
283.09024	0.8
284.06329	0.4
285.07547	2.0
287.05475	15.8
288.05963	0.6
289.07062	53.7
290.07376	1.2
291.08612	8.7
295.06000	1.1
297.07626	0.8
299.05493	4.2
301.07031	18.2
302.07541	0.5
303.08649	2.9
311.05392	0.8
313.07089	1.8
315.08594	1.1
325.07037	1.2
331.08167	0.7
333.09723	1.0
337.06955	0.5
343.08163	0.7
355.08136	0.6
367.07971	0.6
391.10373	1.9
409.09143	20.7
410.09354	0.6
411.10779	2.8
419.09708	0.5
421.09100	1.0
427.10266	17.9
428.10202	0.5
433.11346	0.7
435.10876	1.4
437.12585	0.5
439.10403	1.2
451.12140	1.8
453.12161	2.1
463.12247	1.5
469.11264	0.7
553.13214	0.6
571.14398	1.0
579.14636	1.6
765.97156	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4578
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53508	0.4
53.03920	1.4
55.01867	3.5
55.05509	13.0
56.82004	0.4
57.03434	10.3
57.07049	1.7
61.02905	1.4
61.33682	0.4
65.03928	1.8
65.80556	0.5
67.05501	39.9
68.93945	0.5
69.03400	1.8
69.06724	0.7
69.07065	11.8
69.37226	4.7
71.04987	2.7
73.02897	1.6
79.05486	36.1
81.03398	2.1
81.07050	42.9
83.04975	3.8
83.08616	12.1
84.05328	0.5
85.02902	0.9
85.06522	1.5
90.50555	0.4
91.03941	0.6
91.05473	15.9
93.07039	52.8
95.04963	9.6
95.08601	57.1
96.08932	0.9
97.02315	0.7
97.02872	3.9
97.06521	4.4
97.10155	2.0
99.04456	3.8
103.05458	0.7
105.07022	13.0
107.04943	7.6
107.08585	36.5
109.06499	2.4
109.09452	0.8
109.10149	11.7
111.04427	1.4
111.08044	1.9
113.05966	0.5
115.68456	0.4
117.07005	9.9
119.08569	14.7
119.82664	0.4
121.06517	6.1
121.10134	22.5
121.11021	1.1
123.11688	3.8
125.05998	3.3
125.09644	0.5
125.86205	0.6
127.07535	0.8
129.06990	0.7
130.07764	1.8
131.08559	4.5
133.10117	7.0
135.08109	2.6
135.11684	55.5
136.12019	0.9
137.13246	1.3
139.07512	2.3
139.11200	0.6
143.08556	0.8
145.10114	32.5
146.10410	0.5
146.68051	0.4
147.11665	2.4
149.13245	3.9
153.12746	1.4
155.08531	0.8
159.11662	2.0
161.13217	1.5
163.11168	65.8
163.14827	1.7
164.11465	0.9
173.09610	1.2
173.13205	1.7
175.14850	0.9
177.16341	0.7
181.10747	0.9
181.12215	11.2
187.14789	0.8
191.10646	0.6
209.11766	1.3
227.12764	75.1
228.13142	1.3
231.89314	0.5
243.21083	2.4
261.22131	8.8
283.15378	100.0
284.15695	1.6
317.24771	2.5
335.25775	94.8
336.26120	2.1
349.05341	0.5
445.20645	0.7
483.31732	0.5
543.36774	91.9
544.37036	3.4
640.74646	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4571
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03907	2.3
55.01865	7.1
55.05506	21.1
55.05754	0.8
57.03432	14.0
57.03696	0.8
57.07032	2.2
59.04996	2.8
61.02921	6.8
62.94080	0.5
65.03907	1.9
67.05498	46.3
67.36105	0.5
69.03430	2.4
69.07059	11.7
69.37811	5.4
70.90910	0.5
71.01321	1.1
71.04982	4.1
71.08582	0.8
71.24267	0.5
73.02866	2.1
73.06522	0.6
77.03902	0.6
79.05486	38.7
81.03410	9.5
81.07047	51.8
82.07333	0.7
83.01334	6.9
83.04974	9.3
83.08611	14.7
85.02897	7.5
85.06493	2.2
91.03947	2.7
91.05470	22.3
93.07034	51.5
95.04953	8.8
95.08598	35.3
96.08941	0.5
97.02886	5.8
97.06513	4.8
97.10153	4.8
99.04464	2.7
99.08042	1.5
103.05400	1.0
105.07024	17.1
107.04935	6.3
107.08582	28.9
108.08882	0.5
109.06512	6.1
109.10144	16.6
111.04404	2.2
111.08087	2.6
111.11654	0.6
113.05948	0.6
115.05394	0.9
117.06239	0.7
117.07001	11.4
119.08562	16.2
121.06512	2.7
121.10126	20.2
123.04411	0.7
123.07300	0.6
123.08060	7.0
123.11694	4.8
125.05920	1.9
125.09601	2.9
127.03871	0.5
129.07034	2.6
130.07744	1.8
131.07578	0.8
131.08548	11.9
133.10121	8.0
135.08028	1.5
135.11671	19.7
137.09550	1.8
137.13196	2.1
139.07510	0.8
143.08527	1.7
145.06459	0.7
145.10103	19.5
147.07970	1.6
147.11661	6.7
149.09544	1.6
149.13260	6.7
151.11095	1.0
153.12714	3.2
155.08504	1.3
157.10097	0.8
159.11702	5.2
161.13243	4.2
163.11160	22.3
163.12531	1.2
163.14778	3.5
165.12679	0.8
169.10069	0.6
171.11627	1.1
173.09573	2.1
173.13216	5.6
175.14754	2.2
177.16348	0.9
179.14162	0.7
181.12193	3.1
183.11661	0.9
185.13255	0.7
187.14825	3.0
189.11200	1.6
189.16484	0.5
191.10620	3.9
193.12181	1.3
199.14719	1.0
209.11702	6.6
211.13197	1.0
227.12762	9.7
228.28658	0.6
241.19508	0.8
243.21126	4.6
259.20648	1.2
261.22107	17.6
267.15903	1.6
270.48996	0.6
273.22043	0.6
277.21558	1.0
279.23267	1.1
281.22476	0.9
283.15366	98.4
284.15799	2.8
285.16809	0.7
299.23679	3.8
317.24780	5.3
333.24271	1.7
335.25766	100.0
336.25974	2.8
360.28345	0.6
415.30026	0.7
423.32983	0.6
433.31003	1.3
451.32098	3.0
469.33041	2.0
487.34442	1.1
499.34082	0.6
515.37408	1.2
525.35809	4.7
543.36768	79.2
544.36945	3.2
561.37836	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	740.4577
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	1.5
55.01871	1.7
55.05509	9.1
56.24238	0.3
57.03438	7.2
57.03702	0.3
57.07051	1.4
59.85847	0.3
61.02895	0.9
65.03915	1.5
67.05502	33.1
68.05830	0.3
69.03397	1.1
69.07066	9.7
70.86055	1.1
71.04965	1.6
73.02880	1.0
79.05489	26.7
80.06248	0.3
81.03391	1.1
81.07053	35.8
83.04968	2.7
83.08144	0.5
83.08613	8.1
85.02869	0.6
85.06516	1.1
91.04905	0.5
91.05476	11.3
93.07042	37.8
94.07319	0.6
95.04430	0.5
95.04963	5.4
95.08603	42.4
96.08918	0.5
97.02898	2.7
97.06538	3.7
97.10153	1.6
99.04435	2.5
101.84899	0.4
103.05408	0.5
105.07024	8.5
107.04961	4.3
107.08591	24.4
109.06549	1.7
109.10149	9.7
110.10460	0.4
111.04424	0.9
111.08034	1.2
113.05987	0.5
115.05464	0.5
117.07011	6.5
119.08572	11.3
121.06514	3.0
121.10143	16.2
122.10462	0.4
123.08041	1.0
123.11703	2.9
125.05972	1.8
125.09613	0.6
127.07558	0.8
129.06908	0.5
130.07762	1.1
131.08586	4.6
133.10123	5.6
135.08084	1.8
135.11687	36.3
136.12004	0.5
137.09544	0.4
137.13223	0.9
139.07523	1.2
139.11157	0.6
143.08524	0.5
145.10114	19.1
146.10455	0.4
147.11667	2.4
149.13242	3.1
151.11159	0.8
153.12740	0.4
155.08524	0.5
159.11679	1.8
161.13242	1.6
163.11179	41.2
163.14810	1.4
164.11501	0.9
173.09621	0.5
173.13258	1.4
175.14894	0.6
177.16342	0.6
181.12213	7.4
181.13696	0.6
187.14772	1.2
209.11734	0.9
223.57875	0.3
227.12773	46.9
228.13133	1.4
243.21057	1.7
261.22165	7.0
283.15384	51.7
284.15714	1.5
317.24786	1.7
335.25784	100.0
336.26147	5.7
469.33371	0.7
543.36798	77.7
544.37036	6.8
544.45142	0.4
658.17633	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	738.4418
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.6
55.05261	1.1
55.05508	11.6
56.05020	2.1
57.03433	9.3
57.07063	2.4
57.48037	0.8
58.06575	1.1
61.02915	0.9
65.03944	1.5
67.05501	46.4
68.05013	1.0
69.03423	3.4
69.07064	11.0
70.06597	1.1
70.19881	4.1
71.05016	1.6
71.08641	1.1
72.04500	1.4
72.08147	1.4
79.05489	27.8
80.05016	6.0
81.03426	4.2
81.07053	44.4
82.06565	2.9
83.04984	1.2
83.08616	6.3
85.02892	3.3
85.06535	1.0
86.09710	4.2
91.05477	38.5
93.05795	3.8
93.06464	1.6
93.07041	30.1
94.06564	23.4
95.04967	5.7
95.07365	5.5
95.08601	30.8
96.08128	1.6
97.02870	2.2
97.10168	1.7
99.04382	0.9
99.08083	1.0
103.05487	0.8
105.07023	23.4
106.06555	2.4
107.07389	3.8
107.08588	13.6
108.04450	1.1
108.08112	9.7
109.06451	0.9
109.08934	1.2
109.10155	14.1
110.06052	1.0
111.08055	1.1
117.07021	3.3
119.08572	6.0
120.08098	1.5
121.08859	3.1
121.10148	10.8
122.09655	9.3
123.08120	1.0
123.11722	4.8
124.99989	3.0
127.03931	1.8
129.06984	1.4
131.08562	6.3
133.10132	10.5
135.10460	1.6
135.11687	6.1
137.09677	1.0
137.13257	1.6
139.23743	0.7
143.08505	1.1
145.10112	3.6
147.11681	2.7
148.11249	1.1
149.09605	1.1
149.13269	3.1
150.12773	20.9
159.11670	2.7
161.13231	1.7
163.14827	1.3
173.04440	3.5
173.13249	2.1
175.14859	1.1
178.12195	1.2
184.07324	14.8
187.14795	1.1
196.13364	10.3
206.11725	1.5
224.12704	1.4
243.21025	2.3
245.55872	0.9
252.15938	5.0
261.22073	6.2
267.16028	1.3
271.20218	1.0
280.15387	3.3
298.16495	44.6
317.24622	1.3
335.25784	100.0
336.26196	2.5
512.37732	1.8
540.36633	4.9
541.37585	1.4
558.37891	30.5
559.37897	1.2
576.38531	2.9
597.48639	2.1
688.45398	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.4422
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48803	0.8
53.03936	3.0
55.01868	0.9
55.05509	10.7
56.05021	3.6
57.03437	10.3
57.07065	3.0
57.07329	0.9
58.06593	2.8
60.00058	0.7
60.08169	6.1
61.02932	1.0
65.03929	3.3
67.05505	41.9
67.53278	0.9
68.05029	2.4
69.03422	5.5
69.06775	1.0
69.07073	10.8
69.25710	9.3
70.06585	2.9
71.05003	1.5
71.07364	2.2
72.08163	1.8
79.05495	27.4
80.05012	7.9
81.03422	7.1
81.05792	1.6
81.07059	45.7
82.06586	4.3
83.04984	1.2
83.08606	4.9
84.08144	1.0
85.02910	2.9
86.09209	1.5
86.09704	24.4
87.16927	0.7
91.05482	42.6
93.05805	5.4
93.07042	26.7
94.06564	25.4
95.04979	6.5
95.07364	6.8
95.08605	27.2
96.04509	1.9
96.08103	1.4
97.02890	3.5
97.06510	1.4
97.10220	1.7
98.21602	1.5
98.98466	2.7
99.04453	1.5
103.05443	1.1
104.10757	1.3
105.07030	30.1
106.06543	3.5
107.07385	4.0
107.08586	14.4
108.04453	1.3
108.08108	14.9
109.06555	0.9
109.10152	14.2
111.08083	1.5
117.07018	3.7
118.06519	1.0
119.08588	6.9
120.08096	2.2
121.08855	2.4
121.10140	11.3
122.06062	1.0
122.09672	11.9
123.11706	5.9
125.00011	16.2
127.03920	2.4
129.07062	0.9
131.08578	6.0
133.10132	13.3
134.09648	1.1
135.10509	2.0
135.11693	8.3
137.09669	0.9
137.13237	1.2
141.06897	0.8
145.10147	2.8
147.04446	1.1
147.11676	2.8
148.11217	1.3
149.13258	3.2
150.12781	26.9
157.10115	1.1
159.11697	3.0
160.11191	1.3
161.09583	1.0
161.13251	1.8
163.14821	2.0
173.04457	3.3
173.13315	1.9
178.12300	2.1
184.07338	100.0
187.14815	0.8
193.12282	0.9
196.13309	14.8
206.11789	2.3
224.12856	1.7
243.21017	2.4
252.15991	7.9
261.22192	7.4
262.14127	1.3
267.15909	2.4
280.15417	4.5
289.21680	1.0
298.16486	57.7
299.16898	1.0
305.82373	0.8
313.27390	1.9
317.24725	2.0
335.25797	77.8
336.26175	2.3
448.32172	1.3
505.38666	2.3
512.37817	1.6
540.37073	6.7
541.37354	3.1
558.37878	40.3
559.38086	1.5
576.38562	5.5
688.45642	11.4
722.95355	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.4417
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.2
53.04154	0.4
54.03471	0.5
55.01864	4.6
55.05509	21.9
55.05783	1.1
56.05028	2.0
56.77811	0.5
57.03434	10.7
57.07067	1.3
61.02914	1.5
65.03936	3.0
67.05500	50.9
68.01376	1.3
68.05027	0.9
68.84829	0.5
69.03437	1.6
69.07064	11.5
70.02947	4.9
70.06584	0.7
71.04976	2.5
71.62601	0.7
72.04511	100.0
73.02911	0.5
79.05489	43.5
80.05010	10.1
81.03403	1.2
81.07051	46.8
82.02949	3.8
82.06577	10.2
83.04958	3.3
83.05369	0.4
83.08616	8.8
84.04490	2.1
85.02901	1.7
85.06557	2.3
91.05472	21.7
92.05025	1.0
93.07038	35.3
94.06564	2.2
95.04956	5.2
95.08602	33.3
95.25960	0.4
96.04489	12.2
96.08119	1.2
97.02896	0.5
97.06525	2.0
97.10166	4.1
98.06042	1.5
99.08124	0.7
103.05428	0.6
105.04513	1.0
105.07027	14.5
106.06548	0.9
107.04935	1.4
107.08589	20.8
108.04471	15.4
108.08128	1.1
109.05259	2.2
109.06501	2.7
109.08964	0.5
109.10149	11.4
110.06043	7.6
111.08083	1.2
115.05450	1.4
117.07009	7.1
118.06553	1.5
119.08575	9.0
119.09355	0.8
120.08150	0.9
121.06474	0.6
121.10130	14.3
122.06010	3.4
122.09656	1.3
123.06849	0.8
123.08080	1.4
123.11703	4.3
124.03964	0.6
124.11219	5.6
125.09610	2.9
126.05517	1.3
128.06215	0.6
129.07013	1.0
131.08559	7.3
132.08098	1.8
133.06487	0.8
133.10120	6.6
134.06000	0.6
134.09669	1.7
135.08055	4.5
135.11678	8.6
136.07578	0.9
136.11191	0.9
136.70929	0.4
137.09587	0.9
137.13258	1.0
143.08600	1.1
144.08046	0.6
145.10091	4.6
147.11679	4.2
149.13255	5.2
150.09106	0.8
150.12721	1.1
151.11209	0.9
153.09099	0.7
154.93785	0.4
156.31709	0.5
157.10176	0.8
159.11665	2.9
160.11208	2.9
161.13234	2.8
162.12799	0.6
163.14853	1.7
170.09587	0.6
170.11703	3.2
171.11761	0.6
173.13251	3.5
175.14792	1.3
177.16432	0.9
178.12256	10.8
187.14870	1.6
188.10759	2.1
189.11266	0.8
201.16219	0.6
206.11755	4.3
208.13367	1.7
224.12793	13.5
226.14359	1.1
227.12787	1.0
241.15602	0.5
242.13925	1.6
243.21088	2.8
259.20505	0.6
261.22119	10.8
275.19974	0.6
276.30505	0.5
280.15405	10.1
281.16327	0.5
298.16467	79.3
299.16843	0.6
315.23199	1.4
316.17542	1.0
317.24829	1.2
335.25775	89.4
336.26202	1.1
487.34735	0.7
540.36743	3.0
558.37872	60.8
559.38043	1.8
576.38940	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	738.4422
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.6
55.01883	4.3
55.05512	21.1
56.05035	2.3
57.03178	1.0
57.03439	10.8
57.03709	1.2
58.06579	0.6
61.02923	1.4
63.72178	0.5
65.03940	2.5
65.66821	0.5
67.04244	1.0
67.05505	39.4
68.01388	1.2
68.05030	1.8
69.03425	1.7
69.07069	10.9
69.07412	1.1
69.98886	1.9
69.99292	1.1
70.02957	4.8
70.06603	1.1
71.04994	2.6
72.04517	98.3
79.05494	37.8
80.05015	10.5
81.03423	1.7
81.07057	41.3
82.02940	4.2
82.06580	10.0
83.04983	2.5
83.08623	9.2
84.04506	2.2
85.02903	1.4
85.06551	2.1
91.03963	0.6
91.05479	17.5
92.05026	0.9
93.05800	1.6
93.07046	29.3
94.06568	3.1
95.04984	3.9
95.08606	26.8
96.04490	13.0
96.08121	0.9
97.02921	1.0
97.06524	1.4
97.10167	5.0
98.06068	1.3
102.33812	0.5
105.04496	0.7
105.07027	12.1
107.04965	1.4
107.08593	18.3
108.04478	14.5
109.05263	1.6
109.06521	2.5
109.10154	10.7
110.06041	7.8
111.08080	0.8
111.18911	0.6
115.05473	0.9
117.07014	6.3
118.06538	1.7
119.08578	8.2
120.04445	0.6
120.08135	1.1
121.10145	9.8
122.06010	4.1
122.09670	0.7
123.08112	0.8
123.11692	3.2
124.07619	0.7
124.11234	4.8
125.09666	2.1
126.05544	1.0
129.65973	0.6
131.08585	5.0
132.08098	1.6
133.06456	0.7
133.10114	4.6
134.06041	0.7
134.09651	1.6
135.08034	3.7
135.11708	5.8
136.07550	1.8
136.11180	0.7
137.09662	1.4
137.13228	1.0
143.08527	1.0
144.08099	0.6
145.09090	0.8
145.10114	4.0
147.11736	2.6
149.13264	3.3
150.09125	1.1
150.12790	0.9
159.11742	2.7
159.25262	0.6
160.11203	2.7
161.09621	0.6
161.13252	2.7
162.09117	1.1
163.14856	1.3
170.09590	1.0
170.11763	2.9
173.13269	2.4
175.14841	1.1
178.12285	11.1
187.14842	1.1
188.10696	2.6
196.13382	0.6
206.11728	4.8
208.13348	0.9
224.12822	10.5
226.14261	1.5
230.87486	0.7
242.13919	2.0
243.21138	2.3
261.22162	8.9
280.15436	8.8
296.14612	0.6
298.16486	100.0
299.16742	0.9
315.23218	1.3
317.24670	1.0
335.25803	67.1
336.25952	1.3
356.89572	0.6
530.38135	1.0
540.36652	2.4
541.37659	0.7
558.37897	44.8
559.38385	0.9
576.38800	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	738.4415
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.5
55.01883	4.2
55.05507	22.1
56.05023	2.1
56.28405	0.7
57.03434	11.9
57.07070	1.5
58.06597	1.2
61.02946	0.9
65.03939	2.6
67.04236	1.1
67.05499	41.9
68.05004	1.7
69.03423	1.8
69.07063	8.3
70.02948	4.6
70.77956	1.9
71.04979	1.4
72.04512	96.0
79.05486	38.9
80.05008	9.6
81.03389	1.8
81.07050	41.4
82.02939	4.0
82.06570	9.3
83.04980	1.5
83.07394	0.8
83.08614	8.6
84.04495	2.0
85.02902	1.2
85.06545	1.8
91.05478	16.9
93.05811	1.1
93.07037	30.9
94.06568	2.7
95.04991	3.7
95.08601	28.4
96.04491	12.5
97.06548	1.8
97.10180	3.9
98.06057	2.3
99.08131	0.9
105.07023	10.4
106.06577	1.1
107.04935	0.9
107.08590	18.5
108.04468	14.8
108.08123	1.0
109.05268	2.5
109.06512	2.5
109.10152	11.2
110.06043	8.1
111.08089	1.4
117.07008	6.6
117.77387	0.8
118.06544	1.5
119.08578	8.0
120.08138	1.3
121.10134	9.5
122.06029	3.1
123.11691	2.9
124.11204	5.4
125.09670	2.4
126.05532	1.2
130.66980	0.7
131.08557	5.8
132.08075	1.3
133.10129	5.0
133.17769	0.8
134.09680	1.2
135.08031	4.1
135.11668	5.8
136.07556	1.6
136.11096	0.9
137.09621	1.7
143.08684	0.8
144.08156	0.8
145.10071	4.4
147.11681	2.2
149.13229	3.3
159.11671	3.5
160.11208	3.2
161.13269	2.7
163.14854	0.9
168.35074	0.7
170.11774	2.2
173.13292	3.2
175.14734	1.1
178.12279	10.6
187.14743	0.8
188.10748	2.8
195.56615	0.9
206.11693	4.8
208.13342	1.3
224.12799	10.1
226.14462	1.3
242.13812	1.5
243.21091	2.9
261.22107	9.4
280.15390	10.0
298.16470	100.0
299.16800	1.3
317.24887	1.4
335.25784	65.1
336.25995	1.0
360.99490	0.7
389.34988	0.8
540.36505	2.3
558.37860	44.0
559.38062	1.3
576.38794	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	738.4418
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	2.1
55.01867	4.7
55.05510	18.9
56.05033	2.0
57.03433	9.9
57.07070	1.4
58.06584	0.7
59.04999	0.6
60.63756	0.4
61.02926	1.3
65.03934	3.0
67.04241	1.1
67.05501	48.0
68.01391	1.3
68.05032	1.7
69.03423	2.4
69.07063	11.3
70.02952	4.2
70.06586	0.6
70.09748	2.0
71.04974	2.2
72.04512	100.0
77.03900	0.5
77.10752	0.4
79.05489	42.7
80.05012	10.4
81.03416	1.7
81.07051	45.1
81.27764	0.4
82.02927	3.9
82.06574	7.6
83.04990	2.4
83.08611	6.8
84.04497	2.0
85.02898	1.3
85.06540	3.3
89.48582	0.5
91.05476	20.9
92.04939	0.5
93.05837	1.0
93.07037	35.4
94.06568	2.4
95.04952	4.9
95.08599	32.0
96.00847	0.7
96.04486	10.7
96.08130	1.0
97.02887	0.9
97.06543	1.7
97.10169	4.9
98.06063	1.1
99.08079	0.7
101.06133	0.4
105.04500	0.9
105.07024	13.2
106.06575	1.2
107.04958	1.1
107.08585	20.2
108.04474	12.9
108.08109	0.6
109.02850	0.6
109.05266	2.3
109.06480	2.3
109.10148	13.1
110.02428	0.5
110.06040	7.1
111.08089	1.7
113.09628	0.5
115.05451	0.9
117.07005	7.3
118.06547	1.5
119.06131	0.7
119.08569	7.0
120.08103	1.1
121.06516	0.4
121.10137	12.3
122.06021	4.1
122.09680	0.9
123.06806	0.6
123.08038	1.0
123.11691	3.3
124.11228	6.6
125.09625	2.9
126.05501	1.1
128.06226	1.0
129.05492	0.6
129.07022	0.7
131.08556	6.8
132.08089	1.3
133.10110	5.9
134.09674	1.2
135.08046	4.1
135.11682	8.4
136.07555	1.3
136.11133	0.4
137.09622	1.2
137.13251	0.8
139.11157	0.5
143.08575	1.2
145.10112	4.1
146.09604	0.5
147.11673	3.3
149.13228	3.5
150.09109	0.7
150.12825	0.8
151.14932	0.5
153.09169	0.6
157.10043	0.4
159.11674	3.7
160.11205	2.7
160.12347	0.4
161.09637	0.6
161.13283	2.2
163.14775	2.4
164.10738	0.5
166.36223	0.4
170.11775	2.7
171.11720	0.6
173.13263	3.5
175.14839	0.9
177.16412	1.0
178.12270	11.5
185.13332	0.6
187.14861	1.5
188.10640	2.2
189.11209	0.9
189.16467	0.5
201.16377	0.7
206.11743	4.9
208.13339	1.2
224.12823	11.6
226.14330	1.0
227.12784	1.3
233.22824	0.6
242.13773	2.0
243.21051	3.5
261.22125	12.0
280.15414	10.3
296.14948	0.5
298.16470	87.0
299.16714	1.3
315.23035	2.3
316.17715	0.8
317.24762	1.9
333.24152	0.6
335.25775	92.0
336.26199	1.3
426.94681	0.4
461.20370	0.4
462.71973	0.5
482.59473	0.5
487.34088	0.8
530.38263	0.7
540.36774	2.8
541.37482	0.6
558.37860	65.5
559.38055	1.7
564.43671	0.6
576.38940	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	738.2962
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.2
55.01865	0.3
55.05501	0.2
56.81667	0.2
56.96555	0.2
57.03436	1.2
61.02910	0.3
61.63667	0.2
63.02376	0.3
67.05482	0.4
69.03432	0.9
70.06570	0.3
71.04990	6.6
71.59537	0.4
79.05474	0.6
81.03407	0.5
81.07057	2.0
82.07381	0.2
83.04977	0.7
85.02900	8.1
87.04482	0.2
89.03900	2.2
91.05437	0.9
95.04943	0.2
95.08598	0.4
97.02876	1.6
99.04449	0.4
107.04969	1.2
107.05573	0.3
109.02885	0.4
111.04432	0.4
112.08244	0.2
114.05554	0.4
115.98515	0.2
117.03367	2.8
117.09080	0.2
119.04932	0.6
123.04382	0.3
124.88416	0.2
127.03867	0.6
129.05467	2.0
135.04407	9.5
137.05968	3.6
137.13211	0.4
145.02831	8.2
147.04388	0.8
147.06512	0.7
149.05948	0.3
153.05420	0.3
161.05984	0.5
163.03893	100.0
164.04222	1.3
165.05441	0.5
167.06972	0.5
169.04694	0.2
169.10173	0.3
177.00673	0.2
181.04956	1.6
186.05481	0.4
189.09096	0.7
191.08575	0.2
193.08600	0.4
197.09622	0.2
201.09145	0.2
209.07957	0.2
215.10643	1.3
219.08043	0.4
233.11685	2.0
237.02834	0.5
237.07593	0.3
249.09113	2.0
251.12660	0.3
255.08868	0.3
259.09653	0.8
261.02707	0.3
266.11761	0.8
273.07498	0.3
279.03894	0.6
281.33392	0.2
289.07196	0.2
291.08530	0.4
307.08017	0.4
309.09653	1.5
325.09158	11.8
326.09564	0.2
362.09732	0.8
362.59991	0.8
363.10028	0.4
379.17328	0.3
430.66107	0.2
435.12531	0.3
471.14810	0.7
557.56403	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.2747
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38808	0.1
55.01857	0.1
57.03415	0.1
60.22635	0.1
69.03405	0.2
71.04991	1.1
71.59679	0.2
81.03397	0.1
81.07057	0.1
82.69123	0.1
85.02902	1.1
89.03899	0.2
91.05415	0.1
97.02909	0.1
103.30994	0.1
103.93879	0.1
105.07026	0.2
107.04936	0.2
117.03378	0.3
117.37128	0.1
119.04913	0.2
121.06540	0.1
127.03941	0.1
129.05453	0.3
130.17657	0.1
135.04395	0.9
137.05943	0.3
145.02885	0.5
147.04427	0.2
163.03902	7.6
164.04153	0.2
165.06911	0.2
173.06085	0.1
178.06184	0.1
178.07735	2.1
181.04982	0.2
181.06509	0.1
189.06956	0.8
190.07776	1.1
191.07004	0.2
191.08565	0.6
192.09314	0.3
193.10139	0.2
202.07738	0.7
203.08578	0.5
205.06491	0.6
205.10318	0.1
206.07265	3.6
207.07787	0.1
208.08861	1.5
209.09567	0.2
215.10562	0.1
216.05666	0.1
217.06470	0.8
218.05383	0.2
218.07277	2.1
219.08041	0.8
220.08813	0.9
221.09607	23.8
222.10040	0.5
223.11160	1.9
230.07285	0.2
231.08035	0.3
233.09583	1.7
233.11739	0.6
234.06750	5.0
235.07449	0.6
236.08287	1.6
237.08946	0.2
246.06746	0.6
247.07480	0.5
248.08307	0.9
249.09106	18.6
250.09450	0.6
251.07071	0.2
251.10640	1.0
251.12936	0.1
252.07690	0.2
259.08633	0.2
261.09094	0.8
262.09915	0.4
263.07156	0.4
264.07834	2.1
265.08380	0.1
277.08569	0.3
278.09567	0.2
279.10150	100.0
280.10468	2.4
296.12805	40.2
297.13147	0.7
309.09570	0.2
321.43011	0.1
325.09024	0.6
471.14774	0.1
499.37680	0.1
541.97119	0.1
717.61432	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	738.2732
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.2
57.03424	0.4
58.69797	0.2
60.26477	0.2
67.05508	0.3
69.03413	0.4
69.07028	0.2
69.60376	0.4
69.60780	1.2
71.04987	2.6
71.67459	0.1
73.32526	0.1
79.05494	0.2
81.03432	0.2
81.07059	0.3
81.48372	0.2
83.04983	0.4
85.02892	3.0
89.03903	0.8
89.77708	0.1
91.05461	0.4
95.04936	0.2
97.02879	0.3
97.06545	0.2
99.04429	0.2
107.04979	0.5
107.08573	0.3
111.04463	0.3
117.03394	0.8
117.07007	0.2
119.04939	0.2
121.06496	0.3
123.04409	0.2
127.03899	0.2
129.05479	0.9
131.04941	0.2
135.04410	2.4
137.05960	1.3
145.02835	2.1
145.06494	0.6
147.04399	0.8
147.06482	0.2
163.03896	24.4
163.07564	0.6
164.04247	0.2
165.07042	0.3
167.07066	0.2
169.08423	0.2
175.07521	0.2
177.07031	0.2
178.07710	1.6
179.08607	0.2
181.04912	0.3
189.06966	0.9
190.07832	0.7
191.06993	1.0
191.08588	0.7
192.09325	0.3
193.10115	0.3
202.07809	0.6
203.08548	0.2
205.06520	0.5
205.12349	0.3
206.05424	0.3
206.07246	3.1
207.08124	0.2
208.08797	1.6
215.10696	0.5
217.06494	0.6
218.07230	2.1
219.08076	0.7
220.08897	0.8
221.09602	21.1
222.09947	0.6
223.11171	2.0
230.07388	0.2
233.09590	1.6
233.11748	3.4
234.06729	4.5
234.08919	0.3
235.07484	0.7
236.08250	1.5
246.06729	0.4
247.07565	0.3
248.08228	0.8
249.09099	18.1
250.09467	0.4
251.06941	0.2
251.10519	1.1
251.12941	0.8
259.09662	0.2
261.09229	0.8
262.09729	0.4
263.06949	0.3
264.07706	1.9
277.08478	0.3
279.10141	100.0
280.10501	2.4
291.08508	0.2
296.12799	37.0
297.13113	0.6
309.09735	0.6
325.09152	2.4
379.72360	0.2
471.15219	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.3698
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.0
54.30260	1.0
55.01619	1.9
55.01872	23.6
55.02140	1.3
55.05263	1.4
55.05511	21.8
57.03438	32.7
57.07076	8.1
58.86102	1.0
61.02927	8.3
61.67017	0.8
65.03943	1.5
67.05505	25.2
67.46582	0.8
68.06269	1.0
69.03430	15.3
69.07073	8.5
69.36938	10.0
70.06581	3.5
71.04989	5.2
73.02918	10.8
79.05489	29.6
80.06273	1.5
81.03417	73.6
81.06579	1.8
81.07056	35.4
82.04191	1.8
83.04980	35.4
83.08135	1.8
83.08617	27.9
84.02136	2.1
85.02905	30.7
85.06532	3.1
86.09711	2.1
87.04462	2.1
91.03957	3.7
91.05480	33.8
93.03387	1.2
93.07050	22.6
94.04174	2.2
94.07868	1.2
95.04971	32.5
95.08604	13.6
96.05740	1.7
97.02893	9.4
97.06522	13.8
97.10171	6.8
98.07335	2.1
98.20786	2.0
99.04439	1.4
99.08086	2.6
101.06013	3.7
105.07034	24.4
107.04955	9.8
107.08588	13.1
109.06509	6.0
109.10142	5.5
110.07322	2.6
111.04427	3.6
111.08080	17.1
113.06017	3.2
115.05465	1.6
116.04707	32.8
117.05477	4.3
117.07008	2.8
119.04915	1.0
119.08588	22.6
121.06532	4.7
121.10148	11.7
121.14442	1.0
123.08054	5.5
123.11685	3.2
125.09602	4.5
127.07580	1.4
127.11203	4.9
129.05481	73.0
129.06915	11.6
131.08572	15.8
133.06505	2.9
133.10136	18.1
135.11700	4.2
135.31163	1.0
136.08830	1.4
137.09607	2.9
137.13309	2.0
139.07547	3.4
139.11235	1.4
141.09134	0.9
142.07816	1.9
143.07027	23.8
145.10104	3.9
146.10921	1.0
147.04390	1.4
147.08047	3.9
147.11694	19.4
149.09619	12.7
151.11171	1.3
153.09160	1.5
153.12697	1.0
157.08609	51.4
157.10106	16.3
158.05777	4.9
161.09605	0.9
163.03900	1.7
163.11186	4.2
164.11934	4.9
164.57376	0.9
165.12682	5.2
167.10719	1.2
171.06531	8.0
171.10173	11.1
171.11501	1.5
175.11186	19.6
181.12227	1.8
185.06551	0.8
185.08022	5.0
185.11719	6.5
190.04759	1.6
192.11409	1.5
193.12250	52.5
199.09650	5.6
199.13264	5.2
200.14059	16.6
201.14830	6.5
205.08667	0.9
210.12576	1.6
211.13290	79.5
213.11226	3.9
214.11861	1.2
223.13344	1.6
226.11841	1.0
227.12712	7.6
229.14284	1.8
241.14337	3.2
242.15120	2.9
255.11990	1.3
255.15903	10.2
256.16669	1.3
257.17548	1.7
265.14349	1.1
266.15213	2.2
267.15927	36.3
268.16623	1.4
269.17493	1.5
283.15866	1.1
283.19128	2.3
284.16147	4.0
285.16974	64.6
297.20645	1.5
298.17813	7.8
298.21048	1.5
311.15088	1.1
311.18515	5.0
311.22174	4.9
312.14432	1.4
321.16977	1.5
325.20142	2.6
326.24536	1.4
330.15466	93.4
331.15741	2.5
339.17923	5.4
339.21753	7.0
353.23184	1.7
367.21249	3.1
382.27127	23.0
392.25565	1.8
395.24292	2.3
409.25772	2.2
410.26642	3.9
458.26660	3.1
459.27496	9.3
465.28287	2.3
476.27481	3.7
477.28433	5.7
494.28717	6.6
522.27075	11.4
540.28070	100.0
541.28198	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	736.427
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	7.3
55.01862	6.5
55.05515	40.2
57.03429	14.6
57.07065	3.2
59.53435	2.7
67.05502	49.5
69.03432	5.8
69.07072	19.5
69.95395	18.5
70.02959	5.8
70.06580	7.5
71.05000	3.5
72.04517	100.0
72.62414	3.2
79.05493	61.8
80.05011	16.2
81.03407	11.2
81.07058	55.7
82.06577	13.4
83.04980	5.9
83.08615	10.3
85.02900	4.8
85.06564	3.5
86.09705	5.2
91.05478	55.4
93.07041	60.9
94.06602	3.3
95.04972	12.6
95.08618	28.0
96.04492	11.5
97.02913	3.6
97.06516	3.8
97.10162	8.8
105.07042	56.2
107.08586	27.6
108.04481	13.8
109.02997	3.1
109.06503	3.3
109.10168	10.2
110.06051	8.6
117.07016	24.9
117.56950	3.2
119.08578	47.3
121.06470	3.6
121.10135	21.4
124.11230	7.1
125.09627	5.9
126.97621	3.0
128.06204	4.3
129.06995	11.4
131.08578	25.6
133.10138	40.6
134.09695	3.0
135.08032	6.0
135.11697	13.3
138.75027	3.3
143.08589	10.8
145.09190	3.1
145.10106	19.1
147.11684	27.6
149.09630	5.7
149.13297	8.2
155.08517	3.7
155.76535	3.7
157.10165	7.8
159.11725	21.7
159.66936	3.0
161.13225	27.6
169.10251	3.8
170.11804	5.0
171.11705	13.4
173.13263	10.3
175.14818	8.6
178.12309	13.1
181.10237	3.2
185.13274	9.5
199.14877	6.9
200.51180	3.4
206.11703	5.1
208.13309	5.1
224.12764	15.1
226.14342	3.4
231.21066	6.9
241.19533	22.2
245.89857	3.3
259.20602	69.5
280.15439	7.5
290.21130	7.3
295.20618	4.2
298.16534	66.1
313.21786	6.1
315.23132	6.6
333.24216	54.3
377.87198	3.0
384.22696	3.6
437.55600	3.3
482.32730	3.9
489.04147	3.3
538.35168	12.2
556.36328	55.8
557.36908	4.8
574.37506	52.0
575.38202	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	733.339
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61529	1.0
53.03934	2.3
55.01875	18.3
55.05271	1.6
55.05514	20.0
56.05029	2.1
57.03438	23.6
57.07071	2.4
58.06573	1.3
61.02914	2.1
67.04266	1.1
67.05172	1.9
67.05505	24.7
68.01402	1.0
68.05032	1.9
69.03431	5.8
69.07066	7.7
70.02953	4.7
70.06576	3.1
71.01344	0.9
71.04972	3.9
72.04517	95.2
73.02912	6.3
77.13016	1.0
79.05495	27.3
80.05016	16.3
81.03416	10.9
81.07059	25.1
82.02938	4.9
82.04202	1.6
82.06583	13.6
83.04983	14.6
83.08611	7.9
84.02119	1.0
84.04493	3.3
84.08125	1.4
85.02898	5.3
85.06548	3.4
86.09695	1.2
91.05482	21.7
93.05779	2.3
93.07047	19.4
94.06561	6.2
94.07849	1.4
95.04958	9.8
95.08613	7.9
96.04491	20.3
96.08105	3.4
97.02912	1.7
97.05272	1.9
97.06533	9.1
97.10167	6.1
98.06051	4.1
99.08039	1.3
101.06004	2.3
105.07040	12.2
106.06533	3.0
107.04961	5.8
107.08582	12.3
108.04485	16.1
108.08107	1.9
109.05251	2.5
109.06513	4.0
109.08930	1.3
109.10162	5.5
110.02399	1.3
110.06055	11.8
110.07239	1.1
110.09684	1.3
110.70034	0.9
111.04435	1.7
111.06847	1.2
111.08063	2.9
115.05445	1.9
116.04705	22.6
117.05497	2.2
117.07010	5.6
118.06551	1.6
119.04904	1.0
119.08578	6.5
120.08095	3.4
121.06462	2.8
121.10130	4.5
122.06034	6.5
122.09637	2.6
123.08070	5.8
123.10428	1.1
124.03919	1.5
124.07570	2.6
124.11224	5.6
125.09639	4.1
126.05505	3.5
127.11200	1.3
129.05481	50.9
129.07001	3.7
131.08572	6.0
132.08075	3.0
133.06474	2.0
133.10110	7.2
134.06020	1.8
134.09642	2.6
135.08032	6.0
135.11693	3.7
136.07565	3.9
136.11197	1.9
137.09566	2.3
138.09100	2.1
143.07018	19.8
143.08144	1.4
143.08618	1.4
145.06493	1.3
145.10100	2.4
146.09653	2.5
147.04405	1.5
147.11667	3.5
147.51663	0.9
148.11169	2.0
149.09612	2.3
150.09111	2.9
150.12762	2.4
151.13510	1.2
153.09044	2.1
157.08617	35.9
157.10074	3.2
158.05748	1.2
159.10280	0.9
159.11723	1.2
160.11212	4.3
162.12741	1.4
163.03894	1.2
163.11180	2.9
164.10709	3.4
164.11961	1.4
166.12268	4.9
170.09616	1.0
170.11768	3.6
171.06509	1.4
171.10165	8.5
175.11230	2.3
176.10643	1.3
178.12277	14.4
179.12949	1.4
180.13834	2.7
185.11710	4.7
188.10719	5.3
189.11256	1.6
190.12308	2.4
192.13768	1.0
193.12311	5.9
194.11775	3.8
196.13304	3.3
198.11497	0.9
199.13257	4.8
200.14072	12.7
201.14864	2.6
206.11749	8.2
207.12598	2.1
208.13326	10.0
211.13281	5.0
213.11234	2.5
220.13316	1.0
224.12814	14.1
226.14381	3.2
227.12758	3.0
240.16115	1.1
252.16006	1.8
255.15955	4.0
262.14316	1.6
264.15930	1.6
267.15982	13.1
268.15503	4.2
280.15424	11.9
282.17020	4.1
283.15369	1.6
284.16177	2.9
285.16925	2.8
298.16489	100.0
299.16931	2.0
304.22647	1.2
322.16422	1.6
330.15479	71.3
331.15952	1.7
332.22104	1.7
352.17441	2.6
378.26340	3.2
380.20621	2.0
388.24966	1.4
394.25992	6.2
406.25821	9.3
412.27084	1.5
423.26132	4.0
424.26801	2.1
436.26901	2.6
460.26880	4.4
462.28589	3.0
472.27017	3.6
478.28036	9.9
490.28012	16.7
508.29013	3.6
553.27557	38.0
571.28400	2.6
581.07135	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.3096
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89806	0.6
53.03945	0.5
55.05507	0.9
56.96564	21.9
57.07048	0.7
60.04502	1.2
60.41483	0.6
67.05495	2.6
69.07053	1.8
69.36023	5.0
71.04980	0.9
79.05495	3.9
81.07059	3.5
88.38331	0.6
91.05487	3.5
93.07043	8.0
95.08598	3.3
97.06535	0.9
98.20770	0.9
98.97580	17.4
105.06985	0.6
107.08595	12.0
109.10155	8.1
116.98617	30.6
119.04215	0.6
119.04951	3.9
133.06415	0.6
134.99655	34.1
135.11696	7.8
137.13275	1.0
140.00156	3.0
147.04405	24.0
148.04742	0.9
153.00708	9.2
158.01253	5.5
176.02321	1.2
187.02730	1.2
195.03336	3.1
203.00076	2.8
209.01210	2.5
211.02812	3.2
213.04353	12.6
221.01192	4.0
229.03731	0.7
231.05435	1.5
236.05980	0.9
239.02255	55.3
240.02730	0.7
245.01198	1.4
257.03326	76.4
258.03748	1.8
262.03906	11.4
263.02228	7.6
266.03171	0.6
269.10574	8.0
275.04401	2.0
280.04932	9.7
281.03299	5.1
285.05795	1.1
286.03888	1.3
287.11667	6.7
292.12122	1.7
299.04358	4.8
299.16455	1.0
303.06482	0.8
304.05304	0.8
310.13092	1.1
316.28421	1.3
355.12231	1.3
373.13257	6.7
391.14355	5.7
396.14932	1.6
397.13110	3.8
415.14261	49.2
416.14639	3.2
433.15353	100.0
434.15811	4.5
438.15833	1.9
451.16400	1.8
456.16943	34.7
457.17413	2.4
519.16901	2.0
537.18048	4.7
560.19873	1.7
610.87250	0.6
731.31055	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	730.4647
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05488	0.2
56.05042	0.5
58.06628	0.4
59.07373	0.1
60.08161	5.6
66.19799	0.1
67.05492	0.4
69.96639	0.6
70.06578	0.1
71.07365	2.9
71.84439	0.1
77.30300	0.1
79.05479	0.3
80.98692	0.1
81.07061	0.8
86.09701	30.0
87.10041	0.3
91.05459	0.2
93.07015	0.2
95.08601	0.2
98.98455	2.4
104.10738	2.4
105.07063	0.1
107.08591	0.1
113.03043	0.1
116.99530	0.2
124.99998	19.7
126.00277	0.1
137.13199	0.2
143.01050	0.4
147.04475	0.1
163.04041	0.2
166.02690	0.3
184.07330	100.0
185.07686	1.0
193.05037	0.1
228.35471	0.1
292.30759	0.1
342.83643	0.1
617.23438	0.1
730.46533	6.5
731.46698	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.3101
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57839	0.7
55.05495	2.0
56.96300	1.2
56.96565	19.6
57.03421	1.3
57.07068	1.1
59.05000	0.9
67.05507	5.1
69.07067	3.9
71.04971	1.3
71.58506	1.5
74.53005	0.7
79.05493	11.2
81.07048	7.9
83.04961	1.9
83.08606	1.5
91.05487	4.4
93.07040	20.8
95.04939	1.8
95.08607	5.6
97.06522	2.2
97.10176	0.9
98.97573	10.0
98.98170	0.9
105.07004	1.2
107.07860	1.3
107.08591	24.0
107.51379	0.7
109.10156	13.3
111.33281	0.8
116.98618	18.0
119.04975	0.9
123.11630	0.9
134.99654	21.8
135.11687	12.7
136.11949	0.9
140.00159	1.9
147.04408	7.6
153.00714	6.0
153.12703	2.1
158.01250	4.5
167.92827	0.8
181.44977	0.8
187.02856	0.9
191.00185	1.5
193.01663	1.1
195.03250	4.1
203.00012	3.5
203.15338	1.6
209.01186	2.6
211.02774	2.7
212.81009	0.7
213.04326	14.6
221.01086	5.2
231.05391	2.4
236.06018	1.8
239.02257	77.6
240.02611	1.7
244.02776	1.7
251.09560	2.5
257.03333	100.0
258.03610	2.3
262.03870	14.1
263.02219	11.1
269.10645	4.8
275.04404	2.2
280.04929	11.5
281.03296	15.3
285.05405	1.4
287.11639	2.4
299.04379	17.1
304.04971	3.8
322.06003	2.5
355.12250	3.7
373.13235	8.3
391.14182	3.3
396.14774	2.0
415.14267	77.5
416.14676	2.2
433.15347	86.0
434.15552	2.4
456.16898	32.1
457.17264	1.7
519.16870	2.6
537.17957	3.9
560.19098	1.3
661.79761	0.8
731.31445	5.7
731.43250	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.3657
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79210	0.4
53.03931	0.5
55.01886	0.4
55.05508	0.9
55.80164	0.5
57.03431	1.6
58.63218	0.4
59.05006	0.5
61.02919	3.2
67.05504	2.7
69.03437	2.1
69.04975	0.4
69.07074	0.8
71.04994	1.8
71.59432	0.7
73.02914	3.2
78.76317	0.3
79.05480	2.9
83.04987	1.3
83.08623	1.4
84.08111	0.3
85.02902	5.1
85.06531	0.6
86.09692	0.4
91.03961	2.1
91.05470	3.3
93.07042	3.0
95.04961	2.4
95.08624	1.5
97.02879	4.3
97.06547	0.7
99.04482	1.2
101.02386	1.5
103.03969	0.5
103.05445	0.6
105.07011	2.4
107.04965	1.2
107.08582	2.0
109.02881	1.3
109.06545	0.6
109.10162	0.8
109.27624	0.4
111.04414	0.4
111.08082	0.6
115.03931	0.4
117.07046	0.4
119.08590	1.9
121.06490	0.4
121.10129	2.2
123.04485	0.5
123.08084	0.5
123.11708	0.6
127.03929	1.8
129.07010	1.1
131.04906	0.5
131.08597	1.6
133.06494	0.6
133.10126	1.1
135.11673	0.8
137.05981	1.6
139.57808	0.3
147.04413	1.0
147.07977	0.4
147.11700	1.7
148.17950	0.3
149.09633	1.3
151.07680	0.5
151.11157	0.4
157.10172	1.7
158.49092	0.4
163.03954	1.7
167.07085	1.5
171.53416	0.5
175.11198	1.1
183.06685	0.4
185.04228	0.5
193.12215	3.3
201.07722	0.5
211.13303	0.7
225.14870	0.6
243.08260	2.5
251.12534	0.8
267.15970	0.8
283.06024	0.5
283.15161	4.0
285.17050	0.5
339.17944	1.2
469.20432	10.7
501.23047	10.4
502.23526	0.8
567.30780	0.5
596.81665	0.4
729.36584	100.0
730.37366	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	729.2749
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87800	0.5
53.03935	1.2
55.01852	1.6
57.03428	0.6
61.02927	0.7
65.03938	12.4
67.05490	2.1
69.03413	2.2
71.04967	1.2
71.59551	0.8
72.08150	0.5
75.04473	0.8
78.03272	0.5
78.04704	1.0
79.05489	2.7
81.03406	1.1
82.04173	1.6
85.02901	5.3
89.03903	1.0
91.05468	6.1
93.03385	2.4
93.07061	0.6
94.04166	0.8
95.01312	1.6
95.04964	2.6
97.02879	1.6
97.06512	1.0
103.05500	2.4
105.07028	4.5
106.04167	1.0
107.04954	7.3
108.02084	1.1
109.02850	1.2
109.06492	0.6
110.03655	11.1
111.04430	21.9
115.05444	2.4
117.03358	1.5
117.07020	0.8
118.04156	1.1
119.04935	6.3
119.08563	0.8
121.06477	1.2
122.03595	1.2
123.04432	2.4
124.05186	1.2
125.05984	17.3
127.03919	0.9
128.06215	1.6
129.07002	2.6
130.04115	0.7
131.04895	4.1
132.05733	0.5
133.02840	2.2
133.06509	4.1
134.03654	0.9
135.04416	1.0
136.05196	1.4
137.05963	8.4
138.03146	1.2
143.04935	0.7
144.05707	1.1
144.75298	0.5
145.02852	0.7
145.06483	2.9
146.07297	0.6
147.03224	0.7
147.04404	10.7
147.08055	2.0
148.05009	0.5
149.06000	2.7
151.03947	1.5
151.07547	2.9
152.04623	0.9
153.05455	84.9
154.05807	1.0
155.04904	0.8
157.06497	0.7
159.08049	4.7
160.05171	0.9
161.05969	7.2
161.09587	1.0
162.06738	0.8
163.03917	3.9
163.07524	2.1
164.04613	0.8
165.06917	0.9
167.07031	32.8
168.07455	0.6
171.04401	1.4
171.08005	0.8
172.05197	1.4
173.05957	1.1
175.07529	7.1
176.04639	0.6
177.05463	3.7
177.06860	1.0
178.07785	1.6
179.07008	5.5
179.08394	0.9
181.04994	0.7
181.06398	0.6
184.05185	0.7
184.69624	0.5
185.05988	1.9
186.06786	3.8
187.07527	7.1
188.64063	0.6
189.05438	4.8
189.07019	1.6
189.09015	0.6
190.07822	2.4
191.07143	3.1
191.08458	3.5
192.04109	0.7
192.09293	0.8
193.06569	1.1
193.08553	0.7
193.10133	0.9
194.07281	2.2
195.08096	0.7
198.06743	1.4
199.07526	4.0
201.05429	1.0
202.07732	2.5
203.06905	1.0
203.08557	3.1
204.09241	0.7
205.06525	2.8
205.10130	1.1
206.07150	2.4
207.06444	2.3
207.08112	2.3
208.08810	1.6
209.07980	0.6
214.06215	1.3
215.06868	2.7
215.08763	0.9
216.07796	11.3
217.06427	1.6
217.08389	0.8
218.07283	4.9
219.08026	9.5
220.08809	4.9
221.05898	2.7
221.09491	2.7
222.06816	0.6
223.07521	1.7
225.09004	0.8
229.06468	1.2
229.08568	8.5
230.07208	1.2
231.08055	3.9
232.08838	1.4
233.05981	3.3
233.09552	3.3
234.06728	2.7
235.07513	5.5
236.08260	5.4
237.09111	2.8
245.06004	1.2
245.09570	0.7
246.06734	2.3
247.07555	6.1
248.08310	4.7
249.05490	1.2
249.09084	6.7
250.06122	1.3
250.09869	2.1
251.06996	1.9
251.10657	13.7
252.11266	1.0
253.08632	1.7
258.06741	0.9
259.07574	2.3
260.08371	2.3
261.05609	3.6
261.09009	4.3
262.06274	2.0
262.09808	1.4
263.06985	4.0
263.10736	2.1
264.07788	11.1
265.08530	8.3
266.09335	1.8
267.06711	0.6
273.05420	0.9
274.06201	0.5
275.07040	4.0
276.07779	10.2
277.08621	7.4
278.06302	0.8
278.09348	5.3
279.10135	8.8
280.07648	0.5
280.10883	1.3
281.08127	2.3
281.11679	3.2
283.13275	0.7
287.06830	0.7
288.07785	2.2
289.08514	3.5
290.09302	1.9
291.06851	0.7
291.10062	5.4
292.07318	2.3
292.10812	1.3
293.08047	6.2
293.11667	2.1
294.08847	1.8
295.09659	1.6
296.10345	0.7
301.08508	0.9
303.10132	0.9
304.07324	2.2
305.08063	2.7
305.11459	0.9
306.08908	2.2
307.09613	47.5
308.10324	7.2
309.07684	0.9
309.11133	6.4
311.12668	3.3
319.09604	12.1
320.10364	2.2
321.07706	0.9
321.11172	3.2
322.08142	0.6
322.11829	0.9
323.12848	5.1
324.09943	1.1
324.13574	0.7
325.14359	1.0
336.09915	1.4
337.10635	3.0
339.12244	100.0
340.12723	2.3
341.13815	6.4
351.12231	30.5
352.12866	2.0
353.13647	4.4
354.14279	0.6
369.13263	4.5
370.14044	0.8
371.14899	0.7
421.05435	1.4
499.17291	1.5
501.18967	0.6
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
53.03931	2.0
55.05510	10.0
57.03434	14.9
57.07063	2.4
61.02920	3.0
65.03930	1.8
67.05173	3.4
67.05507	52.3
69.07068	15.9
71.60974	2.5
73.02895	2.2
79.05488	30.6
81.07057	59.7
83.04964	3.2
83.08622	12.8
85.02912	2.8
85.06535	3.5
91.03947	2.0
91.05470	17.2
92.61666	1.6
93.07040	46.0
93.07625	3.7
95.04963	3.5
95.08601	28.9
97.06525	6.1
105.07018	10.0
107.08591	26.2
109.06492	2.5
109.10144	10.1
111.08077	3.2
117.07005	6.5
119.08570	5.4
121.10151	18.0
123.11712	2.8
131.08574	9.0
133.10103	6.0
135.10675	2.3
135.11682	7.8
145.10121	2.2
147.11731	4.2
149.13268	18.5
159.11667	10.5
163.14824	2.1
177.12756	4.8
194.33498	2.0
195.13791	7.5
198.28732	2.2
243.21069	2.1
261.22174	8.8
261.76611	1.8
267.16141	2.6
269.17480	66.6
270.17783	2.4
322.01044	1.8
334.67816	1.7
335.25754	51.4
455.35422	2.0
529.38892	100.0
530.39124	7.8
547.39484	2.6
653.57251	2.1
726.44696	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	728.4211
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19630	2.1
55.05515	7.9
56.05040	3.8
57.03434	9.5
57.07061	3.1
60.04525	98.5
67.05503	18.6
69.03436	7.3
69.07060	8.1
70.06609	3.8
71.62489	2.7
73.02912	16.0
74.06120	2.9
79.05062	2.3
79.05470	10.9
81.03393	3.1
81.07049	56.9
82.07420	2.7
83.04987	3.9
83.08607	5.6
85.02908	16.5
87.04485	2.6
91.05473	15.2
93.07051	14.0
95.08609	22.0
97.02914	3.7
97.06538	2.7
103.05450	2.7
105.07019	4.9
107.04967	7.7
107.08575	10.9
109.10159	19.7
115.03957	3.3
119.04986	9.6
119.08605	2.3
120.05272	3.9
121.06512	58.9
123.11711	7.2
133.10127	2.7
135.06827	5.7
135.11717	10.2
136.07599	3.6
137.13252	13.0
145.04922	3.6
147.04391	37.9
148.04698	11.7
149.39969	2.1
155.57983	2.4
160.07574	4.9
162.09254	2.7
165.05525	3.9
166.85713	2.4
180.10184	35.1
255.01695	2.3
262.25443	2.6
280.26300	15.0
298.27448	14.7
342.15442	19.6
416.31793	2.9
434.32486	11.8
435.76599	2.5
473.19217	2.5
474.19836	9.5
547.07019	2.7
578.37390	2.8
596.37952	96.5
597.38434	6.7
728.42188	100.0
729.42261	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	729.2749
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87800	0.5
53.03935	1.2
55.01852	1.6
57.03428	0.6
61.02927	0.7
65.03938	12.4
67.05490	2.1
69.03413	2.2
71.04967	1.2
71.59551	0.8
72.08150	0.5
75.04473	0.8
78.03272	0.5
78.04704	1.0
79.05489	2.7
81.03406	1.1
82.04173	1.6
85.02901	5.3
89.03903	1.0
91.05468	6.1
93.03385	2.4
93.07061	0.6
94.04166	0.8
95.01312	1.6
95.04964	2.6
97.02879	1.6
97.06512	1.0
103.05500	2.4
105.07028	4.5
106.04167	1.0
107.04954	7.3
108.02084	1.1
109.02850	1.2
109.06492	0.6
110.03655	11.1
111.04430	21.9
115.05444	2.4
117.03358	1.5
117.07020	0.8
118.04156	1.1
119.04935	6.3
119.08563	0.8
121.06477	1.2
122.03595	1.2
123.04432	2.4
124.05186	1.2
125.05984	17.3
127.03919	0.9
128.06215	1.6
129.07002	2.6
130.04115	0.7
131.04895	4.1
132.05733	0.5
133.02840	2.2
133.06509	4.1
134.03654	0.9
135.04416	1.0
136.05196	1.4
137.05963	8.4
138.03146	1.2
143.04935	0.7
144.05707	1.1
144.75298	0.5
145.02852	0.7
145.06483	2.9
146.07297	0.6
147.03224	0.7
147.04404	10.7
147.08055	2.0
148.05009	0.5
149.06000	2.7
151.03947	1.5
151.07547	2.9
152.04623	0.9
153.05455	84.9
154.05807	1.0
155.04904	0.8
157.06497	0.7
159.08049	4.7
160.05171	0.9
161.05969	7.2
161.09587	1.0
162.06738	0.8
163.03917	3.9
163.07524	2.1
164.04613	0.8
165.06917	0.9
167.07031	32.8
168.07455	0.6
171.04401	1.4
171.08005	0.8
172.05197	1.4
173.05957	1.1
175.07529	7.1
176.04639	0.6
177.05463	3.7
177.06860	1.0
178.07785	1.6
179.07008	5.5
179.08394	0.9
181.04994	0.7
181.06398	0.6
184.05185	0.7
184.69624	0.5
185.05988	1.9
186.06786	3.8
187.07527	7.1
188.64063	0.6
189.05438	4.8
189.07019	1.6
189.09015	0.6
190.07822	2.4
191.07143	3.1
191.08458	3.5
192.04109	0.7
192.09293	0.8
193.06569	1.1
193.08553	0.7
193.10133	0.9
194.07281	2.2
195.08096	0.7
198.06743	1.4
199.07526	4.0
201.05429	1.0
202.07732	2.5
203.06905	1.0
203.08557	3.1
204.09241	0.7
205.06525	2.8
205.10130	1.1
206.07150	2.4
207.06444	2.3
207.08112	2.3
208.08810	1.6
209.07980	0.6
214.06215	1.3
215.06868	2.7
215.08763	0.9
216.07796	11.3
217.06427	1.6
217.08389	0.8
218.07283	4.9
219.08026	9.5
220.08809	4.9
221.05898	2.7
221.09491	2.7
222.06816	0.6
223.07521	1.7
225.09004	0.8
229.06468	1.2
229.08568	8.5
230.07208	1.2
231.08055	3.9
232.08838	1.4
233.05981	3.3
233.09552	3.3
234.06728	2.7
235.07513	5.5
236.08260	5.4
237.09111	2.8
245.06004	1.2
245.09570	0.7
246.06734	2.3
247.07555	6.1
248.08310	4.7
249.05490	1.2
249.09084	6.7
250.06122	1.3
250.09869	2.1
251.06996	1.9
251.10657	13.7
252.11266	1.0
253.08632	1.7
258.06741	0.9
259.07574	2.3
260.08371	2.3
261.05609	3.6
261.09009	4.3
262.06274	2.0
262.09808	1.4
263.06985	4.0
263.10736	2.1
264.07788	11.1
265.08530	8.3
266.09335	1.8
267.06711	0.6
273.05420	0.9
274.06201	0.5
275.07040	4.0
276.07779	10.2
277.08621	7.4
278.06302	0.8
278.09348	5.3
279.10135	8.8
280.07648	0.5
280.10883	1.3
281.08127	2.3
281.11679	3.2
283.13275	0.7
287.06830	0.7
288.07785	2.2
289.08514	3.5
290.09302	1.9
291.06851	0.7
291.10062	5.4
292.07318	2.3
292.10812	1.3
293.08047	6.2
293.11667	2.1
294.08847	1.8
295.09659	1.6
296.10345	0.7
301.08508	0.9
303.10132	0.9
304.07324	2.2
305.08063	2.7
305.11459	0.9
306.08908	2.2
307.09613	47.5
308.10324	7.2
309.07684	0.9
309.11133	6.4
311.12668	3.3
319.09604	12.1
320.10364	2.2
321.07706	0.9
321.11172	3.2
322.08142	0.6
322.11829	0.9
323.12848	5.1
324.09943	1.1
324.13574	0.7
325.14359	1.0
336.09915	1.4
337.10635	3.0
339.12244	100.0
340.12723	2.3
341.13815	6.4
351.12231	30.5
352.12866	2.0
353.13647	4.4
354.14279	0.6
369.13263	4.5
370.14044	0.8
371.14899	0.7
421.05435	1.4
499.17291	1.5
501.18967	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52534	0.4
53.03934	0.7
55.01865	3.2
57.03426	1.3
61.02920	1.5
65.03939	1.6
65.23910	0.4
67.05501	1.0
68.99776	5.3
69.03432	4.5
71.04986	1.2
71.58649	0.7
73.02886	0.4
79.05476	1.3
81.03414	2.8
83.01349	0.6
83.04982	1.0
85.02900	11.4
91.05465	5.4
95.04974	4.8
97.02894	4.1
99.04438	0.5
105.04526	0.5
105.07016	0.9
107.04946	85.8
107.46296	0.4
108.05280	0.7
109.02879	2.0
110.32687	0.4
111.00828	3.0
111.04425	2.3
117.06986	0.6
119.04934	61.3
120.05222	0.4
121.02864	9.3
121.06501	1.2
123.04418	41.1
127.03905	6.1
129.07048	0.8
131.04935	2.3
133.06490	8.2
133.47757	0.4
135.04411	3.8
137.02301	1.7
137.05960	1.5
139.03893	35.7
141.06964	0.9
143.04927	0.6
145.04988	1.6
145.06465	12.5
147.04399	65.4
148.04796	0.7
149.02338	8.2
149.05969	1.1
151.03897	24.2
153.01808	0.5
153.06949	0.7
155.03308	2.3
157.06477	5.7
159.04453	0.9
159.08031	1.1
160.05214	0.4
161.02344	0.5
161.05969	7.8
163.02524	0.8
163.03891	12.5
165.01758	0.7
165.05463	6.1
165.06981	1.6
167.03397	14.5
169.05026	0.8
169.06476	1.8
171.03261	0.3
171.04388	12.2
171.07965	1.9
173.05952	1.3
175.03873	3.6
175.07515	1.1
177.05449	2.3
179.03389	12.8
179.06970	0.5
181.04932	2.0
181.06502	2.6
183.08067	1.4
185.05971	7.3
187.03929	2.0
187.07523	5.4
189.05461	12.6
191.01640	0.8
191.03378	16.1
193.04971	4.6
197.05942	2.4
199.07515	4.0
201.05467	4.5
203.03369	10.1
203.06900	2.0
205.04948	2.7
207.06534	2.8
209.05937	0.5
211.07538	1.4
213.05466	8.4
215.03333	1.7
215.07030	4.2
217.04919	1.9
221.04396	0.5
223.07571	0.6
225.05455	1.3
227.03465	0.6
227.07013	5.2
229.04962	6.3
231.06506	57.7
232.06775	0.7
233.04413	8.5
239.07021	5.7
241.04927	1.0
243.06503	13.8
245.04448	5.8
245.08060	6.5
247.06015	0.6
251.05325	2.7
253.04733	0.5
255.06505	23.0
256.06833	0.6
257.04431	13.4
257.08041	10.4
258.05115	1.2
259.06009	0.9
267.06503	14.5
267.09412	0.7
269.04428	3.3
269.07962	1.5
271.06033	1.6
273.07550	100.0
274.07904	0.9
275.05466	17.0
279.06479	1.4
283.05872	0.5
285.07571	25.1
287.05481	19.7
287.08765	1.0
291.05685	0.8
291.08640	11.2
297.07495	3.6
299.05383	5.3
299.08017	0.5
303.08572	2.5
309.07492	0.9
311.05368	0.7
315.08621	1.5
321.07547	0.7
327.08542	0.6
333.09534	0.5
339.08380	1.2
357.09631	0.6
369.09894	0.5
375.10736	2.3
377.10400	0.7
379.08090	0.6
381.09592	0.5
391.07932	1.0
393.09598	16.5
394.09686	0.6
395.07172	0.4
395.11356	3.7
399.10651	0.9
405.09549	1.0
409.09009	8.3
411.10736	16.7
417.12103	0.5
419.10580	1.8
423.10538	1.3
427.10184	5.7
435.13181	3.5
437.12415	2.8
439.10266	0.6
447.12811	1.7
453.11960	0.6
517.58246	0.4
545.14294	1.0
549.02637	0.5
563.15070	1.6
571.13934	1.1
579.19232	0.5
635.98438	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.3767
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06599	0.3
70.90600	0.1
71.04993	0.5
71.58728	0.2
85.02917	0.7
93.07069	0.2
107.04951	0.2
107.08605	0.2
119.99101	0.1
123.04414	0.4
124.93130	0.1
135.04378	0.2
135.11681	0.2
139.03870	0.2
147.04419	0.2
153.12740	0.6
161.02951	0.2
163.03918	0.5
185.04222	0.2
193.12073	0.7
203.05258	3.4
211.13052	0.5
211.34531	0.1
247.06059	0.2
253.12784	1.2
271.13824	0.4
283.13876	0.2
372.17273	0.2
373.18317	100.0
374.18710	2.4
375.18845	0.2
391.18091	0.4
471.12918	0.2
723.36102	0.2
724.24115	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.4105
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.5
55.01864	3.2
55.05509	9.8
57.03434	12.0
57.07032	1.1
61.02907	1.1
65.03923	1.2
67.05177	0.9
67.05502	16.3
69.03423	4.6
69.07060	4.5
71.04990	6.0
71.62621	1.2
73.02921	0.9
79.05069	1.2
79.05492	16.7
81.03415	79.7
81.07054	19.9
83.04985	8.2
83.08614	19.5
85.02901	15.9
85.06529	1.5
85.92861	0.7
88.78763	0.8
91.05478	22.0
92.05799	1.1
93.07050	11.9
95.04965	27.9
95.08595	8.3
97.02868	4.6
97.06527	2.4
97.10173	5.9
99.08097	0.9
105.07024	15.5
107.04952	8.9
107.08585	8.1
109.02892	1.2
109.06507	3.9
109.10133	3.3
111.04447	1.9
111.08066	9.2
113.05981	1.0
115.05432	1.8
117.07005	3.0
119.04913	3.9
119.08568	15.7
119.24738	0.8
120.05234	1.0
121.06480	5.1
121.10128	7.9
123.04478	1.3
123.08053	2.6
123.11678	1.6
125.05953	0.7
125.09643	4.4
129.07021	9.2
131.04869	1.5
131.08577	10.0
133.06500	4.5
133.10120	8.5
135.08043	1.5
135.11658	1.0
137.05945	2.3
137.09615	1.5
137.13165	0.9
142.07800	1.6
142.44073	0.7
143.08513	1.4
145.06488	3.4
145.10114	2.9
147.04408	15.8
147.08057	4.8
147.11687	10.1
148.04761	5.8
149.04958	0.8
149.09589	5.7
155.08582	1.5
157.06546	1.3
157.10129	12.4
159.08000	1.3
161.06020	1.4
163.03879	3.0
163.11188	2.0
165.12741	2.9
167.06995	0.9
171.08124	1.3
171.11652	1.4
172.80597	0.7
175.11174	12.3
181.04990	0.8
189.11220	0.9
193.12239	30.4
194.12398	1.0
195.11722	1.2
195.13771	0.8
199.11331	0.8
211.13284	14.8
212.07887	0.8
219.68999	0.8
227.12717	1.1
229.14359	1.1
233.15408	1.1
234.29340	0.8
249.14906	1.2
255.13734	1.3
267.15906	100.0
268.16248	2.4
273.14807	3.9
283.15460	2.1
285.16974	15.1
339.23080	1.0
341.21078	1.1
349.21545	2.9
360.54025	0.9
367.22586	8.1
385.23703	11.1
403.24728	2.9
415.24896	1.0
433.25861	13.5
441.26437	6.7
459.27399	70.9
460.27444	2.0
477.28473	48.4
478.28748	1.7
519.29205	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.4688
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19299	0.2
55.05510	6.0
56.12293	0.2
57.07075	0.3
66.17621	0.2
67.05494	0.4
69.03456	0.2
69.07051	0.2
70.06589	0.8
70.32034	0.5
70.32451	0.4
81.07048	0.3
82.06580	1.6
83.04975	0.5
83.08617	6.7
83.09114	0.3
84.08141	0.6
85.06533	0.6
96.08145	0.2
97.06514	0.3
98.09682	1.1
100.07610	2.1
100.11253	43.8
101.11588	0.4
110.06030	1.4
111.04433	3.5
112.07614	1.1
112.11285	0.4
117.13905	1.0
117.14629	0.2
126.09180	0.9
127.08670	1.5
128.07069	3.6
129.05453	0.3
139.08658	2.8
140.07091	1.1
147.11739	0.4
163.03935	0.5
164.14345	0.5
166.15996	0.4
168.13966	0.2
174.12840	0.2
175.24484	0.2
177.06657	0.2
182.15401	14.3
183.15706	0.4
189.06976	0.4
190.07787	1.0
191.08549	12.9
192.08946	0.4
192.13832	0.7
192.74451	0.2
205.10158	0.3
208.08862	0.6
209.16481	20.2
210.14888	19.5
211.15344	0.3
218.07219	0.2
219.08051	12.4
220.08768	1.3
226.19139	6.4
227.17480	1.4
228.15967	1.3
236.08289	2.3
251.10670	11.5
252.11061	0.4
261.68332	0.2
268.13330	4.9
280.22812	0.2
308.26929	0.6
309.25378	0.3
326.27985	3.6
335.24387	0.6
336.22800	4.4
336.26767	0.3
343.30493	0.2
417.32120	0.6
435.33298	9.8
436.33597	0.4
453.34344	100.0
454.34695	3.0
508.22971	0.2
537.59503	0.2
702.36877	0.2
720.27570	0.3
724.33612	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.4311
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	12.9
55.01867	11.0
55.05509	19.8
56.05017	2.1
57.03436	8.0
61.02931	1.9
65.03931	2.3
67.05502	40.6
68.05050	2.1
69.03428	44.7
69.07069	8.4
70.02947	5.9
70.06606	1.9
71.04980	12.8
72.04513	77.5
73.02908	2.4
79.05010	1.9
79.05487	38.6
79.05952	2.4
80.04997	8.5
81.03415	100.0
81.07052	35.4
82.02945	1.6
82.06587	6.8
83.04978	7.7
83.08595	7.2
84.04474	1.5
85.02901	12.7
86.09676	4.5
91.05482	18.9
93.07039	27.1
94.06570	4.1
95.04968	10.0
95.08604	23.2
96.04495	9.1
97.02886	23.0
97.06538	1.4
97.10159	6.0
99.04453	13.0
105.07037	13.1
106.06546	2.3
107.04943	4.8
107.08585	15.2
108.04473	17.5
109.02880	13.2
109.06480	2.7
109.10171	10.3
110.06020	5.3
111.04445	3.6
111.07996	2.0
115.05461	1.7
117.06998	5.6
119.08615	7.0
120.15935	1.7
121.06477	1.7
121.10157	7.5
122.06010	4.6
123.04416	2.5
123.11697	3.0
124.11221	5.1
124.13004	1.5
124.99977	4.4
125.09608	3.5
127.03924	17.6
129.05463	1.8
131.08565	4.7
133.10139	7.6
134.06000	4.7
135.04393	7.9
135.11673	5.2
136.07600	2.5
145.10098	3.4
147.11661	2.3
149.13234	1.7
150.12747	3.4
152.07092	3.3
153.09111	2.8
157.10194	1.4
159.11728	2.6
161.13170	1.9
170.11746	9.2
173.04462	36.7
178.12250	11.2
184.07332	17.6
188.10670	4.3
189.11287	3.9
193.10324	1.8
196.13321	3.3
199.06079	1.9
206.11768	14.0
216.08679	5.5
224.12814	21.9
227.12769	3.7
244.15503	2.2
252.16104	1.7
280.15451	6.1
298.16528	16.9
335.25745	33.3
336.26218	1.7
350.16257	1.7
368.17056	21.5
386.18106	2.3
405.26215	3.4
424.19443	6.8
442.20752	16.0
512.37476	1.6
530.38342	9.9
540.36353	1.6
558.37933	21.0
617.18939	1.6
702.42017	40.0
720.44031	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	719.3455
Annotation	Unknow
Peak:m/z	Relative Intensity
58.78058	0.2
59.05004	0.3
59.84163	0.2
70.06565	0.4
71.04967	0.8
71.61395	0.4
81.03120	0.5
85.02885	1.4
91.05486	0.4
95.10624	0.2
97.02891	0.4
102.96875	0.3
105.07030	0.5
107.08580	0.5
119.01911	0.8
123.11723	0.3
129.05447	0.2
133.10123	0.6
134.10429	0.3
137.05905	0.2
143.01831	0.3
145.02809	0.3
147.04411	0.4
159.05098	0.4
161.02855	0.4
163.03909	1.4
163.05110	0.2
171.03030	0.2
182.16965	0.2
191.10410	8.2
203.05249	11.9
211.07982	0.3
233.10045	0.3
244.07991	0.3
251.11299	2.1
269.12302	1.8
286.60168	0.2
311.13342	0.8
353.15656	0.7
370.15796	1.0
370.65753	0.8
371.16727	100.0
372.17102	2.7
532.95056	0.3
546.14813	0.3
582.61285	0.3
719.32043	0.4
728.08569	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.4314
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	1.6
53.03947	12.9
55.01880	8.5
55.05262	1.7
55.05511	21.5
56.05028	2.2
57.03438	12.3
57.07049	1.1
58.16666	1.0
65.03922	3.1
67.05503	46.1
68.04997	1.7
69.00692	1.2
69.03427	39.6
69.07066	12.8
70.02950	5.7
71.01328	1.5
71.04992	14.3
71.62036	1.8
72.04517	91.6
72.21328	1.5
73.02909	2.6
79.05494	42.5
80.05013	7.9
81.03418	100.0
81.07058	36.1
82.02946	1.4
82.06583	6.2
83.04983	9.4
83.08622	6.7
84.04509	1.8
85.02898	13.7
87.04462	1.4
90.78057	1.2
91.05476	21.7
91.06003	1.5
93.07041	29.5
94.06580	3.0
95.04974	13.0
95.08613	25.8
96.04488	7.7
97.02891	26.8
97.06535	2.7
97.10165	6.6
99.04456	13.2
103.05495	1.2
105.07019	12.0
106.06554	4.0
107.04954	10.3
107.08590	20.5
108.04482	24.7
108.05227	1.4
109.02203	1.7
109.02883	15.6
109.05264	2.0
109.06487	2.9
109.10141	10.7
110.06054	5.8
111.04440	4.5
113.02386	1.6
117.06996	6.9
118.06533	2.2
119.08589	10.4
120.04462	1.1
121.10129	12.6
122.06014	6.4
122.09562	1.4
123.04467	3.1
123.11726	2.2
124.07582	1.8
124.11250	6.0
125.09636	4.5
126.05508	1.9
127.03926	17.9
128.06223	1.2
129.05492	1.7
129.06999	2.7
131.08562	6.3
132.08105	1.8
133.10144	6.1
134.06009	5.2
135.04416	9.6
135.08067	4.2
135.11655	6.2
136.07555	1.7
138.87335	1.1
143.08554	1.5
145.09019	1.2
145.10123	3.9
147.11697	4.4
149.13289	2.6
150.12714	1.5
152.07056	6.3
153.05513	2.3
153.09125	1.7
159.11717	2.7
160.11214	2.5
169.10139	1.4
170.11757	9.4
173.04454	33.4
173.13304	1.9
178.12230	9.5
180.06497	1.1
188.10712	4.5
189.11168	5.5
196.13315	3.6
198.07619	2.2
199.06003	1.7
206.11797	17.0
207.10133	1.4
216.08690	5.6
224.12817	31.8
226.14568	1.1
227.12718	2.8
244.15527	2.4
261.22128	2.9
276.15619	1.6
280.15363	6.1
298.16440	13.6
335.25784	40.6
350.16022	2.7
368.16980	16.5
378.19373	1.7
386.17975	2.7
405.26218	3.7
424.19879	6.6
442.20749	13.0
460.22006	2.7
476.30310	1.9
530.38324	9.3
540.37085	2.4
558.37830	23.0
586.28455	1.3
635.66711	1.4
702.42114	45.3
703.41748	1.8
720.43433	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	719.3043
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.4
56.88006	0.3
58.93953	0.3
61.02897	0.3
67.05495	0.9
69.07076	0.5
71.04997	0.5
75.41529	0.3
79.05466	0.5
81.03405	0.6
81.07054	1.9
85.02891	0.7
85.06581	0.4
91.05476	0.8
93.07035	0.8
95.04968	0.6
95.08585	0.5
98.20789	0.8
105.07027	0.7
107.04924	0.6
119.05038	0.4
119.08569	0.4
123.04411	0.6
123.11702	1.8
131.04927	0.4
133.10204	0.3
135.04399	0.5
137.05978	4.1
145.02908	0.4
146.39539	0.3
146.45538	0.3
147.04424	0.6
151.07501	0.6
160.05136	0.4
161.05962	0.4
163.03905	2.2
167.07033	2.2
175.07550	0.6
177.05441	0.5
181.04936	0.9
191.06967	0.4
209.08089	0.5
219.09970	0.5
273.02914	0.3
280.40820	0.4
353.13248	0.4
371.14648	100.0
372.15033	1.5
378.22754	0.9
412.17328	4.1
417.15704	0.4
545.17847	0.7
546.18768	0.4
612.23425	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.2528
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.2
55.01878	2.1
57.03413	0.5
59.34196	0.4
60.67156	0.4
65.03602	0.9
65.03939	16.2
67.05505	2.8
68.38248	0.4
70.06592	0.6
70.37934	1.4
71.04981	1.6
75.04469	1.5
78.04703	0.9
79.05483	1.7
81.03400	0.6
82.04202	3.2
85.02895	3.5
89.03925	0.5
91.05487	5.6
93.03405	7.8
93.07042	1.4
95.01322	1.4
95.04955	3.5
97.06555	2.3
103.05461	2.6
105.07027	1.5
105.33359	0.4
106.04179	7.4
107.04947	5.8
108.02090	1.5
109.02876	0.6
109.06504	0.4
110.02879	0.6
110.03659	15.0
111.04440	28.7
115.05469	1.0
117.07030	0.9
119.04925	1.0
119.08608	0.6
121.02866	15.8
121.06496	9.4
123.04401	2.0
123.08142	0.4
124.05238	0.7
125.05991	24.3
127.03949	0.6
129.05469	0.6
129.06972	0.8
131.04933	3.2
132.05724	0.8
133.02835	0.7
133.06491	1.6
134.03644	1.3
134.05978	0.6
135.04411	1.7
137.05969	3.8
138.03105	2.7
138.06824	0.5
139.07568	0.7
141.40848	0.4
144.05681	0.5
145.02861	1.2
145.06438	2.6
146.07234	1.0
147.04416	1.3
147.08046	1.1
148.05171	1.9
149.02269	0.5
149.05983	17.0
151.02087	0.7
151.03912	1.1
151.07570	2.5
152.06197	0.4
153.05461	100.0
153.09000	4.7
154.05827	1.3
155.75955	0.5
157.06512	0.4
158.07359	0.4
159.04353	0.5
159.08105	3.8
160.05244	0.6
161.05984	3.7
162.01343	1.7
162.06761	0.7
163.03914	4.2
163.07559	1.4
164.04199	0.4
165.05489	0.5
165.06914	1.0
167.07045	18.6
167.08557	1.1
173.24419	0.4
174.06804	2.2
175.07545	4.1
176.08308	0.5
177.05476	10.5
177.06947	0.6
177.09091	0.6
178.07748	1.0
179.01637	0.8
179.07002	1.9
179.08568	1.4
181.04945	1.9
181.06506	1.1
181.08594	8.6
182.07254	0.5
183.08046	0.6
185.05945	0.7
186.06779	0.5
187.07542	1.9
189.05525	0.8
189.07022	0.7
190.00813	1.4
190.07852	0.8
191.07001	4.5
191.08620	1.9
192.07887	0.7
193.08595	0.9
194.07300	1.4
195.06540	0.9
195.08005	2.2
196.08882	0.4
197.09673	0.9
198.06708	0.7
199.07527	1.5
204.07814	1.9
205.06595	1.0
205.08510	1.0
206.07167	0.5
207.06416	0.5
207.08263	1.8
208.01820	0.8
208.08771	1.2
209.08076	43.3
210.06732	1.4
210.08537	0.7
211.07579	1.4
213.09193	0.9
215.07010	0.6
216.07777	5.5
217.08542	1.0
218.07253	1.0
218.41498	0.4
219.08081	4.0
220.08798	2.0
221.05949	1.3
221.09511	0.7
222.06627	0.6
223.04234	22.4
223.07367	2.5
223.11253	0.5
224.04704	0.5
224.08334	1.2
225.09103	2.6
226.06262	2.4
227.06967	0.6
229.08578	2.5
233.05893	0.7
233.07903	0.8
234.06787	0.6
235.07481	2.0
236.08348	3.3
237.05453	0.6
237.09055	2.6
238.06250	1.5
239.07039	5.1
239.10637	2.7
240.07739	1.3
241.08702	0.5
246.06841	0.7
247.07446	1.3
247.09663	11.5
248.08131	0.6
249.05634	0.8
249.09029	1.7
250.09995	0.5
251.06952	2.2
251.10646	4.7
252.07803	1.1
253.08614	12.1
254.09377	3.7
255.09982	0.7
261.05273	0.4
261.09048	0.8
262.05905	0.4
263.07031	1.1
264.07813	2.7
265.08603	3.8
266.09277	2.4
267.06613	0.5
267.10175	3.3
268.07330	0.7
268.11093	0.5
269.11697	5.8
270.08701	0.5
276.07779	0.6
277.08600	1.7
278.09482	0.7
279.06824	0.8
279.10153	3.2
281.08118	1.9
281.11624	1.2
282.08865	4.0
283.09561	2.4
291.10172	0.5
292.07285	0.7
293.08136	1.5
294.08771	1.6
295.09604	2.0
296.10648	0.9
297.11215	8.3
297.14301	0.7
298.11551	0.5
304.07233	0.4
306.08755	0.5
307.09613	12.2
308.10345	1.2
309.11179	2.3
310.08356	0.7
311.09116	1.6
311.12738	0.7
312.09009	3.9
313.10660	0.7
321.11221	1.4
325.10706	52.3
326.11267	2.5
327.12360	2.2
329.13828	2.0
330.10034	0.9
337.10599	2.2
339.12274	21.8
340.13025	4.2
341.13785	5.5
342.10602	0.6
351.12271	1.9
352.13214	1.1
353.13770	1.8
355.11829	1.3
357.13321	58.5
358.13776	1.3
359.15018	1.1
369.13333	7.5
370.14288	3.0
371.14951	1.6
387.14337	5.6
486.61938	0.4
539.71765	0.4
543.20221	0.6
547.19446	1.2
717.48273	1.1
718.48608	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.2525
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02388	0.3
53.03946	0.7
55.01871	2.1
57.03431	0.3
65.03939	2.7
65.04252	0.5
66.04692	0.3
67.05501	1.8
68.99795	0.4
69.03439	0.7
70.89165	0.8
71.04998	0.8
75.04485	1.5
77.03899	0.6
78.04693	1.6
79.05483	2.9
81.03404	2.2
81.07054	0.7
85.02897	3.7
86.68922	0.3
89.03914	0.6
91.05477	7.3
93.03407	5.2
93.07038	2.7
94.04218	0.9
95.04967	4.5
97.02844	0.3
97.06523	1.8
98.12282	0.3
102.04700	0.3
103.05463	20.1
105.03381	1.2
105.04437	0.4
105.07021	4.2
106.03447	0.6
106.04166	10.1
107.04950	7.1
108.02111	1.1
109.02888	0.6
109.06517	1.3
110.03648	0.9
111.04459	1.4
115.05441	3.7
117.03381	0.4
117.07029	3.0
118.04158	4.0
119.04945	3.1
119.08558	0.6
120.05721	0.8
121.06501	13.3
121.07368	0.7
122.03648	3.1
123.04424	3.3
124.05215	1.0
125.05988	6.1
127.03893	0.3
128.06174	0.4
128.14038	0.3
129.07002	1.1
130.04140	1.2
131.04922	32.7
131.08568	0.5
132.05754	1.8
133.02895	1.6
133.06490	5.3
134.03625	2.3
135.04379	1.4
135.08078	2.3
136.05231	0.3
137.05971	53.3
138.06412	0.4
139.07535	1.4
141.05429	1.8
141.07063	0.4
142.02594	0.6
143.04916	1.8
144.05704	0.7
145.02838	1.0
145.06470	4.2
146.03667	1.0
146.07306	0.3
147.04428	3.5
147.08052	1.0
148.05180	10.5
149.05977	21.2
151.03899	63.5
151.04944	2.9
151.07423	2.3
152.04547	1.0
153.05470	3.3
153.09088	5.4
155.07047	0.7
157.06512	1.5
159.04382	0.9
159.08064	1.0
160.05241	1.7
161.05989	3.8
162.01326	1.0
162.03140	0.4
162.06752	0.7
163.02184	0.6
163.03900	3.5
163.07536	22.8
164.07834	0.4
165.05466	3.6
165.09108	0.9
166.06279	0.6
167.07037	22.1
169.06465	0.4
171.04399	0.9
171.06598	1.1
172.05206	0.6
173.05983	4.3
174.06758	0.9
175.03941	0.6
175.07541	5.2
176.04666	2.6
177.05464	15.8
177.09050	0.8
178.06190	0.6
178.07736	0.4
179.01637	0.7
179.03365	0.4
179.07085	1.7
179.08476	0.5
180.07803	0.5
181.04951	29.7
181.08562	11.4
181.10207	0.6
182.05197	0.5
185.06012	0.5
187.07541	2.3
189.05472	1.1
189.07167	0.4
189.09000	1.6
190.00873	1.0
190.06216	1.1
191.07018	100.0
192.07712	2.7
193.03171	3.4
193.04927	1.4
193.06906	0.4
193.08562	2.3
195.06537	2.8
199.07484	0.5
201.05431	1.3
203.07030	3.3
205.06535	0.9
205.08598	3.7
207.06511	0.8
207.08282	0.6
207.10182	1.4
208.01892	0.9
209.08078	79.8
210.08463	0.7
211.07552	0.5
217.06679	0.3
217.08600	1.2
219.06337	0.5
219.08177	0.5
219.10046	2.9
221.08014	0.9
222.06763	0.6
223.04228	14.3
223.09688	1.1
225.07426	0.6
227.07027	0.6
229.08464	0.4
231.06508	1.1
233.05920	0.4
233.08012	3.5
234.06741	0.8
235.07474	1.5
235.09657	3.4
237.09052	1.5
239.07005	0.5
239.10719	0.5
245.08011	1.2
247.07428	0.6
249.09045	1.1
251.07011	0.5
252.07874	0.6
253.08578	0.5
259.09656	0.6
263.09134	19.6
265.08563	1.2
266.09158	0.4
267.10114	1.8
269.08212	0.4
269.11526	0.3
277.08508	1.2
279.06580	0.4
279.10028	0.6
280.07196	0.4
281.07947	0.4
282.08154	0.6
283.09698	0.6
293.07993	0.9
295.09662	2.0
296.10251	0.3
297.11185	1.3
299.12671	0.7
300.09109	0.5
305.08142	0.6
307.09756	0.8
309.11090	1.1
312.09048	2.3
313.10657	0.3
323.09048	0.4
324.09860	0.4
325.10709	2.2
327.12262	3.0
329.13797	2.1
330.10077	0.6
337.10593	1.5
339.12347	0.7
341.13666	0.8
351.12140	1.0
353.10275	0.3
355.11725	6.5
357.13263	2.9
359.14752	1.6
367.11798	0.5
369.13385	2.7
371.14914	0.3
385.12796	3.7
387.14365	27.4
388.14749	0.7
399.14154	0.9
417.15472	5.3
540.08710	0.3
541.49066	0.3
547.19183	1.1
579.22150	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.2526
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	0.5
53.03940	0.9
55.01870	2.6
65.03933	3.0
66.04714	0.5
67.05497	1.5
69.03423	0.8
70.85231	0.7
70.85567	0.5
71.04977	1.9
74.42509	0.3
75.04481	1.9
77.03931	0.5
78.04702	1.6
79.05489	3.1
81.03399	2.4
81.07052	1.0
84.11533	0.3
85.02908	4.8
89.03899	0.8
89.06030	0.4
91.05479	7.6
91.06005	0.6
93.03414	5.5
93.07038	2.7
94.04169	1.2
95.04963	6.0
97.06515	1.4
102.04685	0.5
103.05467	21.4
105.03402	1.4
105.04552	0.5
105.07029	2.4
106.04175	9.3
107.04958	6.7
108.02087	1.2
109.02893	0.8
109.06519	1.2
110.03674	0.6
111.04415	2.0
115.05447	2.8
117.03356	0.8
117.07026	2.7
118.04159	3.7
119.04951	3.0
120.05736	0.8
121.06502	14.3
122.03638	3.2
123.04415	2.8
124.05219	1.1
124.07603	0.5
125.05992	6.1
128.06223	0.9
129.05505	0.5
129.07002	1.4
130.04163	1.1
131.04924	36.2
132.05650	1.3
133.02832	1.7
133.06490	4.2
134.03624	2.2
135.04407	2.9
135.08025	2.2
136.01433	0.5
137.05972	62.0
138.06441	0.5
139.07538	1.4
141.05461	1.6
142.02597	0.5
143.04933	2.0
144.05649	0.6
145.02855	1.3
145.06497	4.2
146.03560	0.9
147.04427	2.2
147.08038	2.0
148.05183	10.4
149.05980	24.1
151.03899	76.8
151.04935	3.0
151.07492	2.7
152.04205	1.0
153.05486	3.3
153.09076	5.3
157.06456	0.8
159.04445	1.2
159.07996	1.0
160.05211	2.0
161.05977	4.0
162.01335	1.2
162.06802	0.6
163.02237	0.5
163.03893	8.6
163.07538	24.1
164.04276	1.1
165.05475	3.9
165.09138	1.0
166.06232	1.0
167.07042	18.6
171.04381	1.2
171.06549	1.0
173.05977	4.4
174.06749	0.5
175.07536	5.8
176.04666	2.9
177.05463	16.0
177.09102	1.2
178.06152	0.8
179.01643	0.8
179.07033	2.7
179.08417	0.5
180.07788	0.5
181.04961	25.3
181.08560	13.4
182.05362	0.6
187.07510	3.1
188.08281	0.5
189.05443	1.2
189.07091	0.6
189.09109	1.5
190.00809	1.3
190.06181	1.1
191.07024	100.0
192.07593	2.5
193.03181	1.4
193.05005	1.1
193.08633	2.2
195.06537	3.4
201.05531	0.6
201.09041	0.5
203.07005	3.9
204.07645	0.4
205.06506	1.1
205.08583	3.2
206.07405	0.7
207.06406	0.9
207.08347	0.5
207.10280	0.8
208.01883	1.4
209.08081	87.2
210.08412	1.3
211.07481	0.4
213.09120	0.7
217.06523	0.6
217.08563	1.1
219.08109	0.9
219.10185	2.4
221.07935	0.9
222.06737	0.4
223.04233	16.3
223.09615	1.1
224.08292	0.5
231.06488	1.4
233.06029	0.7
233.08070	4.0
234.06816	1.1
234.10466	0.8
235.07463	2.0
235.09657	3.5
236.08282	0.5
237.09071	2.5
245.08110	1.0
247.07393	0.6
249.09047	2.4
250.09935	2.2
259.09778	0.7
261.05453	0.5
262.06235	0.5
263.09152	20.2
265.08951	2.0
265.12250	3.4
266.09067	0.6
267.10123	1.9
277.08569	2.2
277.12561	0.4
278.09390	0.6
279.10110	0.8
281.11578	0.7
282.08615	0.4
282.14691	2.0
283.09723	0.7
287.05524	1.2
293.08038	0.9
294.08652	0.6
295.09537	1.6
297.11182	1.2
301.10782	0.5
305.07980	0.6
307.09641	0.8
309.11130	1.0
312.08926	2.6
314.11346	0.7
323.09048	0.4
325.10788	1.9
327.12216	3.1
329.13962	1.8
330.10010	0.7
337.10800	2.0
339.12195	1.2
341.13904	0.8
351.12106	1.2
355.11768	6.9
357.13361	2.6
359.14825	1.2
369.13254	4.1
385.12741	1.6
387.14362	36.4
388.14706	1.0
392.76639	0.4
399.14038	0.5
410.12280	0.7
417.15485	2.5
468.22128	0.4
547.19360	0.9
579.22363	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.2004
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	0.7
53.03938	0.9
55.01867	1.0
55.05502	0.7
55.47200	0.4
57.03434	6.4
59.05013	0.5
61.02931	2.8
65.00787	0.5
65.03941	1.6
67.05499	1.0
68.99793	2.1
69.03426	7.5
71.04990	37.6
71.59355	0.6
71.70448	0.4
72.05320	0.6
73.02923	2.0
75.04480	1.2
75.30527	0.4
79.05493	0.7
81.03411	2.9
83.04990	3.0
85.02901	64.4
86.03255	0.6
87.04470	1.3
89.03925	0.5
91.03967	1.1
91.05485	0.4
93.03392	0.5
95.04943	1.3
97.02887	8.6
99.04433	1.6
102.63329	0.3
103.03953	0.8
103.05496	0.5
105.03391	0.6
105.07027	0.5
107.04948	3.0
109.02901	2.9
111.00797	3.9
111.04434	9.5
115.03897	0.5
119.04927	1.1
121.02819	0.6
121.06530	0.6
121.49066	0.3
123.04424	100.0
124.04752	1.9
127.03909	18.6
127.94611	0.4
129.05473	13.3
129.99773	0.4
131.04933	1.2
133.06479	1.6
135.04413	29.5
137.02390	0.7
137.06009	1.3
139.03896	61.3
140.04291	0.7
145.04953	2.6
145.06476	0.4
147.04414	8.3
147.06490	5.2
149.02299	4.2
149.05981	1.5
151.03893	22.6
155.37256	0.4
157.06450	0.5
159.04442	2.0
161.05969	2.1
163.03900	22.2
163.07550	1.6
164.04262	0.7
165.05496	1.3
167.03394	0.8
169.05002	0.9
169.06418	0.5
173.05960	1.1
175.03877	1.1
177.05478	1.9
179.03336	1.9
181.04955	1.5
181.06461	0.6
185.05945	0.8
187.03873	2.0
187.07574	0.9
189.05470	2.1
191.03375	0.7
193.04962	1.5
197.05997	1.1
199.07454	0.8
201.05502	1.6
203.05281	0.6
203.07056	1.8
205.05025	1.9
213.05460	1.2
215.06961	1.0
217.04912	0.8
219.01782	0.8
219.06583	0.7
225.05452	0.8
227.07144	0.5
229.04944	1.8
231.06551	3.5
237.02800	0.8
243.06442	2.3
245.08072	0.5
247.05963	0.6
249.07500	1.0
253.04904	1.1
255.06418	1.3
255.08653	1.5
257.08044	2.6
259.06046	4.8
261.07565	10.4
267.08698	3.7
271.06003	13.3
272.06427	0.5
273.07556	47.9
274.07880	1.4
283.05914	1.0
283.08597	0.5
285.07104	0.9
285.09714	1.6
289.07059	60.4
290.07376	1.6
291.08557	2.9
295.05981	2.3
297.07605	0.4
301.07068	1.4
310.03650	0.4
313.07037	5.2
325.08987	0.7
327.08536	0.5
331.08206	3.6
337.06863	0.7
355.08163	3.2
369.15039	0.8
370.15643	0.5
371.16357	0.7
381.09644	1.8
395.20471	0.4
399.10751	2.5
409.12866	2.9
415.10339	1.0
417.11862	5.0
419.13263	0.7
433.11234	2.7
435.12976	3.0
451.12357	20.0
452.12665	0.8
499.60925	0.4
597.17755	1.4
649.16553	0.5
657.92755	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.551
Annotation	Soyacerebroside I
Peak:m/z	Relative Intensity
52.57862	0.4
53.03944	0.7
55.05261	0.4
55.05507	5.4
56.04791	0.3
56.05040	3.9
57.07084	2.7
60.04522	2.0
65.03928	0.6
67.04234	0.4
67.05505	11.6
68.05013	1.3
69.03413	1.0
69.06727	0.6
69.07069	7.6
70.06590	2.1
70.20760	1.6
71.08638	1.6
79.05059	0.6
79.05486	8.9
79.90302	0.3
80.05019	3.0
81.03389	0.8
81.05798	1.8
81.06582	0.5
81.07050	10.0
82.06578	7.2
83.08620	5.0
85.02908	3.0
85.10159	1.0
86.05996	0.4
91.05476	8.4
93.05757	0.4
93.06467	0.6
93.07038	9.1
94.06566	18.2
95.04980	1.7
95.06750	0.4
95.07349	7.5
95.08596	8.9
96.08129	5.6
97.02863	0.5
97.06509	0.7
97.10167	2.2
98.06039	0.4
100.07596	0.5
105.07028	6.3
107.07359	0.5
107.08591	5.4
108.08127	3.4
109.10154	3.7
110.09629	0.5
111.11707	0.9
119.08578	4.9
121.08867	0.4
121.10133	4.6
122.09662	2.0
123.11697	1.1
124.11211	0.5
127.03896	0.4
131.95490	0.4
133.10123	4.4
135.10460	0.7
135.11668	2.9
136.11198	0.7
137.13275	0.6
147.11708	1.0
149.13213	1.4
151.14803	0.6
161.13326	0.9
163.14822	0.7
182.19109	0.3
186.66176	0.4
191.17941	0.6
193.19467	0.4
196.20628	0.3
197.22672	0.3
219.21025	0.8
233.22624	3.0
234.22278	0.7
245.22664	4.8
250.25302	9.0
254.24754	1.0
260.23676	0.6
262.25290	100.0
263.23462	0.8
263.25674	1.2
264.26788	0.5
272.25845	4.2
280.26306	6.7
312.25372	0.6
331.83450	0.3
475.39948	0.4
504.47803	5.4
516.47723	31.6
517.48120	0.6
518.49292	5.7
534.48810	20.0
535.48816	0.6
568.09161	0.4
696.54034	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	715.3143
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41065	0.1
55.21626	0.2
56.96527	0.2
57.03430	0.2
58.00854	0.2
69.03410	0.4
70.06553	0.3
71.00011	0.3
71.04986	0.4
85.02908	0.9
91.05487	0.2
93.07027	0.2
97.02885	0.2
98.97591	0.2
105.07047	0.3
107.04959	0.3
107.08575	0.3
116.98617	0.2
121.06508	0.4
121.10185	0.2
127.03909	0.3
131.04852	0.2
131.38780	0.2
137.05952	0.2
139.03883	0.2
149.09604	0.8
151.03906	0.2
158.99672	0.2
159.66040	0.2
163.03915	1.1
177.00703	0.2
185.06917	0.2
189.08867	8.7
190.09302	0.3
193.06297	0.4
195.08569	0.2
201.87019	0.2
203.05246	4.0
207.09894	1.0
237.02837	0.3
241.07503	0.2
259.06537	0.3
265.07465	0.3
325.08752	0.3
366.14307	0.9
366.64279	0.3
367.14996	0.3
367.65219	0.4
368.16483	0.2
369.15204	100.0
370.11032	0.3
370.15518	2.7
499.16513	0.2
642.59778	0.2
678.21814	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.4575
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.5
55.01877	3.7
55.05513	15.2
56.05027	1.7
57.03443	10.5
57.07075	30.8
58.06610	0.7
61.02904	1.4
65.03934	1.2
67.05169	1.2
67.05501	17.4
68.01392	1.2
68.05022	1.4
69.03442	1.0
69.07062	6.8
70.02945	4.2
70.06597	0.9
71.04989	1.1
71.08240	1.0
71.08624	19.1
71.08992	1.3
72.04515	86.9
73.02899	0.8
75.25784	0.7
79.05055	1.1
79.05491	15.1
80.05014	9.7
81.03418	1.5
81.06574	1.3
81.07050	20.9
82.02946	3.6
82.06590	7.6
83.04973	1.5
83.08608	8.9
84.04491	1.9
85.02871	1.2
85.06524	1.1
85.10181	12.4
89.06020	1.3
91.05486	6.9
93.05789	0.7
93.07041	6.1
94.06566	2.2
95.04949	2.3
95.08606	18.0
96.04482	11.3
96.08128	1.3
97.10180	5.5
98.06052	1.9
105.07011	4.0
106.06521	0.8
107.04961	1.0
107.08596	5.7
108.04479	12.5
109.05248	2.0
109.06536	1.8
109.10165	7.7
110.05515	0.6
110.06059	6.4
111.11668	0.9
115.05443	1.3
117.06998	2.7
118.06551	1.1
119.08554	1.2
120.08128	0.9
122.06010	2.5
122.09666	1.4
123.11694	2.9
124.11227	5.8
125.09659	1.2
126.05489	1.6
132.08041	0.9
133.10094	0.7
135.08026	3.0
135.11710	1.0
136.07570	1.2
137.09596	0.9
137.13284	1.4
144.08060	0.8
150.09108	0.8
150.12770	0.8
160.11198	2.0
170.11717	1.0
178.12251	10.6
188.10692	2.0
206.11765	3.5
224.12807	10.6
239.23650	2.1
242.13870	1.5
257.24847	1.5
260.04126	0.8
280.15417	9.6
298.16486	100.0
299.16861	1.8
313.27359	78.6
314.27673	1.6
517.68805	0.8
536.39471	63.7
537.39612	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.3178
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59697	0.5
53.03941	3.7
54.40557	0.4
55.01870	5.0
55.05511	0.9
55.08381	0.5
57.03440	5.1
57.07078	0.9
60.08166	2.1
61.02920	5.2
67.05505	2.9
68.99786	1.1
69.03427	36.6
69.07063	1.7
69.98901	0.7
69.99310	2.5
70.84183	0.4
71.01367	1.1
71.04982	4.0
73.02914	6.7
79.05490	7.4
80.60923	0.4
81.03419	21.6
81.07054	100.0
82.07397	1.3
83.01328	0.7
83.04987	1.4
85.02902	85.8
86.09711	4.1
87.00826	36.8
87.04469	1.9
91.03965	1.5
91.05482	0.8
93.07058	1.6
95.04964	1.3
95.08613	13.0
97.02888	49.7
99.04445	12.2
101.02391	0.8
103.03919	1.3
103.05467	0.8
104.10741	8.2
105.01862	81.3
105.07052	0.9
105.08016	0.5
107.04948	1.2
109.02877	31.9
109.10168	0.7
111.04420	1.2
115.03916	5.9
115.37150	0.4
117.01855	1.7
119.04964	0.5
121.06517	0.9
123.02914	1.2
123.04431	0.7
125.00009	2.6
125.02340	0.6
127.03911	80.2
128.04251	0.5
129.01804	2.6
131.04926	1.5
133.04935	2.4
133.06532	0.7
133.10150	0.7
135.04405	0.8
135.68008	0.4
137.05951	3.9
137.13248	19.9
139.03952	1.0
145.04955	32.3
146.04436	0.7
147.02898	2.2
147.04326	0.6
151.03816	0.7
159.02888	10.3
163.03937	1.9
163.06046	0.6
167.07018	1.3
169.04990	1.0
171.02878	0.6
173.04465	0.7
177.05447	0.9
184.07321	7.3
187.06119	0.9
189.03993	2.6
201.03961	0.6
205.05026	0.7
213.03918	12.0
223.06047	1.3
231.05000	40.8
241.07016	2.2
246.65721	0.5
249.06061	26.8
253.06979	3.8
271.08081	3.9
273.06021	1.8
295.10321	0.9
302.50903	0.5
327.06943	0.8
345.08105	2.8
357.07980	2.6
363.09134	1.0
375.09052	2.8
392.82703	0.5
393.10297	6.8
411.11240	2.9
552.33051	4.4
714.38940	2.5
715.35455	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.3178
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.0
55.01867	5.2
57.03438	5.9
61.02925	5.4
67.05506	1.4
68.99791	1.5
69.03426	42.7
69.07074	0.5
70.85357	1.0
70.85729	0.9
71.01348	0.6
71.04997	4.2
73.02919	5.6
79.05142	0.4
79.05505	3.4
81.03416	21.8
81.07055	54.5
82.07413	0.5
83.01345	1.1
83.04990	1.8
85.02903	92.2
86.03249	0.7
87.00826	41.1
87.04465	3.3
91.03946	1.5
91.05470	0.6
93.07025	1.1
95.04974	1.5
95.08598	4.7
97.02888	53.4
99.03828	0.9
99.04453	14.5
101.02380	1.0
103.03933	1.9
104.10734	0.5
105.01863	100.0
105.07046	0.7
106.02209	0.6
107.04968	0.7
109.02876	33.4
110.03178	0.6
111.04448	1.1
115.03915	4.8
117.01839	1.8
117.05512	0.6
119.04910	0.7
121.06516	1.0
123.02892	1.3
123.04401	0.9
124.99997	0.5
125.02332	1.0
127.03912	91.4
128.04257	0.9
129.01849	3.1
131.04936	0.8
133.04982	2.1
136.07481	0.5
137.05957	2.9
137.13248	7.8
137.79652	0.4
138.09183	0.6
139.03934	1.3
145.04953	37.9
146.04442	0.8
147.02875	1.4
147.04398	0.8
150.07570	0.6
150.09105	0.5
151.03882	1.3
153.05379	0.5
159.02875	9.8
160.29919	0.5
163.03873	1.3
163.05978	0.5
163.07401	0.5
165.05400	0.8
166.08646	1.4
167.07060	1.7
169.04961	0.9
171.02859	1.0
171.11653	0.5
174.49933	0.5
175.07474	0.4
177.05444	0.6
179.06970	0.6
181.04968	0.6
184.07417	0.6
187.06068	0.5
189.03969	3.0
193.04880	0.6
201.03922	1.2
211.06001	0.6
213.03929	12.6
223.05978	0.7
231.04997	54.5
232.05330	1.0
241.07021	1.4
249.06059	40.0
251.11848	0.7
253.07008	5.2
259.08011	0.5
265.09747	0.6
271.08075	4.6
273.05960	0.7
279.10437	1.4
289.09818	0.8
295.10239	0.9
301.09161	0.7
323.58893	0.5
327.06976	1.8
327.13431	0.6
335.10355	0.9
339.13513	2.2
340.38156	0.5
345.08163	5.2
353.10870	0.5
355.12842	1.0
357.08267	3.5
363.09027	1.5
367.13077	2.3
375.09259	5.5
393.10254	13.5
411.11362	8.6
488.17404	0.6
506.18970	0.6
520.20770	0.9
650.23425	0.9
682.26141	4.9
714.39191	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.3019
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	5.9
54.72094	0.6
55.01855	5.5
55.05499	3.0
57.03434	9.2
60.04507	1.4
61.02926	6.6
65.03947	1.3
67.05478	1.8
68.99776	3.6
69.03426	45.8
69.07060	1.8
70.06578	1.0
71.04986	7.0
71.59248	1.5
73.02917	10.8
79.05486	7.8
81.03414	28.2
81.07061	2.7
83.01350	0.9
83.04984	1.8
85.02901	100.0
87.00826	46.9
87.04460	1.5
91.03943	0.9
91.05479	12.6
93.07040	38.5
95.04973	5.7
95.08617	1.3
97.02886	66.2
97.06560	1.1
99.04450	14.0
101.02383	1.2
103.03953	2.3
105.01862	94.5
105.07009	4.6
107.04967	1.7
107.08587	43.6
109.02875	42.8
109.03661	0.7
109.06525	1.6
109.10145	1.0
111.04454	1.5
115.03930	4.6
116.98587	0.8
117.01849	2.4
120.71069	0.7
121.06535	1.9
121.10145	1.4
122.06010	0.9
123.02942	1.6
123.04423	1.3
125.02371	1.9
125.05930	0.8
127.03909	96.4
128.04211	0.9
129.01846	4.1
131.04947	1.2
131.08606	0.9
133.06467	0.9
133.10106	1.6
135.11690	25.6
137.05977	10.0
139.03938	1.2
145.04955	28.7
145.10176	0.9
146.04460	1.2
147.02940	2.1
147.04420	2.7
149.05920	1.1
151.03902	1.2
159.02899	11.0
161.05930	0.8
163.03917	3.0
163.06042	1.0
164.04288	0.9
165.05374	0.8
167.07045	2.3
168.06546	1.0
171.02899	1.1
175.03818	0.7
175.07520	1.3
177.05434	1.3
181.04951	1.2
183.02992	0.9
187.07758	0.8
189.03917	4.7
193.04915	0.8
193.08604	0.9
205.04965	0.9
213.03947	15.7
223.06075	1.6
231.04994	49.3
241.07117	2.4
248.47607	0.9
249.06044	31.0
253.07048	4.2
259.08231	1.1
271.08041	4.5
273.06055	3.5
279.10248	1.4
296.12769	1.0
327.07327	1.2
345.08398	1.0
357.08145	2.4
363.09326	1.2
375.09277	3.1
393.10187	7.6
393.13803	0.6
411.11536	2.8
587.47156	0.8
685.94617	1.1
712.25977	3.2
712.38678	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	711.3158
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	0.2
53.00297	0.2
53.03940	0.3
55.01876	0.6
55.05508	1.6
57.07069	0.4
64.83006	0.1
65.03930	1.3
67.05508	2.6
67.87428	0.1
69.07068	0.3
69.26982	0.7
69.27409	0.7
72.27200	0.1
73.06543	0.2
79.05491	3.1
81.07055	52.9
82.07389	0.3
83.04979	8.3
91.05477	8.1
93.07042	0.6
95.04930	0.2
95.08604	8.9
97.02914	0.1
99.00826	0.5
101.06020	0.7
107.04940	0.4
107.08560	0.3
109.10134	0.5
119.04940	20.7
120.05273	0.2
135.11719	0.4
137.13249	17.3
145.06502	0.1
147.04404	100.0
148.04738	0.7
153.12729	0.4
165.05490	2.3
172.95258	0.1
181.04906	0.1
199.06013	1.0
213.09125	1.4
237.09113	0.2
247.09674	3.9
335.18466	0.8
335.25778	0.4
363.10751	3.0
411.14447	1.1
499.23254	21.9
500.23343	0.4
575.19049	0.7
711.31476	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.3955
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	0.6
53.03932	0.9
55.01869	1.0
55.05301	0.6
55.05514	5.9
57.03434	11.7
57.07052	0.5
61.02925	6.9
63.59459	0.6
65.03931	0.9
67.05505	20.5
69.03416	2.3
69.07070	7.2
71.04987	3.9
71.27924	1.2
71.28275	0.5
73.02908	3.3
73.32038	0.5
75.04478	0.6
79.05493	22.5
81.03413	2.7
81.07054	25.7
83.04979	1.9
83.08618	4.4
85.02433	0.6
85.02909	11.4
85.06537	2.8
86.80233	0.5
87.04482	0.8
91.03960	7.1
91.05479	19.0
91.06339	0.8
93.07040	31.2
95.04955	2.8
95.08604	22.2
97.02890	5.8
97.06521	2.4
97.10150	1.9
99.04449	1.0
99.08082	2.2
100.88718	0.6
103.05499	0.7
105.07028	19.6
107.05030	0.6
107.07862	1.0
107.08594	20.5
108.08891	0.5
108.87304	0.5
109.02908	0.8
109.06498	2.9
109.10159	10.1
111.04441	0.7
111.08065	2.1
113.09619	0.8
117.07000	6.6
119.04945	0.7
119.08577	16.6
121.06529	1.0
121.10138	18.7
123.08051	1.9
123.11694	2.0
125.09627	1.5
127.03921	2.5
129.05464	1.2
129.06940	2.8
131.07040	0.9
131.08563	11.5
133.10130	16.1
135.08072	1.5
135.11694	16.2
135.36606	0.5
137.09653	1.0
137.13283	0.6
140.68126	0.6
143.08562	3.7
145.04968	2.5
145.10114	9.2
147.04399	2.2
147.08044	0.6
147.11679	12.9
148.04716	1.0
149.09613	1.6
149.13246	8.5
151.11191	1.5
153.12778	0.8
157.10109	3.6
159.11694	9.5
161.09560	0.6
161.13243	7.6
163.03868	2.1
163.06032	3.7
163.11151	2.3
163.14839	1.6
165.12782	1.0
167.10703	0.5
171.11702	3.5
173.11859	1.0
173.13249	5.4
175.14827	4.4
177.12766	3.3
179.14279	0.9
181.12077	0.7
185.13248	4.1
187.14801	5.5
189.12643	0.7
193.12328	0.8
195.13934	0.7
197.13260	0.7
199.14862	2.6
201.16380	3.4
203.17938	0.7
205.15875	2.8
213.16440	0.8
217.16113	0.6
217.19376	0.8
219.17386	2.1
221.18962	1.1
229.14386	1.2
231.17439	0.8
231.21086	0.8
241.19531	9.2
255.15961	0.9
259.20569	20.1
261.22327	0.9
269.17496	4.1
277.21631	19.4
293.21048	1.3
311.22266	0.9
333.24207	4.6
343.26450	0.5
349.23682	0.7
351.25284	100.0
352.25616	2.9
353.53079	0.5
361.13861	0.6
367.22821	0.7
369.26343	3.5
393.26410	1.2
413.21686	0.5
417.26263	0.7
421.25922	1.5
441.26132	1.3
459.27515	1.5
477.28549	2.9
495.29498	4.8
513.30591	9.4
710.32965	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.3947
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.8
55.01877	3.9
55.05510	10.6
56.96577	0.8
57.03432	6.9
57.07072	1.3
59.04996	1.0
61.02927	8.1
65.03957	1.4
67.05505	28.5
69.03423	3.4
69.07065	12.3
71.04999	4.7
71.59312	1.1
73.02916	4.1
79.05492	22.5
81.03400	3.2
81.07055	28.6
83.04971	4.0
83.08622	8.1
85.02415	1.4
85.02901	13.6
85.06529	2.8
87.04462	0.9
91.03961	7.3
91.04963	1.2
91.05483	14.6
93.07043	30.6
93.07630	1.5
94.07389	0.9
95.04969	3.0
95.08606	21.5
97.02896	5.2
97.06526	5.7
97.10173	5.0
98.61809	0.8
99.04432	1.0
99.08057	0.9
103.05454	1.0
105.07023	17.2
106.07307	0.8
107.04971	1.9
107.08591	23.6
108.08914	1.3
109.02861	1.0
109.06491	2.7
109.10152	18.4
111.04424	0.9
111.08086	2.0
117.07016	4.4
119.07793	1.1
119.08586	14.8
119.09398	0.6
121.10140	15.0
123.08060	2.7
123.11712	3.0
125.09644	4.4
127.03920	2.9
129.05510	1.2
129.06993	2.3
131.08565	6.2
133.06572	0.8
133.10133	14.6
134.10374	0.7
135.08086	1.7
135.11691	13.1
137.09598	1.0
139.11186	2.3
143.08569	3.5
145.04938	2.3
145.10101	5.7
147.04398	3.2
147.11687	10.8
149.09644	2.1
149.13257	7.4
151.11142	1.3
157.10152	3.2
159.11673	7.2
161.13249	5.9
163.03893	4.7
163.06027	3.0
163.11145	1.7
163.14854	3.2
165.12741	1.2
167.10634	0.8
171.11679	4.0
173.10428	0.8
173.11740	3.2
173.13281	3.7
175.11197	0.9
175.14821	3.3
177.12743	1.0
179.14404	1.2
185.13268	3.3
187.13249	0.9
187.14839	1.3
189.11214	2.6
189.12773	1.5
197.13023	0.8
199.14772	1.8
203.05937	1.0
221.15535	0.9
227.12820	1.9
229.14337	11.8
231.21191	1.1
241.19557	6.9
245.13821	1.7
259.20563	16.1
261.22217	0.9
267.15854	1.0
269.17401	1.1
277.21622	16.7
333.24261	4.7
351.25290	100.0
352.25531	3.2
369.26334	6.1
385.23825	1.0
393.26477	1.3
398.34982	1.3
421.25500	1.0
459.27399	1.9
463.29843	0.9
477.28488	1.8
495.29718	3.7
513.30688	11.2
710.32770	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	708.3794
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45566	0.9
53.03931	2.9
55.01866	15.3
55.05507	28.2
56.96561	1.9
57.03432	22.8
57.07063	3.1
59.04989	2.2
61.02919	8.3
65.03923	2.9
67.05496	43.7
69.03424	7.8
69.07062	12.6
69.40347	5.3
69.40773	2.6
71.01322	1.5
71.04990	7.3
73.02915	7.6
79.05487	36.3
81.03410	81.0
81.07049	39.7
82.04179	3.9
83.04977	26.1
83.08610	33.2
83.09108	1.3
85.02898	31.5
85.06517	3.2
91.03951	3.4
91.05474	39.4
93.07035	26.1
94.04194	1.2
94.07812	1.3
95.04962	40.1
95.08595	13.2
97.02877	11.0
97.06512	10.5
97.10162	14.4
98.07309	6.3
99.04425	1.8
99.08071	3.0
101.06003	1.0
103.05459	1.0
105.07027	26.2
105.07720	0.9
107.04949	12.6
107.08583	18.2
109.02837	1.0
109.06501	7.9
109.10143	11.6
110.07286	1.0
111.04447	5.4
111.08073	17.7
113.05969	3.4
115.05424	1.7
116.04710	10.1
117.05490	0.8
117.07005	6.4
119.04916	1.2
119.08570	24.3
121.06496	4.5
121.07282	1.0
121.10126	12.8
123.04462	1.0
123.08052	7.1
123.11678	2.4
125.05930	1.3
125.09623	18.1
127.03905	1.7
127.07560	1.7
127.11177	1.3
129.05475	29.6
129.06976	15.0
131.04924	1.1
131.08556	17.1
133.06456	3.6
133.10117	17.4
135.04358	0.9
135.08028	3.8
135.11687	5.5
137.06004	1.8
137.09605	5.5
142.07730	2.6
143.07053	7.7
143.08159	1.1
143.10663	1.6
145.10107	7.0
147.04408	1.6
147.08102	5.4
147.11670	21.7
149.09624	9.6
151.11217	1.2
153.09096	2.3
153.12732	4.2
157.08601	13.3
157.10109	18.7
158.05783	2.0
163.03914	2.0
163.11180	11.2
164.11760	1.1
165.12749	5.6
167.06960	1.3
171.06528	3.9
171.10197	4.7
173.09531	2.6
173.11742	4.1
173.13089	1.0
175.11156	22.1
181.12260	4.5
185.07864	1.2
185.11752	1.7
189.11192	8.7
191.10645	3.7
193.12225	68.9
199.09448	1.6
199.13271	15.3
200.13972	1.7
201.14952	1.3
209.11684	7.1
210.12598	1.1
211.13271	100.0
212.13657	1.6
213.11116	1.2
227.12773	15.1
229.14293	3.8
247.13297	4.0
249.14845	1.4
255.15858	3.3
267.09244	1.7
267.15881	28.9
268.16412	1.2
283.15387	12.4
284.16107	1.8
285.10355	4.7
285.16934	67.5
286.17221	2.0
301.16434	62.9
302.16577	1.1
321.17053	1.8
339.17883	2.1
363.65469	4.9
364.15601	1.0
365.15305	2.1
383.21957	1.0
409.25818	4.8
421.26068	1.2
427.27054	5.0
439.26865	17.5
459.27374	3.6
475.27017	3.1
476.27563	3.9
477.28604	4.4
493.28012	17.8
494.28696	5.1
511.28992	66.5
512.29266	2.4
546.27087	0.9
559.29358	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.4362
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	7.1
55.01871	7.2
55.05262	2.3
55.05513	36.7
57.03440	20.1
57.07072	3.6
59.04998	1.8
60.35099	1.5
61.02926	2.0
65.03934	3.9
67.05505	80.1
69.03434	28.8
69.07071	21.1
71.04990	9.0
71.62768	2.2
73.02931	1.6
76.56284	1.2
77.03907	1.5
79.05494	63.3
79.05965	3.1
80.05805	1.8
81.03418	100.0
81.07056	88.0
81.46516	1.3
82.07359	1.7
83.04986	37.4
83.08623	27.1
85.02908	24.4
85.06549	2.9
91.04903	1.3
91.05483	50.8
93.07047	62.4
94.04212	1.5
94.07374	2.0
95.04964	33.2
95.08605	52.1
96.08920	1.7
97.02887	21.1
97.06532	8.7
97.10171	9.9
99.04452	5.0
99.08069	4.3
101.02380	1.6
105.07030	38.5
107.04939	7.8
107.08598	34.2
109.02887	10.5
109.06538	7.6
109.10157	24.3
111.04449	17.8
111.08094	15.6
113.05987	2.6
116.06236	1.8
117.07040	13.2
119.07788	2.6
119.08582	35.3
121.06536	5.4
121.10143	31.1
123.08076	3.5
123.11710	6.5
125.09624	5.1
127.03927	9.2
128.06219	2.5
129.05515	9.8
129.06996	14.2
131.08574	25.7
133.06528	2.7
133.10129	23.3
135.08026	3.5
135.11700	19.6
137.09598	3.5
137.13264	3.7
141.06963	2.2
142.07773	3.8
143.08530	5.4
145.06471	2.6
145.10138	14.6
147.04358	3.2
147.08072	5.2
147.11674	23.1
149.09627	8.3
149.13226	5.9
149.14319	1.7
151.11197	2.2
153.12772	4.5
155.08545	4.0
157.10155	18.8
159.08067	2.1
159.11700	8.0
161.09599	1.7
161.13271	6.4
163.11139	9.2
163.14798	3.9
165.12747	5.8
169.10165	4.3
171.08064	2.1
171.11676	4.1
173.09653	1.8
173.13234	8.8
175.11177	15.4
175.14818	3.5
177.12769	1.8
181.10185	1.3
181.12184	6.8
183.11749	3.7
185.13339	2.4
187.11115	1.7
187.14851	3.4
191.10745	4.9
193.10411	2.2
193.12248	45.7
195.11580	1.8
197.13309	1.9
199.11230	1.9
199.14842	2.8
201.12749	1.7
211.13295	71.0
212.13702	1.7
227.12677	10.0
229.14359	4.9
233.15199	1.6
243.21097	2.0
249.14938	2.8
261.22119	11.5
267.15884	13.7
273.22018	1.6
283.15335	4.3
285.16989	21.9
289.21527	2.1
303.23041	1.9
317.24750	2.3
327.23538	1.9
335.25812	54.8
336.26141	2.9
337.16656	2.3
337.27390	6.6
339.23373	2.5
351.23062	2.9
355.17511	4.7
363.25208	2.1
369.24207	6.4
387.25308	2.5
405.26505	1.8
427.19791	1.6
429.21146	13.9
443.27960	2.1
460.86786	1.5
461.28668	4.1
479.29736	3.6
527.37195	14.0
545.38361	64.9
545.46753	3.3
546.38763	5.0
561.36224	1.9
563.38989	2.1
569.38599	1.9
635.40015	2.2
653.40503	8.2
671.40674	7.1
689.42487	29.6
690.42529	3.4
707.43347	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	707.4364
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80739	1.6
51.02375	2.4
53.03946	10.7
55.01878	8.9
55.05510	28.7
57.03437	18.6
57.07080	3.3
61.55492	1.8
65.03937	5.0
67.05505	76.5
69.03426	20.6
69.07068	23.5
70.85748	1.9
70.86087	4.8
71.01343	1.8
71.05002	10.5
73.02915	2.3
79.05493	60.2
79.05962	3.0
81.03419	100.0
81.07057	81.4
83.04980	35.8
83.08620	26.9
85.02902	25.5
85.06527	5.2
86.02024	1.8
91.05479	50.7
93.07045	59.3
94.57829	1.8
95.04970	34.4
95.08606	53.5
97.02890	22.7
97.06530	7.0
97.10165	8.0
99.04450	6.2
99.08096	2.4
105.07031	37.4
107.04950	8.6
107.08591	30.7
109.02851	12.5
109.06542	9.0
109.10160	25.7
111.04446	19.4
111.08076	12.9
113.06017	3.0
117.07022	11.3
119.07785	3.0
119.08585	34.4
121.06503	5.3
121.10134	28.9
121.10917	3.1
123.08100	4.5
123.11713	9.4
125.09657	5.5
127.03925	13.0
128.06203	2.1
129.05490	9.7
129.06989	13.0
131.08571	29.4
133.06468	4.7
133.10139	20.4
135.04393	1.7
135.08022	2.6
135.11684	16.1
137.09529	3.2
137.13260	3.7
142.07794	4.2
143.08563	6.5
145.06528	2.3
145.10120	14.1
147.08046	5.6
147.11671	23.2
149.09628	7.8
149.13251	6.6
153.12756	6.8
155.08600	2.0
157.10132	17.5
159.08167	2.0
159.11678	7.3
161.09651	1.9
161.13260	5.7
163.11214	8.3
163.14850	3.2
165.12793	4.6
169.10107	3.3
171.11655	3.9
173.09619	2.4
173.13316	5.4
175.11192	16.1
175.14842	3.1
181.12234	7.9
183.11676	3.2
185.13148	2.9
187.14824	4.3
189.12843	3.4
191.10667	6.2
193.12250	49.4
195.11734	2.8
197.13298	3.6
206.60835	1.8
211.13297	79.8
227.12692	10.8
229.12389	1.7
229.14378	7.7
243.21201	4.0
249.14900	2.4
259.20276	2.7
261.19690	1.7
261.22141	10.7
267.15933	18.0
273.22266	2.0
274.65347	1.6
275.51926	1.7
283.15369	7.0
283.96432	1.8
285.16986	24.4
289.22076	2.1
301.25357	2.4
317.24835	4.0
335.25803	61.4
336.26108	2.6
337.27322	7.3
339.23007	1.7
351.22778	3.3
355.17670	6.4
363.25201	1.9
369.24319	7.4
386.61337	2.0
387.25247	4.2
405.26230	4.1
411.20169	2.1
427.19632	4.1
429.21109	16.8
435.32462	1.9
443.27808	2.4
453.33710	3.3
461.28903	2.7
479.29956	5.1
527.37476	14.2
545.38403	69.3
546.38708	2.3
563.39093	3.8
635.40240	2.1
641.40070	2.4
653.40179	5.9
671.41327	7.7
689.42651	28.1
701.30457	2.1
707.43445	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	707.4364
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	9.5
55.01866	6.8
55.05513	27.6
57.03449	17.6
57.07072	5.0
59.04945	2.3
61.02950	2.3
65.03923	4.7
67.05508	70.5
69.03425	23.3
69.07071	21.6
70.56652	8.6
70.68765	2.1
71.04987	9.2
79.05499	47.0
81.03421	100.0
81.07061	79.9
83.04983	32.5
83.08617	28.0
85.02904	24.4
85.06560	4.1
87.04470	34.2
88.04809	4.7
91.05487	47.7
93.07045	50.6
95.04966	31.7
95.08609	47.5
97.02881	17.2
97.06561	10.3
97.10157	8.2
99.04466	5.4
99.08090	3.0
103.05481	2.7
105.07039	34.2
107.04938	7.6
107.08599	26.1
108.76456	2.1
109.02900	13.3
109.06509	5.4
109.10146	22.5
111.04435	17.5
111.08067	14.7
117.07016	12.7
119.08580	35.8
121.06531	5.8
121.10142	27.5
123.04462	2.5
123.08089	6.9
123.11686	7.2
125.09642	6.0
127.03928	6.4
129.05518	11.1
129.07010	16.4
131.08562	22.9
133.10110	20.5
135.08095	3.4
135.11690	13.1
137.09616	2.4
137.13269	4.1
141.07010	2.7
143.08566	9.1
145.10135	15.8
147.08044	6.0
147.11688	23.9
149.09595	6.8
149.13272	5.4
153.12750	7.5
155.08565	4.3
157.10144	19.9
159.11714	9.5
161.13257	7.8
163.11205	9.0
163.14835	2.9
165.12747	5.2
171.11646	5.0
173.09808	3.7
173.13272	7.9
175.11182	14.6
175.14850	2.7
181.09988	2.7
181.12227	8.0
183.11798	2.7
185.13191	2.9
187.11313	2.6
191.10725	7.4
193.12230	37.9
195.11702	3.7
199.14830	3.5
209.11673	3.0
211.13271	58.5
211.15219	3.0
227.12773	13.2
229.14235	4.3
259.20566	4.2
261.22137	8.4
267.11517	2.3
267.15872	21.4
278.22012	3.0
283.15485	7.7
285.17007	25.4
301.21710	4.8
303.22928	2.4
335.25851	28.2
337.27316	9.1
351.23184	4.6
355.17657	4.5
361.23834	2.6
369.24387	10.6
387.25220	7.2
405.26163	3.0
427.19708	4.5
429.21515	11.9
443.28009	3.6
461.28900	5.8
479.30353	2.7
516.11322	2.3
527.37451	13.3
545.38409	40.9
635.39386	4.7
653.40210	9.4
671.41608	11.4
689.42487	33.1
707.44141	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	707.2091
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77514	0.3
51.28608	0.3
52.81930	0.3
57.03410	0.5
69.03408	0.7
69.75252	0.3
69.95927	1.8
71.04964	0.4
73.02898	0.4
81.03424	0.4
82.88991	0.3
82.99863	0.9
85.02872	1.2
91.73889	0.3
91.77244	0.3
97.02865	1.4
98.21408	0.6
98.97559	0.8
101.00850	2.0
109.02833	0.6
113.00877	0.4
116.10057	0.3
116.98598	0.5
119.01917	10.7
122.01423	0.5
122.51437	0.5
127.02399	0.8
127.03861	0.5
131.01898	6.9
131.52043	0.5
133.03412	0.5
137.01871	2.2
137.02943	2.4
137.51929	0.5
142.03476	0.4
143.00835	0.8
143.01894	12.3
143.03020	0.6
143.51926	0.7
144.01744	0.4
145.00789	0.4
145.02385	0.6
145.03455	6.0
146.99542	0.5
147.01358	0.9
149.01942	0.5
149.02940	0.6
152.02454	2.0
155.01878	6.8
157.03444	3.5
158.02414	0.5
158.52550	0.4
160.01288	1.0
161.02956	17.8
162.03021	0.7
163.04523	1.0
167.01898	4.7
169.01991	0.4
169.03442	1.5
171.01328	0.4
171.05028	2.1
173.02962	18.9
173.52975	0.8
174.02998	0.4
175.04488	1.0
177.00700	0.4
179.01790	2.3
181.03467	0.4
182.03459	0.8
184.04530	0.6
185.02957	29.6
186.03075	1.1
187.04536	3.3
189.00697	0.6
189.06044	0.8
191.03998	1.1
194.03447	0.4
196.02412	0.4
196.04530	0.5
197.02942	14.2
199.04451	0.8
203.04007	12.8
203.54120	0.7
204.04105	0.5
206.02901	0.4
208.04541	1.3
209.03055	0.9
212.04523	0.7
215.04008	8.8
219.01772	1.0
220.04286	0.4
221.03111	0.5
221.05040	0.8
224.04449	0.9
227.03999	6.8
232.03447	1.0
232.53555	0.4
233.05011	1.1
239.04124	1.2
245.05069	100.0
246.05252	3.6
254.05687	1.1
257.04971	4.4
263.06137	12.8
264.06122	0.8
268.76462	0.4
269.04755	0.5
275.06107	12.9
276.06314	0.6
279.03827	0.5
284.06647	4.4
284.56812	1.3
286.07782	1.0
287.06104	0.4
293.07263	4.2
299.05637	0.5
305.07175	12.5
306.07358	1.0
317.07159	0.7
321.05051	0.5
335.08240	3.8
344.09787	1.1
347.08231	1.1
352.15167	0.4
362.09601	0.5
364.09781	0.6
364.59418	0.7
365.09293	43.0
365.59390	2.1
366.09528	3.5
373.08356	0.6
373.58350	0.4
383.10403	4.4
394.09146	0.5
395.09869	0.6
406.12012	1.0
407.10254	1.2
425.11392	47.1
426.11490	2.7
437.11374	3.2
455.12485	3.1
485.13397	1.2
527.14270	0.8
545.13666	0.6
707.18695	7.6
708.18762	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.4365
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	8.0
55.01873	9.6
55.05515	34.2
57.03450	17.9
57.07079	3.4
61.02913	3.8
65.03928	2.9
67.05174	4.8
67.05509	72.9
69.03428	20.1
69.07069	21.1
71.04990	9.0
71.60303	3.6
71.60751	3.8
77.89678	2.8
79.05499	52.3
81.03423	95.2
81.07059	100.0
83.04991	33.8
83.08616	22.0
84.77609	2.9
85.02911	19.6
85.06519	2.9
91.05486	45.9
93.07046	54.9
95.04972	32.8
95.08607	48.9
97.02890	19.1
97.06541	11.7
97.10177	8.1
99.04448	5.7
99.08073	4.4
105.07036	35.9
107.04947	8.1
107.08603	35.0
109.02870	9.9
109.06507	9.2
109.10161	27.0
111.04440	20.5
111.08071	10.7
115.05445	4.3
117.07013	11.2
119.08595	24.2
121.06521	4.1
121.10149	24.0
123.08128	5.5
123.11713	7.9
125.09619	4.7
127.03917	10.9
129.05484	11.7
129.07018	16.5
131.08574	27.0
133.10152	27.9
135.08087	4.8
135.11685	17.2
135.72554	2.8
137.09644	4.1
137.13260	7.1
137.45825	2.7
141.07022	3.0
143.08591	8.7
145.10152	13.1
146.61562	3.4
147.04439	7.7
147.11679	25.4
149.09657	9.3
149.13290	3.5
153.12737	5.3
155.08524	3.5
157.10164	15.3
159.11710	8.8
161.13280	6.6
163.11206	11.0
165.12793	5.1
169.10081	3.0
171.11664	5.7
173.13362	5.4
175.11214	12.5
181.12247	8.4
185.13414	3.2
191.10709	6.1
193.12239	44.0
209.50555	3.2
211.13272	62.9
227.12848	9.6
229.14395	4.7
243.21138	5.0
249.14856	3.5
252.35431	3.3
261.22202	13.2
267.15939	14.3
272.01373	3.1
283.15436	7.0
285.16919	21.7
317.24530	4.6
335.25833	44.2
337.27429	8.1
369.24347	4.8
387.25174	4.3
429.20901	11.8
461.28699	5.4
471.34573	3.2
527.37341	9.3
545.38287	56.9
546.38672	3.9
653.40564	7.4
671.41345	5.1
689.42639	23.9
690.42511	4.7
707.42578	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	706.3641
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	2.5
55.01849	0.8
55.05514	6.4
55.84614	0.6
56.05036	5.2
57.03436	4.2
57.07063	0.8
58.06577	0.7
61.02925	20.9
65.03928	1.6
67.05504	20.3
69.03422	3.6
69.07065	36.6
69.28246	3.9
69.28671	3.2
70.06570	1.5
71.04976	1.3
71.08629	0.8
73.02546	0.7
73.02908	6.5
79.05489	18.9
80.05016	5.6
81.03414	3.3
81.07055	25.0
82.06593	3.4
82.65497	0.7
83.08620	5.8
84.08134	0.8
85.02904	21.8
91.03955	13.7
91.05476	12.8
92.04471	1.0
92.05003	8.4
93.05762	1.3
93.07040	27.6
94.06565	6.9
95.04939	3.1
95.08601	10.4
96.08134	4.5
97.02888	12.3
97.06496	2.1
97.10144	2.9
98.06062	0.8
100.63086	0.7
103.05442	1.2
105.07027	8.2
106.06558	12.0
107.04921	1.4
107.08590	15.1
108.08125	6.6
109.02834	1.0
109.06509	0.9
109.10148	11.0
110.09642	2.3
114.09106	0.7
115.05408	1.8
117.07018	15.2
118.06529	2.5
119.07291	0.8
119.08574	4.1
120.08105	12.4
121.06551	0.8
121.08873	0.7
121.10146	5.5
122.09635	3.0
127.03883	4.7
129.06985	1.4
131.08565	10.4
132.08102	1.7
133.10107	4.7
134.09633	11.5
135.08055	0.7
135.11664	3.0
137.05975	0.9
141.06940	0.8
143.08516	0.9
144.08139	0.7
144.09294	2.1
145.04935	3.8
145.10133	1.2
146.09616	1.7
147.04399	1.3
147.08066	0.6
147.10475	1.1
147.11676	2.3
148.11185	6.1
149.13264	11.0
157.10110	1.2
158.09660	0.9
159.11702	9.8
160.11121	0.9
163.03923	3.4
163.05998	2.0
163.11211	0.8
174.12749	1.6
176.14340	17.4
177.12747	10.4
186.12743	2.0
194.15402	10.4
194.17059	0.8
200.50853	0.7
204.13812	3.5
212.16444	1.9
222.14879	68.1
223.15309	1.7
230.41087	0.7
268.19064	3.1
272.20154	0.9
278.17511	87.6
279.17874	2.9
283.15405	2.2
290.21146	2.4
296.18597	1.1
346.23441	0.7
357.10474	0.7
364.24710	11.5
365.25433	0.8
382.25873	100.0
383.26245	2.8
491.26303	0.9
544.31134	38.7
545.31488	1.3
706.36432	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	706.4656
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78300	0.2
55.05511	0.3
56.05003	0.6
56.89377	0.2
57.03419	0.2
57.07056	0.3
58.06609	0.5
59.04993	0.2
59.07379	0.2
60.08164	6.1
67.05498	0.9
69.03409	0.2
69.07056	0.2
71.07370	3.2
75.85792	0.2
79.05473	0.4
81.03411	1.1
81.07053	1.1
83.04965	0.3
83.08582	0.4
85.02901	0.3
86.09705	30.3
87.04449	0.6
87.10023	0.3
91.05459	0.6
93.07026	0.4
95.04959	0.3
95.08587	0.6
97.02876	0.2
98.98470	2.2
104.10748	2.2
105.07025	0.5
107.08592	0.2
109.10143	0.4
119.08581	0.3
121.10139	0.2
125.00005	19.2
129.05484	0.2
129.07033	0.2
131.08594	0.3
133.10182	0.2
137.13196	0.2
143.01077	0.5
147.11600	0.2
161.79974	0.2
184.07341	100.0
185.07785	0.7
193.12253	0.3
211.13339	0.3
229.14923	0.2
230.68878	0.2
267.16336	0.2
275.20557	0.2
286.00912	0.2
335.26181	0.5
351.62866	0.2
385.19275	0.2
429.20935	0.2
496.34244	0.2
544.36444	0.6
545.38849	0.4
706.47705	8.3
707.47479	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.3639
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22403	0.5
53.03941	2.2
54.14764	0.5
55.01869	4.3
55.05513	6.2
55.98922	0.6
56.05033	11.6
57.03440	5.3
57.07054	0.6
59.05002	0.5
61.02925	22.3
65.03936	2.8
67.05502	30.0
68.05005	1.2
69.03426	7.6
69.07067	22.6
69.95413	1.4
69.95829	1.5
70.02950	4.3
70.06575	1.7
70.56339	0.4
71.01324	0.5
71.04975	2.1
72.04508	1.2
72.08130	0.7
73.02907	7.4
74.09733	0.4
75.04481	0.6
77.03924	0.6
79.05493	24.4
80.05015	13.6
80.05783	0.5
81.03412	5.1
81.07054	34.1
82.06577	6.8
82.07358	0.7
83.01317	0.5
83.04971	1.9
83.08611	5.1
84.08127	1.4
85.02900	23.8
85.06541	1.3
87.04464	0.7
91.03400	0.8
91.03951	13.3
91.05477	15.4
92.05000	2.1
93.07041	24.2
94.06567	6.5
94.07144	0.7
95.04963	5.2
95.08048	0.7
95.08604	9.9
96.04466	0.7
96.07636	0.6
96.08142	6.6
97.02887	13.7
97.06527	7.2
97.10152	1.2
98.06039	1.7
98.09713	0.7
98.20693	0.6
99.04451	2.1
99.08093	0.7
100.07596	0.6
101.02377	0.8
103.05416	0.5
105.07032	7.5
106.06558	5.2
107.04938	2.8
107.07403	0.8
107.08586	11.3
108.04498	0.5
108.08126	3.2
108.79259	0.4
108.89115	0.4
109.02859	1.9
109.06499	2.1
109.10149	3.4
109.14098	0.5
110.05997	0.7
110.09715	2.4
111.08073	1.2
112.07593	0.5
114.09146	2.2
115.03943	1.2
115.05428	1.3
117.07009	8.9
118.06535	2.0
119.07335	0.7
119.08588	3.9
120.08120	3.9
121.06470	1.0
121.10144	4.2
122.09608	0.9
123.08057	0.8
123.11678	0.5
124.07601	0.7
126.09151	0.7
127.03919	5.2
128.06236	0.9
128.15379	0.4
129.06993	1.7
130.06514	0.4
131.08572	9.2
132.08073	2.7
133.09013	0.8
133.10123	5.0
134.09651	3.6
135.08061	1.3
135.10617	0.8
135.11662	5.6
143.08528	2.2
144.08069	0.8
144.09294	0.7
145.04945	5.1
145.10124	2.0
146.09619	1.6
147.04353	0.7
147.10468	0.8
147.11684	1.3
148.11162	3.1
149.09592	0.8
149.13248	7.8
151.11139	0.6
157.10135	1.1
158.09534	0.6
159.11679	7.8
160.11192	1.3
161.12032	0.7
162.12779	1.1
163.03908	1.8
163.05963	2.8
163.11197	0.9
164.14273	0.7
165.12794	0.7
166.15868	0.8
170.11752	0.5
174.12791	0.8
176.14355	8.3
177.12743	100.0
178.13077	1.8
186.12729	0.5
192.13823	0.7
193.12321	0.5
194.15401	76.4
194.37953	0.4
195.15768	1.6
204.13855	3.1
210.14891	0.6
212.16435	15.3
222.14870	6.2
227.12646	0.5
241.10709	0.6
250.17960	1.4
251.16377	3.0
267.15836	0.7
268.19055	19.0
269.17465	1.6
272.20099	3.7
273.24680	0.5
278.17502	3.7
283.15369	1.6
286.20169	2.3
290.21133	27.5
291.21436	0.8
293.17590	0.6
308.22226	3.4
346.23801	1.8
364.24802	75.0
365.25067	2.9
376.21091	0.7
377.19531	0.7
382.25870	44.6
383.26224	1.2
392.24460	0.8
406.25986	0.9
430.24304	1.5
448.26840	0.6
450.83707	0.5
491.26419	1.2
508.28882	2.0
526.30096	14.9
527.30212	1.0
544.31177	17.0
545.30975	0.8
688.35382	3.1
706.36682	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.1851
Annotation	Diinsinin
Peak:m/z	Relative Intensity
71.49560	0.6
72.90374	0.3
75.26331	0.2
85.75667	0.3
102.77552	0.3
112.89577	0.4
124.72866	0.3
154.40036	0.4
212.85193	1.6
226.90791	0.4
248.48415	0.3
268.98264	1.0
270.98068	0.3
279.52499	0.3
423.08121	0.8
525.11652	0.5
543.13202	13.2
705.18469	100.0
706.18811	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	701.3716
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05493	0.4
79.05480	0.2
81.07040	0.9
83.06265	0.2
85.02945	0.2
85.89282	0.2
91.05482	0.2
95.08619	0.3
98.20654	0.3
107.08597	0.2
118.89092	0.2
147.04338	0.2
149.02412	0.2
155.01924	0.2
185.04248	0.7
203.05266	1.8
219.12280	0.2
229.86504	0.2
258.82376	0.2
259.07907	1.6
321.22803	0.3
347.09583	1.2
365.10544	2.9
421.13135	1.3
539.31909	20.2
540.32172	0.7
701.37158	100.0
702.37433	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	702.3689
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.3
55.01862	9.4
55.05510	35.3
56.05048	2.2
56.96556	2.8
57.03431	16.6
65.03933	3.4
67.05501	28.8
69.03423	6.6
69.07046	4.7
70.02946	3.0
71.04989	10.7
71.62737	3.4
72.04513	89.4
73.00071	1.9
79.05481	34.8
80.05007	8.0
81.03414	92.0
81.07057	29.9
82.02922	2.0
82.06565	8.9
83.04961	6.7
83.08607	24.5
84.04495	3.1
85.02889	11.2
85.06542	3.1
86.09712	2.0
91.05474	28.5
93.07027	16.7
94.06571	2.5
95.04961	30.0
95.08598	10.1
96.04483	14.9
97.02883	6.7
97.06549	2.9
97.10173	12.6
98.06084	2.5
105.07029	21.4
105.54022	2.0
107.04952	15.7
107.08587	15.8
108.04472	16.1
109.02881	2.6
109.05230	3.2
109.06535	4.8
109.10134	5.1
110.06025	8.4
111.04424	3.0
111.08089	10.2
115.05488	3.0
117.07014	8.9
118.06517	2.8
119.04961	2.8
119.08568	16.4
121.02840	4.8
121.06506	7.4
121.10126	5.4
122.05988	6.7
124.11248	6.6
125.09567	6.0
126.05482	2.3
127.03931	2.9
129.06943	5.8
131.04854	2.2
131.08543	7.8
133.06523	5.8
133.10138	7.7
135.04393	5.7
135.08041	3.2
136.07582	2.4
137.06013	6.6
137.09581	2.5
141.06844	2.3
145.06487	2.6
145.10146	3.4
147.04369	5.2
147.08051	3.9
147.11673	6.9
149.09624	6.0
157.10114	9.5
159.61865	2.4
160.11217	2.7
163.03891	9.0
163.11250	2.9
167.07027	3.5
170.11815	4.7
175.11209	11.4
178.12216	14.3
179.74536	2.3
183.11693	4.8
193.12236	22.1
201.12776	2.9
206.11752	3.4
219.13786	6.5
224.12814	8.9
226.14371	7.6
247.13301	48.1
249.14937	2.2
265.14410	3.1
267.15900	100.0
280.15451	8.7
298.16479	93.9
298.19962	3.8
316.17441	3.2
321.16956	16.0
394.73669	2.1
472.26770	8.5
490.27966	84.1
491.28403	2.4
508.28976	32.6
551.68787	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	701.3485
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.6
55.01861	3.4
55.05511	11.9
56.05030	4.2
56.96553	1.6
57.03439	6.7
57.07069	1.0
58.06598	1.6
59.93714	0.7
61.02919	1.9
65.03937	1.9
67.05173	1.1
67.05506	19.0
68.05022	2.7
68.05828	0.7
69.03413	1.2
69.07069	3.6
70.02950	2.8
70.06586	2.3
70.91985	2.7
71.04992	5.1
72.04516	69.5
72.08128	1.5
79.05492	20.0
80.05014	12.2
81.03417	3.6
81.05793	1.1
81.07056	23.7
82.02949	1.4
82.06582	8.9
83.04958	2.5
83.08615	3.4
84.04488	1.9
84.08115	1.0
85.02902	7.3
85.06552	0.9
91.05478	28.0
93.05771	2.7
93.07033	8.8
94.06569	20.6
95.04962	4.4
95.07362	5.3
95.08614	7.3
96.04487	10.0
96.08127	2.2
97.02876	1.8
97.06526	0.8
97.10153	2.7
98.06075	2.1
105.07030	21.3
106.06545	2.6
107.04990	1.8
107.07369	3.9
107.08595	7.6
108.04491	11.8
108.08112	9.6
109.02845	0.8
109.05245	2.1
109.06526	2.1
109.10144	5.4
110.06050	7.1
115.05396	0.9
117.07018	3.4
118.06522	1.1
119.05064	0.8
119.08543	1.9
120.08102	2.1
121.08916	1.9
121.10189	0.9
122.06000	4.0
122.09671	9.8
123.11647	1.2
124.11233	3.2
125.09637	2.0
126.05526	1.0
127.03941	1.0
128.06216	0.8
129.05492	1.8
130.28513	0.7
131.08557	2.6
132.08046	1.2
133.10147	6.6
134.09647	1.9
135.08070	3.2
135.10419	1.6
135.11610	1.0
136.07582	1.6
137.05954	0.9
137.13249	1.7
141.97426	0.7
143.08543	1.3
145.10103	1.4
147.04378	1.3
147.06725	0.7
148.11134	1.0
150.12784	17.1
160.11230	3.2
161.09572	1.3
162.12703	0.9
163.03885	7.1
164.10666	0.8
170.09615	0.8
170.11813	1.6
178.12260	10.0
188.10704	3.5
189.09064	0.8
196.13322	9.3
206.11768	8.7
208.13431	0.9
224.12830	13.9
227.12807	1.6
242.13950	1.4
252.15929	8.5
252.40543	0.9
262.14334	2.2
269.10617	1.1
280.15497	10.7
287.11697	1.0
298.16492	100.0
299.16693	1.9
320.41016	0.8
349.16827	1.3
403.14572	1.2
475.28058	2.0
503.27469	3.1
521.28619	30.6
539.30170	1.1
546.18707	1.2
633.09668	0.9
701.49225	2.2
701.78833	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.3489
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94658	0.5
53.03939	1.5
54.03474	0.4
55.01871	8.5
55.05511	14.2
56.05037	2.2
57.03437	4.7
57.68806	0.3
58.06591	1.1
59.05009	0.5
61.02922	1.0
61.28720	0.4
65.03934	1.3
66.46256	0.4
67.04241	1.0
67.05506	11.9
68.01383	1.4
68.05022	1.8
69.03415	1.0
69.07066	2.9
70.02952	4.8
70.06596	0.7
71.04990	1.9
71.62724	0.5
72.04514	100.0
73.02916	0.8
73.04859	0.5
79.05491	17.8
80.05015	10.2
81.03419	1.5
81.05793	0.5
81.07056	14.0
82.02934	4.1
82.06580	9.6
83.04969	1.4
83.08620	4.3
84.04504	2.7
85.02904	2.0
85.06535	1.3
87.04467	0.4
91.05479	7.5
92.04979	0.5
93.05786	1.0
93.07041	7.1
94.06567	2.6
95.04981	2.6
95.07393	0.4
95.08604	4.6
96.00835	0.8
96.04493	12.5
96.08123	0.8
97.02879	1.0
97.06592	0.5
97.10159	4.0
98.06034	2.3
99.04490	0.4
101.17303	0.3
105.07030	4.0
106.06548	1.4
107.04948	1.7
107.07316	0.4
107.08591	7.1
108.04477	16.6
108.08098	1.0
109.02900	0.6
109.05284	2.4
109.06512	1.6
109.10148	2.8
110.02401	0.8
110.06037	8.0
111.08096	0.6
115.05443	1.3
116.37806	0.4
117.05800	0.4
117.07003	3.1
118.06510	1.3
119.04951	0.5
119.08596	2.1
120.04449	1.1
120.08091	1.4
121.06462	0.5
121.10118	0.9
122.06025	4.2
122.09650	1.2
123.06805	0.7
123.08063	0.9
124.03951	0.6
124.07553	0.4
124.11219	6.0
125.07114	1.3
125.09624	2.9
126.05525	1.8
128.06197	0.4
129.05466	0.7
130.06601	0.5
131.04910	0.5
131.08522	0.6
131.25194	0.3
132.08066	1.8
133.06416	0.4
133.08873	0.3
133.10112	0.6
134.06041	0.9
134.09677	1.3
135.08040	3.7
135.11664	0.5
136.07573	1.2
136.11154	0.6
137.05986	0.7
137.09657	0.8
143.08556	0.5
144.08076	0.7
145.08896	0.5
145.10100	0.7
146.09631	1.0
147.04408	0.5
150.09128	1.4
150.12738	1.4
152.10715	0.6
153.09082	0.8
160.11226	3.8
161.09595	0.8
162.09111	0.8
162.12744	0.7
163.03955	1.2
163.11220	0.6
164.10716	1.4
167.07007	1.1
170.09621	0.8
170.11792	3.0
176.10699	0.5
178.12268	15.4
180.13846	0.4
188.10719	6.2
189.09184	0.7
189.11211	1.6
192.31499	0.4
196.13266	1.0
199.13309	1.1
206.11761	10.3
208.13335	5.9
209.08063	0.4
222.04669	0.4
224.12804	22.4
225.13400	0.6
226.14386	1.1
227.12782	2.3
242.13824	2.6
245.13959	0.5
259.14365	0.4
260.12872	0.5
262.14340	0.5
267.14572	0.6
280.15436	11.5
298.16479	81.2
299.16809	1.5
316.17468	2.3
422.25177	0.9
450.24597	0.6
503.27444	1.2
521.28577	21.8
522.28540	0.9
528.56000	0.4
539.29553	4.4
701.36688	0.7
725.83044	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.3403
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66455	0.2
51.16129	0.2
53.03936	0.5
55.01861	0.4
55.05499	0.8
57.03442	1.6
58.01930	0.2
61.02925	3.4
67.05510	1.7
69.03431	2.3
69.07079	0.4
71.01338	0.4
71.04981	0.9
71.59451	0.2
72.66317	0.2
73.02543	0.3
73.02913	2.6
75.04465	0.2
76.71566	0.2
78.56519	0.3
79.05496	1.8
81.02977	0.3
81.03419	4.4
81.07063	2.8
83.04989	1.2
83.08621	1.1
85.02905	6.4
86.09702	0.7
87.04470	0.3
87.10033	0.2
91.03957	2.5
91.05472	2.7
93.07043	1.6
95.04965	1.7
95.08604	1.2
96.73837	0.2
97.02897	3.3
97.06538	0.4
99.04458	0.6
101.02387	1.6
103.03934	0.3
104.10751	1.5
105.07037	2.4
107.04975	0.7
107.08585	0.8
109.02900	0.5
109.06525	0.5
109.10144	0.4
111.04455	0.2
111.08082	0.7
113.06055	0.3
119.05002	0.2
119.08593	1.6
121.06504	0.3
121.10129	1.0
123.11665	0.2
125.00002	0.3
127.03937	1.4
129.05490	0.3
129.06982	1.2
131.08586	1.0
133.10149	1.2
134.17168	0.2
137.06001	1.0
142.07870	0.2
145.04994	0.3
147.04404	0.4
147.08055	0.3
147.11702	1.5
149.09642	0.5
157.10130	1.1
163.03929	0.7
165.12845	0.3
167.06993	0.3
175.11244	1.2
184.07298	1.4
184.51962	0.2
185.04195	0.3
187.07523	0.2
193.12257	2.6
196.37148	0.2
203.05411	0.2
205.08641	0.2
211.13306	1.2
243.08423	1.9
251.12515	1.9
269.12372	0.3
283.56580	0.2
285.16922	0.7
307.15274	0.8
469.20496	13.7
470.20905	0.3
517.31238	0.3
535.30133	0.4
697.33978	100.0
698.34650	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	696.5401
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.9
55.05264	0.4
55.05510	5.9
56.05045	3.6
56.98893	0.3
57.03442	0.6
57.07076	2.6
58.06581	0.8
60.04526	2.3
61.02925	0.3
65.03926	0.5
67.05502	10.2
68.05019	0.9
68.74648	0.3
69.03427	1.9
69.06722	0.6
69.07064	6.9
70.06583	2.1
71.04975	0.3
71.08616	0.9
71.60744	0.5
72.04522	0.3
76.97856	0.3
79.05488	9.0
80.05022	2.8
81.03405	1.2
81.05795	1.8
81.06575	0.5
81.07054	9.9
82.06113	0.4
82.06576	6.1
83.08617	4.4
84.08127	0.4
85.02898	3.9
85.10168	0.7
86.06049	0.3
91.05482	7.7
93.05794	0.7
93.06465	0.6
93.07040	9.6
93.07629	0.6
94.06565	17.4
95.04961	1.5
95.07352	7.7
95.08603	8.5
96.08132	6.3
97.02902	2.2
97.06527	0.4
97.10161	2.8
98.06068	0.3
99.04424	0.3
100.07616	0.5
105.07026	5.6
106.06512	0.4
107.07352	0.6
107.08589	4.8
108.08109	2.9
109.02861	0.7
109.10159	3.3
110.09653	0.6
111.11678	0.5
117.07053	0.3
119.07782	0.5
119.08570	5.0
121.08858	0.5
121.09248	0.4
121.10137	5.7
122.09676	2.3
123.11703	1.3
124.11235	0.3
127.03931	0.7
133.10121	3.1
134.09665	0.4
135.10466	0.5
135.11670	2.5
136.11186	0.9
137.13243	0.6
145.04982	0.4
147.11659	1.1
149.13277	1.2
151.14809	0.4
156.17493	0.3
159.06445	0.3
161.13254	1.0
163.14864	0.4
175.14819	0.4
203.17912	0.3
203.88875	0.3
219.21068	0.6
233.22624	2.8
234.22115	0.5
239.32663	0.3
245.22646	4.6
247.24178	0.6
250.25317	6.0
254.24780	1.4
260.23752	0.6
262.25293	100.0
263.23325	0.5
263.25861	1.3
264.26880	0.8
272.25858	5.3
280.26331	4.9
296.25650	0.5
312.25247	1.0
313.28244	0.3
314.26788	0.3
338.30563	0.3
442.31781	0.7
504.47791	4.8
516.47736	32.8
517.48291	0.8
518.49310	8.4
534.48761	8.4
637.20551	0.3
696.54059	6.4
697.54456	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.4163
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95582	0.4
53.03942	1.3
54.84639	0.5
55.01870	0.7
55.05512	15.7
57.03436	6.8
57.06821	0.7
57.07077	8.8
57.33528	0.4
61.02926	21.0
62.49468	0.4
65.03938	1.7
67.05503	61.2
69.03424	3.1
69.07067	23.5
70.07645	2.4
71.04996	2.2
71.08627	5.1
73.02914	8.1
74.09696	0.4
75.04487	0.7
79.05492	16.6
81.03409	1.7
81.07055	75.2
82.07380	0.8
83.04980	1.7
83.08616	16.7
85.02901	26.5
85.06538	2.2
85.10179	2.8
87.04489	1.0
89.86927	0.5
91.00150	0.5
91.03954	22.3
91.05476	12.7
93.07040	18.9
95.04992	1.0
95.08604	67.6
96.08945	0.8
96.65661	0.4
97.02894	11.8
97.06521	5.9
97.10169	14.0
99.04454	1.7
99.08083	3.5
101.02380	0.5
101.06042	0.5
103.03931	0.5
105.07021	9.3
107.08591	15.0
109.02879	1.1
109.06540	0.9
109.10154	33.0
111.08093	3.9
111.11719	4.6
113.09638	2.2
115.03918	1.4
115.07559	0.5
119.08578	12.1
121.10141	20.4
123.08058	1.4
123.11708	17.8
124.38734	0.5
125.09646	1.7
125.13286	1.5
127.03913	8.5
127.11180	1.7
129.05515	0.9
131.08548	0.7
133.10127	14.8
135.11697	12.3
137.09639	1.4
137.13243	8.2
139.11209	1.0
139.14796	0.8
141.12727	2.9
145.04948	12.3
147.04370	1.1
147.11690	10.6
147.12787	0.8
149.13243	8.8
151.11191	1.7
151.14818	5.8
153.12784	1.3
155.14337	3.5
161.13261	12.1
163.06015	18.7
163.07388	0.9
163.14822	10.1
165.12733	1.3
165.16394	7.5
167.14343	0.7
175.14807	9.8
177.16406	2.3
179.14305	1.8
179.17957	7.1
181.15936	1.1
189.16351	3.7
193.15863	1.9
195.17439	0.6
203.17972	1.6
207.17384	0.8
211.16896	0.6
217.19516	1.8
221.18962	0.6
221.22708	0.6
226.40497	0.4
229.14223	0.5
245.22649	58.7
246.22894	0.9
263.23700	100.0
264.24051	1.6
265.25217	2.0
281.24814	3.4
337.27359	67.9
338.27612	1.3
342.48215	0.5
355.28424	18.4
356.28943	0.6
383.57004	0.4
481.31000	0.6
499.32596	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	695.3246
Annotation	Adociasulfate 2
Peak:m/z	Relative Intensity
55.01863	0.9
55.05499	1.3
57.03432	2.5
59.04988	0.6
61.02924	4.6
67.05500	1.6
69.03427	3.2
71.05000	1.4
71.60692	0.7
73.02910	3.4
79.05497	2.6
81.03419	3.7
81.07047	3.0
83.04974	1.6
83.08617	1.5
85.02907	6.6
87.97985	0.4
91.03940	3.1
91.05466	3.2
93.07046	2.9
95.04969	1.7
95.08591	1.3
97.02888	3.7
97.06542	0.7
99.04460	0.7
101.02388	1.8
105.07025	1.9
107.04940	1.2
107.08594	1.8
109.02895	1.2
109.06493	0.5
109.10139	0.6
111.08080	0.9
115.03923	0.5
117.06995	0.5
119.08572	1.7
121.10171	1.3
121.46562	0.5
127.03928	1.7
129.07022	0.8
131.04915	0.5
131.08543	0.8
133.10132	1.5
135.11678	1.3
137.05916	0.9
139.66351	0.4
143.88255	0.4
145.10147	0.9
147.04413	1.2
147.11687	1.1
157.10136	1.2
163.03918	1.0
163.11214	2.4
175.11134	0.7
185.04312	0.5
193.12283	1.0
240.40353	0.5
243.08432	2.4
249.10983	0.6
251.12686	0.9
283.15402	0.5
459.22134	0.5
467.18863	6.2
469.20389	6.2
472.75925	0.5
495.99588	0.5
518.16010	0.5
530.18280	0.5
544.01068	0.4
622.38861	0.6
670.87726	0.5
695.32269	100.0
696.32611	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	694.4004
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.5
53.58614	0.8
55.01876	1.4
55.05309	0.9
55.05514	9.9
57.03232	0.6
57.03440	6.3
57.07070	3.3
61.02930	28.4
61.13184	0.9
65.03921	2.0
67.05506	62.3
68.05831	1.0
69.03434	4.4
69.06721	1.1
69.07065	13.2
71.04977	3.5
73.02914	9.2
75.04499	1.1
77.03876	1.1
79.05496	35.1
81.03416	1.5
81.07060	77.1
83.04951	1.7
83.08616	7.7
85.02908	34.5
85.03429	1.8
85.06541	3.5
91.03959	29.2
91.04961	1.3
91.05482	19.3
93.07047	46.1
95.04953	3.0
95.08609	61.5
96.08930	1.3
97.02888	17.0
97.06533	3.1
97.10165	3.6
98.21520	3.1
99.04434	2.2
99.08095	2.6
103.03964	0.8
105.06388	1.4
105.07034	17.2
107.08598	35.0
109.06538	1.7
109.10158	33.8
111.08047	1.6
113.09625	1.1
115.03912	2.7
117.07026	8.9
119.08576	15.6
121.10147	30.9
123.08025	1.4
123.11713	17.4
125.79857	0.8
125.96783	0.8
127.03919	11.5
131.08577	16.2
133.10135	13.5
135.08142	1.2
135.11694	26.7
136.11983	1.4
136.89336	0.8
137.09613	1.3
137.13226	7.5
139.11183	1.7
145.04965	15.4
145.10124	12.8
147.04410	2.7
147.11702	11.6
149.13268	19.6
151.11156	1.3
151.14763	2.5
153.12761	2.0
159.11690	12.8
161.13255	11.4
163.06027	21.8
163.14819	14.3
165.12773	2.0
165.16347	1.1
173.11931	1.4
173.13281	13.9
175.14833	3.1
177.12801	1.7
177.16418	6.3
179.14302	3.2
187.14815	8.6
191.14293	1.7
201.16389	3.2
205.15858	2.2
215.18015	1.2
230.92035	0.8
233.22594	3.2
243.21080	34.4
244.21274	1.3
261.22153	100.0
262.22461	3.0
279.23117	4.1
335.25790	31.6
336.26178	1.5
353.26868	67.1
354.27060	3.1
479.29825	1.1
497.31299	6.9
517.00262	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.4025
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.7
55.05499	1.3
57.03428	1.7
57.07061	0.4
61.02635	0.6
61.02922	5.9
67.05503	8.7
69.03426	4.1
69.07049	1.5
71.04985	0.8
71.62057	0.6
73.02911	4.4
77.67956	0.4
79.05495	2.9
81.03405	2.6
81.07056	6.2
83.05000	0.6
83.08605	0.8
85.02905	6.7
87.04447	0.6
91.03949	4.8
91.05468	1.7
93.07053	3.5
95.04942	0.5
95.08598	4.1
96.21790	0.5
97.02893	5.9
97.10152	0.5
99.04459	0.9
101.02387	2.1
103.03970	0.5
105.07040	1.7
107.08582	1.8
109.02913	1.1
109.10149	5.9
117.07062	0.5
119.08604	1.6
121.10149	1.6
127.03914	2.0
131.08540	0.9
133.10104	1.0
135.11736	1.2
137.94257	0.4
145.10149	0.8
145.71252	0.5
147.04433	0.5
173.11760	1.4
185.04234	0.5
195.09952	1.0
203.05295	0.6
211.13353	0.6
229.14363	0.9
243.08420	2.3
257.42899	0.5
273.88800	0.5
335.25742	1.1
372.74808	0.4
413.17801	5.1
519.29309	7.3
519.36639	0.5
691.40234	100.0
692.40631	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	692.3849
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.3
55.05507	15.2
57.03434	15.5
59.04980	1.3
61.02921	3.9
65.03927	1.3
67.05500	25.4
69.03425	6.4
69.07064	8.2
70.18778	2.5
71.01345	0.5
71.04991	5.8
73.02913	1.5
73.06544	0.5
77.03901	0.5
79.05488	28.0
81.03413	79.3
81.07053	31.4
83.04977	20.8
83.08613	29.9
85.02900	35.3
85.03426	1.2
85.06543	2.1
87.04482	0.6
91.03943	2.3
91.05477	37.0
93.07047	19.6
95.04963	32.5
95.08603	11.3
97.02895	5.6
97.06523	5.0
97.10178	5.7
99.04433	0.7
99.08109	1.3
105.07027	27.7
107.04960	8.2
107.08582	8.9
109.06517	6.7
109.10145	3.7
111.04441	3.2
111.08068	13.3
113.06001	2.5
115.05451	1.5
117.07040	2.8
119.04907	1.1
119.08576	22.7
121.06487	1.9
121.10135	12.0
123.08060	3.8
123.11687	2.4
125.05974	0.7
125.09640	1.9
127.03911	1.1
127.07540	0.6
128.06094	0.7
129.06992	14.6
131.08565	16.1
133.06490	3.9
133.10117	15.8
135.07997	0.5
135.11659	0.7
137.05949	1.1
137.09625	2.1
137.13234	0.8
142.07767	3.3
145.06523	1.0
145.10130	1.9
147.04303	0.8
147.08058	4.5
147.11674	20.7
149.09599	9.3
151.07603	0.8
157.10123	20.1
163.03938	0.9
163.11163	1.4
165.12740	4.6
175.11176	20.7
189.11243	0.7
193.12238	61.9
211.13280	100.0
212.13565	0.9
221.76721	0.5
229.14244	0.6
249.14882	1.3
267.15903	43.4
273.14902	1.2
285.16949	99.0
339.22995	0.6
349.21591	1.2
367.22601	3.4
385.23718	5.0
403.24750	1.6
407.24396	0.6
433.25967	1.8
459.27362	27.6
460.27820	0.8
477.28485	34.5
495.29517	86.9
496.29712	1.2
639.33380	0.6
669.66638	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.4023
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.7
53.61194	0.5
55.05509	1.7
55.21284	0.4
57.03429	1.2
57.13049	0.5
61.02927	3.8
67.05502	8.4
68.75625	0.5
69.03431	3.6
69.03748	0.6
69.07059	1.6
71.04963	0.5
71.32664	0.4
73.02908	3.3
75.59086	0.4
79.05489	3.0
80.95275	0.5
81.03423	3.5
81.07053	5.0
83.04989	0.8
83.08629	1.1
85.02912	3.8
87.04488	0.6
91.03958	2.5
91.05493	2.6
93.07036	3.4
95.04971	0.6
95.08617	3.8
95.70261	0.5
97.02889	3.7
97.10146	0.7
98.21566	0.9
99.04480	0.8
101.02389	1.8
103.24122	0.5
105.07044	1.4
107.08602	1.8
109.02879	0.9
109.10147	7.2
111.08097	0.5
115.03931	0.5
119.08625	1.1
121.10174	1.4
127.03915	2.2
131.08575	1.2
135.11690	0.8
137.13153	0.6
145.04997	0.7
147.11621	0.7
150.85135	0.5
152.48451	0.5
163.05257	0.4
173.11789	2.2
185.04106	0.5
193.12292	0.9
211.13374	0.7
229.14319	0.9
243.08473	1.4
269.17355	0.5
413.17813	10.4
495.45898	0.6
519.29260	4.2
673.42664	0.6
691.40222	100.0
692.40601	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	691.2593
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.4
53.28216	0.6
55.01868	2.1
55.05508	1.1
56.96584	0.8
57.03434	1.0
59.04993	0.7
65.03948	0.8
67.05503	1.7
69.03426	3.5
69.07072	7.2
71.04990	4.3
71.59711	0.8
79.05487	8.0
81.03415	5.9
81.07057	3.2
83.04975	1.1
85.02909	7.2
85.06557	1.1
89.03912	2.0
91.05466	2.9
93.07058	4.9
95.04971	1.8
95.08591	1.9
97.02907	2.7
97.06528	100.0
98.06870	1.0
103.05476	1.5
104.28119	0.6
105.07030	68.2
107.04951	1.6
107.08604	4.5
109.02892	1.8
109.06513	8.5
109.10178	1.0
110.52924	0.5
111.04436	1.0
111.08084	1.3
117.03384	2.6
117.07007	1.3
119.08564	4.8
121.06486	5.7
121.10151	1.5
123.11664	0.7
127.03915	2.5
129.05499	0.9
129.06998	1.0
131.04965	0.8
131.08566	1.9
133.06488	12.4
133.10149	2.1
135.04419	5.8
135.11711	9.4
137.06001	2.6
144.09393	1.1
145.02843	3.6
145.10117	3.2
147.04466	1.7
147.08044	1.0
147.11676	0.7
149.13277	0.7
151.07553	2.7
153.05489	0.7
159.08032	0.8
159.11697	16.3
159.13002	0.8
161.05890	0.6
161.09595	1.0
161.13246	2.2
163.03908	37.4
163.11215	4.2
164.04315	1.1
167.07065	1.8
170.30228	0.6
171.08087	0.6
172.08847	1.3
177.12747	26.7
181.05029	1.4
187.06017	0.8
187.07596	0.9
187.11212	5.9
193.08490	0.7
203.10632	0.8
205.12244	13.0
225.09045	0.9
239.10933	0.8
241.08542	1.2
253.08688	1.1
267.07083	0.6
277.10782	1.3
325.09161	0.9
325.14389	1.9
331.15408	0.8
349.16394	2.6
367.17789	6.6
385.16171	0.7
452.51587	0.6
529.20721	2.7
631.66144	0.6
673.24939	0.9
691.25293	2.0
691.38995	3.7
705.02045	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.3693
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.5
55.01654	0.5
55.01870	4.7
55.05263	0.7
55.05509	12.1
56.99110	0.6
57.03431	9.3
57.07062	0.7
59.04986	2.1
61.02913	5.0
66.79484	0.6
67.05499	15.2
68.60796	0.7
69.03429	3.1
69.07059	4.8
69.78148	3.4
69.91309	0.5
71.01328	0.8
71.04992	3.7
72.09067	0.5
73.02888	1.3
79.05489	19.6
81.03413	38.5
81.07051	19.8
83.01331	4.8
83.04976	13.3
83.08140	1.1
83.08614	17.5
85.02901	14.7
85.06548	1.1
91.03934	1.5
91.05473	20.6
93.06464	1.1
93.07039	18.5
93.07630	1.1
95.04960	17.3
95.08606	8.0
97.02895	5.1
97.06523	3.8
97.10168	2.6
99.04440	1.7
99.08057	0.6
102.66386	0.6
103.05467	0.7
105.07029	15.9
107.04945	7.5
107.08596	9.6
109.02814	0.6
109.06513	5.0
109.10138	2.5
111.04427	2.2
111.08065	8.1
113.05993	1.8
115.05451	0.9
115.92440	0.5
117.07003	4.5
119.04903	0.7
119.08583	12.9
121.06507	3.3
121.10133	7.9
121.26984	0.5
123.04453	0.8
123.08065	6.8
125.05972	0.9
125.09630	1.6
127.03904	1.2
127.07508	0.6
129.06992	6.4
130.07726	0.7
131.04912	0.8
131.08556	7.4
133.06474	1.8
133.10118	6.3
135.08073	1.7
135.11688	6.5
137.06094	0.6
137.09612	1.5
139.07585	0.6
142.07759	1.2
145.06451	0.6
145.10098	8.7
147.04390	1.2
147.08008	2.5
147.11682	8.2
149.09634	4.2
153.12743	1.7
155.08534	1.2
157.10123	8.3
163.03853	1.3
163.11180	15.8
164.11523	0.8
165.12762	2.1
173.09619	2.2
175.11189	9.6
178.35886	0.5
181.12201	1.6
191.10638	2.2
193.12231	25.6
205.56949	0.6
209.11702	3.4
211.13286	38.9
227.12781	2.2
267.15897	8.4
283.15366	49.3
284.15726	0.8
285.16953	31.0
293.86490	0.7
383.22098	2.3
401.23297	0.8
457.25931	4.3
475.26883	15.1
475.33353	0.6
493.27942	100.0
494.28369	2.3
512.94977	0.7
663.08929	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.4256
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	12.5
55.01869	6.0
55.05511	22.7
56.61795	1.5
57.03436	10.9
57.07079	3.3
58.46063	1.3
60.07962	1.4
65.03943	5.7
67.05504	77.3
69.03426	23.2
69.07066	20.6
69.65649	9.6
71.01356	3.2
71.05000	12.8
71.05343	2.0
73.02894	3.6
74.09738	1.7
77.03910	1.5
79.05492	64.8
81.03416	100.0
81.07056	84.2
83.04982	14.7
83.08619	13.9
85.02895	11.6
85.06552	3.7
87.04474	4.9
89.06039	6.8
91.05481	57.9
92.05888	1.6
93.07045	64.1
95.04965	35.9
95.08609	49.1
97.02886	28.5
97.06546	8.7
97.10183	8.0
99.04465	8.0
99.08070	2.3
103.03948	3.8
103.05472	3.3
105.04558	1.6
105.07030	48.7
107.04949	13.3
107.08589	35.4
109.02879	19.3
109.06535	8.3
109.10149	15.5
111.04465	4.1
111.08128	2.4
111.11731	2.3
115.05495	2.5
117.07004	16.3
119.08581	33.2
121.06522	7.1
121.10141	28.1
123.04442	13.3
123.08103	4.4
123.11728	10.4
125.09624	4.1
127.03924	12.6
128.06223	2.8
129.05481	2.8
129.07001	13.4
131.04941	3.8
131.08565	24.1
133.06555	4.6
133.08598	2.3
133.10121	21.0
135.04500	2.8
135.08073	4.9
135.11707	13.2
137.06067	2.4
137.13266	2.5
141.06987	3.3
142.07767	2.0
143.08519	11.7
145.06494	5.3
145.10106	19.1
147.04427	4.5
147.08049	5.1
147.11687	25.3
149.05972	1.6
149.09645	4.0
149.13268	6.4
151.11110	1.6
155.08586	6.0
157.06526	2.4
157.10133	11.1
159.08121	3.6
159.11731	10.7
161.05991	4.0
161.09613	2.8
161.13318	4.2
163.11223	7.2
163.14801	1.7
165.07059	2.0
165.12782	7.5
167.08525	2.1
169.10147	8.2
170.11104	1.5
171.11702	8.7
173.04489	19.1
173.06010	2.4
173.09708	3.2
173.13260	5.0
175.07675	1.8
175.11205	5.8
177.12730	2.3
181.10173	3.2
183.11758	5.1
185.09555	2.0
185.13327	5.0
187.14879	4.1
189.05525	2.2
189.12833	3.1
193.10283	1.8
193.12282	5.7
195.11789	4.7
197.13289	4.5
199.05939	2.3
199.14897	2.9
203.10751	1.6
207.13811	3.3
209.13303	2.7
211.13243	3.1
213.12790	2.2
213.16397	2.9
217.12167	3.4
225.16524	2.7
229.14267	2.1
235.13246	14.3
243.21078	2.7
247.13319	1.7
255.13808	4.1
259.13449	6.0
259.20786	2.3
261.22208	7.3
267.15939	18.7
273.14825	8.2
277.14020	3.1
283.13248	2.1
285.16943	4.0
289.14240	2.3
301.14346	10.2
301.21631	1.6
309.17111	3.6
317.24988	3.2
319.15463	4.7
327.23291	2.4
335.25790	43.9
336.26172	2.5
337.16550	4.0
347.18805	2.1
369.24527	2.4
375.18073	6.0
393.19208	4.4
411.19998	11.0
435.32596	4.0
453.33963	2.0
464.19839	1.6
509.37009	2.0
517.38843	2.1
527.37341	30.7
543.34900	1.6
545.38513	12.5
569.38654	4.6
579.38019	2.1
611.39001	2.0
617.37866	1.8
623.39758	1.9
635.39490	5.2
653.40570	5.5
671.41553	12.9
689.42603	58.6
690.42682	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	689.4256
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	12.2
55.01843	5.9
55.05514	19.1
57.03418	11.4
66.74024	2.7
67.05501	52.3
69.03429	18.1
69.07069	14.4
71.04970	11.3
71.12706	5.8
74.03427	2.8
75.04451	2.8
76.89084	3.0
79.05494	47.4
81.03415	100.0
81.07053	73.6
83.04972	9.4
83.08606	9.9
85.02903	9.0
91.05470	38.7
93.07036	37.2
95.04967	10.6
95.08600	34.9
97.02887	29.9
97.06539	6.0
97.10143	3.3
99.04449	13.5
105.07025	36.7
107.04945	6.4
107.08614	23.5
109.02870	19.5
109.06490	4.7
109.10137	12.1
117.07018	11.5
119.08587	27.1
121.10143	18.3
123.08060	3.5
123.11682	7.8
127.03901	16.3
129.05420	4.0
129.06998	8.5
131.08536	18.3
133.06473	6.0
133.10149	15.6
135.11690	9.0
137.13223	3.2
143.08551	5.7
145.10115	13.6
147.07990	3.3
147.11702	23.7
149.13222	5.6
155.08522	5.7
155.39845	3.5
157.10143	15.7
159.11705	11.7
163.14923	3.1
165.12703	7.4
167.08629	3.6
169.10152	5.7
171.11691	5.7
173.04478	23.7
173.13231	3.7
175.14745	3.3
183.11665	3.9
185.13268	5.3
187.14915	3.7
193.12146	3.2
199.06058	3.2
209.13173	5.3
261.22144	6.0
267.15860	12.8
285.16708	5.7
335.25845	30.2
337.16498	6.4
369.23788	4.1
373.10934	3.1
385.50626	3.6
385.55621	3.4
411.20340	7.8
435.32581	4.5
453.33929	5.9
517.38788	4.1
527.37256	34.8
528.37622	3.4
545.38617	15.6
671.40674	6.6
685.28229	4.0
689.42456	54.7
690.42816	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	687.3138
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.2
55.05494	0.3
57.03434	0.2
57.07073	0.1
60.37300	0.1
67.05482	0.4
69.03421	0.2
70.02959	0.1
71.04976	0.1
71.22033	0.3
72.04507	1.2
73.04847	0.1
75.76715	0.1
79.05481	0.3
80.05016	0.1
81.03403	0.2
81.06681	0.1
81.07058	0.8
82.06578	0.1
83.08594	0.1
85.02912	0.2
91.05473	0.3
93.07023	0.4
95.04958	0.1
95.08620	0.2
96.04487	0.1
97.21800	0.1
105.07006	0.2
107.04969	0.2
107.08579	0.3
108.04469	0.2
121.06489	0.1
121.10152	0.1
123.08047	0.1
123.11687	0.3
135.11667	0.1
145.10112	0.2
147.04430	0.3
150.74950	0.1
163.03848	0.2
163.11215	0.2
164.11494	0.1
178.12233	0.1
187.03645	0.7
191.10440	0.3
224.12842	0.3
283.15466	0.7
284.15695	0.7
298.16467	0.8
299.16891	0.7
337.13831	0.1
355.15125	100.0
356.15433	3.0
373.16251	0.4
377.52527	0.1
396.17822	1.6
506.27295	0.2
507.27942	0.8
525.28180	0.1
677.84149	0.1
687.31061	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.3535
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	2.8
55.01867	6.1
55.05508	21.5
56.05028	1.3
56.64974	0.5
57.03432	13.0
59.05004	0.6
61.02909	1.1
65.03938	2.5
67.05498	27.1
68.01379	1.5
68.05018	1.8
69.03426	4.1
69.07060	6.3
70.02954	3.4
70.06604	1.0
71.01352	0.6
71.04990	4.7
71.59035	0.7
72.04512	100.0
73.02963	0.7
77.03914	0.8
79.05489	32.5
80.05013	10.4
81.03412	46.4
81.07052	31.0
82.02938	3.0
82.06568	7.6
83.04977	14.0
83.08615	17.8
84.04500	2.4
85.02899	15.9
85.06525	2.8
91.05474	34.4
92.46300	0.5
93.05796	1.2
93.07037	18.9
94.06563	3.4
95.04964	19.6
95.05553	1.1
95.08601	11.0
96.04490	14.0
97.02888	3.3
97.06556	3.3
97.10159	6.7
98.06062	1.6
99.04498	0.6
99.08093	0.8
103.05482	1.3
105.07033	19.0
106.06568	1.5
107.04961	7.5
107.07439	0.6
107.08589	11.3
108.04475	16.2
108.08102	0.8
109.02908	0.9
109.05276	2.4
109.06511	5.4
109.10149	4.3
110.06036	7.6
111.04449	1.7
111.08070	7.8
111.91970	0.6
113.06005	1.8
115.05458	1.6
117.06983	5.0
118.06527	1.8
119.04954	0.7
119.08569	15.1
119.09348	1.1
120.08113	1.4
121.06475	1.2
121.10130	7.5
122.05994	3.6
122.09679	0.9
123.08070	1.9
123.11678	1.3
124.11226	6.3
125.05983	0.6
125.08832	0.6
125.09613	3.5
126.05502	1.0
128.06259	0.9
129.05472	0.7
129.07002	9.6
131.04962	0.6
131.08562	8.8
132.08133	1.6
133.06543	2.9
133.10123	9.0
133.11731	0.6
134.05998	1.6
134.09634	1.3
135.04391	0.8
135.08049	4.4
135.11717	0.6
136.07593	2.1
137.06006	1.6
137.09612	1.7
142.07796	2.4
143.08566	0.7
144.08124	0.8
145.06514	0.6
145.08974	0.7
145.10052	2.8
147.04463	0.9
147.08061	2.4
147.11676	10.8
149.09593	4.4
150.09094	0.8
150.12753	0.9
152.10623	0.5
157.10110	11.6
160.07645	0.7
160.11235	2.6
163.03914	1.0
163.11188	1.0
165.12758	2.1
167.07121	1.0
170.09598	0.6
170.11757	3.0
173.04518	0.6
175.11171	11.7
178.12270	12.1
188.10692	2.6
189.11226	1.8
192.13722	1.0
193.12228	33.6
194.12691	0.8
206.11775	5.4
208.13319	1.4
211.13275	60.2
219.13736	1.2
224.12804	21.8
226.14412	1.4
227.12729	3.2
228.13803	1.9
242.13924	2.1
246.14920	7.1
247.13258	7.3
264.15970	1.4
267.15918	20.6
280.15417	13.5
285.16949	48.5
286.17209	0.9
298.16473	88.8
299.16620	1.0
316.17719	0.6
320.18576	1.6
321.16879	2.8
437.25439	2.0
472.26797	2.2
490.27985	22.9
508.29059	44.4
648.22137	0.7
676.81042	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.4468
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.9
55.01870	0.7
55.05260	1.0
55.05508	10.8
56.52349	0.5
56.76027	0.5
57.03432	12.1
57.07065	2.4
59.04998	3.8
61.02924	5.0
65.03931	1.6
67.05500	100.0
68.05826	0.9
69.03417	1.6
69.06725	0.7
69.07066	9.3
69.47484	3.9
69.47901	1.0
71.04988	3.7
71.08627	0.6
73.02895	1.2
79.05487	19.6
81.03418	1.1
81.07051	39.1
82.07402	0.6
83.04978	1.0
83.08607	8.7
85.02900	4.8
85.06534	2.0
91.03951	1.8
91.05476	13.2
93.07035	27.8
95.04966	1.9
95.08600	30.7
97.02890	3.3
97.06506	1.6
97.10161	1.7
98.08349	0.5
99.08086	1.2
105.06369	0.9
105.07016	7.7
107.08585	15.6
109.06509	1.1
109.10147	78.8
110.10489	1.2
111.08076	3.3
115.07580	0.5
117.06301	0.5
117.07003	3.0
119.08577	10.8
121.10126	11.3
123.11695	4.8
125.09622	1.4
126.80400	0.5
127.03878	0.5
131.08559	6.3
133.10123	3.6
135.08017	0.7
135.11673	7.9
137.09602	3.6
137.13245	1.0
145.10126	3.7
147.11696	3.9
149.13251	4.7
155.10637	2.9
159.11693	3.9
161.13196	3.1
163.14781	2.8
165.03474	0.5
173.11760	20.3
173.13248	3.7
175.14777	1.2
177.16394	0.8
179.42004	0.5
183.11937	0.5
187.14821	2.0
189.11156	0.9
191.36783	0.5
197.14856	0.5
203.90811	0.5
227.12766	4.6
229.14336	95.5
230.14688	2.1
233.22537	0.8
243.21049	5.2
261.22122	20.1
279.22891	0.5
299.23697	0.8
317.24844	3.5
335.25778	81.7
336.26181	2.8
379.29913	1.3
397.30768	1.2
415.31976	1.0
471.34503	1.7
489.35721	69.5
490.35944	3.0
507.36838	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	686.4469
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.5
55.01867	1.1
55.05507	11.7
57.03145	0.7
57.03430	12.8
57.07072	1.3
58.79337	0.4
59.04993	4.8
61.02922	5.1
65.03941	2.9
67.05501	100.0
68.05824	0.7
69.03433	1.4
69.07066	7.3
69.47430	3.9
71.04990	4.0
71.70515	0.4
73.02906	1.5
75.00568	0.4
79.05488	19.6
81.03412	0.8
81.07053	38.6
83.08614	8.7
85.02911	4.2
85.06528	3.3
91.03969	2.2
91.05474	13.1
93.07038	25.4
95.04980	2.4
95.08602	28.0
97.02353	0.4
97.02860	2.4
97.06541	1.9
97.10175	1.6
98.21543	1.0
99.08087	0.8
103.03951	0.7
105.04504	0.5
105.07027	6.9
107.08591	13.7
109.10150	81.0
110.10486	1.1
111.08067	4.2
113.09622	0.5
117.07013	3.2
119.08571	10.5
121.10139	10.5
123.08050	0.7
123.11710	3.9
125.09668	1.5
127.03951	0.7
131.08565	4.6
133.10117	4.6
135.11673	8.4
136.48883	0.4
137.09599	3.4
137.13252	1.3
139.11157	0.5
145.10129	4.3
147.11646	3.1
149.13261	4.0
155.10648	4.0
159.11671	3.9
161.13219	3.0
163.14809	2.5
171.11697	0.5
173.11755	23.0
173.13249	3.3
173.79678	0.5
175.14737	0.9
177.16365	0.8
185.13202	0.4
187.13367	0.6
187.14783	2.3
188.20833	0.4
201.16451	0.7
227.12784	5.0
229.14342	96.2
230.14703	2.0
233.22499	0.6
243.21039	5.0
261.22141	15.1
261.24841	0.9
317.24722	2.3
335.25775	64.0
336.26108	2.0
379.29974	1.1
397.31100	1.3
415.31781	1.2
471.34537	1.1
489.35715	39.3
490.35867	1.3
492.37906	0.5
507.36728	4.1
554.45935	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.3132
Annotation	Unknow
Peak:m/z	Relative Intensity
61.80916	0.1
69.50871	0.9
80.06725	0.1
80.16373	0.1
81.07061	0.7
83.08607	0.1
85.02895	0.2
93.07013	0.1
94.67187	0.1
95.08626	0.1
98.20686	0.2
105.07047	0.1
107.08592	0.1
109.10118	0.1
119.04890	0.1
123.11700	0.9
124.11946	0.1
147.04401	0.4
163.03905	0.2
191.10410	0.1
261.02957	0.1
302.85837	0.1
337.13962	0.3
355.15134	100.0
356.11172	0.2
356.15442	3.1
373.16107	0.4
396.17804	3.3
397.18082	0.2
520.21997	0.1
520.72040	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	684.3214
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	8.7
55.01626	1.9
55.01870	29.4
55.05506	27.2
57.03436	18.5
57.07073	25.4
59.05001	1.6
61.02919	1.8
65.03934	1.6
67.05170	2.4
67.05502	31.6
69.03077	2.1
69.03426	28.4
69.07063	13.0
71.01336	2.0
71.04986	7.4
73.02901	6.5
73.08330	1.6
73.49634	1.7
79.05056	2.6
79.05489	32.5
81.03413	100.0
81.07056	39.8
82.03745	1.9
82.04210	2.9
83.01366	2.0
83.04977	29.6
83.08617	17.8
83.71612	1.6
85.02894	19.9
85.06541	5.4
91.05453	24.8
91.05902	1.4
93.07038	25.4
94.04160	1.6
95.04969	25.9
95.08598	15.1
97.02880	19.0
97.06532	13.0
97.10139	7.7
98.03682	2.3
99.04445	5.9
99.08093	2.6
105.07022	19.2
107.04958	9.4
107.08586	17.6
109.02863	17.5
109.06509	5.7
109.10150	12.5
111.04422	12.9
111.08073	12.7
113.06004	1.6
115.94680	1.5
116.04698	4.8
117.05534	2.4
117.06987	5.6
119.04943	2.4
119.08575	16.5
121.02866	2.9
121.06482	6.7
121.10159	12.7
123.04408	1.8
123.08074	3.4
123.11699	5.7
125.09638	7.3
127.03882	9.9
127.11182	12.0
129.05493	8.1
129.07002	8.0
131.08562	10.6
133.06506	4.8
133.10130	9.9
135.08009	4.7
135.11699	8.5
137.09628	2.3
137.13274	4.7
139.07539	2.0
142.07799	2.1
143.07059	2.5
143.08598	2.7
143.89258	1.4
145.04967	2.7
145.06445	3.0
145.10104	6.2
147.04384	4.8
147.08044	2.8
147.11670	20.0
149.05992	2.1
149.09627	7.3
153.12778	3.7
155.08533	2.8
157.08629	4.8
157.10139	10.8
158.05750	9.9
159.06541	2.8
159.11670	1.6
163.03902	2.3
163.11198	8.3
164.12051	1.8
165.12741	6.5
167.10634	2.2
171.06517	15.4
173.04456	4.3
175.11169	12.6
181.12276	4.7
183.06516	10.3
185.08080	7.3
186.05219	2.5
191.10654	5.6
192.11444	1.9
193.12218	31.0
199.05971	8.1
199.09657	8.7
200.13971	3.0
201.14816	9.5
203.17981	4.2
209.11787	2.0
211.06039	3.3
211.11307	3.2
211.13286	42.8
213.11234	3.2
225.07613	5.1
226.12158	1.8
227.12711	15.5
229.14264	2.0
229.18707	2.1
231.13719	2.6
241.14407	2.3
242.15137	3.6
255.12233	2.8
255.13426	2.0
255.15924	15.7
267.15912	16.6
269.17480	4.2
273.14996	3.4
283.15363	4.4
283.18951	2.9
285.17105	8.1
297.20508	2.3
298.17670	5.2
310.21628	2.4
311.18573	4.8
311.22168	7.7
319.15503	2.7
325.20145	5.0
325.23785	2.3
326.24442	1.9
327.17996	7.9
330.15396	3.9
339.18024	2.9
339.21658	10.0
351.17905	2.2
355.17551	3.6
367.21231	2.5
381.26654	1.7
382.27069	12.0
393.19153	3.4
409.25531	2.1
410.26624	2.3
411.20175	6.0
411.27451	17.0
412.27667	1.8
427.27170	3.4
449.28641	2.6
458.26852	1.8
459.27542	7.9
465.28491	15.6
467.29907	3.8
470.21390	2.4
476.28079	2.0
477.28241	7.1
483.22183	4.9
495.22589	3.3
495.29504	3.3
497.23859	2.1
511.25253	5.8
536.29651	1.8
540.28003	2.9
554.30884	4.4
584.29907	2.0
603.31628	4.4
609.32733	2.5
621.32800	21.4
638.32538	2.1
684.32117	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	686.3011
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.6
55.23557	0.3
57.03436	1.9
59.06123	0.7
67.05527	0.3
69.03438	0.8
70.06590	0.4
71.04994	11.5
71.58987	0.4
71.59353	0.3
71.75626	0.3
73.02918	0.5
74.81081	0.3
75.04464	0.4
79.05508	0.8
81.03437	0.4
81.07083	0.4
83.04993	0.8
85.02901	15.3
87.04468	0.4
91.05466	2.6
93.07028	0.4
94.04169	0.6
95.04977	1.0
97.02895	0.6
99.04502	0.4
101.07152	1.0
103.05457	6.0
105.07034	0.6
107.04949	15.9
108.05273	4.1
109.02858	0.3
109.06499	0.5
109.25671	0.3
110.14413	0.4
110.19389	0.3
111.04433	1.1
115.05437	0.8
117.07006	2.3
119.04898	1.5
121.06526	1.3
122.03640	0.9
123.04434	0.7
123.08059	0.8
128.06236	0.7
129.05476	3.3
129.07005	0.9
131.04919	15.7
131.08485	0.4
132.05309	0.4
133.06506	0.8
135.04424	0.5
135.08008	1.5
136.05228	0.3
136.76308	0.4
137.05971	28.1
138.06319	0.9
138.65500	0.3
142.81213	0.3
143.08548	0.8
145.02847	0.6
145.06519	0.9
146.03619	0.4
147.04416	1.1
147.06511	1.1
147.08101	0.7
149.05940	1.6
151.03888	0.4
151.07538	13.5
157.06459	1.1
160.05212	0.6
161.05951	3.4
162.06818	2.0
163.03934	3.3
163.07538	42.5
164.07863	0.9
165.09135	0.7
167.07182	0.4
167.08586	0.9
167.18222	0.4
171.08034	1.2
174.06747	0.5
175.03914	0.5
175.07544	6.2
177.09097	100.0
178.07869	0.6
178.09433	1.2
179.06929	0.4
183.08089	0.3
184.40602	0.4
187.07489	0.6
189.09114	2.9
191.08514	0.4
193.08481	0.3
193.10149	0.6
195.08040	1.5
195.10132	3.4
203.10641	1.4
205.04839	0.5
205.08455	0.5
207.08295	0.4
207.10172	0.9
210.06627	0.4
217.04935	0.7
217.08597	0.3
218.05295	0.4
219.08183	0.5
219.10107	1.5
221.06085	0.7
221.11707	24.7
223.07494	0.7
225.09039	0.9
227.10635	2.6
229.08435	0.4
231.10107	0.5
237.09055	0.8
240.07852	0.4
241.04982	0.4
242.05247	0.3
249.11299	0.5
251.10640	0.5
253.08583	1.2
253.12148	1.0
255.10181	1.8
255.80939	0.4
259.05798	0.6
260.06281	0.6
261.11404	0.4
265.08545	1.2
267.10153	0.5
268.13403	0.4
269.07516	0.4
278.09534	0.4
281.11594	0.7
284.06262	0.5
284.10239	0.3
285.11325	1.4
287.12747	4.4
291.09882	0.4
293.11374	0.5
297.11005	0.6
299.12759	0.9
302.07516	0.5
310.11804	0.3
311.12738	2.9
313.14301	4.5
314.07227	0.4
323.12827	0.6
325.14447	0.4
327.15808	0.5
331.15399	20.6
332.16040	0.4
339.15546	0.5
342.10648	0.8
343.15323	4.8
345.16949	1.5
349.14200	0.4
355.15591	1.6
357.17105	0.4
366.10287	0.6
367.15424	2.3
369.16684	0.6
383.11099	0.4
384.11340	1.2
385.16376	1.7
396.11411	0.7
397.16147	0.8
408.11615	1.7
423.17841	1.3
426.12546	0.5
432.11411	0.9
437.19617	0.5
441.18832	1.1
450.12427	1.0
459.20163	0.6
474.12781	0.4
477.20883	0.6
510.14676	0.4
584.14685	0.7
584.48846	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	682.3585
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.3
55.05509	0.7
56.96560	0.3
57.07081	2.8
65.03944	0.2
66.04688	0.3
67.05505	3.3
69.07069	1.0
69.26516	0.2
69.33668	2.2
71.04984	0.3
79.05486	2.3
81.07056	31.8
82.07370	0.3
85.02911	0.5
91.05488	1.3
93.07047	1.4
95.05013	0.3
95.08606	5.3
98.21563	0.4
105.07041	0.6
107.08571	1.1
109.06522	0.3
109.10170	2.1
119.04945	0.8
121.10149	0.9
123.11707	100.0
124.12046	1.7
133.10107	0.8
135.11722	0.4
147.04420	2.3
148.04825	0.3
148.58823	0.2
151.11176	1.9
156.98813	0.2
163.03923	0.9
169.12234	4.8
189.08780	0.2
213.09157	1.6
237.41321	0.2
238.66656	0.2
255.01648	0.2
273.03079	0.3
351.13480	0.5
353.13547	0.4
385.19159	0.2
502.35913	0.3
682.41504	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.436
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49498	1.3
53.03941	3.1
55.01863	4.8
55.05511	23.4
56.96571	2.7
57.03439	10.4
57.07067	5.6
57.61318	1.6
60.35386	1.5
65.03936	3.2
67.05504	58.8
69.07060	13.7
70.53973	4.1
71.04977	3.7
72.93200	1.8
76.14400	1.4
79.05492	36.8
81.03400	2.8
81.06577	3.7
81.07056	74.9
82.07372	1.8
83.04990	4.2
83.08617	10.1
85.06555	2.3
91.05479	30.1
93.07038	50.9
95.04948	8.8
95.08607	47.1
95.09230	1.9
97.06535	3.2
97.10179	6.7
99.00800	2.6
105.07022	13.3
107.04964	2.0
107.08595	31.3
109.06513	2.2
109.10146	15.7
115.05457	2.8
117.07033	7.3
119.04966	8.4
119.08590	12.9
121.10157	16.6
123.04450	1.6
123.08051	4.9
123.11732	6.3
125.09631	3.6
128.06241	5.9
129.07011	8.8
131.04817	1.8
131.08575	9.0
133.06517	1.8
133.10124	7.5
135.11702	15.3
137.05980	5.8
137.13254	5.7
138.86768	1.6
141.06981	15.5
143.08583	7.8
145.06522	6.3
145.10143	7.1
147.04402	38.6
147.11697	7.4
148.04721	2.1
149.05974	2.6
149.13292	4.5
152.06279	2.4
153.06987	8.6
155.08533	15.5
157.06516	10.9
157.10141	3.1
159.08052	3.5
159.11728	5.2
161.05994	3.9
161.13266	5.1
163.07466	2.8
165.05533	1.5
165.07021	4.1
165.12791	1.9
166.07751	2.0
167.08586	12.9
169.06500	9.4
169.10136	4.7
171.08054	28.0
173.05980	13.0
173.13245	2.8
175.07574	6.2
175.09918	1.7
175.14868	2.3
177.09154	2.2
178.07700	2.3
179.08562	8.8
181.06487	45.4
181.10065	10.7
182.07278	3.9
183.08038	43.6
183.11632	3.8
185.06007	5.3
185.09544	7.5
185.13264	1.7
186.06760	3.2
187.07553	14.9
187.14908	2.3
189.09102	2.1
190.07765	1.7
191.07005	6.1
191.08597	5.8
192.09259	2.1
193.10139	5.2
194.07327	3.6
195.08093	20.2
195.11716	6.9
197.06004	4.5
197.09631	10.0
199.07541	100.0
200.07845	2.5
201.09119	16.4
205.08453	2.4
205.10159	5.3
207.08035	11.2
207.11714	3.8
208.08800	2.2
209.09602	20.0
210.10284	2.0
211.07565	5.3
211.11208	7.2
213.09109	14.2
219.08092	4.3
219.11630	3.3
220.08853	2.3
221.09622	9.2
222.10306	2.5
223.07617	3.0
223.11192	8.9
224.08324	2.7
225.09061	7.7
227.07022	2.1
227.10704	5.0
231.11684	2.1
233.09641	7.2
233.13342	4.8
234.10381	1.9
235.11214	4.7
237.09204	3.1
237.12791	2.6
237.16400	4.4
239.02255	3.8
243.11540	2.1
245.09755	2.1
247.11169	4.3
247.14891	5.1
249.12813	4.2
251.14313	4.7
255.01797	3.5
257.03336	5.3
259.20694	2.5
261.12881	2.6
261.22049	9.2
263.14243	1.9
263.29019	1.8
265.15894	13.0
273.02979	3.5
275.14325	16.5
277.16013	2.9
279.17679	2.1
279.23434	1.9
281.15384	3.4
283.16992	9.6
293.15402	24.8
295.17102	2.5
297.14990	2.2
309.14868	3.2
309.18292	2.1
311.12833	2.9
311.16397	48.7
319.16833	2.6
321.18539	2.2
323.16467	2.5
327.15994	2.4
329.17429	35.6
331.17014	2.6
333.09735	3.9
333.18103	1.8
333.24417	2.1
335.25781	55.2
336.26260	2.0
337.18051	6.0
341.17505	2.3
347.18701	2.9
349.17941	7.3
351.19843	1.6
353.26721	2.5
367.19025	9.2
385.06152	2.1
385.20044	24.9
387.22003	1.9
403.07071	3.3
403.21118	15.9
419.06525	3.1
421.22470	2.6
458.20132	1.8
469.22168	16.6
547.42334	1.7
553.36560	6.7
571.37598	8.0
589.38678	3.5
622.14819	2.0
627.40344	4.1
645.41455	13.5
663.42303	27.6
681.19867	3.4
681.43970	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	681.4359
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52660	1.7
53.03948	3.0
55.01872	2.7
55.05515	25.0
57.03442	10.9
57.07073	3.7
64.25858	1.6
65.03924	2.9
67.05171	3.0
67.05508	47.5
69.03398	1.7
69.07059	14.3
79.05487	34.3
81.07059	67.6
82.07423	1.8
83.04987	4.3
83.08624	11.3
89.06049	1.9
91.05473	24.9
93.07043	44.2
95.04967	6.6
95.08604	40.6
97.06525	1.9
97.10160	7.8
98.21447	4.0
105.07021	16.2
107.08585	24.6
109.10170	14.0
111.08115	1.9
115.05406	1.8
117.07025	6.9
119.04946	4.8
119.08587	13.6
119.24532	1.6
121.10135	14.1
123.08074	4.7
123.11689	6.6
125.09582	2.1
128.06241	5.5
129.07013	7.2
131.08562	12.8
133.10115	6.9
135.11714	9.9
137.05923	4.4
137.13290	6.1
141.06985	14.9
143.04921	2.0
143.08531	11.9
145.06482	3.8
145.10120	7.4
147.04384	10.8
147.11679	7.8
149.05972	2.5
149.13268	7.0
153.07018	9.3
154.07739	2.7
155.08572	20.8
157.06503	7.8
157.10120	3.8
159.08058	3.2
159.11707	5.4
161.06047	3.3
161.13309	4.8
163.14784	3.8
165.05757	1.8
165.06932	8.3
166.07858	3.0
167.08534	11.9
169.06522	11.3
169.10146	4.7
171.08054	22.8
171.11606	2.6
173.05940	14.2
173.13295	5.6
175.07547	4.4
175.14856	2.6
177.09084	2.6
178.07733	1.8
179.08516	8.5
181.06480	43.4
181.10130	11.6
182.07289	1.8
183.08058	46.4
183.11656	2.5
185.05956	4.2
185.09610	6.9
186.06755	2.8
186.37534	1.8
187.07547	17.6
187.14922	2.4
191.07039	6.8
191.08582	3.8
193.10164	3.6
194.07231	3.2
195.08069	23.2
195.11697	5.9
197.06032	3.8
197.09639	11.4
199.07547	100.0
200.07861	2.9
201.09097	18.4
203.06941	2.2
203.08589	3.1
204.09290	1.8
205.10146	5.0
207.08084	12.1
208.08777	3.9
209.09604	22.0
209.13300	2.3
210.10466	1.9
211.07513	5.8
211.11186	5.1
213.09148	13.1
215.07030	3.7
215.10599	1.8
219.08028	4.2
219.11922	2.7
220.08832	2.8
221.09601	8.4
223.07605	1.8
223.11148	6.6
223.14809	2.6
225.09132	7.3
227.10672	6.6
227.20044	3.7
231.08154	2.4
233.09550	8.5
235.11147	4.7
235.14720	2.2
237.09081	6.0
237.12714	2.9
237.16386	5.2
239.10742	4.1
241.12117	1.7
241.19505	2.6
243.21005	2.8
245.09563	2.2
245.13391	1.8
247.11172	5.1
247.14848	4.8
249.12805	4.0
251.10667	2.6
251.14232	4.1
253.15855	3.4
259.20712	2.6
261.12939	2.3
261.22186	9.8
263.14264	2.7
265.12094	1.6
265.13016	1.9
265.15872	19.0
275.14252	14.3
277.15860	3.6
281.15378	2.5
283.16913	10.8
291.13821	2.0
293.15329	23.7
295.17001	4.6
307.16943	2.9
309.14883	4.4
311.16415	51.0
313.18118	2.9
321.18292	3.4
323.16440	2.7
329.17456	35.9
335.21991	3.4
335.25815	54.7
337.17932	7.1
341.17749	2.3
349.17850	10.2
355.18997	3.7
363.19040	1.9
367.18939	10.6
381.13245	3.0
385.20084	24.3
387.22495	2.7
401.19318	2.0
403.21091	20.5
405.23273	2.8
443.25681	2.3
535.35669	2.9
543.38214	2.2
553.37177	8.3
571.37866	10.3
589.38556	5.6
627.40173	5.9
645.41486	20.0
663.32068	2.7
663.42584	31.1
676.38434	1.9
681.44342	14.2
697.39581	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	680.3849
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32766	1.2
55.05511	9.6
57.03438	8.0
57.07077	3.3
61.02641	2.0
61.02924	25.0
65.03947	1.5
67.05503	51.6
69.03429	4.5
69.07066	13.7
70.62171	1.4
70.62515	5.2
71.04980	2.0
72.08122	1.8
72.08725	1.3
73.02918	9.1
79.05491	36.3
81.03409	2.5
81.07057	84.4
83.08604	6.6
85.02901	29.4
85.06534	4.9
85.93370	1.4
91.03961	28.4
91.05479	21.4
93.07045	46.8
95.04956	3.9
95.08605	65.3
97.02885	13.4
97.06544	3.3
97.10165	4.7
99.04442	1.6
99.06895	1.4
99.08072	3.0
103.03956	1.4
105.07038	20.8
107.04929	1.8
107.08591	39.5
109.06524	1.9
109.10155	39.3
111.08075	2.5
113.09666	1.4
117.07013	7.0
118.17708	1.2
119.04947	6.2
119.08576	18.6
121.09304	2.7
121.10144	34.8
123.08054	3.2
123.11709	20.4
125.09593	3.0
127.03918	8.5
129.07056	1.4
131.08577	18.8
133.10139	20.6
135.11685	37.7
137.09624	2.8
137.13257	4.8
139.11154	2.0
145.04948	11.1
145.10114	21.3
147.04414	22.9
147.11678	16.7
147.60480	1.5
149.13243	22.2
151.11179	6.2
159.11682	20.5
161.13243	6.5
163.03937	3.4
163.06039	20.9
163.14799	8.6
165.12753	2.6
173.13234	14.5
187.14790	6.1
194.03583	1.4
201.16373	2.3
205.16006	1.9
219.21106	3.2
229.19505	42.6
247.20573	100.0
249.22240	1.7
257.03534	2.1
265.21741	4.8
321.24255	36.4
339.25287	61.9
340.25604	1.5
341.54584	1.4
483.29590	6.4
545.22778	1.8
574.60333	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3747
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	1.5
55.05509	8.1
57.03426	5.5
57.07071	3.8
61.02928	21.3
61.22208	1.1
67.05505	58.9
69.03416	4.5
69.07064	13.2
71.04982	3.5
71.58469	1.8
73.02921	9.1
75.04475	1.2
79.05058	2.5
79.05494	39.2
81.03408	1.9
81.07057	70.2
83.04984	1.5
83.08611	7.3
85.02906	26.8
85.06530	3.8
91.03954	25.8
91.05479	22.7
91.53255	1.2
91.79945	1.3
93.07043	54.9
95.04964	3.6
95.08606	54.8
97.02892	10.8
97.06541	4.5
97.10165	4.1
99.08072	2.1
105.07024	18.7
107.08591	35.9
108.62829	1.4
109.06473	2.1
109.10154	32.3
111.08096	2.0
113.13095	1.2
117.07005	8.8
119.08590	16.1
121.10143	32.9
122.37702	1.3
123.08015	1.8
123.11703	18.2
125.09664	1.5
127.03922	8.3
131.08565	21.8
133.10123	18.5
135.11702	31.0
137.13257	7.5
139.11223	3.1
145.04958	11.1
145.10127	16.6
147.11673	10.6
149.13274	23.6
151.11151	2.4
151.14847	2.2
153.12782	1.9
159.11705	14.3
161.13245	10.1
163.06013	18.6
163.14824	15.6
165.12738	2.4
171.11708	1.4
173.13268	18.7
175.14821	3.1
177.12766	1.5
177.16411	6.2
179.14287	3.6
187.14827	8.6
201.16371	3.3
205.15836	2.5
215.17963	1.9
233.22661	3.4
243.21091	36.7
244.21396	1.6
261.22150	100.0
262.22311	2.6
263.23749	1.6
279.23169	3.0
280.51089	1.3
326.67227	1.4
335.25800	18.3
353.26868	36.1
354.27216	1.9
479.29639	1.7
497.31216	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	679.2973
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39933	1.1
55.05499	1.1
58.01094	1.0
65.03948	1.0
65.81773	1.0
67.05477	1.9
69.25095	1.0
71.04980	2.3
79.05474	1.4
80.05045	1.7
82.06565	1.8
83.08616	1.4
85.02891	5.1
91.05489	4.0
93.07059	5.4
94.06564	9.3
95.04963	1.5
95.07365	5.7
96.08128	14.5
97.02889	1.8
97.06522	2.4
100.11247	4.5
103.05421	1.8
106.06542	4.8
108.04446	1.5
108.08122	16.7
110.06016	2.3
110.09682	22.1
112.72471	1.2
118.06532	1.2
120.04459	3.7
120.08099	18.0
121.06525	1.2
122.06019	8.1
124.07603	12.0
131.04889	1.9
134.06009	2.1
134.09648	1.5
136.07571	19.5
137.05959	2.3
138.05513	1.6
138.09132	32.9
140.07074	1.4
144.04466	3.6
146.06007	16.6
147.04398	6.1
148.07573	13.4
150.05502	1.1
150.09137	10.3
152.07077	15.5
158.06013	1.5
160.07553	1.9
161.06003	2.2
162.05498	4.3
162.89339	1.1
163.03902	5.1
164.07066	9.5
166.08636	75.9
167.07033	2.5
172.03934	20.7
175.12309	1.2
177.05455	3.6
182.08188	2.7
182.15323	3.0
183.09120	1.4
190.04988	15.5
191.07047	2.0
192.07938	1.6
197.10704	1.9
198.11510	2.9
199.12370	1.3
204.06566	30.8
209.10715	2.9
209.16481	2.9
210.11514	3.5
210.14815	2.4
211.12317	7.1
212.09312	1.4
212.12984	2.4
218.08081	3.1
221.10773	2.0
222.11449	1.5
223.08775	1.5
223.12332	5.1
224.09357	1.6
225.10236	3.8
225.13834	2.8
226.10989	3.0
227.11783	5.5
229.13287	1.1
235.08510	2.6
235.12262	1.9
236.09262	2.6
237.10162	9.5
237.13782	2.6
238.11035	8.8
239.11812	13.8
239.62384	1.1
240.12508	1.6
241.10019	1.1
241.13252	2.4
245.12810	2.2
248.09383	1.4
249.10216	14.3
250.10925	10.6
251.08026	2.0
251.09070	1.5
251.11809	18.9
252.09004	1.8
252.12402	4.9
253.09686	1.6
253.13326	6.6
255.11400	3.1
256.11926	3.6
257.12796	3.1
262.11084	1.9
263.08994	1.9
263.11777	32.2
264.08875	3.3
264.12494	10.0
265.09711	5.9
265.13318	18.3
266.10449	5.1
267.11292	10.1
269.12790	6.5
271.14438	5.1
273.12317	4.2
275.11679	1.7
276.08713	1.1
277.09601	5.1
278.10446	6.3
279.11264	29.9
280.11945	3.9
281.12869	14.9
282.10056	2.1
283.10767	7.4
283.14297	1.1
284.11392	3.3
285.12338	14.5
287.10672	1.8
287.13690	5.9
291.11292	29.7
292.11908	7.7
293.12808	26.6
294.09891	1.2
294.13080	2.0
295.10910	5.5
295.14078	2.0
296.11560	4.0
297.12329	46.7
298.13120	5.3
299.13870	27.1
301.11661	1.6
304.08368	1.3
305.14893	4.2
307.10806	2.0
309.12317	34.9
310.12952	3.2
311.10156	4.8
311.13892	11.6
313.11710	1.5
315.13376	20.9
315.17020	1.1
316.13736	1.3
319.10751	20.6
321.12469	6.5
323.10413	7.6
323.16318	2.9
325.11853	33.5
326.12057	1.8
327.13361	4.6
337.11801	94.4
338.12024	4.3
339.13339	4.7
341.11230	3.7
343.13031	5.9
355.12820	3.3
356.13751	2.0
357.14444	10.6
358.15302	1.5
362.18790	1.4
369.14328	7.5
371.11313	1.6
371.15775	2.5
372.17041	1.4
373.13925	3.7
388.16138	1.7
390.18149	2.0
399.15479	1.9
401.13358	9.1
404.19836	1.7
414.18530	1.4
416.15652	2.4
430.17462	2.2
432.19305	2.3
438.19989	1.5
444.19504	1.7
446.21127	2.4
448.18542	2.0
449.19748	2.5
450.20480	7.4
458.17123	2.7
462.20346	9.8
464.21985	62.2
465.22037	3.0
472.18405	2.9
476.18185	5.4
482.19196	3.7
490.19739	100.0
491.20090	3.8
492.20935	2.0
494.19278	1.7
508.20801	11.9
514.21967	2.6
522.22351	72.9
523.22992	5.2
526.22339	1.7
587.24750	4.2
603.27899	3.4
611.25159	10.1
629.26074	17.0
643.27466	1.3
647.27069	48.9
648.27234	3.4
661.28302	2.2
679.29932	9.6
679.51019	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	677.374
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.8
55.05511	12.8
56.31417	1.0
57.03440	6.2
57.07084	4.2
61.02637	1.4
61.02927	18.8
65.03891	0.9
67.05506	75.1
69.03429	3.0
69.07069	14.0
69.26736	0.7
70.07510	1.7
70.07925	3.3
71.04993	2.8
71.08632	1.3
73.02917	7.9
75.04488	1.8
79.05492	40.9
80.05820	0.8
81.03420	1.7
81.07058	90.8
82.07388	1.0
83.04993	1.8
83.08617	7.0
85.02902	22.0
85.06551	3.6
89.69296	0.8
91.03951	19.3
91.05479	21.9
93.07045	57.9
94.07351	1.0
95.04972	3.6
95.08607	70.5
96.08949	0.8
97.02892	12.4
97.06539	3.8
97.10172	3.8
99.04474	1.5
99.08099	2.8
101.02405	1.0
101.70519	0.9
102.43449	0.8
105.07031	19.1
105.07674	1.4
107.05102	0.8
107.08591	38.5
109.02866	0.9
109.06520	1.8
109.10155	42.7
111.08080	3.2
113.09629	1.0
115.03976	0.9
117.07006	8.5
119.08581	15.7
121.10145	38.5
123.08097	2.3
123.11713	20.8
125.09657	1.5
125.13362	0.7
127.03897	7.7
131.08574	19.7
131.09523	1.6
133.06444	0.8
133.10130	15.1
135.11691	32.1
135.12709	1.7
136.12021	1.2
137.09642	2.4
137.13245	8.8
139.11221	1.6
141.52715	0.9
145.04964	9.6
145.10115	15.8
147.11679	13.4
149.13252	25.2
151.11191	2.2
151.14854	1.8
153.12756	1.4
159.11693	14.3
161.13266	13.0
163.06023	13.2
163.14830	17.3
165.12787	2.3
171.11693	1.3
173.13257	18.5
175.14836	4.8
177.12856	0.9
177.16377	6.6
179.14328	2.8
187.14821	11.2
187.68253	0.8
191.14294	1.6
195.13939	1.0
201.16440	3.5
203.72151	0.8
205.15849	1.5
205.51054	0.9
215.17998	2.5
233.22675	2.7
243.21088	38.0
246.15517	0.8
261.22137	100.0
262.22510	2.6
263.23825	1.5
279.23172	5.9
317.24841	2.0
335.25793	35.1
336.26047	1.0
353.26865	39.4
354.27371	1.4
405.66333	0.9
461.28979	0.9
479.30035	1.0
497.31149	8.0
641.45270	0.8
677.34448	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.2814
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	1.5
64.22229	1.4
67.05501	2.8
69.07053	1.7
70.84697	3.3
71.04995	2.8
79.05479	5.8
80.05031	2.2
81.03419	2.3
81.05807	2.2
81.07069	8.2
81.55005	1.2
82.06569	3.1
85.02897	4.6
87.69216	1.2
91.05467	7.0
93.05782	1.4
93.07042	16.7
94.06014	1.7
94.06576	17.6
95.04967	4.5
95.07349	15.3
95.08603	3.3
96.08124	38.3
97.06506	3.2
103.05463	3.0
105.07018	2.1
106.06559	3.2
107.04967	1.2
107.08542	1.2
108.04469	9.7
108.08110	21.2
109.02885	1.7
109.08892	2.6
109.10080	1.4
110.06058	2.1
110.09677	67.8
119.04971	1.6
119.08557	1.2
120.04463	13.9
120.08106	41.4
121.06518	2.7
121.10153	1.2
122.06025	5.0
123.06821	2.5
124.07620	3.1
131.04895	1.2
133.06531	1.2
134.05984	3.0
135.04428	1.4
136.07564	10.2
137.05952	3.2
138.09135	82.2
138.85063	1.2
146.05968	2.5
147.04430	3.0
148.07556	11.9
150.09140	1.3
152.07054	2.2
160.07558	2.8
162.05560	1.4
163.03920	5.7
164.07062	2.1
166.08633	76.3
167.07068	1.9
172.03960	3.7
181.04970	1.3
190.04956	2.9
199.08728	2.2
204.06621	5.1
207.06488	1.3
209.10748	2.7
211.08708	4.9
213.10246	3.7
214.08676	1.6
223.08751	1.6
223.12323	2.7
224.09419	1.8
224.54735	1.5
225.06659	2.5
225.10283	7.3
226.08655	2.0
227.11896	3.8
233.10837	1.6
235.08772	3.7
236.09425	6.8
237.10220	11.0
238.11026	3.6
239.08167	2.3
239.11835	9.2
241.09717	4.1
241.13293	1.7
249.10240	16.4
250.10991	8.4
251.08133	2.0
251.09090	1.9
251.11809	27.8
252.12491	6.2
253.09715	4.2
253.13391	4.8
255.11240	2.4
261.10205	3.3
263.11844	8.6
265.09827	5.3
265.13297	6.6
267.11313	3.4
269.10150	1.1
269.12878	33.1
271.10718	1.7
273.12439	3.4
275.11795	2.4
277.09698	2.9
277.13223	1.7
279.11349	5.5
281.09320	1.4
281.12851	2.1
282.09952	1.4
283.10693	3.6
285.12332	4.9
289.13162	1.4
290.13202	1.4
291.11203	1.5
295.10818	4.8
297.12354	11.8
298.13382	2.6
299.10672	2.6
299.14069	4.2
300.11615	1.8
300.15152	1.8
301.12695	1.9
302.12973	3.4
302.16678	1.6
303.13599	2.0
304.14722	2.1
308.14053	1.3
309.12369	5.0
310.13245	1.7
311.10443	2.3
311.14047	3.8
312.14969	1.4
313.12344	2.3
314.13077	2.4
314.16559	7.3
315.13730	2.1
315.17307	1.3
316.14505	5.9
317.11813	1.3
318.12366	1.9
323.10385	1.4
325.11893	4.9
326.13089	2.0
326.16708	2.0
327.13702	5.0
328.11026	1.4
328.14615	4.0
329.11597	2.4
329.15457	1.6
330.12329	4.6
330.16135	4.8
331.13409	2.8
331.16983	1.7
332.14023	2.5
337.11670	1.4
338.12833	1.7
340.14478	3.4
341.15424	2.4
342.12244	3.6
342.16223	3.4
343.13354	4.8
344.14050	9.9
344.17722	2.0
345.14886	3.5
346.15558	4.6
354.12299	1.9
354.16083	3.2
355.13492	1.8
356.13968	7.1
356.17773	2.9
357.14786	4.8
358.11783	1.8
358.15604	9.0
359.16348	4.6
360.17172	3.6
362.15091	2.7
368.13895	2.1
370.15549	2.9
371.16367	4.4
372.17203	7.5
373.14188	5.4
374.15018	3.8
374.19171	2.4
382.15729	3.4
383.12872	2.4
384.17188	7.7
385.14545	2.0
386.15051	9.3
387.15762	9.2
388.16739	10.0
389.13477	2.0
390.18082	4.1
391.15771	1.5
399.16003	1.5
400.16614	17.0
401.13873	3.5
402.18335	9.1
403.15393	1.4
404.16190	1.9
405.16705	1.8
406.17538	3.9
412.16644	2.5
414.14508	1.9
415.15097	1.7
416.16016	43.3
418.17545	13.4
428.16068	15.0
430.17807	5.4
432.15320	1.7
434.17111	44.4
435.17776	1.5
436.18793	2.9
438.14410	2.0
446.17126	78.1
447.17508	2.4
448.18777	4.8
452.18192	8.7
456.15524	3.6
462.16379	6.4
464.18167	15.5
474.16693	5.2
480.17776	6.1
494.19388	5.0
497.20853	1.3
506.19174	5.6
512.20337	26.7
524.19910	7.1
553.24591	4.8
563.23383	2.1
565.24402	2.1
571.25281	3.5
581.15460	1.8
581.23932	17.6
583.25641	7.1
599.25006	76.6
600.24976	2.5
601.26508	3.4
609.23547	7.3
617.26044	25.3
627.24457	20.7
641.25726	6.0
645.25482	97.8
659.27399	12.6
677.28070	100.0
678.27899	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	677.2814
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12411	0.7
51.15594	0.7
53.03950	1.6
53.46509	0.6
55.01857	1.3
55.05497	1.1
57.03418	1.0
62.43298	0.7
66.48396	0.7
67.05498	2.3
69.07069	1.0
70.16135	3.8
71.04975	2.0
79.05492	5.4
80.05009	2.6
81.03407	1.4
81.05801	1.5
81.07059	2.7
82.06585	2.2
83.04977	1.1
85.02904	3.5
86.87934	0.8
90.65230	0.7
91.05465	4.5
93.05794	0.9
93.07047	13.9
94.06560	16.0
95.04967	3.4
95.07353	15.7
95.08601	3.0
96.08128	30.7
97.06528	3.2
103.05472	3.1
105.04543	0.9
106.06529	2.0
107.04950	1.1
107.08604	0.8
108.04484	8.8
108.08115	22.2
109.08904	2.7
110.06037	0.9
110.09677	58.4
111.10016	0.9
118.06513	1.3
120.04449	10.1
120.08099	35.0
121.06542	1.9
122.05290	0.9
122.06012	5.3
123.06803	3.1
124.07604	2.6
134.06041	2.3
135.11703	0.9
136.07576	7.4
137.05965	1.9
137.91364	0.7
138.09131	65.7
146.06041	3.0
148.07549	9.8
150.05475	1.2
150.09106	0.9
154.94942	0.8
158.09496	0.7
160.07625	2.2
161.05913	0.8
163.03897	2.9
164.07066	2.2
165.05516	1.0
166.08632	63.1
167.07072	2.3
172.03961	1.8
174.09166	1.1
186.07860	1.1
187.08745	0.9
190.04987	1.1
197.10808	1.2
199.08691	2.9
200.09518	1.0
201.10338	1.1
204.06648	3.3
209.10774	1.5
210.11443	1.2
211.08665	3.2
211.12379	0.9
212.09300	1.9
213.06647	1.9
213.10240	3.5
215.08279	1.0
217.09764	1.4
221.10770	1.5
222.11531	1.9
223.08760	3.0
223.12346	2.5
224.09462	2.7
225.06618	3.9
225.10237	6.5
226.10960	2.8
227.08249	1.2
227.11815	4.0
235.08644	3.7
236.09445	6.5
237.10216	9.9
238.11034	3.4
239.08147	2.2
239.11789	8.6
241.09752	3.2
243.11336	2.2
245.12816	1.6
248.09360	1.9
249.10228	14.4
250.10997	6.3
251.08237	2.2
251.11798	21.6
252.12486	5.5
253.09834	4.8
253.13356	4.7
254.10532	1.0
254.24966	0.7
255.11421	2.0
261.10321	1.5
263.08105	1.5
263.11871	7.5
264.08957	1.3
264.12540	1.1
265.09775	4.9
265.13248	4.6
266.10532	1.5
266.13901	0.9
267.11383	3.3
269.09760	1.7
269.12854	23.4
271.10721	1.8
271.14517	1.1
273.12442	2.9
275.11868	2.3
277.09814	2.1
277.12875	0.9
278.10416	1.9
278.13144	1.1
279.11264	5.1
280.12213	1.4
281.09354	1.4
281.12701	1.6
282.10181	0.9
283.10730	4.0
285.12405	3.1
287.11606	1.0
288.11752	1.2
289.13309	1.6
291.11157	0.9
295.10803	2.5
297.12277	9.7
298.13217	1.8
299.14075	2.7
300.15054	2.0
301.12628	1.5
302.13153	1.9
302.16611	1.0
303.13953	1.9
304.14670	1.8
308.14090	0.9
309.12146	4.7
310.13223	1.3
311.10349	1.9
311.13885	3.8
312.15094	1.3
314.12936	2.9
314.16565	7.6
315.13943	1.7
316.14606	2.6
317.12189	1.1
318.12650	1.2
318.16016	1.5
323.10367	1.1
325.12000	2.9
326.13071	1.2
326.16641	1.6
327.13620	4.6
327.17349	1.2
328.10883	1.7
328.14511	3.7
329.11768	1.9
329.15765	1.4
330.12485	3.9
330.16156	3.1
331.13220	1.5
331.16861	1.5
332.13901	2.3
332.17526	1.1
333.14813	1.0
336.61414	0.8
339.14035	0.9
340.14572	3.0
341.12067	1.1
341.15674	1.0
342.12482	3.5
342.16187	3.6
343.13214	2.8
343.16922	1.1
344.13956	8.3
344.17676	1.6
345.14908	2.6
346.15414	3.8
353.11691	0.8
354.12186	1.7
354.16077	2.6
355.13406	1.3
356.13947	4.7
356.17752	2.7
357.14908	3.7
358.11911	1.6
358.15546	8.5
359.16373	3.7
360.17133	2.2
361.14194	1.2
363.13403	1.0
368.14099	3.1
369.14914	1.5
370.15628	2.4
371.12378	1.3
371.16302	3.1
372.13354	2.8
372.17386	7.0
373.14584	2.9
374.15012	3.3
382.15613	2.6
383.13733	1.0
384.17285	6.0
385.14346	1.4
386.15051	5.8
387.15967	6.9
388.13678	0.8
388.16855	6.6
389.13889	1.5
390.18237	1.2
398.15039	2.1
400.16608	13.1
401.13773	1.2
402.13663	1.3
402.18451	5.5
404.15866	1.3
406.17661	4.1
410.15125	2.3
412.16476	1.7
414.14194	1.1
415.15253	1.0
416.16019	32.7
417.16580	1.8
418.17795	6.4
420.15347	1.5
421.16370	1.6
428.16068	13.4
430.17456	4.1
434.17102	36.3
435.17700	1.1
436.18683	1.8
438.14206	1.7
444.15488	2.4
446.17105	57.7
447.17227	1.8
448.18793	3.2
452.18243	5.9
456.15686	3.8
462.16385	8.2
464.18079	9.6
474.16269	6.6
480.17706	5.3
494.19101	8.9
506.19098	8.3
512.20245	24.0
524.20233	9.1
553.24408	3.9
563.23328	1.5
571.25507	2.7
581.23962	13.7
583.25208	4.0
599.24969	49.4
600.25513	1.4
601.26544	1.1
609.23242	5.5
617.26117	14.4
627.24451	17.7
641.26056	8.5
645.25525	68.0
646.25732	1.2
659.26965	13.1
677.28107	100.0
678.27869	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	677.2815
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.0
55.01863	3.8
55.05499	4.7
57.40653	1.9
59.87603	1.9
67.05479	6.5
69.03419	6.5
69.07042	3.4
69.69446	5.9
69.69827	14.5
70.37886	2.5
71.04987	7.9
79.05499	10.7
80.05024	3.1
81.03404	5.6
81.05783	2.2
81.06656	2.2
81.07063	16.8
82.06580	3.4
85.02905	11.1
91.05465	6.9
91.48346	2.0
93.07044	21.7
94.06573	14.6
95.04947	8.4
95.07361	16.0
95.08598	7.9
95.75432	2.0
96.08140	32.4
97.02843	3.7
97.06511	5.0
97.58025	2.0
103.05450	5.1
103.42565	1.9
105.07010	4.7
107.04958	3.0
107.08593	3.5
108.03786	2.0
108.04491	6.4
108.08115	26.4
109.02883	4.7
109.06525	2.2
109.08906	2.8
109.10134	3.7
110.06152	2.4
110.09682	52.0
111.04478	2.4
117.06989	2.6
118.06475	2.3
118.73927	2.1
119.04952	4.2
119.08588	3.9
120.04468	5.2
120.08112	40.4
121.06554	4.7
122.06017	10.0
123.04420	3.8
124.07597	4.8
127.03861	3.3
133.06464	4.4
133.10129	3.8
135.11639	2.7
136.07561	11.5
137.05983	8.3
138.09132	68.3
145.06464	3.0
145.10120	2.5
146.05997	3.3
147.04381	9.8
148.07553	9.9
151.07506	2.5
152.07037	3.1
153.05386	2.3
161.09647	3.3
163.03932	11.6
164.04143	2.7
164.07089	3.4
166.08636	62.6
167.07024	5.0
172.03903	5.2
176.07129	2.8
178.04973	2.3
184.09930	2.4
190.04948	7.1
197.07120	3.8
197.10625	2.5
199.08630	9.2
204.06519	8.3
210.11447	2.4
211.08681	9.5
213.06653	10.3
213.10191	4.2
223.08626	4.6
224.09430	4.2
225.06685	11.8
225.10210	9.5
227.08148	5.5
227.11839	3.9
235.08678	4.6
236.09630	2.2
237.10220	14.0
238.10889	5.1
239.08119	9.2
239.11748	8.1
241.09726	6.9
248.09407	3.2
249.10266	15.6
250.10942	6.0
251.08203	16.4
251.11763	17.1
252.12421	4.4
253.09691	6.5
253.13280	3.0
255.11287	3.7
259.10651	2.8
263.08304	3.5
263.11746	10.1
265.09665	9.0
265.12949	4.0
267.11252	7.3
269.09845	2.6
269.12766	6.2
273.12344	5.3
277.09586	7.6
278.10394	3.6
279.11279	10.5
280.11444	2.7
281.09131	4.1
281.12531	4.2
283.10696	8.4
285.12436	4.1
289.09149	2.5
293.09195	7.2
295.10809	6.6
296.11609	2.7
297.12381	8.9
299.14172	2.8
300.11288	2.7
301.12677	2.5
302.09442	3.2
302.13071	3.1
303.13412	7.1
305.12378	3.7
306.09903	2.8
307.10660	2.9
309.12262	8.1
310.12988	2.5
311.10190	4.3
311.13998	4.3
313.12225	3.4
314.12949	6.6
316.14484	4.0
318.12149	4.8
323.10318	5.1
324.11224	2.7
325.11789	2.8
327.13544	8.1
329.11462	5.1
329.15118	2.7
330.12369	7.9
330.15930	3.2
332.13940	7.3
333.14551	5.0
337.11908	2.9
342.12317	6.6
342.16003	4.3
343.13547	4.5
344.13950	11.0
345.14630	6.1
346.11838	5.3
354.12161	3.8
356.13849	7.8
357.14981	5.1
358.15521	7.2
360.17065	4.3
361.13727	3.7
369.14423	4.2
370.11517	2.7
370.15714	3.6
371.12402	10.5
372.13138	3.6
372.17358	3.3
373.14102	5.0
374.15018	5.7
376.16574	3.0
378.14478	3.1
384.17242	5.5
386.14896	4.5
387.15707	7.7
388.16614	6.8
389.13644	10.3
398.15009	2.8
400.16711	12.8
401.14087	6.8
402.13666	3.1
404.16235	3.2
406.17529	3.4
410.14716	2.9
412.16592	5.0
415.15195	4.0
416.16095	24.9
417.16483	3.5
418.17856	11.0
419.15637	3.7
420.15134	3.2
421.15921	2.6
428.15973	11.7
430.17670	10.6
431.15228	2.7
434.17242	17.8
436.18497	2.8
438.14612	5.3
444.15503	31.1
446.17130	27.5
447.15927	3.2
452.18091	3.9
456.15289	15.8
462.16592	56.7
464.17899	3.0
474.16541	63.1
480.17581	27.8
492.17551	17.9
493.18039	2.9
494.19226	47.9
506.11780	1.9
506.19147	57.4
507.19287	2.8
512.12653	4.0
512.20282	82.8
513.20245	2.4
524.20276	58.8
581.23755	5.1
599.24884	19.1
609.23450	25.6
627.24457	100.0
628.25323	3.7
641.16309	3.5
641.25922	39.9
645.25549	39.3
659.26837	53.2
660.27155	3.2
677.26666	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	676.3893
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20299	1.6
52.81738	1.7
53.03941	2.7
55.01861	2.0
55.05506	16.8
56.96558	2.1
57.03434	14.9
61.02905	3.9
64.95055	1.7
65.03924	2.4
67.05170	2.6
67.05505	42.4
69.03416	4.0
69.07070	15.0
71.04986	7.6
71.59160	2.0
73.02905	3.3
79.05489	26.2
79.88486	1.6
81.03417	42.2
81.07056	57.6
83.04985	14.0
83.08617	22.5
85.02912	18.5
85.06513	2.0
91.03934	2.5
91.05485	25.7
93.06468	2.6
93.07047	40.5
95.04967	19.3
95.08611	16.7
97.02884	4.6
97.06521	7.5
97.10133	2.5
101.47795	1.7
105.07030	15.8
107.04936	5.8
107.08587	23.9
109.06487	6.6
109.10154	6.7
111.04410	3.2
111.08096	12.3
111.08746	1.8
115.05430	2.6
117.06995	6.0
119.04914	4.6
119.08570	11.8
121.06484	2.4
121.10165	17.2
123.08068	2.9
129.06967	7.8
131.08556	13.7
133.10118	13.3
135.11674	6.6
142.07797	2.6
147.04399	7.1
147.07962	2.3
147.11685	13.6
149.09616	4.4
149.13240	15.6
151.11165	2.2
157.10168	9.3
159.11705	5.4
163.03864	3.7
165.12694	2.7
175.11183	9.3
177.12762	2.2
193.10583	3.4
193.12233	30.9
193.53987	1.9
195.13844	5.0
211.13269	34.8
239.02255	2.4
267.15875	26.8
269.14545	2.8
269.17459	60.3
270.18039	1.7
285.16931	29.6
305.74850	1.7
382.40482	1.9
461.28992	64.8
462.29343	2.6
471.84534	1.9
479.30002	100.0
480.30646	4.6
556.80615	1.9
559.50433	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	672.2299
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16122	0.3
63.42902	0.3
65.91903	0.3
67.05499	0.4
70.66585	0.9
70.66942	0.4
78.00310	0.3
81.07041	1.1
91.05455	0.3
95.08595	0.5
105.06992	0.3
119.04919	0.4
133.10121	0.4
137.13278	0.4
147.04420	1.1
179.06125	0.3
194.33246	0.3
313.27383	0.6
359.68967	0.3
384.12125	0.6
385.13132	0.4
386.13574	0.4
395.10321	0.5
397.12573	0.8
398.13718	1.1
399.14548	0.7
400.15585	0.5
408.11496	0.4
409.11987	1.2
410.12634	1.7
411.14600	1.5
412.15158	2.5
413.16144	2.3
414.12476	0.5
417.46881	0.3
422.12637	0.7
423.13022	1.4
424.14236	3.6
425.15219	5.4
426.17197	1.7
427.18097	1.7
428.18887	2.3
429.15710	0.9
436.13892	1.3
437.14911	1.2
438.16238	2.8
439.12671	1.1
439.16800	1.4
440.13474	1.7
441.14218	4.8
441.20251	1.6
442.19226	0.7
443.17053	1.0
450.16000	0.9
451.16055	1.1
452.13919	1.0
452.16962	0.5
453.15216	1.2
454.14902	1.5
454.18811	2.9
455.16476	3.1
456.17761	0.9
457.18982	0.5
458.15579	0.5
465.14404	0.7
466.14474	0.4
466.18723	1.1
467.17212	2.0
468.18185	2.2
469.18814	2.3
470.18433	4.2
471.16647	0.9
472.17487	0.7
479.14102	0.4
480.16345	1.3
481.18384	1.9
482.14520	1.3
482.18478	1.4
483.16199	3.1
484.16626	0.9
485.18674	1.5
487.15656	0.4
494.18802	2.4
495.17157	1.1
496.17029	2.6
497.17191	4.7
498.17670	2.5
499.16437	0.6
508.16287	1.0
509.17612	1.6
510.19119	1.7
511.15924	1.6
512.15790	1.9
513.17474	1.0
515.23187	0.6
522.18341	0.7
523.16821	0.4
524.15710	1.7
525.16162	1.7
526.17273	7.6
527.17023	1.7
536.18872	0.8
537.18018	1.6
538.13940	1.4
539.18262	1.4
540.18854	1.0
541.18872	0.8
543.21552	0.5
551.18909	0.4
553.18787	1.3
554.19446	0.6
555.18640	0.5
556.19153	1.1
558.21014	0.7
559.21967	0.4
568.20917	0.4
569.20605	2.1
580.18671	0.5
582.20599	0.6
584.21191	1.0
585.22345	4.4
586.21936	0.5
587.21289	0.9
596.21478	2.1
597.20020	1.4
598.19116	0.9
600.22919	0.5
601.22876	0.4
612.20868	6.3
613.21814	3.4
614.22437	2.3
615.20740	0.5
616.23834	0.6
628.23932	3.6
629.22198	1.8
630.21790	0.4
640.20258	2.4
641.20282	0.4
642.22888	2.2
644.23218	1.0
672.22809	100.0
673.23169	9.7
687.96240	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	674.2221
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67205	0.3
53.03938	0.3
54.03458	1.1
55.04231	0.4
56.25276	0.4
56.96564	0.3
57.03419	0.5
62.56051	0.3
65.03931	0.3
68.99786	0.9
69.03428	1.1
69.84110	2.0
70.06586	100.0
71.05007	1.4
71.06905	0.4
79.05495	0.5
81.03416	0.8
81.07060	0.5
81.92384	0.3
85.02897	2.4
89.03914	0.4
91.05485	0.9
93.03415	0.6
95.04977	1.1
97.02923	0.6
98.97584	0.6
103.05479	0.6
107.04962	1.8
107.08603	0.4
109.06530	1.0
111.04464	0.9
116.98602	0.4
117.03362	0.4
119.04965	1.0
121.06536	0.5
123.04417	7.9
127.03951	0.7
128.98642	0.3
129.05513	0.5
131.04921	0.7
133.06467	0.4
135.04404	21.0
136.04907	0.3
137.05971	5.7
137.06923	0.4
139.03882	6.4
139.04871	0.4
147.04414	1.6
149.06006	0.4
149.09589	0.7
151.03920	2.4
153.05510	1.2
159.04443	0.9
159.05701	0.3
161.06017	1.1
163.03894	25.8
164.04550	0.7
165.05469	14.5
165.35715	0.3
169.06639	0.3
173.05946	0.5
175.03963	1.0
177.05513	1.5
179.03461	0.7
187.03879	3.8
189.05481	0.7
191.03346	0.3
199.07631	0.3
201.05490	1.2
203.03424	0.4
203.07053	0.4
205.04930	1.8
211.07643	0.7
215.07088	1.3
227.07079	0.5
229.04945	2.1
237.02892	0.7
239.07068	0.9
240.07672	0.5
241.05092	0.5
243.06638	0.8
247.05946	0.4
253.08669	0.5
255.06525	0.7
257.08160	0.5
259.05957	1.5
265.07605	0.6
267.06561	1.1
269.08167	0.6
271.06015	4.4
273.07578	0.5
279.06747	0.4
281.08078	0.7
283.05890	1.4
285.07553	8.3
289.07153	1.4
295.06082	1.7
297.07538	1.7
299.09137	0.5
301.07138	2.5
309.07620	1.2
313.07059	4.0
315.08652	0.8
325.06897	2.7
327.08517	3.6
328.15472	0.6
337.59644	0.6
384.14316	1.6
411.10791	0.9
435.10867	0.8
447.10684	2.5
453.11945	0.8
465.11658	3.9
491.15063	0.3
491.65228	0.7
492.15411	0.4
504.16782	0.5
507.46918	0.3
605.16748	1.0
617.16339	5.8
674.22253	30.5
675.22449	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.4158
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.4
55.01847	0.4
55.05509	3.8
57.03432	4.1
57.07072	34.6
57.75519	0.3
61.02921	12.4
67.05500	8.4
67.05791	0.2
67.05866	0.3
69.03418	1.4
69.06714	0.6
69.07066	6.8
71.08626	29.6
71.62537	0.7
73.02916	4.5
75.04469	2.7
79.05486	1.0
81.03398	1.3
81.07052	14.0
83.04961	0.5
83.08614	10.4
83.09109	0.7
85.02898	15.4
85.10174	16.7
89.06025	0.9
91.03947	15.7
91.05463	0.4
92.05813	0.3
93.07031	1.1
95.08596	21.5
97.02892	6.7
97.06490	0.4
97.10162	5.7
99.04452	1.1
99.08068	0.6
99.11731	1.4
103.07595	0.7
105.07014	0.7
107.08576	0.6
108.65379	0.3
109.02887	0.6
109.10145	10.8
111.11706	1.3
113.13284	0.4
115.03893	0.6
121.10152	0.6
123.11697	6.1
125.13244	1.0
127.03905	5.6
135.11678	0.4
137.13254	2.5
139.14780	0.5
145.04942	8.7
146.38394	0.4
151.14824	1.0
163.05995	15.1
165.16414	0.8
172.72720	0.3
209.44695	0.3
221.22679	1.5
239.23674	21.2
240.23946	0.6
257.24692	3.6
263.48584	0.4
298.27356	0.8
313.27338	100.0
314.27658	2.3
331.28394	53.3
332.28799	0.9
475.32684	0.8
540.69635	0.4
664.72937	0.4
672.30090	2.8
673.29510	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.2
55.01864	0.2
55.05517	0.3
57.03432	1.2
61.02924	0.2
65.03937	0.6
69.03425	0.7
71.01360	0.2
71.04992	8.8
71.62515	0.2
73.02904	0.2
75.04475	0.4
81.03406	0.4
81.07024	0.2
83.04966	0.9
85.02903	10.0
87.04462	0.4
91.05473	3.7
92.05781	0.1
93.47218	0.1
95.04978	0.2
97.02888	0.9
99.04449	0.3
107.04939	0.5
109.02859	0.3
111.04456	0.6
119.04940	12.5
120.05257	0.2
120.32698	0.1
122.03651	0.2
123.04398	0.2
127.03922	0.7
129.05482	2.6
131.04950	0.2
135.04445	0.2
137.05977	1.3
141.74005	0.1
146.08195	0.2
147.04405	100.0
148.04759	1.6
149.05983	0.1
151.04016	0.2
151.07530	0.4
161.05966	0.2
163.03929	0.3
164.09160	0.4
165.05492	0.7
167.07089	0.2
169.04933	0.3
175.07619	0.2
177.05609	0.2
181.05008	0.2
182.04483	1.0
191.03793	0.1
191.07004	0.1
201.05553	0.2
211.07605	0.2
237.07483	0.2
255.08696	0.2
257.08188	0.2
265.08740	0.3
272.06625	0.3
272.56842	0.2
273.09802	0.2
275.09128	1.9
279.10095	0.2
285.11124	0.2
291.08432	0.2
293.10172	4.0
297.11243	0.3
309.09637	5.6
390.10388	0.2
401.12030	0.2
419.13480	0.2
437.14502	0.5
455.15475	2.1
466.03018	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	671.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01601	0.2
51.02385	0.1
53.03941	0.4
55.01869	0.2
56.53921	0.1
57.03428	0.4
58.26402	0.1
65.03932	1.0
67.05505	0.2
68.99796	0.1
69.03426	1.7
71.04992	1.1
73.02924	0.2
76.03151	0.2
77.03932	0.4
81.03419	3.4
85.02906	2.2
89.03443	0.1
89.03889	0.6
90.06084	0.1
91.05476	18.6
91.39165	0.1
92.05824	0.2
93.03402	0.2
95.04979	0.4
97.02885	0.5
99.04455	0.4
103.05445	0.6
105.03382	0.5
107.04954	0.5
108.05753	0.2
109.02872	1.4
111.00798	0.2
117.06991	0.2
118.04182	0.4
119.04938	31.3
120.05250	0.4
121.02850	0.4
121.06528	0.1
122.03646	0.3
127.03901	1.2
129.03381	0.6
129.05487	0.3
131.04898	0.4
132.02081	1.2
133.02838	0.4
135.03499	0.1
135.04416	0.5
136.05222	0.6
137.02342	0.6
137.05957	0.5
145.02872	0.5
145.04875	0.1
146.03561	0.2
146.47656	0.1
147.04402	39.4
148.04836	0.4
149.02345	0.8
149.05968	0.3
151.07510	0.2
153.01831	0.7
157.03940	2.4
162.03133	0.4
163.03966	0.6
164.04753	0.8
165.01842	0.6
165.05415	0.3
167.07088	0.5
173.05998	0.2
175.03897	46.4
176.04283	0.8
177.09175	0.1
179.07007	2.5
181.04935	0.2
191.03326	0.1
191.06898	0.3
192.04185	0.6
193.04890	0.2
195.19125	0.2
201.05460	0.6
207.06517	100.0
208.06812	1.3
225.07611	0.7
229.05009	1.2
247.06015	0.3
250.09627	0.2
257.04352	0.8
263.09052	0.2
265.12259	0.2
275.09155	0.2
285.03900	0.2
291.08832	0.3
293.10104	0.5
303.04977	21.3
304.05258	0.4
309.09766	1.1
337.07043	0.1
351.10727	7.0
369.11798	4.7
452.88284	0.1
455.14841	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	670.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27293	0.3
53.03945	0.7
55.01883	0.3
57.03444	1.4
63.02373	0.4
65.03931	0.7
67.05498	0.6
68.99792	0.8
69.03432	1.6
70.06578	0.5
71.04997	6.1
71.11473	0.9
75.04485	0.5
79.05498	1.9
81.03405	1.0
83.04996	1.3
85.02905	9.0
87.04504	0.4
89.03914	2.5
90.56858	0.3
91.05474	2.3
93.03393	0.8
95.04976	2.3
97.02900	1.9
97.06557	0.8
99.04479	0.5
105.10855	0.4
107.04949	3.0
109.06503	0.5
111.04438	2.9
117.03373	3.8
119.04940	0.8
121.02854	0.7
121.06516	2.5
123.04448	3.8
125.05994	26.0
127.03920	0.9
128.00186	0.4
129.05470	2.1
133.02892	0.6
135.04422	12.4
137.05977	7.0
139.03894	1.5
145.02841	9.8
145.03990	0.5
149.05991	1.3
151.03905	7.6
152.04703	3.9
153.05466	42.9
154.05760	0.7
163.03905	100.0
164.04230	1.4
165.05484	9.6
167.07037	26.5
181.04968	0.8
183.06529	80.1
184.06958	1.3
191.08580	0.4
193.10690	0.4
251.10687	0.7
273.07706	0.5
291.08685	0.8
309.09613	1.7
323.16394	0.4
325.09186	12.0
405.95874	0.4
471.14960	0.4
507.15118	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	668.3075
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57209	0.2
54.24548	0.2
56.93221	0.2
70.09018	1.0
81.07012	0.3
116.39073	0.2
125.53040	0.1
134.21744	0.2
175.01366	0.2
178.68408	0.2
210.18636	0.2
221.10529	0.2
375.15948	0.2
378.18063	0.3
388.16742	0.2
389.17725	1.0
390.17868	0.7
391.19238	0.8
392.20029	0.5
402.17749	0.3
403.18842	1.4
404.19556	1.5
405.20642	2.4
406.21399	0.3
407.22290	2.1
416.19446	0.6
417.16235	0.2
417.20746	1.9
418.16470	0.7
418.21289	2.0
419.22095	1.7
420.22922	1.9
421.24136	0.3
430.20432	0.7
431.22644	1.2
432.17746	3.1
432.23892	1.3
433.18903	3.9
433.23990	2.7
434.23621	4.5
442.20728	0.2
444.22076	0.3
445.23013	0.4
446.19781	2.4
446.24265	1.1
447.20428	5.5
448.21191	1.6
449.19797	0.7
450.20435	0.6
459.21530	0.3
460.21536	1.2
461.22144	2.0
462.22879	29.0
463.21420	3.2
464.21875	0.9
465.22888	0.2
470.19675	0.3
472.19052	0.2
473.23477	0.3
474.23935	1.2
475.23593	0.7
476.22702	0.6
477.22827	1.6
478.23624	1.0
479.24408	3.8
485.21622	0.2
486.19864	0.5
487.20267	0.5
488.24350	0.8
489.24765	0.3
490.22113	1.9
491.24518	1.9
492.19867	0.6
492.26129	1.3
500.24695	1.5
501.22742	4.7
502.22760	1.8
503.23715	0.2
505.26559	0.4
506.20770	2.2
506.27588	0.8
507.27634	0.9
516.23865	2.6
517.24744	6.8
518.24182	0.3
519.23328	0.5
520.23712	0.8
522.24725	0.3
528.23865	0.7
532.27094	1.2
532.54944	0.2
533.25433	6.1
534.24969	2.0
535.24640	0.3
536.24109	0.7
548.26642	5.0
549.27386	11.4
550.26501	0.9
551.26422	1.2
560.26447	0.5
565.28076	13.8
566.28760	2.5
576.26074	8.6
577.26971	1.4
579.24805	0.3
608.28680	7.1
609.28973	0.6
636.28156	10.0
668.30756	100.0
669.31042	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	668.255
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	2.0
69.03413	1.0
69.86155	1.9
71.01357	0.4
71.04993	13.6
73.02882	0.3
74.09720	0.4
75.04478	0.8
76.75037	0.3
77.38248	0.3
78.92096	0.4
79.05460	0.5
79.34905	0.3
81.03395	1.1
83.04978	1.2
84.04508	2.9
85.02907	15.9
86.03238	0.4
87.04463	0.5
89.03921	1.8
91.05470	0.9
95.04964	0.4
97.02872	1.9
98.21471	0.6
99.04449	0.9
100.56415	0.3
102.07054	0.3
105.06973	0.3
107.04977	0.7
111.04457	1.1
115.05424	0.7
117.03380	2.0
117.07030	1.0
119.04951	0.9
120.85780	0.3
123.04434	2.0
125.47551	0.3
127.03907	1.4
129.05478	5.7
135.04411	6.6
136.04689	0.3
137.05960	3.5
139.03903	0.8
143.04930	0.5
145.02850	5.9
145.06493	2.6
147.04393	0.4
147.06494	1.6
149.06059	0.4
150.27977	0.4
151.86331	0.3
160.07568	0.6
161.05969	1.8
163.03906	100.0
163.07454	1.6
164.04286	2.3
164.07141	0.9
165.04285	0.5
165.05547	2.0
178.08638	2.6
179.07039	1.6
179.08627	0.3
180.06570	0.3
180.10202	0.7
181.04953	2.5
187.06081	0.6
188.07086	1.0
188.09142	0.4
189.05505	1.9
190.10771	1.0
196.09679	3.3
197.10017	1.2
198.07613	1.2
198.10182	0.5
204.06567	0.7
206.08138	9.0
224.09219	0.9
246.09734	0.4
255.08580	0.4
263.09167	0.5
267.08658	0.4
273.07556	0.5
291.08676	1.1
307.07928	0.4
309.09711	3.8
325.09186	14.6
326.09570	0.8
350.12488	1.9
368.13406	4.8
369.13846	0.4
435.12842	0.4
453.13663	0.5
461.13766	0.4
471.15067	3.7
496.18564	0.4
504.18515	0.7
514.19263	1.6
522.19727	4.2
639.60541	0.4
668.24292	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	666.3637
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	1.5
56.41450	0.4
57.03426	0.6
57.07074	3.1
65.03943	0.9
67.05504	6.6
69.03457	0.4
69.07069	1.9
69.52150	3.2
71.04971	0.4
79.05492	6.7
81.07055	38.7
83.04985	1.5
91.05068	0.3
91.05479	11.6
93.07041	31.7
95.04971	2.0
95.08604	20.5
95.09244	0.5
97.06552	0.6
97.10048	0.5
98.21454	0.6
98.52830	0.5
105.07016	2.4
106.69793	0.4
107.04967	4.0
107.08592	48.1
108.08944	0.6
109.06531	1.2
109.10154	11.5
119.04942	16.3
121.10117	0.8
123.11703	100.0
124.12019	1.2
130.93716	0.4
133.10141	1.0
135.11687	99.7
136.12021	1.7
137.13249	2.3
143.85480	0.4
147.04401	3.5
149.02347	0.7
151.11176	2.8
153.12741	56.5
154.13097	0.7
163.03931	0.5
167.08578	0.7
169.12270	1.9
177.06963	0.5
194.15433	1.6
195.08073	1.0
205.12277	1.4
212.08372	0.5
213.09103	30.6
214.09425	1.0
233.11685	4.9
237.09113	1.1
251.12755	3.1
265.08566	0.7
279.06512	0.4
293.07846	0.7
311.09109	1.7
329.10263	0.7
463.20828	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	666.3636
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	0.8
55.05513	0.9
57.07079	4.1
67.05508	7.0
68.05798	0.6
69.07082	2.1
70.16914	2.9
71.05006	0.7
79.05494	9.4
81.07056	48.5
82.07371	0.7
83.04979	1.4
91.05471	12.1
93.07044	28.7
95.04966	2.0
95.08604	19.7
95.09237	0.7
98.20784	0.6
105.07034	1.5
107.04978	3.2
107.08591	47.2
108.08960	1.1
109.06525	1.3
109.10159	13.9
119.04935	15.6
119.61757	0.6
121.10098	0.9
123.11707	99.4
124.12038	0.8
125.09719	0.7
133.10138	1.1
135.11690	100.0
136.12016	1.0
137.13254	2.0
145.06537	0.7
147.04384	3.7
151.11151	4.6
153.12744	53.7
154.13039	0.9
167.08534	0.9
169.12186	3.1
194.15428	0.9
195.08055	1.5
205.12119	1.1
213.09099	30.3
214.09364	0.8
233.11723	5.7
237.08958	1.1
251.12653	3.5
292.43091	0.5
311.09012	2.0
463.20859	1.2
643.79700	0.7
667.28473	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	666.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00775	0.7
53.03946	0.7
55.09024	0.6
55.49239	0.6
57.03432	3.6
60.04507	0.8
69.03427	1.4
69.34277	7.1
70.03347	0.6
71.04993	18.9
73.02914	0.9
74.06064	0.8
75.04446	1.2
79.05495	1.1
80.13461	0.6
81.03431	1.4
83.04972	2.4
84.04508	1.9
85.02904	22.4
87.04461	1.2
87.48127	0.6
89.03902	1.9
91.05502	3.0
95.04961	0.8
97.02887	2.9
102.01800	0.6
105.07019	1.2
107.04935	2.1
109.06548	0.9
111.04478	1.1
115.05462	1.2
115.06814	0.7
117.03372	3.5
119.04944	1.0
123.04435	2.6
126.05518	1.1
129.05489	4.5
129.70197	0.6
132.08080	1.9
133.06500	0.9
135.04427	11.4
136.03941	0.9
137.05972	8.7
143.04927	1.0
144.06503	0.8
145.02864	6.2
147.06482	0.9
148.07588	1.5
149.05972	0.9
152.07118	0.7
153.05466	1.8
159.04378	0.8
160.07605	2.2
161.05989	3.3
163.03912	100.0
164.04262	1.8
167.05818	0.6
167.07144	0.7
176.07065	9.6
178.05128	1.1
178.08629	17.7
179.07045	14.7
181.04955	1.9
187.03989	1.4
187.05760	1.0
188.09201	2.5
196.09689	54.5
197.10075	1.2
204.06583	12.4
204.08527	1.2
205.16574	0.7
206.08133	0.9
222.07578	4.3
222.09528	0.6
307.08209	1.1
309.09583	1.2
325.09229	13.2
325.13068	0.5
358.14960	1.1
366.11859	7.0
368.13132	0.8
471.15051	4.9
503.15289	0.8
512.17523	2.6
520.18127	16.0
666.24054	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	662.2805
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.5
55.01865	1.8
55.77573	0.5
57.03432	0.6
65.03942	3.2
67.05489	1.7
69.03410	1.3
69.07062	0.9
70.06582	1.0
70.14226	2.3
71.04981	1.7
73.86594	0.5
75.04469	1.8
78.04719	1.1
79.05497	2.9
81.03406	1.1
81.07053	3.0
85.02903	4.8
89.03894	1.4
89.06010	0.7
91.05483	7.1
93.03405	7.2
93.07043	3.3
95.04971	4.6
95.08585	1.4
97.02912	0.9
97.06517	3.0
103.05457	10.8
105.03355	1.0
105.04510	0.5
105.07020	5.0
106.03453	0.9
106.04170	13.2
107.04957	5.3
109.02854	0.7
109.06540	1.0
109.10156	0.8
110.09734	0.6
111.04442	1.5
115.05476	3.1
117.07045	1.3
118.04146	1.6
119.04907	1.6
119.08530	1.4
121.06499	15.3
121.10128	1.2
122.03625	0.7
123.04397	2.4
124.05184	1.5
125.05999	7.1
127.03866	1.1
129.06973	0.6
130.04123	0.6
131.04929	9.0
131.08571	0.7
132.05704	0.6
133.06493	5.7
134.03592	2.9
135.04413	1.7
135.08038	0.7
137.05943	4.4
138.06775	0.9
138.09166	0.8
139.07536	2.2
144.05701	0.6
145.02837	1.4
145.06494	2.7
146.03590	0.7
147.04422	2.2
147.08060	1.0
148.05194	5.0
149.05978	28.9
150.06604	0.7
151.03880	1.7
151.07550	2.1
152.04674	1.1
153.05444	1.4
153.09097	7.8
158.03619	0.6
159.04337	0.6
159.08115	1.3
160.05214	0.7
161.06003	5.1
163.03886	3.8
163.07529	9.4
165.05455	1.8
166.06253	1.1
167.07039	31.2
171.06458	1.8
173.05978	3.9
175.07544	1.8
176.04655	0.8
177.05467	19.5
177.08958	0.6
178.05986	0.6
179.06952	1.3
180.07835	0.9
181.04961	29.9
181.08548	15.7
182.05327	0.7
187.07526	1.2
189.05415	0.9
190.06358	1.0
191.07021	39.6
192.07619	1.1
193.08621	1.6
195.06537	2.5
201.05428	1.0
203.07094	0.8
205.08606	1.5
207.06471	1.0
207.10072	0.7
209.08080	100.0
210.08432	1.6
217.08553	0.8
219.10150	2.6
223.04288	0.7
233.08055	2.7
235.07578	0.8
235.09622	2.7
245.08052	1.1
252.07710	0.8
263.06528	1.0
263.09128	11.0
264.12399	0.6
267.10031	1.8
293.08084	0.7
297.11288	0.7
325.10675	1.3
339.12115	1.2
339.67874	0.6
357.13626	2.7
367.11566	1.0
369.13177	0.9
385.12863	5.4
387.14673	1.1
399.14368	1.4
417.15482	10.5
570.16180	0.6
577.19531	0.6
596.21179	0.6
604.96179	0.6
633.57312	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.3791
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95925	0.9
53.03941	5.9
55.01864	4.2
55.05512	15.3
57.03436	23.7
57.07075	4.5
59.04994	0.8
61.02925	84.0
65.03934	2.4
67.05505	47.4
69.03428	36.2
69.07068	18.1
69.64399	7.3
71.01351	2.7
71.04999	5.1
71.08626	2.0
73.02914	27.5
75.04481	2.3
77.97070	0.8
79.02095	0.8
79.05489	13.8
81.03419	27.8
81.07056	50.6
83.01340	1.5
83.04976	3.8
83.08189	1.4
83.08624	11.1
85.02905	100.0
85.06535	1.6
85.10181	1.1
86.03243	1.0
87.04470	3.7
91.03955	59.7
91.05464	11.4
93.07042	18.5
95.04961	3.7
95.08607	36.6
97.02892	81.5
97.06528	3.5
97.10181	7.2
98.20772	1.9
99.04451	12.7
99.08066	2.5
101.02383	9.0
103.03944	9.6
105.07029	8.5
107.04981	1.8
107.08606	9.2
109.02886	11.3
109.06503	1.5
109.10157	18.0
111.04446	3.0
111.08076	2.4
111.11706	1.5
113.09692	1.2
114.83957	1.0
115.03942	8.9
117.05485	2.9
117.06994	2.0
119.04992	1.6
119.08582	6.5
121.06477	2.0
121.10138	10.6
122.67613	1.1
123.08067	1.4
123.11722	9.9
127.03913	38.0
129.05498	6.3
131.08591	2.2
133.10133	7.4
135.11656	5.6
137.13245	3.7
139.11166	1.6
145.04965	27.2
145.10091	1.2
147.04440	3.1
147.08069	1.1
147.11700	3.8
149.13330	4.5
151.11194	2.3
151.14832	2.7
155.07025	2.0
159.06522	4.2
161.13269	5.1
163.06035	7.0
163.14844	4.6
165.16345	1.6
166.68040	0.9
171.06519	3.7
175.14798	3.1
177.16394	1.8
183.06538	13.9
185.13248	1.1
187.14891	1.8
189.16376	2.5
193.15865	1.3
201.07596	9.4
217.15799	1.0
219.08702	1.8
245.22583	10.0
261.22171	3.2
263.23703	20.8
264.24185	0.9
275.23743	1.6
287.23819	1.5
291.23071	1.1
293.24899	0.9
293.87851	0.9
305.24756	3.7
317.24725	1.5
319.26306	2.0
329.24823	2.8
335.25757	2.3
337.27374	95.9
338.27609	2.6
346.76080	1.3
346.80093	1.1
347.25797	1.8
353.24847	2.9
365.26971	4.8
371.25806	4.0
379.28461	4.1
389.26987	2.5
391.28323	1.3
407.28024	1.7
421.29428	1.8
433.29492	1.1
445.29617	4.8
463.30502	5.4
481.31763	13.6
499.32468	3.1
649.98956	1.2
661.38550	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	661.2489
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92755	1.2
53.03933	1.8
55.01862	1.8
55.05513	3.0
56.96577	2.1
57.03430	2.1
65.03934	6.3
67.05495	3.5
69.03435	7.6
69.07066	2.3
69.83122	6.5
70.06557	1.5
71.04995	8.0
74.81633	1.2
75.04469	2.7
78.04682	1.4
79.05489	11.3
81.03419	7.6
81.07059	4.1
82.04173	1.5
83.08655	1.4
85.02903	17.8
86.09710	2.0
88.64500	1.2
91.05481	14.5
93.03403	5.4
93.07031	4.8
95.04977	7.4
95.08611	1.8
97.02884	3.4
97.06516	3.1
103.05458	5.2
105.07032	6.0
106.04169	6.0
107.04952	24.3
107.08549	1.4
109.06493	2.6
109.10162	1.8
110.03665	2.9
110.09604	1.3
111.04445	4.2
115.05436	6.2
117.03353	1.9
117.07023	6.3
118.04179	1.6
119.04975	2.4
119.08580	1.5
120.08132	1.6
121.06522	9.4
123.04426	4.5
123.08082	1.4
124.05199	5.2
125.05987	8.1
126.31953	1.1
127.03953	6.6
129.07010	5.9
131.04958	7.9
131.08540	4.2
132.05690	2.7
133.06509	6.2
134.03600	1.8
135.04404	4.1
137.05949	7.7
138.03040	1.4
139.07550	1.5
141.07018	2.3
142.02592	2.8
143.04901	1.4
144.05688	4.1
145.06493	12.5
147.04439	4.2
147.08047	3.0
148.05193	2.7
148.07605	1.5
149.05991	13.7
151.03893	2.3
151.07571	1.6
152.04642	2.7
153.05499	3.9
153.09099	4.7
157.06458	4.4
159.04408	2.2
159.08098	3.9
160.05217	3.1
161.05992	11.5
161.09761	1.4
163.03915	12.1
163.07532	1.9
164.04269	1.5
165.05457	3.6
166.02592	2.0
166.08589	2.0
167.07051	57.5
171.06503	8.2
172.05183	11.0
173.06029	7.7
174.06836	1.3
175.07585	6.4
176.04655	2.0
177.05450	11.6
177.09167	1.8
179.07074	10.8
180.07774	1.8
181.04961	100.0
181.08447	9.7
182.05423	1.4
185.05920	1.7
187.07567	9.9
189.05417	5.5
189.07002	1.5
189.61639	1.3
190.06244	4.7
191.06972	15.1
191.10703	2.4
192.07854	4.5
193.08554	3.2
193.12210	2.2
195.06560	2.9
200.04654	5.5
201.05470	8.1
203.07013	5.0
204.08011	1.4
205.06740	1.4
205.08611	4.8
206.05737	2.4
207.06467	2.8
207.10139	2.6
209.08087	43.6
210.08839	2.2
211.13326	1.6
215.06972	1.9
217.08623	5.6
218.05688	10.7
218.09258	1.6
219.06361	6.1
219.08293	2.5
219.10193	4.3
220.05099	1.5
221.06108	2.5
221.08119	7.7
231.06543	4.1
233.08066	75.7
234.06700	2.0
235.07527	5.2
235.09596	6.2
236.08372	1.8
245.08008	5.3
247.07471	5.1
248.08371	3.0
249.05475	3.2
250.06200	4.7
251.06932	2.5
251.09264	4.2
253.08408	1.4
258.05222	1.3
261.07578	2.1
262.06329	1.9
263.06924	3.1
263.09259	19.2
264.07797	5.5
265.04974	2.3
265.08719	4.4
266.05756	1.9
267.09030	2.7
269.10587	1.6
276.08105	1.6
277.05136	2.6
277.08588	3.4
278.05704	4.8
278.09119	1.4
279.06467	3.4
279.09033	2.2
280.07343	2.9
281.07867	1.5
281.10483	2.3
282.09003	1.6
285.10147	4.4
291.06476	2.2
292.07306	4.2
293.07935	7.3
294.08810	1.7
295.06049	2.9
295.09744	2.2
297.07410	1.6
297.11200	1.5
299.09055	1.9
301.06888	1.5
305.07959	2.7
306.05222	1.6
306.08844	1.7
307.06186	2.1
307.09616	4.0
309.07629	8.1
309.10913	2.2
310.08362	2.0
311.05734	1.7
311.09085	2.1
313.07031	1.5
317.10117	1.8
320.06860	2.4
321.07532	2.9
322.08319	2.5
323.05481	2.5
323.09109	4.3
324.09756	2.3
325.10791	4.5
327.12381	1.9
335.09103	2.8
337.06955	1.9
337.10806	5.0
338.07889	7.5
338.11517	2.0
339.08585	7.0
339.12201	3.0
340.09024	1.7
342.11063	2.1
345.09549	2.3
352.09692	1.4
353.10184	40.2
354.10947	7.7
355.11917	4.7
357.13409	3.0
358.10464	3.4
365.10101	2.0
367.11755	5.2
369.13574	2.2
370.10519	6.7
371.15112	2.1
373.12958	3.7
381.13028	1.4
383.11136	8.2
384.12051	2.5
385.12827	71.5
386.13086	2.5
387.14417	9.7
389.12949	1.4
397.12869	5.0
399.14496	11.2
401.12543	2.0
403.14130	3.0
404.14383	1.5
405.15369	1.7
411.14365	20.4
415.13901	15.6
417.15427	41.2
423.14334	3.5
433.14639	2.4
435.16595	1.9
441.15372	5.2
446.16263	1.5
546.68561	4.3
547.18915	1.9
575.19177	3.1
595.21588	16.1
607.21893	1.5
611.24939	2.2
643.26312	1.4
660.75238	4.0
661.25861	1.5
661.38409	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	659.3631
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24987	0.8
53.03946	4.2
55.01862	4.4
55.05509	9.6
57.03436	21.0
57.07065	1.1
59.04995	1.0
61.02926	79.7
65.03936	1.3
67.05504	36.5
69.03430	33.6
69.03810	1.8
69.07066	9.5
70.85336	2.6
71.01348	3.5
71.04984	5.4
73.02916	26.8
75.04482	2.1
79.05059	1.5
79.05489	21.8
81.03416	21.3
81.03780	0.5
81.07053	32.2
83.04984	4.0
83.08616	4.7
85.02903	100.0
87.04449	4.1
91.03954	64.4
91.05475	14.2
93.07040	27.2
93.07626	1.4
95.04958	4.2
95.08604	28.2
97.02888	76.5
97.06527	2.0
97.10195	1.5
99.04449	13.7
101.02386	8.4
103.03955	8.2
104.22626	0.9
105.07023	9.6
107.08589	15.8
109.02879	11.9
109.06512	2.4
109.10149	14.6
110.46757	0.8
111.04430	3.7
111.08123	1.2
115.03934	7.1
117.05482	2.7
117.07000	5.0
119.08581	9.1
121.06532	1.0
121.10146	13.1
123.08082	1.8
123.11700	6.6
125.09664	1.0
127.03913	37.8
129.05473	5.9
129.07013	2.1
131.08549	8.6
133.10123	9.0
135.11678	10.1
137.09576	1.4
137.13231	1.4
139.03941	1.2
139.11107	1.1
141.05525	1.0
143.08531	1.9
145.04955	25.8
145.06227	1.2
145.10135	5.7
147.06587	0.9
147.11662	6.4
149.09622	1.3
149.13271	5.7
151.11183	1.6
151.14810	0.9
154.13612	0.8
154.42384	0.8
155.08507	0.9
157.10124	1.4
159.06526	2.5
159.11685	7.3
161.13220	5.5
163.03888	1.4
163.06012	11.0
163.11205	1.5
163.14821	4.4
169.04893	1.0
169.28145	0.8
171.06575	1.7
171.07964	1.2
171.11737	1.6
173.13254	6.7
175.14781	2.6
177.16374	2.1
183.06538	6.8
183.11705	1.1
185.13292	1.4
187.14783	3.6
197.13319	1.3
199.11292	0.8
201.07550	5.4
201.16389	1.3
213.12906	1.0
243.21056	5.7
247.16800	1.1
259.20544	2.0
261.22131	18.2
271.20428	1.0
273.22296	1.5
277.21722	1.7
279.23074	1.4
285.22253	1.0
291.23102	1.0
303.23239	3.3
315.23224	1.6
317.24777	1.8
327.23224	1.3
333.24438	1.9
335.25800	73.9
341.24820	1.7
351.22968	1.6
351.62219	0.9
363.25140	3.1
369.24130	2.8
377.26907	2.4
387.25342	1.8
389.26834	1.0
405.26443	1.2
443.28030	5.3
461.28751	3.2
479.29999	12.1
497.31277	3.2
550.06378	0.9
659.36127	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	658.3279
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64719	0.3
53.03946	0.8
55.01866	1.4
57.03438	3.0
61.02922	7.8
67.05495	0.4
67.28982	0.3
69.03429	12.1
69.52205	1.3
69.52631	0.7
71.04997	2.2
73.02913	3.2
73.15458	0.2
79.05489	1.7
81.03423	5.2
81.07056	31.4
82.07397	0.4
83.01337	0.4
85.02903	100.0
86.03250	0.7
87.04470	2.3
91.03952	6.4
91.05485	0.4
95.08598	2.4
97.02889	21.7
98.03271	0.3
99.04454	3.3
101.02376	0.5
103.03968	0.8
107.04994	0.4
109.02879	7.4
111.04421	0.3
115.03947	1.3
119.04926	0.4
123.46671	0.3
127.03915	29.4
128.04250	0.3
135.11674	0.3
137.05962	1.2
137.13245	9.2
138.13600	0.4
141.59012	0.3
144.17303	0.3
145.04956	67.0
146.05304	0.9
147.04411	2.2
151.03914	0.3
161.05963	0.4
163.06010	39.7
164.06332	0.7
167.07024	1.5
177.05415	0.3
181.07092	1.0
204.08652	1.1
211.09566	0.5
247.08244	0.3
249.09358	0.3
253.06999	0.5
271.08112	1.2
289.09164	3.9
317.19189	0.3
325.11295	25.9
326.11566	0.7
356.80771	0.3
409.46567	0.3
474.01804	0.3
502.43280	0.3
627.23822	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	658.3578
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79519	0.4
50.88305	0.4
54.62016	0.4
55.05499	0.4
56.05064	0.5
57.07077	6.1
58.06595	1.6
65.03949	0.5
66.69014	0.4
67.05504	0.9
68.96061	0.4
70.06592	16.0
71.08638	2.5
71.60682	0.5
73.96687	0.4
81.07062	1.3
84.08107	0.4
85.10202	1.7
86.09718	1.0
88.07629	18.0
93.07035	0.7
95.08592	0.7
102.09181	13.5
104.10749	0.9
105.03401	0.7
106.53897	0.5
107.08597	0.5
117.00337	0.5
121.10134	0.5
131.04895	0.6
133.02837	0.4
133.06493	0.5
135.11714	0.7
139.03973	0.6
145.61899	0.5
147.04408	1.6
149.02339	31.8
150.02719	0.5
151.72469	0.4
175.03880	0.9
177.05499	1.4
184.07376	1.5
193.04958	38.3
212.23723	1.0
219.06639	0.9
225.05545	0.7
237.07579	10.4
256.26346	40.6
257.26663	0.6
269.04495	1.6
278.63962	1.1
297.04025	2.1
300.29044	0.7
313.07053	2.3
341.06564	8.4
359.07617	6.3
385.09180	18.1
388.44678	0.5
400.16745	0.5
429.11832	24.0
430.12097	0.6
555.18921	1.3
622.01587	0.5
640.34503	1.1
658.35834	100.0
659.36115	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	655.3019
Annotation	Fastrine
Peak:m/z	Relative Intensity
55.05511	1.9
57.07069	1.7
63.54990	1.0
81.07068	1.5
83.04978	4.5
115.72368	1.0
119.08570	1.2
145.73390	1.1
146.20847	1.2
152.52179	1.0
175.01578	2.7
178.91969	1.1
181.02631	3.3
230.38766	1.3
248.83667	1.0
311.20807	1.2
313.11963	2.5
381.50131	1.2
504.49203	1.1
599.25476	5.0
638.26166	1.2
655.30316	100.0
656.30878	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	655.3236
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07062	0.6
59.69043	0.3
67.05502	1.0
69.07059	0.4
71.12051	0.7
75.71963	0.3
79.05486	1.5
81.07052	10.3
81.07520	0.6
85.02912	0.4
91.05505	0.3
93.07049	0.4
95.08600	2.5
104.72843	0.3
105.07042	0.5
107.08595	0.4
109.10129	0.5
119.13568	0.3
122.64243	0.3
123.11724	0.9
133.10202	0.5
137.13214	0.7
191.10464	1.2
209.11363	1.3
210.33232	0.3
244.59526	0.3
301.74326	0.3
307.11902	0.4
335.58496	0.3
351.08380	4.1
355.15131	12.3
433.20810	0.4
434.21268	0.5
487.21390	0.4
503.20401	0.7
519.19897	22.3
521.25604	0.4
549.25433	0.9
556.71722	0.3
577.24695	0.6
595.26160	0.6
598.82953	0.3
655.32495	100.0
656.33734	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3239
Annotation	Unknow
Peak:m/z	Relative Intensity
59.66572	0.1
60.04510	0.4
67.05505	1.0
69.07066	0.4
69.37486	1.4
73.18954	0.1
79.05488	1.2
81.07053	9.0
82.93347	0.1
91.05489	0.3
93.07022	0.4
95.04955	0.2
95.08602	1.9
105.07030	1.4
107.08591	0.9
109.06548	0.2
109.10183	0.4
118.21235	0.2
122.81151	0.1
123.11717	0.6
133.10126	1.3
134.16196	0.2
135.11710	0.2
137.13243	0.8
138.99928	0.1
186.50838	0.1
187.03658	0.5
191.10399	2.2
192.13872	0.9
209.11519	1.1
250.99747	0.1
333.07373	0.2
339.15454	0.2
347.39209	0.2
351.08371	8.4
355.15149	7.7
356.15668	0.2
367.07928	0.6
392.11075	0.5
396.18073	0.3
443.66135	0.2
487.20932	4.8
488.21051	0.2
501.18765	0.2
503.20197	0.7
505.21423	0.2
519.19910	16.4
520.20313	0.5
528.23566	0.5
655.32343	100.0
656.32782	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	658.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37856	0.1
53.03938	0.2
57.03426	0.4
63.02372	0.2
69.03078	0.1
69.03429	1.4
70.06580	0.1
71.01347	0.1
71.04981	0.3
71.26128	0.2
79.05473	0.3
81.03414	0.7
85.02901	1.5
87.04469	0.1
89.03905	1.6
91.05479	0.2
97.02882	3.9
99.04436	0.3
101.02345	0.1
107.04950	0.8
109.02854	0.2
117.03374	2.7
118.37600	0.1
127.03896	0.4
135.04408	8.3
137.05986	0.4
140.78294	0.1
145.02835	7.9
147.04369	0.1
161.06010	0.1
163.03891	100.0
164.04224	0.9
165.05534	0.1
179.06947	0.1
181.04939	1.3
186.05446	0.2
210.37840	0.1
221.08018	0.1
227.34830	0.1
263.09073	0.1
273.03778	0.1
296.18079	0.1
307.08081	0.7
317.10303	0.1
325.09155	21.4
326.09610	0.2
461.14371	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	658.2506
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46440	0.9
52.95796	1.0
55.05514	1.6
55.10342	1.0
56.73818	1.1
57.07073	2.3
67.05508	5.3
69.07069	2.1
71.08636	1.6
71.60038	2.0
79.05494	3.0
81.07060	8.9
85.10195	1.6
88.68549	1.2
89.06025	4.7
91.05498	3.3
93.07045	3.7
95.04967	1.0
95.08597	6.3
96.75476	1.1
105.07017	1.7
107.08636	1.9
109.10150	2.0
119.08575	1.2
121.10146	1.7
133.08606	2.3
170.33266	1.2
177.11241	2.6
263.85431	1.3
291.19720	1.1
328.48312	1.0
372.00085	1.1
412.15228	1.3
423.13620	1.8
424.14352	2.3
425.15726	1.3
426.16895	2.4
427.17795	2.6
438.15906	2.6
439.16583	6.3
440.18680	2.1
441.14435	1.6
441.19650	2.3
442.20224	2.6
451.17407	1.2
452.17163	3.1
453.18610	2.9
454.14853	1.6
455.15445	5.8
455.21643	2.1
458.19846	1.4
466.17963	1.8
467.18170	1.8
468.16943	4.3
469.18469	6.0
471.20547	2.4
480.20166	3.0
482.19415	2.1
483.19937	5.1
484.19977	3.3
494.18079	5.4
495.19443	1.6
496.20667	1.8
497.17142	2.5
498.18301	3.3
500.20129	1.4
510.18835	2.3
511.18448	1.9
512.19409	7.3
513.19220	1.2
517.38898	17.1
524.15857	1.8
525.20001	1.4
544.84778	1.3
554.20380	1.9
555.23486	3.6
568.22632	3.3
571.24359	3.2
573.23877	1.3
582.23309	2.1
583.21899	1.9
598.23029	5.2
599.23694	3.8
614.25873	2.6
615.24481	2.0
626.22357	2.0
628.25024	6.8
640.40039	3.3
641.24951	1.4
658.25043	100.0
659.25018	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	654.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.4
55.01857	0.3
55.05502	0.4
57.03439	2.1
59.05000	0.3
61.02911	0.2
63.02361	0.4
69.03429	0.9
69.24152	0.2
70.87318	0.3
70.87672	0.4
71.01343	0.4
71.04991	14.7
72.04385	0.2
72.05341	0.2
73.02911	0.4
75.04459	0.6
79.05470	0.6
80.05042	0.2
81.03397	0.7
83.04977	1.3
85.02903	17.0
87.04453	0.5
89.03908	3.1
91.05469	0.3
95.04935	0.2
97.02911	0.9
99.04459	0.3
107.04946	1.2
108.04442	0.3
109.02889	0.3
111.04440	1.0
117.03383	4.0
119.04925	0.2
121.05262	1.0
123.04401	0.5
125.06003	0.2
126.05518	0.3
127.03906	0.5
127.17245	0.2
129.05472	4.5
135.04411	11.0
135.29558	0.2
136.04756	0.2
137.05980	0.3
138.05511	3.5
139.03813	0.2
139.06311	0.2
145.02840	9.3
147.04440	0.8
147.06505	1.3
149.04697	0.3
151.03880	0.2
153.05464	6.5
158.25533	0.2
163.03897	100.0
164.04242	1.4
165.05556	0.3
166.05003	8.1
167.05759	1.3
167.07053	0.7
168.07411	0.2
168.58130	0.2
169.05011	0.3
177.05481	0.2
181.04939	1.0
183.06570	0.4
184.06024	9.4
184.07362	4.5
186.05539	0.3
191.08575	0.2
218.67903	0.2
219.08040	0.4
251.10597	0.2
268.13385	0.3
273.07446	0.2
291.08710	1.3
307.08139	0.2
309.09708	2.5
325.09180	6.7
330.11755	0.2
435.13431	0.2
471.15009	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	654.292
Annotation	Unknow
Peak:m/z	Relative Intensity
55.70799	0.5
61.39922	0.6
69.70815	3.7
75.04487	1.2
80.87683	0.6
81.07043	0.9
83.04961	0.6
84.19602	0.6
98.20792	0.8
109.46893	0.5
113.43153	0.6
137.13240	0.6
142.52296	0.5
181.02625	0.5
197.89310	0.5
219.09056	0.6
390.18042	0.9
403.19809	0.9
404.19604	1.6
405.20734	2.2
406.21216	0.8
407.22546	2.1
416.19550	0.8
417.20398	1.0
418.21335	1.3
419.22003	1.2
420.22858	1.7
421.24023	0.7
431.22095	0.6
432.17950	2.8
433.18817	3.5
433.23984	2.1
434.23538	2.3
446.19998	1.8
447.20584	4.8
448.21515	5.6
449.19910	0.9
451.21396	1.1
458.23300	0.9
460.21628	1.2
461.21753	0.9
462.22922	27.1
463.22412	3.8
464.22299	0.8
465.23010	2.5
474.23401	0.7
475.24661	0.9
477.23096	2.0
478.23813	1.3
479.24390	4.3
490.22675	2.8
491.23853	1.9
492.25378	2.4
501.22800	1.7
504.24142	0.8
506.21732	3.2
517.24677	3.5
518.25629	2.6
519.23755	4.6
520.23499	1.7
534.25232	1.5
535.25757	11.7
536.24951	0.7
550.28442	0.7
551.26587	10.8
552.27338	1.5
553.28137	4.4
562.24347	4.7
563.25128	1.5
565.22803	0.8
594.27063	8.7
595.27692	0.9
622.26447	8.4
654.29242	100.0
655.29980	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	650.3686
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28709	0.2
53.03946	0.5
55.05494	0.3
57.07075	1.6
67.05502	3.4
69.07069	0.8
71.47573	0.4
79.05492	4.4
81.07054	100.0
82.07389	0.4
82.57500	0.2
91.05469	0.7
93.07037	1.1
95.04960	0.2
95.08603	10.5
99.00827	0.3
107.08588	1.2
109.10162	0.9
119.04946	1.6
121.10188	0.3
123.11703	23.8
135.11676	1.7
137.13249	65.2
138.13596	0.5
147.04428	0.8
153.12709	0.5
163.15921	0.2
169.12193	1.7
189.34445	0.2
197.69279	0.2
201.21786	0.2
213.07208	0.4
213.09109	4.3
315.15799	0.4
329.10132	0.3
597.31671	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	650.3686
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.4
55.05511	0.5
57.07078	1.5
65.03945	0.3
66.00332	0.2
67.05500	3.4
69.07059	1.2
69.39213	1.0
69.39631	0.5
71.08624	0.3
79.05488	4.6
81.07052	100.0
82.07391	0.5
91.05460	1.0
93.07033	1.1
95.04971	0.4
95.08601	10.0
95.42312	0.1
97.06521	0.5
98.20774	0.3
99.00851	0.2
105.07025	0.3
107.08583	1.3
109.10161	1.0
119.04935	1.4
121.10136	0.2
123.11702	17.3
124.12040	0.2
133.10115	0.4
135.11671	1.6
136.11987	0.2
137.13246	65.9
138.13588	0.6
147.04385	0.7
151.11160	0.8
153.12735	0.2
169.12224	1.9
213.09067	3.5
219.49988	0.2
329.10013	0.3
345.09750	0.2
403.24789	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	650.3687
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.5
54.28706	0.2
54.84982	0.2
55.05507	0.5
57.07071	3.3
64.22707	0.2
65.03941	0.3
67.05499	4.7
69.07047	1.0
71.05552	0.6
79.05486	4.3
79.05948	0.3
79.57200	0.2
81.07053	75.0
82.07404	0.6
83.04971	0.2
91.05471	1.1
93.07034	1.3
95.04990	0.3
95.08602	9.6
105.07034	0.3
107.04971	0.3
107.08590	2.2
109.10168	1.7
119.04926	1.7
121.10158	0.9
122.10384	0.2
123.11702	100.0
124.12053	0.8
133.10091	0.9
135.11682	2.4
137.13251	33.2
138.13574	0.4
147.04434	1.6
151.11183	2.1
153.12740	0.5
167.10693	0.3
169.12238	0.3
169.53654	0.3
173.05841	0.2
174.39325	0.2
175.26410	0.3
213.09076	2.7
249.11258	0.3
284.65131	0.3
289.58792	0.2
312.93057	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	650.3686
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.8
55.05505	0.6
56.96564	0.3
57.07074	2.6
59.05009	0.3
60.21576	0.3
65.03950	0.5
66.37623	0.2
67.05508	6.4
69.03461	0.3
69.07069	1.6
79.05494	7.3
81.07058	100.0
82.07396	1.6
83.04967	0.6
91.05474	3.9
92.05814	0.3
93.07044	7.4
95.04963	1.4
95.08609	13.1
95.65005	0.2
99.00788	0.3
105.07022	1.3
107.04962	1.2
107.08597	16.3
108.08994	0.3
109.06535	0.7
109.10146	5.2
110.10476	0.4
119.04952	5.5
121.10155	0.7
123.08105	2.9
123.11708	61.0
124.12040	0.7
125.09643	0.3
125.17635	0.2
133.10094	1.6
135.11696	12.5
136.12006	0.3
137.13257	43.9
138.13582	0.6
147.04413	5.8
148.04764	0.5
151.11177	12.5
152.11623	0.4
153.12753	4.7
154.13153	0.3
167.08504	0.3
167.10648	0.6
168.11028	0.3
169.12234	3.6
195.08005	0.4
209.09500	0.3
213.09113	9.9
214.47339	0.3
248.93355	0.3
255.01761	0.7
273.02838	0.8
284.96188	0.3
299.16159	0.5
311.09122	0.9
315.15744	0.4
380.48801	0.3
463.21060	0.7
499.64792	0.3
501.18204	0.4
615.79279	0.3
650.26324	0.4
651.29651	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.2487
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02401	0.5
53.03960	0.7
54.01222	0.5
55.01871	1.0
55.05518	0.8
57.03435	8.0
61.02913	0.6
65.03936	0.8
69.03421	1.8
71.01359	0.9
71.04990	47.6
71.08533	1.1
73.02918	1.4
75.04482	2.7
79.05494	1.3
81.03423	0.7
81.07064	0.8
83.04970	3.0
85.02902	60.5
87.04472	2.0
91.05489	4.3
94.04159	2.2
95.04959	0.7
97.02906	1.1
99.04462	0.8
103.03976	0.4
103.05456	4.6
105.07044	3.4
106.59695	0.4
107.04935	2.4
109.06532	2.5
111.04413	2.2
115.05447	3.4
117.03307	0.4
117.07027	1.6
118.04184	0.5
119.04956	1.0
119.08592	3.7
121.06538	0.8
122.03650	6.6
127.03906	1.3
128.06198	3.0
129.05472	13.6
129.06921	2.3
131.04918	7.4
132.05710	2.9
133.06487	2.3
134.68184	0.3
135.04399	0.9
137.05972	100.0
138.06303	0.6
141.06998	1.4
142.16963	0.4
143.04919	0.6
145.04932	0.7
145.06471	1.3
146.03587	1.3
147.04425	1.3
147.06561	2.2
147.08043	5.2
149.05966	1.7
151.07539	2.1
156.05695	0.7
157.06506	1.0
159.08067	1.4
160.05148	2.4
161.05981	12.9
162.06908	0.5
163.03871	3.7
163.07536	19.7
167.07030	0.9
168.05693	0.5
169.06502	1.1
171.08060	1.5
174.06747	0.6
175.07545	61.6
176.07863	0.8
177.09116	0.9
179.07011	1.2
181.06439	0.5
184.05208	1.6
185.05865	0.7
186.06816	0.4
187.07535	5.7
189.07181	0.4
189.09103	1.1
190.07748	1.1
191.08519	3.2
198.57893	0.3
199.07529	17.8
200.08081	0.4
201.09038	2.5
202.07780	4.0
203.06721	0.6
203.08553	7.9
204.09229	0.9
205.06487	0.8
205.08409	0.5
217.08585	2.4
218.07295	1.0
219.08057	5.6
220.08893	2.8
221.09590	0.4
227.06841	0.4
229.08548	1.0
230.07263	0.9
231.08063	10.7
232.08734	1.9
235.07585	0.7
235.11130	1.1
236.08284	0.9
237.09132	0.8
241.08429	0.6
245.09608	0.7
246.06647	0.7
247.07585	3.1
248.08321	4.5
249.09056	1.1
251.10640	6.4
259.07544	6.8
260.08286	3.5
261.09119	1.3
263.07495	0.5
263.10684	5.9
264.07950	0.7
265.08612	1.2
275.07037	0.8
275.10571	0.4
276.07849	3.0
277.08591	4.1
279.10129	5.0
280.11105	0.5
281.08160	0.5
281.11444	0.4
289.08603	1.0
290.09427	0.6
291.10144	15.6
292.10889	5.0
293.08075	2.0
293.11630	1.1
295.10065	0.6
295.12930	1.9
296.10129	0.5
303.09912	0.7
305.11636	0.7
307.09430	0.4
308.10394	2.5
309.11197	1.1
311.12787	18.9
321.13638	0.7
323.12769	39.4
324.12750	0.5
325.14343	6.9
333.11151	0.5
335.12701	1.5
337.14206	1.2
341.13959	2.2
347.12497	0.7
349.14215	0.5
353.13797	1.8
365.13712	1.9
377.13571	0.5
379.15048	0.5
383.14313	0.4
403.15405	0.4
421.16418	1.5
433.15656	0.4
439.17477	2.8
451.17480	0.8
457.18231	1.2
469.18472	0.5
580.56360	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	646.3367
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17859	0.2
53.03944	0.6
55.05512	0.5
57.07082	1.1
65.03938	0.5
66.04752	0.3
67.05164	0.3
67.05503	3.9
68.72714	0.2
68.81582	0.2
69.07062	1.1
70.71150	0.7
71.08622	0.4
74.00492	0.2
79.05489	6.4
81.07052	100.0
81.19588	0.2
82.07390	0.4
91.05482	0.6
93.07059	0.7
95.04964	0.4
95.08601	14.9
101.01865	0.2
107.08562	0.5
109.10143	0.7
119.04958	0.2
121.02835	0.3
135.04391	0.3
137.13248	36.5
138.13586	0.3
140.56618	0.2
146.05939	0.2
147.04414	0.3
156.17436	0.2
159.09822	0.2
162.05466	1.3
172.03954	0.3
175.06285	0.2
190.04955	1.9
200.03520	0.3
202.05038	0.3
218.04495	5.1
219.02879	0.6
219.05252	3.4
236.05467	2.8
244.02501	0.2
248.07021	1.2
250.08722	0.2
263.04205	0.2
267.08887	1.0
271.55917	0.2
276.06607	0.3
280.04477	1.1
294.07678	1.0
295.08438	0.4
311.14136	0.2
312.08234	0.3
338.06299	0.3
339.07135	0.4
354.16861	1.0
355.17740	1.1
356.07516	1.9
357.08673	0.9
374.08673	2.5
416.17148	0.2
475.19556	0.6
492.19720	0.6
493.20529	0.7
510.21436	1.4
520.36053	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.1942
Annotation	Pyranoamentoflavone 7,4',4'''-Trimethyl ether
Peak:m/z	Relative Intensity
52.22446	0.2
52.52379	0.2
71.04988	0.6
71.62427	0.4
85.02901	0.7
91.05479	0.4
93.37381	0.2
94.52985	0.2
94.94993	0.2
103.11727	0.2
103.25248	0.2
115.18596	0.2
135.04405	0.2
135.26277	0.2
137.06001	0.7
163.03889	1.2
164.04243	0.2
167.07092	0.5
182.72694	0.2
193.81047	0.2
209.08183	0.6
219.07922	0.2
321.09567	0.9
467.15475	0.6
501.13620	2.7
647.19427	100.0
648.19495	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	648.3534
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17897	0.3
53.03948	0.8
54.13183	0.4
55.05506	1.2
55.97932	0.3
57.07083	1.9
59.05003	1.1
59.59278	0.4
64.75834	0.4
67.05509	4.0
69.03428	2.5
69.07064	2.0
69.27108	4.5
69.81635	0.5
71.04990	0.5
71.08619	0.4
79.05492	7.4
79.65166	0.4
81.03420	0.4
81.07055	100.0
82.07383	0.8
83.04974	3.6
83.08611	0.7
83.68049	0.3
91.05482	5.4
93.07039	8.9
95.04963	1.1
95.08606	16.3
97.06521	5.3
97.10204	0.7
98.21427	1.1
99.00807	0.6
105.07034	3.1
107.04934	1.9
107.08592	27.0
109.06510	4.4
109.10152	4.6
119.04965	3.2
119.08552	0.6
121.06487	0.6
121.10138	11.8
121.16476	0.4
121.56059	0.3
123.08070	4.4
123.11706	4.6
125.05985	1.7
125.09624	41.9
131.08562	1.7
133.10126	1.5
135.11685	11.0
137.13254	46.4
138.13574	0.8
139.11174	26.0
147.04387	0.9
149.08414	0.6
149.09608	13.4
151.09947	0.9
151.11183	16.1
153.12726	4.9
167.10674	67.6
168.11064	0.8
208.13251	0.7
213.09116	5.3
226.08849	0.5
237.09085	0.6
249.11296	1.1
265.08289	0.6
265.10733	4.8
281.08218	0.4
311.09158	0.6
350.18283	0.5
401.23114	0.7
417.49307	0.4
423.34787	0.4
461.19171	0.6
477.19104	0.9
495.19928	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.2913
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	2.3
62.78117	2.3
65.03933	3.4
67.05504	7.9
70.21835	2.2
71.04993	6.1
71.60892	4.4
79.05495	4.8
80.05006	2.2
81.07039	5.7
85.02905	8.2
90.35428	2.4
91.05472	8.7
93.07038	11.4
94.06578	7.9
95.04974	3.1
95.07397	5.2
95.08616	3.7
96.08138	10.9
97.02927	3.7
97.06580	3.0
103.05460	2.9
105.07011	4.7
106.06525	4.9
107.04974	4.3
107.08618	5.5
108.08079	15.1
109.10154	5.4
110.09683	19.2
120.04417	4.2
120.08103	15.4
121.06500	3.5
122.06038	7.0
123.04404	3.1
124.07580	8.9
130.72885	2.5
131.08519	2.8
134.06012	4.5
134.09712	3.1
136.07565	35.1
137.05972	3.4
138.09138	27.5
144.04469	4.8
145.06262	2.4
146.06000	8.6
147.04436	3.7
148.07567	17.9
150.09184	6.9
152.07045	23.0
163.03912	7.9
164.07076	11.1
166.08650	43.3
167.07045	41.1
168.07320	6.1
172.03918	21.9
181.04968	8.6
182.05164	3.2
182.08223	2.5
189.26907	2.7
190.04988	13.4
192.07291	2.3
197.10841	2.6
202.92694	2.5
204.06543	24.9
210.11510	4.2
211.12314	8.5
223.12352	9.1
225.10307	6.7
226.11017	7.4
227.11620	3.7
229.13261	2.7
235.08737	3.2
235.12318	3.2
237.10204	15.5
238.10970	14.8
239.11726	14.5
249.10260	6.8
250.11047	7.6
251.11752	20.4
253.09694	4.6
253.13416	5.2
255.11279	6.0
256.12024	7.2
262.10889	5.2
263.11679	17.1
264.08929	7.1
264.12698	4.6
265.09756	9.2
265.13361	5.0
266.10532	7.8
267.11234	23.1
268.11816	4.7
269.12830	9.2
271.14423	8.6
277.13367	2.7
278.10580	6.4
279.11288	36.6
280.11966	7.8
281.12808	10.9
283.10809	7.1
284.11462	17.4
285.12347	48.8
289.15405	3.5
291.11194	12.7
292.12076	5.1
293.12820	11.2
295.10934	2.6
295.14359	4.1
296.11633	8.7
297.12329	58.5
298.13034	4.3
299.13937	7.6
309.12360	18.6
310.13144	8.4
311.10233	9.2
311.13660	5.0
313.11749	2.6
319.10733	10.5
321.12375	18.5
323.10355	12.3
325.11765	22.0
326.12466	3.6
327.13339	15.9
328.14633	2.6
337.11777	51.9
338.12302	5.4
339.13239	3.3
343.13095	3.9
357.14487	8.1
369.14609	2.9
385.14297	2.6
392.19308	3.2
402.18060	7.1
404.19830	5.8
406.17471	3.0
417.15509	7.3
418.17215	4.3
422.20886	4.3
430.17496	15.7
431.18085	3.9
432.19138	14.1
436.18735	2.6
442.17581	2.7
446.20743	6.9
448.18600	49.0
449.19406	33.7
450.20218	30.7
460.18646	26.6
462.20166	5.4
472.18558	4.0
474.20065	7.9
476.18149	14.7
477.18750	13.9
478.19571	16.5
480.21387	4.0
490.19696	51.8
491.20297	12.1
492.21271	21.0
522.22339	27.6
523.23169	11.0
567.25275	3.6
595.25293	15.6
613.26532	100.0
614.26904	3.6
645.27313	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	645.2539
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49495	0.2
53.03934	0.3
55.01863	0.3
56.96555	0.3
64.50344	0.2
65.03935	0.7
67.05498	0.6
69.03412	0.3
69.07038	0.4
71.04976	0.8
78.04702	1.3
79.05477	1.8
81.03426	0.5
81.07054	1.2
82.04185	0.4
83.04999	0.3
85.02889	1.4
91.05492	1.2
93.03394	0.3
93.07030	0.7
95.04963	1.0
95.08598	0.4
103.05430	0.8
105.07036	1.4
106.04168	0.9
107.04954	3.3
111.04415	0.4
115.05489	0.6
117.06995	0.5
119.04927	0.6
121.06490	1.0
123.04433	4.0
124.05241	1.7
125.05992	0.8
127.03902	0.6
129.07033	0.4
131.04884	0.5
131.08531	0.3
131.56660	0.2
133.06473	0.8
135.04420	0.5
137.05980	0.8
144.05676	0.5
145.06441	1.2
147.04388	0.8
147.08032	0.3
149.05977	1.4
151.03926	0.7
152.04657	1.7
157.06453	0.3
159.08012	0.4
161.05994	1.3
163.03867	0.8
167.07034	100.0
168.04095	0.3
168.07425	1.3
171.06526	0.7
172.05229	0.9
173.05974	1.4
175.07565	0.7
179.07040	0.6
181.04959	8.1
181.08575	1.3
187.07535	0.8
189.05418	0.5
191.07072	0.6
193.08638	3.7
200.04669	0.7
201.05487	0.7
205.08601	1.1
209.08041	0.7
211.09628	3.6
216.07526	0.8
217.08575	0.4
218.03897	0.3
218.05643	1.4
219.06490	0.6
219.10101	0.4
221.08147	0.6
233.08057	9.4
235.09822	0.3
245.08162	0.9
263.06821	0.3
263.09207	1.6
268.34586	0.3
272.00211	0.3
272.38895	0.3
307.09436	0.4
339.12549	0.3
355.11810	0.3
358.25140	0.3
367.11728	0.4
372.12009	0.3
384.11612	0.4
387.14362	0.9
391.35974	0.3
399.14377	1.0
417.15414	14.4
418.15750	0.6
428.01904	0.3
435.16470	0.5
601.22528	0.7
627.24396	1.3
644.47205	0.5
645.21161	1.8
645.46899	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31930	0.3
55.01866	0.3
55.05515	0.5
62.56607	0.3
65.03944	0.5
66.06456	0.3
67.05490	0.8
68.77902	0.3
69.03397	0.4
70.46750	0.8
71.05007	0.3
78.04725	1.4
79.05482	1.8
81.03413	0.8
81.07035	1.3
85.02884	1.3
91.05472	1.4
93.03378	0.3
93.07034	0.9
94.04165	0.3
94.25579	0.3
95.04961	1.5
95.08597	0.3
96.41753	0.3
97.06536	0.3
103.05467	0.6
105.07019	1.1
106.04169	1.1
107.04953	3.3
107.08588	0.6
115.05453	0.7
117.07028	0.7
119.08573	0.3
121.06496	1.2
123.04418	3.9
124.05212	1.4
125.05977	0.5
127.03916	0.6
131.04919	0.3
133.06482	0.9
137.05983	0.9
141.06946	0.4
144.05661	0.5
145.06483	1.1
147.04349	0.7
149.05986	1.5
151.03906	0.8
152.04675	1.1
157.06491	0.7
159.08041	0.4
161.06018	1.7
163.03911	1.1
166.06117	0.3
167.07033	100.0
168.07364	1.0
171.06468	0.7
172.05147	1.4
173.05946	0.9
175.07510	0.5
179.07008	0.5
181.04958	8.5
181.08488	1.3
187.07520	0.5
189.05505	0.3
190.06104	0.3
191.06961	0.7
193.08615	4.1
200.04733	0.5
201.05421	0.7
203.07051	0.4
205.08585	0.8
205.43604	0.3
209.08069	1.2
211.09631	4.2
217.08720	0.5
218.05742	1.9
219.10181	0.4
233.08075	9.4
235.07520	0.3
235.09807	0.6
241.08298	0.3
245.08122	0.6
247.07275	0.4
263.07019	0.2
263.09253	2.2
281.10208	0.4
305.27780	0.3
339.12442	0.4
355.11578	0.3
367.11679	0.9
381.13330	0.4
387.14145	0.8
399.14310	1.1
405.15643	0.3
417.15414	15.1
432.19174	0.3
445.95413	0.3
571.63434	0.3
627.24341	1.7
645.21204	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.2152
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.7
65.03922	0.7
65.52715	0.5
67.05498	1.5
68.15317	0.5
69.03433	1.4
70.09892	2.7
71.04982	1.7
78.04696	0.6
79.01615	1.7
79.05486	1.5
81.07056	4.6
82.00332	1.1
85.02908	3.2
86.56746	0.5
91.05474	2.0
93.07070	1.5
95.01103	1.2
95.04926	0.8
95.08584	1.2
103.05472	1.4
105.07008	1.1
107.04971	2.5
107.08582	1.6
109.10139	0.8
119.08578	0.7
121.06503	1.3
121.10153	0.8
123.04432	2.2
124.05227	0.8
127.00051	1.6
129.06993	0.6
131.04936	2.0
135.04424	1.1
137.05981	1.6
139.03624	0.9
141.05203	1.5
145.02873	0.7
147.04379	1.4
149.06004	1.3
152.04738	0.8
153.01591	1.2
161.06010	1.4
163.03905	3.5
167.07039	52.1
172.05264	0.7
175.07533	0.7
176.04448	1.6
181.04980	4.8
181.08554	1.0
182.01964	0.6
185.04343	1.1
185.05771	1.8
187.07599	0.7
193.08609	1.8
201.05237	3.2
209.08171	0.9
211.09695	2.4
216.07562	22.1
216.09654	1.1
217.08270	1.2
227.05310	1.9
233.08028	4.8
243.04832	1.5
253.03273	1.2
257.10205	0.9
263.09177	1.1
270.96671	0.7
271.04306	4.2
365.12427	1.2
387.13950	0.7
397.16373	1.4
400.03189	0.6
407.12994	1.3
417.15445	7.9
425.15479	1.3
451.12250	1.0
541.21259	0.7
559.21033	3.8
601.22546	33.0
602.23260	1.0
645.21503	100.0
646.21747	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	643.2519
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	1.4
63.00674	1.4
63.23586	1.4
67.05498	4.2
68.70918	1.2
69.07071	2.5
71.53121	2.2
79.05489	6.0
81.07061	5.2
82.25683	1.3
91.05458	3.0
92.64911	1.3
93.07060	4.0
95.08598	3.5
105.06993	1.9
107.08575	2.1
109.10152	1.7
120.74711	1.5
127.48278	1.3
148.28461	1.5
169.31351	1.5
252.79376	1.4
290.21280	2.3
297.94891	1.5
416.21808	1.5
430.55750	1.5
624.46075	1.8
625.46271	4.5
643.25195	100.0
644.25458	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	643.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28500	1.0
55.05513	1.0
55.97291	0.9
56.96550	1.0
57.59877	0.8
65.03931	1.1
67.05492	1.3
69.41735	1.0
70.78534	1.4
70.78880	2.1
79.05497	1.5
80.05032	1.2
81.07044	3.2
85.02911	2.4
91.05479	1.5
93.07030	3.5
94.06564	4.0
95.07345	2.1
95.08614	2.3
96.08130	5.9
96.08670	1.2
97.02892	1.1
97.06497	1.0
105.07049	1.2
106.06541	1.8
107.04929	1.4
108.04494	1.6
108.08111	8.8
109.10155	1.1
110.09698	6.1
116.04994	1.5
119.08593	1.2
120.04453	4.2
120.08105	6.9
121.06483	1.0
122.06018	2.8
123.11702	3.2
124.07586	5.4
124.63477	0.9
134.05975	2.9
136.07542	7.5
138.09105	8.2
144.04419	4.0
144.08093	1.2
146.05994	3.5
147.04375	2.6
148.07596	2.5
152.07027	1.8
160.03958	2.7
161.06009	1.2
162.05559	4.6
163.03934	2.4
164.07077	1.2
165.09088	3.1
166.08664	10.0
167.07042	3.0
172.03934	19.5
174.05595	1.3
176.07043	2.4
181.05031	1.7
190.04980	14.7
191.07100	1.0
197.10762	1.6
204.06549	32.9
210.09259	1.1
211.08643	3.6
212.09477	2.0
213.10284	1.6
223.08781	1.6
224.09407	1.2
225.10211	8.2
227.11789	12.2
237.10284	2.6
238.10889	2.1
239.11853	2.7
241.09781	1.4
249.10201	2.3
251.11790	3.0
253.09692	5.0
253.13588	1.7
255.11121	2.2
264.08978	2.1
265.09583	1.6
267.11264	1.7
269.12845	16.4
271.10760	6.7
273.12222	4.9
277.09674	1.6
279.11276	2.7
281.12708	1.3
283.10684	5.3
284.11624	3.5
285.12378	4.1
286.12991	1.6
287.13916	13.8
295.10873	1.7
297.12320	7.5
299.14069	4.5
307.10748	1.3
312.14932	1.8
313.12195	2.2
314.13150	1.8
315.13718	2.7
323.10229	5.8
324.11761	1.2
325.11807	17.7
326.16528	1.1
327.13504	3.3
328.10785	2.9
328.14355	2.4
330.16287	1.3
331.16711	1.6
341.11633	1.7
342.12292	4.4
343.12924	8.0
355.13181	1.6
356.13864	4.8
357.14511	10.7
358.15292	2.9
369.11050	1.2
370.15488	4.2
380.14050	1.4
382.11859	3.2
383.12866	2.2
384.13437	3.4
385.14267	2.7
386.14722	2.5
386.18719	2.4
390.18091	2.9
394.15408	1.7
398.14972	16.3
399.15805	20.3
402.18024	1.4
404.15991	4.1
412.16501	1.9
414.18134	3.5
416.16010	17.8
417.15717	1.6
422.17087	2.5
428.15903	2.8
430.17639	2.4
440.15967	6.0
446.17020	11.6
448.18692	1.0
458.17105	30.9
478.19437	1.7
483.84338	1.1
490.19757	6.1
518.72278	1.5
527.52533	1.1
565.24194	2.5
567.26068	3.5
569.24054	6.9
583.25531	2.4
593.23846	7.8
611.24982	100.0
612.25391	2.6
643.27936	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	643.2381
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.7
53.38469	0.4
55.01853	1.5
57.58669	0.3
64.52860	0.3
65.03929	3.6
66.04691	0.4
67.05482	1.6
68.99749	0.4
69.03409	1.4
69.07062	0.5
71.01334	0.5
71.04964	1.2
71.62733	0.6
72.08125	0.6
78.04713	2.3
79.05479	3.4
81.03388	1.5
81.07038	1.3
82.04181	0.7
85.02898	3.5
87.04410	0.5
91.05474	4.4
93.03381	1.0
93.07022	1.3
95.04958	3.3
95.08603	0.5
96.05833	0.4
97.02890	0.8
97.06510	1.2
103.05465	7.6
105.03368	0.8
105.07032	4.6
106.04182	1.8
107.04950	6.6
108.02113	0.5
109.02846	0.4
109.06493	0.7
110.03644	2.1
111.04440	2.3
115.05441	6.7
115.24433	0.4
117.03340	0.6
117.07013	8.1
118.04121	1.3
119.04939	1.8
119.08599	0.9
121.02859	0.5
121.06500	3.0
122.03608	1.2
123.04417	8.2
124.05236	3.0
125.06004	2.2
127.05419	1.1
128.06223	0.6
130.04178	0.5
131.04915	7.0
131.08528	0.5
132.05733	1.1
133.02826	1.5
133.06477	4.4
134.03596	0.9
135.04388	1.4
135.08052	0.8
137.02339	0.5
137.05946	4.3
138.03078	1.1
139.03818	0.4
140.04639	1.0
142.02594	1.1
143.04901	0.9
144.05714	0.7
145.02794	0.7
145.06477	14.9
147.04411	1.8
147.08043	1.7
148.05194	3.9
149.05975	3.8
151.03902	2.5
151.07506	1.1
152.04637	1.9
153.05470	2.5
154.06184	0.6
155.06026	3.1
155.07021	0.8
157.06461	1.0
159.04393	0.9
159.08054	0.5
160.05162	0.7
161.05969	6.1
163.03882	3.5
163.07539	6.1
164.04224	0.4
165.05482	2.1
166.02647	0.4
167.07028	100.0
168.07428	1.8
171.06532	4.4
173.05981	22.0
175.03876	0.5
175.07561	1.8
176.04681	1.2
177.05467	4.1
177.09052	0.6
178.06061	0.6
179.06981	1.5
179.86322	0.4
180.07875	1.0
181.04945	70.5
181.08440	1.4
182.05319	1.2
185.05980	0.4
187.07556	1.2
188.04633	0.5
189.05452	0.7
189.07010	0.5
190.06276	0.7
190.07864	0.4
191.07021	29.5
192.07631	1.2
193.04961	1.4
193.08635	2.1
195.06520	2.4
195.08051	0.4
200.04510	0.4
201.05438	1.1
203.06926	2.2
205.06766	0.5
205.08574	6.7
207.06519	1.3
207.10164	0.8
208.07332	1.3
209.08075	3.2
217.08598	1.7
218.07330	0.5
219.06454	1.0
219.08385	0.5
219.10172	1.9
221.07913	0.6
222.06895	0.6
223.07669	0.5
225.07559	4.5
226.08360	0.5
231.06570	1.1
233.08060	6.6
234.08817	0.8
235.07523	0.8
235.09630	6.9
237.09171	0.7
245.08295	0.6
250.06320	0.6
251.06982	0.5
263.06854	0.5
263.09186	5.7
264.07697	0.5
265.08618	0.7
267.10202	1.0
279.06540	0.6
279.09991	0.5
281.08313	0.4
282.09009	0.5
293.08051	0.7
297.07919	0.6
297.11240	1.0
307.09509	0.6
323.09277	0.8
325.10925	1.9
327.12347	0.7
329.13971	0.7
335.09030	0.4
353.10175	1.3
354.11005	0.4
355.11938	0.5
357.13306	6.2
367.11853	1.0
371.14935	0.6
381.13531	1.2
385.12814	25.0
386.13333	1.3
387.14322	5.0
399.14261	2.4
415.13763	1.8
417.15427	12.7
418.15720	0.5
420.19772	0.5
623.50739	0.4
643.23816	48.9
644.23944	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	643.2384
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67099	0.4
53.03925	1.2
55.01857	0.8
57.99291	0.3
58.93694	0.3
60.93330	0.3
65.03938	3.1
67.05474	1.5
69.03394	1.3
69.53043	1.3
69.53473	1.5
70.06551	0.5
71.04969	0.5
77.03918	0.5
78.04707	2.6
78.87886	0.3
79.05489	2.4
81.03387	0.7
81.07021	0.7
82.04186	0.9
83.42496	0.3
85.02904	2.9
89.03905	0.9
91.05470	2.4
93.03365	0.5
93.07017	1.2
95.04985	2.6
97.02881	0.6
97.06506	0.6
101.05996	0.4
103.05461	3.3
105.07043	1.0
106.04149	1.2
107.04945	5.3
108.02063	0.6
109.06477	0.4
110.03632	1.5
111.04420	1.3
115.05437	4.9
117.03370	1.6
117.06212	0.6
117.07011	10.0
118.03687	0.4
119.04907	0.4
119.08565	0.4
121.02821	0.6
121.06522	3.1
122.03677	0.6
123.04428	7.6
124.05254	2.8
125.06015	1.7
127.05406	1.1
130.04172	0.5
131.04915	2.4
133.02838	0.8
133.06493	0.9
134.03589	1.0
135.04395	1.5
135.11728	0.4
137.05983	2.6
138.03107	0.7
140.04668	0.7
142.02583	0.6
143.04895	0.8
144.05675	0.7
145.02841	4.0
145.06480	14.0
146.03201	1.3
146.06955	0.5
147.03310	0.4
147.04362	1.0
147.08069	0.9
148.05168	0.8
149.05998	3.8
151.03905	2.2
151.07527	1.1
152.04698	2.2
152.83809	0.3
153.05406	1.6
153.12682	0.6
155.06030	2.8
156.05659	0.4
159.04372	0.6
160.05205	0.9
161.05984	0.8
163.03903	5.5
163.07533	0.8
164.04240	0.9
165.04289	0.5
165.05482	1.3
167.07031	100.0
168.07372	1.2
171.06535	3.2
173.05978	22.4
174.06483	0.5
175.07545	1.5
176.04707	0.5
177.05461	9.3
178.05829	3.6
179.05847	0.9
181.04945	45.7
181.08398	1.0
182.05261	0.8
182.09576	0.4
187.03677	0.4
189.05518	0.5
191.07018	2.2
191.08519	0.4
192.07784	0.6
193.08545	0.5
194.05685	0.6
195.06526	0.9
201.05370	0.6
203.07022	2.5
205.06728	0.7
205.08589	5.9
207.06410	0.4
209.08072	2.8
217.08525	1.1
219.06396	0.7
219.08269	0.7
220.07294	0.3
221.07938	0.6
225.07466	0.6
231.06409	0.8
233.05847	0.5
233.08044	6.3
235.07483	0.7
235.09637	6.5
237.09109	0.4
247.07703	0.6
249.08994	0.4
250.06314	0.6
263.06915	0.4
264.07941	0.7
265.08429	0.9
277.08575	0.7
279.06445	0.6
281.08099	0.5
282.08813	0.5
293.08112	1.1
295.09756	0.6
297.11279	1.0
299.08963	0.4
303.04987	0.7
304.05283	0.8
305.05457	0.5
307.09665	0.4
309.07541	0.4
309.11273	0.5
310.08276	0.8
311.09143	0.5
325.10703	1.8
329.10355	1.6
329.13718	0.5
337.10800	0.6
342.11102	0.5
353.10349	0.7
355.11731	0.4
357.13321	5.3
367.11780	0.4
370.10172	0.4
381.13528	0.6
385.12805	29.0
386.13351	1.4
387.14417	6.0
397.12723	0.5
399.14526	2.3
415.13986	1.0
417.15402	16.9
418.15536	0.5
611.24292	0.6
613.22968	0.7
643.23822	53.4
644.23920	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	643.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	0.3
52.10878	0.2
53.03949	0.6
55.01877	0.6
55.05502	0.5
57.03418	0.2
65.03933	1.8
67.05495	0.7
69.03436	0.6
69.07093	0.3
70.53128	0.5
70.53525	0.6
71.04998	0.7
72.08121	0.3
74.06074	0.3
76.03178	0.2
76.61800	0.2
77.03931	0.8
78.04705	0.5
79.05492	1.4
80.34397	0.2
81.03411	0.7
81.07050	2.1
83.08637	0.3
85.02901	2.4
86.09705	0.6
89.03905	0.5
91.05477	20.7
93.03378	0.3
93.07048	0.8
95.04962	1.7
95.08614	0.8
97.02892	0.4
103.05467	1.7
105.03381	0.7
105.04532	0.2
105.07028	0.9
106.04134	0.4
107.04952	48.3
107.08568	0.5
109.02863	0.4
109.06530	0.3
109.10159	0.7
111.04421	0.3
115.05461	0.9
117.07016	1.9
118.04155	0.6
119.04938	32.6
121.02872	0.3
121.06498	0.8
122.03641	0.4
123.04423	2.6
123.11703	0.4
124.05198	0.4
125.05972	0.3
127.03908	0.6
129.03387	0.6
129.05504	0.4
131.04945	1.3
132.02078	1.1
133.02849	0.6
133.06470	0.8
133.10068	0.3
134.03654	0.3
135.04404	1.0
135.08090	0.3
136.05206	0.6
137.05984	1.0
137.13245	0.3
139.03899	0.4
145.02843	0.8
145.06464	2.8
147.04404	30.1
148.04832	0.6
149.02357	1.0
149.05984	1.4
151.03889	4.0
151.07544	0.9
152.04652	0.4
153.05402	0.3
155.05986	0.5
157.03908	1.9
157.06534	0.3
161.05952	0.8
162.03026	0.4
163.03917	2.2
163.07487	0.7
164.04634	1.1
165.05475	0.6
165.37468	0.3
167.07036	19.7
169.04997	0.6
171.06570	0.5
173.05986	4.0
175.03900	51.2
176.04453	0.6
177.05516	0.5
179.03404	0.3
179.07025	2.7
181.04950	7.9
185.05975	0.3
187.07401	0.3
189.05496	0.6
191.07011	3.6
191.10669	0.3
192.04176	0.5
193.04947	5.0
195.06503	0.4
201.05347	0.3
201.12381	0.3
203.07027	0.3
205.04913	0.6
205.08630	0.9
207.06522	100.0
208.06834	1.3
209.08047	0.5
211.05983	4.5
213.05260	0.4
215.07002	0.3
217.05013	1.7
219.06482	0.6
219.10269	0.2
225.07552	0.8
231.06505	0.9
233.08025	1.5
235.06042	1.3
235.09674	0.4
249.07437	1.4
259.05957	1.4
263.09186	0.6
267.08618	0.3
275.09137	0.3
277.07034	0.6
299.09094	1.8
309.09659	0.3
313.11478	0.3
317.06567	0.6
317.10187	9.3
341.10214	1.6
353.10190	0.6
354.49753	0.3
357.09625	0.9
365.10114	2.8
369.11551	0.4
383.11032	1.3
385.12772	1.0
387.14297	2.0
399.14844	0.3
417.15427	10.8
509.98312	0.3
583.17108	0.3
611.24744	0.7
643.23602	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.2605
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72305	0.3
53.03953	0.4
55.01877	0.9
55.05511	2.0
55.06605	0.2
57.03437	8.4
59.05003	0.8
61.02929	2.3
64.24449	0.2
65.03934	0.3
65.36102	0.2
69.03430	8.9
69.03812	0.4
69.72089	1.3
69.72498	0.4
71.01347	0.5
71.04991	54.5
73.02914	4.3
73.03301	0.3
75.04482	6.0
81.03409	2.1
83.04984	8.9
85.02902	100.0
86.03239	0.6
86.06062	0.3
87.04464	2.7
91.03971	0.9
91.05473	2.2
93.07069	0.3
95.04974	0.5
97.02892	8.3
97.03516	0.5
98.97587	0.3
99.04453	2.0
101.02393	0.3
101.06015	0.9
103.03918	1.4
105.07034	0.5
107.04967	0.7
107.08534	0.3
109.02879	2.0
109.80505	0.3
111.04439	6.5
115.03947	0.7
115.31155	0.2
116.98611	0.3
119.04966	1.7
121.06528	0.7
123.04444	0.7
127.02979	0.4
127.03912	8.0
129.05475	41.0
130.05789	0.3
131.04892	0.3
133.04970	0.3
133.06509	0.8
135.04430	0.7
137.05972	15.3
143.04910	0.4
145.04953	7.0
146.08142	0.8
147.06519	23.7
149.05997	1.6
151.07521	2.3
153.05482	0.3
155.07033	2.7
157.06432	0.6
161.05980	1.4
163.03880	1.9
163.06039	2.4
164.09166	2.0
165.05492	1.4
165.07623	1.5
167.06989	1.6
169.04955	0.5
171.06509	0.6
175.07555	0.6
177.00633	0.5
179.07028	5.6
185.06085	0.7
187.07535	0.4
188.09143	0.3
191.07028	0.8
195.06458	0.4
197.08022	0.9
199.05882	0.3
203.07042	1.6
207.06526	0.4
219.01813	0.4
221.08122	2.3
225.07576	0.7
229.08678	0.3
231.08603	0.8
233.08371	0.3
237.02831	1.1
237.07550	1.8
243.08675	0.8
247.09689	4.3
251.09113	0.4
255.08636	4.5
263.09161	1.2
265.10715	3.0
273.09683	4.6
281.10138	1.0
283.11716	1.2
289.09048	0.4
291.10577	0.4
299.11179	0.4
301.12698	0.8
309.11789	9.2
317.12210	1.0
337.06412	0.3
373.07819	0.3
392.76025	0.3
418.14673	0.8
427.15707	0.3
450.12582	0.3
466.13791	0.4
469.10654	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
56.02425	0.2
57.03434	1.7
59.04989	0.3
63.02344	0.3
66.42734	0.3
66.54482	0.2
69.03427	0.7
70.65520	0.8
71.04990	11.7
72.44409	0.3
75.04486	0.3
79.05485	0.4
81.03407	0.5
83.04971	1.3
85.02902	13.8
86.03277	0.3
86.97151	0.2
87.04474	0.5
89.03913	2.2
91.05450	0.4
97.02892	1.2
99.04435	0.4
107.04935	1.0
111.04443	0.9
113.80245	0.2
114.10222	0.3
117.03373	3.3
119.04913	0.4
123.04401	0.5
127.03915	0.5
129.05464	3.8
135.04411	9.2
137.05954	1.1
138.05423	0.4
145.02840	7.7
145.03986	0.4
147.04462	2.3
147.06464	1.8
161.06038	0.3
163.03896	100.0
164.04297	3.3
165.05559	0.4
181.04985	1.0
191.38734	0.2
203.07211	0.3
247.09616	0.3
255.08859	0.3
263.09131	0.4
273.09818	0.3
291.08633	1.0
307.08282	0.4
309.09677	3.8
313.81729	0.3
325.09171	8.6
326.09573	0.4
453.13797	0.4
471.15115	2.5
629.26605	0.4
642.23920	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.1499
Annotation	Quercetin 3-(6''-feruloylgalactoside)
Peak:m/z	Relative Intensity
53.03932	0.4
57.03439	0.2
61.96755	0.1
63.02376	0.4
69.03428	1.5
69.07043	0.1
70.55211	0.5
71.04978	0.4
73.02934	0.2
77.03945	0.1
78.04726	0.2
81.03418	3.3
85.02895	1.4
89.03908	5.1
91.05474	0.5
95.05024	0.2
97.02892	0.3
99.04462	0.3
103.05446	0.3
106.04179	0.3
107.04931	0.4
109.02891	1.3
117.03375	16.5
119.04968	0.2
121.02879	0.2
124.05227	0.2
127.03905	0.9
131.04961	0.1
134.03619	0.9
135.04417	2.5
137.02328	0.5
137.03267	0.1
137.06012	0.2
145.02841	45.6
146.03162	0.3
147.04369	0.3
149.05975	6.1
151.03810	0.2
153.01828	0.6
158.06013	0.3
162.03157	0.2
163.03903	10.4
164.04305	0.2
165.01811	0.4
174.22937	0.2
177.05464	100.0
178.05803	0.8
181.04919	0.3
183.02925	0.1
186.05486	1.5
189.05202	0.4
195.06506	1.2
201.05446	0.3
229.04976	1.2
257.04361	0.7
274.04691	0.2
279.08566	0.2
285.03964	0.3
302.04227	0.3
303.04993	18.2
304.05389	0.2
307.08087	0.6
317.06509	2.4
318.06821	0.2
321.09686	6.2
325.09259	0.5
339.10727	4.5
561.29010	0.2
641.25702	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.2
55.05499	0.2
57.03432	1.7
59.04938	0.2
60.34636	0.2
63.02373	0.2
64.95553	0.2
69.03419	0.7
70.31546	0.8
71.01363	0.2
71.04993	10.3
73.02891	0.3
75.04473	0.4
79.05477	0.3
81.03422	0.3
83.04996	1.1
85.02901	11.7
87.04461	0.5
89.03392	0.3
89.03905	2.7
91.05457	0.2
95.04976	0.3
97.02895	1.5
99.04453	0.4
107.04959	1.1
108.96285	0.2
111.04430	0.7
117.03378	3.5
118.85628	0.2
119.04918	0.2
123.04401	0.2
127.03888	0.3
129.05476	3.3
135.04408	9.3
137.05988	0.5
138.05473	0.3
145.02840	7.3
146.08105	0.2
147.04399	1.4
147.06508	1.7
163.03894	100.0
164.04228	2.4
164.09187	0.2
165.05466	0.2
167.07065	0.2
181.04898	1.0
186.05479	0.2
237.11671	0.2
241.14693	0.2
245.07942	0.2
255.06360	0.3
273.07574	0.6
291.08643	0.4
307.08374	0.4
309.09665	1.8
317.06509	0.2
325.09198	3.7
333.06085	0.5
334.06210	1.0
376.70981	0.2
418.22885	0.2
471.15219	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	0.1
55.01870	0.2
55.05513	0.3
55.72465	0.2
57.03437	1.8
59.04985	0.1
60.04501	0.2
61.78081	0.2
63.02372	0.3
69.03431	0.8
69.07785	0.1
71.01367	0.2
71.04990	13.4
71.61487	0.2
72.05322	0.2
73.02901	0.3
73.31988	0.1
74.06056	0.2
75.04475	0.6
75.85886	0.2
77.03939	0.2
79.05489	0.6
81.03394	0.4
81.07004	0.2
83.04985	1.3
85.02902	15.9
87.04474	0.3
89.03906	2.6
91.05461	0.3
95.04986	0.3
97.02892	0.4
99.04446	0.5
107.04959	1.2
109.02867	0.3
111.04453	0.9
117.03368	3.6
119.04880	0.3
121.06503	0.2
127.03896	0.9
129.05476	6.1
130.11052	0.1
131.04977	0.2
135.04414	11.7
136.04742	0.2
137.02365	0.3
137.05957	0.8
138.05487	0.2
145.02838	8.6
145.04767	0.3
146.08131	0.3
147.04411	0.8
147.06494	2.6
149.05954	0.3
161.05928	0.3
161.23453	0.2
163.03897	100.0
164.04256	2.3
164.09175	0.5
165.05479	0.4
179.07111	0.2
181.04971	0.5
185.05992	0.2
186.05482	0.3
203.06857	0.1
205.04907	0.3
209.08015	0.3
245.08167	0.2
247.09508	0.2
255.08542	0.5
263.08954	0.2
273.07358	0.3
291.08453	1.1
302.04175	0.2
303.04916	1.1
307.08316	0.2
309.09561	2.7
325.09164	6.3
326.09622	0.3
335.03986	0.3
417.11871	0.2
453.13858	0.4
471.15063	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01635	0.2
51.02391	0.3
53.03948	1.9
55.01868	3.4
55.05526	0.2
56.20685	0.1
57.03434	2.1
59.05008	0.2
61.02927	1.8
65.03924	0.3
66.04718	0.2
66.50774	0.1
67.05507	0.3
68.99780	1.3
69.03425	10.0
71.04993	2.0
71.59226	0.2
73.02912	3.0
79.05489	0.7
79.15108	0.2
81.03413	12.0
81.07063	0.9
82.03748	0.2
83.01350	0.4
83.04958	0.3
83.08617	0.2
85.02899	29.8
86.03231	0.4
87.00824	9.3
87.04465	0.3
91.03957	0.8
91.05491	1.0
93.07056	0.2
93.15060	0.2
94.04170	0.6
95.04945	0.3
97.02885	10.3
99.00790	0.2
99.04448	5.8
103.03945	0.8
103.05445	2.1
105.01859	10.3
105.07027	2.7
107.04951	0.5
107.08627	0.2
108.04453	0.3
109.02873	12.4
109.10179	0.2
111.04431	0.6
115.03918	0.6
115.05445	0.4
117.01846	1.7
117.07007	0.5
119.04921	0.5
119.08607	0.2
121.06554	0.3
122.03648	2.8
127.03908	21.6
128.04250	0.3
129.01840	1.7
129.06979	0.4
131.04921	6.6
133.06473	3.4
135.02914	0.2
135.04362	0.2
135.07994	0.4
137.05968	100.0
138.06306	1.8
139.03918	0.2
141.07059	0.3
143.04883	0.3
145.04955	10.9
145.06427	1.0
147.02893	1.4
147.04408	0.4
149.05879	0.2
151.07549	2.6
154.06236	0.8
157.10043	0.2
159.02881	8.5
160.05176	0.8
161.04694	0.3
161.05948	1.5
163.03906	0.7
163.07530	16.5
164.07957	0.4
165.05350	0.3
165.09114	2.9
167.07077	0.5
169.06509	0.4
171.02934	0.2
171.07892	0.2
173.05977	0.3
175.07529	3.6
177.03929	0.6
177.05370	0.3
177.09097	1.6
179.07047	1.3
181.05049	0.5
181.08580	15.8
182.08968	0.3
183.08075	0.3
185.05945	0.4
186.06868	0.2
187.07532	1.2
189.03922	1.4
189.09077	0.4
191.07022	0.9
193.08537	0.5
195.10124	1.6
197.05977	0.3
199.07600	0.3
201.09076	0.5
203.06998	1.0
205.06769	0.4
205.08577	3.9
209.08073	0.3
211.07619	0.3
211.13261	0.2
213.03908	1.4
213.09224	0.3
215.10658	0.2
217.08559	0.7
219.10176	0.2
221.08078	0.6
223.09631	1.7
225.09114	0.3
227.06992	0.3
229.08585	1.2
231.04982	6.7
231.64191	0.2
233.08054	0.2
241.08617	0.4
243.10161	0.7
245.08018	0.4
247.09676	1.5
249.05977	1.0
253.08553	0.4
259.09668	0.4
261.11157	0.5
265.10721	1.0
271.09653	1.7
289.10681	4.4
307.11823	1.3
371.86740	0.2
375.10855	1.1
392.40594	0.2
393.11832	1.5
411.12930	1.1
576.62164	0.2
640.33521	0.3
641.30939	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.3373
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	4.9
53.99308	0.6
55.01875	3.6
55.05509	18.0
57.03195	0.8
57.03439	7.9
57.07072	0.9
59.04997	1.1
60.49236	0.5
60.91805	0.6
65.03949	1.2
67.05503	21.7
69.03425	12.9
69.06269	0.5
69.07070	6.8
69.44659	0.5
69.45016	5.5
71.01337	1.1
71.04993	7.1
79.05492	23.1
81.03415	100.0
81.07053	27.6
81.07436	0.4
82.03761	0.8
83.04980	17.0
83.08617	21.6
85.02907	20.9
85.03427	1.0
85.06567	1.5
86.95148	0.6
91.05480	25.1
91.44607	0.6
93.07039	15.7
95.04962	26.2
95.08601	9.6
97.02886	13.3
97.06520	5.2
97.10168	6.0
99.04448	3.7
99.08102	1.3
101.16730	0.7
103.05493	1.3
105.07030	22.1
107.04958	7.3
107.08595	9.7
109.02874	15.4
109.03580	1.1
109.06516	5.4
109.10145	4.1
111.04443	11.7
111.08082	11.8
113.06064	1.6
115.05472	1.9
117.07009	2.9
119.04918	1.7
119.08583	16.6
121.06469	3.3
121.10129	10.8
123.04443	2.0
123.08084	2.7
123.11657	2.9
125.09629	4.8
127.03911	8.4
127.07545	0.8
128.06223	0.8
129.05486	2.1
129.06996	10.0
131.04938	2.1
131.08566	12.4
133.06537	3.9
133.10124	9.6
135.04427	1.5
135.08066	1.7
135.11694	3.0
137.05992	2.0
137.09630	1.7
137.13290	1.3
142.07811	2.4
143.08551	1.4
145.06496	1.8
145.10110	4.0
146.96103	0.6
147.04407	1.5
147.08052	4.0
147.11684	15.2
149.05933	1.0
149.09641	6.9
151.11230	0.8
153.09114	1.1
153.12766	3.4
155.08577	1.2
157.06468	0.9
157.10129	14.9
159.08035	0.9
159.11615	0.7
161.04404	0.6
161.05998	1.9
161.09642	0.8
161.13208	1.2
163.03918	1.8
163.11156	4.5
165.05502	0.8
165.09177	1.6
165.12787	5.2
167.07069	0.8
167.08466	0.6
169.10162	1.2
171.11665	1.0
173.04465	1.9
173.05898	0.6
173.09653	1.5
175.11174	13.4
181.12201	4.2
183.13991	0.6
189.11250	1.4
189.12729	1.3
191.10645	2.8
193.12239	41.7
194.12621	0.9
195.11729	0.7
207.13812	1.5
209.11716	1.1
211.13284	60.5
212.13712	1.5
213.12880	0.6
213.14862	0.7
217.12241	1.0
223.13417	0.7
227.12714	5.0
229.14365	2.4
235.13251	1.2
237.12791	0.8
249.14864	2.2
255.13808	0.9
259.13229	1.1
267.15924	21.5
273.14893	2.5
277.14352	1.2
279.06577	0.6
283.15518	2.1
285.09973	0.8
285.16986	14.8
291.15997	1.0
301.14178	4.6
309.16946	1.0
313.16370	1.1
319.15341	3.2
337.16437	3.2
351.18387	0.8
355.17548	6.9
367.22702	1.4
375.17975	1.7
385.23737	3.1
393.18994	3.7
403.24759	2.0
411.20251	5.9
429.21301	4.9
441.26495	1.1
441.33868	0.7
459.27380	9.6
477.28464	16.3
478.28610	0.9
495.29489	17.3
501.28479	1.2
511.29025	1.8
519.29218	1.6
526.08423	0.6
543.29626	1.3
561.30469	1.4
567.29712	0.9
573.30566	2.2
585.30603	2.8
603.31763	4.3
621.32776	13.8
622.33362	1.1
639.33728	50.9
640.34021	2.6
643.69434	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.3289
Annotation	Unknow
Peak:m/z	Relative Intensity
60.94233	0.2
65.72485	0.2
67.05489	1.2
79.05496	1.0
81.07053	12.7
91.05486	0.3
93.00482	0.2
95.08594	2.8
107.08601	0.4
109.10153	0.4
129.32558	0.2
135.11661	0.2
137.13242	1.1
187.03644	0.5
193.11995	2.5
339.15668	3.9
351.08386	5.7
367.08020	1.1
392.11066	0.4
485.18954	0.3
487.21082	0.9
503.20374	22.8
504.20676	1.1
639.32874	100.0
640.33234	5.9
657.67175	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2256
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	0.7
57.71664	0.5
67.05489	0.9
69.03427	1.4
69.07050	0.9
70.28242	1.8
71.04990	1.3
79.05503	1.4
79.93244	0.5
81.03400	1.5
81.07046	2.5
83.08611	0.6
85.02902	2.6
87.84914	0.5
91.05465	1.4
92.00773	0.5
92.78434	0.5
93.07034	1.6
94.70361	0.6
95.04980	1.0
95.08599	2.2
97.02911	1.3
97.06558	0.7
97.10191	0.6
103.05473	0.5
105.01890	0.6
105.07034	1.9
106.07358	0.7
107.04948	0.7
107.08594	1.4
109.02885	0.8
109.06432	0.6
109.10163	1.4
111.04430	0.5
119.04948	0.6
119.08589	1.4
121.06520	0.7
121.10153	1.1
123.11684	0.7
127.03889	1.0
131.04884	0.7
131.08549	0.8
131.52512	0.5
133.10126	0.8
135.04396	0.5
135.11684	0.5
137.05917	1.1
145.10135	0.6
147.04416	1.9
147.11693	2.0
149.06062	0.5
149.09619	0.9
161.05927	0.6
163.03909	3.4
163.07430	0.6
165.09117	1.2
166.09525	0.7
166.74136	0.5
167.07092	1.0
177.05441	1.2
203.06822	0.5
203.18056	2.2
204.18323	1.7
221.19006	0.8
222.19313	1.3
382.24091	0.6
395.11029	1.1
403.06781	0.5
410.13403	2.3
425.12222	1.8
440.14432	3.9
637.22540	100.0
638.23193	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	637.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01627	0.1
55.01872	1.9
64.76706	0.1
67.05490	0.2
69.07067	1.5
69.31548	1.2
70.06576	0.4
71.04984	0.4
73.02912	0.2
85.02919	0.6
86.71085	0.1
91.05450	0.2
94.06551	0.4
95.04964	0.2
96.04486	0.3
97.06517	0.2
98.20777	0.2
103.07432	0.1
108.04470	0.5
108.08108	0.2
112.07597	0.5
115.13651	0.1
119.07328	0.1
120.08102	0.3
121.93783	0.1
122.06011	0.4
123.04411	0.1
124.07577	0.1
126.76788	0.1
132.08134	0.1
136.07581	0.7
140.07066	2.7
141.05426	0.2
146.06001	0.4
147.06793	0.3
148.06383	0.2
148.07570	3.5
150.05447	0.3
150.09067	0.1
160.07607	0.3
163.03908	0.2
164.07048	0.3
165.05426	0.3
168.06566	2.8
170.09613	0.3
172.07533	0.2
172.11328	0.1
173.07082	0.2
174.05507	0.6
174.07785	0.2
174.09138	0.3
175.08675	0.2
182.08369	0.2
184.11198	0.1
185.10864	0.2
185.65807	0.1
187.08624	0.3
188.07008	0.2
196.07516	0.3
196.11258	0.3
197.10744	0.2
198.07860	0.1
198.09210	0.9
198.11076	0.1
198.13033	0.1
199.06818	0.2
199.08647	3.3
199.12398	0.2
200.09232	0.2
200.10828	0.2
201.10242	0.4
202.08601	0.2
203.09467	0.4
210.09184	0.3
211.08455	0.1
211.10188	0.2
211.12204	0.1
212.09361	0.7
213.10217	1.1
214.10939	0.7
215.11807	1.4
223.12355	0.1
224.10892	0.6
225.10217	3.2
226.08766	1.3
226.10767	0.3
226.12537	0.2
227.08189	1.5
227.11760	2.6
228.12444	0.2
229.09657	0.2
229.13412	0.2
237.10327	0.1
238.08592	0.3
239.11829	0.2
240.08978	0.2
241.09673	0.8
241.13390	1.0
242.10361	0.7
243.11269	1.4
243.15106	0.1
251.11824	0.2
252.10173	0.6
253.13446	0.2
254.11890	0.3
255.11284	14.7
256.11752	0.5
257.12888	0.2
259.14569	0.2
267.11456	0.1
269.12851	4.4
270.11108	0.2
271.14493	0.2
273.12369	0.1
280.09509	0.2
281.12936	0.1
285.12253	0.3
287.05615	0.1
287.13864	1.4
297.12323	5.9
298.10281	0.1
299.13907	0.9
303.13562	0.1
305.11716	0.1
305.14957	1.6
315.13370	100.0
316.13797	3.2
317.15060	0.7
393.76385	0.1
501.30652	0.1
601.26630	0.5
619.27716	1.1
637.28845	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03101	0.2
56.96571	0.2
57.03438	0.7
57.21030	0.2
59.75842	0.2
61.02934	0.3
61.48909	0.2
69.03448	0.2
71.04963	0.2
71.41273	0.4
71.41637	0.2
71.51081	0.1
73.02920	1.5
74.02441	0.6
84.59962	0.2
85.02909	0.6
86.68098	0.2
91.05482	0.6
97.02898	0.5
98.97582	0.3
115.03926	0.5
115.05444	0.8
116.98640	0.2
117.05772	0.4
117.06991	1.1
118.06538	13.2
130.06544	1.1
132.08084	4.2
135.04381	0.3
142.06502	1.4
143.07298	1.6
144.04439	0.2
144.08080	10.5
145.06494	0.2
146.06003	50.7
147.04420	0.4
147.06372	0.4
159.09164	5.5
160.07652	0.9
163.03879	1.0
169.03279	0.2
170.06003	3.7
177.00679	0.3
188.07056	100.0
189.07397	0.9
193.65196	0.2
205.09715	51.8
206.10063	0.3
206.30171	0.2
206.65331	0.2
216.02263	0.2
219.01793	0.3
237.02800	0.7
237.04893	0.2
271.78253	0.2
308.37698	0.2
321.08139	0.2
337.05988	0.2
410.12988	0.2
450.62805	0.5
451.13098	0.3
459.63217	0.6
460.13812	0.7
460.64346	0.2
469.10175	0.3
485.07053	0.2
589.61774	0.2
659.47839	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.1756
Annotation	Multiflorin A
Peak:m/z	Relative Intensity
50.71933	0.2
51.13526	0.2
53.03951	1.6
55.01855	0.6
55.05508	0.5
56.10831	0.2
56.63315	0.2
57.03438	2.0
57.30672	0.2
59.04995	0.2
61.02907	0.7
65.03909	0.3
68.99792	0.3
69.03072	0.3
69.03426	4.4
70.06587	0.2
71.01329	0.4
71.04990	9.1
73.02892	0.8
75.04452	0.6
79.05495	0.3
81.03413	7.0
83.04993	1.0
85.02900	13.7
87.04440	0.5
88.83347	0.2
91.05448	0.7
93.07051	0.2
95.04936	0.4
97.02884	3.3
99.04454	1.7
103.03916	0.6
105.15233	0.2
107.04932	0.2
109.02872	7.0
111.00808	0.4
111.04417	0.9
119.04956	1.3
121.02857	1.4
121.06506	0.2
123.04442	0.3
124.40295	0.2
127.03909	6.0
129.05487	2.2
131.04871	0.2
133.02823	0.3
133.04916	0.2
133.06473	0.2
135.04431	0.3
137.02417	0.3
137.05994	0.7
139.03897	0.3
145.04970	1.1
147.04405	7.4
147.06375	0.4
148.07576	0.3
149.05997	0.2
151.03903	0.6
153.01843	1.9
153.05508	0.4
157.06461	0.2
163.03914	1.2
165.01848	1.0
165.05482	0.6
167.07011	0.5
168.06494	0.3
169.04982	0.4
183.02876	0.5
183.06506	0.4
185.05992	0.3
187.06010	5.1
187.07648	0.3
192.72963	0.2
205.07024	1.0
209.72969	0.2
213.05469	0.7
227.11691	0.3
231.06583	0.5
237.07616	0.5
241.05099	0.4
255.08891	0.3
255.11337	0.5
258.05225	0.7
269.13153	0.2
287.05487	100.0
288.05786	2.1
299.05472	0.4
309.09653	0.2
311.05579	0.4
315.13461	4.6
329.06476	1.0
395.07870	0.3
415.93967	0.2
433.11478	0.5
433.28043	0.2
479.77914	0.2
491.11816	1.5
619.27545	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	634.3739
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.7
55.05508	0.7
57.07071	1.5
65.03960	0.4
67.05511	3.4
69.07067	0.7
70.18867	0.5
70.19282	0.8
71.08640	0.4
76.91386	0.3
79.05494	4.8
79.34722	0.2
81.07059	100.0
82.07408	0.7
85.02926	0.3
91.05464	0.4
93.07041	1.1
95.01327	2.2
95.04974	0.6
95.08607	12.1
107.04957	4.3
107.08569	0.5
109.10163	1.2
110.25016	0.3
113.02338	0.4
115.05467	0.5
117.07065	0.3
119.04956	0.6
121.02890	0.8
123.04408	0.7
131.04962	0.7
133.06531	0.4
135.04379	0.4
135.11678	0.8
137.13258	53.9
138.13602	1.0
145.06512	0.9
147.04376	1.2
149.06013	0.7
151.03882	1.7
165.05486	0.6
171.08086	1.3
173.05972	3.9
181.04997	2.7
181.06480	0.5
185.06123	0.4
189.05420	0.4
191.08607	0.4
197.06010	2.5
207.08043	1.2
217.04979	0.5
219.08023	0.9
221.05920	0.8
221.09641	0.3
223.07553	0.8
225.09132	0.5
235.07574	2.0
237.08957	0.5
241.04990	0.5
247.07506	0.7
249.05504	0.5
251.07053	0.6
252.07893	0.3
253.08691	1.9
263.07089	1.9
265.08612	2.2
265.93777	0.3
281.08063	4.1
283.09552	1.0
291.06473	0.6
299.09161	0.5
309.07596	2.9
327.08618	5.7
345.09695	29.6
346.10138	0.5
481.22021	1.2
563.65778	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	634.3739
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.6
53.61479	0.3
55.05512	0.5
57.07067	0.8
65.03941	0.5
67.05500	3.8
69.07075	0.9
70.38496	0.3
71.08636	0.3
79.05492	4.8
79.11121	0.3
81.07057	100.0
82.07391	1.1
91.05471	0.5
92.62291	0.3
93.07045	0.7
95.01331	1.6
95.04987	0.4
95.08611	11.0
107.04942	3.2
107.08606	0.8
107.44290	0.3
109.10142	0.6
113.02346	0.4
121.02869	0.8
123.04439	0.7
135.04395	0.7
135.11729	1.8
137.13257	50.1
138.13583	0.8
144.05701	0.3
145.06500	0.9
147.04414	1.2
151.03940	1.6
165.05656	0.4
169.06526	0.4
171.08015	0.8
173.05998	4.2
177.05478	0.5
181.04958	3.2
183.07977	0.4
197.06015	1.7
207.08078	1.1
217.04939	0.8
219.08054	0.8
220.38043	0.3
221.05864	0.7
223.07484	0.4
225.09125	0.6
229.25610	0.4
235.07675	1.7
237.09045	0.4
241.04948	0.6
247.07567	0.4
251.06976	0.7
253.08563	1.9
263.06885	1.7
265.08557	1.9
281.08084	3.1
283.09692	1.0
291.06592	0.3
299.08954	0.5
309.07617	2.3
327.08624	5.1
330.43530	0.3
345.09689	27.8
444.53513	0.3
481.22153	0.9
575.36066	0.3
599.34271	0.3
604.70441	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	634.3735
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50233	0.6
56.62642	0.6
57.07074	0.9
67.05490	3.8
69.07073	1.2
70.54568	2.4
79.05495	7.9
81.07054	100.0
82.07375	1.6
91.05486	4.2
93.07039	9.9
95.04986	1.4
95.08598	13.5
105.07042	1.5
107.04951	2.2
107.08589	21.9
107.09290	1.3
109.06500	0.7
109.10161	2.5
119.04941	7.4
120.37998	0.7
123.04413	0.7
125.16619	0.8
135.11687	46.2
137.13249	54.5
138.13643	0.6
147.04416	1.7
149.05978	1.5
153.12759	3.3
165.05582	1.3
188.72093	0.6
195.08096	0.8
213.09093	16.5
213.10989	1.1
251.12930	0.9
274.51520	0.6
311.09021	0.8
329.10245	2.4
345.09985	3.1
447.21597	0.9
463.21274	3.7
599.34082	2.4
600.34534	0.7
635.41046	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	634.3736
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.8
55.05520	0.8
57.07076	1.2
65.03944	0.9
67.05502	3.6
69.07066	1.9
70.85640	0.8
71.08624	0.3
73.65649	0.3
79.05495	8.4
81.07056	100.0
82.07386	1.6
91.05484	5.7
93.07040	10.6
95.04966	1.1
95.08605	11.0
97.06542	0.4
99.00808	0.5
105.07013	1.4
107.04954	0.3
107.08594	23.9
107.95351	0.3
108.08910	0.4
109.06548	0.7
109.10151	1.5
119.04943	8.9
123.11737	0.5
133.10107	0.2
135.11691	49.6
136.12059	0.5
137.13254	50.0
138.13556	1.4
147.04405	36.5
148.04781	0.5
151.11241	0.7
152.11516	0.4
153.12733	3.5
165.05518	0.7
169.12375	0.3
195.08044	0.2
213.07231	0.5
213.09103	5.4
293.08032	0.3
299.16406	15.3
311.09207	0.3
329.10434	0.6
362.42551	0.3
418.23145	0.3
463.21292	1.7
473.37015	0.4
541.50916	0.3
599.33429	1.0
634.39642	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.3416
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.6
55.05502	0.8
57.07067	1.5
65.03960	0.4
66.04706	0.3
67.05505	4.5
67.05857	0.2
69.07063	1.5
69.52413	1.7
69.52823	0.5
71.08623	0.4
78.13138	0.2
79.05489	5.9
81.07053	100.0
82.07384	2.4
83.04985	0.5
84.22166	0.2
91.05466	2.2
93.07040	3.6
95.04973	0.8
95.08604	11.1
105.07038	0.8
105.11064	0.2
106.71899	0.2
107.04950	0.7
107.08591	5.9
108.08923	0.5
109.06544	0.5
109.10149	3.3
111.08070	0.5
119.04944	2.0
119.08596	0.3
121.10149	0.3
123.04403	0.5
123.08050	0.4
123.11706	1.8
124.12061	0.3
133.10146	0.7
135.04410	1.3
135.11693	6.8
136.12073	0.4
137.02336	4.5
137.03380	0.3
137.13249	41.4
138.13576	1.4
139.03871	0.5
145.02827	0.5
147.03247	0.3
147.04402	5.8
147.05519	0.4
148.04753	0.5
149.09583	0.2
151.11176	2.9
152.11494	0.5
153.12762	1.9
161.06003	2.0
163.03903	13.9
165.05472	2.3
165.06769	0.4
169.12247	1.2
181.04956	2.3
181.09999	0.3
183.08075	0.3
189.05440	0.4
191.03331	0.7
207.06502	0.9
211.07547	0.3
213.09146	1.9
223.07414	0.3
229.08618	2.8
233.04431	4.1
237.05376	0.5
239.07091	0.3
247.07477	0.3
251.05310	1.4
255.06491	1.6
265.04907	1.3
271.08640	0.3
277.83484	0.2
281.07999	0.5
283.06006	4.3
297.06982	0.3
301.07068	1.3
308.63217	0.2
309.07596	0.7
313.06839	0.4
314.07416	0.7
325.06979	2.5
327.08548	0.4
341.06369	0.3
342.06757	0.3
343.08069	4.0
345.09503	0.4
361.09229	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	633.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18430	0.1
51.86591	0.1
52.01505	0.1
53.03944	0.3
55.01869	0.4
55.05500	0.7
57.03436	3.3
61.02925	0.6
63.02367	0.3
63.88221	0.1
69.03432	2.1
70.03230	0.3
70.03652	0.5
71.01360	0.2
71.04989	20.9
72.05337	0.2
73.02917	0.6
73.91698	0.1
75.04460	1.1
79.05502	0.4
81.03419	1.3
81.41198	0.1
81.64257	0.1
83.01341	0.2
83.04980	2.5
85.02901	26.8
86.03200	0.1
86.06065	0.3
87.04476	0.7
89.03909	2.7
95.04964	0.3
97.02882	2.3
98.06013	0.1
99.04475	0.8
103.03976	0.2
107.04964	1.0
109.02869	0.8
111.04451	1.4
112.95502	0.2
117.03370	3.4
117.04131	0.3
119.04955	0.2
122.72666	0.1
127.03906	2.0
127.04809	0.2
129.05469	8.0
135.04413	10.8
137.05943	0.3
145.02835	8.8
145.04819	1.2
146.86472	0.1
147.04417	0.4
147.06503	2.6
163.03894	100.0
164.04225	1.3
165.05458	0.3
177.05496	0.2
181.04956	1.3
186.05525	0.4
237.07590	0.4
255.08612	0.4
265.48438	0.2
279.78152	0.2
291.08606	0.6
307.08112	0.5
309.09592	1.6
325.09155	5.9
430.54218	0.2
435.12497	0.2
471.14905	0.5
476.25992	0.2
505.78214	0.2
633.19592	0.4
657.89197	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	633.1419
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03418	0.5
61.47093	0.2
69.03418	0.4
70.06573	0.3
71.04981	2.2
71.61688	0.3
83.04993	0.2
84.26791	0.2
85.02905	2.4
97.02905	0.3
99.04372	0.2
119.04977	0.2
127.03896	0.4
128.07072	0.2
133.35863	0.2
135.04404	0.5
145.02971	0.2
145.05008	0.2
147.04399	0.9
148.06525	0.2
163.03877	2.9
163.07585	0.2
185.04253	0.9
188.18742	0.2
206.86357	0.2
230.42400	0.2
243.08446	0.3
289.25940	0.2
303.04962	0.5
304.05627	0.2
306.69278	0.2
324.02359	5.1
325.03180	1.9
326.06659	0.5
331.09985	8.5
361.04227	0.2
381.01239	0.2
487.08478	0.9
519.53320	0.2
633.14215	100.0
634.14655	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.1791
Annotation	Pyranoamentoflavone 7,4'-dimethyl ether
Peak:m/z	Relative Intensity
55.01873	0.7
56.96550	2.4
57.03435	4.8
59.05009	0.7
61.02930	2.6
63.28107	0.4
67.57734	0.3
69.03437	3.8
69.55945	1.7
69.56374	1.5
70.06574	1.3
71.01331	0.4
71.04997	6.0
72.33065	0.4
73.02918	11.1
73.03307	0.9
74.03287	0.4
75.04467	0.7
81.03420	1.1
83.04961	0.6
84.04504	0.5
84.08156	0.5
84.96032	0.7
85.02901	15.7
86.03247	0.5
86.09711	0.7
87.04472	0.9
91.03945	0.6
91.05488	4.1
92.05830	0.7
93.07063	1.0
97.02891	6.0
98.97587	3.9
98.98135	0.5
99.04449	0.8
105.07034	0.7
107.04956	2.3
107.08582	0.8
109.02893	0.5
109.06483	0.5
109.10126	0.5
110.97553	0.6
111.04408	0.5
115.03930	3.0
116.98620	4.2
119.01935	2.1
119.04932	3.5
120.05264	0.6
121.06497	2.5
122.06873	0.4
123.04430	1.8
123.11758	0.6
127.03906	3.8
128.98579	2.1
129.05487	2.1
131.00185	1.8
131.01891	1.9
133.03458	0.6
133.04980	0.8
133.10164	0.7
134.99661	2.2
135.03271	0.5
135.04387	0.9
137.05969	1.9
139.03906	1.1
140.02263	0.6
143.00125	0.5
143.01909	1.5
145.03520	2.1
145.04977	1.8
146.99652	1.9
147.04396	0.5
147.06514	0.8
149.01210	2.3
151.04594	0.4
151.07530	2.5
151.11212	0.7
153.00607	1.0
154.08592	0.4
155.01854	0.8
157.03494	1.0
158.99638	2.0
159.05106	0.6
161.01241	1.9
161.02904	2.0
161.05943	0.7
162.99077	0.5
163.02716	0.8
163.03951	2.8
165.00645	0.5
166.93346	0.4
167.02133	0.9
169.03496	0.7
170.99667	1.1
173.01265	1.2
173.02986	3.1
174.03012	0.7
175.02820	0.9
175.04497	0.8
177.00726	3.0
179.02155	0.6
180.04607	0.4
185.01376	0.8
185.03008	1.9
187.02785	0.5
187.04512	1.2
189.00757	2.1
191.02290	1.2
191.03810	0.5
193.03656	0.4
195.01660	0.5
195.05110	0.4
197.01349	0.4
197.03065	0.9
198.03886	0.5
199.04549	0.8
201.00735	1.5
201.06075	0.9
203.02303	0.9
203.04070	1.3
205.05574	0.4
207.01791	0.6
207.05028	0.4
209.03012	0.7
211.02789	0.8
213.06047	0.7
215.02223	0.7
219.01749	4.1
219.04979	0.8
219.07047	0.7
220.02074	0.6
221.04938	1.9
222.05296	0.4
223.01065	0.5
223.04803	1.2
231.01884	0.5
231.05008	0.5
233.03326	0.5
237.02791	8.0
237.06259	1.3
241.02145	0.9
245.05113	2.2
247.04927	0.7
249.02682	0.4
249.06081	1.4
251.04427	0.5
251.06970	0.6
254.02829	0.6
255.04057	0.8
257.04779	2.0
258.05066	0.5
261.02924	0.6
261.06119	1.1
265.05838	0.4
267.07498	0.4
271.05869	0.5
279.03940	0.8
291.03906	0.5
299.04688	0.5
309.08688	0.8
314.05051	0.6
316.08157	0.5
317.09732	0.4
317.59549	0.5
321.08337	2.5
323.10025	0.7
325.09073	0.6
325.58551	0.6
335.09082	0.4
337.05573	0.8
337.08813	0.5
339.09122	1.3
350.06128	0.6
355.09326	0.6
357.10123	0.5
367.09039	0.6
373.07993	0.9
384.62100	0.4
385.62152	0.7
386.07590	1.1
386.12131	0.5
387.07986	0.6
392.12546	0.6
392.62469	0.4
400.12115	0.7
400.63040	0.9
401.12460	1.1
401.63394	0.9
402.12918	1.3
402.63342	0.5
417.13644	0.6
418.14987	0.8
441.12610	0.7
449.65012	0.6
450.13483	0.6
451.13480	0.6
451.64395	0.4
453.12680	4.1
454.12683	1.1
455.12927	0.6
457.64066	0.7
459.13965	0.7
459.64520	0.5
462.09860	0.9
463.10971	0.9
466.14233	0.6
466.64478	0.7
467.14514	0.9
469.09851	2.3
470.10385	0.9
471.13052	1.5
474.15234	0.5
478.67584	0.4
484.10583	0.5
501.13794	0.6
513.13928	0.6
601.15002	2.1
615.17334	0.6
633.17902	100.0
634.18262	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	632.3577
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.6
55.05507	0.6
57.07072	1.3
65.03938	0.5
67.05502	8.7
69.07068	0.9
69.87299	1.8
70.87224	0.3
71.08622	0.5
77.03936	0.4
79.05494	6.1
81.07055	100.0
82.07388	1.1
86.26704	0.3
91.05479	3.4
93.07030	2.2
95.04958	3.0
95.08606	12.8
105.07014	1.3
107.04958	4.7
107.08591	8.4
109.06528	2.6
109.10155	67.9
109.61686	0.3
110.10487	0.3
117.01743	0.4
119.04948	5.1
121.10140	1.1
123.08044	0.6
123.11703	7.5
125.09640	0.3
133.10132	3.7
135.11702	1.8
137.13252	52.7
138.13612	1.1
139.11151	0.4
145.06496	0.5
147.04404	6.5
151.11180	42.2
152.11481	0.4
153.12726	0.3
162.58649	0.3
164.03209	0.3
165.41211	0.3
167.08586	0.3
167.10710	0.9
169.12238	9.5
213.09108	20.6
214.09537	0.5
221.11577	0.6
237.09109	0.8
247.07504	0.4
249.11230	1.1
265.08746	0.5
267.12381	2.2
293.08090	0.5
311.09131	3.9
329.10126	3.1
461.19357	0.9
479.20483	1.1
632.51880	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	632.357
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.7
55.05508	0.8
56.82492	0.2
57.07071	2.5
57.83504	0.2
59.04988	0.4
59.26824	0.2
60.73263	0.2
65.03940	0.4
67.05499	4.9
67.48111	0.2
69.07066	0.9
71.04974	0.3
71.08609	0.2
71.22719	0.2
75.07610	0.2
79.05484	5.1
81.03441	0.3
81.07048	100.0
82.07384	1.4
83.08607	1.8
91.05469	1.4
91.73188	0.2
92.05807	0.2
93.07037	1.5
95.04948	1.0
95.08597	12.1
96.08945	0.5
98.20789	0.6
99.04481	0.5
105.07003	1.4
107.04961	0.6
107.08588	7.5
109.06501	4.3
109.10148	7.8
111.08071	1.0
119.04936	1.3
121.02875	0.3
121.10111	2.0
123.08087	1.6
123.11693	42.6
133.10123	2.1
135.11710	0.8
137.13240	46.4
138.13582	1.1
142.70018	0.2
147.04410	1.5
151.11166	32.8
152.11514	0.2
169.12224	5.9
192.24620	0.2
213.09030	1.9
223.07568	0.5
224.07843	0.3
229.27184	0.2
234.06337	0.3
237.09052	0.5
247.07690	0.3
249.11201	17.1
251.06981	1.0
252.07390	0.4
261.89050	0.2
265.08569	0.7
267.12347	1.2
269.08029	0.7
270.08282	0.7
293.08054	1.9
295.05984	0.3
311.08951	0.4
313.07010	1.3
313.10068	0.3
314.07327	1.4
329.10214	0.3
341.06607	0.4
342.06903	0.5
365.68582	0.3
461.19547	6.8
479.20639	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	632.3575
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.6
55.05502	0.7
57.07063	1.1
62.13888	0.2
65.03942	0.8
67.05499	4.8
69.07058	0.8
69.43565	0.7
69.43979	1.4
71.08617	0.5
79.05486	5.7
79.05953	0.3
81.07051	100.0
82.07394	1.3
91.05472	3.3
93.07049	1.1
95.04971	1.1
95.08601	11.7
96.75488	0.2
98.20730	0.3
105.07030	0.8
107.08579	5.8
109.06517	1.3
109.10147	27.7
119.04935	8.2
121.10094	0.7
123.11726	1.6
125.09631	0.4
133.10100	1.3
135.11728	0.5
137.13245	50.3
138.13594	0.6
139.11147	0.4
147.04396	71.2
148.04739	0.8
149.09528	0.3
151.11169	18.7
165.05495	0.4
167.10635	0.6
169.12224	6.4
187.98781	0.3
189.29465	0.2
213.09048	0.3
281.17557	0.2
281.35504	0.2
310.19745	0.2
315.15863	5.1
329.10110	1.0
461.19196	0.6
479.20303	0.5
505.96161	0.3
506.89716	0.2
537.24225	0.2
619.37476	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	632.3577
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.6
55.05503	0.6
57.07077	1.0
61.76404	0.3
62.20208	0.3
62.89352	0.3
65.03951	1.0
66.04711	0.3
67.05502	5.2
68.89630	0.3
69.07053	1.5
71.04987	0.3
71.08675	0.3
71.60750	0.3
75.11546	0.3
79.05486	5.6
81.07056	100.0
82.07374	1.9
83.05029	0.4
91.05474	3.1
92.05811	0.4
93.07061	2.3
94.07401	0.5
95.04984	1.0
95.08606	11.8
96.08948	0.5
105.07042	1.0
106.29176	0.3
107.04981	0.4
107.08585	4.8
108.08928	1.0
109.06532	1.4
109.10157	15.5
110.10483	0.4
119.04939	5.9
120.05299	0.4
121.02859	0.3
121.10140	0.8
123.08052	0.5
123.11707	1.9
124.11987	0.4
124.40894	0.3
125.09650	0.9
126.09977	0.5
131.08595	0.4
133.10141	1.3
135.11711	2.7
136.12057	0.5
137.13254	53.1
138.13550	1.6
139.11154	0.5
145.06497	0.3
147.04407	54.1
148.04738	2.0
149.09642	0.6
151.11176	6.3
152.11557	0.5
153.12747	0.6
165.05524	0.5
167.10675	2.1
168.11090	0.6
169.12254	1.1
213.09085	0.6
214.78130	0.3
246.65088	0.3
311.09488	0.4
315.15814	0.8
479.20892	0.5
519.75854	0.3
566.92407	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	632.3577
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.6
55.05503	0.6
57.07077	1.0
61.76404	0.3
62.20208	0.3
62.89352	0.3
65.03951	1.0
66.04711	0.3
67.05502	5.2
68.89630	0.3
69.07053	1.5
71.04987	0.3
71.08675	0.3
71.60750	0.3
75.11546	0.3
79.05486	5.6
81.07056	100.0
82.07374	1.9
83.05029	0.4
91.05474	3.1
92.05811	0.4
93.07061	2.3
94.07401	0.5
95.04984	1.0
95.08606	11.8
96.08948	0.5
105.07042	1.0
106.29176	0.3
107.04981	0.4
107.08585	4.8
108.08928	1.0
109.06532	1.4
109.10157	15.5
110.10483	0.4
119.04939	5.9
120.05299	0.4
121.02859	0.3
121.10140	0.8
123.08052	0.5
123.11707	1.9
124.11987	0.4
124.40894	0.3
125.09650	0.9
126.09977	0.5
131.08595	0.4
133.10141	1.3
135.11711	2.7
136.12057	0.5
137.13254	53.1
138.13550	1.6
139.11154	0.5
145.06497	0.3
147.04407	54.1
148.04738	2.0
149.09642	0.6
151.11176	6.3
152.11557	0.5
153.12747	0.6
165.05524	0.5
167.10675	2.1
168.11090	0.6
169.12254	1.1
213.09085	0.6
214.78130	0.3
246.65088	0.3
311.09488	0.4
315.15814	0.8
479.20892	0.5
519.75854	0.3
566.92407	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	632.3577
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.6
55.05503	0.6
57.07077	1.0
61.76404	0.3
62.20208	0.3
62.89352	0.3
65.03951	1.0
66.04711	0.3
67.05502	5.2
68.89630	0.3
69.07053	1.5
71.04987	0.3
71.08675	0.3
71.60750	0.3
75.11546	0.3
79.05486	5.6
81.07056	100.0
82.07374	1.9
83.05029	0.4
91.05474	3.1
92.05811	0.4
93.07061	2.3
94.07401	0.5
95.04984	1.0
95.08606	11.8
96.08948	0.5
105.07042	1.0
106.29176	0.3
107.04981	0.4
107.08585	4.8
108.08928	1.0
109.06532	1.4
109.10157	15.5
110.10483	0.4
119.04939	5.9
120.05299	0.4
121.02859	0.3
121.10140	0.8
123.08052	0.5
123.11707	1.9
124.11987	0.4
124.40894	0.3
125.09650	0.9
126.09977	0.5
131.08595	0.4
133.10141	1.3
135.11711	2.7
136.12057	0.5
137.13254	53.1
138.13550	1.6
139.11154	0.5
145.06497	0.3
147.04407	54.1
148.04738	2.0
149.09642	0.6
151.11176	6.3
152.11557	0.5
153.12747	0.6
165.05524	0.5
167.10675	2.1
168.11090	0.6
169.12254	1.1
213.09085	0.6
214.78130	0.3
246.65088	0.3
311.09488	0.4
315.15814	0.8
479.20892	0.5
519.75854	0.3
566.92407	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.3263
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61147	0.3
53.03939	0.6
55.01865	0.7
55.05502	1.9
57.03441	0.6
57.07072	1.7
59.05006	2.9
61.02924	0.5
65.03953	0.8
67.05504	4.7
69.03422	4.9
69.07061	2.6
71.04993	1.8
74.09704	0.3
79.05489	8.6
79.05947	0.4
81.07053	100.0
82.07390	1.1
83.04979	6.7
83.08597	0.4
91.05481	5.1
93.07040	6.9
95.04972	1.1
95.08604	16.8
96.08973	0.3
97.06526	10.0
97.07144	0.7
97.10179	0.5
99.00789	0.6
103.05468	0.4
103.73550	0.3
105.07029	2.8
107.04969	2.0
107.08591	26.7
109.06509	9.7
109.10155	6.4
111.08081	0.5
111.48930	0.4
119.04953	4.4
119.08567	0.4
121.02848	0.6
121.10136	14.3
123.08057	5.4
123.11689	1.6
125.06018	1.7
125.09624	74.0
126.09911	0.8
131.08565	1.9
133.10118	1.1
135.11710	2.4
137.13251	45.4
138.13557	0.6
139.11172	45.0
140.11507	0.4
143.10614	0.4
145.06483	0.5
147.04382	6.6
149.09618	15.4
151.11186	2.8
160.84065	0.3
167.10670	83.0
168.11035	1.1
169.12251	2.0
180.13828	0.5
185.11711	1.2
208.13374	0.7
213.09070	4.2
213.52072	0.3
237.09039	0.4
265.10760	4.4
283.09460	0.5
293.07983	0.8
311.09375	0.5
313.14322	0.5
313.27518	0.7
331.15469	0.8
401.23016	1.0
419.23929	0.6
433.29175	0.3
477.18698	1.3
495.19815	0.5
631.37231	0.6
645.58331	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.3268
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.9
55.01860	0.4
55.05506	0.8
57.07076	1.7
59.05011	0.6
65.03929	0.6
67.05508	4.5
69.07055	1.6
69.43148	0.4
69.51894	1.6
69.52332	1.7
70.17702	0.3
71.04977	0.4
79.05496	7.2
81.07056	100.0
82.07384	1.1
83.04977	0.8
91.05466	4.2
91.05915	0.4
93.07049	6.8
95.04964	1.1
95.08607	13.2
97.06541	0.9
103.05486	0.5
105.07024	2.7
107.04968	0.9
107.08595	14.8
108.08916	0.9
109.06532	1.8
109.10162	6.1
119.04934	5.1
121.10139	2.7
122.33820	0.4
123.08096	1.2
123.11709	2.8
125.09624	2.6
131.08563	0.7
133.10159	2.7
135.11691	11.0
136.12045	1.0
137.02391	1.0
137.13254	48.4
138.13580	0.6
139.11137	2.1
147.04405	15.5
148.04776	0.4
149.09627	1.8
151.11172	8.1
153.12723	2.2
160.05231	0.8
161.06010	1.7
163.03961	1.4
167.10677	6.0
169.12274	1.2
187.03984	0.8
195.08038	0.4
205.04956	1.7
205.06583	1.3
213.09143	3.0
221.06203	0.7
223.07549	6.9
231.02876	1.0
233.05994	3.4
249.05589	1.3
251.07027	10.4
252.07199	0.6
253.08556	0.6
267.06577	1.0
269.08096	5.7
277.04971	2.4
279.06552	1.6
283.11966	0.6
293.08276	0.6
295.05997	6.6
297.07629	3.9
311.09109	0.7
313.07059	23.7
314.07291	0.6
323.05664	1.5
325.07138	0.5
331.15500	0.9
341.06570	14.3
359.07706	1.8
419.24237	1.1
477.19083	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	630.3694
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.0
55.01858	3.3
55.05263	2.0
55.05510	19.2
57.03430	2.3
57.07076	5.8
57.68754	1.0
60.09946	0.9
61.02927	1.1
61.12268	0.8
61.24964	0.9
61.57925	0.8
65.03941	1.8
67.05173	1.3
67.05501	24.0
69.03425	14.6
69.07065	35.5
70.06557	1.2
71.04997	8.8
71.08614	1.3
71.59755	1.8
73.02924	1.3
79.05489	12.2
81.03416	24.9
81.07050	38.9
81.07519	2.0
83.04978	4.8
83.08613	23.2
85.02900	26.2
85.06540	4.8
91.05474	11.3
93.07036	19.5
95.04955	4.3
95.08599	38.6
97.02889	11.9
97.06526	6.8
97.10167	21.1
99.04455	6.0
99.08084	4.1
103.05478	0.9
105.07027	9.6
106.04134	0.9
107.04934	4.1
107.08597	14.8
109.02872	26.9
109.06494	2.7
109.10145	18.9
111.04427	6.5
111.08053	4.0
111.11731	9.4
113.05984	0.9
113.09628	1.4
115.05435	1.3
117.06971	2.0
119.04924	2.1
119.08572	11.8
121.06486	2.9
121.10136	20.3
123.04387	1.7
123.08053	3.3
123.11682	8.4
125.09601	2.8
125.13221	1.9
127.03914	34.3
129.06995	1.6
131.04929	2.8
131.08565	2.3
133.06483	1.0
133.10127	14.2
135.04355	1.7
135.11685	16.3
135.85683	0.9
136.06224	1.0
137.05963	9.3
137.09589	3.1
137.13263	5.3
139.11172	4.2
143.08577	1.5
145.02780	1.3
145.04901	2.7
145.06483	1.7
145.10110	3.2
147.04369	5.9
147.08025	2.1
147.11673	10.2
149.05959	2.4
149.09628	2.0
149.13205	4.3
151.03874	2.4
151.11163	4.2
151.14775	3.0
153.12726	4.0
155.10660	1.3
157.06502	1.3
159.11681	2.0
161.05936	1.9
161.13234	8.5
163.03897	6.7
163.07448	1.0
165.09088	1.0
165.12762	3.6
167.07037	8.3
168.07361	1.0
173.13292	1.1
175.07539	1.0
175.14772	3.7
177.05583	1.0
177.16216	1.3
179.14307	2.3
181.04999	7.4
181.08568	1.0
182.05272	1.6
191.14096	1.0
193.19537	2.2
193.51077	0.9
198.46141	0.9
201.05592	1.0
201.37833	0.9
209.08081	2.5
215.17912	1.7
217.19525	13.4
218.48555	1.1
233.08102	2.7
233.18988	1.7
235.20557	19.5
251.07056	1.1
251.20082	2.4
253.21626	25.0
263.06924	1.0
271.22678	14.3
275.20114	1.2
279.10233	2.3
289.23676	3.3
295.22455	1.9
303.04883	2.0
315.22934	1.2
319.22742	1.6
323.09201	2.1
325.21786	1.5
339.12326	1.2
343.22791	5.1
355.11914	1.6
361.23642	21.6
369.13382	1.8
379.24771	53.9
387.14444	1.8
397.25833	100.0
398.26041	1.2
415.26901	43.0
433.28015	3.7
499.80914	1.1
595.20746	1.1
630.24103	1.9
631.25226	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	631.3262
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	0.6
55.63067	0.4
56.22472	0.4
56.95173	0.4
56.96563	0.5
64.28423	0.4
65.03936	1.3
67.05492	1.7
69.07061	0.6
71.04995	0.4
71.59334	0.7
77.62902	0.3
79.05499	2.0
81.07066	4.3
85.02921	0.4
89.03904	0.6
91.05481	9.5
93.07041	9.0
94.24805	0.4
95.04942	0.8
95.08609	1.7
105.07004	1.3
107.04964	1.1
107.08596	14.4
109.10159	4.4
109.28039	0.4
110.16996	0.5
117.03385	0.9
119.04941	18.5
121.10146	0.5
126.91537	0.4
133.10124	1.1
135.04378	1.4
135.11688	17.9
137.05888	0.5
137.13261	1.2
143.08611	0.5
145.02838	1.0
145.10126	0.4
147.04407	100.0
148.04784	1.9
151.11177	1.6
153.12794	1.0
163.03903	14.0
165.05511	0.8
177.05562	0.5
181.05032	0.8
213.09091	1.8
246.05083	0.4
299.16412	2.9
315.15851	0.6
475.35687	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.2592
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.5
54.46005	0.2
55.01860	0.5
55.05494	0.4
60.16481	0.2
65.03955	0.3
65.21218	0.3
67.04427	0.2
67.05488	0.7
69.03413	0.3
71.04958	0.3
71.59353	0.4
78.04710	1.4
79.05483	2.2
81.03397	0.7
81.07050	1.2
85.02898	0.8
86.09660	0.2
91.05495	1.4
93.07054	1.2
95.04946	1.0
95.08581	0.5
97.02872	0.3
103.05463	0.6
105.03387	0.3
105.07027	1.5
106.04142	0.9
107.04964	2.2
107.08601	0.6
109.02839	0.4
109.06474	0.3
109.10211	0.3
111.04462	0.2
115.05410	0.3
117.07001	0.5
119.04896	0.4
119.08588	0.3
121.06498	0.6
122.03674	0.3
123.04418	4.5
123.08085	0.3
124.05201	2.1
125.06002	0.4
129.07048	0.3
131.08574	0.4
133.06462	1.1
133.10081	0.3
135.04442	0.4
135.11673	0.2
137.05949	1.0
139.07387	0.3
145.06483	1.3
147.04399	0.9
149.05968	1.0
151.03899	0.9
151.07547	0.5
152.04660	1.8
153.05470	0.3
161.05981	1.2
163.03909	0.9
165.05540	0.3
167.07025	100.0
168.07343	4.2
169.07561	0.5
173.05951	1.6
175.07520	0.4
177.05466	0.3
179.07083	0.4
181.04883	1.4
181.08537	1.1
187.07526	0.5
190.06239	0.5
193.08607	4.6
199.07503	0.3
205.08595	2.3
209.08092	0.7
211.09647	4.4
213.02382	0.3
217.08502	1.2
219.10094	0.6
235.09637	0.6
247.09717	0.4
249.11377	0.3
265.15225	0.2
269.08173	0.3
276.08139	0.3
291.10284	0.3
315.08517	0.5
330.11017	1.3
339.12265	0.3
349.42126	0.3
357.13522	0.4
383.14749	0.6
401.15924	0.6
402.12973	0.4
417.15527	0.3
418.15912	0.8
419.16089	1.5
582.50989	0.3
593.23151	0.3
599.23401	0.5
611.24127	0.8
629.32477	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	630.3423
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.4
55.05505	0.5
57.07074	1.1
65.03930	0.5
67.05500	3.9
69.07066	1.2
70.95934	0.4
71.08626	0.3
79.05489	5.1
79.05958	0.3
81.07051	100.0
82.07382	1.0
91.05466	0.2
93.07029	0.8
93.27572	0.2
95.04961	0.4
95.08603	12.6
96.08925	0.2
103.05454	0.3
105.07019	0.3
107.04990	0.2
107.08582	0.4
109.10165	1.0
117.06990	0.2
119.04951	0.3
121.02847	0.4
121.10162	0.3
131.04907	0.3
131.08620	0.2
135.11662	0.4
137.13246	46.3
138.13585	0.6
147.04399	1.1
151.11156	0.4
153.73160	0.1
157.06471	0.2
159.04332	0.2
159.06754	0.2
163.11111	0.2
174.05476	0.2
175.03894	0.2
181.06503	0.1
183.04460	0.2
185.05933	0.4
191.98602	0.1
195.07925	0.2
197.05954	0.2
200.03447	0.2
202.04965	0.2
202.08540	0.1
203.05772	0.4
218.04431	0.1
220.06042	1.0
222.08977	0.1
223.07448	0.2
245.55792	0.2
246.03896	0.2
248.06967	0.2
264.04962	1.1
267.31519	0.1
276.06262	0.2
277.21533	0.5
294.07462	0.2
312.08496	0.3
323.16544	0.7
340.08237	0.8
341.17474	2.6
358.05017	0.2
358.09201	2.9
359.18475	1.0
405.24063	0.3
441.26190	0.8
476.20425	0.2
494.21503	0.7
495.30676	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	629.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64490	0.1
52.98479	0.1
53.03939	0.3
55.01869	0.2
55.05483	0.2
57.03437	0.2
65.03931	0.4
67.05500	0.3
69.03402	0.3
69.07050	0.2
71.04974	0.5
71.59486	0.1
72.23879	0.1
78.04712	1.4
79.05492	1.2
79.70076	0.1
81.03409	0.5
81.07040	0.4
85.02898	1.1
87.04520	0.1
91.05465	1.0
93.03400	0.2
93.07030	0.4
95.04985	0.6
95.08590	0.1
97.02911	0.2
103.05461	0.4
105.03400	0.2
105.07037	0.9
105.43728	0.1
106.04150	0.9
107.04958	1.8
109.02852	0.3
109.06508	0.2
111.04439	0.2
111.08087	0.1
115.05453	0.4
116.98718	0.1
117.07005	0.4
118.04135	0.2
119.04947	0.3
121.02896	0.2
121.06500	0.5
122.03612	0.3
123.04430	3.9
124.05205	1.5
125.05974	0.2
127.03925	0.2
129.06998	0.2
131.04880	0.2
131.08568	0.2
133.06490	1.1
134.03616	0.2
135.04385	0.3
137.05988	1.2
139.07568	0.2
141.06877	0.2
144.05692	0.2
145.06491	0.7
147.04370	0.4
149.05986	1.1
151.03885	0.8
151.07585	0.2
152.04675	1.5
153.05440	0.2
155.07039	0.2
156.05653	0.4
159.08049	0.3
161.05972	1.3
163.03928	0.9
165.05531	0.3
166.06189	0.1
167.07036	100.0
168.04317	0.1
168.07367	2.6
169.07617	0.1
173.05992	1.5
175.07504	0.3
177.05461	0.2
179.06998	0.5
180.07884	0.2
181.04980	2.0
181.08562	1.2
182.05252	0.1
187.07545	0.4
190.06264	0.7
191.07111	0.2
193.06827	0.2
193.08603	5.1
194.08795	0.2
195.06563	0.2
197.08211	0.1
203.07066	0.2
205.08598	2.2
209.08047	0.5
210.08856	0.4
211.09659	4.6
217.08627	1.3
219.10127	0.7
221.08112	0.9
234.06621	0.1
235.09636	0.6
236.04796	0.1
237.11063	0.1
247.07491	0.2
247.09749	0.3
249.11299	0.2
263.06995	0.2
263.10770	0.1
265.10751	0.3
267.06537	0.2
269.08112	0.3
279.10223	0.2
293.07953	0.2
307.09613	0.1
309.17136	0.2
315.08655	0.9
325.11023	0.2
327.18481	0.2
330.11032	1.7
339.12332	0.2
343.11789	0.4
351.12222	0.2
357.13278	0.2
368.13107	0.1
371.14923	0.3
383.14902	1.1
401.15991	0.8
402.13239	0.3
403.13458	0.2
419.15985	0.2
431.16910	0.4
556.22034	0.2
565.89984	0.1
581.23889	0.2
599.21625	0.5
611.24683	0.8
629.24371	0.4
629.74347	0.3
650.75378	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	628.4204
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62977	0.4
53.03934	0.9
55.01860	0.8
55.05505	2.9
57.03428	1.2
57.07063	1.8
58.97824	0.5
65.03932	0.5
67.05164	0.9
67.05501	10.5
69.07070	3.7
71.08626	1.9
71.34370	0.4
71.61116	0.8
79.05486	9.2
80.05828	0.5
81.03415	0.9
81.07053	100.0
82.07403	2.5
83.08620	1.5
84.75480	0.4
89.06055	0.5
91.05474	4.7
92.05807	0.8
93.07041	5.4
95.04966	1.6
95.08603	17.1
96.08932	1.2
97.06509	0.9
97.10175	0.6
99.08118	1.5
105.07031	3.8
107.04947	1.0
107.08582	3.6
108.08883	0.7
109.06499	0.6
109.10152	3.1
110.10457	0.6
117.07019	1.0
118.07409	0.7
119.04958	1.1
119.08557	3.6
121.10154	1.6
123.08149	0.5
125.09626	0.8
129.07007	0.6
131.08559	1.8
132.08908	0.8
133.10144	2.2
135.11678	1.6
136.12047	0.6
137.09642	1.6
137.13249	43.2
138.13631	1.0
143.08609	0.8
145.10117	1.2
146.10515	0.5
147.04399	6.6
147.11681	1.4
149.09599	0.9
149.13280	0.7
151.11200	1.6
157.06429	0.5
157.10191	0.7
159.11711	1.1
165.12804	0.6
171.11734	0.7
173.13290	0.8
173.44128	0.5
177.12798	0.6
183.04427	1.6
183.11780	0.5
185.06000	1.2
185.13150	0.8
195.13846	1.2
197.06000	1.8
209.05898	0.5
211.07597	0.8
223.07520	0.5
259.20749	0.6
267.01086	0.7
275.20081	3.0
276.20544	1.6
279.14407	0.5
293.18051	0.4
293.21100	8.6
295.13425	1.0
301.14380	1.6
307.13354	0.7
313.14429	1.4
325.14072	0.6
335.25851	1.9
336.26294	1.4
349.24084	0.7
350.23880	1.0
393.68515	0.5
403.22769	2.2
421.23724	10.1
422.24130	0.7
439.24713	7.1
457.25760	3.8
536.41479	0.6
610.45361	4.3
628.46613	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	628.3173
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14268	2.1
53.92998	1.8
57.03432	14.5
59.04994	5.5
61.02913	3.3
65.03938	2.0
69.03072	3.6
69.03434	56.2
69.47415	3.8
69.47828	13.3
71.05000	3.3
72.08143	2.2
73.02908	4.8
75.04473	4.9
79.05457	4.5
81.03415	4.7
81.06573	3.9
81.07056	68.2
85.02905	98.0
85.82101	2.0
87.04466	45.2
88.36681	2.0
91.03957	3.3
91.05478	2.6
93.07069	4.0
95.04910	2.2
95.08593	7.0
97.02888	65.6
97.03513	3.7
99.04446	4.8
105.07059	2.1
109.02889	5.8
112.51241	1.9
115.03927	91.8
119.04964	3.4
122.33405	2.0
123.04417	4.8
124.03966	4.0
127.03925	18.2
129.05551	2.0
132.46364	1.8
133.04962	100.0
137.05995	3.7
137.13289	19.0
145.04958	43.3
147.04384	7.3
148.04784	2.3
149.05887	2.5
163.03876	8.5
163.06021	27.0
167.07039	11.0
168.07381	3.2
223.06093	3.2
259.08121	14.4
277.09134	3.5
295.10223	19.8
319.03741	2.4
325.11319	22.2
628.24902	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	628.3175
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09014	0.8
53.03937	1.8
55.01875	1.6
55.05509	1.3
57.03436	13.7
57.07072	1.3
59.04980	1.5
61.02927	7.1
67.05499	3.6
69.03429	22.3
69.07055	3.2
69.65623	7.1
71.01347	1.7
71.04990	4.0
73.02914	28.1
78.04700	0.9
79.05485	5.7
81.03432	5.3
81.07054	100.0
83.04978	1.1
83.08632	1.4
85.02903	66.1
87.04463	7.1
91.03952	3.3
91.05477	3.6
91.89240	0.9
93.07012	1.3
93.92638	0.9
95.04973	2.1
95.08607	10.6
97.02892	40.8
98.21441	1.8
99.04465	3.6
103.03912	1.1
105.07012	2.1
107.04949	1.4
107.08545	1.1
109.02855	5.3
109.10139	1.7
111.11713	2.5
115.03930	32.7
118.51788	0.9
119.04962	2.5
121.06458	1.5
121.10102	1.6
123.04453	1.9
127.03915	22.7
133.04970	21.3
135.04463	1.0
135.11714	1.9
137.05930	4.3
137.13251	27.8
141.02126	0.8
145.04958	40.6
147.04408	4.3
148.04762	3.8
151.07516	1.2
153.05429	1.1
155.14302	3.5
161.05954	1.1
163.03877	3.8
163.06003	18.8
163.07375	1.6
167.07040	14.4
168.07373	2.9
177.05434	1.3
181.04950	3.9
205.19559	0.9
223.06032	2.3
241.07108	4.8
259.08060	6.5
289.09247	1.1
294.09338	1.0
295.10281	10.6
317.06354	1.0
325.11362	7.1
327.25311	3.1
345.26303	1.1
418.15707	2.0
628.24170	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	627.4617
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.8
55.01875	8.7
55.05270	1.7
55.05513	25.3
57.03421	7.4
57.07040	2.6
65.03924	3.7
67.05501	70.0
69.03430	3.0
69.07066	21.5
70.29831	5.2
70.30226	3.9
71.04961	3.2
71.08634	2.1
79.05489	53.7
81.03419	3.6
81.07052	100.0
83.04958	6.4
83.08620	12.9
85.06512	4.0
91.05475	39.7
93.07040	61.1
94.67435	1.7
95.04977	10.7
95.08605	54.5
97.06522	15.4
97.10159	7.2
99.08042	2.0
105.04459	2.4
105.06380	3.0
105.07027	33.9
107.04940	11.6
107.08587	38.3
109.06507	7.2
109.10152	22.6
111.08078	3.4
117.07033	11.6
119.04929	5.1
119.08564	29.4
121.06475	2.4
121.10126	22.6
123.08052	4.9
123.11703	6.4
125.09633	6.2
129.06998	4.9
131.08559	20.3
133.10136	23.0
135.08069	3.9
135.11670	23.1
137.09593	3.1
137.13243	13.8
143.08557	6.8
145.10101	18.9
147.04410	12.6
147.11665	17.4
149.09581	11.1
149.13272	6.2
151.11128	2.7
155.08522	3.9
157.10095	8.2
159.08064	2.2
159.11708	12.9
161.13243	7.9
163.11182	4.1
165.09126	2.1
165.12756	3.6
169.10133	3.5
171.11665	6.8
173.11913	2.4
173.13167	8.3
175.11194	2.6
181.10031	1.8
183.11682	5.4
185.13231	6.1
187.14807	4.1
189.11165	2.4
196.67334	2.3
197.13176	3.1
199.14743	2.8
201.16441	2.4
207.91734	1.8
211.14862	3.7
215.17859	2.0
227.12756	2.4
239.18073	1.9
241.19514	2.3
247.20651	2.4
257.18951	5.5
259.20596	2.6
261.22116	6.5
267.15814	1.9
275.20053	43.7
285.16382	2.1
293.21106	6.8
317.24738	2.5
331.22971	2.2
332.50366	2.3
333.24045	3.2
335.25769	31.2
349.23712	20.0
490.50339	2.0
515.37067	2.7
517.40247	2.1
529.38892	3.9
535.41705	3.9
553.42883	3.0
609.45172	42.3
627.36700	3.0
627.46283	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	628.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21375	0.6
53.03963	1.2
55.01868	1.5
57.03437	19.8
59.05002	0.7
61.02924	12.0
65.03960	0.7
69.03428	34.7
71.01372	3.7
71.05005	3.7
71.58750	1.0
72.33269	0.7
73.02917	46.5
79.87417	0.6
80.91238	0.6
81.03414	6.1
82.34844	0.6
85.02905	100.0
87.04463	3.5
91.03967	4.3
91.05479	8.6
93.07079	1.2
95.04978	1.1
97.02893	60.3
99.04447	4.7
103.03941	2.2
103.05486	0.7
105.07039	1.0
107.04932	1.2
109.02880	7.5
111.04414	0.9
115.03930	38.9
119.04934	4.9
121.06512	12.5
123.04413	1.4
127.03915	28.7
129.05547	1.1
129.06975	0.8
131.04922	0.8
133.04968	10.8
133.06464	1.2
135.04405	2.0
137.05975	94.0
138.06369	1.0
145.04959	46.9
147.04413	1.3
149.05966	4.4
151.07532	5.1
155.07034	19.4
157.06453	0.8
161.05992	3.2
163.03960	5.1
163.06017	21.8
163.07335	0.9
164.53352	0.6
165.05502	3.0
166.14133	0.7
167.07051	5.4
169.04976	0.6
173.06023	1.0
175.07541	2.4
177.05424	1.1
179.07031	8.0
185.06052	1.2
187.07568	1.5
189.05421	0.7
191.07002	1.8
193.04901	1.1
197.08078	1.1
199.06027	0.9
199.07683	0.9
203.07053	3.6
204.08627	0.7
205.04738	0.6
205.08611	1.6
217.08675	1.0
221.08121	3.0
223.06064	3.1
227.06940	0.8
233.08110	5.6
235.09698	0.8
237.02713	0.8
241.07022	6.7
245.08018	2.1
251.09218	5.9
259.08203	8.9
263.09137	6.2
269.04376	0.9
271.08197	1.0
281.10205	4.2
287.11234	1.2
289.09048	2.3
295.10223	22.5
299.11322	3.1
303.04944	1.7
304.05359	1.2
306.85043	0.6
317.12341	6.5
325.11307	11.8
359.07700	0.7
448.23193	1.0
466.24069	1.1
591.76373	0.7
628.30060	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1554
Annotation	Myricetin 3-rutinoside
Peak:m/z	Relative Intensity
53.03940	0.5
55.01861	0.5
57.03432	2.0
59.06113	0.4
61.02913	0.8
64.76289	0.2
65.03854	0.2
68.55445	0.2
68.99789	0.4
69.03435	1.5
70.73574	0.5
71.04991	11.7
73.02895	0.8
75.04460	0.6
81.03402	0.6
83.04943	0.5
85.02903	16.1
87.04436	0.4
87.39059	0.2
91.03973	0.2
91.05476	0.3
93.03354	0.3
95.04939	0.4
97.02877	1.6
99.04454	0.4
103.22110	0.3
107.04935	0.4
109.02862	0.7
111.04414	0.4
119.04942	0.4
121.02854	0.5
123.04435	0.4
125.02349	0.3
127.03900	1.0
129.05464	4.2
135.04399	0.2
137.02350	3.2
137.05911	0.3
139.00313	0.3
145.04907	1.0
147.04402	2.6
147.06480	1.4
148.04727	1.1
151.00320	0.4
153.01823	1.7
161.05954	0.3
163.03894	0.4
163.75772	0.2
165.01811	0.5
169.01315	2.6
171.04437	0.4
179.03415	0.3
181.01306	1.1
185.00829	0.3
189.05457	0.4
195.02841	0.2
199.03931	0.6
203.03391	0.6
209.08194	0.2
217.04955	1.1
227.03380	0.4
229.04984	0.4
231.02950	0.3
245.04478	2.6
253.04994	0.3
255.02901	0.3
273.03909	2.9
274.04358	0.3
275.05426	0.3
283.02359	0.2
287.05533	0.4
290.04248	0.4
291.04642	0.2
299.05539	0.3
300.05762	0.3
301.03311	1.8
302.03705	0.4
303.05011	3.6
313.03491	0.2
317.06482	0.3
318.06787	0.3
319.04477	100.0
320.04816	1.8
446.18201	0.3
447.09006	0.4
465.10187	0.7
481.09683	0.8
497.36411	0.2
503.32205	0.2
521.62183	0.2
524.04004	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.4611
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07392	4.5
55.01859	9.6
55.05513	22.8
55.22697	4.9
57.03423	15.0
67.05497	67.9
69.07063	28.2
69.84518	28.9
79.05492	58.1
81.07053	78.9
83.08609	12.4
91.05492	38.8
93.07037	69.0
95.04965	10.1
95.08608	59.2
97.06532	21.0
97.10142	12.6
98.20834	7.3
99.08125	6.3
105.07039	41.4
107.04937	9.4
107.08602	44.7
109.10135	22.9
117.07019	22.4
119.08572	39.9
121.10119	23.1
123.08056	4.9
123.11688	8.6
128.06287	5.5
129.06978	12.8
131.08574	29.8
133.10115	20.6
135.08081	6.6
135.11679	17.7
143.08479	14.8
145.10114	38.6
147.11682	22.1
149.09621	20.6
149.13240	6.6
155.08472	6.9
157.10138	19.2
159.11650	25.6
159.26933	5.2
161.13242	12.1
169.10156	9.6
171.11679	15.1
173.13249	8.7
175.14787	7.3
183.11746	7.5
185.13214	17.5
187.14862	9.2
195.11639	9.6
197.13313	7.0
199.14830	6.5
203.14363	9.0
211.14920	8.7
219.17371	12.8
227.12772	9.8
239.17860	9.6
257.18994	15.2
259.20529	6.2
275.20081	43.6
319.87286	4.7
333.24274	7.3
335.25806	45.2
349.23682	25.9
476.30978	5.2
515.37415	7.7
517.40619	8.6
535.41241	11.6
553.42688	7.4
555.40454	32.8
609.35919	8.1
609.45007	88.8
627.46271	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	626.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	0.4
56.01358	0.2
57.03444	1.5
65.03921	0.5
69.03412	0.9
69.76563	1.8
71.04995	8.8
75.04464	0.5
81.03410	0.6
83.04970	1.0
85.02901	10.3
85.67587	0.3
89.03873	0.3
91.05479	4.8
93.19826	0.2
97.02891	1.2
99.53044	0.3
107.04991	0.6
107.47788	0.3
111.04433	0.4
119.04937	14.6
127.03941	0.5
129.04579	0.4
129.05469	2.9
130.50014	0.3
135.04419	0.6
137.05957	0.8
145.02827	0.4
147.04407	100.0
148.04741	2.7
149.05997	0.4
163.03899	4.8
164.09222	0.5
165.05510	1.0
167.07127	0.6
177.05736	0.4
181.05031	0.4
183.43427	0.3
192.19017	0.3
198.08057	0.2
201.83115	0.3
203.43613	0.3
207.74464	0.3
255.08714	0.3
263.09103	0.4
265.10434	0.3
269.33679	0.3
275.09232	1.7
293.10178	3.2
303.04816	0.6
309.09671	6.8
310.09766	0.3
317.06519	0.6
318.06946	0.6
325.09262	0.3
380.78629	0.3
401.11743	0.3
420.13470	0.3
437.14523	0.4
455.15533	2.5
589.89642	0.3
626.22803	3.7
627.23560	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	626.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	0.2
54.09042	0.2
55.05502	0.3
57.03432	1.7
61.02908	0.2
65.03944	0.4
69.03430	1.1
70.75212	0.3
71.04991	12.0
73.02910	0.3
75.04472	0.2
79.05508	0.2
81.03413	0.4
83.04961	0.8
85.02901	13.6
87.04481	0.3
89.03908	0.4
91.05477	4.1
97.02881	1.6
98.20850	0.2
99.04439	0.4
99.87790	0.2
103.03970	0.2
106.82122	0.2
107.04925	0.5
109.02866	0.2
111.04424	0.8
117.03394	0.6
119.04939	11.4
120.05263	0.3
127.03879	0.3
129.05478	4.1
135.04393	1.3
137.05902	0.4
145.02829	1.2
146.08133	0.2
147.04404	100.0
148.04736	2.0
149.05988	0.3
158.07185	0.2
161.05931	0.2
163.03900	16.7
164.04263	0.3
164.09169	0.4
165.05481	1.9
179.07068	0.2
180.68922	0.2
181.04948	0.3
189.05464	0.3
201.05531	0.2
205.04669	0.6
219.10115	0.5
221.08133	0.2
275.09100	0.8
291.08606	0.5
293.10168	2.3
301.10681	0.2
309.09665	5.8
310.10052	0.2
317.06577	0.2
318.91885	0.2
325.09128	0.9
337.53995	0.2
455.15546	1.0
626.22668	0.6
627.23755	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	626.244
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01167	0.1
55.05497	0.3
57.03438	1.7
59.04958	0.2
61.02917	0.2
65.03925	0.6
69.03416	0.7
69.55251	0.5
69.55665	0.8
70.06557	0.2
71.01362	0.2
71.04990	13.2
71.54709	0.1
73.02914	0.2
75.04468	0.5
81.03397	0.3
83.04974	1.2
85.02901	14.5
87.04443	0.5
91.05475	4.6
94.62313	0.1
97.02885	0.4
99.04434	0.4
105.19241	0.1
107.04940	0.5
109.02856	0.2
111.04446	0.7
119.04941	14.8
120.05253	0.3
127.03905	0.5
129.05478	5.1
135.04404	0.5
137.05983	0.6
145.02800	0.2
146.08110	0.3
147.04402	100.0
148.04739	2.0
149.05968	0.2
163.03906	2.9
164.09204	0.6
165.05486	0.6
189.05493	0.2
201.05659	0.2
212.00784	0.2
255.08578	0.2
257.08096	0.3
259.92944	0.2
275.09167	1.9
284.79175	0.2
291.08438	0.2
293.06882	0.2
293.10165	3.8
309.09695	5.0
318.06784	0.2
330.92639	0.2
437.14285	0.3
455.15683	0.5
626.23029	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	626.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	0.1
55.05513	0.2
57.03434	0.8
59.05022	0.1
60.04521	0.2
61.02932	0.1
62.01355	0.1
65.03925	0.8
69.03424	0.6
70.06021	0.3
70.06438	0.3
70.12730	0.1
71.04987	5.9
73.02473	0.1
73.02886	0.1
73.67033	0.1
75.04472	0.2
81.03416	0.4
83.04967	0.7
85.02896	6.1
87.04469	0.1
89.03010	0.1
91.05470	5.5
92.56276	0.1
95.04973	0.3
97.02888	0.2
98.20892	0.1
99.04459	0.2
107.04957	0.4
109.02872	0.3
111.04415	0.6
119.04932	17.8
120.05293	0.2
123.04425	0.1
127.03900	0.6
129.05476	1.8
131.04887	0.2
131.08572	0.1
131.86583	0.1
135.04362	0.1
137.05945	0.7
145.58014	0.1
146.08118	0.2
147.04396	100.0
148.04727	1.2
149.05971	0.3
151.03844	0.1
151.07487	0.1
153.05498	0.1
161.05989	0.3
163.03864	0.4
163.07465	0.1
164.09183	0.8
165.05502	0.5
167.07065	0.1
169.04889	0.2
171.04362	0.2
177.05490	0.2
179.06932	0.2
185.05971	0.1
189.05455	0.2
203.06941	0.1
207.06538	0.5
209.08012	0.2
237.07564	0.5
245.07976	0.2
247.09592	0.2
255.08595	0.6
257.07956	0.3
263.09113	0.3
273.07382	0.2
273.09845	0.2
275.09091	0.8
293.10092	1.8
303.05054	0.2
309.09653	3.8
401.12155	0.1
419.13248	0.3
427.13452	0.2
437.14273	0.2
455.15466	0.5
535.05981	0.1
649.84729	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	625.2124
Annotation	Forsythiaside
Peak:m/z	Relative Intensity
53.03929	0.5
55.01868	0.3
57.03436	1.8
61.02909	0.4
63.02386	0.3
65.54006	0.3
69.03436	3.0
69.41847	0.3
69.52098	2.2
70.06574	0.3
71.04993	10.6
73.02908	0.7
75.04469	0.5
81.03421	1.2
83.04953	0.5
85.02904	13.5
85.07627	0.3
86.03233	0.4
87.04452	0.4
87.05586	0.3
87.09224	0.4
89.03925	2.5
91.05469	0.9
97.02896	2.2
98.20762	0.3
99.04435	1.0
105.07055	0.4
107.04956	1.4
109.02888	0.4
111.04427	0.9
115.03912	0.6
115.05410	0.4
117.03377	3.6
119.04945	0.3
121.89277	0.2
123.04434	1.5
127.03941	1.5
129.05466	4.8
131.04922	0.4
135.03391	0.6
135.04413	9.9
137.05995	3.0
143.08545	0.3
145.02847	7.1
145.04980	0.9
145.06442	0.4
147.04402	0.6
147.06525	1.5
149.05916	0.7
151.07555	0.7
157.06516	0.5
161.06009	1.3
163.03902	100.0
164.04231	1.0
165.05469	2.2
167.06961	0.4
171.08185	0.3
175.03917	0.4
175.07545	0.5
177.05432	0.4
179.06979	0.9
181.04970	2.2
185.05962	0.6
187.07558	0.4
189.05530	0.4
191.03430	0.4
191.07030	0.4
193.04822	0.3
203.06978	1.0
207.06419	0.3
215.85732	0.3
217.08627	0.4
221.08110	0.9
227.07011	0.4
233.07986	0.4
245.08067	1.3
247.09641	0.3
263.09155	2.1
273.07581	1.4
281.10208	0.8
291.08615	1.5
299.11465	0.3
301.07104	0.6
309.09729	3.4
317.06540	0.8
317.10104	0.3
325.09152	6.6
325.12714	0.5
333.09720	0.3
342.58289	0.3
444.42300	0.3
453.13852	0.3
570.97778	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	0.3
57.03419	1.1
61.02900	0.3
64.24741	0.3
69.03120	0.2
69.03435	2.2
71.04637	0.4
71.04987	3.6
71.61483	0.5
74.38030	0.2
75.04440	0.3
76.97614	0.2
79.05491	0.5
81.03399	0.9
83.04987	0.4
85.02898	6.3
87.04440	0.5
89.03912	2.6
91.05471	0.7
96.04406	0.2
97.02888	3.5
99.04462	0.5
103.05473	0.4
105.07008	0.4
107.04947	1.4
109.02854	0.5
111.04496	0.3
115.05487	0.4
117.03374	4.0
119.04934	0.4
121.06513	0.2
123.04400	0.8
127.03895	0.6
129.05479	1.5
131.04936	0.6
135.04407	10.7
137.05986	1.7
145.02831	8.2
147.04404	0.8
147.06451	0.4
149.05937	0.7
151.07504	0.7
157.06392	0.3
161.05960	1.1
163.03891	100.0
164.04213	1.1
165.05530	1.6
166.24809	0.2
167.07014	0.6
175.07602	0.3
179.07031	1.4
181.04993	1.6
185.05981	0.3
186.05479	0.3
189.05507	0.3
191.07161	0.4
199.07637	0.4
203.06973	0.7
221.08051	0.6
233.08038	0.5
245.08038	1.0
245.12917	0.3
247.09639	0.6
251.09201	0.3
263.09174	1.7
265.06985	0.3
273.07565	0.4
281.10196	0.5
291.08557	0.3
307.08026	0.7
309.09692	2.5
317.06619	0.4
317.10284	0.3
325.09149	11.2
331.16492	0.8
367.74252	0.2
412.24649	0.3
461.14291	0.5
493.21677	0.7
625.25732	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2125
Annotation	Forsythiaside
Peak:m/z	Relative Intensity
50.66039	0.2
53.03946	0.3
54.93847	0.3
55.29708	0.3
57.03434	1.6
61.09382	0.3
64.67387	0.3
69.03428	2.3
71.01340	0.3
71.04601	0.6
71.04996	9.2
73.02921	0.5
75.04469	0.4
79.05506	0.8
81.03437	1.4
83.04973	1.1
85.02907	13.6
89.03920	2.8
91.05482	0.6
92.02615	0.3
92.29222	0.3
97.02893	2.7
99.04444	0.5
103.03873	0.3
105.06986	0.5
107.04955	2.8
111.04458	0.6
112.62132	0.3
117.03378	3.7
121.06539	0.4
123.04431	0.5
125.88116	0.3
127.03911	1.3
129.05481	3.2
129.06990	0.7
133.06538	0.5
135.04436	10.8
137.06013	2.8
139.06456	0.3
145.02855	8.3
145.06477	0.4
147.04433	0.9
147.06544	1.1
149.05959	0.7
151.07535	0.7
153.01855	1.7
157.06419	0.6
161.05956	1.6
163.03911	100.0
164.04233	1.0
165.05505	2.1
167.07001	0.6
168.60381	0.4
173.06038	0.6
175.03978	0.3
175.07585	0.6
179.07030	2.1
181.04932	1.4
181.06438	0.4
187.07640	0.5
189.05501	0.7
191.07016	0.7
199.07481	0.4
202.21626	0.3
203.07074	2.2
216.07799	0.4
217.04843	0.4
217.08618	0.5
221.08148	1.4
228.04202	0.3
229.05019	0.8
229.76344	0.3
229.78531	0.4
233.08057	1.3
245.08000	3.0
247.09711	0.5
257.04434	1.1
263.09149	3.7
265.07022	0.7
273.07443	0.4
274.04758	1.1
281.10269	1.1
285.03943	1.4
299.11307	0.9
302.04181	4.0
309.09647	3.1
317.06580	39.8
318.06784	0.7
325.09174	7.6
407.11145	0.4
443.13272	0.5
461.14560	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64038	0.3
53.03933	0.5
55.05503	0.5
57.03437	1.6
61.02914	0.6
69.03432	3.3
70.06585	1.1
71.04993	7.7
71.59749	0.4
79.05485	0.8
81.03399	1.2
83.04970	1.3
85.02905	12.5
87.04470	0.6
87.31854	0.3
89.03907	2.8
91.05457	0.8
93.06986	0.3
95.04978	0.4
97.02888	1.3
99.04474	0.7
105.07014	0.6
107.04947	1.3
109.02876	0.6
111.04433	0.9
115.08623	0.5
117.03372	5.0
119.04965	0.6
120.08145	2.0
121.06519	0.3
123.04401	0.7
123.66299	0.3
127.03087	0.3
127.03866	1.5
129.05470	2.8
129.06990	0.3
131.04953	0.4
133.06476	0.4
135.04411	11.6
137.05984	1.9
138.06435	0.3
139.03865	0.6
143.04930	0.7
145.02843	9.8
145.03990	0.5
145.04939	0.3
145.06502	0.7
145.60397	0.4
147.04413	0.8
147.06508	0.4
149.05997	1.1
151.07524	1.2
153.01851	2.3
157.06465	0.5
161.05981	1.0
163.03900	100.0
164.04222	1.5
165.05472	1.3
167.07063	0.5
175.03836	0.6
175.07582	0.5
179.07063	2.6
181.04927	1.3
189.05409	0.5
191.07034	0.5
199.07619	0.4
203.07019	1.0
205.04784	0.6
217.05028	0.4
217.08690	0.6
221.08160	1.6
229.04968	1.0
231.06670	0.3
237.07526	0.6
245.08086	1.2
246.05309	0.7
247.09695	2.1
257.04477	1.3
263.09149	1.3
264.84485	0.4
265.10748	0.7
273.03979	0.7
273.07437	0.8
274.04620	1.6
285.03986	1.2
302.04218	4.7
303.04721	0.4
307.08017	0.4
309.09650	1.9
317.06555	51.7
318.06973	1.0
325.09155	4.5
401.12372	0.4
436.17972	0.3
479.11475	0.4
625.22156	1.3
625.31549	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2117
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	0.4
57.03421	1.1
61.02904	0.4
69.03423	3.3
70.06560	0.6
71.04991	8.0
71.43799	0.5
73.02917	0.6
76.23106	0.3
79.05470	1.0
81.03400	1.3
83.04963	1.2
85.02901	11.9
89.03915	3.3
91.05482	0.8
95.04984	0.6
97.02887	1.4
98.89902	0.3
99.04439	0.5
103.05450	0.3
105.07012	0.5
107.04958	1.3
109.02881	0.8
111.04437	0.8
117.03369	4.8
119.04900	0.3
120.08100	2.4
121.02928	0.4
121.06491	0.4
123.04442	0.7
127.03897	1.6
129.05470	2.4
129.06961	0.5
131.04924	0.5
132.57259	0.3
133.06470	0.5
135.04411	14.4
137.05998	1.7
139.03839	0.8
145.02841	10.3
145.04765	0.6
147.04428	0.9
147.06511	0.6
149.05948	0.7
149.97305	0.3
151.03925	0.3
151.07555	1.5
151.08644	0.3
153.01794	1.9
157.06438	0.6
161.05959	1.2
163.03896	100.0
164.04257	2.1
165.05464	1.7
167.07059	0.8
173.05971	0.5
175.03732	0.5
175.07498	0.6
177.05455	0.8
177.95296	0.3
179.07033	2.0
181.04959	1.2
185.05975	0.5
186.05521	0.3
189.05469	0.6
191.06990	0.6
195.06569	0.3
201.05534	0.3
203.03378	0.5
203.07054	1.3
205.04749	0.3
207.06416	0.4
217.08678	0.3
219.10144	0.3
221.08063	1.1
223.06013	0.6
229.04968	0.9
237.07594	0.6
245.04306	0.3
245.08121	1.1
246.05191	0.8
247.09598	2.1
257.04459	0.6
263.09088	1.5
265.10892	0.7
273.04007	0.6
273.07373	0.6
274.04752	1.3
285.03940	1.3
291.08679	0.5
302.04218	4.7
309.09641	1.6
317.06552	42.3
318.06943	0.9
325.09152	3.6
625.22095	1.1
625.31689	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1759
Annotation	Isorhamnetin-3-Galactoside-6''-Rhamnoside
Peak:m/z	Relative Intensity
55.05479	0.3
57.03427	1.8
57.33349	0.2
61.02921	0.6
69.03413	1.0
70.17928	1.0
70.18335	0.6
71.01360	0.3
71.04990	10.6
72.71703	0.2
73.02895	0.4
73.52432	0.2
75.04465	0.9
75.36009	0.2
76.33698	0.3
81.03396	0.6
83.04957	0.6
85.02900	14.3
87.04462	0.5
90.56360	0.2
92.02630	0.4
93.03406	0.3
97.02883	1.1
113.81960	0.3
121.02875	0.5
126.03126	0.3
127.03920	1.0
128.68900	0.3
129.05492	3.6
139.03940	0.7
145.04918	0.7
147.06499	0.8
151.03870	0.3
153.01828	3.3
163.03915	0.4
165.01814	0.4
166.16319	0.4
201.05482	0.6
203.03294	0.2
217.04953	0.5
228.04129	0.6
229.04929	1.7
231.84102	0.3
245.04457	0.5
246.05219	1.0
257.04440	1.9
273.03906	1.1
274.04672	3.0
285.03915	2.4
302.04187	8.6
317.06546	100.0
318.06876	3.0
321.72470	0.3
344.18329	0.3
346.49689	0.2
430.33826	0.2
438.54404	0.3
479.11572	0.4
519.80060	0.3
582.22437	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1754
Annotation	Isorhamnetin 3-O-rutinoside
Peak:m/z	Relative Intensity
53.03930	0.7
55.05503	0.7
57.03437	3.9
61.02916	0.7
66.12780	0.4
69.03426	2.9
71.04989	17.7
73.02896	0.6
75.04465	1.0
79.05473	0.7
80.63132	0.4
81.03417	2.1
81.14590	0.4
83.04976	1.5
85.02901	26.2
87.04459	0.8
89.03911	3.2
91.05505	0.7
93.03363	0.6
97.02880	3.2
103.03944	0.6
105.06995	0.6
107.04939	6.3
109.02838	0.4
111.04431	1.3
117.03378	4.0
119.04927	0.5
121.02881	0.6
121.06496	0.6
127.03909	1.3
129.05469	5.9
133.06480	0.5
135.04407	11.9
137.05972	2.5
139.03882	1.1
145.02841	8.9
145.04910	0.8
147.04366	0.7
147.06497	1.8
149.05981	1.1
151.07521	1.0
153.01807	4.3
157.06491	0.4
161.05957	1.8
163.03896	95.6
164.04239	0.6
165.01952	0.5
165.05443	1.5
167.07121	0.6
175.07573	1.0
177.05374	0.5
179.07034	1.8
181.04932	1.5
185.05983	0.5
189.05525	0.5
190.08563	0.4
191.07083	0.9
198.28459	0.4
201.05438	0.9
203.03334	0.4
203.07030	1.6
205.08731	0.4
207.06552	0.4
217.04933	1.0
217.08615	0.7
221.08093	1.4
223.05913	0.6
227.06993	0.5
228.04189	1.2
229.05006	2.2
229.75623	0.4
233.08047	1.0
245.04358	0.5
245.08113	2.7
246.05238	0.9
256.03522	0.5
257.04462	1.8
263.09152	3.3
265.06964	0.8
273.03876	1.4
274.04694	3.7
281.10193	1.0
285.03934	2.9
299.11325	0.7
302.00757	0.9
302.04178	10.4
309.09531	2.6
317.06549	100.0
318.06879	1.7
325.09149	7.8
341.10022	0.7
359.07294	0.6
359.11255	0.5
383.11230	0.7
389.18823	0.4
443.13110	0.6
461.14307	0.9
461.38309	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.155
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.1
57.03429	0.2
60.38763	0.1
60.63165	0.1
65.03928	0.8
66.25446	0.1
69.03418	1.0
69.07004	0.1
71.04974	0.1
73.02902	0.1
81.03415	3.2
85.02913	1.1
89.03912	0.3
91.05477	7.8
93.03424	0.2
97.02886	0.6
99.04461	0.4
109.02876	1.0
117.03378	0.3
119.04938	20.9
120.05251	0.2
121.02866	0.2
127.03904	0.6
135.04436	0.2
137.05952	0.2
139.03883	0.2
145.02870	1.0
147.04404	100.0
148.04727	0.6
149.05951	0.1
153.01799	1.0
163.03906	0.7
165.01843	0.1
165.05482	3.2
167.07054	0.2
173.06053	0.1
177.05495	1.9
181.04976	0.3
195.61612	0.1
197.95065	0.1
201.05379	0.2
203.03250	0.1
207.06425	0.2
228.04205	0.2
229.04977	0.6
245.04417	0.2
246.05154	0.3
255.84406	0.1
257.04413	0.7
273.03885	0.4
274.04718	0.8
285.03918	0.8
286.04657	0.2
287.05502	0.5
291.08621	5.0
301.07092	0.4
302.04175	2.6
309.09705	2.2
317.06549	19.0
318.06931	0.3
359.07962	0.2
524.69116	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.155
Annotation	Isorhamnetin 3- (6''-p-coumarylglucoside)
Peak:m/z	Relative Intensity
51.02386	0.1
53.03939	0.3
56.13689	0.1
57.03425	0.2
65.03927	0.8
69.03425	1.0
71.04987	0.3
71.14655	0.1
71.15000	0.2
78.35399	0.1
81.03413	3.5
85.02902	1.0
89.03926	0.4
91.05476	8.2
92.02614	0.1
93.03391	0.2
97.02893	0.5
99.04438	0.5
109.02861	1.2
117.03378	1.3
119.04937	21.5
120.05260	0.2
121.02881	0.2
126.03209	0.1
127.03914	0.7
127.57275	0.1
129.04459	0.1
129.05414	0.1
133.02853	0.1
135.04375	0.3
136.64584	0.1
137.06055	0.1
139.03900	0.2
145.02850	3.1
145.04008	0.2
147.04402	100.0
148.04733	0.8
149.05954	0.6
153.01791	1.3
163.03923	1.9
165.01813	0.1
165.05478	3.2
167.07040	0.1
177.05467	6.3
181.04956	0.1
186.05533	0.1
191.03345	0.1
201.05463	0.2
217.04994	0.1
228.04117	0.2
229.05031	0.5
245.04488	0.3
246.05261	0.3
257.04443	0.4
273.03900	1.1
274.04715	0.9
284.03098	0.1
285.03931	0.8
287.05545	1.4
288.06210	0.1
291.08603	4.9
301.03439	0.2
302.04211	2.1
303.04736	0.2
309.09720	2.2
317.06543	16.3
318.06927	0.3
321.09662	0.3
339.10925	0.2
348.33884	0.1
359.07642	0.1
461.80975	0.1
625.11414	0.1
625.21094	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	625.155
Annotation	Isorhamnetin 3- (6''-p-coumarylglucoside)
Peak:m/z	Relative Intensity
51.02375	0.1
52.03632	0.1
53.03937	0.3
61.02922	0.2
65.03932	1.4
69.03416	1.1
69.63729	0.8
69.64148	0.3
71.04971	0.2
74.04437	0.1
81.03417	1.9
81.07076	0.3
85.02895	0.9
85.04035	0.1
89.03911	0.6
91.05477	12.4
92.02638	0.3
93.03394	0.6
93.07044	0.2
95.04963	0.3
97.02881	0.4
103.05387	0.2
107.04974	0.3
107.08589	0.1
109.02876	0.7
109.10156	0.1
117.03363	0.6
119.04935	27.1
120.05283	0.3
121.02872	0.6
123.04423	0.2
127.03928	0.7
135.04422	0.7
137.02440	0.2
137.05989	0.4
139.03885	0.3
145.02861	1.3
145.06512	0.1
147.04399	100.0
148.04724	0.7
151.03943	0.4
152.37486	0.1
153.01826	2.9
161.06129	0.2
163.03905	4.7
163.05223	0.3
165.01825	0.3
165.05463	1.0
167.07086	0.4
177.05476	2.0
181.04984	0.5
191.03271	0.2
197.17706	0.1
201.05357	0.2
203.03461	0.2
209.07996	0.1
217.05028	0.2
218.05733	0.2
228.04198	0.5
229.04950	1.4
231.06554	0.2
233.08224	0.2
236.87192	0.2
245.04448	0.4
246.05138	0.7
257.04385	1.1
273.03925	2.5
274.04709	1.8
284.02835	0.2
285.03918	1.8
287.05536	0.9
291.08600	2.0
301.03571	0.6
302.00748	0.3
302.04193	5.4
309.09732	0.7
317.06543	44.7
318.06949	0.3
359.07266	0.2
385.12769	0.2
416.14728	0.4
459.79794	0.1
463.06461	0.2
553.64685	0.2
625.21039	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56014	0.1
50.80506	0.1
53.03933	0.2
56.74245	0.1
57.03428	0.2
60.42942	0.1
65.03925	0.8
67.46646	0.1
69.03421	1.2
71.04980	0.3
71.07767	0.3
73.02911	0.1
77.56624	0.1
80.49971	0.1
81.03416	3.4
81.07056	0.1
85.02900	0.8
89.03937	0.2
91.05479	8.8
92.02622	0.3
93.03405	0.2
97.02874	0.5
99.04453	0.3
100.32520	0.1
109.02883	1.1
117.03407	0.5
119.04939	22.6
119.83571	0.1
121.02829	0.1
127.03895	0.7
135.04440	0.1
139.03908	0.2
144.98941	0.1
145.02859	1.3
147.04404	100.0
147.36678	0.1
148.04712	0.6
149.06003	0.2
151.03934	0.2
153.01817	1.5
163.03896	0.4
165.01862	0.2
165.05475	3.3
177.05470	3.2
177.07019	0.1
181.04977	0.2
184.29944	0.1
186.05765	0.1
201.05400	0.2
216.72194	0.1
218.05640	0.1
218.40367	0.1
222.47980	0.1
228.04269	0.2
229.04868	0.5
245.04485	0.3
246.05255	0.4
250.11761	0.1
257.04312	0.3
260.02994	0.1
273.03873	0.4
274.04742	1.0
285.03943	0.9
287.05463	0.7
291.05255	0.2
291.08624	5.3
302.04230	2.4
309.09680	2.5
317.06552	18.0
318.06854	0.2
321.09613	0.2
359.07571	0.2
416.14529	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	623.3425
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	2.6
55.01869	4.9
55.05511	18.2
56.96572	2.6
57.03427	7.5
61.02695	2.0
61.02927	21.6
65.03939	2.1
67.05167	3.4
67.05504	39.1
69.03429	7.5
69.07069	17.1
71.04985	5.9
71.27510	3.7
71.27849	2.6
73.02912	5.1
73.43056	1.9
77.03944	2.4
79.05495	32.4
81.03423	12.5
81.07051	54.3
83.04992	5.7
83.08623	12.4
85.02913	21.3
85.06528	5.1
91.03954	8.8
91.05483	39.0
91.19002	2.2
93.07040	32.7
95.04952	10.0
95.08603	18.4
96.08973	1.8
97.02877	11.9
97.06529	3.6
97.10149	6.0
98.08794	2.1
98.98463	2.2
100.30716	2.0
105.07034	25.1
106.31464	2.0
107.04930	4.1
107.08589	17.3
109.02861	2.5
109.06531	4.0
109.10168	13.9
111.08094	3.3
115.05435	5.1
117.07014	23.6
119.04968	3.8
119.08575	19.1
121.06494	4.5
121.10147	10.5
123.04378	2.3
123.08059	4.9
125.09624	4.0
127.03954	3.9
128.06213	4.6
129.05510	3.0
129.07010	25.1
131.04929	3.2
131.08568	31.0
133.06494	4.4
133.10115	12.0
135.04431	2.7
135.08051	6.3
135.11702	5.3
137.05995	2.3
137.09610	3.1
141.07014	10.5
142.07825	3.6
143.08525	17.2
145.04979	2.2
145.06435	6.4
145.10098	16.2
147.04427	3.6
147.08044	4.9
147.11681	4.9
151.11168	2.6
153.12677	2.4
155.08575	15.1
157.06444	4.1
157.10123	11.1
159.08046	4.6
159.11682	8.8
161.09612	3.8
161.13141	2.5
163.03909	8.3
163.11130	3.4
165.09103	2.6
165.12823	2.4
167.08534	10.1
169.10103	12.4
171.11685	8.8
171.93315	2.2
173.09421	2.2
173.13258	5.2
175.11209	5.2
179.08551	5.2
181.10088	7.0
183.11722	6.2
185.13249	7.1
187.11096	2.6
193.10213	4.1
193.12314	2.5
195.11694	8.1
197.09621	2.6
197.13254	5.6
199.11121	2.8
199.14795	3.3
203.14229	3.1
207.11632	4.4
209.13249	7.0
211.14885	4.0
213.12737	4.2
215.14323	4.3
218.21594	2.2
219.13885	2.6
221.13293	7.7
223.14819	5.3
225.13049	2.3
229.14323	2.2
235.14780	4.4
239.14320	4.7
257.15256	2.7
271.16995	3.7
323.23520	2.3
333.22101	9.6
333.26147	2.1
339.29022	3.5
340.29053	3.5
341.24677	6.3
351.23123	33.0
364.24991	3.7
369.24158	28.9
387.25354	13.2
425.26886	7.7
443.27963	100.0
444.28137	2.5
449.10345	2.5
461.28989	82.8
485.28845	3.0
500.69321	2.8
621.90509	2.7
623.34613	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	623.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96666	0.5
56.16840	0.5
58.55866	0.5
71.21145	0.5
71.58508	1.4
74.05315	0.6
81.07055	1.1
89.29582	0.6
102.99786	0.6
104.22038	0.5
114.14488	0.6
184.08357	0.6
327.88025	0.6
333.47891	0.5
387.17023	0.6
391.19296	1.7
392.20276	0.7
402.18652	0.9
403.19330	2.1
405.20947	2.5
407.22284	1.8
415.19431	1.9
416.20538	0.7
417.16302	1.0
417.20840	2.5
419.23038	2.8
420.23141	1.2
421.24023	0.8
429.21298	0.7
430.17670	1.7
431.18695	2.5
432.18832	1.1
433.20221	7.1
434.20642	0.7
435.21759	1.1
443.18674	2.4
444.19131	2.8
445.19815	5.1
446.21573	3.2
447.22055	5.0
448.22775	1.9
457.20218	0.8
458.20779	7.6
459.21857	6.0
460.23221	3.9
461.19122	0.9
462.20712	0.9
463.21353	3.1
473.23782	1.1
475.20776	1.0
477.23141	1.9
490.23145	0.7
503.24768	1.3
504.25070	0.9
517.22314	0.8
518.23035	5.0
521.21790	1.6
533.25543	9.1
534.25641	1.0
535.27002	1.1
545.25494	3.1
546.26251	1.0
563.26465	7.4
573.24823	1.1
574.59009	0.6
605.27484	13.0
606.27563	0.7
623.28619	100.0
624.28809	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.334
Annotation	Unknow
Peak:m/z	Relative Intensity
58.80892	1.2
66.06064	1.3
69.61288	1.2
70.32024	5.7
81.07065	7.9
95.08636	1.7
198.70583	1.1
262.14841	1.1
351.08374	61.1
352.08945	1.9
461.23337	1.4
487.20886	21.5
623.33649	100.0
624.33368	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.3338
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05484	2.1
68.05279	0.7
69.71301	3.9
78.21133	0.7
79.05489	1.5
81.07054	17.0
93.07072	1.0
95.08083	1.0
95.08591	4.5
137.13219	1.4
171.46996	0.7
172.68704	0.7
201.82355	0.8
333.07495	0.8
351.08362	30.7
352.08716	1.3
392.11307	1.8
487.20895	38.2
488.21210	1.9
528.23657	2.6
563.25983	1.3
623.33484	100.0
624.33850	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	623.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07072	0.9
67.05503	3.2
69.07059	0.7
72.90269	0.7
75.06580	0.7
79.05477	3.2
81.07053	41.2
89.42707	0.6
95.08595	9.2
100.55853	0.6
105.65697	0.7
137.13240	3.7
139.42270	0.7
141.83023	0.6
187.03595	1.1
208.70799	0.7
211.22618	0.7
229.75220	0.8
247.11859	0.6
320.78983	0.8
323.16379	0.7
351.08371	38.8
376.16937	0.9
388.17407	0.9
390.18619	1.0
391.19125	2.2
392.11063	3.1
392.20239	0.9
404.16064	1.0
405.20776	5.8
413.17529	0.8
415.19156	2.1
417.21063	1.5
419.18198	1.8
419.22964	0.9
420.23041	1.9
421.23944	1.4
428.20313	0.7
429.21048	4.4
430.21643	1.9
433.19623	5.1
435.21994	1.3
443.22339	1.8
444.22986	2.2
445.19876	1.1
447.17737	11.2
448.23016	3.3
449.23373	2.6
452.21613	0.8
457.24042	1.4
458.24603	1.6
459.21283	4.1
460.22415	3.1
461.19379	15.1
462.20050	1.2
463.21313	1.6
470.20825	0.8
472.22681	1.9
473.23511	1.5
475.20670	3.2
476.22040	24.1
477.22266	3.5
479.21075	1.2
485.23441	8.3
486.23715	0.9
487.20700	41.1
488.21967	1.9
489.18759	1.1
489.23434	0.9
490.22958	0.9
495.05991	0.8
500.22006	0.8
503.24384	7.0
508.24594	0.8
513.22443	1.2
515.24390	4.8
517.25677	1.9
519.23969	2.2
521.25702	5.0
528.23468	5.8
531.23926	12.0
545.25409	15.5
546.25519	1.3
547.26917	1.0
549.25031	7.6
559.22809	3.3
563.26678	8.6
564.26898	1.4
591.26038	20.7
605.27808	3.5
623.28900	100.0
623.32532	97.7
624.28131	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	623.2857
Annotation	Unknow
Peak:m/z	Relative Intensity
56.88496	0.4
63.13845	0.5
69.61308	3.4
73.46108	0.4
81.07007	0.6
87.70670	0.4
107.54206	0.5
111.76762	0.5
112.07041	0.5
209.10672	0.8
213.51472	0.5
223.12233	0.9
224.13071	0.6
225.13951	0.5
237.13911	1.0
237.86084	0.5
251.15451	0.7
312.15118	0.6
362.16492	0.5
363.16156	0.6
364.79245	0.5
374.16904	1.0
375.16617	0.8
376.17181	0.8
377.17670	1.9
378.18478	1.7
385.14465	0.6
386.15182	1.1
388.18188	1.0
389.18341	1.3
390.18558	2.0
391.19156	5.4
392.19839	5.2
393.20731	1.6
399.16241	2.1
400.16992	1.9
401.17633	3.1
402.18771	1.2
403.19598	2.5
404.20450	2.0
405.16562	0.6
405.20853	6.6
406.21579	6.2
407.22290	18.4
412.17636	0.7
413.17535	3.4
414.18286	3.9
415.19171	8.4
416.20251	1.3
417.21097	1.8
419.18082	1.4
419.23227	2.9
420.23584	2.7
421.23859	16.5
422.24631	4.9
427.19431	3.0
428.20209	4.6
429.20865	18.4
430.21759	4.5
431.18378	1.5
431.22955	1.3
432.19202	0.8
433.19434	2.4
433.24142	2.8
434.25125	0.6
441.16452	1.0
442.21939	3.3
443.22507	12.5
444.23666	6.3
445.19839	3.6
446.20953	0.9
447.18192	1.9
448.18317	0.9
449.23056	0.8
452.21783	1.0
455.18723	1.5
456.19595	1.6
457.19174	1.3
457.23834	4.8
458.24905	9.9
459.21759	11.0
460.23016	4.0
461.18976	8.4
462.19974	2.7
463.21182	1.6
470.21646	2.3
471.22867	3.0
472.22598	9.1
473.23209	3.6
474.20322	1.0
475.21048	9.5
476.21588	6.7
477.22488	4.7
478.23740	0.9
483.18195	2.0
484.19000	1.6
485.23578	20.5
486.20285	4.0
486.24246	3.8
487.21326	2.1
488.22238	2.8
489.22900	4.9
490.23694	1.5
493.26288	1.3
498.20032	0.9
499.21298	7.4
500.22162	3.6
501.23187	0.8
502.23676	1.4
503.24451	12.6
504.21866	0.9
504.24924	1.0
505.21988	0.6
507.23450	1.3
508.28271	1.2
513.22864	5.2
514.23584	2.3
515.24261	1.4
517.26416	11.3
521.25165	1.8
529.25745	2.6
530.23108	0.8
531.23798	1.4
535.27240	7.9
536.27167	0.8
545.25446	100.0
546.25873	3.5
547.26892	0.7
549.25134	0.8
558.22552	0.8
559.23267	0.9
563.26563	0.7
564.27051	2.7
573.24957	27.5
574.25189	1.0
577.28461	0.8
591.26178	1.5
605.27557	54.0
606.28033	2.3
623.28583	63.6
624.28894	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	621.2706
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
51.95784	0.2
52.58150	0.2
52.78662	0.2
54.22269	0.2
68.21338	0.2
69.52314	0.9
69.52742	0.6
77.07877	0.2
115.19868	0.2
168.07994	0.2
181.57921	0.2
191.32494	0.2
195.08972	0.3
197.10620	0.2
207.09236	0.3
209.10544	0.4
209.44136	0.1
221.10548	0.2
222.11189	0.1
223.12233	0.2
233.10649	0.3
234.11469	0.2
236.81329	0.2
285.12662	0.2
310.13065	0.2
312.14941	0.2
324.14792	0.3
336.15012	0.2
339.13602	0.2
340.14551	0.2
373.14725	0.2
374.15540	0.4
375.15955	0.8
376.16852	0.5
377.17621	0.2
386.56689	0.2
387.16144	0.6
388.16714	1.0
389.17606	2.8
390.18433	1.0
391.19089	0.7
400.17029	0.2
401.17776	0.8
402.13922	0.3
402.18842	1.1
403.19461	4.8
404.20065	2.6
405.20767	2.3
406.21478	0.2
415.14963	0.5
415.19287	0.7
416.16092	0.8
416.20044	0.8
417.16019	3.3
417.20959	2.4
418.17270	0.7
418.21417	1.2
419.22415	6.9
420.23129	1.1
429.16473	0.4
429.21497	0.3
430.16864	1.0
430.22137	0.7
431.18082	6.6
432.19089	2.6
433.20108	2.0
441.16476	0.2
443.18378	0.6
444.19418	0.6
445.20093	5.6
446.20975	6.1
447.21777	10.0
448.22314	0.7
457.21167	0.2
458.21072	0.3
459.21704	2.5
460.18347	0.7
460.22827	0.8
461.19479	1.7
463.21231	0.3
471.17694	0.2
473.19302	1.1
473.23782	1.0
474.20306	5.5
475.21262	9.0
476.21603	0.6
477.22983	0.3
478.23633	0.6
487.21460	3.2
488.21808	0.9
490.23593	0.4
491.20010	1.3
501.22867	2.1
502.23413	0.3
504.20776	0.2
505.25626	1.2
506.23599	0.3
517.22327	0.2
518.22888	0.5
519.19397	0.8
520.24677	0.3
529.22327	0.7
533.25519	17.7
534.26093	1.0
546.22437	0.6
561.24945	23.9
562.25195	1.9
565.27997	0.5
589.24603	0.6
593.27570	3.9
594.27722	0.3
621.27045	100.0
622.27350	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	621.2702
Annotation	Unknow
Peak:m/z	Relative Intensity
68.12249	0.2
69.96444	1.2
74.18338	0.2
81.06996	0.3
87.04491	0.2
98.28805	0.3
124.98810	0.2
172.51852	0.3
183.09177	0.3
195.09258	0.3
196.09882	0.4
197.10661	0.3
220.09819	0.2
221.10846	0.3
226.25905	0.2
244.45871	0.2
247.12474	0.3
249.10193	0.4
284.12228	0.3
298.13492	0.4
320.17914	0.3
324.14716	0.3
336.15216	0.3
338.29108	0.3
348.14670	0.2
360.14413	0.3
360.63467	0.3
362.16177	0.4
372.15408	0.3
373.14484	0.5
374.15341	0.4
375.16199	0.9
376.17615	0.3
387.15982	1.1
388.16827	1.2
389.17517	4.0
390.18408	1.5
391.19043	0.5
401.13229	0.3
401.18039	1.3
402.14108	0.6
402.18991	1.3
403.19330	6.6
404.20102	3.0
405.20721	2.1
407.21414	0.3
413.17245	0.3
415.19330	0.9
416.16339	1.2
416.20502	0.8
417.16055	4.3
417.21039	2.7
418.17581	1.0
418.22540	1.3
419.22406	8.4
420.23032	0.8
428.19547	0.3
429.16714	0.6
430.16904	1.4
431.18158	8.4
432.19052	2.9
433.20007	1.7
441.17249	0.5
443.18768	0.8
444.19559	0.9
445.20187	7.4
446.20978	5.0
447.21823	11.6
448.22540	0.4
457.20502	0.5
458.20914	0.6
459.17578	1.6
459.22003	2.4
460.18219	0.6
460.23572	0.5
461.19702	1.0
463.21078	0.5
473.19482	1.4
473.24246	0.8
474.20386	10.2
475.21249	16.6
476.21646	0.8
477.23172	0.3
485.19907	0.3
486.20889	0.4
487.21365	4.6
488.21936	1.9
490.23434	0.6
491.20523	0.7
501.22775	2.4
502.23715	0.7
503.20709	0.5
505.26642	1.4
517.22003	0.4
518.23413	0.4
519.19769	0.3
529.22205	1.0
533.25500	11.3
534.25903	0.7
546.22333	0.8
561.24945	70.6
562.25232	3.9
589.24152	2.3
593.27448	3.4
594.26599	0.3
621.27026	100.0
622.27344	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	621.2702
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
50.94899	0.3
70.76620	1.0
113.01098	0.3
124.28043	0.3
134.87529	0.3
144.91399	0.3
157.11732	0.3
189.34526	0.3
223.12224	0.4
373.14575	0.4
375.16110	0.8
387.16281	0.6
388.16934	1.0
389.17654	1.9
390.18506	0.7
391.19247	0.7
401.18015	0.4
402.18610	0.7
403.14810	0.4
403.19516	2.9
404.20102	1.6
405.20721	1.6
416.16196	0.9
417.16180	2.8
417.21362	1.3
418.17731	1.0
418.22250	0.6
419.22397	5.5
420.22867	0.8
429.16751	0.4
430.17288	0.6
430.22284	0.5
431.18060	5.5
431.23630	0.6
432.19043	2.4
433.20148	2.0
436.06537	0.4
445.20102	4.8
446.20953	6.0
447.21759	8.0
448.22421	0.5
457.20374	0.4
458.20529	0.5
459.21765	2.1
460.18268	0.4
460.23233	0.4
461.19492	1.8
463.21277	0.4
473.19034	1.0
473.24136	0.9
474.20306	5.5
475.21255	7.4
478.24048	0.4
487.21198	2.6
488.22137	0.6
491.20801	1.1
501.22903	2.0
502.22986	0.5
503.21164	0.4
505.25781	1.2
518.23035	0.5
519.20764	0.6
529.22290	0.7
533.25519	13.7
534.25525	0.5
546.22870	0.5
561.24933	20.8
562.25708	0.4
589.24646	0.9
593.27661	3.6
621.27051	100.0
622.27411	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	618.3785
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24913	0.4
50.53857	0.4
53.03923	0.6
57.07067	1.2
57.42706	0.3
61.37671	0.4
65.03935	0.6
67.05499	2.5
69.07053	0.5
71.08624	0.4
71.31065	0.8
79.05484	4.7
81.07051	100.0
82.07379	0.9
87.04436	1.1
95.04983	0.6
95.08600	11.7
109.10163	0.6
121.02851	2.6
123.04448	1.7
137.13246	50.5
145.06468	0.4
147.04405	0.7
155.04924	1.3
165.05476	1.7
171.04407	0.8
173.05981	1.1
175.03902	0.7
193.05028	1.2
199.03932	6.0
217.05034	1.5
223.07616	1.2
223.21729	0.4
235.06081	2.2
251.07024	14.2
293.08047	16.1
311.09113	20.8
329.10269	1.6
343.70645	0.4
370.99976	0.5
447.21793	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.3787
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.4
54.57960	0.1
55.05518	0.4
57.07071	0.9
60.20071	0.1
65.03949	0.3
67.05502	3.2
69.07064	1.1
70.75581	0.3
70.75956	0.3
79.05054	0.3
79.05492	4.6
81.07056	100.0
82.07388	0.8
83.62811	0.2
87.04483	0.3
90.91299	0.1
93.07073	0.3
95.04966	0.6
95.08606	11.2
107.04990	0.1
107.08563	0.2
109.10162	0.5
112.93714	0.2
119.04958	0.4
120.05743	0.2
123.04461	1.4
135.11679	0.4
137.13252	54.9
138.13593	0.4
147.04385	1.4
149.05995	0.2
165.05499	0.9
184.11476	0.2
186.24260	0.1
203.42677	0.2
208.85698	0.1
311.09149	2.1
329.10196	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.3786
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07088	1.6
62.84579	1.4
67.05497	3.0
69.00494	1.8
69.28489	17.2
69.28918	2.6
76.78073	1.6
79.05490	7.7
81.07054	100.0
82.07376	2.0
87.04443	2.6
89.05048	1.5
95.08605	11.2
95.47641	1.3
98.20631	2.8
131.12643	1.6
137.13251	70.2
213.09099	4.3
285.68835	1.5
334.07660	1.5
478.05084	1.7
618.40027	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	617.3462
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.6
55.05515	0.8
55.69165	0.3
57.07067	1.6
59.04994	0.3
61.49832	0.3
65.03925	0.7
66.36588	0.2
67.05504	8.9
69.07074	1.9
69.55865	1.4
69.56280	0.6
71.08639	0.4
79.05500	5.5
80.05815	0.4
81.07057	100.0
81.50127	0.2
82.07388	8.3
87.08109	0.4
91.05480	7.2
93.07042	4.1
95.04974	1.0
95.08608	12.9
96.08945	0.8
96.37321	0.2
97.06535	0.7
98.20712	0.3
99.00816	2.4
104.23012	0.2
105.07030	0.3
107.04967	2.6
107.08593	4.3
108.08916	0.5
109.10156	4.5
117.01867	1.3
119.04947	15.7
120.05759	0.5
121.02862	0.3
123.11704	1.1
135.11705	6.9
136.12016	0.3
137.13257	59.4
138.13589	10.7
145.06514	0.3
145.35585	0.2
147.04408	4.7
148.04677	0.3
149.05951	0.3
153.12740	6.9
165.05469	0.3
167.08536	0.8
174.70531	0.3
177.06941	0.5
195.08046	1.2
212.08272	0.4
213.09106	39.9
214.09500	0.6
219.07912	0.3
235.07614	0.5
236.07829	0.3
237.09064	0.5
247.66490	0.3
263.06964	1.1
264.07401	1.2
265.08469	0.6
266.08917	0.5
291.06561	3.0
292.06873	2.1
293.07977	0.4
299.16650	0.3
309.07593	7.9
310.07941	7.0
311.09055	1.1
327.08813	1.3
328.08884	1.1
329.10196	1.4
445.20270	1.4
446.20380	4.3
452.07071	0.3
464.21295	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.3472
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.9
53.23049	0.3
55.05529	0.4
57.07070	1.6
57.79884	0.4
65.03936	0.9
67.05503	8.3
69.07069	1.5
71.44456	0.8
79.05486	5.4
80.05803	0.6
81.07055	89.4
84.97532	0.4
91.05477	13.3
93.07042	7.4
94.07366	0.6
95.04965	1.6
95.08604	11.2
99.00819	4.9
105.06993	0.4
107.04957	3.9
107.08581	3.8
108.08924	1.1
109.10152	4.3
117.01869	4.9
119.04942	34.7
120.05715	0.9
121.02911	0.5
122.37349	0.4
122.70847	0.4
135.11691	6.8
136.12015	1.7
137.13251	47.1
138.13545	0.6
145.06468	0.6
147.04419	3.0
153.12729	7.7
166.07693	0.4
167.08554	1.8
177.06996	1.0
195.08061	1.7
198.06760	0.5
212.08342	1.3
213.09097	100.0
214.09444	1.7
237.08998	1.0
265.08585	0.6
293.08066	1.1
311.09119	3.1
329.10214	6.5
433.11926	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.3463
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96810	0.4
53.03939	0.9
55.05505	0.5
57.07069	1.5
59.04984	0.4
65.03934	0.6
67.05498	9.3
67.05830	0.8
69.07063	2.6
70.19395	0.9
70.19814	1.5
78.87214	0.4
79.05488	5.5
80.05840	0.5
81.07047	100.0
82.07384	4.5
82.80045	0.4
91.05472	8.5
91.06008	0.7
93.07034	4.9
94.07361	0.5
95.04967	1.2
95.08599	12.8
96.08945	0.7
97.06527	0.5
99.00803	3.4
99.74029	0.4
105.06997	0.4
107.04929	2.9
107.08581	5.1
108.08881	0.7
109.10139	5.5
110.05191	0.4
111.11708	0.5
117.01852	1.9
119.04930	18.3
123.11718	1.2
135.11681	7.5
137.13242	68.7
138.13576	10.9
147.04376	7.1
153.12732	7.3
165.54263	0.5
167.08533	0.8
181.30389	0.4
195.08099	0.6
212.08426	0.5
213.09082	45.1
237.09174	0.7
247.07584	0.6
263.07001	0.7
264.07486	0.5
265.08463	1.3
291.06583	2.7
292.06775	2.3
293.08191	0.6
309.07541	9.7
310.07886	7.9
311.09116	1.5
317.17352	0.8
327.08594	1.6
328.08829	2.0
329.10123	2.4
371.71741	0.5
433.66486	0.4
445.19916	1.8
446.20398	4.2
464.21490	0.6
470.63821	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.3469
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.9
55.05509	0.8
55.42947	0.6
57.07068	2.2
61.46805	0.6
62.50794	0.6
67.05500	10.6
69.07054	2.2
79.05496	5.0
81.07052	100.0
82.07388	1.4
91.05475	12.6
93.07042	9.1
94.07387	0.9
95.04984	2.1
95.08603	13.0
99.00803	4.2
105.07056	1.2
107.04916	4.0
107.08588	10.7
107.09286	1.0
108.08931	1.3
109.10143	10.2
117.01848	3.1
119.04936	31.2
120.05785	0.8
135.11682	18.2
136.12012	3.9
137.13248	48.2
138.13531	0.9
138.40134	0.8
145.06577	0.8
147.04398	8.7
153.12743	16.1
157.06519	0.9
167.08624	1.0
177.07036	0.9
195.08087	2.4
195.57750	0.7
207.10300	0.9
212.08481	1.1
213.09090	75.5
214.09503	2.2
237.09193	1.2
293.08032	0.9
299.16376	1.8
311.09149	2.0
329.10297	2.2
373.26920	0.7
419.03995	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.3468
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76795	0.3
53.03941	0.7
55.05502	1.2
57.07075	1.4
65.03946	0.7
67.05502	6.2
69.07063	2.5
70.70736	1.4
79.05491	6.9
81.07051	100.0
82.07381	0.9
83.08611	0.5
89.08840	0.5
91.05471	16.1
93.07041	10.7
95.04967	2.2
95.08601	16.3
97.06530	0.8
99.00816	4.7
105.07018	0.6
107.04961	4.6
107.08585	7.4
109.10150	29.4
116.08431	0.4
117.01870	3.6
119.04937	33.4
120.05737	0.9
123.11675	0.5
125.13261	0.5
135.11682	15.9
135.12706	1.0
137.13245	42.6
138.13506	0.6
147.04402	1.1
153.12735	24.8
165.07022	0.5
167.08580	2.0
168.63136	0.4
177.07004	1.2
195.08026	1.9
212.08318	1.1
213.09090	81.2
214.09450	1.6
237.09047	1.0
247.07491	0.6
293.07892	0.5
296.14471	0.5
311.09128	2.4
311.12170	0.4
329.10107	3.2
463.21094	0.5
496.50626	0.4
498.21417	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.2699
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	1.0
55.05513	5.6
57.03428	4.2
57.07035	1.1
60.77399	0.5
61.56370	0.5
65.03912	0.9
67.05499	19.9
69.07061	5.0
69.72215	1.9
69.72637	1.7
79.05495	9.7
81.07054	20.5
83.04949	0.7
83.08576	2.0
91.04991	0.5
91.05473	6.4
93.07043	12.4
95.04917	1.8
95.08605	14.6
97.10146	0.8
98.20849	1.1
105.07045	3.8
107.07964	0.6
107.08582	6.6
108.08881	0.5
109.06474	0.8
109.10153	4.2
117.06962	1.0
118.68546	0.5
119.04929	0.9
119.08552	2.9
120.96609	2.3
121.10178	2.8
123.08028	0.7
123.11641	1.2
131.08534	1.5
133.10078	1.8
135.11667	3.4
137.13232	1.0
145.10056	1.6
147.04411	4.5
147.11597	1.0
148.04691	1.0
149.13222	1.1
156.97417	1.1
159.11719	0.6
174.98477	1.3
176.99196	0.8
185.04175	0.8
192.97638	0.5
200.47949	0.5
203.05244	5.0
210.26540	0.5
213.00067	1.9
265.00845	3.7
283.01877	100.0
301.01740	1.2
305.84140	0.6
324.04535	4.8
335.25781	22.0
357.04840	1.3
357.24002	0.7
375.25189	0.7
401.79880	0.6
437.20389	1.6
437.28668	0.5
455.20346	0.7
525.35443	0.7
599.25684	0.9
617.26831	34.5
618.27039	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.347
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85651	0.3
53.03957	0.4
55.05507	0.6
57.07066	1.5
65.03909	0.7
67.05505	4.3
69.07068	1.6
79.05493	8.2
81.07055	100.0
82.07392	0.9
83.04966	0.4
83.08569	0.3
91.05482	12.5
93.07045	7.5
95.04961	1.5
95.08603	13.1
97.06535	0.6
98.20687	0.7
99.00828	2.9
105.07027	0.5
107.04961	3.6
107.08589	10.4
109.10154	7.3
117.01854	3.0
119.04945	29.1
119.08578	0.5
120.05737	0.9
123.11682	0.5
135.11694	17.1
137.13254	47.9
138.13522	0.6
145.06473	0.5
145.23393	0.4
147.04401	2.2
151.11163	0.9
153.12747	15.4
167.08527	1.0
172.02510	0.4
177.07042	0.8
195.08076	1.6
195.11723	0.4
199.07552	0.9
212.08350	1.2
213.09100	71.4
214.09453	0.6
235.05917	0.6
237.09035	1.0
265.08499	0.8
293.07916	0.6
311.08945	2.3
329.10226	2.4
398.44217	0.4
463.21136	0.7
519.89929	0.4
599.32837	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.2299
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	0.5
55.62589	0.3
56.96565	18.2
57.07044	0.4
59.78611	0.3
64.17361	0.3
67.05502	1.7
69.07047	0.3
70.19638	1.2
71.95256	0.5
74.97619	0.5
79.05482	1.5
81.07057	6.2
82.07384	0.9
84.96034	12.6
91.05491	1.9
92.05811	0.3
93.07041	2.8
94.07368	0.5
95.08614	1.8
95.25267	0.3
96.08942	0.4
98.97581	6.4
102.97089	2.6
105.07020	0.8
105.26532	0.3
106.07356	0.3
107.08596	5.0
108.08939	1.7
109.06511	0.3
109.10165	1.2
110.10434	0.4
110.61846	0.3
110.97601	0.6
112.30106	0.3
112.99127	0.5
116.98621	7.4
116.99429	0.4
117.00771	0.3
119.04942	1.2
119.38033	0.3
120.05309	0.4
120.98106	1.1
121.10154	0.6
122.10494	0.3
123.11704	0.5
124.99122	1.0
125.98653	0.4
128.98611	2.5
131.00177	1.4
133.10126	0.9
134.10442	0.4
134.99664	4.9
135.11684	3.9
136.12007	1.6
137.13255	1.4
138.13591	0.9
138.99066	0.4
140.00206	1.1
140.98602	1.2
141.31981	0.3
143.00150	5.6
143.99725	0.4
144.98083	2.4
146.99643	4.4
147.04402	3.2
148.04784	0.7
149.01212	3.8
151.11230	0.7
153.00717	0.9
153.12753	0.9
154.13190	0.4
155.00182	0.9
157.01758	0.9
158.01253	0.9
158.99649	2.3
161.01216	14.7
162.99147	6.7
165.00735	1.1
166.01778	0.5
167.02278	2.4
170.01231	0.7
172.02750	0.5
172.94286	0.7
173.01210	3.1
175.02817	0.8
177.00737	1.8
179.02281	4.5
180.94812	0.7
181.00188	1.4
182.99669	2.3
184.02834	1.9
185.01216	0.6
186.00824	1.1
187.02846	0.4
189.00723	0.4
190.95297	1.4
191.02280	2.0
195.01724	0.5
196.02786	0.6
196.60553	0.3
198.95822	4.5
201.00699	9.6
202.03862	0.4
203.02286	0.5
204.01906	0.3
205.03856	0.3
213.09091	0.8
214.03987	0.3
214.09352	0.5
214.95204	0.4
216.96880	2.3
217.03830	0.8
219.01743	4.1
221.97552	1.1
222.95834	0.6
224.02342	1.9
224.97432	1.0
228.96883	1.5
234.50479	0.4
240.96875	3.1
242.98454	1.9
245.10774	0.5
246.95853	1.3
246.98036	1.7
254.98476	0.5
258.97946	1.5
260.99567	0.5
263.98355	0.4
264.96866	7.0
264.99509	0.5
269.97244	0.5
282.97955	14.5
287.98349	1.4
296.99658	1.2
300.99014	11.1
305.99585	3.2
315.00293	0.3
317.17868	16.7
318.18149	0.5
319.19690	0.4
324.00549	1.7
335.18912	9.3
335.25607	0.6
357.01767	1.8
358.20511	3.8
375.02631	2.2
391.21854	1.8
398.04907	0.4
557.20880	1.2
599.21912	1.8
617.23016	100.0
618.23187	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	617.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.6
55.01868	0.7
55.05505	1.7
57.03220	0.5
57.03439	4.4
65.03920	0.6
67.05495	1.3
68.99792	1.1
69.03437	2.8
69.07062	2.4
70.06583	0.5
71.04981	1.8
71.60023	0.8
79.05481	1.2
81.03419	5.5
81.07030	1.4
83.01352	0.6
83.04988	0.8
85.02903	3.5
91.05482	2.9
93.07051	3.3
95.04980	4.1
95.08585	1.2
97.02895	7.2
97.06516	1.5
97.10162	1.9
99.04440	1.5
103.05477	1.0
105.07045	2.3
107.04949	7.2
107.08598	4.5
109.02878	7.4
109.06508	0.8
109.10194	0.7
110.97794	0.4
111.04425	0.6
111.08097	3.3
111.11737	0.9
119.04930	2.3
119.08555	0.9
121.02881	1.2
121.06520	1.4
121.10146	16.9
123.04440	1.7
123.08057	0.8
125.09615	1.7
127.03920	9.3
129.05470	0.5
131.04942	1.5
133.10094	0.6
135.04416	1.9
137.02304	1.0
137.05928	1.8
139.03969	0.5
139.11168	2.9
141.06949	0.6
145.02850	1.2
145.04938	1.1
145.06470	0.6
147.04413	7.2
149.02342	16.4
149.05936	1.0
149.09616	5.2
151.07523	0.6
153.01826	11.8
159.04471	0.7
161.06013	0.8
163.03929	4.9
165.01849	0.5
165.09163	0.6
167.03426	0.9
167.07042	10.2
167.10687	13.0
169.06523	1.4
171.01451	0.4
171.02882	8.3
177.05449	0.8
177.68272	0.4
179.47476	0.5
181.04980	1.2
181.06418	0.6
185.11742	1.9
187.07590	1.0
193.08472	0.8
197.05995	1.9
209.08078	0.7
215.07016	21.2
225.05476	1.9
239.12679	0.9
243.06531	25.9
253.04939	2.1
257.13904	0.7
271.06012	100.0
272.06396	0.8
289.07098	14.0
293.13724	0.8
295.06009	1.2
311.14856	6.2
313.07098	2.9
337.07233	0.8
379.08154	1.4
389.78275	0.5
463.15652	0.5
464.64899	0.5
467.26459	0.4
470.81723	0.5
563.19141	0.9
581.19952	1.4
599.20959	0.9
616.43988	1.9
617.44122	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.2049
Annotation	Upunoside C
Peak:m/z	Relative Intensity
68.08598	0.2
70.06576	0.5
71.04977	0.3
71.11940	0.3
71.12276	0.6
84.16579	0.3
85.02901	1.1
86.09669	0.3
91.05441	0.4
97.02888	0.5
107.04910	0.3
121.06487	0.8
125.64793	0.3
139.85966	0.2
145.04910	0.3
147.04326	0.4
163.03902	0.6
167.07045	0.6
177.00874	0.2
193.08585	0.4
300.88419	0.3
323.09793	0.4
341.10645	0.4
343.47086	0.3
404.49072	0.3
455.15366	2.2
471.55591	0.3
485.16309	7.1
617.20477	100.0
618.20844	1.6
649.05151	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83973	0.9
53.03927	1.3
55.05503	2.2
57.03433	10.4
60.70303	0.9
61.02915	3.3
64.34133	0.9
68.05027	8.7
69.03409	4.3
69.92377	5.7
70.06593	56.1
71.01341	2.0
71.04991	60.6
73.02922	7.5
75.04460	2.7
81.03418	2.0
81.13010	0.9
83.04978	12.2
85.02903	82.6
86.06069	34.0
86.09702	14.5
87.04467	1.9
89.03895	4.1
91.03932	2.0
95.04965	2.2
96.04487	1.8
97.02882	3.1
98.06048	7.2
99.04444	2.6
107.04945	4.9
109.02862	1.2
109.06529	1.4
111.04441	9.8
113.06023	1.4
114.05518	1.5
115.05395	1.0
117.03337	3.2
117.05485	3.2
119.04930	1.1
123.04408	2.7
125.05962	1.2
126.05486	3.3
127.03897	2.7
128.07094	3.2
129.05481	26.9
129.06943	1.0
131.08557	1.1
135.04417	9.6
137.05936	2.1
140.13104	0.9
141.05446	1.3
141.06885	1.2
145.02878	8.8
145.06335	1.2
147.04445	4.5
147.06516	8.6
151.85329	1.1
153.05470	3.4
159.08031	2.3
163.03900	100.0
163.06068	4.1
165.05405	1.1
167.07057	11.6
168.07388	5.1
171.06557	1.8
173.05977	2.3
181.04961	1.0
183.14920	8.5
187.07472	2.9
188.07851	1.6
201.07597	1.6
205.08597	2.6
211.10951	1.3
211.14417	13.5
217.08582	5.5
218.08902	3.6
219.10078	2.1
220.08421	1.3
220.10585	2.3
231.10242	1.0
239.09128	3.9
245.14957	34.2
247.09656	1.8
248.07846	1.2
249.11211	3.9
250.11545	4.0
264.07843	1.0
275.11395	1.7
277.08365	1.1
285.67523	1.0
287.15991	2.1
291.08664	2.1
307.08710	1.0
309.09647	2.8
312.98163	1.0
325.09219	6.6
331.11340	1.3
339.19333	1.1
342.20297	6.8
351.12399	1.0
352.12363	1.0
369.12808	1.3
371.14697	1.5
372.15024	1.5
383.15015	4.5
384.15320	11.5
386.16986	1.3
401.15808	3.3
402.16211	13.5
407.20227	16.2
455.28687	13.8
504.25555	17.7
617.19800	1.2
617.34180	9.2
623.24286	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.3621
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.5
55.05510	0.5
57.07074	1.0
65.03927	0.4
65.35043	0.1
66.04694	0.1
67.05499	3.9
69.07050	1.0
71.08628	0.3
71.62007	0.1
71.62432	0.3
76.60094	0.1
77.03925	0.2
79.05121	0.1
79.05488	5.4
81.07052	100.0
82.07384	1.1
90.42752	0.1
91.05484	0.9
93.07040	1.9
94.07362	0.3
95.04979	0.3
95.08601	11.6
96.08940	0.1
105.07034	0.3
105.47553	0.1
107.04926	0.1
107.08580	2.3
108.08914	0.4
109.10150	1.1
113.98000	0.1
115.05418	0.2
119.04935	0.5
121.10136	0.1
123.11704	0.4
131.04939	0.1
133.10097	0.3
135.11687	2.9
136.12056	0.8
137.13246	60.3
138.13588	0.7
143.04910	0.2
144.05646	0.1
147.04410	1.0
148.04750	0.2
151.11182	0.5
152.11546	0.1
153.12772	0.6
168.89066	0.1
171.04375	0.6
179.08629	0.2
187.28598	0.1
189.06970	0.2
191.08630	0.3
197.02409	0.1
207.08064	0.5
213.09140	0.5
218.07359	0.2
219.08026	0.6
235.07556	1.4
237.09062	0.6
247.07468	0.7
249.05501	0.2
263.07007	4.0
265.08575	1.5
273.05310	0.2
281.08029	1.2
286.61090	0.1
291.06494	9.1
309.07547	15.9
310.07959	0.3
327.08618	4.2
355.82947	0.1
437.83841	0.1
445.20071	8.0
446.20163	0.2
463.20923	0.5
557.16412	0.3
570.89819	0.1
616.17383	0.3
628.70233	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	616.2917
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05477	0.7
56.05034	1.2
56.96576	4.1
57.07051	0.8
58.06603	1.2
60.08170	5.7
67.05505	3.5
71.07381	3.7
71.59527	0.6
71.60522	1.1
72.08154	1.2
75.19437	0.6
79.05488	3.4
81.07054	23.0
82.07378	3.6
86.09705	22.8
91.05472	4.7
92.05835	0.7
93.07043	6.4
95.04988	0.8
95.08607	3.7
99.91032	0.6
102.92618	1.0
104.10742	100.0
105.07014	2.7
107.08598	13.2
107.09293	1.0
108.08920	2.6
109.10161	1.3
115.97880	0.7
119.04956	4.9
119.08569	0.9
120.05315	1.4
123.11724	1.3
125.00009	2.7
133.06552	0.8
133.10139	2.4
135.11696	8.1
136.12038	2.6
137.13260	7.5
138.13597	2.8
146.99635	1.2
147.04408	20.1
148.04736	6.5
149.01239	0.6
151.11171	3.3
152.11543	1.2
153.12709	0.8
154.94194	1.5
161.01381	0.8
172.95227	5.3
180.95764	1.0
184.07335	7.7
190.96277	4.6
195.96890	0.9
198.96794	11.5
204.14598	0.7
209.37502	0.6
210.96768	0.8
213.09093	0.9
216.97850	17.2
221.98430	1.3
228.97775	3.2
233.72765	0.7
234.99023	0.8
239.99475	1.4
240.10056	1.8
254.99380	1.2
282.03970	1.2
283.01990	1.7
299.16302	1.1
300.05383	0.7
315.15894	1.0
317.17862	20.7
321.04926	1.5
335.18884	13.4
335.25281	0.7
358.20612	4.7
387.09631	0.8
437.17685	1.1
441.17230	1.5
453.17206	1.7
471.17926	4.4
494.19614	1.3
497.19836	4.5
500.24524	10.2
556.27203	20.0
616.29083	17.5
616.82178	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.3538
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01841	0.7
55.05510	5.1
55.63269	0.7
57.03422	1.8
57.07070	1.1
58.63341	0.7
58.76926	0.7
65.03928	1.2
65.11354	0.7
67.05173	1.2
67.05503	18.3
68.98395	0.6
69.03426	7.8
69.07068	7.7
69.63931	5.3
71.04993	5.7
73.02905	0.8
79.05489	6.8
81.03386	1.4
81.07055	26.6
83.04967	1.6
83.08627	6.0
85.02908	7.0
85.06541	4.0
86.09703	1.9
87.04466	3.3
91.05467	4.4
93.07036	11.9
95.04934	1.8
95.08601	31.6
95.37196	0.6
97.02885	7.3
97.06512	1.5
97.10168	5.5
98.20834	1.5
105.07048	3.9
107.04952	1.4
107.08573	8.0
109.02857	1.5
109.10152	20.9
111.08061	1.5
111.11705	1.1
112.07616	0.7
115.03909	4.9
117.06991	1.4
119.08564	4.0
121.06474	1.7
121.10136	15.3
123.08044	1.1
123.11707	7.7
126.35842	0.7
127.03910	2.0
129.05457	1.0
131.08571	4.0
133.04958	3.9
133.10126	10.2
135.08061	1.9
135.11690	9.5
137.05951	1.3
137.09593	3.6
137.13254	3.7
137.21284	0.7
139.07527	1.2
145.04948	1.3
145.10095	2.3
147.04408	5.4
147.11658	2.0
149.09554	1.6
149.13237	4.9
151.11157	3.2
153.09071	1.4
159.11699	2.6
161.13321	0.9
163.03871	2.1
163.11102	1.1
167.07082	2.0
167.10625	0.9
173.13245	2.1
177.12790	1.7
187.14763	0.9
189.16315	1.0
191.17958	10.4
195.13803	1.0
209.15454	0.7
209.18990	8.7
215.17967	9.0
225.22157	4.1
227.20015	1.3
233.18962	5.6
251.20071	12.8
256.14691	0.7
260.61813	0.7
269.21115	25.2
277.12186	0.8
287.22156	100.0
305.23199	51.1
433.03845	0.8
617.17841	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
55.19239	2.0
57.03426	4.9
67.05507	1.7
69.03425	4.2
69.07024	1.6
69.33251	17.7
71.05000	19.5
73.02908	3.6
75.04494	2.5
76.68225	1.5
79.05488	9.1
81.03403	3.3
83.04980	5.9
85.02426	2.5
85.02908	32.6
91.05481	4.2
95.04941	4.3
97.02881	2.4
105.07027	1.9
107.04957	27.0
111.04452	2.6
115.05460	4.5
116.06300	1.8
117.07006	5.5
119.04897	1.9
121.06460	2.1
123.04435	6.6
124.05203	2.5
125.05972	3.0
127.03911	1.7
128.06184	2.1
129.05476	7.4
129.07013	6.4
131.04965	2.6
131.08556	10.9
133.04956	1.7
133.06462	3.2
134.03452	1.5
135.04446	5.5
137.05968	3.3
141.06985	4.9
144.05753	8.2
145.02859	3.9
145.06476	13.0
147.06505	2.4
152.04652	2.4
153.05472	4.2
153.06989	2.0
155.07028	2.6
156.05731	8.4
157.06497	4.4
158.07310	2.0
159.08041	21.3
161.06000	4.5
163.03903	35.1
167.07036	100.0
169.06421	2.7
170.07263	2.0
171.08075	1.9
173.05991	13.4
174.06758	2.3
175.07507	2.9
177.05537	1.6
181.08598	6.7
184.05287	2.5
187.07559	21.6
189.09111	4.6
190.06325	8.8
191.07043	2.2
193.08614	3.9
201.09193	2.1
202.06282	5.7
203.07083	2.0
204.07710	4.0
205.08604	21.6
209.07913	1.7
211.07533	2.0
215.06952	2.2
217.06520	3.3
217.08609	62.1
218.07301	2.2
218.09270	1.8
219.08060	4.4
219.10103	23.6
220.08830	2.0
221.11716	3.5
229.08537	5.2
231.08087	3.7
231.10182	8.3
232.08960	1.7
233.09569	4.5
235.09486	4.0
237.60600	1.6
246.06931	2.0
247.07446	4.5
247.09683	23.9
247.25740	1.8
248.08337	5.9
249.05551	1.8
249.08759	3.6
249.11229	48.6
261.09222	4.0
262.10080	3.9
263.07059	2.5
263.10675	7.1
264.07828	6.5
265.08353	2.7
265.10809	5.4
269.08041	3.5
271.09631	3.4
275.07098	3.5
276.07761	5.1
277.08435	2.8
279.10184	9.6
290.09457	3.3
291.10129	5.4
292.07321	2.6
293.08066	5.6
293.11310	1.8
294.08746	1.9
299.09183	4.6
305.07950	1.9
307.09445	7.8
308.10284	4.9
311.12704	5.4
315.08606	8.3
319.09351	3.3
321.07468	2.0
323.12775	5.3
325.10413	2.5
330.10944	12.2
331.11844	3.1
335.09030	1.8
336.09680	2.0
337.10745	5.7
339.12244	4.5
343.11774	3.3
350.11624	2.9
351.12292	7.4
352.13232	1.9
353.10361	3.5
368.12616	9.4
369.13663	1.8
371.14923	14.1
383.14896	85.2
385.16440	5.3
401.15970	83.8
423.20392	1.6
445.73166	1.6
448.69000	1.6
517.46143	1.6
644.60828	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84209	0.3
53.03921	1.1
55.01852	1.1
57.03424	0.4
61.02905	0.7
65.03925	0.4
67.05488	0.4
69.03437	1.9
70.06593	0.5
71.00789	1.2
71.04971	1.3
73.02923	0.4
77.03896	0.5
78.04696	1.6
79.05496	8.0
81.03387	1.3
81.07050	0.9
83.04964	0.5
85.02901	5.5
86.09676	0.7
87.04475	0.4
91.03949	0.3
91.05469	4.1
91.10277	0.4
93.07028	1.1
94.06635	0.4
95.04959	3.4
97.02862	1.7
103.05447	1.5
103.11932	0.4
105.07009	1.7
106.04111	0.6
107.04951	23.8
108.05255	0.5
109.02831	0.5
109.06503	0.6
111.04482	0.5
112.78393	0.4
115.05434	3.2
116.06203	1.3
117.07005	4.9
119.04903	1.0
121.06477	1.8
122.03636	0.5
123.04425	5.4
124.05204	5.4
125.05998	3.6
127.03896	1.2
128.06212	2.4
129.07010	5.8
129.78847	0.3
131.04922	1.4
131.08548	9.2
133.02835	1.0
133.05006	0.5
133.06505	2.2
137.05977	1.4
140.04657	0.8
141.06979	4.2
143.04897	1.1
143.08530	1.2
144.05701	6.2
145.04810	0.6
145.05106	0.5
145.06477	10.5
147.04393	1.1
147.08032	0.7
148.07513	0.4
149.05978	0.7
151.03856	0.9
152.04675	2.6
152.05721	0.6
153.05452	2.1
153.06979	0.5
155.04895	1.0
155.05972	1.0
155.07022	3.9
155.08330	0.6
156.05684	13.8
157.06482	4.6
158.07280	1.3
159.04422	0.5
159.08047	19.9
161.05991	3.5
161.09549	0.8
163.03941	2.8
165.05515	0.8
165.06885	0.5
167.07031	100.0
168.07381	1.5
169.06363	2.0
169.07631	1.0
170.07280	2.1
171.04413	0.4
171.08003	1.4
172.05226	2.0
173.05978	16.8
174.06705	1.7
175.07504	2.2
177.05423	1.5
179.07018	1.0
181.04955	1.2
181.06924	0.7
181.08571	5.4
181.46239	0.5
183.06555	0.7
183.08025	0.5
184.05144	3.7
185.05977	0.9
186.06721	2.6
187.07539	19.2
188.08255	0.9
189.05432	0.7
189.09050	2.8
190.04613	0.7
190.06238	8.7
190.07741	0.7
191.06979	1.5
191.08559	0.9
193.08588	2.8
195.06496	0.7
198.06659	0.5
199.07570	2.2
200.08281	0.9
201.09048	2.0
202.06215	7.0
202.07799	0.6
203.06990	2.1
203.08601	0.9
203.10504	0.5
204.07794	3.0
205.06795	0.9
205.08577	26.1
207.06458	1.6
207.08083	1.0
207.10172	1.1
208.05171	0.5
208.08789	0.6
209.07974	0.6
210.06741	0.8
211.07431	0.7
214.06200	0.6
215.06953	3.5
215.08676	0.5
216.07745	0.7
217.08585	71.9
218.07243	1.6
218.09067	1.1
219.08023	6.1
219.10155	17.4
220.08858	2.2
221.06041	0.9
221.09784	0.8
221.11668	2.3
223.07530	0.5
223.09442	0.8
223.11288	0.6
229.08640	4.6
230.07318	0.6
231.08006	3.1
231.10162	10.7
232.08839	1.3
233.05894	0.8
233.09676	3.6
234.06772	0.9
234.10289	0.5
235.07460	1.6
235.09514	5.6
236.08386	2.7
237.09044	1.2
237.11200	0.5
238.06267	0.6
239.07051	0.8
244.08900	0.4
245.09508	1.9
246.06660	0.8
247.07449	6.2
247.09660	26.0
248.08295	5.9
249.05565	1.1
249.09090	1.5
249.11221	29.8
250.06233	0.8
251.07034	0.6
251.10640	2.4
252.07626	0.6
253.08571	0.6
254.05724	0.7
255.06363	0.6
256.07214	0.8
258.06717	0.6
259.07590	1.5
260.08386	1.0
261.09128	3.4
262.09921	2.7
263.07025	2.1
263.10654	5.8
264.07831	6.0
265.08414	2.6
265.10724	7.1
266.05606	0.4
267.06543	0.7
267.09799	0.5
268.10760	0.5
269.07947	1.9
271.09680	2.8
273.09119	1.3
274.06223	0.6
275.07034	3.1
276.07767	4.5
277.08606	2.5
277.11475	0.4
278.05853	0.4
278.09360	1.0
279.06891	0.7
279.10135	7.8
280.10831	0.8
281.08026	1.6
281.11203	0.5
282.08844	1.0
285.07452	0.6
287.06940	0.5
289.08578	1.6
290.09229	2.6
291.06808	0.6
291.10117	8.4
292.07300	3.1
292.10611	0.6
293.08105	5.7
293.11703	1.0
294.08707	1.0
295.09631	0.8
296.10440	1.7
299.09161	2.1
301.06866	0.9
304.07285	1.1
305.08041	2.1
305.11621	0.8
306.05316	0.4
306.08728	1.0
307.06140	0.9
307.09607	7.9
308.10422	3.2
309.07660	0.9
309.11200	1.0
310.08392	1.1
310.16022	0.4
311.09293	0.6
311.12741	2.2
313.10727	0.5
315.08624	6.9
316.09418	0.8
318.08823	1.0
319.09592	4.2
320.06799	0.8
320.10443	1.2
321.07513	2.7
321.11301	2.1
322.08411	1.0
322.11951	1.7
323.09259	0.6
323.12674	5.6
324.09894	0.7
325.10672	1.2
326.11484	0.8
328.09366	0.6
330.10938	11.3
331.11771	3.0
333.11380	0.7
335.09125	1.7
336.09866	3.1
337.10709	4.9
338.07791	1.0
339.12280	4.5
340.13034	0.8
341.10059	0.6
343.11832	2.3
350.11389	2.3
351.12247	9.6
352.12949	1.5
353.10193	6.0
353.13998	0.6
355.11768	0.4
356.12576	2.0
368.12558	10.2
369.13196	2.2
371.14850	14.7
373.16351	0.6
383.14865	89.1
384.15219	1.5
385.16476	10.9
389.15863	0.9
401.15936	77.9
402.16296	1.5
403.17377	0.9
419.16916	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.3319
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05477	0.3
65.03639	0.2
65.03919	1.1
67.05496	0.8
69.07062	0.3
69.45579	0.2
70.00125	1.2
74.85049	0.2
75.59389	0.2
79.05483	1.3
81.07056	3.9
82.07384	0.2
91.05479	10.1
92.05769	0.3
93.07043	12.1
95.04950	0.7
95.08598	1.1
97.78100	0.2
105.07039	0.7
107.04943	0.3
107.08595	9.6
108.08896	0.2
108.61928	0.2
109.06493	0.3
109.10136	1.0
119.04939	22.1
119.08530	0.4
120.05254	0.3
123.11754	0.3
135.11690	18.6
136.12024	0.4
137.13263	1.9
138.97581	0.2
147.04404	100.0
148.04773	1.3
153.12746	0.6
165.05481	4.4
213.09023	0.3
299.09094	0.8
299.16412	3.4
314.16782	0.2
340.77625	0.2
376.27420	0.2
394.86951	0.2
449.33725	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83157	0.9
53.03943	1.9
54.86480	1.0
55.01863	2.5
57.03430	1.6
65.03924	1.5
67.05503	1.1
69.03417	1.3
69.97491	5.9
71.04998	5.0
71.11047	1.0
75.04487	5.0
78.04699	2.5
78.07186	0.9
79.05488	1.6
81.03415	1.9
85.02900	12.0
89.03924	1.9
89.06059	1.1
91.05471	12.6
93.03399	12.3
93.07004	4.8
95.04964	5.2
97.06551	2.0
98.21525	1.1
99.04477	0.9
103.05469	3.3
105.06992	1.7
106.04172	26.4
107.04974	3.1
109.02876	1.1
110.66821	1.1
111.04418	1.4
117.03375	1.9
119.04926	1.1
121.06499	28.4
123.04410	2.3
125.05978	6.9
125.11122	0.9
129.05490	1.1
133.06529	1.7
134.03601	5.0
135.04419	3.6
137.06013	6.4
138.06686	1.3
139.07542	2.2
142.41521	1.2
145.02895	1.5
148.05153	3.0
149.04767	2.1
149.05972	40.2
151.07596	2.1
153.05421	3.3
153.09087	12.4
161.05994	3.3
163.03899	16.9
163.07562	2.7
165.05406	1.4
166.06261	1.5
167.07072	3.4
177.05460	22.7
181.08575	20.0
191.07011	2.5
191.08566	1.1
193.08565	2.1
209.08083	100.0
210.08565	1.9
211.09454	0.9
257.32208	1.0
331.10098	1.4
369.13416	1.7
383.14954	1.6
387.14316	4.6
388.09430	1.1
391.17148	1.2
419.16864	1.2
617.14514	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	615.3313
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.7
53.14220	0.3
55.05510	1.0
56.80168	0.3
57.07066	1.0
60.92543	0.3
65.03939	1.2
67.05502	4.3
67.85267	0.2
69.07063	2.2
77.03913	0.4
79.05489	12.8
81.07053	18.9
83.04985	0.6
85.06528	1.4
91.04886	0.5
91.05476	15.0
93.07039	33.7
94.07413	0.3
95.01327	0.8
95.04980	3.3
95.08604	7.0
97.06492	0.4
99.00853	0.5
105.04509	0.4
105.07027	4.9
107.04965	2.6
107.08589	84.1
108.08929	0.7
108.71302	0.3
109.06534	2.0
109.10148	5.7
117.01810	0.3
119.04937	13.2
119.08569	0.3
120.05732	0.6
121.02872	0.4
121.10145	0.3
123.04427	0.3
123.11715	1.2
133.10097	0.8
135.11684	100.0
136.12054	0.8
137.12302	0.5
137.13251	6.2
147.04417	2.5
151.11179	3.9
153.12735	10.2
167.08548	0.7
169.12233	0.3
195.08054	1.2
205.12262	2.8
212.08234	0.5
213.09097	21.8
214.09433	0.5
233.11707	6.2
237.09138	0.3
251.12801	0.6
258.55203	0.3
265.08554	0.4
269.69250	0.3
311.09055	0.7
329.10223	0.4
440.69568	0.3
461.19199	0.8
463.20721	0.6
515.34735	0.3
588.56641	0.3
597.31610	0.5
615.32166	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.3314
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.9
55.05521	0.8
57.07073	1.3
65.03946	0.5
67.05138	0.2
67.05500	6.0
69.07068	1.1
71.08636	0.6
71.24590	0.5
76.13468	0.3
78.25269	0.3
79.05492	5.1
81.07055	100.0
82.07398	0.7
89.06031	0.4
91.05480	3.0
92.81148	0.3
93.07020	2.1
95.04977	1.4
95.08604	10.0
105.07027	1.5
107.04945	0.6
107.08596	11.3
109.06551	1.0
109.10153	59.8
110.10501	0.4
119.04927	3.3
123.08087	1.6
123.11703	6.9
133.08626	0.4
133.10129	2.7
135.11697	3.3
137.13252	47.6
147.04422	1.3
150.92722	0.3
151.11180	18.9
152.11510	0.5
159.22383	0.3
164.33211	0.3
169.12239	30.5
180.13318	0.3
210.14946	0.4
213.09099	6.1
422.79449	0.3
430.27151	0.3
466.02136	0.3
542.36475	0.3
629.69739	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.3311
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.8
55.05494	1.1
57.07084	0.9
59.70010	0.5
65.03935	1.3
67.05507	3.1
69.07063	1.2
70.06588	0.6
71.62668	0.5
71.63038	0.6
79.05116	0.5
79.05476	2.8
80.96536	0.5
81.03425	0.6
81.07047	3.6
86.09692	0.8
91.05477	15.5
93.07041	73.2
95.04962	1.6
95.08604	18.5
105.07014	2.1
107.08588	17.5
108.08920	0.6
109.06532	0.7
109.10144	5.7
111.11790	0.5
118.15881	0.5
119.04939	20.6
119.08566	1.1
121.10104	0.5
133.10081	0.5
135.11688	39.4
137.13242	0.7
147.04402	100.0
148.04709	0.8
153.12737	4.2
165.05464	9.8
181.09741	0.6
229.14041	0.5
234.19164	0.5
246.99319	0.5
294.59137	0.5
299.16388	9.1
303.88113	0.6
336.53912	0.5
371.89929	0.6
435.97037	0.6
476.81689	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.0
55.01858	2.5
55.05505	0.9
61.65237	0.7
65.03937	7.3
67.05499	1.9
69.03427	2.3
70.06602	0.9
71.04996	1.7
71.59187	1.1
72.08150	0.9
73.02905	0.8
78.04679	1.0
79.05491	2.9
81.03416	2.3
81.07056	1.2
82.04184	1.5
84.08139	0.8
85.02898	4.0
86.09694	2.2
91.05485	4.3
93.03407	2.1
93.07022	1.1
95.01320	1.0
95.04970	3.5
97.02927	0.9
97.06503	1.4
99.04449	1.2
103.05467	2.6
105.03437	0.7
105.04459	0.6
105.07037	3.5
106.04199	0.9
107.04955	5.8
108.02097	0.7
109.02866	1.2
109.06511	1.3
110.03680	6.7
111.04448	11.1
115.05489	1.5
117.06998	1.4
119.04955	3.1
119.08571	0.8
121.02857	5.7
121.06499	2.8
123.04424	4.2
123.08043	0.6
124.05205	0.9
125.05989	11.1
127.03856	0.9
129.06996	2.5
129.10294	0.7
131.04912	4.7
131.08562	0.9
133.02834	1.8
133.06496	3.5
135.04430	2.3
135.08051	0.9
137.05968	10.4
138.03088	1.0
139.03908	1.6
143.04953	0.8
145.06516	1.6
147.04408	4.7
147.08038	1.2
148.05171	1.0
149.02348	1.8
149.05966	3.4
151.03879	3.0
151.07567	3.1
153.05464	21.8
155.07062	1.9
157.06540	1.7
159.08072	1.7
161.05986	6.7
161.09631	1.6
162.06694	1.3
163.03915	6.2
163.07512	2.7
165.05476	3.4
165.06967	1.7
165.09175	1.1
166.06114	0.7
167.07051	21.5
167.08447	1.1
168.07332	1.0
171.06581	1.6
173.05998	1.0
174.06709	1.5
175.07545	4.1
177.05463	2.7
177.09236	0.8
178.07741	1.3
179.06966	1.9
179.08446	1.3
180.07793	1.4
181.04968	23.8
181.06424	1.5
181.08604	2.1
182.05353	1.7
183.08018	1.1
184.05116	0.9
187.07529	1.3
189.09119	3.7
191.07036	2.4
193.04979	1.7
193.06700	0.7
193.08574	2.7
194.07240	0.8
195.08098	1.9
197.05954	1.6
197.07899	0.8
197.09608	1.0
201.09122	0.8
203.06924	0.8
205.06578	1.1
206.07283	0.8
207.06491	2.6
207.08191	1.4
207.10094	1.4
208.07248	2.7
209.06160	1.2
209.08113	4.3
210.06709	1.4
211.07570	1.5
211.09598	1.2
212.08434	1.6
217.06554	1.1
217.08557	1.1
217.86487	0.7
218.07227	1.3
219.08096	1.7
219.10187	2.5
220.08723	0.8
221.06105	1.3
221.09706	2.2
222.06804	0.9
222.10323	0.8
223.07504	3.3
223.11163	0.8
224.08232	1.3
225.07349	6.3
225.09253	1.9
226.08263	1.2
227.06979	2.1
227.10663	1.3
233.07951	1.2
234.06760	1.6
235.07530	2.1
235.09543	0.8
236.08316	0.7
237.09077	2.0
238.06267	1.6
238.09908	2.3
239.07048	4.4
239.10652	2.1
240.07822	6.9
241.08546	1.8
241.45473	0.8
247.07451	1.4
248.08298	0.9
249.09065	2.4
249.11317	0.9
250.06198	0.8
250.76065	0.7
251.07071	3.4
251.10666	1.5
252.07780	3.1
253.08597	12.7
253.12180	4.1
254.09346	3.1
255.06598	1.9
255.10008	3.5
257.07980	2.0
257.11569	0.8
261.09348	0.8
263.06995	2.0
264.07608	0.8
265.08563	2.5
266.09390	2.8
267.06436	1.9
267.10168	4.3
268.07428	2.4
269.08194	3.5
270.08902	2.1
271.13266	1.1
277.08560	2.4
278.09402	1.6
279.10095	1.7
281.08127	3.8
281.11737	6.0
282.08804	1.7
283.09634	7.1
284.10297	2.1
285.08102	0.9
285.11182	4.3
285.14517	1.4
287.05484	2.5
294.08783	1.6
295.09781	3.3
296.10342	1.6
297.11273	2.1
298.08752	0.8
298.12048	2.2
299.09460	1.3
299.12762	5.0
300.09799	1.1
303.15854	1.2
307.09760	1.2
309.07971	1.3
309.11246	6.6
310.11963	1.9
311.09244	1.2
311.12561	1.7
312.09570	0.8
313.10718	7.3
313.14316	3.4
321.11325	0.9
323.13062	0.9
325.10693	1.2
326.11429	1.1
327.08414	1.2
327.12292	25.0
328.12881	2.2
329.10318	1.2
329.13812	5.0
331.15518	1.9
339.12207	6.1
341.13882	3.9
343.15381	1.9
353.13965	1.1
357.13354	4.9
359.14883	100.0
360.15222	4.1
361.16245	2.1
371.14957	12.8
372.15070	1.5
387.14346	2.0
388.14615	1.1
389.16019	4.3
390.17453	0.7
420.65103	0.7
503.16922	1.7
511.27917	0.8
535.19336	1.0
615.20563	4.7
633.34772	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.0
53.37881	0.6
55.01865	4.8
57.03406	0.8
65.03651	0.7
65.03935	7.4
67.05490	2.7
69.03410	1.8
69.07026	0.7
69.48760	0.5
70.39877	2.9
71.01347	0.7
71.04984	1.3
77.03914	0.8
78.04702	0.8
79.05488	3.5
81.03417	1.4
81.07065	2.9
82.04175	1.7
83.04966	1.0
85.02906	3.5
91.05471	4.9
93.03392	1.5
93.07016	2.1
95.01290	0.9
95.04955	2.8
95.08598	1.5
97.06555	0.9
103.05459	6.0
105.03407	0.9
105.07045	3.2
107.04954	4.0
107.08556	0.8
108.02124	1.0
109.02827	0.9
109.06466	1.0
109.10188	0.8
109.13969	0.5
110.03656	7.3
111.04449	11.1
115.05443	0.8
116.41933	0.7
117.06991	1.6
118.04173	1.0
119.04913	3.8
119.08584	1.0
119.79462	0.6
121.02855	5.5
121.06506	1.6
121.10114	0.9
122.03676	0.7
123.04424	5.2
123.11723	0.8
125.05988	9.9
127.03895	1.0
129.05446	0.7
129.07021	1.3
131.04919	8.5
131.08534	0.6
133.02846	2.3
133.06480	2.7
133.10094	1.0
135.04419	1.4
135.08018	1.4
135.11676	1.0
137.02275	0.7
137.05971	11.5
137.09529	0.7
138.03061	1.1
140.04662	0.8
144.05716	0.9
145.06450	1.7
147.04398	5.1
147.08052	0.9
148.05142	2.9
149.02339	2.7
149.05971	2.0
150.09126	1.4
151.03906	2.3
151.07532	2.1
152.04680	1.1
153.05460	22.0
154.05884	1.4
155.07008	0.9
157.06447	1.0
157.10124	0.7
159.08023	1.5
161.05963	4.5
161.09595	1.9
162.83992	0.6
163.03885	2.7
163.07527	7.3
164.04622	0.6
165.05470	2.7
165.06918	0.9
167.07034	53.4
168.07408	1.8
171.06526	2.0
173.05995	1.6
174.06721	0.6
175.07536	3.3
176.04568	0.7
177.05469	5.0
179.07007	1.9
179.08559	1.2
180.07756	1.4
181.04958	28.0
181.06378	1.1
181.08530	1.9
182.05466	1.1
183.06613	0.9
183.08072	0.7
184.05219	1.0
187.07552	1.4
189.09122	1.6
191.07024	35.0
192.07739	1.2
193.04959	2.0
193.08636	1.8
195.06526	0.9
195.08073	2.3
195.09779	0.6
197.05988	1.3
197.09607	1.2
199.07594	0.8
205.08490	1.3
207.06425	1.7
207.08167	1.5
207.10046	1.1
208.07243	2.3
209.06105	0.9
209.07986	6.4
210.06802	1.2
210.10214	0.7
211.07498	2.5
211.09691	2.4
217.08470	1.3
219.08134	0.9
219.10088	1.3
220.08774	0.8
221.07903	3.9
221.09901	0.9
222.06781	0.7
222.10231	0.7
223.07600	3.1
223.11110	0.9
224.08238	1.6
225.07411	7.6
225.09447	1.4
225.31787	0.7
226.08205	1.1
227.07098	1.5
227.10701	0.8
233.08035	0.8
235.07576	1.5
237.05531	0.7
237.09070	2.3
238.06181	1.4
238.09943	1.6
239.07005	2.1
239.10690	1.3
240.07742	5.5
241.08466	1.1
249.09084	2.6
249.11353	1.5
250.09787	0.9
251.07014	2.3
251.10663	1.3
252.07732	1.7
253.08595	12.8
253.12161	4.9
254.09384	1.9
255.06490	1.1
255.10196	3.5
257.07993	1.8
263.10800	0.9
265.08588	1.6
266.09326	2.5
267.06714	0.8
267.10080	2.5
268.07382	2.1
269.08160	3.9
270.08856	2.1
270.12213	0.8
276.99997	1.9
277.08688	1.5
278.09537	0.7
279.10175	0.9
281.08508	4.5
281.11337	4.8
282.08899	1.3
283.06375	0.9
283.09665	6.3
284.10425	3.2
285.07938	0.6
285.11218	2.2
285.14859	1.7
294.08630	1.1
295.09711	3.2
297.11230	2.0
298.12048	1.7
299.12784	5.8
303.15921	0.9
309.11035	5.5
310.11844	2.0
311.09155	0.9
313.10724	8.0
313.14319	3.4
317.10339	0.8
325.10669	1.4
326.11343	1.3
327.12268	23.1
328.12903	2.1
329.10114	1.0
329.13763	0.9
331.15274	3.0
339.12241	2.2
340.12839	0.9
341.13794	4.5
353.13678	1.2
357.13226	1.8
358.13464	1.1
359.14862	100.0
360.15216	2.3
361.16425	1.0
371.14935	5.6
372.15598	1.0
375.14182	1.0
387.14102	1.7
389.15942	8.2
418.16074	2.5
503.16769	1.9
535.19635	1.5
597.23901	1.2
615.23486	2.4
615.33319	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	0.7
53.03943	0.3
55.01867	1.6
57.03433	0.7
65.03900	0.4
67.05493	0.5
69.03419	1.6
69.45628	2.8
71.04981	0.5
73.02944	0.3
77.03935	0.6
81.03416	2.1
81.69419	0.2
84.05508	0.3
85.02892	3.6
91.05480	0.8
94.03230	0.3
95.01329	0.4
95.04964	1.8
97.02875	1.0
98.21521	0.5
99.04436	0.4
103.03931	0.6
105.03370	1.3
107.04923	0.7
109.02859	1.0
111.04453	0.4
112.11318	0.3
119.04946	0.7
121.02855	1.9
123.04419	100.0
124.04745	0.9
127.03909	0.6
131.04919	0.5
131.08540	0.3
133.06531	0.6
135.04413	1.3
137.05971	1.3
139.03838	2.1
140.07039	0.4
141.06976	0.4
143.04936	0.4
145.02846	0.3
145.06532	0.7
147.04401	4.4
149.02324	0.6
149.05992	0.7
151.03902	2.0
157.06427	0.6
159.04347	0.7
161.05971	1.2
163.03882	5.2
165.05464	16.8
169.04962	0.5
169.06320	0.4
171.04396	0.8
173.05998	0.9
175.03896	3.6
175.07562	0.4
177.05486	2.1
181.04979	2.7
181.06407	0.4
185.05904	0.7
187.03912	2.0
187.07715	0.3
189.05449	3.3
191.03401	0.6
193.04958	3.5
193.06554	0.5
197.05981	0.9
199.03964	0.5
199.07533	0.4
201.05487	2.1
203.03339	0.8
203.07115	0.9
205.04955	7.4
207.06538	0.4
213.05486	1.9
215.03462	0.5
215.06966	0.6
217.04951	7.5
219.02876	0.6
219.06444	1.2
221.04416	0.8
223.05998	1.0
225.05441	0.8
227.07080	1.0
229.04947	3.0
231.06494	2.2
233.04347	1.0
235.05966	3.2
235.07726	0.3
237.05525	0.4
239.07182	0.3
241.04822	1.7
243.06534	1.8
245.04419	0.4
245.08176	0.5
247.06021	5.7
253.04932	0.7
255.06509	1.1
257.04492	0.8
259.05975	8.1
261.07602	0.4
265.04779	0.5
267.06519	0.6
269.04477	0.4
269.07956	0.4
271.05975	5.1
273.07605	1.4
277.07053	2.6
279.06500	0.7
281.08041	0.5
283.05878	2.6
285.07547	1.6
289.07086	1.8
291.08994	0.5
293.07971	0.7
295.05859	0.6
297.07510	2.4
299.05499	0.6
301.07010	3.7
303.08893	0.4
307.05704	0.4
309.07541	1.3
311.05484	0.4
313.06982	1.9
315.08441	1.4
319.08163	0.7
321.07529	0.5
323.05539	0.6
325.06937	2.3
327.08731	1.5
333.09647	1.3
339.08621	1.4
343.08154	1.9
345.09695	2.8
351.08673	1.2
355.08099	0.6
357.09683	3.0
361.09238	0.4
363.08612	1.3
369.09659	4.3
375.10406	1.1
381.09607	3.8
385.09271	0.3
387.09158	1.6
393.09604	2.1
399.10883	5.2
405.09573	1.8
409.08884	0.4
411.10751	6.1
417.11044	0.3
423.10760	6.2
429.11871	1.8
435.10562	4.4
441.11707	2.8
447.12906	10.0
448.12442	0.3
453.11844	0.5
459.12900	3.1
465.11755	5.3
477.13046	4.5
483.12790	3.2
489.11823	0.8
495.12909	2.9
501.13934	3.6
507.12857	1.6
513.13928	6.2
525.14130	2.5
543.14923	2.5
561.15826	2.1
579.17316	0.7
599.43799	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.4825
Annotation	1.3-dilinolenin
Peak:m/z	Relative Intensity
52.10353	0.6
52.90132	0.6
53.03945	2.0
53.22791	0.5
54.83384	0.8
55.01873	0.7
55.05260	0.9
55.05511	12.6
57.03442	4.1
57.07071	2.7
65.03938	2.4
67.05503	40.3
69.06723	1.0
69.07069	14.7
71.04987	1.6
71.08631	1.1
71.60217	0.9
75.98595	0.6
79.05059	1.2
79.05496	19.0
81.07056	40.4
83.04977	1.5
83.08613	7.5
85.06554	1.1
85.18340	0.5
91.05479	15.2
93.07041	26.3
95.04965	2.8
95.08606	40.4
97.06540	1.8
97.10170	4.8
99.08106	1.1
100.39510	0.6
105.07030	16.1
107.07870	1.2
107.08594	20.3
109.06530	1.2
109.10156	17.7
111.08067	1.5
111.11706	0.7
115.05466	0.6
117.07014	6.3
119.06046	0.7
119.08581	19.8
121.10145	16.7
121.11021	0.8
123.08056	1.2
123.11700	7.5
125.09632	1.5
129.07019	3.5
131.08568	15.0
133.10132	15.1
133.11073	1.1
135.11696	12.5
137.09593	0.6
137.13252	2.6
139.11160	0.7
142.07803	0.9
143.08553	4.4
143.58534	0.6
144.09364	0.8
145.10120	14.6
146.10779	0.6
147.11681	12.8
147.12790	0.9
149.09720	0.8
149.13284	5.7
155.08537	1.4
157.10124	4.2
159.11699	11.5
161.13272	8.3
163.11218	1.2
163.14827	3.0
165.16328	0.8
169.10112	1.7
171.11687	4.8
173.13290	9.5
175.14841	4.8
177.16394	1.3
181.10269	0.7
183.11722	1.9
185.13266	4.6
187.14838	6.1
189.16356	2.9
191.14323	0.6
191.17921	0.9
195.11739	1.0
197.13332	1.2
199.14842	2.7
201.16461	2.9
203.17981	1.7
205.16003	0.7
209.13229	0.9
211.14944	0.7
213.16454	1.9
215.17996	1.5
217.19603	1.5
225.16444	0.8
227.18079	1.6
229.19472	0.7
231.21146	2.0
241.19574	2.1
243.21202	2.5
247.20668	0.7
259.20596	6.4
261.22141	7.7
263.23755	1.3
277.21698	1.0
297.24677	0.6
299.23798	1.7
307.22424	0.7
315.23096	0.6
317.24756	1.5
323.25824	1.3
327.26938	0.8
333.24228	5.0
335.25824	12.6
337.27347	7.3
341.28668	0.7
355.29996	1.4
489.35870	1.8
491.37668	0.9
503.37219	1.6
517.39117	0.9
521.43689	4.9
529.39020	2.0
539.44727	3.4
543.40155	1.1
595.47205	11.3
613.48236	100.0
614.48608	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	613.3153
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	0.8
53.03952	2.5
55.01853	0.5
55.05508	1.5
64.09441	0.4
65.03953	1.3
67.05499	3.3
68.40511	0.5
69.07069	1.9
69.40513	2.5
69.40939	2.3
78.64145	0.5
79.05493	12.9
79.05961	0.7
81.07053	6.3
89.01410	0.5
91.05477	13.5
91.06008	1.0
92.95957	0.6
93.07043	50.1
95.04965	4.2
95.08626	0.8
105.04559	0.9
105.07034	7.0
107.04970	1.1
107.08593	89.1
108.08953	0.7
109.06511	2.4
109.10158	2.8
110.10527	0.6
119.04946	2.3
121.02853	0.6
123.11700	4.2
133.10124	2.7
135.11690	100.0
137.05978	20.4
138.06306	8.9
139.06468	1.9
143.04987	0.7
147.04420	9.2
151.11159	1.0
153.12753	1.1
164.03812	0.6
170.15298	0.7
171.04384	1.0
179.08517	1.1
182.15419	1.3
189.07004	1.2
190.07738	0.6
191.08531	1.0
207.08078	3.6
213.09129	0.7
217.06570	0.6
219.08029	0.7
234.63234	0.7
235.07538	9.2
237.09094	0.7
247.07509	0.7
253.08536	1.9
256.07410	0.6
263.07034	11.2
265.08591	0.9
281.08063	5.5
291.03305	1.0
291.06503	15.3
306.20587	1.1
307.21027	1.6
309.07559	12.4
337.44745	0.6
415.18808	1.5
443.18518	11.8
461.19678	3.1
496.66327	0.6
523.61975	0.6
595.30170	1.6
613.31830	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.4825
Annotation	1.3-dilinolenin
Peak:m/z	Relative Intensity
52.15403	0.7
52.75708	0.7
53.03947	1.6
54.51728	0.7
55.01877	1.3
55.05258	1.5
55.05509	14.8
57.03437	6.5
57.07084	3.9
65.03934	1.3
67.05504	57.7
69.07066	18.1
71.04985	3.2
71.08618	1.5
79.05489	27.5
79.42524	0.9
80.74893	0.8
81.07056	58.9
83.08626	8.0
85.06549	1.4
91.05479	23.3
93.07042	36.4
95.04976	3.0
95.08604	45.1
97.06533	3.2
97.10181	5.4
105.07031	24.8
106.02496	0.7
107.08593	24.1
109.06512	1.0
109.10151	23.7
111.08096	1.7
117.07021	8.8
119.08574	26.0
121.10140	19.4
123.11712	9.5
125.09676	0.8
129.06963	4.2
131.08571	19.1
133.10130	19.0
135.08041	0.8
135.11673	13.2
137.09590	1.1
137.13208	4.3
141.07013	1.7
143.08563	6.2
145.10112	18.4
147.11685	16.1
147.12788	1.2
149.12144	1.3
149.13251	9.4
151.14824	1.2
155.08568	2.9
157.10149	5.4
159.11694	16.3
161.13245	10.4
163.14859	5.4
169.10170	3.3
171.11674	6.4
173.13255	9.6
173.23637	0.7
175.14870	4.2
177.16432	2.2
179.14464	0.9
183.11752	2.9
185.13235	4.7
187.14853	7.0
189.16431	2.0
191.18018	1.8
195.11601	0.9
197.13350	2.2
199.14780	4.2
201.16383	3.4
203.18024	1.5
211.14871	1.6
213.16447	2.6
215.18050	1.1
217.19560	1.6
225.16507	1.3
227.18124	1.2
229.19527	1.0
231.21101	1.2
241.19682	1.6
243.21129	2.3
245.22731	1.1
257.19012	1.1
259.20581	7.9
261.22116	9.2
263.23901	0.8
272.61838	0.9
275.23648	1.0
279.23438	1.0
285.22339	1.0
287.23694	1.2
299.23672	2.1
301.25284	1.0
310.67480	0.9
313.25415	1.0
315.23132	1.5
315.26730	1.2
317.24918	1.9
323.25751	1.0
325.25137	1.0
333.24301	4.8
335.25809	14.6
337.27258	8.4
341.28326	1.5
387.29037	1.1
475.33817	0.9
489.36023	1.8
503.37051	1.8
521.43719	5.8
529.38678	1.2
531.40741	1.1
539.44666	2.5
543.40045	1.8
595.47229	10.5
613.48230	100.0
614.48700	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	613.2634
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04070	0.3
53.03944	0.6
55.05497	0.7
57.07068	1.0
65.03947	0.4
65.87598	0.3
67.05502	4.3
69.07070	1.0
71.08629	0.4
71.59105	0.5
77.03902	0.3
79.05491	4.6
81.03415	0.5
81.07053	100.0
82.07379	0.9
83.06720	0.3
83.08646	0.3
85.02882	1.6
91.05466	0.8
93.07033	1.1
95.04931	0.6
95.08603	11.9
97.02911	0.3
105.07017	0.6
107.04958	4.3
107.07213	0.3
107.08581	2.0
109.06528	0.3
109.10156	1.0
119.04938	1.3
121.02874	2.7
123.11721	0.5
133.10121	0.8
135.04370	1.5
135.11662	1.0
137.13249	47.8
138.13622	0.5
145.04984	0.4
147.03255	0.4
147.04414	5.5
151.11015	0.4
163.03891	1.7
167.08475	0.4
175.03894	3.2
177.06989	0.8
193.04967	10.7
195.08034	1.2
203.03421	4.6
205.06470	1.9
221.04294	0.9
223.07515	3.1
233.05954	1.2
251.07005	4.0
261.05487	0.7
269.08029	0.8
279.06512	16.5
280.06961	0.5
287.16833	0.3
297.07568	26.9
315.08609	24.1
371.12805	0.3
563.19501	0.4
613.32654	0.8
617.86719	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.316
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.9
55.05503	2.0
57.07070	3.3
65.03934	1.1
67.05506	6.0
67.51942	0.3
69.07048	1.5
69.25185	0.6
69.25586	3.0
75.81065	0.3
78.40128	0.3
79.05130	0.2
79.05489	10.5
81.07056	47.8
82.07388	0.4
85.02911	0.3
91.05035	0.3
91.05476	9.8
93.07043	21.2
95.04982	2.1
95.08601	7.6
105.04548	0.3
105.07035	5.8
107.04967	1.6
107.08593	59.7
108.08899	0.4
109.06518	2.0
109.10152	5.6
116.06197	0.4
119.04943	6.0
119.08568	0.8
121.10119	1.8
123.11706	100.0
124.12034	0.4
131.08559	2.5
133.10126	2.8
135.11691	71.8
137.13240	4.6
147.04405	11.8
147.89935	0.3
149.09616	8.0
151.11188	5.2
163.03947	0.6
169.12224	0.8
193.04889	0.4
195.08087	0.4
205.12239	2.5
213.09103	5.9
233.09528	0.5
233.11731	5.3
249.11221	0.5
260.07184	0.3
297.14935	0.4
299.16281	1.4
323.35562	0.3
401.23355	0.3
460.67288	0.4
607.63715	0.4
613.30829	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2638
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.5
53.32021	0.3
55.05511	0.4
57.07070	1.1
65.03923	0.4
67.05169	0.4
67.05504	5.6
69.03426	0.5
69.07066	1.4
71.08622	0.5
71.59739	0.5
79.05486	5.8
81.03422	0.5
81.07051	100.0
82.07383	0.7
85.02900	1.7
91.05444	1.7
93.07034	2.5
95.04960	0.5
95.08602	12.5
98.98457	0.4
105.07014	1.5
107.04944	4.7
107.08589	4.3
109.10155	1.5
119.04948	1.3
121.02874	2.6
123.11658	0.7
127.03934	0.6
133.10136	1.0
135.04402	1.1
135.11691	3.0
137.13248	45.8
137.75661	0.4
138.13602	0.8
147.04399	4.3
149.02345	0.5
151.11168	0.6
163.03915	0.7
167.08554	0.8
175.03906	3.6
177.06915	0.5
193.04939	10.7
195.08044	1.1
203.03378	3.8
205.06465	1.6
213.09106	0.6
221.04482	1.0
223.07518	3.3
233.05904	1.7
237.05244	0.4
251.07033	4.4
253.08673	0.5
261.05518	0.4
264.18854	0.4
269.07883	0.5
279.06506	17.1
297.07556	21.5
298.07703	0.7
309.07462	0.4
315.08600	22.4
316.09183	0.3
353.26797	0.7
559.01624	0.4
591.09943	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.0
55.01868	3.7
62.63720	0.8
65.03939	6.3
65.68416	0.9
67.05508	4.4
69.03439	1.8
69.60674	5.8
71.01354	1.7
71.04985	1.0
78.04685	2.1
79.05490	4.5
81.03411	3.3
81.07047	2.9
82.04185	1.1
83.04961	1.0
85.02452	1.1
85.02883	5.5
89.03923	0.8
91.05475	8.3
93.03389	2.2
93.07022	1.7
94.04167	2.1
95.04979	6.0
95.08604	1.1
96.67481	0.7
97.06506	1.4
103.05469	20.7
105.03384	2.7
105.07008	4.1
106.04172	1.7
107.04956	7.3
107.08598	1.1
108.02100	2.5
108.99847	0.8
109.02863	1.7
109.06503	3.3
110.03649	3.1
110.08118	0.8
111.04436	3.2
115.05434	7.9
117.03420	0.8
117.07011	9.1
118.04173	3.1
119.04955	6.1
119.08550	1.3
121.02871	0.9
121.06511	3.5
122.03634	5.1
123.04442	9.4
124.05241	3.5
125.05974	4.7
129.06990	2.0
130.04134	1.2
131.04922	34.5
132.05728	1.0
133.02829	4.8
133.06485	7.6
134.03662	1.2
135.04419	2.5
135.08080	2.9
135.30600	0.8
137.05969	76.7
138.03149	1.8
139.03842	1.2
139.07594	1.1
140.04700	1.9
141.05470	2.7
141.07014	1.1
142.02608	1.4
143.04907	2.5
144.05705	1.8
145.02771	1.2
145.06476	15.1
146.03603	2.2
147.04399	5.2
147.08017	1.8
148.05193	9.7
149.05995	4.6
151.03899	85.4
151.04971	5.5
151.07596	2.8
152.04640	3.1
153.05449	9.2
154.06331	0.9
155.05928	1.6
155.07030	2.7
157.06517	2.2
159.08032	1.4
160.05241	2.2
161.05948	7.0
162.06702	1.2
163.03928	4.2
163.07539	23.3
165.05495	11.7
165.06905	1.5
165.09091	0.8
166.06207	1.1
167.07037	88.6
169.06465	0.8
171.04405	1.6
171.06506	5.0
173.05975	20.2
174.06677	1.6
175.07542	8.7
176.04692	4.2
177.05455	5.0
177.09177	1.3
179.07042	4.4
179.08385	0.9
180.07803	2.6
181.04950	92.8
187.07564	3.2
189.05489	2.2
189.09100	3.5
191.07021	100.0
193.04973	5.0
193.08646	3.6
195.06508	2.7
197.08046	1.2
199.07529	1.2
201.05499	2.5
203.07021	5.7
204.07738	0.8
205.06691	1.3
205.08557	8.1
207.06456	4.1
207.10144	1.8
208.07310	6.3
209.08057	5.4
211.07513	1.3
217.08601	2.7
219.08224	1.3
219.10190	2.5
221.08026	1.7
223.09651	1.7
225.07515	15.0
225.09438	0.9
226.08322	3.7
231.06445	1.2
233.05922	0.8
233.08063	9.1
234.06808	1.5
234.08955	0.9
235.07605	1.6
235.09686	8.2
237.09160	2.0
242.32368	1.0
249.09111	1.6
250.06303	1.3
251.06999	1.1
262.06546	1.0
263.06570	1.4
263.09158	15.9
265.08606	2.8
267.10153	1.2
269.08234	1.0
277.08743	2.0
279.06842	1.3
279.10297	1.2
283.09634	1.4
293.08029	2.3
294.08905	1.5
295.09698	2.5
297.11172	1.4
299.09244	1.1
301.65240	0.9
303.05066	1.4
309.11270	1.8
314.11594	1.8
323.09213	0.9
325.10767	2.1
327.12341	3.6
329.13937	2.3
337.10803	2.4
339.12204	2.1
341.10263	1.3
341.14117	1.1
351.12177	1.3
355.11737	8.4
357.13315	5.1
359.14899	1.9
367.11914	1.0
369.13083	3.7
383.14752	1.1
385.12848	12.1
387.14365	30.8
417.15469	10.0
433.56927	1.1
583.22198	1.7
613.22760	40.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2277
Annotation	C11830
Peak:m/z	Relative Intensity
53.03926	0.9
55.01851	0.7
55.04918	0.4
55.05510	3.4
57.03415	0.4
57.07056	0.7
59.63552	0.3
65.03932	2.1
67.05504	4.9
69.03437	2.5
69.07063	5.5
70.76877	0.8
71.04990	1.7
78.04711	2.5
79.05488	2.9
81.03424	3.9
81.07058	6.4
82.04195	0.6
83.04956	0.7
83.08609	3.4
85.02908	5.3
85.06538	0.7
91.05478	6.9
93.03371	0.6
93.07037	2.9
94.04195	0.7
95.04951	2.0
95.08604	5.4
96.05776	0.4
97.02880	2.0
97.06510	1.5
97.10159	2.7
99.04439	1.2
99.08088	0.5
103.05458	2.8
105.03383	0.4
105.07028	2.5
106.04139	1.1
107.04955	2.7
107.08602	1.7
108.02090	0.8
109.02872	4.8
109.06505	0.6
109.10146	2.5
110.03643	1.5
111.04416	1.8
111.08050	0.8
111.11690	1.3
115.05450	5.2
117.06216	0.6
117.07014	9.9
119.04945	4.4
119.08577	2.2
119.39884	0.3
121.02885	0.4
121.06507	1.4
121.10153	2.5
122.03632	1.0
123.04429	8.2
123.08067	0.6
123.11682	1.2
124.05193	3.1
125.06001	1.1
127.03913	4.1
127.05429	0.9
129.06949	0.6
131.04909	1.0
131.08569	0.5
133.02846	0.5
133.06549	0.7
133.10124	1.8
134.03600	0.5
135.04408	0.7
135.11726	2.5
137.02274	0.5
137.05969	17.0
137.09554	0.6
137.13246	0.5
138.03140	0.4
139.04010	0.4
139.11186	0.5
142.02621	0.7
143.04904	1.3
145.02818	0.4
145.04823	0.6
145.06485	13.7
145.07639	0.7
147.04407	8.3
147.08034	1.0
147.11685	1.6
148.04808	1.3
149.05988	0.5
149.13263	0.7
151.03938	3.4
151.07533	0.6
151.11205	0.6
152.04700	2.5
153.05441	2.2
155.06021	3.4
160.05220	0.5
161.05974	2.1
161.09642	0.5
161.13261	1.2
163.03906	1.6
163.07539	0.6
165.05516	0.8
165.12735	0.6
167.07034	100.0
168.07330	0.6
171.06506	3.3
172.05132	0.6
173.05977	23.8
175.07561	1.2
175.14752	0.6
177.05434	0.8
179.07068	2.1
181.04950	34.9
189.05482	0.6
190.06340	0.5
191.07065	1.6
193.08632	0.6
195.06570	0.6
197.09848	0.4
198.07201	0.3
201.05458	0.6
203.07025	1.5
205.08592	5.8
207.06493	0.8
209.08000	0.5
215.18159	0.3
217.08649	0.4
217.19539	2.0
219.06458	0.4
231.06404	0.5
233.08075	5.6
235.09616	5.1
235.20631	2.1
253.21646	3.1
271.22699	1.1
281.08191	0.5
293.08112	0.5
295.09918	0.4
297.11246	0.9
303.05093	1.4
304.05261	0.4
305.05643	0.9
325.10626	1.7
329.14011	0.4
337.10583	0.6
339.12424	0.4
342.11188	0.6
343.22919	1.3
355.11746	0.8
357.13293	4.5
361.23654	3.0
379.24826	6.0
385.12833	16.0
386.13504	0.6
387.09399	0.7
387.14355	11.8
397.25790	7.7
415.27054	2.7
417.15424	14.8
583.21771	3.2
595.22327	0.5
613.22809	55.3
614.23260	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.1758
Annotation	Huangqioside E
Peak:m/z	Relative Intensity
53.45779	1.8
55.01875	4.2
55.34574	1.8
57.03418	7.3
65.03922	2.8
69.03422	5.7
69.96396	11.7
71.04986	5.0
72.08134	2.8
73.02901	6.8
74.09729	2.1
81.03410	7.7
85.02905	42.1
86.03210	3.1
91.05456	4.5
93.03412	10.1
95.04966	5.2
97.02881	16.6
98.20596	1.9
103.03946	3.7
103.05447	3.0
105.03349	3.0
105.07015	2.3
107.04946	20.4
109.02866	12.0
109.06528	2.7
111.00822	2.9
111.04443	5.6
115.03923	2.9
115.05450	2.6
117.04622	1.8
119.04922	6.4
121.02835	22.5
121.06474	8.2
123.04409	17.7
125.02329	2.2
127.03902	7.1
129.06970	2.2
131.04910	7.4
133.04910	3.2
133.06487	4.7
135.04398	21.1
137.02324	4.6
137.05975	8.3
139.03889	9.2
145.02859	3.9
145.04948	7.7
145.06421	6.4
147.04404	11.8
149.02327	6.5
149.05957	2.5
151.03879	7.7
153.01787	7.2
157.06473	2.5
159.04433	9.5
161.02292	4.8
161.05957	8.9
163.03903	29.4
163.06015	2.8
165.01840	8.1
167.03343	2.1
171.04384	5.0
173.02411	4.2
173.06007	11.0
175.00191	2.6
175.03922	5.2
175.07541	2.6
177.01860	11.1
177.05408	7.5
181.04874	2.4
183.02887	6.2
185.05981	3.2
187.03920	8.7
187.07483	2.8
189.01830	22.7
189.05450	7.1
191.03378	17.7
193.01350	2.4
193.04906	2.7
195.02875	38.7
199.03868	3.0
201.01892	4.3
201.05461	15.7
203.03410	14.8
203.07027	2.8
205.01315	4.3
205.04935	8.7
207.02861	37.7
209.04440	5.5
213.05452	3.5
215.03421	13.8
217.01375	2.9
217.04993	4.2
219.02876	81.0
221.04440	8.2
223.02371	12.3
225.03871	32.2
227.03412	3.4
229.04906	19.2
231.02882	33.1
231.06413	4.8
233.04445	19.4
235.02313	2.3
237.03990	26.9
239.03438	3.3
241.04889	4.0
243.02882	24.2
243.06578	7.0
243.14439	1.9
245.04445	6.5
247.06035	3.9
249.03926	29.7
251.05487	2.0
253.05045	4.7
255.02893	7.5
257.04333	15.2
259.02322	4.6
259.06012	2.3
261.03922	100.0
267.02805	2.9
269.04330	9.6
271.03131	2.3
271.06030	8.5
273.03940	34.6
275.05472	4.1
279.05176	2.4
281.04395	3.9
285.03885	42.8
287.05457	8.2
289.06119	2.2
291.04984	26.6
295.05923	4.8
297.03943	17.8
299.05475	7.0
301.03781	2.0
301.07025	3.4
303.04993	32.8
309.03833	5.3
311.05566	3.2
313.07034	16.5
315.04904	8.4
321.06192	20.0
325.07037	11.9
327.04926	36.8
331.07990	2.9
337.07007	3.6
339.07431	30.8
341.06631	3.5
343.08127	22.4
345.06067	9.5
351.04965	2.6
355.08102	33.4
357.05927	8.1
363.07104	26.6
367.08200	22.4
369.06030	5.5
373.08957	6.6
375.06934	5.8
379.08005	9.9
387.07144	4.4
391.08337	2.6
393.08023	10.4
397.09128	37.7
403.08264	2.5
405.08151	26.2
409.09131	26.6
421.09149	19.7
423.09158	12.3
425.08411	4.0
427.10330	12.4
433.09207	7.6
439.10263	22.5
439.15619	3.7
441.10291	20.9
445.11282	35.7
457.11234	26.7
463.10089	29.9
475.12292	38.0
481.11191	10.1
493.11389	6.2
499.12204	17.3
505.11008	5.7
511.12497	15.8
523.12384	9.3
541.13239	12.1
559.14270	14.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	9.8
57.03424	18.9
58.03771	3.3
61.02915	7.1
62.06698	3.2
63.28132	3.3
69.03441	28.4
70.07803	10.7
70.08198	8.0
71.04976	9.7
72.08176	5.9
73.02921	30.2
81.03416	12.3
85.02427	6.4
85.02908	99.1
86.03210	10.3
90.00707	4.0
91.03940	4.4
91.05503	7.7
93.03402	13.8
95.04973	5.0
97.02893	52.8
98.03217	7.5
98.21464	6.6
103.03923	5.3
107.04948	16.6
109.02865	19.1
111.04499	4.9
115.03916	20.3
115.05438	5.5
116.04218	5.6
119.04925	6.8
121.02877	26.7
121.06522	26.2
122.06831	6.2
123.04422	15.4
127.03909	13.9
131.04907	8.7
133.04945	9.5
133.06497	6.7
135.03529	3.6
135.04366	16.9
137.02261	4.2
137.05994	10.7
139.03870	9.9
145.04956	29.2
145.06447	5.5
146.05281	6.5
147.04382	8.7
149.02348	13.3
149.05991	6.6
151.03925	9.5
153.01828	8.5
159.04433	9.4
161.05962	11.4
163.03920	24.8
163.05952	17.2
173.05952	12.2
175.00262	3.4
175.03954	4.9
175.07571	4.3
177.01857	13.8
177.05476	10.7
180.72093	3.8
183.02892	6.1
185.05951	5.6
185.14462	4.0
186.59167	4.7
187.03963	11.8
187.07506	8.2
189.01825	19.7
189.05446	5.1
191.03380	17.6
195.02892	40.4
199.03978	4.3
201.01869	7.0
201.05534	13.6
203.03296	17.4
205.01355	8.1
205.05003	10.0
205.08572	4.9
207.02914	41.4
209.04492	4.8
213.05405	9.0
215.03452	15.1
217.04939	6.8
219.02902	70.9
221.04497	10.2
223.02435	12.4
225.03874	32.1
225.05663	3.7
229.05052	17.4
231.02866	33.1
231.06560	11.8
233.04372	23.5
235.02399	5.9
237.03992	23.5
241.05008	5.3
243.02835	27.1
243.06493	4.4
245.04517	11.1
249.03931	20.6
255.02901	6.3
257.04388	16.3
259.06046	12.6
261.03970	100.0
269.04413	7.7
271.06076	6.2
273.03891	33.8
275.05649	4.7
279.05228	3.9
281.04489	6.2
283.06076	4.0
285.03967	56.0
287.05530	14.5
289.02921	4.4
291.05084	28.9
295.06088	5.2
295.10205	9.9
296.10797	4.1
297.03891	14.0
299.05539	12.0
301.07028	4.5
301.77246	3.9
303.04984	37.7
309.03683	4.6
311.05478	3.8
313.07071	12.1
315.04880	6.7
321.06149	18.6
325.07089	8.4
325.11261	8.4
327.04916	48.2
339.07431	28.7
343.08142	20.8
345.06165	12.1
355.08002	27.6
357.06009	8.8
363.07224	28.2
367.07983	17.4
369.06146	5.7
373.09067	6.2
375.07138	6.8
379.08078	10.5
387.07077	6.4
393.08176	9.1
397.09201	40.7
405.08148	31.3
409.09106	24.6
421.09274	19.9
423.09213	15.2
427.10278	12.0
433.08908	8.2
439.10339	20.8
441.10144	20.7
445.11475	29.9
457.11285	26.2
463.09985	28.8
475.12045	27.6
481.11307	12.6
493.11798	9.6
499.12262	15.2
505.11209	7.0
511.12207	13.7
523.11932	9.1
541.13245	15.7
559.14154	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	612.4254
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98699	0.5
53.03935	0.8
55.05502	2.4
57.07077	1.4
67.05506	7.2
69.07063	5.0
71.60754	0.8
79.05489	5.3
81.07055	100.0
81.96809	0.5
82.07397	1.4
83.08614	1.3
89.15343	0.5
91.05466	1.3
91.75279	0.5
93.07053	2.4
95.08604	12.4
96.08982	0.7
96.56129	0.6
97.10201	1.4
105.07032	1.4
107.08617	1.3
109.10158	1.9
119.08619	0.7
121.10145	1.4
131.08537	0.5
135.11699	1.1
137.13251	43.4
138.13573	0.9
145.10071	0.6
147.04425	0.8
159.04445	1.8
159.11627	0.8
167.13185	0.5
169.06493	0.7
171.04399	1.2
171.08032	1.0
173.06065	0.8
177.05515	1.8
181.06575	0.9
183.04454	5.6
183.08072	0.8
185.06018	3.0
187.03891	3.8
195.08099	0.9
197.05981	15.6
199.03925	1.6
199.07672	0.9
201.05516	0.8
203.17973	0.7
207.08122	0.6
209.05934	1.0
211.07581	0.8
219.08211	0.7
223.07527	5.9
232.09171	0.5
237.09169	1.0
237.12830	1.2
239.10852	0.6
247.11191	1.5
259.11346	0.6
265.12338	1.5
267.13959	0.9
277.12286	1.5
279.14020	1.0
283.13364	2.0
293.15408	1.8
295.13312	3.4
307.13562	0.7
313.14447	0.7
321.14923	0.6
325.14279	1.0
329.13864	3.3
377.24811	0.7
387.23215	5.7
405.24231	59.0
406.24673	1.5
422.23541	0.6
423.25302	30.4
424.25635	1.3
441.26370	9.0
612.47272	6.1
612.58612	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.2501
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34666	0.3
53.03946	1.4
55.01873	1.8
57.03433	5.6
61.02636	0.7
61.02924	7.8
65.03925	0.8
69.03429	14.8
70.03760	0.4
70.06577	0.5
71.01356	0.5
71.04995	2.7
71.61517	0.5
73.02551	0.5
73.02918	5.0
81.03422	4.9
85.02904	100.0
86.03231	1.2
87.04475	2.7
91.03965	6.4
91.05478	52.2
92.05791	0.4
97.02889	32.1
98.03236	0.9
99.04453	4.2
101.02396	1.0
103.03933	1.1
105.41595	0.3
107.04955	1.1
109.02874	8.1
115.03928	4.9
116.04242	0.5
121.02870	1.1
121.06519	3.7
127.03915	27.2
133.04987	0.5
133.06474	0.4
137.05971	0.6
145.04953	60.7
147.04391	0.7
153.01892	0.5
157.06491	0.5
161.04471	2.5
163.04047	2.0
163.06015	30.7
165.05489	0.5
165.06723	0.6
173.06036	0.5
180.08669	0.4
181.07008	1.1
199.07576	0.4
204.08707	1.1
217.08636	3.2
235.09639	2.3
243.06435	0.7
244.06703	0.6
252.28531	0.4
253.10689	4.3
271.08084	1.0
271.11676	0.7
287.05502	9.1
287.08798	0.5
288.05872	10.0
288.09113	0.7
289.09198	2.4
296.10672	0.4
303.04987	0.8
304.05124	1.0
325.11264	14.1
339.68686	0.4
450.10791	1.1
480.18115	1.3
617.39020	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.4257
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	2.4
57.03436	1.2
60.39745	1.0
65.03929	1.4
67.05503	9.1
69.07055	1.6
71.61770	2.2
77.96516	1.0
79.05480	5.9
80.23878	0.9
81.07054	100.0
82.07396	2.1
91.05470	2.5
93.07035	4.8
95.08601	14.8
105.07046	3.4
105.82871	1.0
107.08588	2.1
109.10149	2.4
109.47031	1.3
117.06979	1.4
119.08553	1.9
121.10172	1.3
133.10141	2.4
135.11685	3.7
137.13246	69.3
145.10179	1.3
147.11671	1.2
157.06444	1.6
159.04398	1.9
171.04526	1.2
171.11676	1.1
173.11751	2.2
173.13197	1.3
177.05466	1.6
181.06442	1.9
185.05977	3.6
212.67712	1.0
222.09943	1.1
226.12045	1.5
259.20605	1.3
269.15292	7.6
287.16437	14.6
334.24445	1.3
336.25925	1.3
405.24506	1.8
423.25076	1.4
441.26413	1.2
520.42084	1.3
546.34161	1.2
612.46997	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	612.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.9
55.01654	0.4
55.01865	2.0
57.03434	20.9
59.05007	0.9
61.02922	12.4
61.94154	0.4
69.03428	32.7
69.63321	2.6
71.01355	3.2
71.04995	1.9
73.02914	45.9
74.00148	0.4
81.03417	6.7
83.01315	0.4
85.02901	100.0
87.04469	4.2
91.03953	5.8
91.05474	0.8
93.07043	1.5
95.04939	0.7
95.33633	0.4
97.02887	54.0
99.04447	4.3
101.02357	0.8
103.03906	2.3
103.05485	0.5
103.13416	0.4
107.04974	0.8
109.02875	7.4
110.51046	0.4
111.04424	0.5
115.03925	41.9
117.07043	1.1
119.99090	0.4
121.02911	0.5
121.06499	34.3
127.03913	31.4
127.04902	0.3
128.06218	0.5
129.05464	0.5
131.08571	1.5
133.04959	15.2
133.06551	0.9
135.08076	0.6
139.03909	0.7
141.06989	0.8
143.08612	0.6
144.05614	0.7
145.04953	57.0
145.06447	4.5
151.07582	1.3
155.08473	0.5
157.06395	0.7
159.08031	3.7
161.06006	1.1
163.06017	33.7
163.07466	2.0
169.06459	0.9
171.08040	1.6
172.17702	0.4
175.07530	5.1
177.08995	0.5
179.07019	2.4
181.06992	0.4
183.08130	0.7
185.06004	0.8
187.05872	0.8
187.07549	16.6
189.09111	0.4
193.04897	0.5
197.08081	0.4
199.05945	0.6
199.07544	1.4
201.09157	0.9
203.07082	0.5
204.08731	0.5
205.08600	16.1
217.08662	5.7
223.06012	5.0
229.08629	6.7
235.09659	6.2
241.04813	0.7
241.07069	7.2
247.09682	9.1
253.10699	3.9
259.08151	10.0
265.10730	11.7
271.08023	0.8
271.11618	0.5
277.08917	0.5
289.09079	1.9
295.10229	26.5
301.12784	4.3
325.07407	0.7
325.11292	13.9
369.88992	0.5
455.12509	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	3.4
61.02913	1.3
65.03933	1.2
69.03426	3.3
70.91266	0.3
71.01337	0.6
71.04983	0.3
71.60960	0.5
73.02917	7.8
81.03397	0.3
85.02428	0.5
85.02905	7.7
87.04448	0.4
91.05457	2.3
93.03391	0.7
93.07037	3.5
95.04942	0.7
97.02893	4.1
99.04449	0.3
103.05452	2.3
107.04939	1.1
109.02869	0.6
111.04432	8.1
115.03935	2.6
119.04958	0.4
119.37405	0.3
121.06496	100.0
122.06822	0.9
123.04462	0.4
127.03886	2.3
133.04968	0.8
137.05994	0.4
138.09132	14.4
139.03888	17.4
140.04213	0.3
145.04929	2.1
145.05933	0.3
145.06522	0.3
163.03896	0.4
163.06035	0.8
163.07388	0.4
180.10260	0.5
181.04947	4.1
187.07455	0.7
190.95129	0.3
205.08496	0.3
206.89485	0.3
234.11252	0.7
235.09601	0.4
237.02783	1.0
240.46881	0.3
241.53772	0.3
247.09390	0.4
252.12225	0.5
264.12308	0.4
265.10657	0.6
270.13412	0.6
282.13391	1.2
295.10312	0.8
300.14407	26.4
319.36307	0.3
414.17581	1.0
432.18637	43.1
433.19055	0.7
449.71106	0.3
450.13226	0.3
480.18198	0.4
497.60004	0.3
550.85266	0.4
553.74084	0.3
612.21674	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	611.4669
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74184	1.6
53.03936	1.8
55.01868	2.0
55.05516	7.5
57.03431	4.3
57.07069	5.3
57.57756	1.6
59.74047	1.5
67.05499	24.4
69.07060	10.4
69.50701	13.2
73.90687	2.0
78.47516	1.4
79.05488	19.7
81.07054	41.4
83.04963	1.6
83.08608	6.3
85.02917	1.6
89.06031	4.7
91.05480	20.0
93.07047	23.7
95.04980	2.5
95.08598	25.3
95.90710	1.6
97.06515	2.2
97.10194	3.7
105.07028	20.6
107.08587	14.2
109.10161	12.5
117.07001	9.6
119.08575	16.5
121.10148	14.1
123.11714	3.3
129.07014	3.2
129.90103	1.6
131.08554	12.0
133.08629	2.5
133.10124	16.0
135.11682	8.9
137.13261	5.7
141.06964	2.5
143.08563	7.2
145.10114	15.8
147.04459	1.7
147.11687	13.3
149.13278	4.3
154.74458	1.6
155.08553	3.9
157.10133	7.3
159.11696	13.4
161.13290	7.4
169.10120	5.4
171.11688	7.7
173.13239	8.6
175.14835	4.0
183.11726	3.7
185.13284	7.2
187.14812	4.8
197.13332	4.9
199.14894	3.4
201.16348	3.5
208.03381	2.0
209.13298	2.4
211.14885	3.4
215.17976	3.0
225.16484	3.2
227.17957	2.1
237.16440	2.1
241.19580	6.9
247.34575	1.7
257.19086	2.0
259.20584	14.8
259.46008	1.6
261.21979	2.5
277.21753	1.5
303.05148	3.2
333.24298	7.5
335.25626	12.4
337.27322	1.9
519.41931	6.1
529.38867	2.2
537.43048	2.1
541.38623	2.0
593.45697	10.4
611.46661	100.0
634.16742	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.4668
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37586	2.1
53.03935	7.6
55.01867	4.3
55.05509	41.4
57.03440	13.3
57.07065	7.7
63.58065	2.3
65.03925	6.1
67.05505	97.0
69.03384	2.2
69.07067	36.3
71.04991	4.7
71.08591	2.4
71.54521	4.8
77.03931	2.5
79.05491	77.8
81.07053	100.0
83.04970	4.7
83.08623	20.7
85.06531	4.0
85.39394	2.3
90.86702	2.1
91.05476	65.9
93.07043	76.4
95.04960	8.0
95.08600	70.2
97.06525	2.7
97.10150	6.8
100.25204	2.5
103.05503	2.7
105.07030	74.6
107.08595	45.8
109.06512	4.4
109.10145	23.5
111.08101	2.3
115.05456	2.9
117.07017	30.9
119.08575	56.0
121.10154	29.9
123.11700	9.5
126.66088	2.2
128.06261	3.1
129.06992	26.0
131.08556	47.0
133.10132	36.9
135.11687	20.8
137.13200	3.9
141.07004	4.9
142.07787	2.8
143.08572	28.2
144.09250	4.9
145.10115	39.5
147.11699	32.7
149.13254	8.7
155.08534	13.2
157.10141	28.2
159.11684	35.3
161.13284	18.0
163.11246	4.1
163.14854	5.8
169.10107	16.2
170.10915	2.9
170.25003	2.2
171.11690	28.3
173.13248	20.8
175.14796	11.2
181.10071	7.4
183.10219	2.8
183.11685	14.8
185.13264	19.4
187.14822	10.4
193.10124	2.7
195.11703	7.3
197.13234	9.9
199.14780	14.2
201.16365	9.3
207.11586	2.4
209.13361	5.3
211.14806	10.4
213.16426	9.1
217.19386	2.9
225.16385	3.7
227.17975	6.2
237.16374	3.4
239.06851	2.1
239.17984	3.8
241.19525	7.3
243.21135	4.0
257.19049	3.2
259.20526	16.6
293.21835	2.6
333.24188	4.7
335.25735	8.5
339.86224	3.1
519.41211	3.0
537.43103	3.8
593.45563	4.8
611.46631	58.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2826
Annotation	Scortechinone P
Peak:m/z	Relative Intensity
53.03939	2.6
55.05506	10.0
57.03441	19.7
67.05505	22.6
69.03426	3.8
69.07056	6.9
69.29002	20.7
71.04983	9.2
78.60444	1.6
79.05490	24.2
81.03426	14.3
81.07052	28.7
83.04977	3.7
83.08618	5.6
85.02906	9.5
85.06542	2.3
91.05453	19.3
93.07051	33.4
95.04974	3.4
95.08610	23.9
97.06533	3.2
98.98470	28.6
105.07034	18.4
107.04932	3.3
107.08594	22.5
109.02877	12.6
109.06518	2.4
109.10159	6.4
117.07007	4.8
119.08599	11.8
121.10146	12.4
123.11710	3.1
127.03944	2.4
129.07018	2.5
131.08582	11.3
133.10144	11.4
135.11702	18.1
137.13190	2.2
138.41858	1.7
143.08528	2.7
145.10153	7.9
147.04407	7.3
147.11656	5.5
149.13304	4.2
150.68178	2.2
151.11194	2.1
159.11684	4.0
161.13234	5.0
163.03943	5.3
163.06010	3.7
173.13258	5.4
185.13271	2.0
187.14824	4.4
205.15889	2.2
221.18980	2.0
241.19481	3.1
251.28546	1.7
253.02655	2.1
259.20621	6.3
261.03677	8.0
277.21637	10.5
293.21216	2.5
295.22540	1.9
303.04984	47.4
304.05383	3.8
333.24249	30.8
335.07309	2.7
351.25305	100.0
352.25720	3.4
357.17838	1.9
437.23422	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.467
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.6
55.05294	1.2
55.05517	12.6
57.03434	3.9
57.07073	3.4
67.05505	34.3
69.07068	11.0
69.56557	4.7
69.56992	5.0
71.04995	1.6
71.08624	1.3
77.76223	1.1
79.05492	23.5
79.88134	1.2
81.07059	46.5
82.07400	1.4
83.04972	1.8
83.08621	5.0
91.05477	22.2
93.07043	29.7
95.04974	3.9
95.08605	32.5
97.06544	1.7
97.10159	3.2
105.07036	19.6
107.08596	13.8
109.06552	1.6
109.10150	11.9
110.79297	1.3
113.09621	1.4
117.00938	1.2
117.07035	10.2
119.08584	19.4
121.10143	14.2
123.11714	4.4
129.06985	7.4
131.08572	19.7
133.10133	16.7
135.11685	12.5
137.13300	5.8
139.11156	1.2
141.06946	1.7
143.08582	8.2
145.10129	11.3
147.04483	2.1
147.11691	12.6
149.13243	4.2
155.08597	4.0
157.10152	7.4
159.11694	11.2
161.13304	9.1
163.11113	1.3
163.14851	2.4
169.10114	5.8
171.11729	8.0
173.13281	9.0
175.14827	5.4
177.16455	1.3
181.10167	2.3
183.11690	5.8
185.13243	5.7
187.14847	5.7
195.11520	1.5
197.13274	4.4
199.14871	5.2
201.16428	3.2
209.13359	2.1
211.14841	2.1
213.16429	3.9
215.17992	2.3
225.16420	2.6
227.18022	1.5
229.19553	2.0
231.21083	2.0
232.57143	1.3
241.19647	7.8
243.21056	2.2
257.19000	2.8
259.20609	15.4
261.22202	3.7
275.20221	1.5
302.62411	1.1
313.25613	1.3
315.23282	1.9
333.24197	9.1
335.25864	18.1
337.27185	1.2
353.24683	1.3
353.28503	1.5
429.01038	1.3
519.42059	4.0
525.23480	1.3
537.42889	2.3
541.39093	1.7
593.45447	8.9
611.46716	100.0
612.47223	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	611.2826
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.3
55.01862	2.5
55.05514	12.4
57.03428	5.2
65.03912	1.6
67.05505	32.3
69.03400	3.2
69.07070	8.7
71.05012	6.0
71.08607	4.6
71.59573	1.7
79.05492	20.8
81.03411	9.2
81.07055	28.1
82.69258	1.2
83.04971	3.2
83.08598	4.7
85.02910	7.1
85.06544	2.1
89.71882	1.2
91.05468	12.5
93.07043	25.4
95.04952	2.0
95.08604	17.7
97.06520	3.9
97.10165	7.4
98.98467	17.2
99.04445	1.6
99.08073	2.7
105.07042	12.7
107.04949	1.5
107.08604	16.3
109.02866	6.9
109.06507	1.6
109.10148	14.1
111.08087	1.7
115.01508	1.1
117.07010	2.8
119.04915	1.6
119.08569	7.2
121.10184	8.0
123.07999	2.3
123.11685	5.8
124.61372	1.1
125.09602	5.4
129.05437	1.7
129.06990	1.3
131.08580	3.5
133.10135	10.4
135.11682	10.8
137.13239	1.9
139.11163	1.5
145.04970	1.5
145.10083	3.2
146.15631	1.3
147.04387	5.3
147.11668	5.3
148.94044	1.2
149.09575	1.7
149.13255	3.6
151.11157	3.0
159.11696	2.3
161.13261	2.6
163.03905	3.7
171.11560	1.4
173.02057	2.0
173.11743	1.4
175.14702	1.5
179.14342	7.0
181.12279	1.3
189.11166	2.6
229.14336	2.3
231.48433	1.6
241.19470	2.3
256.37372	1.1
259.20520	3.5
261.03662	5.8
277.21664	14.1
303.01599	1.6
303.04993	31.3
304.05234	1.5
324.92215	1.3
333.24261	15.9
335.07224	3.4
351.25275	100.0
355.07138	1.5
356.07111	1.3
448.81711	1.3
577.21460	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.4
55.01868	0.3
55.05506	0.3
57.03437	1.6
61.02926	0.5
68.99792	0.4
69.03411	1.0
69.93607	1.4
69.94008	0.5
71.04993	10.4
72.57007	0.3
73.02882	0.5
75.04479	0.7
81.03399	0.5
83.04984	0.7
85.02901	15.9
88.67084	0.3
97.02909	1.3
99.04457	0.5
102.01698	0.2
109.02872	0.4
111.00787	0.6
111.04411	0.6
114.80596	0.2
121.02830	0.7
123.04405	0.3
127.03915	0.9
129.05472	4.4
137.02345	2.0
145.04933	0.8
147.06508	1.1
149.02348	0.4
153.01825	3.2
163.03876	0.4
165.01868	1.8
183.02872	0.4
192.46519	0.3
201.05458	1.0
229.04961	2.7
247.06102	0.5
257.04477	2.3
270.79245	0.3
274.05084	0.3
285.03909	1.0
287.05496	0.9
303.04990	100.0
304.05249	1.7
465.10187	1.0
474.41333	0.3
575.56976	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.0
55.01868	0.6
55.82288	0.3
56.28077	0.3
57.03435	4.8
61.02921	1.9
65.03931	0.6
65.11703	0.3
67.05508	0.9
68.05038	0.5
69.03426	4.3
69.64771	1.9
69.65196	0.7
70.06606	0.5
71.01353	0.6
71.04988	0.8
73.02918	10.6
76.24931	0.3
77.03915	0.5
79.05499	1.6
80.05012	0.4
81.03400	0.8
85.02908	8.0
87.04469	0.7
91.05498	0.5
92.05022	0.6
94.02927	0.7
94.06567	2.1
95.04959	1.5
96.04493	0.6
97.02892	7.1
98.97591	0.5
105.04488	0.5
107.04953	100.0
108.05276	1.6
109.02869	0.5
110.06049	0.8
111.04479	0.4
115.03938	5.2
119.06063	12.8
120.04442	0.7
121.02858	1.1
122.06047	2.5
123.04416	0.5
124.03934	1.2
127.03925	2.0
135.04402	0.3
135.05505	0.5
137.06116	0.5
137.07057	2.4
138.05495	6.5
138.67973	0.3
139.06299	0.5
145.04948	1.6
147.05533	3.3
148.03922	3.3
150.05507	10.6
153.05496	1.2
154.05197	0.4
155.08205	1.9
156.53748	0.3
163.03891	1.0
165.06599	90.6
166.04991	1.4
166.06862	0.8
168.06563	19.0
177.00674	0.4
183.07668	0.6
193.06139	0.6
223.05888	0.5
229.08664	1.7
243.06541	0.8
249.07544	1.8
267.08643	3.3
287.05441	1.3
287.08923	0.6
297.10464	0.6
299.10260	3.5
303.05148	0.7
317.11304	3.0
327.11795	0.5
391.14011	0.5
431.15857	0.4
436.19333	0.4
437.23389	0.4
449.14420	0.8
461.15622	2.5
473.10406	0.5
479.16629	21.2
480.17221	0.4
520.20544	0.3
555.54071	0.4
611.20764	5.0
612.20142	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.16
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.3
55.01854	0.3
55.05488	0.3
57.03433	1.8
59.04986	0.2
60.76487	0.1
61.02905	0.6
62.39803	0.1
62.50468	0.1
65.03921	0.2
68.99804	0.3
69.03420	1.3
70.75534	0.5
71.04990	10.7
73.02916	0.7
75.04475	0.5
76.85161	0.2
81.03397	0.6
83.04957	0.7
85.02901	15.2
87.04444	0.4
91.03932	0.4
97.02874	1.3
97.86810	0.1
99.04427	0.3
102.95776	0.1
109.02868	0.7
111.00787	0.6
111.04436	0.4
115.03902	0.3
119.25391	0.1
121.02869	0.7
123.04453	0.4
127.03938	0.8
129.05476	3.5
137.02330	2.2
145.05017	0.8
147.05531	0.2
147.06505	1.0
149.02347	0.3
153.01810	2.2
161.05933	0.2
163.03926	1.1
165.01807	1.4
183.02890	0.6
183.04370	0.2
188.33762	0.2
195.02841	0.3
201.05461	1.3
207.02896	0.2
229.04961	3.3
238.15405	0.2
240.34999	0.1
246.69017	0.2
247.05994	0.6
257.04407	1.9
274.04739	0.7
285.03934	1.0
299.06259	0.2
303.04971	100.0
304.05246	1.3
315.04877	0.4
345.06146	0.4
369.05518	0.2
412.27554	0.2
449.10809	0.3
461.83133	0.2
465.10281	0.7
468.39902	0.2
582.92358	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1603
Annotation	Quercetin 3-neohesperidoside
Peak:m/z	Relative Intensity
52.65944	0.2
53.03944	0.5
55.01867	0.4
55.05502	0.5
57.03434	4.3
58.23361	0.2
59.04999	0.3
60.12731	0.2
61.02923	1.5
68.99813	0.3
69.03426	4.1
70.86961	0.4
71.01345	0.4
71.04988	19.5
73.02911	1.3
75.04480	0.9
77.36059	0.2
81.03416	1.4
83.04978	0.8
85.02900	31.2
87.04456	1.3
89.07145	0.3
91.03947	0.4
91.05450	0.2
97.02877	2.6
99.04446	0.9
101.02364	0.3
103.03938	0.5
107.04907	0.2
109.02872	1.4
111.00816	0.5
111.04449	0.6
115.03918	0.3
119.04971	0.3
121.02859	0.6
123.04401	0.2
127.03921	2.1
129.05472	5.9
131.04941	0.2
135.04414	0.2
137.02324	2.0
137.05951	0.3
142.04797	0.2
145.04955	1.7
147.04395	1.0
147.06509	1.3
149.02333	0.4
153.01825	2.1
161.05913	0.2
163.03926	0.8
165.01865	1.3
167.07036	0.5
177.05510	0.2
181.04938	0.4
183.02917	0.5
187.03909	0.2
195.02884	0.2
201.05496	0.8
214.02214	0.2
219.06511	0.2
229.04941	3.1
229.06998	0.3
245.01790	0.2
245.04256	0.3
247.06036	0.6
247.29465	0.2
257.04416	2.0
274.04706	0.8
275.05511	0.3
285.03967	1.1
287.05496	0.3
290.19635	0.2
302.04190	0.7
303.04971	100.0
304.05292	2.8
327.05005	0.5
345.06058	1.7
357.06006	0.3
369.06525	0.2
447.09369	0.2
449.10684	0.2
465.10275	25.0
466.10599	0.9
531.23529	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1601
Annotation	Rutine
Peak:m/z	Relative Intensity
50.21780	0.2
53.03940	0.3
53.56915	0.3
55.05495	0.3
57.03440	2.1
58.03011	0.3
61.02923	0.4
61.18391	0.3
68.99795	0.3
69.03418	1.3
70.06737	1.1
71.04994	10.1
73.02898	0.5
75.04475	0.6
81.03394	0.4
83.04962	0.7
85.02908	14.5
87.04465	0.4
97.02900	1.4
98.21392	0.4
109.02889	0.5
111.00809	0.6
111.04450	0.4
121.02886	0.8
127.03922	1.2
129.05481	3.3
137.02353	2.2
145.04953	0.9
147.06493	1.3
153.01833	2.9
165.01816	1.6
183.02795	0.8
201.05518	1.3
205.05043	0.4
219.06532	0.4
224.60802	0.3
229.05000	3.4
257.04419	2.6
274.04843	0.4
285.03973	1.4
303.05002	100.0
304.05371	1.3
305.01315	0.4
465.10422	0.9
491.28226	0.3
531.09698	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01586	0.1
51.02379	0.1
53.00298	0.1
53.03944	0.2
55.01861	0.1
55.05516	0.0
57.03424	0.2
57.81729	0.0
60.90636	0.0
61.02921	0.1
63.02386	0.1
65.03930	0.9
67.05504	0.1
68.99790	0.1
69.02661	0.0
69.03067	0.1
69.03424	1.1
69.05887	0.0
71.04991	0.6
72.05320	0.1
73.02912	0.1
74.11765	0.0
81.03413	3.2
81.07100	0.1
85.02901	1.4
85.03426	0.1
85.06541	0.1
89.03889	0.1
91.05476	8.2
92.05802	0.1
93.03412	0.1
93.07071	0.1
95.04972	0.1
97.02885	0.5
98.21501	0.1
99.04435	0.3
107.04965	0.1
109.02864	1.2
109.03582	0.1
111.00813	0.2
119.04937	21.6
120.05230	0.4
121.02857	0.2
121.06543	0.1
123.04456	0.1
127.03909	0.6
129.05498	0.1
131.04907	0.1
135.04367	0.1
135.11505	0.0
137.02341	0.6
137.05919	0.1
145.05006	0.1
147.04399	100.0
148.04736	1.8
149.02362	0.1
153.01807	0.8
155.04982	0.0
159.04332	0.1
161.06018	0.1
163.03923	0.5
165.01859	0.5
165.05466	3.3
167.07059	0.3
173.06015	0.1
181.04933	0.1
183.02934	0.2
183.04309	0.1
187.03896	0.0
195.02954	0.1
201.05421	0.3
219.06544	0.1
229.04942	1.0
247.06024	0.2
249.07687	0.1
257.04428	0.7
274.04715	0.2
275.05359	0.1
285.03946	0.3
287.05548	0.7
291.08612	4.6
292.08997	0.1
303.04974	18.2
304.05310	0.4
309.09671	2.5
310.09940	0.2
345.05786	0.2
421.71497	0.1
517.10736	0.1
611.24225	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1389
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21046	0.1
52.92817	0.2
53.03934	0.3
55.01849	0.2
57.02637	0.1
57.03435	0.2
58.45687	0.2
65.03932	1.2
69.03426	1.2
70.87906	0.2
70.88245	0.4
71.05001	0.9
81.03410	1.4
81.07054	0.3
83.04935	0.2
85.02902	1.4
85.06518	0.2
91.05473	11.0
92.05786	0.2
93.06998	0.2
95.04971	0.3
95.08608	0.2
97.02884	0.6
98.97540	0.2
103.05438	0.2
107.04939	0.2
109.02868	0.6
111.00807	0.5
111.04443	0.1
119.04932	24.8
120.05269	0.4
121.02881	0.4
123.04449	0.1
127.03917	0.7
129.05418	0.2
131.08540	0.2
133.10085	0.2
135.04361	0.3
137.02348	1.1
137.05930	0.2
145.06503	0.2
147.04396	100.0
148.04727	1.7
149.02365	0.2
153.01801	1.8
159.04204	0.3
161.05991	0.2
163.03862	1.7
164.04158	0.3
165.01831	0.7
165.05441	0.6
167.07065	0.7
173.05963	0.3
177.05595	0.2
181.04912	0.2
183.02927	0.2
187.03865	0.1
189.05258	0.2
191.06943	0.2
193.08533	0.3
201.05438	0.7
209.07903	0.2
229.04932	1.7
247.06007	0.2
251.20070	0.2
257.04382	1.2
274.04684	0.3
275.05542	0.2
285.03937	0.5
291.08624	1.7
293.10098	0.2
303.04968	46.1
304.05334	0.8
309.09671	0.9
345.06033	0.5
611.24164	0.8
623.43903	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	0.1
53.03937	0.2
55.01875	0.1
57.03435	0.2
59.81894	0.1
63.02386	0.1
65.03925	0.9
68.99796	0.1
69.03425	1.0
71.04984	0.2
73.02908	0.1
74.51952	0.1
81.03412	3.0
85.02890	1.1
91.05473	8.4
92.05811	0.2
95.04973	0.1
97.02889	0.4
99.04439	0.4
109.02873	1.0
111.00778	0.2
119.04933	22.5
120.05269	0.3
121.02875	0.2
123.04458	0.1
124.77718	0.1
127.03901	0.5
137.02335	0.7
147.04396	100.0
148.04729	1.5
149.02405	0.1
153.01805	0.9
163.03911	0.2
165.01782	0.4
165.05464	3.4
166.02719	0.1
170.58925	0.1
183.02867	0.2
183.04364	0.1
187.04057	0.1
201.05505	0.4
206.26416	0.1
229.04944	0.9
247.06012	0.2
257.04398	0.6
274.04794	0.1
285.03891	0.3
287.05511	0.1
291.08609	5.0
303.04962	18.0
304.05386	0.4
309.09668	2.6
345.06094	0.3
404.70627	0.1
428.19589	0.1
441.14618	0.1
611.24652	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1393
Annotation	56343-26-1
Peak:m/z	Relative Intensity
50.01598	0.2
51.02146	0.1
51.02376	0.1
53.03942	0.2
57.03432	0.1
60.58385	0.1
65.03928	1.2
68.99794	0.1
69.03426	1.1
70.81004	0.1
70.96857	0.1
70.97179	0.2
71.04978	0.3
73.02906	0.1
73.27928	0.1
79.05470	0.2
81.03417	2.5
81.07043	0.2
85.02902	1.0
89.03871	0.2
91.05478	9.6
92.05810	0.1
92.96745	0.1
93.03403	0.1
95.04964	0.2
97.02874	0.3
99.04418	0.2
103.79487	0.1
105.06989	0.2
107.04957	0.3
109.02853	1.0
111.00810	0.3
117.03398	0.3
119.04937	24.6
120.05249	0.3
120.06090	0.1
121.02872	0.4
121.24064	0.1
123.04433	0.2
127.03894	0.8
129.05476	0.1
133.06435	0.1
135.04402	0.8
137.02336	0.8
145.02873	0.6
145.06422	0.1
147.04404	100.0
148.04738	1.1
153.01813	1.3
155.74783	0.1
163.02525	0.2
163.03903	4.2
165.01784	0.7
165.05470	2.3
167.07051	1.4
173.06001	0.2
177.05426	0.1
181.04919	0.2
183.02893	0.3
191.06981	0.1
193.08595	0.3
195.02850	0.1
201.05498	0.5
219.06590	0.2
229.04964	1.5
247.05870	0.2
257.04456	1.2
274.04718	0.3
285.03906	0.4
287.05524	1.3
291.08618	3.3
297.94742	0.1
303.04980	30.2
304.05292	0.3
307.07916	0.2
309.09714	1.7
325.09018	0.1
345.05917	0.3
611.22760	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	610.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14247	0.2
53.03951	0.5
54.95931	0.2
55.01857	0.2
55.05500	0.4
57.03432	2.1
59.04997	0.2
60.06151	0.2
63.02369	0.3
68.05772	0.2
69.03435	1.0
71.04990	13.1
71.46115	0.3
73.02911	0.5
73.34296	0.2
74.42768	0.2
75.04482	0.6
79.05482	0.6
81.03397	0.8
81.07044	0.4
83.04967	1.6
85.02901	14.6
87.04465	0.4
89.03908	2.4
91.05434	0.4
93.07013	0.3
95.04942	0.4
95.08613	0.3
95.86521	0.2
97.02882	0.9
99.04447	0.4
103.05443	0.3
105.07029	0.7
107.04965	1.6
107.08604	0.2
109.02871	0.4
111.04417	1.0
113.74467	0.2
117.03374	3.4
117.07030	0.2
119.04937	1.0
119.08530	0.4
121.06484	0.4
123.04414	0.4
127.03922	0.8
129.05472	4.1
135.04417	9.5
136.04782	0.3
137.05951	0.3
145.02834	7.9
145.03978	0.5
145.06543	0.2
147.04405	3.8
147.06453	1.2
147.11687	0.3
148.04758	0.3
149.05986	0.3
151.03865	0.3
153.05476	0.3
163.03896	100.0
164.04227	1.1
165.05557	0.3
167.07031	0.5
169.05014	0.5
175.03905	0.6
176.39246	0.2
181.04926	1.1
183.09584	0.2
186.05400	0.3
191.06796	0.3
207.06522	1.3
209.08037	0.3
223.06006	0.2
237.07620	0.2
255.08714	0.5
287.05579	0.4
291.08548	1.7
303.04910	2.7
307.08609	0.3
309.09619	4.7
320.24255	0.2
325.09161	6.5
326.09790	0.2
333.64725	0.2
355.07150	0.3
453.13882	0.7
471.15018	4.3
547.43451	0.2
610.23401	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	610.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03421	1.7
67.50583	0.4
67.72822	0.4
69.03414	1.2
70.74315	1.5
71.04991	14.6
73.02913	0.6
75.45873	0.4
76.04958	0.4
81.03426	0.9
81.07038	0.6
83.04959	1.9
85.02906	17.2
87.04443	0.5
89.03905	2.2
91.05457	1.0
95.04963	0.5
97.02891	1.6
99.04443	0.5
105.07013	0.8
107.04938	1.9
107.08578	0.5
109.02856	0.4
111.04411	1.2
117.03370	3.7
119.04932	1.8
121.02868	0.6
127.03895	1.1
128.31537	0.4
129.05450	4.4
135.04408	8.6
137.05981	0.7
145.02850	7.4
147.04428	5.9
147.06522	1.5
148.04781	0.7
163.03903	100.0
164.04242	1.4
181.04921	1.0
207.06494	1.3
225.84364	0.4
244.97011	0.5
291.08649	2.0
300.47559	0.5
301.07312	0.8
302.07373	1.2
303.04865	2.2
309.09656	3.8
325.09195	6.9
361.02216	0.9
383.14240	0.5
413.15335	1.3
471.14987	5.0
610.23303	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	609.4513
Annotation	Batzelladine I
Peak:m/z	Relative Intensity
53.03952	1.5
55.01850	2.1
55.05510	11.8
57.03423	3.8
57.07062	2.1
59.04985	1.2
67.05502	22.1
68.74660	0.9
69.07063	9.8
71.73608	0.9
78.06859	1.0
78.68043	1.1
79.05495	14.8
81.07056	25.5
83.05007	1.2
83.08591	5.3
91.05466	12.7
93.07039	18.0
95.04967	2.9
95.08598	16.6
97.06532	2.4
97.10176	3.3
98.21501	2.3
100.06604	1.2
105.07032	13.4
107.08600	9.9
109.10159	7.2
111.08105	1.3
115.05433	1.3
117.07024	7.9
119.08578	11.8
121.10162	4.8
123.11704	1.6
128.06227	2.6
129.07010	9.4
131.08568	13.7
133.10136	8.6
135.11707	6.3
137.13261	1.6
141.06985	4.8
142.07799	2.6
143.08556	9.5
145.10112	14.5
147.11705	5.3
149.09737	1.5
149.13263	1.2
153.06934	1.1
155.08508	8.5
156.09328	1.7
157.10117	13.4
159.11688	7.7
161.13257	2.7
162.21655	1.0
165.07045	1.4
167.08525	5.3
168.09384	1.2
169.10117	12.4
170.10880	1.6
171.11684	10.2
173.13255	4.8
175.14745	1.1
179.08580	2.6
180.09282	1.3
181.10143	6.2
182.10771	1.7
183.11710	9.7
185.13260	6.1
187.14902	2.9
193.10208	3.0
194.50717	1.0
195.11684	7.3
196.12460	1.3
197.13245	10.6
199.14861	5.3
207.11708	2.7
209.13287	6.6
211.14792	8.1
213.16452	3.6
219.11630	1.3
221.13257	2.7
223.14824	3.6
225.16444	3.7
227.17990	2.8
235.14919	1.6
237.16438	4.3
239.18076	2.5
241.19699	1.1
251.17993	3.4
257.19064	2.3
275.20236	1.8
279.21033	1.2
283.17163	1.1
283.20688	1.5
309.22058	1.4
321.22305	1.4
323.23825	1.7
337.25339	1.8
349.25250	1.5
351.26901	1.4
363.27005	1.6
365.28549	1.5
447.32700	1.4
469.78586	1.2
499.39886	2.4
517.40265	9.3
535.41675	5.5
573.43555	1.5
590.60388	1.0
591.44110	13.0
609.45123	100.0
610.45526	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.4511
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.3
55.01867	2.0
55.05512	17.5
57.03431	8.7
57.07071	1.4
62.47456	1.4
65.03938	1.7
67.05502	47.9
69.07062	16.8
71.04993	1.6
71.60943	2.0
75.63934	1.4
79.05491	38.0
81.03394	1.5
81.07052	48.1
82.50435	1.5
83.04955	1.5
83.08619	8.5
85.06515	2.1
88.47244	1.1
91.05476	39.5
92.91138	1.1
93.07042	41.9
95.04966	8.1
95.08604	34.2
97.06518	4.4
97.10159	3.0
98.64925	1.5
99.08081	2.3
105.07033	31.5
105.34577	1.3
107.04955	2.2
107.08585	24.0
109.06538	2.4
109.10155	13.4
111.08074	2.2
115.05438	3.2
116.06203	1.6
117.07014	24.4
119.08576	30.2
121.06525	1.2
121.10152	14.2
123.11724	3.0
125.09610	1.6
128.06247	3.3
129.07014	9.1
130.07742	3.0
131.08563	29.1
133.06563	1.5
133.10126	19.3
135.11693	7.7
141.06984	3.4
142.07764	3.1
143.08556	9.8
145.10120	42.3
147.10602	1.7
147.11667	11.3
149.09659	3.0
149.13272	5.9
153.06999	1.2
155.08562	5.1
155.65767	1.4
157.10112	15.9
159.11700	29.9
161.09653	3.3
161.13226	6.5
163.11189	3.6
163.14816	1.7
169.10123	10.3
171.11661	10.1
173.13243	12.5
175.14798	2.6
177.12733	1.2
179.14337	2.2
181.10063	2.1
183.11667	8.2
185.13286	8.3
187.14851	4.3
195.11703	2.8
197.13271	5.2
199.14786	3.0
201.16353	1.9
203.14305	2.2
207.11787	1.4
207.13480	1.4
209.13300	1.8
211.14838	4.0
213.16409	3.0
215.17955	1.4
219.17461	3.4
223.14815	1.3
225.16423	1.5
227.17976	1.5
229.19547	4.7
239.17926	10.6
255.17546	1.6
257.18994	29.6
261.22125	5.4
267.72586	1.2
275.20071	19.4
313.21796	1.2
331.22726	13.3
333.24454	1.5
335.25806	20.5
349.23477	1.5
392.20135	2.0
405.20804	2.7
407.22302	2.6
421.23956	2.1
433.20355	1.5
435.21704	2.6
447.18207	2.3
459.07983	1.5
459.22186	1.9
461.19876	4.0
462.20407	2.9
463.21335	3.6
475.21890	6.5
476.22195	3.1
477.22797	1.4
485.23135	3.4
491.09598	1.3
503.24182	4.0
515.24640	2.9
517.40417	2.4
521.25342	4.0
531.23981	6.3
532.24475	1.8
535.25439	10.0
535.41327	2.2
549.25238	7.3
550.25690	3.0
559.23608	2.6
591.25983	11.6
591.43451	6.1
592.25629	1.7
609.27429	74.5
609.45050	100.0
610.27411	12.9
610.45038	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	609.1811
Annotation	Hispidulin 7-neohesperidoside
Peak:m/z	Relative Intensity
55.05480	0.1
57.03436	0.9
58.49440	0.1
63.48578	0.1
69.03395	0.2
69.95254	0.4
71.04990	4.9
72.27719	0.1
73.02899	0.1
75.04427	0.4
83.04978	0.2
85.02899	5.2
89.03885	0.2
91.05444	0.1
92.54684	0.1
97.02847	0.3
107.04913	0.1
111.04459	0.1
117.03330	0.3
119.04921	0.1
119.52393	0.1
121.06486	0.2
122.36882	0.1
129.05484	1.1
135.04391	0.9
145.02832	0.7
147.04391	0.3
147.06432	0.2
149.05974	0.2
151.03885	0.2
153.01752	0.6
163.03897	7.7
167.60916	0.1
171.02795	0.1
175.03888	0.1
177.09863	0.1
181.04991	0.2
255.06491	0.1
257.04584	0.2
258.05228	9.3
259.05759	0.2
286.04703	34.0
287.05103	0.7
301.07040	100.0
302.07370	1.7
309.09753	0.1
325.09146	1.1
430.56497	0.1
463.12329	21.0
464.12646	0.6
609.17499	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.3
53.11035	0.3
55.05513	0.5
57.03432	2.2
67.05485	0.3
69.03422	2.5
71.01333	0.5
71.04991	8.3
71.59518	0.3
71.59972	0.4
73.02899	0.8
74.03284	0.3
75.04469	0.5
79.05483	0.7
81.03415	1.2
83.04983	0.5
85.02899	12.9
87.04444	0.4
89.03898	2.7
93.07042	0.5
95.04977	0.4
97.02891	5.1
97.95612	0.3
98.03228	0.6
103.05464	0.3
107.04956	1.4
109.02857	0.4
111.04430	0.5
115.03933	0.4
117.03382	4.6
117.07037	0.4
121.06508	2.0
127.03915	0.9
129.05460	3.0
135.04414	11.2
137.05966	0.8
145.02838	8.8
145.06480	0.9
147.04437	0.5
147.06560	0.6
151.07512	0.7
153.01845	0.8
161.05954	0.3
163.03896	100.0
164.04272	0.4
167.06979	0.5
181.04974	2.1
187.07593	0.7
205.08569	0.4
231.10054	0.4
235.09834	0.4
258.05215	6.7
265.06973	0.5
283.08215	0.3
286.04700	28.2
287.05060	0.6
301.07053	81.4
302.07391	1.0
307.08179	0.9
309.09744	2.2
325.09164	13.4
430.74167	0.4
463.12317	18.4
609.18018	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2706
Annotation	Epoxypheophorbide a
Peak:m/z	Relative Intensity
53.03932	0.5
53.85715	0.4
55.05514	2.1
57.03441	0.4
63.64171	0.3
63.89233	0.3
67.05503	4.2
69.07059	1.4
69.52562	1.9
69.52979	0.9
79.05496	4.2
81.07050	4.8
83.08623	1.0
85.06552	0.4
86.21249	0.3
91.05484	3.8
93.07043	4.1
95.04973	0.4
95.08608	3.6
97.06536	0.4
98.21452	0.7
101.88005	0.3
105.07020	3.1
107.08578	2.4
109.10167	1.2
117.07009	2.1
119.08583	2.4
119.09356	0.4
121.10134	1.2
129.07028	0.7
131.08559	2.5
133.10143	1.9
135.11676	0.8
141.06964	0.7
143.08594	1.0
145.10124	3.8
147.11719	1.3
149.09622	0.5
149.13264	0.8
155.08521	0.6
157.10165	1.3
159.11671	2.2
161.13217	0.7
169.10130	0.6
171.11717	0.5
173.13257	1.0
181.10194	0.4
183.11690	0.7
185.13310	0.7
187.14795	0.4
197.13237	0.6
199.14990	0.5
209.10637	0.4
237.13762	0.4
239.17967	0.9
257.19000	2.6
261.22272	0.4
275.20062	2.3
328.19128	0.4
331.22604	1.0
335.25882	2.1
376.17505	0.5
377.17639	0.7
389.18451	0.7
390.18350	0.5
391.19244	1.9
392.19937	1.2
400.16913	0.4
401.17752	0.6
402.18573	0.4
403.19629	0.7
404.20703	0.7
405.16385	0.4
405.21097	3.1
406.21393	1.7
407.22247	2.8
412.17694	0.4
414.18640	0.5
415.19199	2.1
417.16541	0.7
417.21417	0.6
418.22116	0.7
419.17917	0.7
419.22470	1.4
420.23352	0.5
421.23877	5.0
422.24634	0.6
427.19427	0.7
428.19974	0.9
429.20840	3.0
430.21753	1.8
431.22897	0.6
432.19424	0.6
433.20004	0.8
433.24692	0.8
442.21664	0.6
443.22842	0.7
444.23053	1.3
446.21695	0.5
447.18375	1.5
448.18506	0.7
449.23312	0.9
451.21649	0.4
452.21872	0.4
456.19321	0.5
457.24799	1.9
458.24930	0.5
459.22195	2.6
460.22446	1.4
461.19016	4.9
462.20282	2.3
463.21292	1.2
465.22998	0.5
470.21182	0.5
472.22791	0.9
474.19928	0.8
475.20963	7.0
476.21774	6.2
477.22400	4.0
478.23999	0.5
485.23602	9.2
486.20181	2.4
487.25177	0.7
488.22223	1.1
489.22818	4.0
493.27078	0.4
494.26703	1.3
499.21329	2.4
500.21909	1.2
502.23508	0.7
503.24609	5.5
504.21854	1.1
507.24130	0.7
513.22717	1.7
514.23602	0.4
515.24469	7.8
517.22632	1.1
517.40759	0.5
518.22833	0.9
521.25940	2.7
531.23871	14.2
532.24884	0.4
533.25653	0.7
535.23730	1.0
541.22241	0.7
548.24268	0.9
549.24792	1.8
550.25708	4.1
559.23468	6.5
577.24463	1.0
591.26031	28.1
609.27069	100.0
609.43298	11.1
610.27301	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2907
Annotation	Methyl pheophorbide a
Peak:m/z	Relative Intensity
65.25217	0.1
70.77511	0.2
70.77861	0.1
94.86703	0.1
108.94122	0.1
122.79344	0.1
140.02939	0.1
153.75601	0.1
191.65103	0.1
242.69099	0.1
388.16754	0.1
389.17377	0.1
401.17752	0.1
402.18448	0.3
403.19217	0.5
404.19827	0.3
405.20718	0.3
415.19455	0.1
416.20135	0.3
417.16617	0.2
417.21338	0.9
418.21909	0.4
419.22354	0.8
421.24091	0.1
429.20883	0.1
430.21912	0.1
431.18250	2.4
432.18463	0.5
432.23718	0.2
433.24060	3.3
434.24646	0.8
443.18326	0.1
444.18826	0.1
445.19836	2.5
446.20743	1.7
447.21704	2.2
449.23358	0.2
450.71451	0.1
457.20139	0.1
458.21045	0.1
459.21475	2.3
460.15768	0.2
460.22473	7.6
461.23334	7.9
462.24509	0.3
472.22656	0.1
473.23608	1.9
474.24213	0.8
477.22769	0.5
486.20230	0.1
487.25101	1.2
488.26172	0.3
489.22925	0.2
491.20612	0.3
491.24948	0.3
492.25153	0.6
493.25745	0.1
501.22736	0.1
503.20599	0.1
503.28397	0.1
504.25763	0.1
505.21756	2.0
506.26791	0.3
507.27509	0.1
515.24329	0.5
517.21722	0.1
518.22931	0.4
519.24158	1.3
520.24451	0.2
532.24396	0.5
533.25299	0.3
535.23468	0.1
546.22430	0.2
547.27020	24.5
548.27533	0.9
549.24799	0.1
563.23596	0.1
564.26758	0.2
565.27820	0.1
575.26636	0.9
577.24231	0.1
578.25323	0.4
579.29852	0.6
592.26416	0.2
606.27875	0.1
607.29065	100.0
608.29297	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2152
Annotation	Kadsuphilol L
Peak:m/z	Relative Intensity
64.31287	0.2
67.05515	0.4
69.03425	0.2
70.16766	0.4
70.17174	0.9
77.94981	0.2
79.05508	0.3
81.07044	1.3
85.02886	0.5
86.09717	0.2
91.05470	0.3
93.07058	0.4
95.04972	0.4
95.08652	0.2
96.06893	0.2
105.07052	0.3
107.04956	0.3
107.08611	0.3
119.04967	0.3
131.08655	0.3
131.23044	0.2
135.04395	0.2
135.11700	0.3
135.92479	0.2
137.05983	0.3
147.04414	0.4
149.13202	0.2
155.64946	0.2
161.06117	0.2
162.45161	0.2
163.03918	0.7
167.07094	0.5
177.05330	0.3
189.05313	0.3
228.07637	0.3
251.11935	0.2
252.12473	0.2
266.13861	0.2
272.80225	0.2
289.27902	0.2
311.13852	0.3
312.14102	0.4
352.86374	0.3
367.11707	0.4
395.11096	2.9
409.12402	0.4
410.13388	8.1
411.14197	0.5
447.21591	0.2
451.16202	0.5
472.17627	0.3
562.91046	0.2
577.19830	0.3
607.21478	100.0
608.22046	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.2043
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48862	0.3
56.48200	0.3
60.35741	0.3
70.75478	0.2
71.59496	0.3
77.77525	0.3
85.02902	0.3
101.36246	0.3
133.89778	0.3
147.04340	0.4
163.03917	0.3
167.07072	0.5
170.58713	0.3
185.04115	1.6
241.53011	0.3
289.07132	0.4
309.09726	0.4
425.12033	1.0
440.14273	2.0
441.15536	2.0
603.20453	100.0
604.20856	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	607.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	0.8
54.97210	0.4
55.01866	0.6
55.05493	1.0
57.03190	0.5
57.03437	6.0
58.24794	0.3
59.04986	0.5
60.57330	0.3
61.02891	0.4
63.02357	0.5
65.03928	0.8
68.60151	0.3
69.03423	3.7
69.38606	0.4
70.03097	1.8
71.01343	0.9
71.04991	34.0
73.02891	0.9
75.04483	2.3
79.05485	1.0
81.03045	0.4
81.03416	3.7
83.04975	5.0
85.02901	44.1
87.04440	1.3
89.03912	5.5
91.05482	14.8
95.04969	0.7
97.02887	5.7
99.04433	1.2
107.04951	3.6
109.02859	0.6
109.06509	0.7
111.04443	2.9
115.05387	0.4
117.03368	6.0
119.04942	7.6
123.04428	2.4
127.03903	1.4
129.05479	10.6
129.06998	0.5
131.04874	0.5
135.04422	14.2
137.05972	40.2
145.02841	10.6
145.06410	0.4
147.04427	1.9
147.06505	1.9
149.06001	1.1
151.07544	0.8
157.06436	0.6
161.05974	1.1
163.03900	100.0
164.04222	0.6
165.05472	11.1
165.06877	0.5
173.06024	0.6
175.07506	0.7
177.05453	0.6
179.07024	0.7
181.04977	3.8
185.05980	0.9
189.05408	0.5
191.06987	0.7
197.05954	0.4
199.07521	0.7
203.07068	1.5
207.06453	0.5
217.08536	1.0
217.64470	0.3
221.08099	0.9
225.90819	0.3
233.08150	2.1
245.08049	3.5
263.09140	3.0
269.08084	0.5
273.07654	1.0
281.10342	0.8
290.38046	0.3
291.08734	1.2
293.84488	0.4
297.08157	0.3
307.08148	3.3
309.09692	1.1
443.13541	0.8
453.13950	1.6
461.14560	3.7
607.20172	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	603.2043
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48862	0.3
56.48200	0.3
60.35741	0.3
70.75478	0.2
71.59496	0.3
77.77525	0.3
85.02902	0.3
101.36246	0.3
133.89778	0.3
147.04340	0.4
163.03917	0.3
167.07072	0.5
170.58713	0.3
185.04115	1.6
241.53011	0.3
289.07132	0.4
309.09726	0.4
425.12033	1.0
440.14273	2.0
441.15536	2.0
603.20453	100.0
604.20856	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	603.1704
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.3
55.01869	1.6
55.49199	0.2
57.03434	1.3
61.02920	1.6
61.16391	0.2
68.99778	1.5
69.03422	5.1
70.60439	0.3
70.60804	0.7
71.01325	0.2
71.04989	1.2
73.02924	1.1
81.03380	0.9
83.01299	0.3
83.04971	0.3
85.02897	11.8
87.04431	0.3
91.03918	0.5
91.05466	1.3
95.04935	0.5
97.02388	0.2
97.02892	2.3
99.04427	0.6
103.03900	0.2
103.05463	0.2
105.03376	0.4
107.04922	0.4
109.02834	0.7
115.03900	0.5
115.05413	0.5
117.03288	0.3
117.06969	0.5
119.04938	2.6
123.04417	12.9
124.05199	0.3
125.02322	0.3
125.60809	0.2
127.03925	1.9
128.06201	0.3
129.05463	0.4
129.06975	0.7
131.04874	0.4
131.08533	0.6
133.06453	0.8
135.04443	1.3
137.05933	0.5
138.58482	0.2
139.03885	1.1
141.01773	0.8
141.06966	1.3
143.04889	0.5
145.02774	0.4
145.04950	1.0
145.06442	1.4
147.03218	0.3
147.04395	7.0
147.07980	0.7
149.05937	0.6
151.03923	1.1
155.04872	0.6
157.06490	1.5
159.04395	0.6
159.08034	0.7
161.05980	7.0
163.02527	0.4
163.03889	7.1
163.07539	0.4
165.05463	2.8
168.84961	0.2
169.06512	1.4
171.04317	0.4
173.05965	2.6
175.03891	5.9
175.07512	1.0
177.05452	1.8
181.04930	0.2
181.06378	0.2
183.04416	0.7
185.05983	3.2
187.03899	0.3
187.07520	1.9
188.04636	0.4
189.05469	4.7
191.03474	0.3
191.06978	0.7
197.05952	1.7
199.03929	0.5
199.07588	0.5
200.04668	0.5
201.05444	5.7
203.03352	0.4
203.07034	2.5
205.04956	0.6
211.03856	1.3
213.05450	11.4
215.03568	2.5
215.07007	10.9
215.08760	0.2
217.04944	7.7
219.06537	1.5
225.05513	1.9
227.03343	0.5
227.07021	0.5
229.04935	5.2
230.05325	0.2
231.06538	2.6
232.03410	0.2
241.04889	1.2
243.06522	18.6
244.03618	1.0
245.04428	3.4
245.08092	0.6
247.06021	1.3
253.04900	1.0
255.06493	0.6
256.89224	0.2
259.05994	7.1
261.07547	1.3
271.05988	12.8
272.06387	0.2
273.07538	2.6
277.07135	1.0
283.06003	0.6
285.07574	0.4
289.07034	100.0
290.07434	1.1
301.06985	1.1
319.08209	0.5
325.09091	0.2
341.10211	0.5
351.08524	0.2
353.09857	0.3
365.10080	0.4
367.08160	0.6
369.09634	2.1
371.11105	0.3
395.11230	2.9
396.08392	0.4
397.09171	0.3
411.10776	0.8
423.10648	2.0
425.12262	1.0
441.11768	94.5
442.12006	1.1
451.12357	3.1
603.16907	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	603.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16253	0.3
55.01852	1.3
57.03410	1.1
61.02932	1.4
68.99789	1.6
69.03429	4.4
69.85038	1.5
71.04961	0.6
73.02905	0.7
81.03384	0.9
83.01329	0.3
85.02900	9.9
87.04446	0.4
91.03938	0.4
91.05477	1.4
96.30067	0.3
97.02891	2.2
99.04405	0.6
100.68070	0.3
101.02406	0.5
107.04915	0.5
109.02845	0.7
112.38473	0.3
115.05431	0.6
117.07013	0.7
119.04961	2.3
121.06484	0.5
123.04426	13.1
127.03903	1.9
128.08148	0.3
129.06955	0.7
131.04936	0.3
131.08528	0.7
133.06453	1.2
135.04359	0.5
137.05934	0.5
139.03880	1.3
141.01735	0.4
141.07024	1.7
145.04953	0.5
145.06465	1.3
147.04411	7.5
147.08009	0.6
149.06012	0.6
151.03880	1.3
155.04854	0.6
157.06473	1.3
159.08002	0.5
161.05984	6.5
163.03845	1.5
165.05473	3.1
169.06464	1.1
171.04364	0.5
173.05995	3.1
175.03917	4.6
175.07498	0.5
177.05492	1.5
183.04390	0.9
185.05969	3.0
187.03902	0.3
187.07532	1.4
189.05469	4.3
191.07013	0.8
197.05956	1.4
199.04024	0.4
199.07553	0.5
200.04698	0.5
201.05460	5.8
203.07021	2.6
205.05032	0.7
207.06552	0.4
211.03957	1.0
213.03423	0.6
213.05472	11.2
215.03592	2.2
215.07013	11.5
217.04948	7.3
219.06512	1.3
219.43095	0.3
225.05447	1.3
227.03293	0.4
227.06967	0.8
229.04982	5.4
231.06581	2.8
241.04961	1.3
243.06529	18.5
244.03607	0.8
244.07245	0.5
245.04471	4.3
245.06949	0.4
245.08093	0.7
247.06062	1.3
253.04945	1.3
255.06529	0.8
259.06018	6.9
261.07562	1.3
271.06012	12.7
273.07489	1.5
274.04480	0.4
277.07065	1.0
283.05875	0.6
289.07059	100.0
290.07370	1.3
301.06921	1.8
319.08374	0.6
340.18161	0.3
341.10187	0.4
351.08649	0.3
365.10220	0.9
367.08081	0.7
369.09717	2.4
371.11090	0.3
376.68890	0.3
395.11310	2.9
400.05939	0.3
411.10638	0.5
413.23984	0.3
423.10791	2.2
425.12210	0.7
441.11804	93.7
442.12335	2.1
451.12299	4.3
603.17072	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	602.3102
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61609	0.3
53.03948	0.4
55.01860	0.6
55.05503	3.6
57.03432	0.4
57.07075	0.7
58.99581	1.1
61.72726	0.4
65.03587	0.3
65.03928	0.7
67.05503	13.5
69.03419	0.7
69.07066	5.5
70.20016	1.9
71.04985	0.5
71.08633	0.9
73.06512	0.3
74.00670	2.2
76.02205	1.2
76.03986	0.6
79.05490	5.7
79.64237	0.4
80.05011	1.3
81.03384	0.7
81.07054	11.8
83.04969	1.4
83.06098	1.2
83.08617	1.3
84.04490	5.8
85.01126	0.8
85.06558	0.4
86.00657	1.9
86.99057	0.7
87.02705	0.7
88.02190	0.8
89.84259	0.4
91.05482	2.4
93.07035	6.3
94.06550	0.5
95.04976	1.0
95.08604	10.4
97.01121	1.3
97.06538	1.5
97.10167	0.7
99.01404	0.8
99.02677	0.5
99.05566	0.6
99.08087	0.6
100.02183	1.3
101.44595	0.4
105.07024	2.4
107.08587	3.0
109.06491	0.7
109.10126	2.3
111.02662	1.0
111.08062	0.5
112.02190	3.4
113.00603	0.8
114.03739	4.3
116.01659	3.1
117.07063	0.7
119.08585	3.4
121.10145	2.3
123.08058	0.8
123.11706	0.9
125.09621	0.4
126.03744	0.9
129.06630	1.3
130.04988	1.3
131.08522	0.7
133.10143	1.6
134.09686	0.4
135.11674	1.3
136.20923	0.4
137.04185	0.4
137.09605	2.3
137.13240	2.6
138.03712	0.5
139.03177	0.5
139.11130	0.4
143.02744	0.5
144.01166	1.2
145.06136	0.6
145.10101	0.5
147.04468	0.5
147.11688	1.5
149.09572	0.4
149.13300	0.8
150.12715	0.6
151.11209	0.7
157.10059	0.4
159.11653	0.7
161.13197	1.0
162.02174	1.1
164.10715	0.4
164.14349	1.0
165.12680	0.6
167.08893	0.6
169.04324	0.6
170.11844	0.5
173.13257	0.5
175.14845	0.5
179.04829	1.0
181.06053	0.6
181.12228	0.9
185.03767	2.1
187.05359	0.7
189.03221	0.8
196.11583	3.9
196.13255	0.7
199.07170	0.6
209.09932	0.4
215.04836	2.6
216.05598	2.4
216.10573	0.6
224.08807	0.9
224.11031	19.3
225.09557	0.6
225.11786	0.5
229.06381	0.6
231.04233	2.4
231.21130	0.8
233.05952	1.1
241.11292	0.9
242.12085	37.2
249.22165	0.8
257.07635	0.4
259.20880	0.7
269.10681	0.7
277.21634	5.4
282.15427	0.4
291.17853	0.6
294.24182	1.2
295.22668	4.3
298.13351	0.5
299.14203	0.8
308.09088	1.0
308.20297	0.4
309.18799	1.0
317.19312	0.5
318.24405	0.5
325.22046	1.2
326.21362	1.2
334.22107	1.7
335.20343	2.6
344.14017	8.9
345.14929	1.0
348.68277	0.4
352.23032	11.9
352.27200	0.8
353.21469	2.3
370.24054	9.2
409.25214	0.8
455.25732	100.0
456.25833	1.2
485.48999	0.4
527.27838	5.0
539.27161	0.5
584.29968	0.9
585.27972	0.7
602.30951	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	602.2958
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	0.4
56.96537	1.4
57.07074	5.9
58.06598	2.3
65.03928	0.4
67.05476	1.0
68.05011	0.4
69.07049	0.5
69.85479	2.2
70.06591	18.1
71.08624	3.1
72.08110	0.4
79.05453	0.3
81.07017	0.9
84.08085	0.4
85.02893	0.4
87.08139	0.3
87.18159	0.3
88.07627	21.9
91.05477	0.4
93.07098	0.4
95.04903	0.4
102.09177	15.2
103.05457	0.4
105.03349	0.5
109.10112	0.5
131.04904	0.7
134.66360	0.4
135.11720	0.4
139.03873	0.8
146.11736	0.6
147.04381	1.2
149.02338	33.0
156.17418	0.8
175.03874	1.3
177.05469	0.8
193.04955	42.7
194.05249	0.6
200.20085	47.5
201.20490	0.5
213.04446	0.4
219.06555	1.2
225.05382	0.7
237.07567	11.7
239.02237	3.0
240.02679	0.9
244.22728	1.6
257.03363	2.9
258.03668	1.4
262.03754	0.4
269.04410	1.0
281.05423	0.4
297.03860	1.9
302.26633	0.4
313.07019	2.6
341.06525	9.8
343.08255	0.5
359.07568	6.2
373.13205	0.9
374.13446	1.3
385.09171	22.7
386.09583	0.4
429.11810	25.9
455.25897	0.4
463.23022	0.3
584.28412	0.9
602.29572	100.0
603.29779	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	601.4265
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93033	1.1
51.03741	1.4
53.03941	3.3
55.05506	8.9
57.07067	5.7
59.05013	1.8
61.15583	1.2
65.03931	3.2
67.05508	15.8
69.03426	6.6
69.07078	10.2
69.31421	12.0
71.04995	1.5
79.05490	24.2
80.05819	2.5
81.03435	1.6
81.07055	100.0
82.07389	23.2
83.04984	8.1
83.07706	1.7
83.08612	5.1
85.06553	3.1
87.04457	2.7
89.06001	1.4
90.43396	1.1
91.05477	28.5
92.05810	3.4
93.07041	56.3
94.07366	10.0
95.04966	13.8
95.08604	25.9
96.08955	3.3
97.06540	5.3
103.05460	3.1
105.07026	38.5
105.07751	1.5
106.07363	1.7
107.04965	1.8
107.08590	58.9
108.08919	11.8
109.06498	6.8
109.09373	2.2
109.10141	14.8
111.08102	2.9
113.09632	2.6
115.05387	2.4
117.07013	9.4
119.04920	8.9
119.08575	38.3
120.05270	2.8
121.06503	4.7
121.10136	34.8
122.10512	1.8
123.08068	7.5
123.11705	4.0
125.06023	1.6
125.09611	5.4
128.06229	5.4
129.07005	8.2
130.07776	4.1
131.08563	17.7
133.06508	2.3
133.10133	25.7
135.08069	7.3
135.11687	53.6
136.12029	20.4
137.09618	4.0
137.12332	3.5
137.13252	28.6
138.13593	14.4
139.11176	3.6
139.13933	2.1
141.06975	3.2
142.07756	8.6
143.08562	15.6
144.09314	4.6
145.06470	2.7
145.10130	25.4
147.04410	26.1
147.08058	5.7
147.11679	8.8
148.04756	11.5
149.04941	3.5
149.09584	9.3
149.13211	1.5
151.07535	2.5
151.11182	1.7
153.12729	1.9
154.07729	2.0
155.08548	7.8
155.10689	2.8
156.09372	5.6
157.10132	25.3
158.10818	3.0
159.08080	6.3
159.11696	16.2
161.09648	5.6
161.13254	3.5
163.11179	2.7
165.06984	2.8
165.09143	5.5
167.08549	4.1
167.10658	24.0
168.09427	2.8
169.10121	11.4
170.10881	4.3
171.11707	17.8
172.12132	1.8
173.09607	4.0
173.13251	11.9
174.13550	2.0
175.11186	4.8
175.14799	7.5
179.08548	3.9
179.10667	1.8
180.09235	1.7
181.10150	6.7
181.12296	2.2
182.10927	3.0
183.11719	11.7
184.12448	1.8
185.09685	2.8
185.13258	6.9
187.11192	3.2
187.14789	6.2
189.12750	4.9
193.10167	4.7
194.10957	3.0
195.11685	11.3
196.12430	4.4
197.13223	11.4
199.14819	4.4
201.12740	3.3
201.16325	3.5
203.14336	3.4
206.10892	3.3
207.11697	6.3
207.13580	1.5
208.12309	3.7
209.13254	11.5
210.13976	2.9
211.14850	8.1
213.09061	4.4
213.12750	2.5
213.16286	2.1
214.09326	2.1
215.14250	3.1
217.10176	1.6
220.12228	1.6
221.13242	6.6
221.15407	11.8
223.14793	5.5
225.12738	2.6
225.16411	4.1
227.14388	1.9
231.11702	2.5
233.13190	3.2
233.15398	12.9
235.14873	3.3
237.16382	4.1
247.14780	3.2
247.17085	2.0
249.16397	2.7
251.17831	2.3
255.17577	2.1
257.19104	1.5
259.14865	2.8
261.16315	2.6
262.16891	1.2
263.18048	1.4
265.19519	2.5
269.18973	4.3
275.17929	1.6
277.19345	1.6
281.18970	1.9
283.20618	3.4
287.20157	1.6
295.20389	1.6
299.16711	1.7
299.20163	2.5
300.16620	2.1
301.21875	2.3
356.23193	1.4
565.40692	2.6
583.41370	6.4
601.42535	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	601.4261
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	1.3
53.03935	3.9
55.05509	11.0
56.05846	1.1
57.07078	7.7
57.07334	1.0
59.04982	1.8
65.03934	3.0
65.39552	1.2
67.05506	19.6
69.03421	9.0
69.07056	13.2
69.42076	4.8
69.42499	6.5
71.04995	1.6
75.70361	1.1
77.03947	1.7
79.05495	21.7
80.05825	1.8
81.03433	1.7
81.07056	100.0
82.07388	14.3
83.04981	10.3
83.07706	1.2
83.08604	7.8
85.06548	2.9
86.47176	1.2
87.04427	1.9
90.51028	1.4
91.05478	37.1
92.05810	3.0
93.07038	55.5
94.07371	4.7
95.04964	13.5
95.08604	40.4
96.08900	2.0
97.06506	6.5
98.20776	2.3
103.05434	2.3
105.04514	1.6
105.07027	50.7
106.07323	2.3
107.04927	2.3
107.08591	50.7
108.08900	8.3
109.06520	8.6
109.10153	16.5
111.08068	4.1
113.09650	2.2
115.05450	4.7
116.06231	1.8
117.07005	12.0
119.04945	5.8
119.08572	47.4
120.08870	1.5
121.02955	1.2
121.06513	10.1
121.10139	40.4
123.08069	11.0
123.11694	6.7
124.87280	1.2
125.06001	3.3
125.09630	7.0
128.06195	7.3
129.07016	10.2
130.07770	4.4
131.08554	21.7
131.87900	1.2
132.09157	1.4
133.06485	3.7
133.10120	29.5
135.08057	11.9
135.11679	23.1
136.12018	10.4
137.09656	6.1
137.12389	2.1
137.13252	45.0
138.13597	13.1
139.11168	1.9
141.07014	3.5
141.58670	1.2
142.07793	9.8
143.08572	21.7
144.09428	6.4
145.06474	2.0
145.10117	34.5
146.07191	1.6
147.04407	13.3
147.08051	12.2
147.11699	11.2
149.09627	7.6
149.13217	2.6
151.07509	5.9
151.11192	1.3
153.07005	2.3
153.09155	1.3
154.07727	1.3
155.08533	9.3
156.09366	10.3
157.10127	27.6
158.10829	2.0
159.08054	6.0
159.11691	24.0
159.12994	1.8
161.09644	7.7
161.13258	4.7
163.11182	7.0
165.05544	1.4
165.07030	3.4
165.09102	18.6
167.08537	4.6
167.10677	24.9
168.09332	3.5
169.10115	15.4
170.10863	4.2
171.11668	19.2
173.09627	2.9
173.13255	13.1
175.11203	5.5
175.14836	6.5
177.12758	2.0
178.07730	1.9
179.08519	5.1
180.09308	3.1
181.10123	8.7
181.12271	7.2
182.10899	5.6
183.11699	13.3
184.12383	2.9
185.09546	1.8
185.13298	10.5
187.11208	2.7
187.14821	5.4
189.12767	4.3
189.16325	1.9
191.14268	4.6
192.09319	2.5
193.10141	5.5
193.12100	1.5
194.10876	5.1
195.11691	10.9
196.12500	2.7
197.13199	11.6
198.13792	1.6
199.11134	2.5
199.14874	6.3
201.12744	3.1
201.16382	2.7
203.14331	8.8
203.18031	1.7
204.18390	1.9
205.10101	1.5
207.11699	8.4
207.13783	4.7
208.12402	5.1
208.14281	1.4
209.13266	14.0
209.15302	3.2
210.13972	2.7
211.11095	2.9
211.14772	6.6
212.15387	1.5
213.09059	3.7
213.12683	2.9
213.16357	4.3
214.09448	1.7
215.14293	2.0
217.15887	3.7
219.11702	3.7
220.12505	2.0
221.13217	8.1
221.15308	43.3
222.13947	3.2
222.15891	2.7
223.14806	10.1
224.15500	1.5
225.12888	1.9
225.16313	4.8
227.14313	2.5
229.10298	1.3
231.11664	1.8
232.12422	2.4
233.13190	2.9
233.15366	11.9
235.14754	5.3
237.16580	3.1
239.17926	2.9
244.41840	1.3
245.13251	2.6
246.13963	2.3
247.14693	4.2
247.17017	2.2
249.16463	3.7
250.17012	1.6
251.17914	1.7
255.17403	2.6
257.19000	2.9
260.15521	2.5
261.16260	3.9
263.17938	2.6
265.19519	3.9
267.17395	2.0
275.17734	2.7
277.19257	2.0
283.20593	4.6
287.20197	2.8
293.18869	2.3
295.20370	1.8
299.20053	3.6
300.20938	2.8
301.21564	4.4
311.19867	1.5
312.20734	2.3
325.21722	1.4
331.24112	2.8
349.25314	3.3
352.23828	4.4
353.24365	3.9
357.25781	2.0
365.24026	1.4
367.26404	3.5
374.42252	1.5
375.27072	2.0
380.22916	1.3
473.33966	2.4
491.35062	2.6
501.98904	1.7
503.35052	1.9
521.35858	4.5
565.40747	6.6
583.41589	9.5
601.42499	23.1
619.76416	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.4263
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77627	1.4
53.03931	2.0
55.05510	10.0
57.07056	4.9
59.04995	2.2
63.05134	1.3
65.03931	3.8
67.05225	1.4
67.05508	16.9
67.46904	1.2
69.03417	9.1
69.07063	11.5
70.80035	5.3
71.33234	1.7
72.16276	1.3
77.03927	1.6
79.05494	23.9
80.05776	1.9
81.07053	100.0
82.07384	11.6
83.04979	8.6
83.07729	2.0
83.08605	5.2
87.04457	1.7
88.15385	1.3
91.05470	31.6
92.05785	2.3
93.07040	52.2
94.07363	5.7
95.04978	13.2
95.08047	2.4
95.08604	29.9
96.08921	3.2
97.06524	6.8
99.08125	1.6
103.05459	1.8
105.07028	44.4
105.10147	1.6
107.04933	2.6
107.08592	45.1
108.08895	7.1
109.06503	9.7
109.10132	15.1
109.44767	1.5
111.08016	1.9
115.05397	2.5
117.06993	7.9
119.04973	3.5
119.08572	42.5
121.06490	4.9
121.10138	38.9
122.10518	1.4
123.08064	10.3
123.11683	5.0
125.05987	3.4
125.09607	5.4
128.06186	6.7
129.06970	9.9
130.07756	4.4
131.08565	23.0
133.06451	1.8
133.10118	29.1
135.08087	10.5
135.11685	37.4
136.12032	18.3
137.09616	7.3
137.13248	44.2
138.13597	9.2
138.23235	1.6
139.11227	2.1
139.13885	1.7
141.06995	3.3
142.07776	10.5
143.08556	22.7
144.09331	7.2
145.10115	36.0
147.04404	33.4
147.08025	10.3
147.11708	10.3
149.09612	7.6
149.13152	1.8
151.07541	4.2
151.11168	2.3
153.07040	2.2
154.07671	1.5
155.08525	9.6
156.09357	8.5
157.10136	25.5
158.10718	2.7
159.08049	6.4
159.11696	22.1
161.09558	7.6
161.13199	5.7
163.11172	6.3
165.05595	1.8
165.06960	3.1
165.09119	15.0
167.08533	4.5
167.10658	24.8
168.09305	2.7
169.10123	16.5
170.10837	5.6
171.11705	17.4
173.09637	2.5
173.13266	13.4
175.11165	4.3
175.14806	8.0
179.08527	5.7
180.09273	1.8
181.10120	5.7
181.12195	6.0
182.10867	5.1
183.11687	13.5
184.12450	2.6
185.09738	2.7
185.13277	11.0
187.11169	2.9
187.14758	3.0
189.12700	3.7
190.13470	1.8
191.14238	3.2
193.10112	5.7
194.10863	4.5
195.11703	11.3
196.12402	4.2
197.13254	9.2
199.11198	2.0
199.14816	9.1
200.11670	2.1
201.12651	2.5
201.16431	2.2
203.14322	8.2
205.10170	3.5
205.15787	2.3
206.10919	3.7
207.11610	7.1
207.13583	2.8
208.12392	3.9
209.13214	10.3
209.15192	3.4
210.13834	2.6
211.14734	9.6
213.09059	3.8
213.12592	2.2
213.16455	1.7
215.14259	3.7
217.15816	3.6
219.11664	2.8
220.12350	2.6
221.13174	7.4
221.15286	37.2
222.13834	1.9
222.15721	2.6
223.11113	1.7
223.14644	8.1
225.12807	1.7
225.16373	4.8
227.14244	3.9
229.15950	1.7
233.13144	4.2
233.15352	11.2
234.15926	2.9
235.14764	4.3
236.15384	2.0
237.16417	4.6
238.15236	2.0
239.17960	2.1
241.15948	1.8
244.12534	2.3
245.13191	2.0
246.03123	1.7
246.14014	2.0
247.14844	4.2
249.16324	4.8
251.17966	5.0
255.17523	3.4
257.18887	1.6
261.16385	3.3
263.17899	3.7
265.19525	3.8
267.17490	2.0
269.18991	4.0
273.16156	1.8
275.17807	3.3
276.98053	1.4
277.19449	3.9
283.20636	7.1
285.18628	1.5
286.19360	1.9
287.20166	3.0
289.19446	1.6
295.20578	3.4
299.19910	3.6
301.21637	2.9
307.20566	1.7
311.19992	1.8
329.10135	4.3
349.25229	4.2
352.24185	2.5
353.24365	6.0
355.24020	1.6
359.23767	2.1
361.25165	2.2
367.26437	2.3
375.26993	2.0
389.26007	1.6
393.27722	2.1
448.27441	1.6
454.26761	1.5
491.34967	3.2
503.34845	2.2
509.35355	2.8
521.35724	5.1
547.38989	2.4
565.40430	7.4
583.41492	10.8
601.42377	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	601.4261
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	1.3
53.03935	3.9
55.05509	11.0
56.05846	1.1
57.07078	7.7
57.07334	1.0
59.04982	1.8
65.03934	3.0
65.39552	1.2
67.05506	19.6
69.03421	9.0
69.07056	13.2
69.42076	4.8
69.42499	6.5
71.04995	1.6
75.70361	1.1
77.03947	1.7
79.05495	21.7
80.05825	1.8
81.03433	1.7
81.07056	100.0
82.07388	14.3
83.04981	10.3
83.07706	1.2
83.08604	7.8
85.06548	2.9
86.47176	1.2
87.04427	1.9
90.51028	1.4
91.05478	37.1
92.05810	3.0
93.07038	55.5
94.07371	4.7
95.04964	13.5
95.08604	40.4
96.08900	2.0
97.06506	6.5
98.20776	2.3
103.05434	2.3
105.04514	1.6
105.07027	50.7
106.07323	2.3
107.04927	2.3
107.08591	50.7
108.08900	8.3
109.06520	8.6
109.10153	16.5
111.08068	4.1
113.09650	2.2
115.05450	4.7
116.06231	1.8
117.07005	12.0
119.04945	5.8
119.08572	47.4
120.08870	1.5
121.02955	1.2
121.06513	10.1
121.10139	40.4
123.08069	11.0
123.11694	6.7
124.87280	1.2
125.06001	3.3
125.09630	7.0
128.06195	7.3
129.07016	10.2
130.07770	4.4
131.08554	21.7
131.87900	1.2
132.09157	1.4
133.06485	3.7
133.10120	29.5
135.08057	11.9
135.11679	23.1
136.12018	10.4
137.09656	6.1
137.12389	2.1
137.13252	45.0
138.13597	13.1
139.11168	1.9
141.07014	3.5
141.58670	1.2
142.07793	9.8
143.08572	21.7
144.09428	6.4
145.06474	2.0
145.10117	34.5
146.07191	1.6
147.04407	13.3
147.08051	12.2
147.11699	11.2
149.09627	7.6
149.13217	2.6
151.07509	5.9
151.11192	1.3
153.07005	2.3
153.09155	1.3
154.07727	1.3
155.08533	9.3
156.09366	10.3
157.10127	27.6
158.10829	2.0
159.08054	6.0
159.11691	24.0
159.12994	1.8
161.09644	7.7
161.13258	4.7
163.11182	7.0
165.05544	1.4
165.07030	3.4
165.09102	18.6
167.08537	4.6
167.10677	24.9
168.09332	3.5
169.10115	15.4
170.10863	4.2
171.11668	19.2
173.09627	2.9
173.13255	13.1
175.11203	5.5
175.14836	6.5
177.12758	2.0
178.07730	1.9
179.08519	5.1
180.09308	3.1
181.10123	8.7
181.12271	7.2
182.10899	5.6
183.11699	13.3
184.12383	2.9
185.09546	1.8
185.13298	10.5
187.11208	2.7
187.14821	5.4
189.12767	4.3
189.16325	1.9
191.14268	4.6
192.09319	2.5
193.10141	5.5
193.12100	1.5
194.10876	5.1
195.11691	10.9
196.12500	2.7
197.13199	11.6
198.13792	1.6
199.11134	2.5
199.14874	6.3
201.12744	3.1
201.16382	2.7
203.14331	8.8
203.18031	1.7
204.18390	1.9
205.10101	1.5
207.11699	8.4
207.13783	4.7
208.12402	5.1
208.14281	1.4
209.13266	14.0
209.15302	3.2
210.13972	2.7
211.11095	2.9
211.14772	6.6
212.15387	1.5
213.09059	3.7
213.12683	2.9
213.16357	4.3
214.09448	1.7
215.14293	2.0
217.15887	3.7
219.11702	3.7
220.12505	2.0
221.13217	8.1
221.15308	43.3
222.13947	3.2
222.15891	2.7
223.14806	10.1
224.15500	1.5
225.12888	1.9
225.16313	4.8
227.14313	2.5
229.10298	1.3
231.11664	1.8
232.12422	2.4
233.13190	2.9
233.15366	11.9
235.14754	5.3
237.16580	3.1
239.17926	2.9
244.41840	1.3
245.13251	2.6
246.13963	2.3
247.14693	4.2
247.17017	2.2
249.16463	3.7
250.17012	1.6
251.17914	1.7
255.17403	2.6
257.19000	2.9
260.15521	2.5
261.16260	3.9
263.17938	2.6
265.19519	3.9
267.17395	2.0
275.17734	2.7
277.19257	2.0
283.20593	4.6
287.20197	2.8
293.18869	2.3
295.20370	1.8
299.20053	3.6
300.20938	2.8
301.21564	4.4
311.19867	1.5
312.20734	2.3
325.21722	1.4
331.24112	2.8
349.25314	3.3
352.23828	4.4
353.24365	3.9
357.25781	2.0
365.24026	1.4
367.26404	3.5
374.42252	1.5
375.27072	2.0
380.22916	1.3
473.33966	2.4
491.35062	2.6
501.98904	1.7
503.35052	1.9
521.35858	4.5
565.40747	6.6
583.41589	9.5
601.42499	23.1
619.76416	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.3518
Annotation	Nocardamine
Peak:m/z	Relative Intensity
53.03951	0.7
55.05498	0.4
57.07068	0.5
66.04746	0.5
67.05505	3.1
69.07065	0.8
70.77360	1.0
70.77713	0.6
79.05487	4.3
81.07055	100.0
82.07372	0.7
84.39008	0.4
89.49133	0.4
93.07031	0.7
95.08602	9.1
95.09168	0.8
105.04546	0.4
109.10149	0.7
119.04909	0.6
137.13252	60.8
138.13579	0.7
147.04422	7.3
165.05473	0.6
377.10248	0.5
496.39249	0.4
522.03003	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.3521
Annotation	Unknow
Peak:m/z	Relative Intensity
56.84486	1.3
63.42917	1.2
67.05505	3.5
68.80826	1.4
70.77516	2.5
70.77877	2.6
71.89542	1.2
72.88661	1.2
78.19960	1.4
79.05494	4.0
81.07055	100.0
82.07381	5.3
91.05485	3.4
92.05814	1.4
93.07029	9.3
94.07370	2.1
95.04962	1.3
95.08595	10.6
107.04902	1.4
107.08602	11.4
108.08929	2.9
108.10127	1.2
119.04974	3.5
123.04461	2.3
135.11681	9.6
136.12025	4.8
137.13254	67.6
138.13573	3.1
147.04401	17.9
148.04752	5.9
149.05032	1.3
153.12875	1.1
165.05481	13.6
213.09068	1.4
251.07263	1.8
311.09259	4.8
426.25452	1.5
521.23907	1.4
569.06824	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.424
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54911	1.3
53.03932	2.8
55.05495	5.8
55.07419	1.3
57.07070	10.3
59.04992	2.5
67.05505	15.7
69.03438	8.6
69.07075	8.4
69.27542	17.3
79.05492	16.9
81.07056	92.9
81.94542	1.4
83.04961	4.4
83.08614	2.7
85.06536	3.3
91.05481	26.4
92.05782	2.1
93.07036	38.8
94.07370	3.3
95.04964	10.3
95.08045	2.4
95.08610	30.0
96.08938	1.7
97.06512	3.7
98.20833	3.1
103.05495	2.3
103.24211	1.5
105.06299	2.0
105.07027	39.9
107.08597	22.1
109.06526	10.1
109.10157	11.3
111.08009	4.4
115.05434	2.7
117.07012	11.2
119.04945	2.0
119.08578	51.1
121.02862	2.9
121.06534	6.9
121.10152	24.7
121.10999	1.7
123.04439	3.5
123.08059	16.1
123.11716	2.3
125.05979	5.8
128.06215	4.5
129.06999	8.3
130.07761	4.9
131.08568	17.7
133.06508	2.5
133.10130	22.3
135.08049	13.1
135.11682	6.5
137.09607	13.5
137.13254	27.1
141.06920	3.3
142.07819	7.9
143.08554	14.6
144.09290	5.7
145.10124	31.6
146.10419	2.5
147.04395	3.6
147.08057	29.9
147.11678	6.0
149.09583	6.3
151.07568	13.7
151.09785	5.8
151.10977	1.4
153.09001	1.9
154.07722	1.8
155.08554	5.7
156.09326	5.8
157.10130	19.2
158.10654	3.4
159.08080	3.0
159.11697	19.0
160.12045	2.5
161.09599	6.5
161.13248	7.7
163.11186	9.4
165.09106	52.2
166.09442	3.9
167.08559	3.0
168.09273	2.8
169.10109	8.7
170.10835	4.7
171.11671	9.6
172.12346	2.6
173.09662	2.8
173.13333	7.5
175.11211	5.0
175.14807	4.7
179.08527	2.3
181.10126	4.4
181.12173	7.7
182.10945	2.6
183.11717	10.8
185.13274	8.5
187.14792	5.0
189.12767	6.7
190.13457	2.0
191.10664	2.7
191.14030	2.2
193.05046	1.6
193.10106	4.0
193.12151	2.8
194.10887	2.0
195.11688	7.3
196.12320	2.2
197.13255	7.2
199.03899	3.4
199.11116	2.3
199.14801	2.6
199.35590	1.4
200.11836	1.9
201.12724	2.2
203.14322	18.3
204.14737	1.9
207.11649	4.4
207.13812	6.8
208.12405	1.8
208.14334	1.7
209.13211	5.3
209.15182	2.7
211.14777	4.9
213.09042	4.6
213.12692	1.9
213.16263	2.9
215.14334	2.0
219.11568	2.4
221.13475	4.1
221.15359	100.0
222.15694	7.5
223.14810	3.2
225.16444	1.9
227.14096	1.9
232.12407	1.6
233.13144	2.1
234.16043	2.1
235.06093	1.8
235.14754	2.8
239.17584	1.7
247.14703	2.7
247.17047	4.3
248.17337	2.9
249.16310	2.2
251.07082	7.8
253.15829	1.6
267.17407	1.6
271.17139	2.1
274.19019	1.9
287.20096	8.0
293.08127	10.1
299.20035	4.8
300.20636	3.5
301.21530	4.3
311.09048	5.7
311.20099	2.0
313.21625	2.2
325.21661	1.9
326.22134	2.5
341.24332	2.6
352.23859	3.2
353.24451	2.5
367.26297	8.0
375.26892	2.5
392.26559	1.9
426.27332	2.4
427.28137	1.5
440.29254	3.9
441.29761	6.6
463.72824	1.6
491.35208	12.3
509.35989	4.0
521.36115	8.5
583.41547	15.4
601.42419	37.5
602.42535	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	601.424
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.5
55.05508	6.1
57.07071	9.3
59.04999	2.7
65.03928	2.3
67.05506	9.8
69.03418	8.0
69.07059	6.2
69.50061	14.2
79.05494	11.9
81.07063	22.8
83.04977	4.5
83.08607	2.1
85.06538	3.9
87.61093	1.6
91.05473	27.0
93.07043	36.3
95.04974	9.4
95.08620	21.4
97.06538	3.5
98.20702	2.6
103.05495	1.7
105.07037	41.7
106.07352	1.9
107.04919	2.0
107.08599	22.7
109.06514	9.1
109.10179	9.5
111.08079	2.6
114.08492	1.4
115.05485	1.8
117.07030	9.8
119.08586	42.5
121.06523	5.0
121.10133	16.7
122.63876	1.6
123.08073	18.1
123.11687	2.2
125.05997	5.1
128.06200	2.6
129.07042	8.1
130.07733	2.7
131.08562	13.4
132.09319	2.4
133.06529	2.2
133.10123	23.4
135.08044	12.0
135.11665	5.8
137.06012	1.9
137.09619	10.9
137.13295	2.7
139.07535	1.8
141.06979	2.8
142.07782	7.4
142.36330	1.6
143.08606	15.0
144.09363	3.5
145.10132	29.7
146.10486	1.9
147.08049	30.5
147.09207	2.1
147.11685	8.2
148.08444	3.3
148.67651	1.5
149.09659	7.6
151.07579	13.0
155.08540	6.9
156.09325	3.7
157.10132	20.8
158.10712	2.0
159.08054	2.5
159.11693	16.7
160.12149	1.6
161.09578	5.8
161.13260	7.8
163.11185	8.6
165.09106	51.3
166.09529	2.8
167.08595	3.0
168.09355	2.7
169.10109	8.9
170.10948	3.6
171.11711	10.2
173.09642	2.9
173.13269	6.1
174.10336	1.6
175.11209	7.4
175.14854	4.7
176.11702	1.8
177.09047	1.8
177.12761	1.8
179.08592	2.6
181.10106	6.4
181.12291	8.2
182.10797	2.8
183.11688	10.2
185.13275	4.9
187.11197	3.2
187.14819	5.9
189.12735	4.5
191.14276	2.8
193.10167	3.5
193.12001	1.9
194.10927	3.5
195.11694	5.4
195.13498	1.6
196.12531	2.8
197.13249	8.0
199.11009	2.2
199.14771	2.4
201.12617	3.2
203.14349	20.4
207.11917	4.0
207.13843	8.2
209.13252	6.4
209.15381	1.6
211.14818	4.3
213.12709	2.3
218.10843	1.8
219.11812	2.0
221.13425	3.9
221.15364	100.0
222.15767	6.4
222.71022	1.7
223.14729	2.3
234.16087	2.3
235.14812	3.0
237.16376	2.6
247.17059	4.5
248.17339	2.6
249.16376	2.2
251.17920	2.3
253.15707	1.8
265.19406	1.9
283.20584	3.7
287.20105	5.7
299.20016	4.5
300.20798	2.3
301.21643	3.2
313.21564	3.2
340.23843	2.1
352.24042	2.7
353.24377	2.8
367.26392	6.3
375.26779	2.4
393.27682	3.0
440.29242	2.4
441.29694	4.8
491.35104	10.4
509.36066	4.0
521.35803	7.4
583.41156	10.0
586.39026	2.1
601.42542	37.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.352
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07064	1.6
59.07869	0.6
59.87695	0.6
67.05498	3.6
69.07069	1.7
69.56856	5.1
79.05497	5.7
81.07052	100.0
82.07378	2.1
91.05478	1.5
93.07060	2.5
95.04980	1.1
95.08601	12.3
103.05447	0.7
107.04955	2.8
107.08593	2.9
109.10125	0.8
113.17738	0.6
117.06996	1.4
119.04926	1.9
119.08622	0.8
121.10146	1.2
123.04443	1.7
129.40521	0.7
133.10112	1.2
135.11703	2.4
136.11998	1.7
137.13248	48.3
138.13618	1.6
144.05673	0.8
145.06506	4.9
147.04404	16.5
147.08040	0.7
148.04808	0.8
149.06055	0.7
165.05496	7.0
189.05458	1.5
191.08661	1.0
209.09616	0.7
211.82455	0.7
219.08038	3.7
221.15366	1.4
233.20909	0.6
237.09090	18.8
237.11346	1.0
239.10632	1.0
265.08597	1.4
283.09628	18.5
283.12643	1.2
311.09210	4.4
329.10193	25.4
389.93167	0.6
601.42340	1.8
609.13104	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.3517
Annotation	Nocardamine
Peak:m/z	Relative Intensity
53.03938	0.4
55.32307	0.4
57.07069	1.0
65.03941	0.5
67.05494	4.1
69.07073	1.1
70.71854	1.4
71.08601	0.4
79.05495	4.7
81.07052	100.0
82.07399	1.1
91.05476	5.0
92.65419	0.4
95.04945	1.0
95.08604	12.2
99.00810	2.4
107.04958	1.9
109.10139	0.5
117.01844	2.7
119.04942	12.8
119.05782	0.8
121.02878	0.4
137.13248	46.4
138.13646	1.1
147.04439	0.7
167.08551	1.0
177.06993	0.8
195.08089	1.1
213.09093	47.3
214.09390	0.5
270.59711	0.5
311.09268	1.7
316.09042	0.5
329.10272	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	601.3521
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.6
55.05507	0.3
57.07065	1.1
62.06561	0.2
65.03922	0.5
67.05500	3.9
67.55263	0.2
69.07066	1.0
69.95573	1.3
71.08627	0.4
76.06478	0.2
79.05488	5.5
81.07054	100.0
82.07403	1.2
83.45092	0.2
91.05485	1.0
93.07037	1.1
95.04983	0.6
95.08601	14.3
98.20844	0.3
103.05478	0.6
105.07019	0.6
107.04959	0.6
107.08613	0.7
109.10155	0.8
116.21484	0.2
117.07026	3.7
119.04930	1.2
119.08611	0.3
121.02861	3.2
121.06506	0.6
121.10120	0.3
123.04427	0.8
129.06923	0.3
133.06488	1.0
135.11665	0.7
136.12010	0.4
137.13251	38.6
138.13600	0.7
145.06474	4.4
147.04404	8.6
155.06012	0.4
161.06009	0.7
165.05475	2.5
171.04405	2.1
173.05963	0.5
189.05424	1.3
191.07042	0.4
197.05974	0.4
199.03958	0.8
213.09187	0.3
217.04970	4.9
219.08028	0.7
235.06001	24.4
236.06342	0.3
237.09050	0.8
247.07520	2.1
251.06921	0.6
265.08569	2.0
280.73883	0.2
283.09344	0.3
293.07983	0.5
311.09134	14.7
312.09372	0.4
329.10175	14.0
447.21674	6.5
465.21771	0.3
599.27203	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20340	0.8
51.74220	0.8
53.03931	0.9
55.01897	1.1
56.05042	0.9
56.08158	0.7
57.03430	3.8
57.05815	1.0
59.37135	0.8
61.02922	1.2
61.23697	0.8
65.03946	0.8
67.05508	1.9
68.05030	1.3
69.03422	9.2
70.06243	0.8
70.06592	4.7
71.04971	1.9
71.61576	1.3
73.02912	7.1
79.05505	0.8
80.05022	1.6
81.03425	2.5
81.05798	1.2
82.06558	1.2
83.04972	0.9
84.04511	3.6
84.08101	0.8
85.02407	1.1
85.02895	8.6
86.09705	1.1
87.04453	1.0
91.05469	1.7
92.94279	0.8
93.07052	1.4
94.06567	24.0
95.04958	1.1
95.07351	5.6
96.08130	16.5
97.02882	9.0
97.07652	5.1
98.06041	1.8
99.04437	0.9
107.04949	12.4
108.08117	1.9
109.02917	2.0
110.06076	1.3
112.07604	1.7
114.05576	1.3
115.03934	3.4
121.02872	1.6
121.06491	1.5
122.06010	4.5
123.04414	1.4
123.06800	18.4
124.07621	0.9
125.08346	1.5
127.03927	3.0
133.06551	1.0
135.04451	1.2
136.07576	12.8
137.05980	1.7
137.08334	0.9
138.05487	1.3
138.09169	0.9
139.03900	1.0
140.07057	100.0
140.52069	0.7
141.07552	1.2
145.04936	1.7
145.06398	1.7
147.04385	1.1
149.05980	1.3
149.08443	1.1
158.57295	0.8
159.08092	1.6
163.03920	3.3
167.07095	1.0
181.49004	0.9
183.07907	1.1
186.09174	1.8
214.12241	1.9
215.13068	1.9
221.31133	0.9
242.11777	2.5
243.12543	3.7
244.13275	0.9
256.13339	1.2
284.11664	1.0
289.11826	76.6
290.12027	1.4
296.68875	1.0
307.12878	30.2
331.12891	4.8
347.03998	0.8
403.14783	1.3
421.15982	2.7
425.19083	1.1
433.16055	2.4
449.10461	1.1
451.17099	48.8
452.17416	1.8
547.19287	4.9
557.23328	1.5
565.20105	5.0
583.21362	9.7
601.22284	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.295
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01842	0.7
55.05510	3.1
57.07067	0.6
58.99583	1.0
65.03957	0.8
67.05504	11.5
69.07077	3.8
69.27290	0.5
71.59518	0.7
73.01131	0.6
74.00652	2.1
75.45943	0.6
76.02213	1.8
79.05496	9.3
80.05013	1.1
81.07045	7.7
83.04968	0.9
83.06104	1.1
83.08607	1.2
84.04506	4.9
84.08133	0.7
85.02912	0.7
86.00638	1.4
91.05484	5.2
93.07042	10.0
94.06575	1.2
95.04973	2.1
95.08603	6.4
97.01099	1.4
97.06554	1.0
97.10168	0.8
99.01420	0.9
100.02215	1.2
105.07032	5.9
107.04948	1.8
107.08574	7.0
109.06509	0.8
109.10145	3.8
111.02644	0.9
112.02175	3.1
113.00567	0.8
113.02901	0.7
114.03766	2.9
116.01662	3.5
117.07002	1.9
119.08582	4.0
121.06499	0.7
121.10166	4.2
123.02656	0.8
123.11687	0.7
126.03763	1.4
129.06561	1.1
130.04985	1.7
131.08580	2.6
133.10135	4.1
134.09639	0.8
135.08052	0.9
135.11673	3.3
137.05969	1.4
137.09570	1.1
139.11157	1.6
140.05299	1.2
141.07060	0.6
143.02798	0.9
144.01131	1.2
145.10123	2.0
147.04408	1.2
147.11691	1.6
149.09608	0.8
157.10121	0.9
159.11667	1.6
162.02182	1.6
162.12804	1.0
167.07037	3.3
168.07233	0.9
168.08481	1.6
171.11583	0.8
179.04980	0.7
185.03897	1.5
190.03578	0.6
196.11591	3.9
198.12839	0.6
203.12767	1.2
215.04887	1.8
216.05656	1.7
224.11050	14.3
225.09447	1.0
231.04393	2.2
241.11188	0.7
242.12068	22.6
270.10382	0.9
275.20053	3.2
282.15390	2.8
293.21030	1.0
299.14453	0.7
308.09201	0.7
333.18808	1.5
344.13986	6.6
345.14694	0.8
350.21487	10.0
368.22614	8.5
384.17285	0.9
453.24176	100.0
454.24536	4.0
525.26263	5.6
582.28314	1.2
600.29779	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	599.4093
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91233	0.5
53.03933	1.4
55.01855	0.7
55.05508	3.2
57.07075	5.9
59.04973	2.2
61.47398	0.5
65.03918	1.2
67.05499	5.5
69.03431	7.2
69.07075	2.6
69.07365	0.5
69.55003	2.5
69.55429	1.8
79.05495	8.1
81.03379	0.8
81.07056	16.4
83.04977	2.6
83.08566	1.3
84.91146	0.8
85.06546	3.2
91.05478	12.7
93.07041	20.9
94.07367	0.8
95.04965	6.2
95.08607	11.9
97.02888	0.5
97.06495	2.2
103.05428	0.8
105.04512	0.7
105.07032	19.3
107.04904	0.6
107.07875	0.9
107.08591	16.5
109.06515	5.5
109.10139	3.4
111.08058	1.1
115.05386	1.2
117.07011	4.7
119.04900	1.9
119.08580	22.9
121.06502	4.1
121.10143	13.8
122.07294	0.7
123.08067	9.9
123.11658	1.1
125.05949	2.2
127.11787	0.6
128.06190	2.0
129.06992	3.6
130.07712	1.6
131.08565	10.3
133.06465	1.9
133.09129	0.7
133.10124	12.0
135.07114	0.7
135.08055	9.7
135.11687	10.1
136.12038	0.9
137.05962	1.0
137.08665	0.8
137.09619	12.2
137.13202	2.8
139.07516	1.6
141.06973	1.4
142.06914	0.6
142.07791	5.7
143.08565	8.2
144.09331	1.7
145.06400	0.7
145.09036	1.0
145.10117	14.0
147.04399	6.0
147.08049	22.6
147.11668	3.1
149.09612	2.8
151.07538	9.2
151.11168	0.6
153.06970	0.7
155.08548	5.6
156.09332	5.4
157.10118	16.3
158.10909	1.1
159.08022	2.4
159.10445	0.7
159.11696	8.8
160.12450	0.8
161.09621	5.3
161.13251	5.9
163.11200	6.9
165.09114	46.9
167.08519	2.4
168.09332	1.6
169.10124	8.4
170.10915	2.7
171.08038	0.8
171.11694	8.8
171.43947	0.6
173.09587	3.8
173.13264	3.4
174.90123	0.6
175.11180	1.9
175.14774	2.1
177.09085	1.5
177.12778	1.1
179.08524	1.5
180.09335	1.3
181.10352	2.8
181.12219	6.6
182.10904	1.6
183.11691	11.0
185.09674	1.0
185.13249	5.9
187.11139	2.5
187.14844	1.9
189.12732	3.6
191.10651	3.3
191.14339	1.5
193.10095	2.0
193.12215	1.2
194.10823	1.0
195.11681	4.0
195.13562	1.1
196.12474	2.1
197.09575	0.7
197.13245	4.9
199.11162	2.2
199.14824	0.8
201.12762	1.5
203.14326	15.0
206.10936	0.6
207.11694	2.1
207.13771	5.4
208.12428	0.9
209.09537	0.8
209.13231	4.6
209.15207	0.8
210.10373	0.7
211.11209	1.6
211.14771	5.7
212.11922	0.6
213.12744	2.4
215.14297	1.5
219.11749	0.9
221.15358	100.0
223.14815	1.7
225.12756	1.5
225.16275	1.0
227.14279	1.6
229.12242	1.3
229.15871	2.0
231.13840	1.8
232.12405	0.7
233.13206	1.4
233.15399	1.7
235.14781	1.8
235.16893	0.7
237.12743	0.6
237.16393	1.2
239.14256	1.3
243.13741	0.6
245.13203	1.1
247.14542	1.4
247.16934	16.0
249.16406	0.9
251.14365	1.0
251.17978	0.8
253.15961	0.9
255.13654	0.6
261.18567	1.4
265.15955	0.7
267.17313	0.9
269.19022	0.8
271.17108	0.8
275.17914	0.8
281.18967	3.1
285.18567	1.3
286.19312	1.2
287.20093	6.2
289.19415	0.9
291.17532	1.1
293.19016	0.7
299.16949	0.8
299.20093	6.1
301.21524	1.9
303.20078	1.0
307.20520	1.1
311.20062	2.0
313.21625	2.5
323.20041	0.8
325.21515	2.3
327.23291	2.7
335.19943	1.2
364.24237	0.6
365.24805	4.2
391.26245	9.1
413.27032	1.3
419.29620	3.1
427.28333	6.7
453.30090	1.4
507.34756	7.2
519.34772	2.4
525.33264	0.8
539.29047	0.7
543.34454	1.0
581.40045	2.9
599.40942	81.6
600.41571	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.4093
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.6
55.01872	1.0
55.05516	5.3
57.07062	4.6
59.05003	1.8
65.03936	1.8
67.05504	10.4
69.03425	6.8
69.07067	4.1
69.90700	2.3
69.91113	4.3
79.05495	10.1
81.07052	12.8
83.04978	6.2
83.08614	3.3
85.06544	2.6
87.04459	1.6
91.05483	17.7
93.07038	21.0
95.04962	9.1
95.08601	9.2
96.78454	0.9
97.06536	3.8
103.05486	2.4
105.07029	29.4
107.04927	1.4
107.08591	27.4
109.06529	8.8
109.10159	6.3
111.08067	2.1
111.11713	1.1
113.09654	0.8
115.05450	2.7
116.06235	1.1
117.07006	5.6
119.08573	25.0
121.06509	6.3
121.10143	22.9
123.08082	8.6
123.11752	2.1
125.06023	1.7
125.09619	3.6
128.06221	6.0
129.07001	6.8
130.07790	2.6
131.08560	13.8
131.34941	0.9
133.06514	3.2
133.10144	13.5
135.06213	0.9
135.08075	8.4
135.11693	7.7
137.09601	5.1
137.13263	1.3
139.07518	1.1
139.11197	1.0
141.07024	3.6
142.07787	8.6
143.08571	17.8
144.09341	5.8
145.06537	1.7
145.10115	18.6
147.08022	11.4
147.11720	6.0
149.09637	10.1
151.07552	9.0
151.11168	1.3
153.06938	1.2
153.09123	1.6
154.07770	1.5
155.08553	6.0
156.09335	5.9
157.10127	19.5
158.10916	2.6
159.08078	7.1
159.11700	11.9
160.08792	1.9
161.09622	6.1
161.13272	3.5
161.93858	1.1
163.03917	2.5
163.11215	6.2
165.06990	2.8
165.09109	14.9
167.08566	4.1
167.10660	9.5
168.09404	2.9
169.10114	11.2
170.10939	3.1
171.08080	1.2
171.11688	13.5
173.09624	3.7
173.13239	6.5
175.11176	5.2
175.14839	1.9
177.09196	1.5
177.12805	1.4
179.08563	2.6
180.09418	2.2
181.10155	5.4
181.12271	3.3
182.10924	3.6
183.08044	1.3
183.11671	10.9
184.12422	2.1
185.09698	3.1
185.13274	5.7
187.11217	4.8
187.14845	1.5
189.12766	5.6
191.14326	3.1
193.10155	5.0
193.12071	1.6
194.10919	3.0
195.11679	8.4
195.13568	1.1
196.12489	2.2
197.09596	1.1
197.13281	9.3
199.11206	3.4
199.14816	3.8
201.12801	2.5
203.14354	4.8
206.10988	2.4
207.11696	7.0
207.13841	7.4
208.12517	2.3
209.09491	1.2
209.13289	9.1
209.15469	2.6
211.11179	3.1
211.14865	4.4
213.12752	1.4
213.16412	1.4
215.14392	1.8
219.11769	1.9
220.12453	2.0
221.13260	5.5
221.15302	26.9
223.11223	1.4
223.14862	5.2
225.12827	3.0
225.16466	2.4
227.14304	1.4
227.17892	1.1
229.12291	1.4
231.11668	1.5
232.12485	1.2
233.13214	3.1
233.15343	23.3
235.14922	2.3
237.12718	1.6
237.14648	1.6
237.16658	1.4
239.14314	1.1
243.11736	1.6
243.14000	1.1
245.13319	1.9
246.14079	1.5
247.14813	4.2
247.17030	2.8
248.15401	1.1
249.16454	2.5
251.18027	1.4
253.15921	1.4
257.04532	1.8
259.14713	2.5
261.16388	1.4
263.17966	1.3
269.19058	1.7
273.18704	1.9
281.18912	7.0
281.32425	0.9
286.19318	1.9
287.20325	2.1
289.16190	1.2
289.19516	1.3
291.17618	1.1
299.20166	4.1
311.20383	1.5
312.21066	1.1
341.22577	1.2
347.23871	1.1
364.24048	1.6
365.24908	2.8
373.25522	1.3
377.24548	1.5
391.26511	2.8
441.30261	1.7
489.33511	2.5
493.33081	1.6
507.34720	65.9
508.35229	2.0
581.40021	3.6
597.53735	1.1
599.40924	100.0
600.41040	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	599.3365
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.9
55.01889	0.3
55.05509	1.0
57.07072	1.2
65.03940	0.7
67.05502	4.1
69.07065	2.4
69.85829	1.6
79.05487	10.4
81.07051	100.0
82.07407	0.8
82.28857	0.3
91.05477	6.3
93.07038	15.0
94.07347	0.3
95.04922	1.4
95.08601	13.7
99.00822	0.7
105.06998	1.3
107.04945	0.8
107.08588	37.2
108.08922	0.4
109.06512	0.9
109.10167	0.8
117.01854	0.4
119.04942	8.1
120.05688	0.4
135.11682	60.6
136.12025	1.2
137.13245	46.2
138.13596	0.7
140.09848	0.3
147.04381	0.5
150.21687	0.3
153.12772	0.6
167.08578	0.4
195.08081	0.4
201.79355	0.3
206.47044	0.3
213.09093	20.6
214.09412	0.5
233.11693	1.1
237.09138	0.4
251.12753	0.8
287.18719	0.3
311.09036	0.6
329.10205	1.2
387.25009	0.4
463.21423	1.3
508.47189	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.3365
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69952	0.3
53.03952	1.1
55.05508	0.8
57.07074	1.1
65.03935	0.7
67.05502	4.2
69.07074	1.6
70.09722	1.4
71.08610	0.3
73.28643	0.3
79.05492	10.0
80.05569	0.3
81.07056	100.0
82.07391	0.5
91.04906	0.3
91.05476	7.0
93.07043	11.4
95.04975	1.3
95.08606	12.8
97.04615	0.3
99.00805	0.8
105.04506	0.4
105.07037	1.6
107.04964	1.1
107.08592	35.9
109.06538	1.2
109.10162	0.9
116.85952	0.3
117.01907	0.4
119.04943	7.1
135.11691	50.1
135.56345	0.3
136.12013	0.9
137.13252	40.4
153.12805	0.5
167.08566	0.3
195.08078	0.6
205.12206	0.5
213.09106	18.7
214.09569	0.3
224.55852	0.3
233.11763	1.0
233.15450	0.3
244.08240	0.3
251.12778	0.4
311.09067	0.6
329.09915	1.1
463.20999	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.3366
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	0.3
53.03944	0.9
55.05518	0.9
57.07078	0.8
63.62101	0.3
65.03954	0.6
66.59332	0.3
67.05505	3.5
69.07069	1.5
69.53696	1.9
79.05494	10.0
79.05967	0.5
80.87910	0.2
81.07056	100.0
82.07381	0.3
90.48848	0.3
91.05474	5.6
91.50739	0.3
93.07043	20.4
95.04984	1.8
95.08605	10.8
105.04538	0.3
105.07040	2.0
107.04957	0.7
107.08594	42.2
108.08827	0.4
109.06518	0.8
109.10183	0.8
119.04944	2.4
119.05736	0.3
119.05990	0.3
135.11690	63.4
136.12012	0.3
137.13254	55.0
138.13580	0.8
145.06497	0.4
147.04401	2.5
153.12770	0.5
183.96918	0.2
213.09120	4.5
233.11728	0.4
237.09187	0.4
251.12805	0.6
283.09564	1.0
299.16315	0.4
311.09152	0.8
316.03943	0.3
329.10229	0.3
377.63974	0.3
387.25388	2.3
463.20792	0.4
599.33563	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.3363
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.1
55.05506	0.6
55.80812	0.4
57.07070	1.3
65.03938	0.8
65.68525	0.4
67.05503	4.4
69.07062	1.7
71.04971	0.4
71.30941	1.0
79.05489	8.2
81.07052	100.0
82.07391	0.8
91.05481	8.2
93.07037	15.7
95.04968	1.6
95.08601	12.7
99.00821	1.1
102.94337	0.5
105.07037	0.9
106.21051	0.4
107.04921	1.1
107.08588	41.5
109.06522	1.1
109.10153	1.1
117.01855	1.0
119.04944	11.2
119.05785	0.8
120.05746	0.5
126.71382	0.4
135.11684	47.2
137.13246	43.5
137.24121	0.4
138.68782	0.4
147.04437	1.2
151.17766	0.4
153.12738	6.2
167.08627	0.6
195.08052	0.4
213.09096	22.6
214.09404	0.6
299.16428	0.6
301.31549	0.4
311.08844	0.5
329.10117	0.5
381.45746	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.3364
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85988	0.3
51.97457	0.3
52.35249	0.3
53.03939	0.9
55.05509	0.7
57.07075	0.9
60.76899	0.3
65.03944	0.8
67.05505	3.5
69.07060	1.2
71.31032	0.5
79.05489	7.7
79.64639	0.3
81.07056	100.0
82.07375	0.4
91.05478	6.0
93.07047	13.9
95.04966	1.1
95.08603	12.4
99.00832	1.0
105.07029	1.3
105.70078	0.3
107.04948	1.3
107.08591	33.4
109.06518	0.8
109.10159	1.1
112.70635	0.3
117.01847	0.9
119.04935	8.7
120.05745	0.5
135.11690	43.9
136.12085	0.3
137.13252	54.1
145.06505	0.3
147.04381	1.7
153.12732	6.4
165.06879	0.3
177.06969	0.4
195.08020	0.5
213.09100	24.6
219.19662	0.3
237.09251	0.4
239.27400	0.4
299.16321	0.4
311.09100	0.7
329.10034	1.0
378.91187	0.3
387.25238	0.7
493.31168	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.2486
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30173	0.2
53.03929	0.4
55.01862	0.2
55.76007	0.2
57.09590	0.2
59.11779	0.2
65.03931	0.2
67.05490	0.3
69.68635	1.5
75.90842	0.2
76.04040	0.2
78.04722	1.6
79.05491	1.5
81.03425	0.2
81.07030	0.3
81.61226	0.2
85.02846	0.3
90.86923	0.2
91.05469	1.2
93.07039	0.5
95.04977	1.0
103.05460	0.7
105.03424	0.3
105.07038	0.9
106.04168	0.7
107.04957	3.1
109.02847	0.2
109.06508	0.3
115.05473	0.6
117.06982	0.2
119.04937	0.4
121.02821	0.3
121.06522	0.9
121.21552	0.2
122.03607	0.3
123.04429	4.5
124.05217	1.7
125.06010	0.2
131.04906	0.8
132.05685	0.2
133.06490	0.7
134.56122	0.2
135.04424	1.0
137.05956	1.3
140.04683	0.2
143.04927	0.4
145.06451	0.3
147.04396	0.7
147.08063	0.4
148.05194	0.3
149.05978	0.9
151.03954	1.1
151.07526	0.3
152.04674	1.7
153.05559	0.2
160.05148	0.3
161.05998	1.3
163.03900	0.3
163.07549	0.4
165.05487	0.2
166.06335	0.2
167.07037	100.0
168.07339	1.0
175.07542	1.5
176.04820	0.3
178.07845	0.4
179.07034	0.9
179.08501	0.2
181.04988	0.3
181.06592	0.2
181.06924	0.3
181.08560	2.0
187.07570	0.7
189.05270	0.2
189.06985	0.2
189.09085	0.2
191.07037	2.0
191.08615	0.3
192.07829	0.5
193.08611	3.8
194.07278	0.3
199.07491	0.2
202.07774	0.4
203.08511	0.2
205.06500	0.2
206.07295	0.6
207.08092	0.4
208.08727	0.2
211.09651	6.7
219.08072	0.3
221.09618	0.7
222.06862	0.2
223.07506	0.4
231.08180	0.3
234.06845	0.6
235.07547	0.4
237.09120	0.6
247.07596	0.3
248.08385	0.4
249.09192	1.2
251.07024	0.5
252.07802	0.6
261.09021	0.4
263.06989	0.4
264.07712	0.3
265.08432	0.6
266.09344	0.2
267.10202	0.4
269.11728	0.2
277.05698	0.2
277.08417	1.1
278.09415	0.4
279.10239	0.2
280.07336	0.4
281.08438	0.3
281.11783	0.8
282.08493	0.2
283.09628	0.2
293.08182	0.3
293.11594	0.2
294.09027	0.5
295.09671	1.4
297.11276	0.3
306.59711	0.2
309.11224	2.6
310.11676	0.4
321.11087	0.7
325.10724	0.6
327.12241	0.9
329.13861	2.9
339.12213	0.4
340.13080	0.7
341.13803	4.1
353.13843	1.4
359.14948	0.6
367.15604	0.4
371.14871	4.4
383.27710	0.2
473.83023	0.2
521.21454	0.3
599.22003	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.1968
Annotation	Catechin 3-O-rutinoside
Peak:m/z	Relative Intensity
51.02377	0.8
52.02352	0.6
52.25634	0.5
53.03931	1.2
55.01859	2.2
55.05505	1.1
57.03429	8.7
61.02919	1.4
64.57438	0.5
65.03924	1.1
67.05486	1.2
68.99787	1.0
69.03426	9.2
69.75089	0.5
70.65228	1.2
70.65583	1.1
71.01336	0.6
71.04990	44.4
73.02905	1.4
75.04472	2.1
81.03400	2.0
83.04982	3.6
85.02901	63.4
87.04466	1.6
91.05473	1.2
93.03381	1.6
95.04969	2.7
97.02879	4.3
99.04456	1.8
103.03919	0.8
107.04939	2.9
109.02880	1.9
109.57157	0.6
111.04432	6.4
115.03957	0.5
119.04921	4.0
121.02914	0.8
121.06517	1.4
123.04420	76.3
127.03915	2.9
129.05475	12.7
131.04912	0.7
133.06471	1.1
135.04407	10.2
137.02405	0.5
137.05978	1.6
139.03893	100.0
140.04211	1.2
145.04926	1.6
147.03229	1.2
147.04402	20.4
147.06400	4.5
149.05962	2.2
151.03899	11.0
153.05498	1.0
161.05959	4.2
163.03893	31.6
165.05473	14.2
169.04929	1.5
175.03911	2.0
175.07567	0.6
177.05458	7.7
179.03404	1.0
179.07016	1.5
181.04942	19.2
181.06519	1.1
187.03923	1.3
189.05455	5.0
191.03360	0.5
193.04950	3.0
203.07008	3.3
205.04939	19.7
205.18788	0.6
207.06499	4.3
208.48428	0.6
213.05539	1.0
217.04919	2.2
229.05066	1.3
231.06529	12.3
235.06007	1.6
237.02945	0.7
243.06450	1.1
247.06030	3.1
249.07587	11.8
261.07599	1.1
265.07129	1.0
267.08636	13.3
273.07529	6.4
279.08789	1.0
283.08163	5.1
285.06836	1.3
285.09738	22.2
285.12921	1.0
291.08615	35.7
297.07465	1.5
301.09268	6.6
303.08560	1.3
315.08633	8.7
325.09052	1.0
333.09647	4.5
339.08633	1.8
345.09851	0.9
357.09695	7.0
381.09732	0.8
383.11215	4.6
393.11676	1.5
399.10413	0.9
401.12222	4.6
411.12698	1.6
417.12112	0.9
419.13385	4.4
429.13889	0.6
435.12946	0.9
437.14435	2.5
447.14975	1.3
453.13684	1.2
472.74203	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.2
54.55995	0.7
55.01874	0.9
63.43233	0.8
69.03419	3.2
70.01034	3.0
79.05494	1.1
81.03406	4.4
83.04993	1.0
83.17309	0.8
85.02904	4.0
91.05450	0.9
91.39799	0.7
95.04960	1.9
97.02866	1.5
98.21413	1.4
99.04472	1.2
100.11288	1.0
107.04952	100.0
108.05286	0.8
109.02869	1.1
119.04937	1.7
120.30805	0.8
121.02863	3.9
127.03930	2.1
129.06956	0.7
135.04405	1.6
137.05954	1.1
147.04379	4.7
149.05940	1.7
151.03902	2.0
161.06015	1.7
163.03870	6.3
173.05948	1.1
175.03952	3.0
177.05495	2.2
181.04974	2.0
185.05949	0.9
187.03966	1.8
187.05852	0.8
189.05518	1.3
191.03529	1.1
191.08549	1.1
193.04965	3.3
197.05927	0.9
201.05489	1.1
205.04865	5.5
207.06511	1.0
210.14861	1.5
211.09578	1.6
213.05486	1.0
217.04916	5.6
219.06316	1.5
219.08115	1.3
221.04398	1.6
223.05977	1.8
226.80295	0.8
229.04977	2.8
231.06648	1.9
235.06093	3.3
241.04973	1.6
243.06613	1.9
247.06001	5.4
251.10667	1.5
252.11021	0.8
255.06441	1.3
259.06033	7.4
265.08893	0.9
268.13293	0.9
269.13647	1.0
271.05991	4.0
273.07693	1.5
275.09222	2.4
277.07150	2.5
283.06064	2.1
285.07599	1.5
287.05499	2.2
287.08929	1.1
289.06531	3.7
290.06351	1.2
291.08875	1.5
298.54745	0.8
299.09018	1.7
301.07034	4.4
311.09018	2.1
313.07065	2.9
317.10254	1.4
323.09073	0.8
325.07230	2.0
327.08847	1.3
329.10214	2.9
341.10156	4.5
343.08063	1.2
353.10193	6.2
355.08075	1.0
359.10965	1.1
365.10071	5.2
377.10129	1.9
383.11292	5.9
385.09253	0.8
387.09183	3.5
389.10187	2.1
395.11237	8.9
407.11224	8.9
413.12302	3.4
419.11255	5.6
425.12344	4.9
431.13492	11.6
437.12451	1.2
443.13452	4.3
449.12299	6.0
461.13666	4.1
467.13397	3.0
479.13486	4.0
485.14764	4.3
491.13742	1.6
497.14420	5.6
509.14386	3.7
527.15631	2.7
545.16528	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	598.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	1.0
54.32627	0.7
54.84979	0.7
60.09719	0.7
61.02915	1.2
65.03945	0.8
69.03417	3.3
69.86655	3.5
79.05486	3.6
81.03418	14.0
85.02902	11.1
91.05459	1.6
95.04959	2.6
96.35882	0.9
97.02882	2.7
100.05714	0.8
103.05449	2.2
105.07006	2.3
107.04951	8.8
115.05453	5.4
117.07016	14.6
118.04121	0.8
121.06493	0.9
123.04402	3.4
124.05178	1.3
125.05992	0.9
127.03904	2.6
129.06999	2.4
130.04118	0.9
131.04918	1.1
131.08562	2.4
133.06465	2.3
137.05971	1.9
138.05476	1.0
140.04720	0.9
141.06960	2.1
144.05672	1.8
145.05182	1.3
145.06477	37.2
146.06729	1.1
147.04420	1.2
147.08054	1.7
152.04678	1.7
153.05447	1.3
155.05989	2.9
155.07085	1.4
156.05707	5.7
157.06531	1.7
159.08032	5.6
161.05957	6.1
162.07579	2.0
163.03932	0.9
167.07039	56.2
168.07321	1.5
172.05194	1.8
173.05980	55.3
174.06291	1.2
175.07588	1.7
180.08653	5.5
181.05045	3.7
183.06464	1.3
184.05243	1.1
187.07549	7.1
190.06253	31.3
190.08003	1.5
191.06955	3.2
193.08592	3.0
202.06247	2.6
203.07010	6.1
205.08597	100.0
206.09018	1.8
207.06493	1.3
207.10185	1.2
216.54718	0.8
217.08594	39.5
218.05731	1.0
219.08206	1.2
219.10175	5.3
223.09668	3.9
231.08035	1.3
233.08025	5.1
234.08472	5.0
235.09654	33.0
247.07521	1.9
247.09668	7.1
248.08340	1.2
262.09918	0.9
265.10712	37.4
271.09567	1.3
276.07837	1.2
279.10239	1.8
291.10107	1.6
293.08011	1.1
307.09741	0.9
315.08572	3.4
323.12723	1.4
330.10791	5.8
331.11740	3.0
339.12274	2.2
348.18509	0.9
351.12393	4.3
368.12692	0.9
371.14862	2.9
383.14911	11.0
401.15964	13.9
417.15204	1.0
418.15869	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	599.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.8
55.01866	1.2
57.03416	0.6
61.02935	0.3
69.03431	0.4
71.08447	0.6
73.02865	0.3
77.34451	0.2
79.05481	1.2
81.03397	0.9
85.02899	2.8
91.05520	0.4
92.66892	0.3
93.03410	0.4
95.01315	0.5
95.04977	1.8
97.02894	0.6
99.32109	0.3
101.27372	0.2
103.03939	0.6
105.03401	0.3
107.04951	100.0
108.05301	0.7
109.02871	0.7
117.07040	0.4
119.04963	0.4
121.02850	1.6
121.06493	0.6
123.04460	0.4
127.03957	0.4
129.06969	0.3
131.04959	1.3
131.86348	0.3
133.06441	0.3
135.04445	0.5
139.03903	0.7
142.90144	0.3
145.06480	0.4
147.04385	1.4
148.32672	0.2
149.05983	1.2
151.03860	1.2
157.06448	0.5
159.04425	0.8
161.05998	0.6
163.03911	1.8
165.05510	0.3
165.06918	0.3
169.06435	0.3
171.04446	0.7
173.05977	1.1
175.03906	2.8
175.07558	0.3
177.05475	1.4
181.05003	2.1
181.06401	0.5
185.06000	0.6
187.03821	1.6
189.05435	1.6
191.03421	0.6
191.08554	0.8
192.08900	0.5
193.04958	3.4
197.06076	0.3
199.03955	0.5
200.04913	0.3
201.05452	1.8
203.03424	0.6
203.07089	0.5
205.04951	4.6
207.06506	0.5
211.05959	0.3
213.05466	1.2
215.03482	0.3
215.07054	0.3
217.04936	4.6
219.02917	0.7
219.06378	1.5
219.08342	0.5
220.08421	0.4
221.02522	0.3
221.04343	1.6
223.05959	1.5
225.05463	0.6
227.06903	0.6
229.04903	1.9
231.03017	0.5
231.06445	1.7
233.04451	0.7
235.05936	3.5
241.04926	2.0
243.06567	1.2
245.08087	0.4
247.06039	5.1
247.08450	0.4
249.07361	0.4
251.10739	0.6
252.10988	0.6
253.05025	0.9
255.06601	0.9
257.04700	0.5
257.08148	0.5
259.06009	7.0
267.06580	0.7
268.13342	0.9
269.08063	0.4
269.13834	0.4
271.06000	3.1
273.07581	1.1
277.06982	2.7
279.06525	0.6
281.08124	0.5
283.05984	2.1
285.07483	1.2
287.05560	0.3
287.09183	0.9
289.07013	2.8
295.06033	0.5
297.07693	1.2
299.09180	1.9
301.07047	3.5
303.04950	0.4
305.94061	0.3
311.06070	0.4
311.09091	1.7
313.06979	2.8
315.08618	0.5
317.06967	0.3
317.10181	1.2
319.08438	0.5
323.09070	0.6
325.07047	2.3
327.08792	0.8
329.10220	4.0
335.09143	0.4
337.07068	0.4
341.10275	4.6
343.08191	1.0
353.10168	6.4
355.08380	0.7
359.11194	0.9
361.09418	0.5
365.10217	4.4
367.08054	0.3
377.10110	2.2
383.11246	7.5
383.16208	0.4
385.09766	0.4
389.10199	1.2
393.09552	0.7
395.11227	7.9
407.11243	7.5
413.12390	2.9
419.11145	5.2
425.12347	4.9
429.12018	0.3
431.13464	12.1
437.12357	0.9
443.13437	3.9
449.12299	6.7
461.13565	4.8
467.13480	4.7
473.12445	1.3
479.13391	3.9
485.14505	4.3
491.13339	2.5
497.14401	6.9
509.14447	3.3
527.15363	3.2
545.16394	2.3
563.17578	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.1
57.03425	1.1
61.02905	2.3
69.03421	4.4
69.93436	5.4
79.05480	3.0
81.03408	16.4
85.02892	10.9
91.05476	2.8
95.04950	3.4
96.82732	1.0
97.02879	2.4
99.04434	1.4
103.05453	1.8
105.07033	1.5
107.04953	9.5
109.02859	1.4
115.05439	6.2
117.07004	14.7
122.03751	1.1
123.04424	3.7
124.05222	2.3
127.03905	3.5
128.06178	1.2
129.06969	2.6
131.04910	1.4
131.08562	3.8
133.06468	2.6
137.05995	1.5
141.07021	1.7
144.04575	1.1
144.05649	2.5
145.04929	2.5
145.05119	1.8
145.06477	33.2
147.04326	1.3
152.04663	2.3
155.06035	3.2
155.07152	1.4
156.05682	6.8
157.06503	2.2
159.08026	6.7
161.05981	4.6
162.07660	1.3
163.03873	1.4
167.07024	51.8
168.07423	4.2
172.05153	1.8
173.05971	61.0
175.07562	2.2
176.07910	1.0
177.05530	1.6
180.08716	3.7
181.04993	3.8
182.05319	3.2
184.05193	1.6
187.07510	6.7
190.06224	35.4
191.06984	3.3
193.08562	2.5
195.06570	1.3
200.04572	1.0
202.06213	6.0
203.07002	5.7
204.07642	1.1
205.08589	100.0
206.08981	1.9
207.06459	1.3
215.06993	1.7
217.08569	41.4
219.08122	2.0
219.10190	4.6
223.09604	2.4
233.08047	11.8
234.08412	8.4
235.09641	30.3
247.07622	1.7
247.09651	6.5
263.08951	2.1
264.09631	2.4
265.10721	35.9
269.07977	1.2
276.07590	1.3
278.14392	1.1
279.10199	1.3
282.08633	1.4
284.47833	1.0
291.10080	1.8
307.09641	1.4
308.10550	1.4
311.12582	1.1
315.08575	3.3
323.12845	2.2
330.10983	4.8
331.11743	1.7
339.12292	1.5
351.12286	3.4
353.09985	1.4
371.14828	2.1
383.14899	11.9
401.16104	13.6
417.15366	2.2
418.15692	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	597.3217
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.9
55.05515	2.1
56.96554	0.7
57.03429	0.5
57.07078	0.8
58.06582	0.4
60.08159	0.4
65.03939	1.7
67.05505	5.6
69.07063	3.0
69.09483	0.3
71.07418	0.3
71.59739	0.5
77.03905	0.7
79.05491	15.3
79.58594	0.3
81.03397	0.4
81.07056	35.5
82.07391	1.4
83.08639	0.5
86.09710	0.9
91.04885	0.6
91.05478	19.4
93.07043	35.9
95.04964	2.9
95.08612	6.5
98.98468	1.6
99.00797	0.4
103.05453	0.4
104.10741	3.3
105.04510	0.4
105.07030	19.1
105.11076	0.3
107.04947	0.8
107.08591	83.9
108.08914	1.1
109.02878	0.4
109.06510	2.3
109.10147	1.8
117.06979	0.6
119.04943	10.4
119.08617	0.5
119.89909	0.3
121.10097	0.6
123.04472	0.3
123.11716	0.4
131.08586	1.5
132.09373	0.4
133.10126	30.6
134.10492	0.6
135.11687	100.0
136.12036	0.9
137.13254	12.5
138.52948	1.2
147.04407	17.9
147.11665	0.5
153.12746	0.9
155.01018	0.8
157.53751	1.2
159.11598	0.6
163.03880	0.4
165.05467	0.5
167.54501	0.4
169.04587	0.6
182.92799	0.3
184.07330	1.0
185.09499	0.4
190.96417	0.3
191.35419	0.3
195.08025	0.3
198.96762	0.4
205.12193	0.5
213.09058	5.6
216.97943	0.3
231.10057	0.4
233.11659	1.1
236.56238	0.4
240.09892	0.5
249.11113	0.7
263.23776	0.5
272.47043	0.3
279.64670	3.0
280.14841	4.2
280.64883	1.9
281.14890	0.3
288.65045	0.4
289.15396	0.9
289.65439	0.5
297.14774	1.9
297.66516	0.3
299.16458	0.8
309.21933	0.4
311.09378	0.5
323.97299	0.3
337.20520	0.5
337.27301	6.6
385.23706	8.5
597.31458	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.3208
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02384	0.3
53.03942	1.0
54.62746	0.2
55.05506	1.2
55.72849	0.2
64.63892	0.2
65.03932	1.2
67.05496	2.5
68.81092	0.2
69.07066	1.7
71.62604	0.2
71.62969	0.3
77.03944	0.2
79.05487	10.6
81.07053	10.5
91.05473	16.5
93.07037	37.4
95.01319	0.4
95.04963	2.8
95.08592	1.9
99.00806	0.3
99.38696	0.2
102.09135	0.2
104.10734	0.7
105.04507	0.3
105.07022	11.8
107.04969	1.7
107.08587	83.4
108.08935	0.5
109.06516	2.2
109.10162	0.6
114.20502	0.2
117.01822	0.2
117.07018	0.4
119.04936	12.0
119.05936	0.4
119.06174	0.3
120.05750	0.4
121.02816	0.3
121.10120	0.3
128.07036	0.2
131.08583	0.4
133.10123	15.6
135.11682	100.0
136.11998	1.0
137.13251	4.2
145.06477	0.3
147.04390	4.2
152.06140	0.2
153.12721	2.1
155.43166	0.2
165.07091	0.2
167.08528	0.5
175.07596	0.2
177.06966	0.5
195.08073	0.5
205.12187	1.4
212.08313	0.4
213.09096	12.7
219.08029	0.2
233.11687	2.8
237.09073	0.4
251.03177	0.2
265.08542	0.3
275.79184	0.2
293.07980	0.2
297.14856	5.1
311.09039	0.5
478.54486	0.2
597.33148	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.321
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00330	0.3
53.03936	1.5
55.01860	0.5
55.05518	0.6
57.07074	0.5
61.74669	0.3
65.03938	0.6
67.05502	2.6
69.07056	0.9
70.29047	0.3
77.03925	0.6
79.05493	7.2
81.07053	54.4
81.49284	0.3
82.07386	0.5
87.84724	0.3
91.05473	9.5
93.07041	20.3
95.04961	2.5
95.08601	7.5
95.09164	0.5
97.10248	0.2
99.00809	1.0
103.05452	2.4
105.07025	100.0
106.07360	1.3
107.04957	0.9
107.07859	0.6
107.08585	11.3
109.06532	0.3
109.10161	0.8
117.01846	0.4
117.07015	0.7
119.04945	6.5
123.11688	0.4
131.08597	0.5
133.10124	60.6
134.10448	0.6
135.11688	13.5
137.13254	22.3
138.13626	0.3
147.04396	6.2
149.04373	0.4
153.12827	0.4
157.77867	0.3
165.05487	0.3
195.08037	0.5
213.09099	11.5
214.09453	0.4
249.11226	1.1
293.07501	0.3
297.11411	0.4
297.14706	0.7
305.20511	0.3
311.09045	0.3
383.35022	0.3
385.23706	4.6
597.30957	0.4
621.12195	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.3023
Annotation	Neobonaspectin B
Peak:m/z	Relative Intensity
51.13977	0.4
53.03939	1.5
55.05516	9.4
57.03439	5.6
57.07068	1.1
65.03931	2.0
67.05503	19.5
69.06718	0.8
69.07069	9.7
69.52474	2.5
69.52902	1.8
71.04982	0.6
79.05057	1.0
79.05492	13.4
81.03432	2.5
81.07053	23.3
83.04975	1.1
83.08624	6.2
85.02925	1.0
85.06553	0.8
91.05474	14.5
93.07041	43.7
95.04972	2.2
95.08605	15.3
97.06525	1.3
97.10164	2.9
98.98463	7.7
105.07025	8.5
107.04954	1.3
107.08591	91.7
109.02859	2.6
109.06525	1.8
109.10163	6.2
111.08124	0.7
111.10945	0.6
119.04964	6.8
119.08585	2.3
121.10144	2.0
123.11707	2.3
127.03888	0.5
133.10132	4.0
135.11688	100.0
137.13254	2.1
147.04410	3.1
147.11710	1.4
149.13283	0.8
151.11115	0.5
153.12755	6.4
155.01047	2.2
161.13271	0.7
163.14767	0.6
179.25398	0.5
213.09120	7.8
245.22688	1.1
248.94397	0.5
261.03662	2.7
263.23709	1.9
317.06207	0.7
335.07193	0.8
337.27359	74.5
368.63541	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.3209
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	0.4
53.03941	0.9
53.54274	0.2
55.01867	0.4
55.05501	1.4
57.07069	0.6
65.03934	1.3
67.05499	2.8
69.07051	1.5
71.62615	0.5
77.03912	0.4
79.05489	10.6
81.07052	22.4
87.62331	0.3
91.05473	14.9
93.07037	37.3
95.01324	0.3
95.04964	3.1
95.08598	3.7
99.00836	0.3
100.04802	0.3
105.04537	0.4
105.07025	9.3
107.04948	1.9
107.08586	76.8
108.08917	1.0
109.06511	2.4
109.10173	0.9
119.04939	8.0
119.05957	0.4
119.08575	0.5
121.10158	0.5
123.11665	0.3
131.08595	0.5
133.10121	11.9
135.11681	100.0
136.12012	1.1
137.13240	6.4
147.04393	3.9
147.11647	0.3
153.12746	1.9
185.09538	0.4
191.07057	0.4
195.08014	0.7
205.12195	1.2
213.09085	12.5
215.58601	0.3
231.10182	0.8
233.11732	2.6
249.11241	1.0
251.12807	0.4
258.44534	0.3
265.08444	0.3
269.22397	0.3
293.07880	0.3
297.14835	0.7
311.09119	0.5
385.23734	6.3
386.23962	0.3
597.32300	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.233
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.6
55.01867	1.1
57.03411	0.8
65.03935	5.1
65.04224	0.9
65.88835	0.9
67.05506	1.1
69.03424	0.9
70.75646	2.5
71.74477	0.7
78.04701	2.5
79.05491	5.9
81.03397	1.1
85.02896	1.8
91.05476	7.0
92.05816	0.9
93.03355	1.3
93.07029	1.7
95.01329	1.1
95.04975	3.7
103.05444	4.1
105.03373	0.9
105.07018	7.4
106.04176	2.0
107.04946	9.9
109.06526	1.0
110.03685	4.7
111.04462	6.4
115.05455	3.3
117.06998	1.3
118.04144	1.4
119.04936	7.8
119.08580	1.0
120.05302	1.3
121.06499	3.8
122.03639	1.3
123.04418	5.8
124.05211	2.2
125.05984	5.2
128.06224	2.9
129.06975	7.7
130.04076	1.3
131.04919	4.9
131.08542	1.0
132.05705	2.1
133.06458	5.8
135.04411	2.2
137.05966	5.7
144.05708	1.7
145.06480	1.5
147.04396	22.3
147.08032	3.3
148.04715	8.2
149.04938	2.3
149.05983	3.5
151.03873	2.1
151.07645	0.9
152.04688	0.9
153.05457	21.8
153.12767	0.9
155.04875	1.1
159.08066	6.1
160.05142	1.0
161.05980	9.4
163.03920	2.8
163.07474	1.0
165.05583	1.3
165.06946	1.4
167.07037	62.0
168.80983	0.9
171.04468	0.9
171.08029	1.1
172.05241	2.0
175.07545	11.3
176.04666	2.0
177.05519	4.7
178.07779	1.3
179.07051	1.7
179.08582	1.2
181.04927	2.2
184.05219	1.4
185.05872	1.1
186.06723	2.3
187.07524	16.4
189.05443	5.0
189.07021	2.9
189.09122	1.8
190.07747	2.8
191.07030	6.0
191.08572	3.8
193.06644	1.1
199.07542	4.3
202.07765	2.5
203.08554	3.9
204.09293	1.0
204.89702	0.9
205.06497	3.1
206.07231	2.6
207.06454	1.8
207.08153	2.2
208.08812	1.0
209.08028	4.3
215.08647	1.7
216.07738	2.0
217.06598	1.6
218.07246	5.3
219.08000	9.3
220.08844	2.6
221.05946	2.7
221.09653	4.1
223.07600	1.6
229.08441	1.8
231.08080	4.7
232.08740	2.0
233.05965	1.9
233.09647	3.4
233.93076	0.8
234.06740	4.2
235.07474	5.6
236.08327	2.5
237.08974	0.8
245.05933	2.0
246.06757	2.5
247.07529	6.6
248.08235	4.9
249.05453	1.7
249.09099	8.8
250.06277	1.2
250.09880	1.7
251.07048	3.0
251.10649	5.8
253.08545	1.7
257.05869	0.9
258.06821	1.0
259.07602	2.4
260.08286	2.6
261.05511	2.5
261.09131	4.1
262.06226	1.5
263.07007	4.3
263.10565	2.1
264.07797	7.2
265.08560	7.7
266.09399	1.8
275.06976	3.6
276.07858	5.0
276.10489	0.8
277.08667	5.7
278.09259	5.2
279.06873	1.7
279.10150	7.0
280.10803	1.5
281.08566	1.4
281.11707	8.1
282.08929	1.2
287.05515	4.9
288.05411	4.5
289.05850	4.0
289.08865	4.7
290.09332	2.4
291.10144	2.6
292.07333	2.8
293.08124	4.6
293.11359	1.9
294.08850	3.3
296.10361	1.1
304.07388	1.0
305.08136	2.2
306.08734	2.3
307.09558	12.6
308.10370	3.5
309.07712	1.5
309.11130	9.4
310.12088	1.3
311.09341	1.1
319.09637	6.6
320.10422	1.6
321.07803	1.6
321.11063	6.2
323.09299	1.1
323.12845	2.3
324.09863	1.5
326.11563	2.0
327.77808	1.0
337.10730	1.3
339.12250	100.0
340.12723	1.0
341.13821	20.6
351.12262	18.9
353.13754	7.9
369.13400	2.0
379.15158	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.2164
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.7
53.68107	0.5
55.01860	1.0
57.03413	0.6
61.02908	0.9
65.03956	2.5
67.05509	0.8
69.03423	5.3
71.05005	0.7
71.58405	0.9
77.03920	0.6
78.04700	0.6
79.05486	3.9
81.03406	2.0
85.02903	8.2
91.05449	2.4
93.03409	0.6
95.04941	2.4
97.02910	2.4
103.05466	1.5
105.07005	2.3
106.04139	0.6
107.04955	11.5
110.03659	1.2
111.04428	0.9
115.05453	2.0
117.07015	2.4
119.04935	0.5
121.06516	0.8
122.03658	0.8
123.04420	3.3
124.05214	2.2
125.05981	1.9
127.03910	4.5
128.06233	0.7
129.06985	2.1
131.04924	2.6
131.08540	1.9
133.06471	2.6
137.05951	3.3
138.03078	0.9
141.06964	1.1
142.02609	0.8
143.04918	0.9
144.05699	2.5
145.04921	0.8
145.05281	0.7
145.06477	6.5
147.04440	1.2
147.08058	1.1
149.05908	0.9
151.03853	0.7
152.04660	1.9
153.05457	1.8
155.04913	0.7
155.07025	1.4
156.05678	0.8
157.06516	1.6
159.04390	0.6
159.08055	3.0
160.05228	0.7
161.05983	4.8
163.07529	0.7
165.05527	0.6
167.07037	37.0
171.04214	0.7
171.06569	2.5
172.05183	12.0
173.05951	4.8
174.06810	0.7
175.03960	1.0
175.07491	3.2
177.05447	1.4
179.07010	1.0
181.04950	34.1
181.08476	1.1
183.06552	0.9
185.05927	1.3
187.07509	4.7
189.05473	2.7
189.09029	0.6
190.06216	1.3
191.07053	1.4
191.10699	1.0
193.04991	0.9
193.08588	2.4
195.06451	1.6
200.04686	7.4
201.05444	2.9
202.06200	0.7
203.07111	1.4
205.06895	0.8
205.08572	4.3
206.05731	1.0
207.10181	1.0
209.08066	2.0
211.05952	1.1
217.08568	1.9
218.05708	12.2
219.06303	1.2
219.08098	1.4
219.09973	3.4
221.08083	2.9
231.06429	1.1
233.08073	100.0
234.08650	0.6
235.07510	1.2
235.09679	2.2
245.08076	2.1
247.07513	1.5
247.09816	0.7
249.09222	0.7
251.09013	2.8
261.09012	0.7
263.09146	32.1
264.07733	1.0
265.10840	0.8
277.08670	1.2
279.06863	0.6
279.10114	1.4
280.07309	0.8
281.10403	1.1
287.05472	1.4
289.06131	0.8
292.07327	0.7
293.08011	0.8
295.09607	1.1
307.09595	1.6
309.07614	1.2
321.11072	0.6
323.09152	1.2
324.10086	0.7
325.10440	0.8
327.12265	0.9
331.07956	0.9
335.08963	0.8
337.10733	0.9
339.12326	4.0
346.10425	1.9
349.89020	0.5
353.10077	1.0
355.11835	1.8
356.34494	0.5
367.11658	2.9
371.14798	0.8
372.12003	0.9
373.12643	0.7
381.13312	0.8
384.12082	1.1
387.14352	3.6
399.14401	5.9
405.15378	0.8
417.15430	52.3
435.16455	2.2
597.23352	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	597.181
Annotation	5,7,2',5'-Tetrahydroxyflavanone 7-O-rutinoside
Peak:m/z	Relative Intensity
53.03948	3.3
55.01862	9.1
57.03422	6.7
68.98902	2.9
69.03426	5.9
69.95840	13.8
71.04983	11.0
75.61372	3.0
78.80992	3.2
79.05479	5.0
81.03400	3.0
81.07043	4.3
82.96175	3.3
83.01339	4.2
83.40747	2.7
85.02896	37.1
91.05482	6.6
93.03404	9.2
95.04980	7.9
97.02886	11.9
105.03393	3.8
105.06968	3.0
107.04942	25.5
109.02872	15.5
111.04404	3.4
119.04916	6.6
121.02860	23.0
121.06506	5.3
123.04422	30.9
127.03896	9.2
129.05466	3.7
131.04919	8.6
133.06493	3.8
135.04405	30.1
139.03909	16.5
145.02925	3.8
145.06464	5.8
147.04405	26.5
149.02318	5.7
149.05962	4.5
151.03886	13.0
159.04379	12.5
161.05983	10.1
163.03874	13.9
165.01823	11.6
167.07010	7.3
173.02344	6.4
173.06010	12.5
175.00229	3.4
175.03983	7.4
175.07603	3.8
177.01802	13.1
177.05467	11.5
178.12158	3.0
181.04858	3.3
183.02879	6.4
185.05994	3.7
187.03922	10.7
189.01772	24.3
189.05499	6.3
191.03406	15.5
195.02869	37.7
201.01875	4.3
201.05484	13.1
203.03342	13.9
205.01349	5.8
205.04938	5.6
207.02885	52.6
209.04327	3.6
213.05518	4.0
215.03329	14.5
217.04944	4.5
219.02882	89.1
221.04407	7.3
223.02403	15.0
225.03870	26.8
227.03400	5.8
229.04958	18.4
229.07080	3.6
231.02870	45.2
233.04417	22.8
237.03929	24.1
239.03603	4.2
243.02837	31.5
243.06570	6.5
245.04436	7.6
247.06122	5.0
249.03899	23.3
255.02795	6.9
257.04410	19.1
261.03946	100.0
261.06821	4.9
269.04514	5.9
271.06058	7.8
273.03934	45.1
273.07071	5.9
281.04437	4.1
285.03931	51.5
289.07065	7.7
291.05002	33.2
297.03879	17.5
297.07544	20.9
299.05460	10.8
303.05023	29.8
309.03555	6.8
309.07407	4.9
315.04971	11.2
321.06000	24.4
327.04944	45.3
327.08594	17.5
337.87070	3.2
339.08215	30.5
345.06027	9.8
351.08698	18.5
357.06012	9.8
357.09811	4.2
363.07043	32.5
375.07059	8.9
381.09653	32.1
387.07205	11.7
393.09473	28.9
405.08340	35.2
409.09195	4.6
411.10739	13.3
417.10062	6.6
423.10724	27.2
429.11740	37.0
441.11096	40.1
447.10629	28.4
459.12833	32.5
465.11588	9.8
477.12085	8.3
483.12787	17.3
489.11673	5.8
495.12839	15.4
507.12753	10.1
525.13794	13.5
543.15100	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	597.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.5
55.01860	1.1
55.05480	0.8
55.75799	0.7
57.03435	4.1
61.02909	1.2
67.05560	0.9
68.84437	0.8
68.99799	0.9
69.03423	5.3
71.04990	19.1
71.59119	1.0
73.02914	1.4
79.05489	5.7
81.03397	2.3
83.04969	2.4
85.02903	29.2
86.35432	0.9
87.04454	1.2
91.05460	3.6
93.09071	0.9
95.04970	2.9
97.02879	3.5
99.04443	0.9
103.05428	1.2
107.04952	27.2
109.02873	1.0
111.00787	0.8
111.04432	2.8
115.05470	1.7
119.04949	1.3
121.02852	2.6
121.06493	1.6
123.04421	17.2
124.05180	2.5
125.05976	1.6
127.03901	4.5
129.05481	5.1
131.04959	1.1
135.04413	5.4
137.02377	0.8
137.05951	0.9
139.03908	7.7
145.04881	1.1
145.06491	2.3
147.04395	2.5
147.06511	2.0
147.08028	2.2
149.02338	22.6
149.05994	1.6
151.03836	4.3
152.04721	2.2
153.01830	5.1
157.06496	1.6
160.05144	1.3
161.05923	1.0
163.03925	7.6
167.07036	100.0
169.06532	1.6
171.06532	0.9
173.06012	2.5
175.07571	4.4
179.06915	1.1
181.04976	11.1
183.06506	1.0
187.07535	1.9
191.03325	1.1
191.07014	1.1
193.05031	1.0
195.06537	1.4
197.05951	2.1
201.05452	2.4
203.03334	0.8
203.07069	3.0
206.35515	0.9
213.05518	1.4
215.07005	30.5
216.43871	0.8
217.08496	0.9
230.77348	0.9
231.06534	1.0
233.08035	3.1
235.09660	5.2
243.06522	44.1
246.06628	1.0
247.07497	0.9
247.09674	1.3
251.09148	2.2
253.04893	1.1
257.04248	1.1
263.06943	1.2
263.09198	7.9
271.05997	47.9
273.07507	5.2
279.09985	0.9
281.08130	1.1
282.08801	0.8
283.05972	1.0
285.07504	2.0
289.07025	22.8
291.06314	1.0
295.05908	3.3
296.06332	1.6
297.06915	1.1
303.04993	26.3
307.06165	1.1
307.09497	2.0
308.06552	1.7
309.07114	1.9
313.07004	3.3
321.07416	1.0
322.08035	1.2
323.08820	1.8
325.06934	1.7
331.08002	3.1
335.08624	1.5
337.06873	1.8
339.07877	1.5
339.11978	1.3
351.07986	1.2
353.09641	1.0
367.11725	4.9
399.14560	7.9
409.09055	1.0
411.09760	1.3
415.10132	1.3
417.15466	24.2
423.09671	1.0
451.11966	1.1
459.11783	4.5
465.10217	3.2
501.13217	1.0
513.12885	1.2
525.12817	1.3
543.13684	1.0
579.16193	1.2
597.22491	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.1811
Annotation	5,7,2',5'-Tetrahydroxyflavanone 7-O-rutinoside
Peak:m/z	Relative Intensity
51.02383	0.7
53.03944	1.5
55.01861	1.8
55.05504	1.0
57.03439	8.6
61.02913	2.9
64.76379	0.6
65.03931	1.0
67.05508	1.6
68.99793	3.0
69.03427	8.8
70.87043	1.3
71.01333	0.7
71.04992	45.5
73.02912	2.9
75.04472	1.6
81.03418	4.2
83.04995	3.2
85.02902	77.9
87.04504	1.5
88.86522	0.6
89.03933	1.1
90.17256	0.7
91.03951	1.0
91.05457	1.0
93.03401	1.3
95.04961	1.8
97.02896	7.7
99.04426	1.9
105.03388	1.1
107.04955	3.1
109.02832	3.3
111.00806	4.3
111.04437	9.9
115.03921	1.0
117.03333	0.7
119.04921	1.0
121.06490	1.0
122.10729	0.7
123.04426	100.0
124.04762	1.0
127.03915	21.6
129.05476	17.6
129.07001	1.0
131.04927	1.8
131.75121	0.6
135.04416	35.0
137.02379	1.1
137.06061	0.7
139.03900	67.0
145.00577	0.7
145.04936	4.1
145.06390	0.7
147.04427	7.2
147.06464	4.3
149.02356	2.8
149.06000	1.9
151.03900	24.1
157.06444	0.8
159.04425	2.2
161.06044	1.9
163.03908	29.9
163.07520	1.6
165.05499	1.8
167.03490	1.1
167.07108	0.9
169.04994	1.7
173.05998	1.7
175.03926	1.9
177.05461	1.7
179.03426	1.7
179.21312	0.6
181.04979	2.3
185.05884	0.9
187.03886	3.4
187.07491	0.6
189.05457	2.3
191.03336	2.1
193.04945	3.6
197.05952	1.5
201.05432	1.2
203.06984	1.2
205.04985	3.5
208.02222	0.6
213.05493	0.9
215.07036	1.5
217.04935	1.5
217.91631	0.6
219.06583	1.0
225.05698	1.4
229.04991	2.3
231.02870	0.7
231.06494	5.5
239.06871	0.6
243.06575	2.7
249.07550	1.7
253.05020	1.3
255.06487	1.9
255.08827	1.5
259.06064	3.7
261.04810	1.1
261.07568	9.1
267.08740	2.6
271.06030	15.3
273.07568	45.9
274.07996	0.7
283.05798	0.9
285.07236	1.3
285.10013	1.4
289.07059	57.5
290.07306	1.9
291.08652	1.7
295.06039	3.8
297.07538	1.1
301.07138	1.8
313.07025	8.2
325.06918	0.9
327.08578	1.5
331.08200	3.4
337.07108	2.1
339.08713	0.7
355.08163	4.6
381.09589	2.2
399.10855	3.8
415.10364	1.0
417.11691	2.3
433.11130	0.9
435.12610	0.7
451.12238	2.8
501.03732	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	1.2
55.01880	2.0
55.88295	0.7
57.03435	18.2
59.04984	1.0
61.02921	11.2
69.03428	30.5
69.36319	6.0
69.36735	2.0
71.01340	2.8
71.04978	5.2
73.02916	39.4
81.03414	6.1
83.04978	0.8
83.61996	0.8
85.02903	100.0
85.58366	0.7
86.03244	1.4
87.04473	4.3
91.03966	6.4
97.02891	52.1
99.04426	4.3
103.03985	1.0
105.07019	4.1
109.02864	7.3
115.03925	35.4
121.06461	1.1
123.04469	1.1
127.03915	26.2
129.05498	1.3
133.04968	9.2
135.04376	1.2
137.02365	0.9
139.03947	0.9
141.34222	0.9
145.04958	48.0
146.05322	0.8
147.04390	0.9
147.08002	1.8
153.01843	1.3
163.03954	7.5
163.06010	25.9
163.07408	1.7
164.04276	3.0
167.07050	1.2
181.04871	1.2
193.05061	0.9
201.09052	1.7
207.11386	0.9
219.10187	1.0
223.06036	3.1
233.08063	0.8
238.20607	0.9
241.06999	5.5
249.11198	1.1
253.08511	0.7
259.08145	7.1
261.71429	0.7
272.10117	1.0
285.13342	7.3
287.05496	15.5
288.05841	18.8
295.10220	16.2
303.04987	10.9
325.11343	9.3
417.15405	0.9
541.61371	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.1812
Annotation	5,7,2',5'-Tetrahydroxyflavanone 7-O-rutinoside
Peak:m/z	Relative Intensity
53.03929	1.8
55.01868	1.4
55.05503	1.0
57.03432	7.8
57.69282	0.8
61.02915	3.2
62.53798	0.8
64.40514	0.8
65.03928	1.4
67.05486	1.1
68.05988	0.9
68.99789	2.6
69.03119	1.0
69.03426	9.4
69.65543	0.6
70.04064	3.7
71.01405	0.6
71.04992	42.8
73.02910	2.5
75.04467	1.2
77.03924	1.2
81.03425	4.2
83.04975	3.1
85.02902	64.7
87.04453	2.6
89.03872	0.8
91.03983	1.1
91.05479	0.9
92.25854	0.7
93.03397	2.1
95.04966	1.5
97.02905	7.5
99.04433	1.8
99.10912	0.9
105.03397	0.7
107.04975	3.8
109.02866	3.4
111.00822	4.2
111.04443	8.8
119.04955	1.1
121.06524	1.0
123.04424	100.0
124.04720	1.1
127.03909	16.7
129.05479	15.1
131.04924	1.1
135.04416	35.1
139.03894	60.1
145.04985	3.3
147.04396	6.8
147.06500	2.8
149.02348	3.3
149.05984	1.6
151.03897	21.3
159.04431	3.1
161.05984	1.3
163.03905	25.5
163.07539	1.6
165.05466	1.3
167.03508	0.8
169.04964	2.0
169.06425	1.1
173.06010	1.2
175.03972	1.9
177.05461	2.6
178.62157	0.9
179.03416	1.4
181.04939	2.5
183.04411	1.2
185.05995	1.2
187.03906	3.5
189.05481	2.0
191.03369	3.0
193.05002	2.8
197.04359	0.8
197.05977	1.3
201.05486	1.4
201.75867	0.7
203.07063	2.5
205.05006	2.9
207.03030	0.8
215.07005	1.1
217.04942	1.4
219.06586	1.4
225.05540	1.0
229.04930	1.8
231.06517	4.1
243.06558	3.0
247.05974	1.0
249.07529	1.2
255.06474	1.0
259.06052	3.7
261.07556	9.0
262.04108	0.8
267.08649	2.5
271.06012	13.6
273.07559	36.2
274.07858	0.9
283.05966	1.7
285.09937	1.1
289.07056	51.3
290.07687	1.0
295.05817	3.6
297.07806	0.9
301.07071	1.9
303.08435	0.8
313.07040	7.1
319.06094	0.8
325.07016	1.7
327.08694	0.8
331.08130	3.1
337.07114	2.4
339.08670	0.8
355.08090	3.4
381.09616	1.9
391.98410	0.8
399.10654	2.7
415.10147	1.2
417.11719	2.3
433.11215	1.8
451.12366	2.4
558.58124	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.3687
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84912	0.3
53.03937	1.3
55.01871	0.4
55.05504	1.6
57.03416	0.4
57.07058	1.0
58.80077	0.4
61.97533	0.3
65.03938	0.9
67.05508	2.6
69.03434	3.7
69.07066	4.5
70.39948	0.3
71.04993	1.9
71.59396	0.4
75.02425	0.3
77.03918	0.8
78.04721	0.5
79.05484	2.5
81.03416	7.9
81.07053	7.6
83.04970	0.6
83.08604	2.4
85.02904	5.2
85.06531	1.2
87.00820	0.4
89.84489	0.4
91.05474	2.9
93.07030	1.6
95.04989	2.7
95.08614	5.5
97.02891	5.0
97.06544	0.6
97.10171	2.0
99.04438	1.1
99.08083	0.7
103.05468	28.6
104.05798	0.7
105.01845	1.1
105.03378	0.8
105.07022	1.6
106.04204	0.5
107.04941	2.6
107.08593	1.7
109.02872	4.6
109.06528	0.4
109.10158	3.9
111.04437	0.6
111.08132	0.4
111.11723	1.2
115.05450	0.7
117.06998	1.1
119.04946	1.2
119.08615	0.9
121.02869	1.1
121.06522	1.4
121.10145	1.3
123.04428	1.3
123.08053	0.4
123.11743	2.0
125.06030	0.5
125.09620	0.5
125.13252	0.6
127.03912	4.0
129.05441	0.4
131.04927	100.0
132.05244	4.3
133.02824	0.6
133.06519	1.0
134.03625	0.4
135.04411	1.2
135.11710	2.1
137.02368	1.2
137.05952	2.4
137.13243	0.7
144.08096	0.5
145.02847	0.4
145.04977	1.0
145.06451	0.9
145.10118	0.5
147.04393	2.8
147.08028	0.5
147.11682	0.8
149.05984	8.1
149.13249	1.0
150.06285	0.8
151.03906	0.6
151.07552	1.1
151.14784	0.9
153.01848	2.3
153.05525	0.4
155.08504	0.4
157.06497	0.4
161.05986	1.3
163.03925	3.5
163.14877	0.8
164.83426	0.4
165.01860	0.7
165.05527	1.4
165.09065	0.4
165.16440	0.6
167.07037	9.5
167.08408	0.7
168.07439	0.4
173.05992	0.9
175.07541	0.6
177.05414	1.2
179.07065	1.1
181.04970	4.4
181.06429	0.7
181.08449	0.5
187.07561	0.6
189.09152	0.5
191.07013	1.2
199.07544	1.0
201.05510	0.8
203.07077	0.5
205.08704	0.7
205.19569	0.4
207.08264	0.6
213.09149	0.5
217.08241	0.4
217.19386	0.6
229.04964	1.6
233.08107	0.4
235.09680	0.7
235.20584	1.0
253.21698	0.7
257.04489	1.2
263.07190	0.5
264.07755	0.4
265.08734	0.5
274.04730	0.5
275.09131	6.4
281.28513	0.5
285.03949	1.6
287.05524	8.6
287.08243	0.3
293.10452	2.1
293.28482	1.4
303.04993	36.8
304.05270	2.7
304.24741	0.4
311.29443	1.4
325.21762	0.4
337.10809	1.1
339.12360	0.5
343.11719	0.7
351.12341	0.6
357.12952	0.5
359.11124	0.6
361.23856	0.7
369.13226	0.9
379.24765	1.6
385.12933	1.6
386.13669	0.5
387.14423	0.6
397.25854	1.4
405.09692	1.3
411.14517	0.5
416.14578	3.3
417.15189	0.5
565.20428	0.6
577.31158	0.5
595.14319	0.5
595.21802	4.0
595.32690	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.7
55.01863	3.1
57.03434	21.0
58.50593	0.8
59.04976	1.2
61.02927	10.7
69.03427	33.1
70.88499	2.6
71.01351	1.9
71.04996	5.2
72.08160	1.3
73.02917	37.9
79.88691	0.8
81.03415	6.8
85.02904	100.0
86.03253	1.0
87.04456	3.4
89.03906	1.2
91.03941	3.8
97.02891	52.3
99.04447	4.1
102.88927	0.9
103.03935	1.8
105.07032	5.4
107.04962	2.3
107.37204	1.1
109.02864	8.4
111.04418	1.2
115.03930	34.8
117.03397	1.0
120.08096	1.5
121.02871	1.1
123.04411	2.3
127.02967	1.6
127.03910	28.8
129.05489	1.8
129.07123	0.9
133.04961	10.5
133.09990	1.1
135.04367	2.6
136.04805	1.8
139.03864	1.1
145.04958	52.9
147.04391	1.1
147.07944	1.5
163.03925	14.8
163.06004	29.9
164.04253	5.7
167.07086	1.6
177.05542	1.4
181.04921	1.6
193.05032	1.0
201.09183	1.5
207.06538	1.2
207.11320	1.4
219.10211	1.2
223.05984	3.4
241.06996	7.1
246.64066	1.0
249.11163	1.5
259.08145	5.9
272.09830	1.9
285.13367	9.1
287.05545	8.1
288.05829	10.6
289.09137	1.3
295.10226	18.7
303.04965	11.7
325.11398	12.7
350.13416	1.7
416.14706	1.1
596.20203	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	595.3324
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.6
53.90888	0.3
55.01876	0.8
55.05268	0.4
55.05508	4.9
57.03425	1.0
57.07069	0.8
57.86695	0.3
61.02917	0.4
65.03926	1.8
67.05504	6.5
68.87597	0.3
69.03429	4.5
69.07067	8.3
70.06579	0.3
71.04991	3.0
71.08622	0.4
71.61697	0.5
73.02908	0.5
79.05485	3.6
79.29646	0.3
81.03414	8.9
81.07055	8.0
83.04968	1.0
83.08157	0.3
83.08618	4.6
85.02425	0.6
85.02903	8.2
85.06568	1.4
87.04463	0.4
89.03907	0.5
91.05476	11.9
92.05812	0.7
93.07037	3.9
95.04949	1.4
95.08607	8.8
96.08929	0.4
97.02888	3.3
97.06519	1.6
97.10162	5.1
99.04440	1.8
99.08068	0.8
103.05450	0.7
104.81294	0.3
105.03437	0.4
105.07019	3.0
107.04965	1.8
107.08599	2.6
109.02876	7.2
109.06513	0.7
109.10156	3.9
111.04431	1.9
111.08092	0.9
111.11710	2.0
113.90485	0.3
115.03963	0.4
115.05453	0.4
117.06976	0.9
119.04941	23.2
119.08583	2.6
120.05224	0.3
121.02908	1.7
121.06487	1.1
121.10135	4.9
123.04433	0.9
123.08044	0.7
123.11688	1.8
125.09609	0.5
125.13271	0.4
127.02960	0.4
127.03915	8.8
129.05473	0.8
129.07016	0.4
131.04930	1.4
131.08569	1.0
133.06439	0.6
133.10146	3.5
135.04404	1.0
135.11664	3.9
137.02342	0.4
137.06001	2.1
137.09634	0.9
137.13234	1.1
139.10197	0.3
139.11171	1.1
140.04716	0.3
141.06920	0.3
145.02835	0.5
145.04973	0.8
145.06485	0.8
145.10133	0.7
147.04404	100.0
147.11708	1.9
148.04716	4.2
149.06056	0.4
149.13255	0.6
151.03876	0.5
151.07538	0.4
151.11166	1.0
151.14787	0.8
153.01775	1.7
153.05496	0.4
153.12737	0.7
159.11693	0.6
161.05943	0.8
161.13223	2.0
163.03902	3.8
163.07549	1.0
163.14781	0.4
165.01881	0.8
165.05476	3.9
165.09093	0.3
165.12762	0.7
167.07054	3.1
169.06404	0.3
169.12141	0.4
171.06538	0.4
173.05981	0.7
173.13190	0.4
175.07521	0.7
175.14851	0.8
177.05511	0.5
179.07025	0.6
179.14297	0.7
181.04961	4.6
185.13261	0.3
189.05504	0.5
191.07086	0.7
193.04942	0.4
193.19533	0.5
201.05542	0.3
205.08554	0.4
207.06474	1.6
217.19508	3.4
225.07483	0.4
229.08356	0.3
235.20573	6.0
241.04855	0.4
251.20010	0.8
253.21649	6.1
271.22635	1.0
287.05490	39.1
288.05716	2.6
291.08572	2.9
294.46161	0.3
295.22598	0.4
307.09555	0.6
309.09586	2.5
315.23276	0.6
317.06595	1.8
319.22675	0.4
329.06824	0.4
333.24142	0.5
337.10913	0.4
337.23752	0.6
339.12305	0.7
343.22638	2.1
349.23297	0.4
361.23633	6.2
367.11700	0.4
369.13306	0.8
379.24789	12.0
380.25171	0.3
385.12701	0.7
397.25851	11.2
398.26111	0.3
415.13577	0.4
415.26852	3.0
416.14694	3.7
533.18811	0.3
595.21320	1.2
596.21429	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.3324
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.6
53.90888	0.3
55.01876	0.8
55.05268	0.4
55.05508	4.9
57.03425	1.0
57.07069	0.8
57.86695	0.3
61.02917	0.4
65.03926	1.8
67.05504	6.5
68.87597	0.3
69.03429	4.5
69.07067	8.3
70.06579	0.3
71.04991	3.0
71.08622	0.4
71.61697	0.5
73.02908	0.5
79.05485	3.6
79.29646	0.3
81.03414	8.9
81.07055	8.0
83.04968	1.0
83.08157	0.3
83.08618	4.6
85.02425	0.6
85.02903	8.2
85.06568	1.4
87.04463	0.4
89.03907	0.5
91.05476	11.9
92.05812	0.7
93.07037	3.9
95.04949	1.4
95.08607	8.8
96.08929	0.4
97.02888	3.3
97.06519	1.6
97.10162	5.1
99.04440	1.8
99.08068	0.8
103.05450	0.7
104.81294	0.3
105.03437	0.4
105.07019	3.0
107.04965	1.8
107.08599	2.6
109.02876	7.2
109.06513	0.7
109.10156	3.9
111.04431	1.9
111.08092	0.9
111.11710	2.0
113.90485	0.3
115.03963	0.4
115.05453	0.4
117.06976	0.9
119.04941	23.2
119.08583	2.6
120.05224	0.3
121.02908	1.7
121.06487	1.1
121.10135	4.9
123.04433	0.9
123.08044	0.7
123.11688	1.8
125.09609	0.5
125.13271	0.4
127.02960	0.4
127.03915	8.8
129.05473	0.8
129.07016	0.4
131.04930	1.4
131.08569	1.0
133.06439	0.6
133.10146	3.5
135.04404	1.0
135.11664	3.9
137.02342	0.4
137.06001	2.1
137.09634	0.9
137.13234	1.1
139.10197	0.3
139.11171	1.1
140.04716	0.3
141.06920	0.3
145.02835	0.5
145.04973	0.8
145.06485	0.8
145.10133	0.7
147.04404	100.0
147.11708	1.9
148.04716	4.2
149.06056	0.4
149.13255	0.6
151.03876	0.5
151.07538	0.4
151.11166	1.0
151.14787	0.8
153.01775	1.7
153.05496	0.4
153.12737	0.7
159.11693	0.6
161.05943	0.8
161.13223	2.0
163.03902	3.8
163.07549	1.0
163.14781	0.4
165.01881	0.8
165.05476	3.9
165.09093	0.3
165.12762	0.7
167.07054	3.1
169.06404	0.3
169.12141	0.4
171.06538	0.4
173.05981	0.7
173.13190	0.4
175.07521	0.7
175.14851	0.8
177.05511	0.5
179.07025	0.6
179.14297	0.7
181.04961	4.6
185.13261	0.3
189.05504	0.5
191.07086	0.7
193.04942	0.4
193.19533	0.5
201.05542	0.3
205.08554	0.4
207.06474	1.6
217.19508	3.4
225.07483	0.4
229.08356	0.3
235.20573	6.0
241.04855	0.4
251.20010	0.8
253.21649	6.1
271.22635	1.0
287.05490	39.1
288.05716	2.6
291.08572	2.9
294.46161	0.3
295.22598	0.4
307.09555	0.6
309.09586	2.5
315.23276	0.6
317.06595	1.8
319.22675	0.4
329.06824	0.4
333.24142	0.5
337.10913	0.4
337.23752	0.6
339.12305	0.7
343.22638	2.1
349.23297	0.4
361.23633	6.2
367.11700	0.4
369.13306	0.8
379.24789	12.0
380.25171	0.3
385.12701	0.7
397.25851	11.2
398.26111	0.3
415.13577	0.4
415.26852	3.0
416.14694	3.7
533.18811	0.3
595.21320	1.2
596.21429	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2877
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.9
55.05516	6.1
57.03437	6.9
57.07067	0.7
58.53897	0.4
65.03941	1.3
67.05504	28.8
69.07063	6.7
70.67049	0.5
70.80021	0.8
70.80368	1.0
71.04985	0.9
79.05490	14.5
81.03415	4.5
81.07057	24.6
83.04969	0.5
83.08630	2.7
85.02882	0.6
85.06530	0.8
91.05486	7.0
93.07038	16.8
95.04962	1.2
95.08607	19.4
97.06499	0.7
97.10173	1.0
98.98461	11.3
99.04453	0.6
105.07033	4.4
107.08601	7.8
109.02868	3.9
109.06518	0.7
109.10157	6.6
111.08102	0.6
113.43479	0.5
117.07014	1.7
117.33676	0.5
119.08565	2.6
121.09312	0.8
121.10131	6.3
123.08059	0.7
123.11681	2.2
127.03902	0.9
131.08577	2.3
133.10132	2.6
135.11665	3.7
145.10107	1.4
147.04404	0.7
147.11736	1.1
149.13240	1.7
155.01010	2.2
159.11685	1.2
161.13225	1.3
163.06046	1.1
163.14796	0.9
173.02103	0.8
173.13266	1.5
175.14827	0.7
177.16229	0.6
187.14795	0.6
212.38298	0.5
231.96420	0.5
243.21101	1.5
261.03769	3.5
261.22205	3.2
317.24875	0.9
335.07559	1.4
335.25797	100.0
336.26129	3.4
391.83640	0.5
570.24353	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2874
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71056	0.6
53.03936	1.2
55.05513	8.1
57.03444	7.9
59.38094	0.5
65.03929	0.9
67.05504	30.8
69.03410	1.1
69.07072	7.0
70.69677	1.4
71.04982	1.0
72.29048	0.6
76.24552	0.6
79.05064	1.0
79.05493	15.7
81.03419	6.3
81.07056	27.0
83.04971	1.0
83.08613	3.0
91.05479	6.4
92.96420	0.6
93.07040	16.8
95.04955	2.0
95.08608	22.0
97.06535	1.3
97.10161	0.6
98.98467	14.5
99.08089	0.6
105.07036	4.9
107.08591	8.8
109.02881	4.7
109.06498	0.8
109.10147	8.1
111.08082	0.7
117.06999	1.2
119.08582	4.2
121.10144	6.7
123.11705	1.9
127.03910	0.6
131.08557	2.9
133.10149	2.9
135.11670	3.6
137.13217	1.0
145.10091	2.5
147.11649	1.3
149.13257	2.2
155.00977	1.6
157.45554	0.6
159.11688	1.5
161.13255	1.5
163.14816	0.7
173.02094	0.9
173.13258	1.1
237.17023	0.6
243.21039	1.3
243.71405	0.6
261.03683	3.2
261.22107	3.8
317.24841	1.3
335.25797	100.0
336.26154	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03916	1.4
55.01847	1.6
55.05493	1.0
60.09820	0.8
61.15643	0.7
65.03938	5.1
66.55969	0.7
67.05464	2.7
69.03401	2.0
69.07036	1.8
71.04958	1.8
71.59305	1.3
77.03906	0.7
78.04674	2.2
79.05499	6.7
81.03371	3.0
81.07019	2.2
82.04169	1.5
83.08578	1.2
85.02910	5.2
89.03886	2.1
91.05485	18.2
92.06208	2.7
93.03419	1.0
93.07008	1.8
94.04202	0.9
95.04974	3.9
95.08554	1.7
97.02826	0.8
97.06508	1.1
97.10117	1.0
103.05510	3.9
105.03332	1.0
105.07011	3.8
106.04136	1.1
107.04955	22.3
108.02052	1.1
109.02830	1.2
109.06529	1.0
109.10108	1.5
110.03622	3.3
111.04420	2.5
115.05459	7.4
117.07016	6.3
118.04109	1.1
119.04946	8.8
119.08523	1.1
120.05765	3.7
121.02828	1.5
121.06463	3.2
122.03633	0.9
123.04433	5.3
124.05150	2.3
125.05933	2.2
127.03902	1.3
129.05392	1.0
129.06923	2.3
131.04913	6.5
131.08575	0.9
132.05672	1.5
133.02802	2.6
133.06482	4.6
133.10110	0.8
134.03624	1.5
135.04433	5.3
135.07990	0.8
136.05157	1.7
137.02231	0.7
137.05966	11.6
137.09560	0.7
137.13254	0.9
138.03072	0.9
139.03813	1.3
140.97360	0.8
141.06963	1.5
142.02667	0.9
143.04909	2.2
144.05736	1.4
145.06483	8.8
146.07457	0.9
147.04414	11.2
147.08017	2.1
148.05231	4.8
149.05923	3.5
150.03073	1.0
151.03882	3.2
151.07524	6.4
152.04654	1.8
153.01743	0.9
153.05434	2.2
154.06194	1.6
155.04868	0.9
155.05989	1.5
157.06451	1.4
159.04349	1.0
160.05124	1.4
161.05975	8.2
162.06715	0.9
163.03911	6.4
163.07478	1.3
165.04169	1.1
165.05478	18.4
165.06873	1.3
167.07048	73.9
171.06578	5.1
172.05270	1.0
173.06017	9.5
174.06668	1.0
175.07495	3.2
177.05417	4.7
179.07056	5.5
180.07739	1.8
181.04968	81.7
182.05614	0.7
183.08087	1.0
185.05952	1.8
187.07632	1.3
188.08339	0.9
189.05449	2.1
189.09061	1.7
190.06172	1.5
191.07065	4.1
193.04897	1.4
193.08606	2.0
195.06450	1.3
195.08105	0.9
198.05165	0.7
199.07547	1.9
201.05453	2.1
202.06198	0.9
203.07060	4.1
205.04922	2.1
205.08617	7.3
207.06477	1.2
208.07291	1.5
209.07945	1.6
213.05424	1.1
214.06238	0.8
217.08575	0.9
219.06339	1.1
219.10016	0.9
220.07307	6.9
221.06114	0.9
221.08052	2.9
222.06798	0.8
231.06386	0.9
233.07909	3.5
234.08780	2.4
235.09612	7.7
239.07008	1.4
248.08203	0.8
249.09137	1.0
253.08585	1.1
264.07739	1.1
265.08557	2.2
271.09747	1.2
276.07983	1.0
277.08405	1.1
279.06329	1.0
279.10043	0.9
285.11093	1.0
287.05502	15.4
291.10056	2.4
293.08081	1.4
295.09506	1.3
299.09158	1.0
307.09628	2.1
309.11169	1.0
325.10797	1.2
328.54111	0.7
337.10568	1.9
339.12268	1.1
343.11844	1.9
355.11896	3.7
357.13361	1.6
359.11371	3.3
367.11981	1.0
368.12503	1.0
369.13535	2.2
373.12988	1.3
385.12796	18.2
386.13632	1.1
387.14374	3.1
397.12885	1.4
397.25775	1.5
398.13638	8.7
401.12000	1.8
411.14316	3.3
415.13885	7.9
416.14670	100.0
417.15454	15.8
430.12747	3.9
441.15411	1.2
503.28137	0.9
565.20599	4.0
595.21753	32.7
595.32251	3.3
596.22253	0.8
615.21448	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.5
57.03432	5.4
61.02908	4.6
65.03933	1.9
68.99787	1.8
69.03428	3.5
69.39433	1.0
70.48116	3.5
71.05000	6.6
73.02901	4.3
81.03414	4.3
81.07050	1.4
85.02420	1.9
85.02904	26.7
87.04458	1.2
91.05441	2.7
93.03422	2.2
95.04971	1.8
97.02888	5.6
97.24057	1.0
98.97565	2.0
103.03953	3.5
107.04947	6.2
109.02876	2.8
109.06599	1.1
111.04439	1.7
115.03869	1.4
119.04956	7.3
121.02863	43.5
121.06485	4.4
123.04453	2.5
127.03931	3.2
129.05504	1.5
135.04391	4.0
137.05962	1.9
139.03914	2.0
145.02811	6.1
145.04932	1.9
147.04385	2.6
149.05948	1.3
151.03915	2.4
159.04419	1.8
161.05988	2.1
163.03908	19.1
165.01746	1.4
165.05450	1.7
173.02284	1.3
173.06128	1.3
175.03999	1.9
175.07567	1.3
177.01833	1.7
177.05435	1.7
179.03436	3.1
181.04964	2.9
185.05949	1.5
187.03931	3.2
189.01819	6.7
189.05449	2.0
191.03357	6.4
193.04936	2.1
195.01263	1.1
195.02875	7.4
196.88007	1.2
197.06213	1.3
201.05508	2.6
203.03378	9.8
205.04906	3.6
207.02852	8.6
209.04344	1.5
213.05511	2.0
215.03374	2.0
217.04912	5.9
219.02829	6.3
219.06497	2.1
221.04451	5.1
225.03857	2.0
229.04968	3.7
229.08493	1.5
231.02847	2.4
231.88774	1.1
233.04439	3.5
237.02702	1.2
241.04961	1.7
243.02916	1.6
245.04643	1.7
247.06018	1.7
249.03795	1.9
253.04793	1.4
255.02969	3.0
257.04318	3.1
259.08377	2.1
261.03909	2.3
266.05362	1.4
267.06412	2.9
268.07233	5.1
269.08130	1.3
270.05124	1.8
271.06015	3.1
271.09644	4.2
273.03833	2.7
279.06494	5.6
280.07327	2.6
281.08005	5.0
283.05981	9.5
284.06738	2.1
285.03848	3.5
287.05502	7.1
287.08560	1.2
291.06604	1.7
292.07309	1.3
293.08105	3.9
294.05222	19.4
294.08478	1.4
295.05994	85.3
296.06677	8.1
297.07544	11.1
299.05249	1.7
305.08133	2.9
307.06006	51.8
307.09140	2.0
308.06766	20.1
309.07617	12.5
313.07104	5.3
319.06137	6.1
320.06708	4.3
321.07568	32.1
322.08328	10.8
323.05414	3.4
323.09091	5.6
325.07040	90.9
327.04901	1.7
333.07562	7.4
335.05530	2.1
335.09137	14.0
336.06195	3.2
336.10162	1.8
337.07047	67.3
339.08353	2.1
345.07547	3.3
346.08258	1.4
347.09079	11.4
349.07010	34.1
350.07541	2.3
351.04373	1.5
351.08585	22.5
355.08069	20.1
357.07886	2.4
360.06033	1.4
361.06940	21.0
361.10846	1.7
363.08627	7.5
365.10178	15.9
367.08075	5.1
373.06897	6.1
374.07761	1.9
375.08545	11.5
377.10382	1.7
379.08145	54.0
385.07095	3.3
387.08298	2.6
389.10260	3.4
391.08078	30.8
393.09546	2.6
401.10187	4.0
403.08066	25.1
403.12646	1.8
405.09171	1.5
409.09180	47.5
410.09314	1.9
413.10684	3.4
415.08240	3.8
417.09641	3.6
421.09158	23.2
427.10278	37.2
433.09308	5.3
439.10223	28.6
441.10156	1.9
445.10699	7.1
449.12018	1.8
457.11285	100.0
458.11685	2.1
463.10104	7.0
475.12286	22.5
481.11288	31.9
487.09955	3.8
493.11279	4.0
499.12396	23.5
505.11081	5.7
511.12329	28.5
523.12329	24.1
529.13348	14.5
541.13434	28.6
559.14490	28.1
577.15460	16.2
595.17535	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	595.1656
Annotation	kaempferol-3-O-rutinoside
Peak:m/z	Relative Intensity
53.03934	0.1
55.05501	0.3
57.03433	1.5
60.22507	0.1
61.02930	1.2
68.99792	0.3
69.03406	0.2
69.99418	0.6
71.04993	9.2
73.02910	0.5
75.04470	0.5
81.03390	0.2
83.04981	0.6
85.02905	12.5
87.04477	0.2
91.03948	0.8
97.02882	0.8
98.20680	0.2
99.04431	0.2
105.03359	0.2
105.59882	0.1
106.12787	0.1
107.04946	0.5
109.02870	0.3
111.00786	0.5
111.04436	0.4
112.55226	0.1
121.02857	1.4
122.30985	0.1
127.03907	0.5
129.05478	3.1
129.06969	0.1
133.02852	0.2
135.04430	0.4
136.12642	0.1
137.02330	0.5
145.04956	0.4
145.06525	0.1
147.04404	0.4
147.06505	0.9
153.01834	2.9
157.06429	0.1
161.06006	0.2
163.03893	1.0
164.04831	0.1
165.01842	0.9
165.05482	0.2
167.07045	0.2
171.02840	0.2
171.04280	0.2
181.04872	0.1
183.02895	0.6
185.05963	0.2
213.05528	0.7
231.06541	0.3
241.05003	0.4
258.05246	0.8
259.05960	0.3
271.32953	0.1
287.05493	100.0
288.05804	0.9
288.10831	0.1
299.05539	0.6
329.06580	0.5
353.06488	0.5
431.09433	0.2
449.04446	0.2
449.10773	4.5
478.14835	0.1
551.05951	0.1
595.23059	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.1
56.58261	1.0
57.03431	2.6
61.02927	1.6
68.99812	2.0
69.03434	2.4
69.51120	1.8
69.51520	9.1
70.06591	1.3
71.04987	3.8
73.02924	2.0
81.03410	1.8
81.35340	1.1
85.02904	14.3
91.05437	1.7
93.03441	1.4
97.02894	3.6
98.97594	1.4
99.04462	1.2
103.03943	1.4
107.04961	5.1
109.02892	2.0
111.04478	1.6
112.75040	1.1
112.82456	1.1
119.04949	8.6
121.02869	39.2
121.06506	2.0
123.04453	2.8
129.05470	1.4
131.04926	1.4
133.06441	1.2
135.04404	3.6
137.06056	1.3
139.03864	1.2
145.02847	4.4
147.04413	2.3
149.01149	1.2
151.03894	2.0
161.02275	1.5
163.03911	13.8
165.01936	1.3
165.05528	1.4
173.05980	1.9
175.03793	1.8
177.05542	1.1
179.03436	2.2
181.05035	2.0
183.02869	1.2
187.03999	1.3
189.01768	6.0
189.05438	1.9
191.03377	5.6
193.04927	1.3
195.02849	5.6
201.05574	1.7
203.03413	7.9
204.04112	1.1
205.04967	4.7
207.02852	8.9
213.05470	1.7
215.03384	1.5
217.04991	5.1
219.02899	6.0
219.06564	1.4
221.04518	3.8
225.03790	1.7
227.03319	1.1
229.05011	3.9
231.02884	3.0
233.04370	2.8
235.06030	1.2
241.04997	1.5
243.02960	2.4
245.04404	1.8
249.03937	2.1
255.02864	1.6
257.04492	3.9
261.03934	2.5
267.06561	2.7
268.07217	3.7
269.04718	1.5
269.07855	1.3
273.03824	3.2
279.06604	3.8
280.07248	2.6
281.08057	6.0
283.05939	6.8
285.04062	1.8
287.05521	3.3
293.08197	3.7
294.05219	16.3
295.06009	73.6
296.06775	5.2
297.07587	8.3
303.04965	2.1
304.07352	1.6
305.08221	2.1
307.05975	41.7
308.06723	15.1
309.07550	11.9
313.06958	5.1
317.07767	1.6
318.09070	1.6
319.05841	5.9
320.06824	4.0
321.07593	24.4
322.04791	1.8
322.08255	10.3
323.05511	2.5
323.09171	6.4
325.07053	90.5
329.08081	2.0
333.07578	7.2
335.05518	1.2
335.09158	14.7
336.06363	3.5
337.07062	52.2
337.11154	2.6
339.08517	2.6
345.07303	2.1
346.08331	1.8
347.09158	9.4
349.07040	33.3
350.07391	1.9
351.04889	1.5
351.08603	17.0
355.08151	19.6
357.07532	2.6
361.07047	16.9
361.10623	1.1
362.07266	1.5
363.08572	6.3
365.06357	2.0
365.10217	11.6
367.08124	4.7
373.07166	6.3
375.04849	1.2
375.08716	10.3
377.06177	1.6
379.03229	2.7
379.08099	51.5
380.08780	2.1
385.06842	2.2
387.08566	3.1
389.10190	3.6
391.08136	26.1
393.09644	2.0
397.09351	2.1
401.10132	2.8
403.08063	23.4
403.12906	2.0
405.09595	1.7
409.09207	36.3
413.10724	3.9
415.08078	3.8
417.09793	2.3
421.09164	22.7
423.08923	1.4
427.10281	39.7
429.09442	1.5
431.11511	1.4
433.09488	4.0
434.09787	1.3
439.10229	25.3
441.09958	2.7
445.11194	6.3
457.11310	100.0
458.11545	2.8
463.10349	4.2
469.09863	1.6
475.12305	22.7
481.11288	22.9
487.10202	2.8
493.11230	2.8
499.12402	21.9
505.11087	6.8
511.12387	28.8
523.12427	24.6
529.13562	12.3
541.13440	27.6
559.14563	27.2
577.15576	14.2
595.15729	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	595.1655
Annotation	Datiscin
Peak:m/z	Relative Intensity
51.04947	0.2
57.03436	1.6
61.02924	0.4
68.85265	0.2
69.03421	1.1
71.04588	0.6
71.04990	10.1
73.02905	0.3
75.04476	0.3
81.03409	0.4
83.04977	0.4
85.02899	13.9
87.04462	0.3
97.02892	1.6
99.04436	0.4
99.45441	0.2
107.04948	0.6
109.02892	0.5
111.00789	0.5
117.03327	0.3
121.02868	2.0
127.03891	0.9
129.05469	2.7
133.02840	0.3
135.04440	0.6
137.02312	0.6
145.02812	0.3
145.04950	1.0
147.04382	0.3
147.06541	1.3
153.01823	2.4
157.06433	0.3
163.03908	3.1
165.01820	1.3
169.14697	0.2
181.04901	0.3
183.02911	0.6
183.51175	0.2
213.05408	1.1
231.06483	0.5
241.04919	0.9
253.08389	0.3
258.05298	1.0
287.05487	100.0
288.05841	1.9
329.06570	0.5
332.13107	0.3
353.06573	0.2
449.10477	0.7
554.63025	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.165
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.8
55.01878	1.5
57.03424	2.6
61.02919	2.6
61.74876	0.8
65.03911	1.0
68.99798	1.0
69.03431	1.9
69.64731	4.2
69.65149	1.9
71.04996	2.3
73.02903	1.4
79.05503	1.4
81.03429	2.7
85.02902	10.8
89.03910	1.3
91.05494	2.3
93.03426	1.3
95.04977	1.4
97.02895	2.6
103.03941	3.4
107.04949	5.7
109.02885	3.5
111.04436	1.7
117.03355	1.6
118.63408	0.8
119.04932	8.1
121.02865	33.7
121.06519	1.0
123.04457	1.4
127.03899	1.1
129.05458	1.0
131.04906	4.0
133.06453	1.0
135.04425	3.2
137.05977	2.2
138.05534	1.1
138.16850	0.9
141.01799	0.8
145.02844	5.0
145.06462	0.9
147.04370	1.9
149.06029	1.3
151.03926	1.7
155.20688	0.9
159.04420	1.5
161.02397	1.2
161.05984	1.8
163.03908	21.7
165.01848	1.1
165.05553	2.4
167.07074	1.4
171.04483	0.7
173.02385	1.2
173.05963	1.0
175.03894	2.0
176.01025	0.9
177.01840	1.6
177.05452	2.0
178.27304	0.8
179.03412	2.9
181.04976	2.5
187.03946	1.9
189.01787	6.6
189.05489	1.5
191.03337	5.6
193.05051	1.0
195.02921	7.7
197.04471	1.1
199.03873	0.9
201.01897	1.1
201.05424	1.7
203.03394	8.6
205.04987	2.5
207.02892	11.4
211.03900	0.9
213.05496	1.4
215.03387	1.7
215.07112	1.5
217.04976	4.8
219.02960	6.2
219.06491	1.2
221.04390	4.1
225.03886	1.9
227.03419	1.9
229.04956	5.0
231.02870	1.8
233.04443	3.1
235.05966	1.3
239.03612	1.4
239.06876	1.1
241.05090	0.9
241.08493	1.1
243.02821	2.3
245.04181	0.9
247.06015	1.4
251.07054	1.6
253.08575	2.4
255.02928	2.4
255.06552	1.2
257.04544	2.8
260.08035	0.8
261.03851	1.4
267.06570	2.9
268.07208	5.2
269.07852	1.3
271.06680	0.8
271.09583	4.0
273.03928	1.7
274.54990	1.0
277.08533	1.8
279.06622	6.1
280.07437	2.2
281.04852	1.4
281.08084	6.2
282.05185	1.8
282.08673	0.9
283.05997	7.5
284.06781	1.8
285.03973	2.6
287.05557	2.4
287.09296	1.3
291.06509	1.7
291.10068	1.2
293.07980	4.5
294.05255	21.1
294.08670	1.6
295.06018	83.9
296.06754	7.5
297.07520	8.6
304.07181	1.2
305.08029	1.2
307.05991	51.0
308.06778	18.6
309.04077	1.1
309.07571	16.1
313.07193	4.8
317.08029	2.0
318.08752	1.1
319.06036	8.1
319.09665	3.0
320.06775	5.1
321.07578	27.5
322.04767	1.4
322.08289	12.2
323.05475	3.1
323.09195	5.6
325.07040	100.0
326.07285	1.8
329.07852	1.3
330.34964	1.1
331.06119	1.2
331.09662	1.0
332.06683	1.3
333.07629	7.8
334.08142	1.9
335.05490	2.0
335.09119	16.2
336.06287	3.2
336.09830	1.1
337.07043	63.1
337.10468	2.5
338.07538	1.1
339.08621	3.4
345.07449	4.5
347.05301	1.4
347.09219	11.9
349.07053	34.3
350.07504	1.2
351.04504	1.0
351.08612	24.7
353.06351	0.9
355.08124	18.3
357.07614	1.6
359.09268	1.3
361.06970	19.3
361.10828	3.1
363.08591	7.9
365.06439	1.5
365.10287	11.9
367.08231	5.4
373.07004	6.2
374.07858	1.9
375.08603	11.9
375.12747	1.3
377.10382	1.9
379.08115	52.9
385.06851	4.0
387.08652	3.2
389.10397	5.2
391.08096	32.1
393.09766	2.0
401.10184	3.2
403.08105	24.7
409.09177	42.2
415.08722	3.1
417.09802	2.5
421.09167	23.9
425.09076	1.0
427.10300	37.5
431.11346	1.3
433.09201	4.2
433.14841	1.5
434.04483	0.8
439.10229	28.9
441.09015	0.9
445.11075	5.6
447.10739	1.4
457.11295	98.0
458.11600	1.3
463.10300	5.0
469.09146	1.2
475.12366	19.9
477.11362	1.0
481.11298	25.4
487.10287	4.5
493.11365	3.3
499.12408	17.7
505.11447	7.5
510.19434	0.9
511.04797	1.6
511.12314	26.3
523.12402	23.6
529.13446	14.9
541.13385	29.5
559.14423	27.4
577.15491	18.0
577.24567	1.4
595.16217	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	595.1653
Annotation	Datiscin
Peak:m/z	Relative Intensity
50.09048	0.2
56.69477	0.2
57.03437	1.9
59.55278	0.2
61.02910	0.5
68.85379	0.2
69.03415	0.9
71.04993	10.8
71.53389	0.4
71.53741	0.2
75.04471	0.3
81.03400	0.5
83.04955	0.2
85.02903	13.8
87.04436	0.3
91.03992	0.4
97.02881	1.2
109.02889	0.3
111.00754	0.3
111.04469	0.4
121.02888	1.3
124.04837	0.2
127.03873	0.8
129.05466	3.2
137.02318	0.4
143.34903	0.2
143.90887	0.2
145.04980	0.7
147.04355	0.3
147.06516	0.7
153.01828	1.8
157.06490	0.2
165.01849	0.7
183.02881	0.5
211.03474	0.3
213.05460	0.7
231.06577	0.4
258.05261	0.5
259.06100	0.3
269.04327	0.3
287.05493	100.0
288.05740	0.4
408.26825	0.2
449.10529	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	1.7
61.02926	1.8
67.87216	0.1
68.99791	0.3
69.03416	0.4
70.17968	0.4
71.01346	0.3
71.04991	9.8
71.95737	0.1
73.02902	0.6
75.04469	0.7
79.04717	0.1
79.44130	0.1
81.03379	0.2
83.04971	0.4
84.43075	0.1
85.02902	13.3
87.04485	0.2
89.84957	0.1
91.03940	0.9
97.02898	0.9
99.04429	0.3
105.03391	0.2
109.02866	0.2
111.00792	0.4
111.04462	0.3
121.02858	1.5
127.03905	0.6
129.05472	3.3
130.48409	0.1
133.02879	0.3
137.02327	0.6
145.04968	0.4
145.06369	0.2
147.04411	0.4
147.06520	1.2
153.01813	2.2
157.06529	0.2
163.06075	0.2
165.01810	1.1
171.04401	0.2
183.02945	0.7
185.05960	0.3
213.05400	0.7
231.06523	0.6
241.05032	0.5
258.05182	0.9
259.05942	0.3
287.05484	100.0
288.05850	1.1
292.13861	0.2
329.06332	0.2
353.06396	0.3
398.23831	0.1
418.10956	0.1
444.45621	0.1
449.10788	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	0.5
53.03935	1.2
55.01860	0.4
55.05506	0.8
57.03418	0.3
57.07077	0.5
60.51058	0.2
61.02924	0.3
65.03944	0.5
65.48886	0.2
67.05509	1.5
68.99790	0.2
69.03432	2.2
69.07064	2.1
70.01215	0.8
71.01368	0.3
71.04992	1.1
73.02931	0.4
77.03931	0.6
78.04717	0.2
79.05487	1.4
81.02926	0.3
81.03410	6.8
81.07050	3.2
83.04967	0.3
83.08610	1.0
85.02898	3.4
85.06531	0.5
87.00840	0.3
87.99227	0.2
89.03962	0.2
91.05450	1.9
91.49084	0.2
93.03433	0.3
93.07033	1.0
95.04967	2.0
95.08604	3.8
97.02883	3.7
97.06511	0.4
97.10149	0.9
99.04444	0.9
99.08099	0.3
102.04626	0.5
103.05461	31.6
105.01854	0.4
105.04477	0.3
105.07031	0.8
106.04176	0.4
107.04939	2.2
107.08594	0.8
109.02878	2.7
109.10151	1.9
111.00806	0.3
111.04436	0.3
111.11715	0.4
115.05435	0.4
116.35779	0.2
117.06985	0.7
119.04964	1.0
119.08576	0.5
121.02857	0.7
121.06509	0.7
121.10139	0.3
123.04436	0.7
123.11683	0.9
125.06000	0.3
127.03918	2.8
129.05461	0.3
129.07011	0.4
131.04918	100.0
132.05266	1.0
133.02846	0.3
133.06480	0.5
133.10135	0.4
135.04416	0.7
135.11661	0.5
137.02316	1.6
137.05937	1.7
137.13229	0.5
145.04979	0.8
145.06459	0.7
145.10133	0.2
147.04411	2.0
147.08141	0.3
149.05972	8.5
149.13194	0.2
151.03882	0.7
151.07541	0.9
151.14799	0.4
152.04698	0.3
153.01804	1.8
159.07959	0.3
161.05975	0.9
163.03915	1.5
163.07526	0.3
165.01830	0.9
165.05495	1.0
167.07043	6.4
173.05989	0.8
175.07549	0.3
177.05498	0.6
179.07040	0.8
179.17918	0.3
180.07744	0.3
181.04941	4.1
183.02898	0.5
189.05458	0.3
191.07040	0.8
193.08575	0.3
199.07672	0.4
201.05502	0.9
201.09125	0.2
205.04945	0.3
205.08557	0.5
207.06509	0.4
209.07985	0.2
217.08452	0.3
227.07027	0.3
229.04956	2.4
233.08037	0.3
235.09615	0.6
237.08972	0.4
241.08537	0.2
245.04338	0.2
248.08223	0.3
253.08588	0.3
257.04446	1.2
264.07971	0.2
265.08578	0.4
271.09363	0.2
275.09137	7.3
277.08704	0.3
281.28400	0.4
285.03979	0.8
287.05478	5.2
293.10281	2.6
293.28363	0.7
299.09171	0.3
303.04974	38.7
304.05414	0.6
311.16412	0.3
311.29388	1.0
337.10788	0.6
339.12259	0.2
343.11578	0.3
345.06345	0.5
351.12347	0.3
355.12033	0.3
359.10925	0.3
361.23828	0.5
367.12128	0.3
369.13113	0.7
379.24875	0.7
385.13013	1.1
397.25668	0.6
398.13663	0.4
405.09634	1.6
411.14261	0.5
414.96796	0.2
415.14124	0.3
416.14688	4.0
417.15408	0.3
451.09766	0.2
560.38770	0.2
565.20593	0.7
577.31946	0.4
595.13782	0.4
595.21527	3.6
595.32300	0.9
600.78687	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1448
Annotation	Kaempferol-3-Glucoside-6''-p-coumaroyl
Peak:m/z	Relative Intensity
50.01593	0.1
51.02373	0.2
53.03939	0.3
53.74462	0.1
55.05511	0.2
57.03439	0.2
65.03931	1.6
67.05496	0.3
68.99808	0.1
69.03423	1.3
69.07063	0.3
70.17094	0.1
70.80676	0.3
71.01358	0.1
71.04988	0.6
73.02906	0.1
77.03979	0.1
79.05480	0.3
81.03413	1.8
81.07048	0.7
83.04993	0.2
83.08607	0.1
85.02907	1.6
91.05474	12.3
93.07049	0.3
95.04952	0.4
95.08645	0.5
97.02898	0.7
97.06537	0.1
97.10172	0.3
98.21344	0.1
99.04437	0.3
103.05454	0.1
105.03359	0.2
105.07037	0.4
106.51502	0.1
107.04945	0.7
107.08558	0.2
109.02873	0.8
109.10126	0.2
111.00809	0.3
111.04465	0.2
111.11731	0.1
115.05575	0.1
119.04935	26.8
120.05247	0.2
121.02864	1.2
121.06482	0.2
121.10130	0.2
123.04427	0.2
127.03918	1.2
129.05449	0.2
131.04901	0.2
133.02859	0.2
133.06557	0.1
133.10173	0.2
135.04419	0.3
135.11714	0.2
137.02341	0.4
137.05998	0.5
139.11156	0.1
145.02873	0.2
145.06461	0.3
147.04401	100.0
148.04718	0.8
151.03958	0.1
153.01822	1.8
153.05498	0.2
157.06488	0.3
159.08018	0.2
161.05969	0.3
163.03932	1.6
163.05266	0.2
165.01836	0.8
165.04221	0.2
165.05460	0.9
167.07016	1.4
173.05927	0.1
175.07500	0.2
177.05469	0.2
181.04944	1.1
183.02895	0.5
185.05991	0.4
187.07555	0.2
191.07056	0.2
203.07051	0.1
207.06407	0.2
209.08089	0.1
213.05487	0.6
217.19576	0.1
231.06526	0.4
235.07480	0.1
235.20604	0.2
241.04947	0.3
243.06474	0.1
253.21603	0.2
258.05295	0.7
259.05951	0.2
263.07059	0.1
271.47324	0.1
287.05481	49.1
288.05804	0.6
291.08551	1.6
297.03711	0.1
308.10086	0.1
309.09561	0.5
317.06528	1.5
321.11179	0.1
327.05255	0.1
329.06567	0.3
337.10568	0.3
339.12183	0.4
341.13852	0.4
353.13770	0.2
361.23651	0.3
369.13278	0.4
379.24582	0.4
385.12750	0.2
397.25919	0.5
398.13425	0.1
405.09619	0.2
415.26920	0.1
416.14621	0.8
433.08960	0.1
590.12317	0.1
595.22485	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.3
55.01862	0.1
57.03429	0.2
60.37731	0.1
65.03923	0.9
67.05489	0.1
68.84974	0.1
68.99790	0.2
69.03416	1.0
69.53058	0.3
69.53476	0.6
71.04991	0.2
79.05493	0.2
81.03410	3.0
85.02908	1.1
91.05476	8.1
95.04974	0.3
97.02880	0.5
98.20750	0.2
99.04441	0.3
107.04942	0.5
109.02878	1.4
111.00806	0.2
117.07038	0.1
119.04935	21.5
120.05206	0.1
121.02863	0.7
127.03898	0.5
133.02834	0.1
133.06432	0.1
137.02318	0.2
137.05957	0.3
145.06497	0.3
147.04402	100.0
148.04732	1.1
153.01822	0.9
161.05994	0.2
163.03903	0.2
165.01791	0.4
165.05464	3.6
167.07053	0.5
171.06578	0.1
181.04933	1.8
183.02861	0.2
213.05507	0.3
220.07190	0.1
231.06441	0.1
235.09718	0.1
238.89734	0.1
241.05005	0.2
258.05099	0.2
287.05490	21.4
288.05807	0.4
291.08612	4.5
309.09653	2.1
309.97818	0.1
311.05399	0.1
385.12665	0.3
398.13913	0.2
415.13980	0.1
416.14621	2.1
455.81598	0.1
595.22443	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1446
Annotation	Kaempferol-3-Glucoside-6''-p-coumaroyl
Peak:m/z	Relative Intensity
53.03942	0.2
55.01865	0.1
55.05506	0.1
57.03431	0.2
60.01417	0.1
65.03931	1.0
67.05507	0.2
68.99792	0.1
69.03424	1.2
69.07061	0.2
69.91819	0.5
70.07491	0.1
71.04980	0.2
77.92677	0.1
79.05520	0.2
81.03414	3.6
81.07061	0.3
83.08625	0.1
83.97655	0.1
84.30033	0.1
85.02897	1.0
91.05474	9.5
92.05830	0.1
93.07050	0.1
95.08601	0.2
97.02871	0.5
97.10157	0.1
99.04458	0.4
105.03365	0.1
107.04960	0.2
109.02871	1.4
109.10142	0.1
111.00773	0.1
119.04938	23.1
120.05269	0.2
121.02863	0.7
121.10149	0.2
127.03929	0.7
133.02798	0.1
133.10109	0.1
137.02251	0.2
145.04955	0.1
145.06505	0.1
147.04401	100.0
148.04724	1.5
153.01816	0.8
153.05386	0.1
157.06509	0.1
163.03917	0.2
165.01790	0.5
165.05469	3.5
167.07065	0.1
181.04945	0.4
183.02876	0.3
185.06030	0.1
185.40086	0.1
198.06909	0.1
201.12546	0.1
213.05440	0.4
217.19569	0.1
231.06531	0.2
235.20522	0.1
241.04988	0.2
243.06441	0.1
249.07379	0.1
253.21751	0.1
258.05212	0.2
259.06012	0.1
287.05484	21.5
288.05768	0.5
291.08618	5.0
292.08990	0.2
309.09680	2.4
329.06625	0.3
343.22623	0.1
361.23602	0.2
379.24802	0.3
397.25641	0.3
402.99973	0.1
416.14551	0.3
433.75909	0.1
438.96323	0.1
444.44095	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	593.3531
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.3
55.01850	3.0
55.05509	19.0
57.03434	4.6
57.07061	6.1
65.13299	2.2
67.05506	31.8
68.01993	2.0
68.99799	3.3
69.03426	21.0
69.07069	40.9
71.04992	5.6
71.08627	3.0
71.59447	3.0
73.02930	4.1
77.03942	2.0
77.77469	2.2
79.05506	14.2
81.03414	15.2
81.07056	100.0
83.04990	3.4
83.08613	23.6
85.02900	36.2
85.06524	9.0
87.00811	12.3
91.05392	10.2
93.07047	43.7
95.04973	6.1
95.08607	84.6
97.02874	12.2
97.06530	5.4
97.10166	13.0
99.04449	5.2
99.08100	4.8
105.01880	11.9
105.07037	21.6
107.04958	2.6
107.08596	27.4
108.19572	2.1
109.02862	10.0
109.06468	2.5
109.10160	49.2
111.08099	3.9
111.11714	9.4
119.08588	15.7
121.06495	4.3
121.10146	29.1
123.08062	2.8
123.11701	30.9
125.09637	2.4
125.13274	4.9
127.03902	19.6
131.08557	3.2
133.10112	13.5
135.11681	18.3
137.05968	3.5
137.13248	11.9
145.04927	4.4
145.10159	4.3
147.04407	4.8
147.11662	10.3
149.09619	3.4
149.13257	34.3
151.14793	6.0
159.02922	3.8
161.13261	8.2
163.03885	22.8
163.14824	18.8
164.04262	10.8
165.16353	2.8
175.14816	3.5
177.12714	2.7
177.16389	11.4
179.17966	3.6
181.04898	2.7
182.50713	2.1
189.16357	4.9
191.07016	2.2
191.17966	5.8
199.07550	2.1
216.96056	2.3
217.19527	4.5
231.05089	4.0
249.06076	3.1
256.47415	2.3
261.25815	5.0
266.83685	2.4
269.17480	2.9
273.25729	13.2
279.26855	7.8
289.05157	4.5
291.26813	25.1
297.27777	4.8
309.27927	20.7
325.09277	2.5
326.09399	3.6
327.28912	2.6
355.06958	2.7
512.30078	2.3
593.20624	3.3
593.29865	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	595.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.2
57.03419	0.1
59.19527	0.1
63.02362	0.1
65.03930	1.3
67.05490	0.1
68.99796	0.2
69.03423	1.2
69.07063	0.2
70.94131	0.1
71.04984	0.4
72.53204	0.1
79.05457	0.1
81.03419	1.4
81.07038	0.2
85.02898	0.9
86.09702	0.1
91.05476	12.3
95.04949	0.3
95.08585	0.2
97.02866	0.3
98.20727	0.3
99.04440	0.3
105.07037	0.2
107.04948	0.3
107.61107	0.1
109.02833	0.6
111.00790	0.3
119.04934	27.0
120.05245	0.2
121.02877	1.1
121.10152	0.1
127.03899	0.8
133.02844	0.2
135.04457	0.3
135.08124	0.1
137.02330	0.4
145.06454	0.2
147.04399	100.0
148.04716	0.9
153.01816	1.6
157.06517	0.3
163.03922	0.4
165.01865	0.8
165.05457	0.8
167.07040	0.3
181.04985	0.3
183.02921	0.4
185.05943	0.1
203.07008	0.2
213.05438	0.6
229.69246	0.1
231.06485	0.5
241.04956	0.4
258.05170	0.5
258.20389	0.1
259.05765	0.1
269.04422	0.1
287.05481	48.7
288.05777	0.8
291.08609	1.9
309.09702	0.6
317.06546	0.1
329.06403	0.4
338.30173	0.1
372.67859	0.1
385.12766	0.2
416.14670	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.353
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.5
55.01881	3.3
55.05507	19.5
57.07067	10.3
67.05505	34.2
69.03432	18.6
69.07066	38.9
71.04970	8.3
71.08633	4.1
71.62808	4.6
73.02892	4.0
79.05500	16.8
81.03416	16.3
81.07061	100.0
83.04984	3.3
83.08614	24.4
85.02905	34.7
85.06520	12.6
87.00803	7.5
87.58671	2.8
91.05480	13.3
93.07043	32.7
95.04980	5.5
95.08604	85.7
97.02885	10.0
97.06554	5.6
97.10166	15.2
99.04447	6.0
99.08098	5.5
105.01859	12.1
105.07015	16.6
107.04978	7.0
107.08604	35.4
109.02871	7.4
109.06509	4.9
109.10154	50.1
109.34896	2.9
111.11714	8.8
119.08559	11.1
121.06483	4.7
121.10131	25.7
123.11725	30.2
127.03900	20.3
133.10121	11.6
135.04456	4.6
135.11682	18.7
137.05933	4.1
137.09651	4.1
137.13263	10.4
147.04387	8.8
147.11665	8.1
149.13271	28.7
151.14813	5.7
161.13226	5.2
163.03911	29.1
163.14877	16.8
164.04282	11.1
165.12741	3.9
181.04951	3.5
191.17873	4.5
203.17914	3.5
204.80360	2.9
217.19539	3.1
273.25836	12.6
279.26776	13.4
291.26797	30.6
295.06076	3.3
297.27917	10.4
309.27927	34.9
317.68097	3.0
326.09329	3.7
327.28757	4.1
328.15588	3.2
355.06876	5.7
420.42859	3.5
588.07642	3.4
593.29620	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	591.205
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75211	0.3
56.83914	0.3
65.03934	0.4
66.13138	0.3
71.04984	0.7
71.59245	0.4
71.59625	0.3
83.01112	0.6
83.04988	0.4
85.02910	1.4
91.05490	1.1
93.07044	0.3
95.01097	1.4
96.01873	0.5
97.06567	0.3
97.21397	0.4
103.05397	0.3
106.04169	0.4
112.01331	0.5
113.02118	2.0
119.04943	1.4
121.06509	0.6
137.05978	1.9
147.04416	3.4
149.06071	0.6
161.05984	0.4
163.03876	0.5
165.05492	0.6
185.04219	3.3
188.08087	0.3
201.03722	3.6
202.06073	0.9
203.05229	3.3
203.06741	0.3
209.08066	0.4
217.04752	1.3
228.63783	0.3
232.07071	12.0
233.07809	2.6
381.13043	3.9
411.14120	0.4
451.88986	0.3
487.04553	0.3
591.20477	100.0
592.20679	0.5
608.54889	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2754
Annotation	Pheophorbide a
Peak:m/z	Relative Intensity
55.05769	0.2
75.49918	0.2
88.30849	0.3
128.69617	0.2
156.88553	0.3
190.54832	0.3
192.16347	0.3
236.89668	0.3
237.44814	0.3
376.58496	0.3
389.17709	0.4
402.18573	0.4
403.19229	1.0
404.20157	0.6
405.20822	1.1
417.16373	0.7
417.21643	1.3
418.21548	1.4
419.22488	1.8
430.17776	0.5
431.18240	4.5
431.24164	0.4
432.19470	1.1
433.24164	3.4
434.24680	1.1
445.20013	6.5
446.20688	3.0
447.21664	4.2
448.22375	0.6
449.23309	0.3
459.21542	2.2
460.22568	9.5
461.23260	8.2
462.23901	1.0
463.21252	0.5
466.15939	0.3
473.24033	1.6
474.23859	0.9
476.25726	0.8
477.23010	1.0
487.25107	1.4
489.26443	0.6
491.24524	0.8
492.25522	1.5
493.26035	0.4
505.21973	5.4
506.22491	0.7
515.24292	0.5
518.23035	0.3
519.24042	1.0
520.24731	0.3
533.25488	25.9
534.25861	3.1
547.27148	0.3
561.25287	0.4
564.23505	0.7
565.27875	0.5
593.27551	100.0
594.27850	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	591.2041
Annotation	Unknow
Peak:m/z	Relative Intensity
64.25509	0.3
69.84129	0.4
69.84550	1.1
71.04979	0.4
83.01067	0.4
85.02897	0.9
90.86921	0.3
91.05479	0.7
92.14756	0.3
93.03410	0.3
93.07042	0.3
95.01080	1.3
95.04963	0.3
106.04168	0.6
112.01347	0.5
113.02128	1.9
118.12837	0.3
119.04966	0.6
121.06491	1.2
133.25545	0.2
137.05963	0.8
147.04424	0.8
149.05966	1.1
149.07332	0.4
151.03902	0.9
157.04770	0.5
163.03896	0.7
167.03192	0.5
177.05424	0.6
181.52132	0.2
185.04196	2.8
201.03706	2.6
202.06018	1.0
203.05254	9.8
203.07062	0.6
217.04660	1.6
232.07054	11.8
233.07794	2.0
290.78687	0.3
303.04996	0.7
381.13101	2.9
411.14212	0.6
591.20447	100.0
592.20801	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.3688
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56167	4.2
55.01868	25.8
55.05505	39.4
57.03427	15.2
57.07077	29.1
61.24389	3.6
63.59265	4.0
67.05502	100.0
69.03412	14.5
69.07080	32.6
71.04979	5.7
71.77183	3.8
73.02882	4.3
79.05495	85.7
80.06254	4.4
81.03409	35.8
81.07057	80.6
83.04962	18.4
83.08614	25.7
85.06536	7.8
86.06955	4.4
91.05484	96.5
93.07041	77.5
94.07827	6.6
95.04977	28.1
95.08605	56.5
97.06532	10.0
97.10172	9.2
98.21497	11.6
99.08120	4.2
105.07030	85.6
106.07824	7.4
107.04945	8.7
107.08598	52.1
109.06523	8.2
109.10166	39.0
111.08093	11.6
117.07018	51.0
118.07797	8.0
119.08577	68.8
120.09395	5.9
121.06505	10.8
121.10162	32.7
122.10931	5.2
123.08132	7.5
123.11715	8.0
125.09648	11.9
126.39323	4.2
127.11191	7.7
128.06224	9.1
129.07007	33.3
131.08568	73.7
132.09331	8.3
133.06473	6.5
133.10126	51.3
134.10933	5.1
135.08063	11.2
135.11693	23.4
137.09595	11.2
141.06976	7.9
142.07741	6.3
143.08525	27.7
145.06488	6.7
145.10121	46.5
146.10915	6.8
147.08012	6.5
147.11694	36.1
148.12392	6.3
149.09605	12.1
149.13243	10.8
149.68620	4.0
151.11140	4.3
155.08537	10.7
157.10101	32.8
159.07980	5.2
159.11697	41.9
160.12364	5.9
161.09598	6.3
161.13239	21.3
169.10139	16.7
171.06541	9.1
171.11696	18.8
173.13268	25.6
174.14037	6.6
175.11194	8.5
175.14839	7.8
183.11658	12.8
185.13300	18.1
187.14787	15.6
193.12228	10.8
197.13237	4.7
199.11247	4.6
199.14793	12.0
201.14819	15.9
201.16466	5.1
203.14462	4.7
213.16335	6.7
227.12682	4.4
227.18022	5.3
229.14351	6.6
240.53693	3.8
247.16960	7.1
255.15767	6.8
259.20395	9.1
261.22272	5.0
267.15866	20.0
275.20096	6.1
277.21707	8.4
287.20108	5.3
306.20657	4.8
335.25848	6.8
376.33658	4.8
380.24100	11.6
389.26993	8.1
417.30496	6.5
435.32416	12.0
496.36124	4.1
509.35626	7.0
514.36475	8.9
515.37292	8.1
516.38141	7.4
519.68793	5.4
526.36414	10.2
527.37329	66.8
543.36615	14.8
544.37494	18.6
572.35895	20.3
590.29126	13.2
590.37305	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	590.3687
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	5.7
55.01871	41.7
55.02137	1.8
55.05508	37.7
57.03428	11.3
57.07072	57.8
65.03934	5.0
66.04710	2.8
67.05502	85.4
69.03429	14.6
69.07068	29.1
70.10727	13.2
71.04992	3.3
71.08634	4.4
73.02924	5.4
78.04700	3.9
78.28513	2.3
79.05488	100.0
80.06261	12.3
81.03423	11.0
81.07056	78.3
83.04980	23.1
83.08617	18.0
85.06544	6.5
85.72584	2.2
91.05480	91.6
92.06258	9.6
93.07040	83.3
94.07829	9.2
95.04973	18.2
95.08608	53.0
97.06509	14.6
97.10160	7.1
98.07321	4.1
98.20907	3.2
99.08089	6.5
103.05527	2.9
104.06255	4.3
105.07030	76.3
106.07805	8.6
107.04932	4.4
107.08586	49.4
108.09373	7.9
109.06535	6.3
109.10163	27.0
111.08071	8.5
113.06029	3.8
113.09661	2.3
115.05418	3.5
117.05509	9.0
117.07014	42.7
118.07811	6.5
119.08577	63.4
120.09370	8.9
121.06492	5.2
121.10135	32.3
122.10863	3.5
123.08067	5.4
123.11680	4.6
125.09648	5.9
127.11189	18.8
128.06197	2.3
129.05447	4.0
129.06970	15.8
130.07799	3.2
131.08568	52.3
132.09335	8.1
133.06491	3.6
133.10136	55.6
134.10942	12.2
135.08023	4.9
135.11696	20.9
137.09637	5.3
137.13237	3.4
141.06998	3.8
141.09071	3.2
143.07040	3.5
143.08525	14.2
145.06520	3.3
145.10117	31.7
146.10916	8.3
147.08044	4.7
147.11682	31.2
148.12495	5.7
149.09630	5.5
149.13266	6.2
155.08598	3.4
157.08946	3.4
157.10094	13.2
158.05731	6.4
159.11702	24.9
160.12485	5.1
161.13252	15.1
163.11098	2.5
165.12852	3.5
169.10193	6.4
171.06555	16.4
171.11710	10.1
173.09694	3.1
173.13249	24.4
174.14081	3.3
175.14775	5.9
181.10182	3.9
183.11732	5.1
185.08148	4.7
185.11746	3.1
185.13306	8.9
187.14851	9.4
188.15674	4.5
189.12860	3.2
193.12401	3.0
197.13336	6.3
199.09654	7.3
199.14900	4.9
201.14853	21.1
201.16458	4.8
211.13216	3.0
211.14949	4.3
215.18071	2.9
219.13963	2.7
227.12801	5.5
242.20338	3.5
247.17041	16.4
253.14297	2.6
255.15794	15.4
261.22125	3.9
267.16040	3.3
272.33228	2.4
273.18585	3.2
275.20209	2.3
276.20917	4.0
281.17688	3.0
285.17175	2.7
287.20096	5.2
309.20746	3.9
311.22086	3.4
316.23987	4.8
317.24805	4.8
335.25845	10.4
351.25171	5.6
352.94031	2.5
376.25989	2.8
377.26901	4.1
389.26871	18.4
391.28622	5.5
405.30164	3.2
417.30148	9.8
459.34442	4.4
460.35556	5.5
509.36093	3.3
514.36865	2.6
515.37378	8.1
516.38208	4.1
527.37317	32.7
543.37408	2.7
544.37354	11.1
572.35504	3.1
590.29047	8.8
590.36841	19.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.3686
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	26.4
55.05507	45.6
57.03417	12.9
57.07066	30.5
67.05502	94.3
68.40189	7.9
69.03436	13.8
69.07063	38.8
70.00652	48.2
70.45853	9.4
76.43521	7.3
79.05498	86.9
80.06254	10.4
81.03410	16.5
81.07056	99.0
83.04944	14.1
83.08614	24.0
85.06530	10.9
90.41782	7.3
91.05487	100.0
93.07047	92.3
95.04971	30.6
95.08601	40.3
105.07040	72.8
106.07797	11.2
107.04907	8.5
107.08606	55.9
109.06564	11.1
109.10161	46.1
111.08065	10.6
117.06996	46.8
119.08602	65.5
120.09290	9.2
121.06506	12.2
121.10164	41.3
121.81741	8.2
123.08065	11.9
129.07033	21.7
130.07790	8.5
131.08588	66.4
132.09364	11.7
133.10179	52.6
133.11037	12.7
135.11676	27.1
143.08574	32.6
145.10095	40.4
147.11668	35.5
157.10170	14.0
159.11714	32.7
161.13251	15.5
169.10161	13.1
171.11688	22.5
173.13255	22.9
183.11688	17.5
185.07944	8.9
185.13271	17.0
187.14803	21.8
193.12399	9.2
201.14899	14.6
227.12717	9.1
229.14246	8.8
267.16162	11.9
465.10040	8.5
514.36743	14.3
516.38324	10.4
527.37433	94.8
542.94232	8.3
543.36462	12.3
544.37378	20.6
572.35754	12.2
590.36823	34.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.3687
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	7.8
55.01878	45.0
55.05269	3.3
55.05510	41.3
57.03420	10.3
57.07072	52.2
57.99210	3.0
58.16039	3.3
65.03942	8.7
67.05502	94.9
69.03412	15.5
69.07076	31.6
70.62509	7.4
70.62851	4.2
71.04979	3.6
78.04673	3.6
79.05064	6.0
79.05495	98.9
80.06266	15.4
81.03420	17.2
81.07056	79.2
83.04990	22.4
83.08607	12.2
85.06539	7.8
87.04436	3.2
89.35506	3.4
91.05483	100.0
92.06250	7.1
93.07047	92.9
94.07809	11.9
95.04995	20.6
95.08611	54.9
96.05762	4.8
97.06511	15.1
97.10136	7.5
99.08076	4.6
105.07031	86.0
106.07808	10.7
107.04924	7.0
107.08590	54.6
108.09393	8.5
109.06477	10.5
109.10154	26.5
111.08084	10.2
117.05478	11.2
117.07008	38.5
119.07783	5.6
119.08587	68.6
120.09354	11.9
121.06527	3.5
121.10158	38.8
123.08012	5.2
123.11712	6.1
125.09576	7.2
127.11167	16.4
129.07034	16.2
131.08562	53.7
132.09360	7.4
133.06400	3.6
133.10138	53.9
134.10893	14.3
135.08147	3.9
135.11722	23.8
137.09654	4.2
138.69409	3.2
141.06912	4.6
143.08553	16.1
145.10129	43.7
147.08061	5.1
147.11684	38.7
148.12469	7.6
149.09642	6.9
149.13242	12.6
155.08543	6.8
157.10088	15.7
158.05745	5.0
159.08005	4.3
159.11690	30.9
160.12476	3.5
161.13245	14.1
162.14186	3.5
163.11201	5.9
165.12740	3.3
166.48448	3.5
169.10094	6.5
171.06511	14.3
171.11671	10.3
173.13222	28.6
174.14058	6.2
175.11180	7.3
175.14774	7.7
181.23149	3.3
183.11601	6.3
185.08202	4.0
185.13237	5.1
187.14798	14.2
193.12279	3.9
197.13202	5.5
199.09674	4.8
199.14844	5.3
201.13081	4.9
201.14832	26.0
201.16441	5.5
213.11212	5.2
213.16464	4.6
229.14119	4.6
247.16949	17.0
255.15924	15.5
261.22256	5.2
267.15778	3.3
273.18405	3.8
276.20822	4.2
287.19904	3.7
307.19019	5.3
311.22263	7.3
315.23199	5.2
317.24704	4.2
334.67960	3.7
335.25809	9.8
351.25269	3.6
365.26968	4.4
389.26660	17.1
391.28323	5.2
417.30090	16.5
431.31363	4.4
459.34555	7.4
460.35281	7.4
515.37231	13.9
516.37854	8.0
527.37329	33.9
544.37811	18.8
590.36975	23.9
591.32629	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	588.3658
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06240	0.2
55.01301	0.2
56.05030	0.5
58.06603	0.4
60.07880	0.3
60.08163	5.2
71.07362	2.0
79.05479	0.5
81.07066	1.2
86.09702	28.5
91.05460	0.3
98.20743	0.4
98.98466	2.7
104.10743	3.0
105.12941	0.2
109.10181	0.3
114.14670	0.3
121.10177	0.3
125.00001	19.4
135.11655	0.3
143.01028	0.6
179.14348	0.3
184.07333	100.0
185.07597	0.4
219.28777	0.3
219.75526	0.2
227.30569	0.2
247.84512	0.2
261.54529	0.3
570.35461	1.3
588.36676	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	589.2255
Annotation	Unknow
Peak:m/z	Relative Intensity
66.08140	0.4
69.03428	0.6
71.05000	0.6
71.59190	0.5
71.59612	0.6
73.40099	0.3
79.05473	0.5
81.07061	1.2
83.01089	0.5
85.02904	0.9
91.05484	0.8
93.07084	0.7
95.01098	1.0
95.08630	0.9
96.01864	0.8
105.07026	0.8
107.04932	0.6
109.02855	0.4
109.10149	0.8
113.02146	1.7
119.08617	0.5
127.03949	0.5
133.10127	0.5
137.06003	0.6
157.04796	0.5
161.06056	0.8
163.03999	0.6
176.04463	1.6
184.05026	0.8
185.04202	2.9
185.05653	0.5
189.05151	0.9
201.03644	0.5
201.05161	1.8
215.06726	0.5
216.07565	13.1
217.08356	2.9
233.08131	0.5
249.47432	0.4
285.10229	0.6
379.13647	1.8
391.13586	0.6
395.12982	2.9
415.64694	0.4
427.17599	0.5
449.66541	0.4
498.05557	0.4
559.21106	0.5
589.22540	100.0
590.22601	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42810	0.6
55.01860	1.1
57.99628	0.7
59.05019	0.7
64.16835	0.6
67.05506	0.6
69.03415	0.8
70.84527	1.0
70.84852	0.9
71.05017	0.7
72.04506	0.9
79.05479	3.4
85.02890	1.9
86.09689	0.7
90.05537	1.3
91.05499	4.0
95.04928	1.2
95.08598	1.1
97.02872	1.2
103.05450	2.5
105.07031	11.4
107.04931	1.5
109.02898	1.2
109.06487	1.1
110.07108	0.7
113.05981	0.7
115.05446	0.8
115.81898	0.6
118.04207	3.6
119.04932	4.5
121.06525	1.9
123.08064	1.8
124.07584	0.8
127.03892	1.4
131.04915	3.4
133.06496	12.2
133.10152	3.0
135.04411	1.3
135.08093	1.7
137.05975	5.9
146.03542	0.7
147.04407	4.1
149.05968	2.0
150.06752	7.4
151.07573	3.5
152.08344	0.8
161.05978	2.4
163.03911	4.2
163.07509	4.1
165.05473	0.7
165.09123	8.8
167.07045	7.7
176.41077	0.7
178.06238	1.1
179.07040	5.1
184.09695	1.0
193.08600	43.1
202.10709	2.3
211.09653	100.0
212.10011	1.8
215.30376	0.7
215.85484	0.8
220.59166	0.6
239.89413	0.6
245.07938	0.8
328.13821	1.2
341.13742	2.2
364.16040	1.9
373.16412	0.9
445.34741	0.7
461.33533	0.7
471.26599	0.6
552.68164	0.6
589.18933	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.286
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.4
56.36086	0.4
56.96564	0.4
67.05494	0.8
69.03438	0.6
69.07043	1.3
69.63594	3.1
71.04987	0.5
73.02916	0.6
79.05466	0.6
81.03413	0.8
81.07058	2.3
85.02901	1.0
87.82451	0.4
91.05478	1.0
93.07032	1.6
95.04983	0.7
95.08595	0.7
97.02864	0.7
105.07005	0.7
107.04939	1.5
107.05657	0.4
107.08611	0.9
108.04465	0.5
118.06567	0.5
119.08535	1.0
120.08093	1.1
121.10146	1.4
127.03866	0.4
131.08539	0.5
137.13242	0.5
140.07112	2.3
147.04425	0.6
148.07567	3.6
157.10063	0.4
163.03873	1.2
168.06557	2.4
174.05530	0.5
198.09129	1.0
198.12863	0.6
199.08655	2.4
201.10255	0.6
213.10257	1.3
214.10989	0.9
215.11816	1.0
224.10704	0.5
225.10222	3.3
226.08788	1.0
226.12363	0.6
227.08133	1.4
227.11777	5.7
228.12529	0.7
229.09686	0.5
239.11703	0.5
240.08963	0.5
241.13399	1.2
242.10536	1.4
243.11223	1.3
243.14836	1.0
246.29636	0.5
252.10167	0.7
253.13371	0.5
255.11261	11.8
263.12692	0.8
269.12839	4.1
271.14413	1.2
273.15387	0.5
287.13928	5.0
297.12347	4.5
299.13889	3.3
315.13379	100.0
316.14185	5.0
317.14890	0.6
335.64148	0.9
338.98199	0.4
527.29144	0.6
569.27594	0.7
587.28955	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.249
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.3
55.01868	3.5
65.03941	2.7
67.05521	1.3
70.06567	1.2
70.71987	1.0
70.72311	3.2
71.05003	2.0
75.04478	4.0
78.04717	2.8
79.05492	3.1
85.02909	5.5
87.92816	1.1
91.05475	10.7
93.03400	13.0
93.07055	6.2
95.04976	5.3
97.02906	5.2
97.06532	3.3
103.05466	5.1
105.07043	1.7
106.04169	28.3
107.04955	2.0
109.02860	1.2
109.06550	1.2
109.10088	0.9
117.03352	1.0
117.07053	1.2
118.66988	1.0
119.04906	2.1
121.06504	29.0
123.04454	1.0
124.05221	1.2
125.05992	9.8
131.04950	2.4
133.06442	2.4
134.03624	4.6
135.04391	1.0
137.05972	10.0
138.06703	1.1
139.07512	2.9
145.02895	1.9
147.04419	4.2
148.05128	2.6
149.05980	43.8
151.07527	2.0
153.05455	1.9
153.09111	12.2
161.05983	3.5
163.03909	2.0
163.07552	4.5
165.09076	1.3
167.07025	2.7
177.05469	22.9
179.07083	2.6
181.08585	19.5
181.10184	1.4
184.07356	1.4
191.07011	2.3
193.08601	5.4
209.08087	100.0
217.08528	1.4
309.11053	1.5
339.12219	3.0
341.13895	2.8
353.14191	1.2
357.13315	1.9
371.15079	2.7
576.13184	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33155	0.5
54.23025	0.5
55.01855	1.1
57.03421	0.6
65.03940	6.8
67.05489	1.7
69.03418	0.8
71.04993	0.8
71.61221	0.7
73.02888	0.5
78.04702	0.7
79.05486	2.7
81.07046	1.3
81.69141	0.5
82.04188	1.2
82.33080	0.5
85.02908	1.4
91.05471	2.1
92.79334	0.9
93.03378	1.9
93.07036	1.1
95.01311	1.2
95.04951	1.9
95.08600	0.9
97.06520	0.8
103.05453	0.6
105.07018	1.2
105.48549	0.5
107.04959	3.7
107.08597	0.6
108.02049	1.0
109.02887	0.9
110.03668	6.5
111.04440	8.5
116.98558	0.6
121.02875	4.8
121.06535	1.2
123.04424	2.1
123.08035	0.6
124.05196	1.2
125.05992	7.7
133.06461	1.2
133.10104	0.5
135.04388	1.8
137.05946	3.6
138.03148	0.8
143.08649	0.7
145.06464	0.9
147.04376	1.2
149.02324	1.3
149.05965	2.1
151.03900	21.8
151.04987	1.0
151.07524	1.2
152.04605	0.6
153.05467	19.7
154.05736	0.8
159.08012	1.2
161.05946	3.9
161.09596	1.3
162.06717	0.9
163.03893	1.1
165.05461	1.7
165.06931	1.2
167.07039	58.4
175.07512	1.7
177.05452	0.9
178.06235	1.1
179.07085	1.1
179.08601	0.6
181.04897	1.5
181.06421	1.3
181.08600	1.0
182.07275	1.1
183.01978	0.5
183.07982	0.8
187.07463	0.8
188.08267	0.8
189.09119	1.4
193.06836	0.5
193.08606	2.6
195.06465	1.4
195.08090	1.4
195.10103	0.7
197.05904	0.7
197.09659	1.0
205.08461	0.6
207.08194	0.7
207.10190	0.9
209.08090	0.9
210.06770	1.6
211.07567	1.3
211.09613	1.1
212.08282	0.8
219.10149	0.9
221.06024	1.3
221.09665	1.4
222.06802	1.0
223.07520	2.0
223.11264	0.7
224.08296	1.5
225.09116	2.2
227.07048	1.8
227.10654	1.2
235.07439	1.2
236.08218	1.0
237.05380	0.8
237.09108	2.2
238.06291	1.3
238.09802	2.6
239.07074	2.6
239.10643	1.4
240.07845	5.5
241.08571	1.2
249.05507	0.6
249.09071	1.9
249.11191	1.3
251.07082	1.5
251.10632	1.0
252.07697	2.0
253.08578	12.1
253.12193	4.6
254.09377	1.8
255.06573	1.7
255.10098	3.3
257.07968	1.4
265.08551	1.3
266.09320	2.2
267.10138	2.0
268.07404	2.1
269.08127	3.2
270.09134	1.1
270.11871	0.6
277.08679	1.0
279.06546	0.6
279.10129	0.9
279.75595	0.6
281.08112	3.4
281.11703	4.5
282.08911	1.3
283.09598	4.9
283.12790	0.8
284.10410	2.5
285.11215	2.8
285.14896	1.4
288.10013	0.9
291.09961	0.8
294.08948	1.3
295.09732	3.0
296.10364	1.2
297.07629	0.6
297.10956	1.1
298.11993	1.4
299.12756	5.3
300.09976	0.7
309.11200	5.4
310.11942	2.1
313.10696	8.4
313.14325	4.1
319.43311	0.6
325.10605	0.8
326.11398	1.2
327.12256	21.8
328.12924	1.2
329.13712	0.7
331.15305	2.6
335.47568	0.6
339.12399	0.9
340.13120	0.7
341.13776	3.1
353.13815	0.9
357.13330	2.0
358.13745	0.6
359.14877	100.0
360.15387	2.1
361.16544	0.9
371.15005	5.9
372.15720	0.8
375.14285	3.3
381.13266	0.6
389.15915	0.7
505.18091	1.1
554.12103	0.6
585.28986	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	585.233
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32386	1.8
53.03952	2.7
53.77939	1.8
55.01884	2.2
56.42651	1.8
57.42432	1.9
65.03941	4.9
67.17674	1.7
67.28712	1.9
68.93975	1.8
69.03428	2.2
70.06613	2.7
71.04982	9.1
71.59655	3.6
74.09778	2.0
75.84190	1.6
77.56022	1.8
79.05496	7.9
81.03428	3.3
81.07049	2.8
85.02912	10.0
91.05474	18.5
93.07062	3.6
95.04951	4.9
97.02912	3.3
103.05470	10.7
105.07021	4.1
107.04948	21.0
109.02918	2.6
109.06495	2.3
110.03674	3.0
111.04462	5.4
111.08086	1.9
115.05434	9.4
117.07017	3.9
119.04939	8.8
121.02868	20.0
121.06506	6.1
123.04429	4.8
124.05256	4.0
125.06007	6.2
126.10271	3.1
129.06992	3.5
131.04947	13.0
132.05672	3.4
133.02866	5.7
133.06490	4.6
135.04417	3.6
137.05994	21.4
139.28427	2.0
143.04936	8.1
144.05739	3.4
145.06552	2.8
146.07242	2.4
147.04390	15.9
147.08035	5.2
149.05989	4.9
151.03903	3.4
151.07547	3.0
152.04665	3.0
153.01801	2.2
153.05460	29.1
155.07022	2.3
157.06499	3.7
159.08051	3.8
160.05180	10.8
161.05989	9.1
162.19295	2.3
163.03923	3.4
163.07565	6.4
165.05530	4.3
165.06941	3.6
166.07753	2.1
167.07043	98.2
171.07997	3.0
173.06108	1.9
175.03972	2.0
175.07564	31.4
177.05475	33.0
177.06870	2.1
178.07785	8.3
179.07034	10.1
179.08528	4.3
181.04929	6.7
181.06377	3.4
187.07513	18.8
189.05501	6.7
189.07008	5.0
189.09079	3.8
190.07738	4.9
191.07047	17.3
191.08546	6.3
192.07892	4.4
193.05022	2.9
193.06680	2.4
193.08569	4.4
193.10185	2.6
194.07295	4.3
195.08089	5.9
197.05991	2.7
199.07524	2.9
202.07831	2.6
203.06961	2.8
203.08643	6.3
205.06511	10.0
206.07278	7.1
207.06505	19.5
207.08138	7.9
208.08908	4.7
209.09691	5.5
211.07565	5.3
217.06647	3.2
217.08540	3.7
218.07298	7.5
219.08070	12.3
220.08842	6.5
221.05966	8.0
221.09669	12.7
222.06842	2.8
223.07584	6.4
224.08298	3.7
225.07524	5.1
231.08022	8.9
232.08783	2.5
233.05951	4.9
233.09552	3.9
234.06868	9.5
235.07532	14.5
236.08319	11.0
237.05553	2.6
237.09093	12.2
238.09972	3.2
239.07100	4.2
239.10754	4.2
246.06770	3.6
247.07527	8.5
248.08310	7.5
249.05457	4.7
249.09134	22.8
250.06297	3.1
250.09924	4.9
251.07051	9.0
251.10707	7.0
252.07756	10.2
253.08565	12.9
261.05673	2.0
261.09073	8.4
262.06329	3.5
263.07019	10.4
263.10583	2.6
264.07883	16.7
265.08658	15.1
266.09271	4.8
267.06375	3.5
267.10202	8.7
268.07251	2.5
269.08124	3.6
269.11609	3.6
276.07861	5.7
277.08609	16.4
278.09381	6.7
279.06845	3.8
279.10168	16.1
280.07397	4.8
280.10736	4.5
281.08609	10.5
281.11389	11.0
282.08774	6.0
283.09631	5.7
287.05603	3.8
289.08548	4.4
291.10153	7.1
292.07324	6.2
293.08096	9.8
293.11047	2.6
294.08710	10.0
295.09592	37.2
296.10349	11.8
297.08188	2.4
297.11209	10.5
303.05075	6.9
306.08990	4.4
307.09628	18.9
308.10355	6.3
309.07675	3.6
309.11121	32.4
310.11896	3.5
311.12610	12.4
313.10718	2.9
319.09692	3.2
321.11264	5.4
323.12744	3.4
324.10037	4.7
325.10751	23.0
326.11472	4.8
327.12274	44.7
329.13834	35.5
337.10794	4.0
339.12280	100.0
340.12946	10.5
341.13843	45.8
351.12299	12.4
353.13849	3.3
357.13339	55.3
359.14706	4.5
361.02283	7.6
362.02725	3.3
369.13306	64.2
371.14819	22.7
387.14273	3.6
411.14282	3.6
443.17087	6.6
585.28900	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	585.2329
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52806	1.0
53.03933	1.7
55.01862	2.4
65.03922	2.4
67.05486	1.1
69.03426	1.3
71.04974	1.1
71.20988	1.7
71.21313	1.7
79.05486	6.7
81.07054	1.1
84.35229	1.2
85.02885	1.2
91.05486	12.2
93.03415	1.9
93.07014	2.1
95.04993	5.5
103.05465	8.7
105.03384	1.1
105.07017	4.2
106.80811	1.3
107.04957	16.0
109.06494	1.8
110.03667	2.6
111.04424	4.1
115.05438	8.3
117.06997	2.1
118.04163	1.5
119.04951	10.7
121.02872	3.6
121.06472	4.7
122.03659	1.7
123.04435	3.3
124.05198	3.3
125.05979	6.0
129.06934	1.1
131.04919	11.2
132.05704	2.7
133.02849	4.7
133.06485	3.7
134.03651	1.7
135.04364	1.9
135.08099	1.6
136.05170	1.3
137.05975	18.4
143.04921	4.7
144.05670	1.5
145.06453	2.8
146.03587	1.4
147.04399	15.3
147.08061	4.6
148.05174	1.3
149.05951	6.0
151.03893	3.6
151.07516	4.0
152.04657	2.4
152.06096	1.1
153.05450	28.2
153.06749	1.6
153.09108	1.1
155.04868	1.4
157.06450	1.0
159.04427	1.6
159.08090	2.6
160.05176	5.6
161.05983	9.8
162.06633	1.3
163.03931	2.1
163.07532	6.8
165.05537	2.1
165.06995	3.8
166.07826	2.3
167.07033	100.0
168.07359	1.8
173.05963	1.6
175.03954	1.2
175.07549	17.0
176.04712	2.3
177.05478	21.9
177.06873	1.2
178.06198	1.5
178.07750	8.2
179.07022	8.7
179.08563	4.5
181.04988	1.7
181.06519	4.3
182.07179	1.2
183.08035	1.2
185.06032	1.2
187.07462	8.6
189.05444	6.4
189.07002	4.3
189.09015	1.4
190.06148	1.2
190.07741	3.5
191.07031	13.8
191.08588	5.8
192.07765	3.8
192.09360	1.4
193.06520	2.9
193.08600	2.7
194.07280	5.0
195.08064	4.0
196.08942	1.3
199.07542	2.9
202.07796	4.0
203.06998	3.9
203.08563	3.8
205.06499	6.4
205.08611	2.8
206.07234	8.2
207.06514	20.6
207.08110	5.1
208.05115	1.3
208.08813	3.9
209.05925	2.1
209.09634	3.4
211.07576	2.3
216.07474	1.4
217.06543	2.2
217.08507	1.4
218.07304	4.9
219.08055	12.7
220.05449	1.2
220.08754	4.7
221.06152	6.0
221.09628	8.6
222.06825	2.4
223.07530	6.1
224.08342	5.5
225.07288	1.4
225.09282	2.6
227.07008	1.7
231.08133	6.2
232.08856	1.8
233.05884	4.9
233.09634	2.6
234.06712	9.2
235.07552	10.0
236.08351	7.7
237.05429	1.5
237.09113	11.3
238.09818	2.2
239.07098	5.6
239.10664	3.9
246.06573	1.7
247.07571	8.8
248.08275	7.7
249.05424	2.5
249.09085	12.9
250.06236	3.4
250.09975	2.9
251.07030	7.6
251.10657	9.8
252.07779	5.9
253.08588	12.9
254.09305	2.3
255.10222	1.4
259.07343	2.2
260.08261	2.3
261.05499	2.5
261.09055	3.6
262.06253	3.6
263.07025	8.7
263.10608	2.5
264.07837	16.8
265.08578	14.6
266.09305	5.8
267.06534	3.9
267.10132	7.0
268.07526	1.6
269.11725	3.1
270.08740	1.1
275.06937	1.6
276.07773	7.1
277.05472	1.6
277.08566	14.7
278.09338	6.2
279.06500	4.0
279.10150	14.9
280.07425	1.8
280.10886	2.7
281.08078	8.7
281.11688	6.4
282.08752	5.5
283.09579	3.8
289.08646	4.8
291.10031	4.4
291.13055	1.2
292.07254	4.7
293.08057	8.8
293.11429	1.9
294.08826	7.8
295.06235	2.0
295.09607	29.4
296.10352	12.3
297.11026	6.9
299.12494	1.4
305.08093	1.2
306.08832	4.0
307.09616	22.1
308.10437	6.7
309.07465	3.0
309.11169	24.7
310.08398	1.8
310.11902	2.8
311.08954	3.1
311.12790	9.6
312.09921	1.5
313.10660	2.1
319.09711	5.3
320.10306	1.7
321.11075	6.6
323.09039	1.3
323.12769	2.6
324.10132	5.1
325.10718	21.7
325.14334	2.4
326.11453	3.9
327.12250	40.0
328.12936	1.7
329.10199	1.7
329.13840	21.7
337.10645	3.4
338.11386	1.7
339.12259	92.8
340.12961	6.8
341.13843	27.5
342.14261	1.4
351.12247	16.3
353.13785	4.4
357.13315	40.2
369.13297	53.1
370.13794	3.1
371.14911	12.7
387.14319	5.1
442.55768	1.3
535.48895	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.4223
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62619	2.3
53.03941	2.8
54.39657	2.8
55.05505	5.3
57.07060	9.6
62.88176	2.4
67.05492	7.8
69.03429	7.1
69.07047	8.4
69.14872	2.3
69.27232	29.7
79.05486	16.6
81.07063	18.1
83.04968	2.6
85.06535	2.8
89.06010	3.5
91.05488	26.3
93.07037	37.1
95.04945	7.5
95.08606	21.1
95.80105	2.5
97.06540	3.0
103.05478	2.6
105.07031	48.0
107.08595	33.1
109.06499	7.6
109.10178	12.8
110.38506	2.7
115.05450	3.4
117.06992	15.4
119.08581	69.3
121.06458	4.3
121.10130	23.2
123.08051	11.6
125.05991	3.2
128.06169	6.7
129.06978	12.3
130.07771	6.2
131.08565	33.6
133.10136	31.7
134.07327	2.6
135.08047	7.7
135.11676	13.7
137.09583	8.7
139.14507	3.1
141.06990	3.8
142.07762	13.1
143.08559	26.5
144.04694	2.3
144.09302	9.3
145.10118	42.1
146.10748	2.9
147.08018	8.3
147.11681	10.3
149.09627	6.6
149.13258	2.9
151.07503	5.4
155.08585	13.2
156.09340	13.6
157.10120	40.7
158.10950	5.8
159.08023	4.6
159.11688	27.1
161.09602	3.4
161.13235	7.2
163.11134	6.1
165.06964	4.9
165.09151	29.0
166.07858	3.2
167.08543	5.6
168.09360	5.7
169.10129	13.4
170.10855	7.3
171.11659	20.4
172.12437	8.0
173.09660	4.6
173.13269	16.0
174.10365	2.6
175.11192	12.2
175.14804	4.7
177.12750	3.1
179.08525	6.8
181.10149	9.4
181.12131	6.1
182.10851	7.9
183.11676	16.2
185.13223	17.2
186.14011	3.1
187.11137	3.6
187.14880	5.1
189.12769	3.8
190.13531	4.9
193.10263	5.4
193.12221	6.8
194.10916	3.1
195.11774	12.0
196.12523	4.0
197.13245	18.2
198.10289	4.0
199.14833	4.6
201.12723	5.5
203.14381	12.8
207.11694	6.9
207.13809	6.8
208.12453	4.6
208.14406	4.6
209.13322	12.6
209.15147	2.4
210.13828	3.1
211.11267	2.9
211.14822	4.4
213.12823	4.0
219.11691	2.7
221.13231	6.3
221.15338	38.6
223.14795	9.1
224.15369	3.0
225.16399	4.8
227.14352	4.5
229.15906	2.7
233.13246	6.2
234.13976	3.4
234.16083	6.0
235.14760	4.8
237.12718	4.4
237.16258	4.0
242.38760	2.6
247.16994	9.5
249.16405	2.8
251.14339	4.5
251.18065	4.0
253.15845	5.0
261.16245	3.3
281.19318	3.3
296.21255	3.7
299.20044	8.8
300.29233	3.1
312.24438	3.5
325.21497	7.9
337.21475	5.8
352.23914	54.7
365.24689	11.0
398.28134	5.4
404.30618	4.2
412.29913	16.3
438.31116	12.6
474.34839	3.7
491.35361	9.5
492.35379	6.1
504.35974	100.0
569.39636	3.1
584.42279	22.8
584.56421	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	584.4223
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.1
55.05500	6.2
57.07071	9.0
65.03960	2.4
67.05499	13.8
68.01792	2.0
69.03407	4.3
69.07058	6.3
71.51970	3.7
79.05492	14.0
81.07060	23.9
83.05004	2.1
83.08614	3.5
85.06542	4.9
89.06038	3.2
91.05476	28.2
93.06484	2.1
93.07047	35.2
95.04948	9.1
95.08137	2.2
95.08615	21.8
97.06517	3.0
103.05473	2.1
105.07034	54.5
106.07813	3.1
107.08601	25.6
109.06492	8.1
109.10160	11.9
115.14919	2.1
117.07011	16.4
119.08577	64.3
120.09321	2.5
121.06505	5.8
121.10152	22.6
123.08072	8.6
123.11686	3.2
124.17796	1.7
125.05963	2.9
128.06197	4.5
129.07024	15.2
130.07817	5.0
131.08562	35.2
132.09325	2.6
133.10123	32.5
135.08057	11.0
135.11690	9.7
137.06062	1.8
137.09627	7.9
139.07504	2.4
141.06963	4.5
142.07788	13.1
143.08560	25.9
144.09297	8.4
145.10112	44.7
147.08060	17.0
147.11719	11.4
149.09604	6.0
151.07516	5.3
151.11113	2.2
153.06943	2.9
154.07768	2.9
155.08554	12.5
156.09383	11.4
157.10126	38.7
158.10851	7.7
159.08047	3.6
159.11691	27.9
161.09616	6.1
161.13245	6.6
163.11197	6.9
165.06985	3.0
165.09103	24.0
166.07684	2.0
167.08548	5.1
168.09325	3.2
169.10115	17.5
170.10858	7.2
171.11671	22.2
172.12405	7.0
173.09651	4.4
173.13232	17.3
175.11258	9.3
175.14835	10.0
177.12762	4.2
179.08508	4.1
179.44458	2.1
180.09306	3.5
181.10123	11.4
181.12247	5.6
182.10933	5.9
183.07997	2.3
183.11687	17.9
184.12390	5.5
185.09612	2.8
185.13246	14.4
186.14027	2.3
187.14792	6.5
189.12692	5.7
190.13564	4.1
191.14168	2.3
192.09373	2.2
193.10106	5.6
193.12248	6.3
194.10901	4.0
195.11734	12.4
195.13336	1.9
196.12360	6.8
197.09598	2.7
197.13260	16.7
199.11172	5.1
199.14830	5.8
201.12770	3.5
201.16428	3.3
203.14326	10.9
206.10875	4.1
207.11726	7.8
207.13855	6.1
208.12607	2.3
208.14526	5.5
209.13275	12.1
210.14032	3.7
211.11218	4.2
211.14780	8.3
213.12793	2.6
215.14288	4.3
217.15990	2.2
219.11743	3.0
219.13800	4.1
220.12531	2.6
221.13249	6.1
221.15341	44.7
222.13939	3.0
223.11116	2.1
223.14812	11.9
225.12582	2.6
225.16371	4.9
229.15796	3.5
234.16139	6.0
235.14731	3.6
237.12758	3.8
237.16348	3.9
239.14146	2.2
245.13107	2.2
247.14742	2.3
247.16917	9.4
249.16391	3.1
251.18057	2.7
259.17087	2.6
265.19290	1.9
271.20618	2.7
277.15872	3.6
279.21057	1.9
281.18839	2.8
283.20383	4.0
296.21082	3.0
299.20020	7.1
300.20844	3.4
325.21829	10.1
337.21625	5.6
352.23947	60.8
365.24817	9.1
376.27640	2.4
391.26114	3.3
397.27582	2.4
398.27957	3.8
404.30698	5.9
412.29861	12.1
425.30261	4.4
438.31241	16.8
477.33575	2.2
489.33453	4.7
490.11938	2.0
491.35242	10.6
492.35635	7.4
504.35999	100.0
505.36465	2.4
566.41455	2.2
569.39832	3.3
584.42517	20.1
584.55548	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	584.2701
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.2
55.01865	0.2
55.05510	0.2
61.02916	0.2
62.14742	0.2
64.60715	0.1
67.05496	0.3
69.03423	0.4
69.49440	0.1
71.04990	0.2
71.24753	0.2
71.25092	0.3
73.02910	0.2
73.59620	0.1
77.03939	0.1
78.04714	0.6
79.05498	0.8
81.03410	0.4
81.07050	0.3
85.02901	1.5
88.85342	0.1
91.05476	0.6
93.07037	0.4
95.04977	0.5
95.08580	0.2
97.02884	0.5
103.05464	0.6
105.03359	0.1
105.07024	1.0
106.04147	0.3
107.04976	1.3
109.02909	0.3
114.34061	0.1
115.05459	0.3
115.52660	0.1
117.06976	0.2
118.04132	0.2
119.04931	0.2
121.06507	0.6
122.03634	0.3
123.04419	2.0
124.05205	0.9
125.05978	0.2
127.03885	0.4
127.96578	0.1
131.04921	0.7
132.05247	0.3
133.06506	0.8
134.03592	0.1
137.05974	2.2
138.06320	0.6
145.04982	0.1
145.06461	0.3
148.05202	0.2
149.05936	0.9
151.03912	2.5
151.07603	0.2
152.04613	1.1
154.06248	0.2
160.05235	0.2
161.05981	1.2
163.03865	0.3
163.07600	0.7
164.07932	0.2
165.05557	0.2
166.06221	0.2
167.07031	100.0
168.07359	0.9
173.06007	0.2
175.07544	0.3
177.05447	0.1
179.07001	0.6
181.04910	0.5
181.08574	0.9
191.06993	1.6
192.07330	0.8
193.08597	5.0
195.10211	0.2
205.08588	0.2
207.06520	0.2
207.10101	0.2
211.09650	18.5
217.08594	0.2
221.07912	0.1
233.07954	0.2
235.09618	0.2
239.09091	0.3
241.10695	0.2
251.09256	0.2
263.09052	0.2
295.11746	0.2
319.11731	0.2
368.31931	0.1
387.14191	0.3
388.14523	0.5
411.84708	0.2
576.99054	0.2
584.21918	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4146
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	4.2
55.01862	1.8
55.05295	1.4
55.05514	15.2
55.90714	1.1
57.07083	10.1
59.04990	3.4
60.66465	1.2
61.60503	1.2
64.29524	1.2
65.03950	2.1
67.05505	22.0
69.03423	7.5
69.07068	20.4
69.33772	12.7
71.05012	1.5
77.03939	2.3
79.05497	27.2
80.24068	1.1
81.06579	1.8
81.07058	36.8
83.04998	8.6
83.08632	11.0
85.06548	7.6
86.31084	1.4
87.04459	1.5
91.04904	1.7
91.05482	43.5
93.07041	59.4
95.04979	12.3
95.08044	2.4
95.08614	35.9
96.90060	1.1
97.06512	6.9
97.10152	2.5
103.05485	4.4
105.07030	73.6
107.07864	2.5
107.08595	53.3
108.15919	1.1
109.06535	11.4
109.10164	25.3
111.08090	4.5
113.09644	1.7
115.05441	4.3
116.06210	1.7
117.07030	19.8
119.08585	80.2
121.06501	8.1
121.10147	62.0
123.08069	17.5
123.11727	7.0
125.06011	2.4
125.09639	3.5
128.06227	13.7
129.07021	17.8
130.07780	7.1
131.08566	35.6
133.06509	2.8
133.10129	44.2
135.08069	9.2
135.11699	16.1
137.09622	8.1
137.13289	2.9
139.11169	4.4
141.06984	9.7
142.07785	27.0
143.08568	38.7
144.09367	7.0
145.06499	1.6
145.10124	54.8
147.08049	10.1
147.11699	19.2
148.12265	1.4
149.09624	13.3
149.13260	3.3
151.07542	13.3
151.11104	1.2
153.06981	6.0
153.09081	1.3
154.07756	2.4
155.08551	20.1
155.10579	1.5
156.07280	1.3
156.09357	20.6
157.10132	58.3
158.10901	9.4
159.08076	5.9
159.11696	31.1
161.09642	6.1
161.13271	9.0
163.11188	7.9
163.14828	1.8
165.07027	8.5
165.09134	15.1
166.07777	4.0
167.08569	12.6
167.10684	27.8
168.09373	11.1
169.10132	32.9
170.10912	11.3
171.11685	36.4
172.12413	1.9
173.09601	3.8
173.13260	30.5
175.11208	3.3
175.14853	9.7
177.09154	1.8
178.07811	1.8
179.08554	15.0
180.09337	8.1
181.10139	18.8
181.12230	6.5
182.10893	8.4
183.11690	31.5
184.12460	5.8
185.09666	2.5
185.13271	19.7
186.13943	1.5
187.11250	2.7
187.14809	7.7
187.98306	1.2
189.12708	7.2
191.08542	2.2
191.14322	9.5
192.09343	3.6
193.10147	16.2
194.10927	12.8
195.11710	24.5
196.12337	7.1
197.09543	2.3
197.13251	24.2
198.14064	2.0
199.11116	1.9
199.14804	17.4
201.12814	1.8
201.16327	5.7
203.08633	1.5
203.14310	5.9
205.10165	4.2
205.15901	2.5
206.10858	9.5
207.11728	21.4
207.13834	6.5
208.12418	7.9
209.13272	29.5
209.15323	2.0
210.13829	3.6
211.11107	1.7
211.14827	15.9
212.15494	1.4
213.12793	2.9
213.16307	6.2
215.14334	5.0
217.10196	4.4
217.15895	12.8
218.10857	3.1
219.11769	7.4
219.17392	1.6
220.12445	6.1
221.13268	17.2
221.15413	27.7
222.14001	5.5
223.14835	16.0
224.15523	1.9
225.12787	1.5
225.16391	7.1
227.14427	3.3
229.10179	2.8
231.11705	5.6
231.17491	2.8
232.12425	4.8
233.13255	12.1
233.15431	10.2
234.14066	5.6
235.14784	13.1
235.16920	1.5
236.15643	4.2
237.12759	2.7
237.16333	11.3
239.14323	2.8
239.17943	5.8
241.15839	2.1
243.11690	4.2
243.17545	2.0
244.12497	3.4
245.13257	7.7
246.14072	6.2
247.14870	11.5
247.17052	2.0
248.15611	4.3
249.16394	12.4
250.17097	1.5
251.14584	1.2
251.15469	1.3
251.17915	8.2
253.15898	2.1
253.19456	2.3
254.10776	1.2
255.17514	2.4
257.13269	2.6
257.18954	7.8
258.14084	3.4
259.14880	7.4
260.15591	5.9
261.16330	9.5
262.17157	2.9
263.14304	1.3
263.18011	8.4
265.16238	1.0
265.17078	1.3
265.19525	8.8
269.18900	6.2
270.14069	2.3
271.14832	3.5
271.20618	1.3
272.15598	2.3
273.16248	7.5
274.17017	2.3
275.17960	12.7
277.16013	1.2
277.19614	4.2
279.17596	2.5
279.21094	1.9
281.18927	2.9
283.15170	1.8
283.20578	17.1
285.16132	2.5
285.18930	2.0
287.17917	3.8
288.18713	2.3
289.19540	4.6
290.20126	1.5
291.21069	3.6
293.18979	3.0
295.20529	4.0
297.16464	2.3
297.22076	2.3
299.17661	2.5
301.19455	2.8
307.20557	2.2
309.22198	2.4
313.19327	1.9
315.20926	1.8
317.22653	2.0
325.19354	1.4
329.22601	3.9
331.24310	5.4
333.22125	4.2
335.23642	2.3
341.22684	2.1
343.24387	1.8
345.22009	1.5
347.23636	3.0
349.25217	9.2
357.25925	2.1
361.25369	4.1
365.24777	1.7
373.25327	2.2
375.26901	4.2
403.29993	3.7
425.28671	1.6
427.30017	1.6
491.35046	2.7
503.34839	1.9
509.34238	2.7
547.39374	4.8
565.40521	19.7
583.41431	100.0
584.41791	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	583.4146
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.2
55.01848	1.3
55.05515	10.8
57.03445	1.8
57.07080	9.9
57.40442	1.3
59.04998	3.7
65.03944	4.0
67.05502	19.9
69.03430	7.5
69.07066	16.5
71.60991	1.2
71.61394	2.3
79.05488	17.5
81.07056	31.0
83.04961	5.9
83.08614	6.1
85.06535	4.6
91.05477	38.9
93.07036	48.9
95.04961	9.0
95.08601	33.3
97.06528	5.8
103.05485	4.1
105.04481	2.3
105.07030	61.4
107.08595	43.7
107.09293	2.7
109.06500	8.8
109.10159	17.6
111.08111	1.6
115.05453	4.5
117.07011	14.2
119.08582	66.5
120.58174	1.3
121.06477	4.7
121.10142	40.9
123.08080	14.7
123.11713	6.0
125.06001	3.2
125.09618	2.4
128.06195	10.2
129.07014	11.3
130.07790	6.0
131.08560	26.4
133.06497	2.2
133.10126	37.2
135.08066	8.7
135.11702	11.1
137.09624	8.9
139.11217	2.0
141.07007	6.3
142.07780	22.4
143.08565	34.3
144.09314	6.0
145.06514	2.6
145.10120	47.0
147.08034	16.7
147.11655	13.2
149.09639	5.7
149.13251	2.6
151.07547	13.4
151.11278	1.8
151.51343	1.6
153.07033	3.5
154.07765	2.6
155.08545	13.5
156.09317	13.9
157.10123	50.7
158.10902	5.8
159.08086	5.2
159.11697	23.7
161.09628	4.0
161.13213	7.2
163.11203	5.3
165.06987	6.1
165.09105	28.9
166.07797	2.7
167.08548	10.9
167.10692	13.4
168.09392	6.5
169.10112	27.0
170.10922	6.7
171.11678	25.8
173.09622	2.1
173.13252	25.4
175.11258	2.1
175.14830	8.8
177.09050	1.9
177.12813	1.6
179.08533	13.5
180.09322	5.8
181.10149	13.2
181.12254	6.0
182.10857	8.9
183.11693	26.8
184.12444	6.8
185.09627	2.4
185.13251	18.0
187.14786	7.2
189.12776	4.8
189.16522	1.9
191.08614	2.0
191.14328	8.0
192.09352	6.6
193.10106	14.7
194.10860	9.0
195.11676	21.1
195.13420	2.2
196.12454	6.6
197.13245	19.7
199.11250	2.7
199.14790	16.2
201.12952	1.5
201.16495	3.1
203.14351	11.2
205.10226	4.2
205.15883	1.6
206.10947	5.5
207.11725	15.4
207.13861	6.5
208.12456	7.9
209.13251	23.7
209.15089	2.1
210.14070	3.1
211.14844	9.5
213.12833	2.4
213.16434	4.7
215.14221	2.2
217.10136	3.5
217.15889	10.7
218.10864	3.5
219.11757	7.4
220.12560	6.1
221.13266	13.8
221.15422	54.6
222.13898	3.2
223.14787	13.1
224.15588	2.0
225.12813	1.5
225.16425	6.1
227.14299	3.1
230.11023	1.6
231.11787	6.2
231.13994	2.3
231.17450	2.1
232.12553	4.5
233.13257	9.8
233.15446	6.3
234.14034	4.6
235.14803	11.8
236.15526	2.4
237.12773	2.4
237.16467	5.9
238.16969	1.8
239.18028	4.5
243.11693	2.3
244.12634	2.0
245.13319	6.5
246.14145	5.4
247.14748	8.6
247.17081	2.2
248.15688	3.1
249.16367	7.1
251.14374	1.9
251.18002	5.8
255.17421	1.5
257.13416	2.5
257.19003	7.0
258.14032	3.2
259.14865	4.4
260.15607	5.3
261.16418	10.0
263.18011	5.4
265.19614	6.7
267.17459	1.5
269.19055	4.3
271.14700	2.0
271.20709	2.9
273.16431	4.5
274.17148	1.9
275.17920	11.6
276.18817	2.5
277.19647	4.2
279.21246	2.8
281.19098	1.6
283.20569	17.8
284.15366	1.9
285.16232	1.9
286.19458	2.7
287.17712	3.6
287.20248	4.6
289.19547	4.7
290.20319	2.2
291.21277	2.5
293.18936	2.3
295.20688	4.4
297.22198	5.8
299.20193	2.0
300.21002	2.6
307.20630	2.2
309.22263	2.5
315.21231	2.4
317.22641	2.3
319.20590	1.5
329.22772	2.6
331.24329	6.0
335.23798	2.2
339.20850	1.7
341.22974	1.6
347.23547	1.9
349.25198	9.9
357.26004	3.0
361.25165	2.1
365.24927	2.9
375.26990	6.1
401.28491	1.7
403.30154	3.6
484.50916	1.6
491.35248	3.6
503.35034	3.8
509.34338	2.1
547.39209	3.5
565.40326	19.8
583.41461	100.0
584.41345	8.0
585.15704	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4143
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02356	1.2
53.03944	3.2
55.01860	1.6
55.05506	13.8
55.96223	0.9
57.07070	9.7
59.04986	4.2
65.03931	3.2
67.05499	20.4
69.03420	8.8
69.07063	16.3
69.34470	10.2
79.05050	1.9
79.05488	24.0
81.03425	1.4
81.06573	2.2
81.07050	35.6
83.04985	9.0
83.08614	7.6
85.06540	6.1
91.04888	1.5
91.05474	51.7
93.07040	56.3
95.04967	12.6
95.08599	34.2
97.06543	4.9
103.05456	3.7
105.07024	79.8
107.04941	1.3
107.08589	46.4
109.06509	10.5
109.10145	19.4
111.08080	2.6
111.11725	1.3
115.05440	6.2
116.06220	1.7
117.07011	18.2
119.04878	1.2
119.08573	82.7
121.06469	5.2
121.10136	46.5
123.08039	16.8
123.11713	5.0
125.05991	3.6
125.09632	2.1
128.06216	12.4
129.06992	17.1
130.07816	6.8
130.57919	1.0
131.07581	2.0
131.08554	35.9
133.06488	3.0
133.07468	1.2
133.10120	41.0
135.08040	11.2
135.11685	13.7
137.09616	10.4
137.49615	1.2
139.07544	1.3
139.11186	2.0
141.06973	9.4
142.07776	23.7
143.08556	39.2
144.09338	8.3
145.06445	2.2
145.10117	50.4
147.08044	17.3
147.11656	14.7
149.09595	6.3
149.13258	4.3
151.07515	16.2
151.11200	2.0
153.06940	5.0
154.07738	3.5
155.08562	20.6
156.09341	17.0
157.10123	57.3
158.10930	8.8
159.08022	6.1
159.11688	26.5
161.09621	5.0
161.13287	5.3
163.11185	7.5
165.07040	6.9
165.09097	30.5
166.07751	4.7
167.08557	11.4
167.10652	13.1
168.09322	8.1
169.10120	32.9
170.10899	11.3
171.11685	33.0
172.12361	2.4
173.09633	3.5
173.13251	26.7
174.10341	1.4
175.11208	3.0
175.14832	7.6
177.09085	1.3
178.07782	3.3
179.08548	18.4
180.09386	6.4
181.10095	17.3
181.12090	5.4
182.10892	8.6
183.11681	27.4
183.13211	2.1
184.12485	6.3
185.09615	1.8
185.13254	20.0
187.11206	3.0
187.14822	6.4
189.12726	7.0
191.08556	2.1
191.14314	8.4
192.09407	5.8
192.11125	1.2
193.10149	15.8
194.10881	14.3
195.11697	23.4
196.12419	6.5
197.13229	22.0
198.13995	2.3
199.11179	1.8
199.14816	14.8
201.12761	1.3
201.16405	3.0
203.08575	2.5
203.14305	12.4
204.09335	2.1
205.10085	6.4
206.10867	6.8
207.11710	19.5
207.13811	7.7
208.12445	8.2
209.13243	29.0
209.15102	1.8
210.14098	3.2
211.11197	2.1
211.14786	12.1
213.12814	2.2
213.16406	4.1
215.14308	3.1
216.09361	1.3
217.10118	3.4
217.15866	10.8
218.10936	3.1
219.11691	8.9
220.12457	7.5
220.83437	1.1
221.13257	17.7
221.15401	59.0
222.13943	5.2
223.14815	15.2
224.15611	3.9
225.12718	2.5
225.16374	6.0
227.14410	3.1
227.17871	1.1
229.10179	2.2
229.15854	2.0
230.10878	2.1
231.11729	7.0
231.17412	2.2
232.12473	4.6
233.13243	10.0
233.15404	6.5
234.14076	3.8
235.14847	14.0
235.17006	2.1
236.15492	3.3
237.12732	1.8
237.16336	9.1
239.14339	1.3
239.17941	6.9
243.11700	2.9
243.17441	2.3
244.12473	2.8
245.13289	6.4
246.14024	6.5
247.14844	10.7
247.17009	2.2
248.15610	4.5
249.16370	8.3
250.17096	1.9
251.17897	6.5
253.15732	1.8
253.19580	1.3
255.11723	1.2
255.17407	1.6
257.13297	3.6
257.19003	6.7
258.14087	3.4
259.14822	5.7
260.15622	4.8
261.16296	10.5
261.18442	1.3
262.17166	1.7
263.17902	6.7
265.19482	8.4
267.17502	1.4
269.13141	1.4
269.19037	4.5
270.14075	1.4
271.14835	3.1
271.20602	1.6
272.15686	1.8
273.16150	5.0
274.17227	3.0
275.17938	13.1
277.19543	4.8
279.21024	1.5
281.18930	2.6
283.14841	1.5
283.20535	16.9
285.16177	2.4
287.17487	2.3
287.20139	3.9
289.19507	4.7
291.17850	1.3
291.21133	3.2
293.19122	1.8
295.20642	4.0
297.16354	2.1
297.22235	3.9
299.20261	1.9
301.19241	2.4
301.22183	1.4
303.20987	1.5
305.18924	1.4
305.22781	1.6
307.20554	1.8
309.22086	2.2
315.20932	2.3
317.22491	1.2
319.20517	1.8
321.22040	1.7
329.22681	1.7
331.24182	4.8
333.22141	2.1
335.23746	2.2
347.23770	2.1
349.25162	7.8
352.23868	1.9
353.24792	1.7
357.25787	2.4
359.23465	1.4
361.25308	1.9
373.25128	2.2
375.26959	6.2
401.28445	1.8
403.29990	5.5
437.30515	1.7
491.35211	3.6
503.34915	5.4
509.34473	1.9
547.39337	4.1
555.99835	1.1
565.40356	19.7
583.41431	100.0
584.41907	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	583.4145
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91618	0.5
53.03938	1.1
55.01885	0.5
55.05510	4.8
57.07071	3.9
59.04992	1.9
59.98780	0.5
65.03947	0.9
67.05503	8.7
69.03434	4.5
69.07066	5.1
70.02286	3.2
77.03926	0.6
79.05488	8.3
81.07054	15.1
81.07515	1.0
83.04987	1.0
83.08617	2.6
85.06551	1.6
91.05477	13.4
93.07043	19.8
95.04972	3.2
95.08603	20.4
97.06544	1.4
101.92484	0.5
103.05445	0.6
105.07030	23.1
107.04920	0.8
107.08590	13.1
109.06530	3.6
109.10153	6.3
111.08095	1.4
115.05454	0.9
117.07010	4.7
119.08575	22.6
121.06508	2.8
121.10143	18.1
123.08064	11.4
123.11709	2.3
125.05975	0.9
125.09633	0.6
128.06215	2.8
129.06998	3.9
130.07799	1.9
131.08566	8.2
133.06529	1.7
133.10126	12.6
135.08058	5.2
135.11714	3.0
137.09624	7.4
137.13249	1.3
138.99290	0.6
139.11240	1.1
141.07007	2.5
142.07788	6.5
143.08562	11.3
144.09358	1.7
145.10117	16.7
147.08052	12.4
147.11676	4.5
149.09627	3.2
151.07542	12.8
151.11198	0.6
153.06984	1.8
153.09140	0.7
154.07805	1.1
155.08553	4.9
156.09335	6.4
157.10127	18.8
158.10895	1.8
159.08089	1.9
159.11679	10.5
161.09615	3.0
161.13240	4.7
163.11171	3.3
165.06949	1.9
165.09109	26.1
167.08618	2.9
167.10638	3.3
168.09343	2.3
169.10130	8.7
170.10928	3.5
171.11697	12.6
172.12456	1.1
173.09662	2.2
173.13264	7.1
175.11246	1.9
175.14790	2.8
177.09196	0.8
177.12755	1.1
179.08522	3.1
179.14250	0.7
180.09380	2.3
181.10121	4.4
181.12248	2.2
182.10898	3.2
183.11696	9.6
184.12479	1.7
185.09700	1.0
185.13261	10.2
185.14845	0.8
186.13962	0.9
187.11226	1.0
187.14806	3.4
189.12711	4.0
191.14351	1.7
192.09351	1.3
193.10143	4.4
194.10931	2.7
195.11673	7.7
196.12468	2.6
197.13264	8.6
198.13962	0.6
199.11234	1.3
199.14822	3.0
201.12776	1.0
201.16400	1.8
203.14314	12.1
205.10139	1.8
206.10954	2.2
207.11748	5.6
207.13857	4.9
208.12482	3.4
209.13293	8.5
209.15257	0.9
210.14069	1.2
211.11082	0.7
211.14807	3.9
212.15521	0.8
213.12859	0.9
213.16379	2.8
215.14253	1.3
217.15915	1.4
218.10927	0.8
219.11757	2.4
220.12495	1.3
221.13286	4.4
221.15341	48.9
222.14027	1.3
222.15942	0.6
223.11353	0.6
223.14783	5.3
224.15433	0.6
225.12874	0.7
225.16443	2.3
227.14246	1.2
227.17966	0.7
230.10846	0.8
231.11688	1.6
231.13820	0.7
231.17505	1.8
232.12558	1.2
233.13269	2.0
233.15416	2.4
234.14023	1.1
235.14844	4.8
235.16904	0.9
236.15489	0.9
237.16417	2.6
239.14391	0.9
239.17995	1.5
244.12579	1.1
245.13295	1.7
246.14114	1.6
247.14845	3.0
247.17026	1.1
248.15654	1.1
249.16441	2.8
250.17044	0.8
251.17926	2.0
253.15672	0.6
253.19633	1.3
257.13251	0.9
257.19034	1.6
258.94934	0.6
259.14920	1.8
260.15771	0.8
261.16449	2.0
262.17151	0.6
263.14890	0.5
263.17969	2.4
264.18610	0.7
265.19586	1.6
269.19098	1.4
271.14691	0.7
271.20602	2.2
273.16327	1.1
275.17886	2.5
277.16501	0.5
277.19540	2.3
279.21063	1.6
281.19046	1.5
283.20538	3.8
285.16287	0.9
285.22174	0.6
286.19513	1.1
287.20370	2.7
289.19620	1.4
291.21057	1.3
295.20691	2.2
297.22058	4.4
299.20142	1.7
301.19260	0.9
303.20883	0.8
305.19070	0.6
305.22571	0.6
307.20648	0.9
309.22159	1.2
310.22955	0.6
325.21747	0.9
329.22644	1.0
331.24243	0.7
347.23572	1.5
349.25320	2.3
352.23990	1.3
357.25851	2.4
365.24890	2.7
375.26828	4.4
385.29007	1.1
403.30054	6.8
485.33939	0.6
491.34985	1.4
503.35175	3.8
509.34146	2.4
547.39325	1.7
565.40405	25.2
566.40674	1.3
583.41461	100.0
584.41785	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	583.4145
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.3
55.05513	17.8
57.07066	10.2
64.76126	2.4
65.03951	3.8
67.05503	28.0
69.03422	7.5
69.07066	25.6
70.62567	9.1
71.05000	3.0
75.45180	2.5
79.05484	35.8
81.07052	50.9
83.04977	8.3
83.08605	13.3
85.06571	6.8
89.97880	2.6
91.05481	50.6
91.66504	2.9
93.06473	3.8
93.07043	71.4
95.04967	17.8
95.08605	46.8
97.06529	9.9
97.10121	3.0
103.05469	4.3
105.04477	3.2
105.07024	82.6
107.08587	63.1
108.08945	3.4
109.06531	11.8
109.10140	30.5
111.08116	2.7
113.09637	2.6
113.27689	2.4
115.05487	5.1
117.07018	23.8
119.08574	100.0
121.06503	8.4
121.10147	68.6
122.53830	2.6
123.08056	15.3
123.11674	15.2
125.06020	3.6
125.09603	5.4
128.06187	15.3
129.07022	16.8
130.07779	7.6
131.08568	43.8
133.06523	3.7
133.10127	48.3
135.08083	10.0
135.11714	19.0
137.09561	14.5
137.13268	3.6
139.11127	4.6
141.06976	9.9
142.07779	24.5
143.08554	49.2
144.09329	7.7
145.10123	65.4
147.08055	12.9
147.11681	18.9
149.09621	13.8
151.07549	8.6
151.11137	4.2
154.07811	3.9
155.08546	23.4
155.10706	4.5
156.09338	19.6
157.10130	67.5
158.10893	10.4
159.08017	7.6
159.11694	33.2
161.09633	8.0
161.13243	9.1
163.11186	9.1
165.07028	11.6
165.09126	13.8
166.07858	3.2
167.08546	9.5
167.10666	48.3
168.09361	9.5
168.10931	3.1
169.10135	35.1
170.10931	11.8
171.11676	35.0
173.09647	7.1
173.13240	31.8
175.11249	7.9
175.14815	17.2
179.08546	17.2
180.09340	7.9
181.10101	14.1
181.12268	6.4
182.10898	9.0
183.11696	34.4
184.12425	5.9
185.13281	17.7
187.14777	14.1
189.12802	4.4
191.14290	9.6
192.09364	7.6
193.10136	24.2
193.46208	2.8
194.10930	13.2
195.11699	26.4
196.12589	6.4
197.13232	25.4
199.14807	27.6
201.16353	5.8
203.14328	6.2
205.10147	3.7
206.10942	11.4
207.11739	20.7
207.13606	5.4
208.12448	9.7
209.13261	29.4
209.15080	4.2
210.13934	4.3
211.14838	18.1
213.12547	2.6
213.16409	4.7
215.14372	7.4
217.10191	3.7
217.15877	24.1
218.10869	3.4
219.11713	9.4
220.12483	7.3
221.13235	17.5
221.15428	28.4
222.14076	3.8
223.14815	18.0
225.12885	4.3
225.16418	4.9
227.14357	3.6
230.10976	3.9
231.11710	10.0
232.12471	4.1
233.13278	11.2
233.15417	17.8
234.14015	5.9
235.14780	17.1
236.15515	4.8
237.16426	8.7
239.14238	3.5
239.18037	4.8
243.11731	3.8
245.13272	8.1
246.13943	4.2
247.14818	13.0
248.15694	3.8
249.16470	11.3
251.17982	5.7
257.13278	4.6
257.19055	9.0
258.14172	2.9
259.14899	5.2
260.15616	4.6
261.16446	9.4
262.17111	3.0
263.17944	9.0
265.15878	3.8
265.19559	7.1
269.19095	4.8
273.16476	7.5
275.17886	15.0
276.18591	3.7
277.19510	6.7
283.20627	15.4
289.19464	6.2
293.18954	3.9
295.20456	4.7
297.22113	4.9
299.20193	3.9
329.22629	4.3
331.24371	7.5
335.23749	4.4
336.46133	2.9
347.23825	3.2
349.25284	11.0
361.25235	4.4
365.24545	3.2
375.26883	4.6
425.28513	3.1
491.35333	5.0
547.39044	3.8
565.40405	21.7
583.41431	100.0
584.41925	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	583.4144
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.1
55.05507	3.9
56.11187	0.7
57.07072	5.0
59.04995	1.4
67.05501	7.2
69.03420	4.3
69.03751	0.6
69.07067	4.0
71.04980	0.8
71.60906	0.6
71.61289	1.1
73.94341	0.7
74.97191	0.6
79.05501	7.4
81.07056	12.9
83.04975	1.7
83.08614	2.6
85.06554	2.2
91.05477	12.9
93.07039	19.5
95.04961	4.0
95.08606	17.0
97.06519	1.0
100.93896	0.7
103.05492	0.9
105.07025	24.2
106.07327	0.7
107.04951	0.9
107.08601	13.1
109.06508	4.4
109.10164	5.6
111.08064	1.0
115.05459	1.1
117.07007	3.5
119.08575	21.1
121.06515	2.9
121.10139	15.0
123.08049	11.6
123.11720	2.6
128.06183	3.0
129.06984	4.8
130.07780	2.0
131.08572	9.8
133.06540	1.4
133.10117	12.3
133.11064	0.8
135.08055	5.2
135.11693	3.2
137.05952	1.2
137.09604	7.1
137.13246	1.0
139.07532	1.0
139.11292	0.6
141.06989	2.6
142.07784	7.2
143.08548	10.3
144.09393	1.3
145.10123	14.7
147.08044	11.5
147.11668	3.8
149.09644	1.8
150.62979	0.6
151.07545	14.7
153.06970	1.1
155.08521	4.5
156.09351	6.2
157.10124	18.7
158.10867	2.6
159.08041	1.8
159.11697	8.3
161.09631	2.4
161.13312	2.5
163.11179	3.1
165.06960	1.9
165.09109	26.1
166.07802	1.0
167.08568	2.2
167.10652	1.0
168.09406	2.4
169.10112	8.7
170.10880	3.4
171.11685	11.2
172.12488	1.3
173.09665	1.9
173.13261	6.9
175.11182	1.4
175.14851	1.9
179.08568	2.9
180.09357	1.0
181.10129	5.1
181.12303	2.1
182.10948	2.4
183.11687	8.8
184.12476	1.5
185.09663	0.9
185.13258	9.4
187.11220	1.4
187.14850	1.8
189.12715	4.6
191.14290	0.9
192.09349	1.6
193.10110	4.8
193.11748	0.6
194.10898	2.7
195.11665	8.7
196.12479	2.4
197.13248	8.9
199.14902	3.3
201.16370	1.1
203.14308	10.6
205.10152	1.3
206.10896	2.7
207.11739	5.7
207.13844	5.1
208.12491	2.4
209.13257	8.9
209.15083	1.1
210.14069	0.8
211.11252	0.9
211.14792	5.0
213.12753	0.8
213.16451	1.5
215.14388	1.1
217.10188	1.1
218.11058	1.0
219.11736	1.7
220.12434	1.7
221.13251	5.7
221.15327	46.3
222.13959	0.9
222.15875	1.0
223.14838	5.6
225.12825	1.0
225.16460	2.4
227.14421	0.8
227.17882	0.7
230.11188	0.9
231.11725	1.1
231.17534	2.2
233.13234	2.9
233.15312	1.0
234.14020	1.5
235.14716	4.2
237.16405	2.3
239.14296	0.8
239.17924	1.4
244.12552	0.9
245.13260	2.2
246.14256	1.2
247.14841	3.2
247.17087	1.2
248.15672	0.8
249.16472	2.4
251.18036	2.0
253.19525	1.5
257.13300	1.0
257.19089	1.5
259.14792	1.8
260.15768	0.8
261.16388	2.9
262.17291	0.9
263.18048	2.2
265.19574	2.9
271.20541	2.1
273.16382	1.0
275.17926	1.8
277.19525	2.4
279.21201	1.8
281.18909	1.0
283.20590	2.9
287.20425	1.3
289.19595	1.5
295.20575	1.7
297.22095	3.9
299.20261	1.4
301.19284	0.9
303.21094	1.0
309.22211	1.3
310.19119	0.8
317.22781	0.9
331.24036	0.9
347.23810	1.0
348.24573	0.7
349.25357	2.0
352.24011	1.4
357.25723	1.6
365.24966	1.5
375.26794	5.5
385.28961	1.1
403.29999	7.6
491.34921	1.1
503.35046	4.4
509.33951	1.6
547.39331	2.8
565.40375	25.4
566.40338	1.3
583.41437	100.0
584.41785	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	583.3086
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24437	0.7
55.05506	1.3
56.96555	3.1
67.05502	3.8
71.04993	0.9
71.60511	1.3
79.05486	2.6
81.03463	1.0
81.07059	12.3
83.04973	1.2
83.49362	0.8
85.06532	2.4
91.05471	4.9
93.07054	4.8
95.04867	1.0
95.08582	2.5
98.75993	0.8
101.06010	1.1
102.43130	0.9
105.07018	2.1
107.05026	0.9
107.08617	5.3
109.06509	1.1
109.10178	6.3
110.10432	0.9
112.75047	0.7
119.04939	4.4
119.08560	0.9
121.10124	1.5
123.11710	1.6
133.10150	1.7
135.11667	2.2
137.13269	4.5
147.04404	17.3
148.04785	1.2
151.11179	4.6
163.03917	3.0
192.74010	0.8
203.05389	1.1
203.40793	0.9
208.78412	0.9
213.09285	0.8
232.83849	0.8
237.00694	1.9
239.02287	4.9
255.01747	2.6
257.03317	5.7
259.08060	1.4
273.02948	1.6
302.58951	0.8
335.13782	1.0
457.20459	2.9
485.23828	1.5
501.23276	1.1
519.17340	1.1
535.16632	1.4
537.18909	1.0
554.17694	1.3
583.30914	100.0
584.31335	4.4
602.27899	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4146
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	5.3
55.05507	22.6
57.07068	9.2
64.33298	4.5
67.05496	29.3
69.03419	7.2
69.07071	17.1
69.36079	18.8
69.36509	29.0
79.05505	31.5
81.07052	44.3
83.04983	7.5
83.08614	14.1
85.06536	10.8
88.91555	4.9
91.05479	60.1
93.07052	81.7
95.04973	22.1
95.08597	35.1
97.06521	6.0
98.20727	10.2
103.05508	5.5
105.07030	100.0
107.08597	69.1
107.54205	4.7
109.06506	13.9
109.10136	29.7
115.05452	6.7
117.06993	20.2
117.79712	5.7
119.08570	100.0
121.10143	65.3
123.08051	14.6
123.09020	5.1
123.11732	10.9
128.06230	13.7
129.07027	19.9
130.07787	13.3
131.08568	43.3
133.10103	36.4
135.08093	11.2
135.11682	22.6
137.09621	10.8
141.06989	10.1
142.07796	33.9
143.08554	54.7
144.09332	15.2
145.10110	62.1
147.08035	18.3
147.11699	15.4
149.09624	9.2
151.07616	12.0
153.07034	6.7
154.07732	7.3
155.08589	19.4
156.09406	25.8
157.10123	67.2
158.10904	7.7
159.08047	9.8
159.11700	30.2
161.09598	9.8
161.13243	9.4
163.11221	9.3
165.06998	7.8
165.09099	17.9
167.08585	18.4
167.10667	19.0
168.09319	6.6
169.10092	39.0
170.10928	10.7
171.11691	35.7
172.12444	6.1
173.13275	33.2
175.14841	15.6
179.08594	17.1
180.09395	7.7
181.10115	20.7
181.12202	8.6
182.10936	9.5
183.11620	35.3
184.12550	8.3
185.13271	21.3
187.14850	9.0
191.14326	11.0
192.09367	8.9
193.10117	18.0
194.10884	16.5
194.45157	4.6
195.11691	29.7
196.12546	6.5
197.13257	22.1
199.14847	13.7
203.14326	15.0
206.10852	7.7
207.11653	24.8
208.12430	11.0
209.13292	32.9
211.14806	15.2
215.14369	6.6
217.15919	8.0
218.10966	6.2
219.11708	12.0
220.12454	10.9
221.13245	17.6
221.15411	42.8
222.14136	5.7
223.14827	18.3
225.86795	5.8
231.11618	9.1
232.12599	6.9
233.13216	18.0
233.15381	10.6
235.14784	18.7
237.16464	12.3
239.17958	6.9
243.11845	6.0
244.12527	7.9
245.13191	11.9
246.14157	5.2
247.14865	9.6
248.15544	5.6
249.16437	11.7
251.18031	6.4
253.19569	6.0
257.18982	12.5
259.14838	10.8
261.16412	17.6
263.17950	6.3
265.19568	12.1
275.17856	11.0
283.20590	19.0
300.21027	8.0
315.20834	5.6
331.24146	7.7
349.25095	9.5
479.67896	5.1
491.34445	5.7
547.38867	6.1
565.40430	16.6
583.41461	86.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	0.9
53.03946	1.7
55.01873	3.5
57.03429	0.8
59.05256	0.7
63.94797	0.7
65.03939	22.2
67.05505	4.5
69.03429	2.3
69.07088	0.8
71.01359	0.9
71.04980	0.9
71.62688	1.5
73.02906	0.8
77.03911	1.0
78.04691	0.8
79.05492	4.9
81.03421	2.3
81.07052	10.0
82.04199	4.3
82.07394	1.9
83.04990	1.1
85.02894	4.4
86.09706	1.3
87.00835	1.2
91.05480	4.8
93.03390	4.3
93.07026	1.4
95.01297	4.0
95.04954	5.5
95.08617	1.8
97.02892	0.9
97.06513	1.9
100.36382	0.8
103.05475	2.1
105.01865	3.0
105.07015	3.7
106.04172	0.9
107.04974	6.7
108.02094	3.2
109.02883	2.7
109.10205	1.3
110.03662	20.1
111.04437	33.5
115.05475	2.0
117.06987	1.3
119.04954	1.8
119.08617	0.9
121.02866	13.7
121.06519	2.4
122.03665	1.4
123.04424	2.7
124.05161	1.0
125.05984	22.5
127.03910	2.5
128.06213	1.0
129.07063	1.0
130.04140	0.8
131.04945	2.7
131.08644	0.9
133.02859	1.3
133.06487	3.1
135.04416	3.1
135.08037	1.2
137.05974	27.8
137.13261	2.5
138.03137	3.1
141.05478	2.8
143.04877	4.5
144.05719	1.1
145.06480	2.4
146.07257	1.5
147.04398	3.7
147.07962	1.8
149.05963	2.2
151.03902	38.5
151.04990	2.6
151.07556	2.7
152.06232	0.9
153.05457	100.0
154.05789	1.7
159.08046	4.2
161.03011	1.5
161.05998	6.7
163.03932	4.1
163.07530	1.7
165.05461	2.8
165.06865	1.8
165.09105	0.8
167.07043	24.1
167.08374	0.9
173.05959	1.5
174.06718	0.8
175.04469	1.0
175.07559	7.4
175.66780	0.8
177.05511	2.3
177.07019	1.3
178.06290	1.7
178.07744	1.1
179.07043	1.7
179.08453	1.4
181.04955	6.1
181.06473	1.8
183.08102	1.3
184.07352	2.6
185.06081	1.1
186.06705	1.1
187.07558	2.8
189.05434	2.8
191.07036	1.0
191.08551	2.4
193.06548	1.0
193.08592	1.0
194.07257	1.9
195.06526	1.8
195.08098	2.7
196.81763	0.7
197.05998	0.9
199.07570	2.3
202.07834	0.8
203.07008	2.3
204.07799	1.7
205.06599	1.7
205.08623	3.1
206.07301	1.4
207.06465	0.9
207.08170	1.8
208.08855	0.8
209.06033	1.4
209.07872	1.2
209.09654	1.6
210.06754	1.7
211.07526	1.9
215.04051	1.0
216.07785	3.4
217.08641	2.0
218.07365	2.0
219.08142	4.5
220.08830	2.6
221.05931	1.5
221.09625	1.3
222.06746	1.8
223.07539	2.8
224.08347	1.6
225.09085	3.4
226.06279	2.9
226.09834	1.1
227.29872	0.9
229.08620	1.5
232.05412	1.0
233.06017	1.0
233.07982	1.3
235.07602	3.9
235.09518	0.9
236.08392	4.0
237.09134	2.9
238.06244	1.3
239.07008	7.0
239.10635	2.7
240.07695	1.2
246.06799	1.1
247.07478	1.5
247.09648	13.3
248.08260	1.4
249.05505	1.1
249.09097	1.7
250.06210	1.4
250.09868	1.2
251.07011	2.8
251.10704	4.4
252.07898	1.4
253.08604	12.6
254.09351	5.1
255.06758	1.0
255.10167	0.9
261.09122	1.3
263.06894	1.0
264.07907	2.8
265.08569	3.3
266.09363	2.1
267.10168	4.1
268.10938	1.0
269.11710	6.1
275.06079	1.7
276.07828	1.4
277.08615	2.1
279.06793	0.9
279.10074	2.9
280.11050	0.9
281.08005	2.5
281.12012	0.8
282.08887	4.1
283.09592	2.4
285.11362	1.2
293.08109	2.2
294.08878	2.2
295.09711	2.7
296.10556	1.3
297.11191	9.7
305.07513	0.9
307.09671	6.8
308.10358	1.7
309.11261	1.6
311.09204	2.0
311.12671	1.1
319.09674	2.2
321.11221	2.2
323.09271	1.0
325.10678	47.7
326.11343	3.0
327.12292	1.2
329.13889	1.7
335.13083	0.9
337.10666	2.4
339.12280	27.3
340.12817	1.6
341.13943	1.8
351.12256	7.5
352.12909	1.1
355.11716	4.2
357.13312	57.8
358.13663	2.3
369.13254	5.4
370.14117	2.1
381.69144	0.8
383.14868	0.9
387.14389	9.0
411.68381	0.8
583.13928	1.8
583.21942	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2172
Annotation	Buddlenol A
Peak:m/z	Relative Intensity
53.03939	1.3
55.01859	0.9
63.85650	0.8
65.03937	2.0
66.04707	1.3
67.05490	1.7
68.46972	0.8
69.03418	1.8
69.75750	0.8
70.05897	1.3
70.06309	3.1
78.04720	1.9
79.05484	5.5
80.07399	0.8
81.03407	8.2
81.07075	0.9
81.88148	0.8
85.02897	1.1
91.05476	6.7
94.04189	3.2
95.04972	3.0
98.20785	1.2
103.05473	4.0
105.06405	0.8
105.07042	11.2
106.04149	1.6
107.04944	11.9
109.06535	1.0
109.10169	0.9
109.45415	0.7
111.04462	1.3
115.05444	13.9
116.06280	1.0
117.07020	12.1
118.04144	1.6
119.04949	2.3
119.08600	2.8
121.06492	1.9
122.03629	8.7
123.04425	5.2
124.05223	3.9
125.06011	2.4
127.03933	1.3
128.06273	1.2
129.06992	2.3
131.04930	4.4
131.08577	1.6
132.05675	1.8
133.06480	10.2
135.04422	1.3
137.05971	100.0
138.06348	1.5
141.06973	1.6
143.04903	2.8
144.05716	3.1
145.06480	19.6
147.04414	2.1
147.07997	5.8
149.06017	2.7
151.03896	14.7
151.04999	1.1
151.07574	2.5
152.04665	2.8
153.05489	3.6
153.06841	1.3
155.06047	2.2
156.05701	2.0
157.06523	1.6
159.04448	1.4
159.08055	3.4
160.05228	1.0
161.05966	17.5
163.03853	1.0
163.07527	1.2
165.05531	0.9
165.06989	0.9
167.07033	86.5
168.07460	1.7
169.06393	1.0
172.05244	2.4
173.05975	13.3
173.07285	0.8
174.06697	0.8
175.07535	8.1
176.04762	1.2
177.05475	4.7
178.06151	0.9
179.07016	7.5
181.04977	13.3
181.06470	1.9
181.08586	3.7
183.04376	1.0
184.05235	1.0
187.07541	4.5
189.05481	2.4
190.06227	4.2
191.07024	4.5
192.07646	1.4
193.08609	11.0
195.06548	2.8
196.05159	1.5
197.05989	2.0
198.06531	1.3
202.06248	1.2
203.07034	4.1
205.05003	1.1
205.08582	17.4
207.06483	15.1
207.08337	1.0
207.09985	4.5
209.06169	1.4
209.08012	1.1
210.06749	1.6
211.07513	2.9
213.05458	1.2
217.08578	10.6
218.07416	1.1
219.06473	2.4
219.10104	6.8
221.08083	3.2
223.09677	2.1
225.05458	1.3
226.06151	4.1
227.06941	1.2
233.07954	6.1
234.06851	0.9
235.07535	1.8
235.09616	26.1
237.05585	1.0
237.11269	1.1
240.07819	1.7
241.08554	7.5
243.06461	0.9
246.06622	1.2
247.07449	1.7
247.09654	2.9
248.08429	2.3
251.07077	1.4
252.07886	1.2
253.08527	1.0
254.05774	1.1
255.06549	2.2
257.08154	2.4
261.09180	1.4
262.06332	0.9
263.06964	2.6
265.10776	1.2
267.10080	1.0
268.07312	1.5
269.08075	5.5
270.08942	1.7
271.06021	3.3
275.07053	1.7
276.07904	1.9
277.08691	1.3
278.09409	1.2
279.06604	1.2
279.09988	0.8
280.07333	1.3
281.07825	1.1
283.05923	0.8
283.09714	2.3
286.08395	2.1
287.06708	1.1
289.08145	1.4
289.10815	3.2
290.09375	1.7
291.06305	1.1
291.10205	2.5
292.07181	1.3
293.08115	1.3
294.08771	1.2
295.09692	3.1
296.06671	1.2
297.07672	2.3
299.05838	1.4
299.09149	1.9
301.10788	7.3
303.12335	1.2
304.07196	1.3
305.08151	1.8
306.08881	1.4
307.06613	0.9
307.09564	4.6
308.06784	1.1
309.07819	1.3
309.11133	1.5
313.10641	2.2
314.08060	3.8
315.12335	2.1
319.09375	1.5
320.06775	0.9
320.10251	1.2
321.07910	1.7
321.11179	2.4
323.09329	2.0
323.13004	1.0
325.10721	1.5
327.12302	2.1
329.10208	18.7
330.11334	1.3
331.11859	5.6
335.09216	2.2
335.12805	1.3
336.09821	1.4
337.10718	4.0
339.12289	3.2
343.11871	1.2
349.10852	2.8
351.12241	5.0
353.10144	1.6
353.14169	1.4
355.11877	3.9
363.12265	2.2
365.14069	1.2
367.11771	3.2
368.12723	1.2
369.13379	4.6
371.14981	2.1
373.12607	1.7
379.11823	1.7
381.13373	6.8
383.14941	3.3
385.12659	3.9
387.14304	1.1
393.13385	2.3
395.14859	1.6
397.12732	3.1
399.14328	5.9
401.16275	1.8
411.14423	8.7
413.16153	1.3
423.14542	2.1
429.15332	4.3
441.15726	6.4
459.16458	26.5
464.95474	0.9
469.86487	0.9
517.18536	1.7
523.19647	1.3
529.19019	1.0
535.19562	2.6
547.19739	6.9
553.20673	10.9
565.20728	25.6
583.21637	35.8
584.22144	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.3
55.01866	2.5
65.03934	6.2
65.06372	1.0
67.05482	1.3
69.03426	1.2
69.40518	5.4
69.40946	3.9
71.04975	2.1
73.69578	0.8
79.05486	4.5
81.03389	1.0
81.07057	0.9
85.02894	3.4
91.05474	7.5
95.01367	1.2
95.04958	4.4
97.98658	1.0
98.20747	2.2
103.05449	8.4
105.07018	9.2
107.04961	10.2
108.02087	1.1
109.05682	0.9
109.06512	1.3
109.60937	0.9
110.03680	5.3
110.04273	0.9
111.04449	8.2
115.05427	4.1
117.06996	1.2
118.04116	1.5
119.04918	3.1
121.02890	5.7
121.06507	3.5
122.03637	2.4
123.04427	3.9
124.05175	1.8
125.05988	7.9
129.06999	1.5
130.04164	1.0
131.04926	13.5
133.02811	1.8
133.06473	6.6
134.03645	2.1
135.04411	3.3
137.05954	12.7
143.04935	1.8
144.05710	2.0
145.06430	3.8
146.03642	1.4
147.04437	6.2
149.05984	3.6
151.03905	24.9
151.05032	1.9
151.07509	2.5
153.05458	29.4
155.06978	1.0
159.04349	1.5
159.08067	1.8
160.05124	1.7
161.05965	16.9
163.03897	2.8
163.07564	7.2
165.05540	2.7
165.06999	3.1
167.07048	24.1
167.08466	1.3
173.06007	1.6
175.07529	3.8
177.05467	30.5
177.06877	1.8
178.07793	3.8
179.07025	3.3
179.08545	3.7
180.04401	1.2
180.09277	1.2
181.04926	2.7
181.06494	2.8
183.08102	2.1
187.07523	4.6
189.05437	7.5
189.07045	2.4
190.06273	2.1
190.07826	1.7
191.07028	3.1
191.08549	3.8
193.04907	1.7
193.06523	2.7
194.07275	3.4
195.06509	2.6
195.08084	2.5
197.09698	1.5
199.07422	2.6
202.07756	2.5
203.08629	2.3
205.06514	5.2
205.08316	1.0
206.07306	2.5
207.06410	1.7
207.08110	5.9
208.08852	4.4
209.05966	1.4
209.09616	2.4
210.06784	2.3
211.07518	3.3
215.08658	1.7
217.06535	2.0
217.08366	2.0
218.07233	5.5
219.08086	10.6
220.05078	1.3
220.08794	5.0
221.05962	7.4
221.09637	4.1
222.06734	2.5
223.07455	2.1
223.11188	1.7
224.08319	5.0
225.09117	4.1
227.06859	1.2
231.08015	3.8
233.05951	4.3
233.09669	1.5
234.06648	3.5
235.07507	9.5
236.08310	9.6
237.05424	1.9
237.09138	7.6
237.76357	1.0
238.06195	1.3
238.09894	1.5
239.07001	4.6
239.10686	1.8
241.08684	1.5
246.06779	2.6
247.07515	7.6
247.09683	1.3
248.04715	1.5
248.08359	5.4
249.05460	5.2
249.09088	5.4
250.06186	3.0
250.09975	2.1
251.07040	4.0
251.10684	11.7
252.07736	4.7
253.08556	14.6
254.09242	2.5
259.07718	1.2
260.08218	1.9
261.05435	2.3
261.09180	3.0
262.06378	1.1
263.07013	11.1
263.10242	2.0
264.07779	15.5
264.28180	1.1
265.08591	15.1
266.09406	2.8
267.06500	5.0
267.10120	5.7
268.07336	2.0
268.10681	1.3
275.07013	3.1
276.07767	7.9
277.05380	1.6
277.08542	8.8
278.05801	1.3
278.09335	4.7
279.06827	1.6
279.10107	15.4
280.07523	1.6
280.10846	2.0
281.08127	11.9
281.11255	1.8
282.08896	5.1
283.09601	3.1
287.10324	1.4
288.07663	1.8
289.08560	2.6
290.09351	1.5
291.06531	1.9
291.10001	5.2
292.07224	6.4
293.08078	8.8
294.08871	3.6
295.06354	2.3
295.09613	16.9
296.10419	10.4
297.11194	3.6
299.12692	1.3
305.08124	1.7
306.08942	2.1
307.09650	18.5
308.10373	7.8
309.07556	4.2
309.11243	4.7
310.08377	2.2
311.09409	1.5
311.12723	9.2
313.10663	1.3
319.09689	9.7
320.10355	2.9
321.11212	2.7
323.09055	2.7
323.12845	7.0
324.10062	4.9
325.10684	22.5
327.12253	23.3
329.10306	1.7
337.10614	3.9
338.11475	1.5
339.12253	100.0
340.12756	4.1
351.12241	39.2
352.12650	1.8
355.11597	2.1
357.13330	22.4
357.17719	0.8
369.13321	49.3
370.13751	1.5
475.13806	1.2
583.22827	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	583.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.4
55.01852	1.3
55.33404	0.9
57.83076	0.8
65.03931	2.0
69.03416	1.6
71.04981	1.5
71.11665	2.4
78.04695	3.0
79.05492	6.4
81.03418	9.0
81.07038	2.7
85.02882	3.8
88.04868	0.7
91.05486	9.3
91.08066	0.9
93.07024	1.5
94.04166	4.2
95.04940	3.0
103.05452	5.0
105.03398	1.1
105.07033	9.0
106.04189	1.6
107.04940	12.6
109.06502	1.3
111.04430	1.6
115.05444	16.0
116.06247	1.6
117.07008	12.1
119.04916	2.3
119.08562	2.0
121.06480	1.4
122.03617	8.4
123.04427	7.1
124.05182	3.1
125.05986	1.7
127.03917	1.9
128.06186	0.9
129.06970	2.3
130.04169	1.2
131.04921	4.8
131.08510	2.6
132.05655	1.4
132.62207	1.1
133.02849	1.5
133.06482	8.6
135.04385	1.2
137.05969	100.0
138.06270	1.7
139.07530	0.9
141.05481	1.0
141.06920	1.3
143.04886	2.8
144.05693	3.6
145.06471	18.3
147.04378	3.4
147.08032	4.8
149.05965	2.8
151.03915	17.5
151.05055	1.0
151.07526	2.1
152.04622	2.8
153.05492	4.3
155.06015	2.8
156.05659	2.1
157.06505	2.6
159.04463	0.9
159.07991	2.8
160.05161	2.2
161.05960	18.7
163.03920	3.3
163.07509	1.1
165.05441	1.1
167.07030	88.7
168.07379	1.3
169.06477	1.3
170.01076	0.9
171.07996	1.2
172.05161	2.4
173.05966	13.9
174.06662	1.0
175.07538	9.2
177.05383	3.1
178.06239	1.3
179.07039	6.2
180.05757	0.8
181.04926	12.9
181.06474	2.9
181.08569	2.4
183.08060	1.2
184.05147	1.3
187.07584	4.1
189.05428	1.7
190.06201	3.6
191.07036	5.5
192.07677	0.8
193.08585	10.5
194.06926	0.9
195.06474	2.2
195.08134	1.1
196.05203	1.2
197.05968	1.6
198.06743	1.7
199.07426	1.7
202.06194	1.2
203.07045	4.3
205.04994	0.9
205.06754	1.8
205.08566	16.0
206.05568	1.0
207.06506	12.9
207.08377	1.1
207.09964	4.6
209.06067	1.6
209.07881	1.1
210.06735	1.4
211.07581	2.6
215.06885	1.2
217.08524	8.3
218.07201	1.9
219.06277	1.3
219.08090	1.9
219.10130	4.7
221.08040	2.7
223.07674	1.0
223.09666	2.0
224.08165	1.1
225.05470	1.9
226.06168	3.6
227.06963	1.4
229.08553	1.6
231.08138	2.1
233.05939	1.5
233.08031	6.1
234.06647	1.2
235.07545	1.9
235.09619	23.5
237.11159	1.8
239.06891	1.6
240.07831	2.6
241.08554	7.5
245.07796	1.0
246.06898	1.9
247.07463	2.5
247.09778	2.5
248.08247	1.1
251.06979	1.9
252.07588	1.0
254.05844	1.8
255.06340	1.2
257.08093	3.1
258.06628	1.1
260.08398	1.1
261.09259	1.4
263.07050	2.9
264.07788	1.6
265.08362	1.6
267.10297	1.1
268.07199	2.3
269.08020	5.6
271.05994	3.2
271.09729	1.3
276.07840	2.1
277.08463	1.4
278.06033	0.9
278.09357	1.3
279.06519	1.3
279.10098	1.5
283.06134	1.0
283.09662	2.0
286.08539	1.8
289.10672	3.3
290.09302	1.0
291.06686	1.2
291.10190	2.1
292.07312	1.7
293.07932	1.7
294.08746	2.1
295.09644	3.5
296.06931	1.4
297.07693	1.4
298.08109	1.2
299.05423	1.5
301.10797	8.2
303.06595	1.4
305.07983	1.3
305.11948	1.1
306.08688	1.4
307.09552	4.9
309.07639	1.4
309.11047	1.2
311.09250	1.2
313.10626	1.8
314.07803	3.2
314.11243	1.0
315.08615	1.0
315.12213	2.0
319.09448	1.6
321.11163	2.2
322.08469	1.6
323.09259	1.9
323.12689	1.5
325.10699	1.3
327.12076	2.9
329.10181	14.7
330.11038	1.6
331.12115	4.7
334.08078	1.1
335.08951	1.6
337.10623	3.7
339.08423	1.3
339.12177	3.1
343.11752	1.9
347.08972	1.0
349.10486	2.3
350.11411	0.9
351.12357	5.2
353.10309	1.3
353.14041	1.6
355.11679	3.9
357.13467	1.7
363.12204	2.6
367.11829	4.8
368.12589	1.2
369.13266	3.1
371.14954	1.6
379.11365	1.2
381.13370	6.2
383.14847	2.6
385.12656	3.6
387.14346	1.8
393.13248	1.8
395.14777	2.7
397.12909	2.6
399.14355	6.1
409.12570	1.2
411.14389	6.1
413.16177	2.0
423.14267	2.3
429.15305	2.9
441.15482	6.4
459.10178	1.1
459.16486	21.1
517.19031	1.1
523.19135	1.1
535.19385	2.1
547.19641	9.1
553.20715	11.3
565.20569	19.0
583.21564	30.1
583.73865	1.1
609.74341	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.9
55.01866	2.4
55.33763	0.7
65.03941	2.3
66.04707	1.2
67.05509	1.8
68.99785	0.8
69.03422	3.1
69.71446	4.2
77.03897	0.7
78.04711	2.7
79.05488	5.5
81.03415	8.9
81.07047	6.1
82.07447	1.0
85.02900	3.7
91.05481	9.7
94.04185	3.1
95.04952	4.3
95.08612	1.8
97.02883	2.0
103.05481	5.6
105.01854	1.9
105.03413	0.9
105.07039	9.6
105.88123	0.9
106.04185	1.3
107.04950	13.6
107.26749	0.8
109.02868	1.2
109.06541	1.5
111.04421	1.1
114.76460	0.9
115.05441	13.7
116.06251	1.4
117.06998	12.8
119.04952	2.5
119.08578	3.3
121.06490	2.2
122.03639	9.7
123.04440	7.9
124.05193	3.9
125.05991	2.3
127.03937	2.8
128.06215	1.5
129.07025	3.7
131.04922	5.6
131.08589	1.9
132.05711	2.0
133.02913	1.7
133.06487	9.4
135.04414	1.3
135.08000	0.9
137.05972	100.0
138.06325	2.1
141.05592	0.8
141.06944	1.5
143.04907	3.0
144.05711	3.1
145.06476	20.6
147.04416	4.1
147.08086	5.2
149.05989	3.1
151.03912	17.3
151.05084	1.4
151.07529	2.4
152.04703	2.8
152.06088	0.9
153.05498	3.4
155.06003	2.1
156.05673	2.9
157.06459	2.3
159.04375	1.1
159.08089	3.3
160.05190	1.1
161.05960	16.5
161.07207	1.1
163.03886	2.0
163.07571	1.9
165.05498	2.0
165.06906	1.8
167.07036	89.7
169.06487	1.8
172.05228	1.7
173.05994	16.0
175.03947	0.9
175.07544	6.7
177.05441	4.1
179.07018	6.7
181.04977	16.1
181.06480	2.5
181.08617	2.8
183.08032	1.0
186.06927	1.1
187.07504	5.0
189.05486	1.8
189.07111	1.0
189.09116	1.2
190.06245	3.2
191.06996	7.1
192.07986	0.9
193.08609	11.2
195.06531	2.1
196.05310	0.9
197.06039	3.1
197.07919	0.8
198.06801	2.4
199.07484	1.3
201.05418	1.1
202.06297	1.4
203.07072	2.8
205.08594	17.4
207.06497	13.0
207.08282	1.2
207.10231	3.0
209.05997	1.9
209.07991	1.6
211.07590	2.8
215.07071	1.0
217.06711	1.5
217.08615	9.5
218.07414	1.1
219.08182	1.3
219.10226	4.5
221.06129	0.9
221.08089	2.7
223.07701	1.3
223.09659	1.9
225.05501	2.0
226.06271	3.4
227.06902	1.6
229.04945	1.1
231.08217	1.7
233.07869	6.1
234.06760	1.7
235.07568	2.1
235.09630	22.8
235.11819	1.6
237.05476	1.3
237.11218	1.8
239.07043	1.4
240.07790	1.8
241.08548	7.8
243.06560	1.2
247.07462	1.8
247.09703	1.7
248.08450	2.3
249.09279	1.2
251.06940	1.1
252.07852	1.1
253.08719	1.2
254.05699	1.8
255.06531	2.8
257.08167	3.2
260.08087	1.2
261.09216	2.0
262.06192	1.2
263.07166	1.8
264.07935	1.5
265.08469	1.4
265.10895	1.3
268.07257	2.3
269.08044	6.4
271.06039	3.1
275.06955	1.4
276.07776	2.1
277.08667	2.8
278.09244	1.2
279.06592	1.4
279.10098	1.8
280.07169	1.1
282.05148	0.8
283.09647	1.5
286.08450	1.9
287.10269	2.4
288.07767	1.4
289.10745	3.2
290.09210	1.8
291.10071	2.1
292.07358	2.1
293.08109	2.8
293.11526	0.8
294.08908	1.1
295.06656	0.8
295.09586	4.4
296.06802	1.8
297.07648	1.7
299.05536	1.6
301.10779	5.0
304.07388	1.1
305.08051	1.7
305.11798	1.1
306.08945	1.3
307.09680	4.4
309.07785	1.6
309.11246	1.2
313.10672	2.3
314.08118	3.9
315.08820	1.4
315.12366	2.3
319.09369	1.2
321.07751	1.5
321.11234	2.0
322.08240	1.3
323.09189	2.2
327.12277	2.4
329.10217	14.0
330.11246	1.4
331.11938	4.6
333.11307	1.2
335.09131	2.1
335.12805	1.2
336.09970	2.4
337.10748	2.8
339.08585	1.6
339.12302	2.9
343.11810	1.5
347.09335	0.9
349.10931	1.0
350.11807	1.1
351.12100	3.9
353.10101	1.4
353.14029	0.9
355.11856	5.7
357.13312	2.3
363.12512	1.8
365.14008	1.1
367.11749	3.2
369.13342	5.2
370.13992	1.2
371.14990	2.0
373.12839	2.4
379.11813	1.4
381.13474	7.9
383.14935	3.8
385.12897	3.3
387.14331	4.1
393.13474	2.0
395.14807	2.4
397.12817	1.9
399.14365	6.1
401.15741	1.5
411.14291	7.2
413.16153	1.8
423.14417	1.9
429.15488	3.4
441.15320	7.1
459.16479	23.7
515.17065	1.0
517.18555	1.4
529.18988	1.2
535.19879	2.4
547.19739	7.3
553.20660	10.6
565.20691	21.7
583.21680	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	582.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.9
55.01862	2.5
57.03425	1.0
57.13852	0.9
60.04514	1.9
60.08149	2.7
61.02916	2.0
65.03945	0.8
67.05489	2.7
68.99807	0.9
69.03426	10.9
69.07066	1.3
70.06564	1.2
70.70005	0.7
71.04977	4.4
71.59217	1.2
73.02908	2.1
79.05495	6.1
81.03418	7.3
81.07055	100.0
83.04977	1.2
85.02905	31.2
86.09708	16.2
87.00839	4.3
91.05468	2.3
93.07024	1.9
95.04948	1.8
95.08595	11.2
97.02903	7.1
98.98428	1.3
99.04458	5.6
103.05453	1.5
104.10736	1.6
105.01865	5.6
105.07005	1.0
107.04935	3.0
107.08609	1.4
109.02887	10.7
109.10136	1.4
117.77496	0.8
121.10098	1.2
122.07597	0.9
123.04412	1.5
123.11729	1.2
124.99999	10.0
127.03912	24.7
129.01859	2.6
131.04904	1.4
131.08574	0.9
135.04428	1.1
137.05980	12.6
137.13251	35.3
138.06400	0.9
143.04947	1.8
145.04951	11.3
147.02887	1.6
147.04379	1.9
149.05994	1.2
151.03882	3.0
153.12766	0.9
159.02849	2.3
161.05998	1.9
163.03937	2.0
163.07567	1.1
165.06985	2.2
166.07301	1.0
167.07051	10.0
168.07346	2.7
173.05939	1.0
175.07562	1.2
177.05452	2.4
178.05948	1.2
179.06992	0.9
181.04973	2.4
181.08513	1.2
184.07341	50.4
189.05507	1.3
191.06966	1.1
193.08557	1.3
213.03926	3.7
217.83806	0.9
231.05002	14.6
241.21657	1.1
248.11586	0.8
249.06058	17.6
353.10147	0.9
355.11731	1.3
357.13376	1.7
367.17392	1.0
372.15186	1.0
375.09189	1.2
393.10330	2.6
451.61511	0.9
483.89288	0.8
484.81052	1.0
582.20374	1.6
582.34552	5.4
583.21368	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.1
55.01874	3.1
55.05506	1.7
57.03440	2.3
57.07057	0.5
60.04517	1.1
60.08165	1.8
61.02917	1.9
65.03941	0.7
66.04280	0.5
67.05495	2.1
68.99780	0.8
69.03429	10.1
69.07056	1.1
70.07182	1.1
70.07599	1.6
71.04986	3.1
73.02908	2.4
79.05486	6.2
81.03420	7.3
81.07055	100.0
82.07381	0.5
83.05016	0.5
85.02904	32.5
86.09706	9.1
87.00831	7.0
91.03957	0.5
91.05467	1.5
93.07055	1.4
95.04980	1.3
95.08601	9.7
97.02892	10.5
97.06554	0.5
98.98438	0.5
99.04443	3.9
100.11256	0.7
103.03991	0.7
103.05465	0.9
104.10760	1.1
105.01856	9.8
105.07017	0.7
106.65579	0.5
107.04954	1.2
107.08600	0.7
109.02878	11.7
109.10157	1.0
111.04443	0.6
115.05506	0.8
119.04957	0.8
121.02922	0.5
121.06530	1.0
121.10188	0.5
122.03634	0.7
123.04468	1.0
125.00008	5.9
127.03918	25.6
129.01854	1.8
131.04910	0.9
135.04436	1.1
135.11667	0.8
137.05984	8.7
137.13254	32.5
143.04884	0.6
145.04955	12.1
145.06244	0.7
145.06534	0.6
147.02914	1.9
147.04463	0.9
149.05989	0.7
151.03909	1.7
153.01875	0.6
159.02879	2.9
159.04164	0.5
161.05954	0.6
163.03915	1.4
165.06975	0.7
167.07047	7.6
168.07375	2.0
170.15437	0.6
170.50542	0.4
173.05995	1.1
177.05539	1.1
178.05945	0.5
181.04993	2.4
182.15387	0.5
184.07332	26.4
189.03928	1.1
189.05505	0.6
191.07089	0.7
193.08571	0.8
198.14877	0.5
205.08679	0.8
210.14934	1.1
213.03979	3.2
231.05008	17.0
249.06055	17.0
253.07233	0.7
271.08112	0.9
304.05118	0.6
334.29709	1.3
357.08881	0.6
357.13477	1.3
367.17807	0.6
372.15195	0.6
385.18710	0.7
385.32047	0.5
387.14505	2.0
393.10162	1.1
411.11090	0.5
493.28629	0.6
582.21619	1.5
582.34222	2.9
582.45532	1.2
583.21771	1.2
596.39026	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.0
55.01865	5.0
57.03436	37.1
59.04987	1.0
61.02919	15.1
65.84112	0.9
69.03426	48.6
70.06582	1.0
71.01356	4.7
71.04984	3.6
71.28361	1.1
71.58675	1.7
72.92726	0.9
73.02914	85.4
81.03422	6.8
85.02901	81.2
85.11943	1.0
86.77544	0.9
87.04459	5.9
91.03961	2.9
91.05478	3.6
93.07037	2.3
95.04991	1.3
97.02888	100.0
99.04474	4.8
103.03928	2.6
103.05471	1.6
105.01894	1.1
107.04962	5.1
108.05245	1.4
109.02881	7.1
110.07181	1.4
111.04473	1.5
113.02368	1.4
115.03926	61.5
117.07018	3.0
121.06494	49.1
123.04426	9.0
124.04725	2.2
124.35912	1.0
127.03913	43.8
128.04259	7.5
128.06213	1.5
129.04391	5.3
129.05301	1.0
131.04863	1.1
131.08565	1.7
132.06534	2.7
133.04961	14.9
133.06473	2.4
135.04424	7.1
135.08049	1.1
136.04732	3.0
137.05960	2.6
138.05493	22.1
139.03894	9.1
140.04239	3.1
141.06992	2.1
143.08643	1.1
145.03035	1.1
145.03894	2.1
145.04959	28.3
145.06474	17.1
147.04361	2.2
149.04388	1.1
150.07631	4.5
151.03882	2.6
151.07521	2.6
152.36301	1.1
157.04974	2.8
157.06372	2.0
158.16510	1.3
159.04311	1.0
159.08054	6.2
161.05905	1.9
163.03909	15.6
163.06015	9.5
163.07532	6.7
164.04201	5.0
165.04323	1.8
165.05533	1.6
169.06436	1.4
170.79280	1.0
171.08072	2.6
175.06067	1.4
175.07538	18.5
177.05525	1.3
179.07022	2.9
183.08023	1.4
185.05969	1.8
187.07535	27.5
187.69472	1.0
189.03975	1.1
189.09131	2.1
191.07053	1.1
193.05013	1.6
199.05977	1.5
199.07536	3.0
201.05582	1.0
201.09285	1.2
203.06947	1.5
205.08594	22.1
211.05966	14.4
211.07666	1.2
217.06529	2.0
217.08597	31.3
221.07928	1.1
223.06056	7.1
229.07025	7.1
229.08652	6.7
231.05109	1.6
235.09627	34.2
241.07085	10.0
247.05846	1.8
247.09790	9.9
248.06294	1.6
249.06454	1.5
252.65436	1.1
253.10687	22.5
258.04871	1.3
259.08127	12.6
263.09106	3.0
263.76633	1.1
265.11017	14.5
271.06076	2.9
271.11777	8.8
272.06390	1.7
276.05908	1.5
283.11771	1.1
287.05563	1.8
288.05737	1.4
289.06262	2.0
290.07120	1.7
291.07843	1.4
292.08655	1.6
293.09253	1.6
295.10223	36.1
301.12820	13.4
312.15900	1.0
363.97119	1.2
392.46414	1.1
397.83987	1.1
411.09488	1.5
412.10199	2.8
450.17404	1.4
484.04160	1.2
501.76279	1.3
564.19836	1.5
582.21716	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	581.2899
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	1.1
55.05500	1.0
57.07075	1.3
65.03932	1.5
67.05499	4.4
68.29942	0.9
69.07076	1.6
69.73291	6.4
71.32432	0.8
79.05489	5.5
81.07059	100.0
84.97891	0.9
91.05488	15.6
93.07059	1.4
95.04984	1.3
95.08604	11.7
97.25774	1.0
98.20757	1.1
105.07047	1.6
107.04970	5.0
107.08641	1.4
115.05441	1.1
119.04943	22.2
119.08494	1.3
121.10147	1.5
124.07351	1.0
131.08548	0.9
135.08060	1.7
137.13258	41.0
147.04376	1.2
165.06979	1.2
167.08583	2.7
171.11714	1.1
175.28976	1.1
185.09654	1.1
187.07466	1.0
195.08105	2.9
197.13239	0.9
213.09117	48.1
215.07068	3.4
311.09439	1.7
330.01920	0.9
400.97327	1.0
581.39703	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	582.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.4
54.62002	0.9
55.01864	1.6
57.03438	23.0
59.04981	1.2
61.02926	10.5
65.03944	1.1
69.03426	29.7
70.73147	3.0
71.01344	2.9
71.04969	4.1
73.02914	49.4
81.03406	6.3
83.04953	1.1
85.02902	100.0
85.21014	0.9
86.09670	1.0
87.04452	3.3
91.03959	6.5
91.05477	84.2
97.02888	75.8
99.04443	4.5
103.03954	1.8
107.04918	3.0
108.05267	1.1
109.02888	7.5
111.04413	1.0
115.03925	49.9
116.04299	0.8
117.56328	1.1
119.04956	1.2
123.04457	1.2
127.03912	32.6
132.06526	1.3
133.04974	15.4
133.06500	2.8
135.04422	0.9
137.05992	1.4
139.03838	1.5
145.04956	55.8
151.03905	1.6
155.85448	0.9
161.04442	3.8
163.03932	2.0
163.06013	30.4
171.08026	1.7
175.07576	1.6
187.07368	1.4
189.09032	0.9
193.04958	1.5
199.06050	1.2
205.08562	2.4
217.08574	4.2
223.06018	4.1
235.09689	3.7
241.07027	7.4
253.10623	6.5
259.08139	10.3
263.76526	1.0
266.92642	1.0
271.08466	1.0
271.11554	1.2
277.08945	1.4
289.09070	1.9
295.10260	22.1
301.08856	0.9
325.11331	13.7
353.03323	1.0
443.82120	1.0
452.18375	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1864
Annotation	5,7,4'-Trihydroxyflavanone 4'-O-rutinoside
Peak:m/z	Relative Intensity
53.03935	2.2
55.01861	1.9
55.05507	1.1
57.03436	6.3
61.02910	2.8
65.03937	1.0
67.05479	0.6
68.99789	1.4
69.03075	0.9
69.03426	10.8
71.04989	39.0
71.43877	1.3
73.02902	1.9
75.04476	1.4
79.05466	1.7
81.03410	3.2
83.04960	2.7
85.02898	59.6
85.95247	0.7
87.04462	2.1
91.03957	1.7
91.05471	1.9
91.72780	0.7
92.03687	0.6
95.04967	6.1
97.02892	9.0
99.04459	2.0
103.03939	0.9
103.05569	0.6
107.04948	100.0
109.02869	3.0
111.00823	1.8
111.04436	2.3
119.04936	25.7
121.02887	2.4
121.06557	0.9
123.04424	21.5
123.05327	1.3
127.03948	5.4
129.05475	13.1
131.04922	3.6
133.06500	3.0
135.04379	1.7
137.05966	1.4
139.03891	42.9
145.04944	4.6
145.06506	1.1
147.04414	8.4
147.06494	2.9
147.08107	1.2
147.30753	0.6
149.02339	4.0
149.06010	2.0
151.02724	1.4
151.03896	20.8
157.06421	0.9
161.05969	3.0
163.03897	5.5
165.05457	0.9
167.03389	0.8
173.05942	1.7
175.03918	1.1
179.03325	1.4
181.04953	2.2
185.06068	0.7
187.07600	1.2
189.05510	1.6
193.04997	2.0
199.07510	1.2
203.06995	0.9
205.04964	2.8
215.07028	4.1
227.06969	1.1
231.06500	2.4
243.06554	5.4
245.08047	10.7
249.07573	2.0
255.06526	3.8
256.87198	0.6
257.08072	44.9
267.08652	1.9
269.08133	2.4
273.07562	47.8
275.09073	2.1
279.06488	1.7
281.07965	1.2
285.07346	1.2
287.09177	1.2
297.07565	5.1
298.83868	0.8
315.08591	1.9
339.08667	2.0
344.80737	0.6
365.10202	1.4
367.11688	1.2
383.11142	1.5
417.11969	0.9
435.12860	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	581.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	0.4
53.03930	0.8
55.01876	1.3
57.03430	0.7
61.02924	0.3
61.36809	0.2
65.03915	0.3
68.99789	0.3
69.03424	0.4
69.83694	1.1
77.03899	0.2
79.05481	1.2
81.03417	0.9
85.02891	3.2
91.05488	0.3
93.03400	0.4
93.98921	0.2
95.01334	0.3
95.04964	1.7
97.02870	1.1
103.03926	0.6
103.05486	0.4
103.26517	0.3
105.04482	0.5
105.07005	0.6
107.04951	100.0
108.05289	0.7
109.02869	0.9
117.06915	0.2
119.04928	0.5
121.02874	2.2
121.06509	0.7
123.04408	0.6
129.07010	0.4
131.04921	1.3
133.06482	0.7
135.04437	0.6
139.03909	0.8
145.06474	0.6
147.04419	1.0
147.08051	0.2
149.02325	0.3
149.05972	1.2
149.12010	0.2
151.03871	1.3
153.05476	0.2
157.06567	0.4
159.04446	0.5
161.05980	1.0
163.03900	2.6
163.35423	0.2
165.05496	0.3
167.03337	0.3
169.06534	0.3
171.04402	0.6
173.05948	1.1
175.03899	1.8
177.01953	0.3
177.05469	1.9
179.03455	0.4
181.04976	1.8
185.06013	0.7
187.03894	1.9
187.07600	0.4
189.05481	1.1
191.03407	0.7
191.07030	0.5
193.04979	2.8
193.08495	0.6
197.05978	0.5
199.04048	0.5
199.07524	0.3
201.01913	0.3
201.05510	1.6
203.03378	0.8
203.07034	0.8
205.04953	5.8
207.02742	0.3
209.06033	0.3
211.03943	0.3
213.05472	1.7
215.03416	0.4
215.07048	0.4
217.04942	3.8
219.02881	0.9
219.06438	2.0
221.04439	1.2
223.05940	1.7
225.05481	0.9
227.03316	0.3
227.06981	0.9
229.04971	2.2
231.02971	0.3
231.06503	2.2
233.04422	0.6
234.04959	0.2
235.05923	2.3
237.05511	0.5
239.07086	0.4
241.04980	1.9
243.06599	1.7
245.04491	0.4
245.07988	0.4
247.05981	5.8
249.07428	0.3
251.07184	0.4
253.04918	1.0
255.06506	1.7
257.04401	0.6
257.08047	0.4
259.05997	7.7
265.04883	0.4
267.06567	0.8
269.04272	0.3
269.08148	0.3
271.05997	3.4
273.07562	1.1
277.07013	1.5
279.06479	0.8
281.04266	0.4
281.07892	0.5
283.06009	2.4
285.07510	1.6
287.05545	1.3
287.09140	1.6
288.42761	0.3
289.07056	2.9
293.08051	0.5
295.06061	0.7
297.07480	0.9
299.09033	1.7
301.07074	4.0
307.05698	0.4
309.07324	0.4
311.09064	1.6
313.07050	3.4
315.08673	0.3
317.10272	0.6
319.08145	0.5
323.09149	1.1
325.07056	3.1
327.08636	0.7
329.10205	2.9
335.08984	0.3
337.06940	0.3
339.08813	0.5
341.10245	2.3
343.08099	1.6
347.09149	0.5
353.10178	7.1
355.08286	0.7
359.09326	0.5
361.09198	0.7
365.10165	4.8
367.07880	0.4
373.09665	0.3
377.10254	2.3
383.11206	5.3
385.09424	0.8
389.10178	1.6
393.09677	0.8
395.11243	7.7
401.12097	0.5
403.11127	0.6
407.05908	0.4
407.11279	7.5
411.10519	0.5
413.12292	3.4
419.11075	6.8
421.11655	0.2
425.12366	3.6
429.11691	0.6
431.13446	14.6
432.13562	0.4
437.12314	1.0
443.13474	3.3
449.12283	7.6
461.13342	5.1
462.13678	0.2
467.13455	4.9
473.12347	0.9
479.13342	4.8
485.14453	4.9
491.13452	3.3
491.28906	0.4
497.14429	8.5
498.14536	0.5
509.14398	4.8
515.15479	0.6
527.15485	4.7
537.68976	0.2
545.16486	4.4
563.17548	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1499
Annotation	Artabotryside A
Peak:m/z	Relative Intensity
53.03938	0.3
55.01867	0.8
55.05502	0.7
57.03433	4.8
59.04992	0.5
61.02911	0.5
63.09462	0.2
65.03942	0.3
68.99792	0.7
69.03429	3.1
69.98649	0.6
69.99075	0.4
71.01350	0.9
71.04990	25.1
73.02910	1.6
75.04485	1.5
81.03420	0.6
82.29750	0.2
83.04978	2.1
85.02899	29.8
87.04459	0.7
93.03401	0.3
95.04946	0.4
97.02895	4.0
97.06527	0.3
99.04451	0.4
103.03952	0.2
108.19656	0.2
109.02867	0.7
111.00797	1.0
111.04433	2.1
113.02377	0.3
115.03925	4.5
121.02857	0.9
123.04433	0.5
127.03926	0.6
129.05472	9.8
133.04959	0.7
135.04439	0.3
137.02336	4.2
137.05954	0.2
139.03915	0.9
143.40598	0.2
147.06519	4.5
149.02330	0.5
153.01814	4.3
153.05434	0.4
155.04895	0.4
157.05013	0.2
161.06001	0.4
161.78436	0.2
163.03833	1.0
165.01823	2.2
165.07507	0.2
166.02617	0.4
169.04959	0.3
171.06540	0.9
173.06009	0.5
179.03438	0.3
181.04832	0.3
183.02922	1.1
183.04352	0.3
187.03955	0.4
191.03357	0.4
195.02850	0.3
195.06407	0.2
201.05437	1.8
207.02873	0.2
219.06551	0.4
225.07591	1.2
228.04330	0.2
229.04964	5.1
239.03421	0.3
243.08626	0.8
247.05977	0.7
257.04446	3.3
274.04816	0.9
285.03848	1.3
303.04977	100.0
304.05399	1.0
315.04990	1.8
316.05893	0.3
327.04962	0.6
341.06693	0.4
345.05923	1.7
353.06351	0.4
357.06213	0.2
369.06061	1.8
381.05957	0.6
399.07062	2.0
417.08212	1.3
435.09250	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	579.3372
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	8.7
55.01867	5.4
55.05512	49.1
57.03436	10.7
57.07062	10.3
65.03928	4.1
67.05500	59.7
68.57276	3.4
69.03429	37.0
69.07065	74.1
71.04982	54.7
71.60096	4.8
73.02909	5.1
75.04474	5.8
79.05484	29.0
81.03413	66.6
81.07053	79.4
83.04977	41.4
83.08614	39.4
85.02901	100.0
85.06537	11.5
87.04488	4.7
89.34122	3.7
91.05456	28.4
93.07040	39.8
94.64397	3.3
95.04974	20.4
95.08602	79.3
97.02891	24.7
97.06535	12.8
97.10169	34.9
99.04437	18.8
99.08092	4.7
103.03938	6.9
105.07035	23.5
107.04963	16.2
107.08572	27.0
109.02882	55.0
109.06507	7.7
109.10161	44.8
111.04443	51.0
111.08076	8.8
111.11716	14.4
113.05955	5.0
117.06998	7.2
119.04930	4.4
119.08552	23.2
121.06480	9.1
121.10115	35.1
123.04423	8.0
123.08034	5.7
123.11677	12.5
125.09621	8.8
127.03905	74.3
129.05431	21.2
130.06519	3.5
131.04918	8.1
131.08592	8.5
133.06494	5.0
133.10118	26.8
135.04414	13.0
135.11697	39.1
137.05992	16.1
137.09605	6.4
137.13266	6.2
139.03809	3.6
139.11150	8.5
139.28247	4.0
145.04887	8.6
145.10120	5.6
147.04378	13.3
147.06506	10.7
147.08026	4.0
147.11707	21.3
148.56699	3.6
149.05920	5.5
149.09596	6.1
149.13274	10.1
151.03912	7.1
151.07553	4.4
151.11169	9.6
151.14809	3.9
152.83276	4.0
159.11646	6.7
161.05893	6.6
161.13235	14.9
163.03879	27.5
163.07530	5.4
164.04242	8.4
165.12816	5.0
167.07005	28.9
175.14900	5.5
177.05441	5.0
179.14279	5.4
181.05006	8.1
181.08589	4.0
191.07051	9.5
193.05023	4.9
207.06514	4.5
209.08009	6.5
217.19450	27.2
233.18959	7.9
235.20534	41.7
237.07465	17.5
251.20132	6.1
253.21631	48.1
271.06189	5.7
271.22681	5.8
295.22604	8.7
325.21588	4.8
333.24170	4.6
337.23578	4.1
343.22729	18.1
361.23691	38.7
379.24765	90.8
379.49139	4.0
397.21048	7.7
397.25858	92.3
415.26776	21.7
417.23547	5.0
525.30487	18.1
543.31763	4.5
579.21429	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	579.3891
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	6.6
55.01867	10.7
55.05507	22.3
57.03437	8.7
57.07091	6.3
61.22471	3.8
65.03937	5.6
67.05502	100.0
69.03447	3.4
69.07059	19.8
70.54136	3.3
71.04981	6.4
73.99644	3.7
79.05489	62.2
80.33404	3.3
81.03415	10.4
81.07053	94.9
81.07522	6.1
83.04972	20.2
83.08632	12.6
85.06550	5.1
87.04485	5.6
89.05991	3.7
91.05492	38.2
93.07043	69.8
95.04983	18.0
95.08604	57.9
97.06538	14.9
97.10176	6.8
98.21498	11.4
105.07037	29.2
107.04944	23.1
107.08594	40.7
109.06507	5.8
109.10160	36.9
111.04425	20.1
111.08074	6.8
114.12381	4.1
117.07010	14.6
119.08579	32.3
121.10141	41.4
123.08025	6.3
123.11692	12.1
125.05968	3.8
125.09592	6.0
129.07013	6.6
131.08542	22.2
133.10106	18.2
135.08073	6.7
135.11678	37.6
137.13353	3.5
145.06438	3.9
145.10115	36.9
147.08003	4.5
147.11693	12.3
147.30815	3.4
149.09612	5.7
149.13257	7.4
153.12781	8.7
157.10196	5.3
159.11688	10.4
161.09529	4.5
161.13217	8.5
163.11131	28.2
164.46321	3.6
165.12727	4.3
171.11719	5.1
173.09616	17.8
173.11879	3.8
173.13283	9.9
181.12260	12.2
187.14780	6.2
191.10687	22.6
209.11758	5.5
210.41656	4.0
227.12759	21.9
227.20067	12.4
229.63438	3.7
243.21149	6.4
261.22089	27.6
265.14389	32.2
267.15735	4.3
271.05975	11.5
279.23273	8.0
283.15430	54.5
299.14944	4.0
301.16467	35.9
317.24619	3.9
335.25848	36.9
451.32166	7.5
469.33362	10.6
489.35962	4.3
503.08469	4.0
515.36816	8.6
525.35754	11.9
533.37738	4.3
543.36774	36.8
561.37781	41.3
579.38916	10.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.3891
Annotation	Fungicide K 99-5278C
Peak:m/z	Relative Intensity
53.03954	6.6
55.01867	10.7
55.05507	22.3
57.03437	8.7
57.07091	6.3
61.22471	3.8
65.03937	5.6
67.05502	100.0
69.03447	3.4
69.07059	19.8
70.54136	3.3
71.04981	6.4
73.99644	3.7
79.05489	62.2
80.33404	3.3
81.03415	10.4
81.07053	94.9
81.07522	6.1
83.04972	20.2
83.08632	12.6
85.06550	5.1
87.04485	5.6
89.05991	3.7
91.05492	38.2
93.07043	69.8
95.04983	18.0
95.08604	57.9
97.06538	14.9
97.10176	6.8
98.21498	11.4
105.07037	29.2
107.04944	23.1
107.08594	40.7
109.06507	5.8
109.10160	36.9
111.04425	20.1
111.08074	6.8
114.12381	4.1
117.07010	14.6
119.08579	32.3
121.10141	41.4
123.08025	6.3
123.11692	12.1
125.05968	3.8
125.09592	6.0
129.07013	6.6
131.08542	22.2
133.10106	18.2
135.08073	6.7
135.11678	37.6
137.13353	3.5
145.06438	3.9
145.10115	36.9
147.08003	4.5
147.11693	12.3
147.30815	3.4
149.09612	5.7
149.13257	7.4
153.12781	8.7
157.10196	5.3
159.11688	10.4
161.09529	4.5
161.13217	8.5
163.11131	28.2
164.46321	3.6
165.12727	4.3
171.11719	5.1
173.09616	17.8
173.11879	3.8
173.13283	9.9
181.12260	12.2
187.14780	6.2
191.10687	22.6
209.11758	5.5
210.41656	4.0
227.12759	21.9
227.20067	12.4
229.63438	3.7
243.21149	6.4
261.22089	27.6
265.14389	32.2
267.15735	4.3
271.05975	11.5
279.23273	8.0
283.15430	54.5
299.14944	4.0
301.16467	35.9
317.24619	3.9
335.25848	36.9
451.32166	7.5
469.33362	10.6
489.35962	4.3
503.08469	4.0
515.36816	8.6
525.35754	11.9
533.37738	4.3
543.36774	36.8
561.37781	41.3
579.38916	10.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.3375
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27132	4.3
53.03934	12.2
53.56349	3.9
55.01850	10.2
55.05505	51.0
57.03431	10.9
57.07066	12.0
67.05498	56.9
69.03429	40.2
69.07061	73.9
70.55065	13.1
70.55412	5.0
71.04996	51.5
73.02913	5.5
79.05486	28.0
81.03404	64.5
81.07053	88.7
83.04987	41.9
83.08620	37.6
85.02902	98.9
85.06526	14.1
87.96504	3.8
91.05453	33.7
93.07038	37.4
95.04942	18.5
95.08603	74.6
97.02873	25.0
97.06520	14.4
97.10170	41.5
98.21357	6.0
99.04443	16.8
99.08079	7.8
103.03918	7.7
103.05465	5.7
105.07028	26.8
107.04937	18.4
107.08596	36.0
109.02866	64.8
109.06506	5.8
109.10144	43.6
111.04439	60.2
111.08086	8.4
111.11722	11.9
115.05448	7.9
117.03342	4.8
117.06966	6.4
119.04924	9.7
119.08585	27.3
121.06505	12.4
121.10132	35.4
123.04412	12.3
123.08063	7.1
123.11726	12.1
125.05993	6.1
125.09561	6.0
127.03903	83.2
129.05452	23.8
129.07033	6.4
131.04872	9.4
131.08524	5.6
133.10106	33.7
135.04427	13.7
135.08063	6.7
135.11702	33.4
137.05928	13.7
137.09592	11.9
137.13255	9.3
139.03888	7.2
139.11189	5.0
142.07884	5.3
145.04947	11.3
145.06471	4.8
145.10040	5.2
147.04373	18.3
147.06435	5.6
147.11708	23.3
149.05951	5.5
149.13303	8.5
151.11137	7.6
153.12709	5.0
161.06007	7.1
161.09540	5.0
161.13231	18.4
163.03867	32.7
163.07547	9.1
163.12717	5.4
164.04196	7.1
165.08920	4.5
165.12755	7.9
167.07043	34.6
171.06467	4.8
175.14761	4.8
181.04948	7.9
181.08571	7.3
191.07048	9.1
193.19487	5.0
209.08084	9.5
217.19469	36.6
231.80655	4.8
235.20549	35.1
237.07565	20.0
251.19936	8.6
253.21635	40.6
255.08655	6.1
271.22626	8.6
271.99167	4.7
295.22882	5.1
337.23355	6.4
339.34119	4.7
343.22696	20.1
361.23782	51.1
379.24792	87.6
397.25821	100.0
415.27060	27.2
463.69443	5.2
507.29477	6.5
525.30359	24.0
579.21283	10.9
579.29785	6.7
580.32904	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	579.2931
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.7
55.01870	2.2
55.05513	16.8
57.03438	9.3
57.07063	4.9
65.03922	2.1
67.05504	60.9
69.03408	1.4
69.07067	14.8
70.04325	1.1
71.04982	3.3
71.08629	2.4
71.58241	1.7
73.02906	1.2
79.05489	23.5
81.03416	13.5
81.07054	65.1
83.04971	3.9
83.08619	10.9
85.02947	1.4
85.06535	1.8
91.05472	17.0
92.89650	1.1
93.06458	2.0
93.07040	28.3
95.04955	5.5
95.08605	53.6
97.06528	5.4
97.10166	6.9
98.98464	92.8
99.04433	1.9
99.08044	2.1
105.07030	10.4
107.04910	2.0
107.08596	18.8
109.02883	5.2
109.06489	1.0
109.10152	27.8
111.04402	1.8
111.08087	3.8
111.11701	1.3
113.09622	1.1
116.99498	3.4
117.07012	3.4
119.08577	10.1
121.10139	20.9
123.08086	1.6
123.11714	11.5
125.09642	2.2
127.03928	2.2
127.11195	1.3
131.08556	5.2
133.10147	11.3
135.08153	1.0
135.11690	10.3
137.09619	1.4
137.13271	5.3
139.11159	1.8
140.01140	1.1
141.12718	1.2
143.08604	1.7
145.10109	5.2
147.04410	3.8
147.11694	7.0
149.09621	1.7
149.13258	6.8
149.14336	0.9
151.11163	1.3
151.14824	4.0
153.12784	1.8
155.01036	100.0
155.08488	1.2
159.11674	3.5
161.13269	5.2
163.11232	2.8
163.14792	4.9
165.12862	1.6
165.16357	2.6
173.02132	1.3
173.09637	1.2
173.13203	2.3
175.14871	4.0
179.14256	0.9
179.17856	0.9
181.15738	1.0
183.11441	1.1
187.14767	1.0
189.16489	1.4
191.10573	0.9
203.17903	1.5
225.09491	1.2
227.12817	2.4
243.02570	2.3
243.21025	3.4
245.22675	14.0
261.22165	8.1
263.23703	28.0
265.14279	2.1
271.06006	4.2
277.21600	1.7
279.23178	1.9
283.15427	1.6
299.05338	2.2
301.16296	2.7
307.99258	1.0
317.06238	13.2
319.26285	1.3
335.07394	1.3
335.25851	5.4
337.27353	72.6
349.42566	1.0
353.26947	6.4
407.28110	1.4
425.28976	5.0
451.31918	1.6
469.33588	1.3
489.35632	3.3
543.36639	4.3
561.27875	3.7
561.37640	5.7
579.39130	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2829
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45637	1.4
53.03936	2.9
54.51928	1.1
54.92153	1.3
55.01873	3.1
55.05513	13.2
57.03441	6.3
57.07063	3.9
65.03954	1.5
67.05505	78.0
69.03426	5.2
69.07070	14.3
71.04963	1.5
71.08632	2.0
71.33804	1.5
71.34135	2.0
73.02924	3.3
74.01173	1.2
75.04437	1.5
79.05060	2.1
79.05492	34.4
81.03419	6.4
81.07056	84.0
83.04962	1.8
83.08622	10.6
85.02888	3.5
85.06542	3.0
91.05477	15.3
93.07045	44.0
95.04945	5.2
95.08608	63.7
97.02890	1.6
97.06543	3.3
97.10165	4.6
98.98467	32.8
99.04449	3.2
99.08099	2.7
105.07038	21.3
107.08591	35.2
109.02892	7.2
109.06544	1.5
109.10159	37.2
110.03668	2.8
111.04458	3.3
111.08087	2.6
111.11636	1.6
112.43894	1.2
116.99480	2.1
117.07039	8.5
119.08575	14.9
121.10146	30.1
123.11705	19.0
127.03941	6.2
131.08562	17.9
133.10147	13.6
135.11697	23.0
137.13242	8.8
139.11121	1.8
145.10120	17.0
147.11719	11.1
149.13257	16.1
151.11220	2.7
151.14789	4.0
155.01047	37.1
157.10106	1.8
159.11688	14.8
161.13237	10.0
163.14806	13.0
165.12747	2.7
171.11674	1.8
173.13257	14.1
175.14876	3.7
177.12778	1.4
177.16457	5.3
181.15865	1.4
187.14859	7.9
191.00153	3.6
191.14352	2.0
201.16435	2.3
233.22664	2.6
243.21080	29.8
245.22655	6.4
261.22137	100.0
262.22168	1.4
263.23645	13.0
279.23199	6.4
303.23022	1.8
317.06381	6.0
317.24841	1.6
335.25867	20.7
337.27371	28.2
353.26852	87.7
369.24274	1.8
377.26962	2.1
389.26797	1.3
425.28668	2.0
433.20590	2.2
451.21539	2.1
487.23746	2.7
561.27637	8.1
579.28271	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	579.283
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84555	0.9
53.03943	3.7
55.01859	3.4
55.05509	12.5
57.03437	6.4
57.07066	3.9
65.03939	2.5
67.05504	76.0
68.05828	1.5
69.03415	4.1
69.07062	14.8
69.63153	8.4
71.04966	2.2
71.08624	2.0
73.02905	4.4
77.03954	1.1
79.05489	35.1
81.03413	7.5
81.07054	83.6
82.07396	1.2
83.04985	2.2
83.08621	7.9
85.02895	4.5
85.06532	3.3
91.05481	20.2
93.03461	1.0
93.07043	50.1
94.07372	1.3
95.04965	3.8
95.08609	65.0
97.02863	2.0
97.06508	3.0
97.10165	4.6
98.20682	1.9
98.98461	21.3
99.04445	4.8
99.08077	2.3
100.98866	1.5
105.07036	17.7
107.08587	33.6
109.02872	11.1
109.06541	1.7
109.10155	35.6
110.03645	4.1
110.10473	1.3
111.04436	4.3
111.08105	3.1
115.05415	1.3
115.64758	1.2
117.07011	8.8
119.08578	15.8
121.10136	31.4
123.11707	20.7
125.09603	1.6
127.03900	5.3
131.08554	20.5
132.99580	1.5
133.10135	16.4
135.08047	1.3
135.10683	1.7
135.11697	25.6
137.09590	2.9
137.13239	10.3
139.11150	1.1
143.08527	1.6
145.10120	16.2
147.04483	2.2
147.11687	13.7
149.09657	1.3
149.13260	19.2
149.57484	1.0
151.11171	2.6
151.14801	2.7
153.12750	2.1
155.01048	19.7
157.10083	1.6
159.11694	14.0
161.13231	8.7
163.14822	12.8
165.12730	1.9
173.13263	16.3
175.14824	4.2
177.12787	1.8
177.16400	4.4
179.14304	1.5
187.14827	8.0
191.00095	4.0
191.14255	1.6
201.16461	2.5
203.17891	1.1
205.15973	1.2
215.66673	1.2
219.17516	1.3
233.22681	3.6
243.21092	28.1
243.23599	1.4
245.22581	1.6
261.22131	100.0
262.22504	2.7
263.23691	8.5
277.21710	1.5
279.23154	5.6
303.23102	2.4
317.06216	1.6
317.24768	1.5
335.25867	22.3
336.26410	1.6
337.27328	15.7
353.26871	89.9
354.27454	2.4
369.23978	1.6
377.26883	2.7
402.79141	1.1
425.28955	1.3
443.28290	2.1
450.76224	1.2
469.22375	2.1
487.23691	1.8
508.25479	1.2
543.26471	2.1
543.36896	2.1
550.69476	1.3
561.27216	10.6
561.36169	1.5
579.28247	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	579.2069
Annotation	Podorhizol beta-D-glucoside
Peak:m/z	Relative Intensity
53.03936	0.8
55.01864	0.5
55.76710	0.4
56.39867	0.4
65.03925	0.9
67.05494	0.6
69.03419	1.2
71.04965	0.8
71.62463	0.6
76.10487	0.4
78.04683	1.2
79.05488	1.0
81.03416	1.0
82.76796	0.4
85.02885	2.7
86.18445	0.4
91.05467	1.2
92.49597	0.4
95.04995	1.1
97.02895	1.1
103.05447	1.4
106.04154	0.8
107.04940	1.5
110.03654	0.7
115.05435	1.9
117.07007	4.1
123.04435	5.1
124.05217	2.0
127.03845	0.6
127.05421	0.7
131.04926	0.6
134.03539	0.5
145.06461	8.2
146.33734	0.4
147.04408	1.4
151.03854	1.8
152.04713	1.0
155.06021	1.8
161.06024	1.1
163.03891	1.8
165.05515	0.6
167.07034	100.0
168.07350	1.1
171.06552	1.4
173.05980	19.3
177.05545	0.5
181.04942	23.2
187.85167	0.5
191.07077	1.0
201.05472	1.0
202.73439	0.5
205.08594	4.5
233.08086	5.6
235.09662	4.2
271.06039	3.0
271.09457	0.6
351.60370	0.5
356.12845	0.5
387.14362	16.3
388.14615	0.6
400.95084	0.5
417.15439	10.7
418.15009	0.6
433.15210	0.5
579.20715	60.8
580.21057	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	579.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85218	0.2
53.03927	0.5
55.01870	0.4
56.01588	0.2
57.56926	0.2
61.02916	0.3
64.03159	0.2
65.03916	0.8
67.05492	0.4
69.03436	1.9
70.18590	0.9
71.04974	0.6
73.02890	0.3
78.04705	2.1
79.05463	0.9
81.03391	0.9
82.04186	0.5
85.02436	0.3
85.02903	3.2
85.03378	0.4
91.05456	0.9
95.04948	0.9
97.02886	1.2
97.06541	0.3
99.04391	0.3
103.05443	0.8
104.47684	0.3
105.03329	0.3
106.04160	0.8
107.04949	1.1
109.02876	0.3
110.03667	0.4
111.04440	0.4
115.05433	2.4
117.07015	5.5
120.47413	0.3
121.02886	0.6
123.04424	8.8
124.05216	2.2
127.03904	1.0
127.05431	0.8
131.04863	0.5
133.06563	0.3
135.04408	0.3
137.05992	0.3
138.03062	0.4
139.03865	0.4
142.02565	0.3
145.06476	9.7
147.04338	0.7
147.08058	0.7
151.03917	0.8
152.04694	1.9
155.06026	2.1
160.03163	0.2
161.05959	0.4
163.03867	0.7
165.05501	0.7
167.07031	100.0
168.07352	0.7
171.06456	1.2
173.05980	19.7
174.06584	0.3
175.07570	0.6
181.04950	19.9
187.03973	0.3
189.05618	0.4
201.05490	0.9
205.04913	0.3
205.08592	4.0
217.04854	0.3
231.04909	0.4
232.05148	0.3
233.08067	4.4
235.09633	3.8
247.06120	0.3
259.06070	0.2
271.09769	0.7
273.07693	0.3
274.01923	0.3
280.07440	0.2
290.50656	0.3
313.07483	0.2
351.08401	0.2
369.13474	0.4
387.14389	12.1
417.15436	8.6
423.10577	0.3
433.14890	1.2
435.10873	0.2
447.13165	0.5
465.11459	0.4
513.13959	0.5
579.20667	52.2
580.21063	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1707
Annotation	Kaempferol 3-rhamnoside-(1->2)-rhamnoside
Peak:m/z	Relative Intensity
50.66178	0.5
53.03925	0.6
55.01839	0.6
55.05472	1.4
57.03434	5.3
61.02916	0.5
65.03908	0.7
68.99768	0.6
69.03382	2.0
71.04990	23.5
71.59156	1.0
73.02918	2.4
75.04471	6.6
78.04678	0.5
79.05468	0.9
81.03383	0.8
81.45601	0.5
83.04988	4.7
84.12656	0.4
85.02901	28.7
85.06493	0.5
87.04429	1.2
91.05426	1.5
93.07001	0.6
95.04910	1.3
97.02875	0.8
103.05431	1.2
105.06998	0.8
107.04938	1.1
109.02766	0.6
111.04454	4.0
113.05942	1.5
115.05412	1.0
117.06971	1.6
119.04910	0.9
121.02866	3.1
121.06444	0.8
123.04386	1.7
124.05166	0.8
125.05934	0.4
127.03853	1.2
129.05466	9.8
131.04907	0.8
131.07036	0.9
133.02811	0.5
135.04362	0.5
137.05994	0.8
145.06477	3.1
147.04366	2.2
147.06528	2.4
149.05946	0.6
149.67175	0.5
151.03809	0.8
151.07567	0.7
152.04562	0.5
153.01833	2.5
153.05405	0.8
155.06001	0.7
161.05902	0.8
163.03860	0.7
163.05948	0.8
165.01822	1.1
167.07030	31.1
173.05983	5.6
177.05392	0.7
180.31729	0.4
181.04941	9.0
191.06979	1.3
195.81847	0.5
205.08539	1.3
213.05464	0.9
225.53088	0.5
233.07974	1.4
235.09627	1.2
239.08984	0.8
258.05161	0.8
259.06061	0.8
286.04691	0.7
287.05490	100.0
288.05951	0.7
299.05499	2.0
301.07141	2.9
311.05511	0.9
325.06906	0.7
329.06732	3.0
353.06552	2.7
379.08228	1.0
387.14401	4.2
397.09149	3.4
415.10336	1.4
417.15329	4.0
433.11218	7.3
547.19537	1.0
579.20715	20.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1699
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	7.2
57.03441	4.6
61.71235	2.4
62.50373	2.4
67.06351	2.4
68.99785	5.2
69.03423	4.1
71.04994	12.0
71.62244	3.9
73.02927	3.9
79.05488	5.3
81.03437	7.0
81.07084	2.9
85.02911	30.5
91.05487	7.6
93.03386	6.1
93.07036	2.8
95.04935	5.1
95.08599	5.8
97.02890	11.3
98.97546	2.9
99.04462	2.5
103.03965	3.9
103.05441	4.3
105.03411	2.5
105.07042	2.9
107.04951	35.4
109.02851	12.8
111.00846	4.4
111.04437	7.0
115.03841	2.2
115.05470	3.4
117.03400	2.6
117.06969	5.0
118.56947	2.5
119.04947	8.8
121.02853	22.2
121.06516	6.2
123.04432	42.0
127.03913	73.2
127.04798	5.3
129.05461	3.5
131.05003	6.3
133.06500	9.6
135.04407	41.7
137.02374	5.2
137.06056	6.1
139.03908	25.3
145.06496	7.4
147.04411	24.7
149.02377	7.1
149.05986	6.9
151.03894	10.2
157.06474	2.2
159.04410	10.5
161.05942	12.1
163.03886	45.6
165.01892	5.7
165.05449	4.9
167.03357	5.7
167.06995	12.4
168.49001	2.1
171.04372	4.0
173.05974	15.9
175.00200	2.9
175.03871	4.8
177.01851	9.6
177.05440	11.4
181.04993	5.0
181.72426	2.5
183.02975	5.5
185.05989	2.6
187.03859	12.3
189.01863	15.3
189.05382	5.8
191.03430	15.5
193.04848	4.4
195.02859	31.0
197.06050	5.2
199.03896	3.7
201.01869	5.0
201.05463	19.3
203.03413	14.6
205.01349	2.7
205.04973	7.8
207.02876	21.4
209.04318	2.9
213.05527	3.6
215.03401	11.3
215.07155	5.0
217.05016	5.6
219.02911	77.8
221.00766	4.2
221.04399	8.2
223.02417	8.6
225.03708	17.7
225.05836	3.9
227.03401	3.0
229.05016	26.1
229.07120	4.4
231.02905	38.9
233.04443	24.0
241.04912	7.5
243.02867	24.3
243.06522	9.4
245.04501	12.0
247.05974	13.3
249.03957	29.8
251.05455	5.8
255.02895	6.0
257.04526	27.2
259.02344	4.5
259.05960	7.6
261.03940	100.0
263.05661	2.7
269.04431	13.3
271.02866	4.1
271.06030	28.1
271.09619	21.4
273.03967	31.0
275.05609	13.7
275.08078	2.8
279.94247	2.3
281.04373	5.0
283.06076	4.6
283.09573	2.5
285.03946	56.1
285.07004	2.6
287.05371	15.6
289.03470	3.4
289.07025	8.4
291.04990	23.3
291.08594	7.2
297.03973	18.8
297.07660	11.2
299.05493	13.4
301.07010	5.8
303.04947	24.7
307.04376	2.7
309.03571	5.2
315.04980	11.4
321.06110	12.6
321.80200	2.6
327.05017	47.0
327.08603	9.5
339.08279	30.4
345.06113	15.8
351.04654	3.4
351.08530	19.0
357.05896	8.7
363.07101	38.8
369.05936	8.7
375.07364	6.3
381.09656	31.9
387.07211	6.1
393.09119	21.3
404.16690	7.3
404.66977	2.6
405.08624	30.8
409.09106	18.8
411.10748	10.9
413.11160	3.4
417.09915	9.0
423.10028	25.2
427.10144	5.5
429.11899	34.2
433.14890	18.2
441.10712	33.8
447.10754	27.8
459.12885	37.3
465.11777	9.7
477.11792	8.2
483.12778	25.3
489.11322	3.0
495.12756	19.5
507.12732	11.5
513.14252	3.0
525.13824	14.4
543.15094	16.7
579.20544	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	579.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.7
55.01872	2.2
56.05029	0.5
56.96568	2.3
57.03434	6.8
59.04984	0.5
61.02921	3.0
62.95090	0.3
65.03946	0.6
66.92945	0.3
67.01865	0.4
67.05516	0.5
67.22095	0.3
68.99784	2.9
69.03069	0.5
69.03426	8.3
69.28770	1.0
69.29192	2.2
71.01325	0.6
71.04993	8.0
72.05313	0.3
72.08154	0.4
73.02917	9.9
74.03248	0.5
74.97633	0.3
75.04475	0.5
79.05473	0.5
81.03411	4.7
83.04974	0.9
84.04502	10.6
84.96021	0.8
85.02902	23.2
85.04819	1.8
86.03245	1.7
87.04470	1.5
89.03916	0.9
91.03949	1.2
91.04962	0.4
91.05479	4.3
92.05807	0.4
93.03409	0.6
93.07053	0.5
95.04968	1.2
97.02888	8.7
98.03217	0.7
98.20762	0.5
98.97579	6.5
99.04449	2.3
99.94678	0.3
99.97914	0.5
101.02339	0.4
101.06052	0.3
102.05550	3.5
103.05361	0.3
103.05933	0.5
105.03387	0.8
105.07028	0.4
107.04948	3.3
109.02882	3.6
110.01247	0.3
110.97587	0.9
111.00771	2.1
111.04439	2.5
112.99172	0.7
113.25067	0.3
115.03938	2.1
115.05406	0.4
116.98622	5.0
117.03358	0.7
117.07043	0.3
117.98937	0.3
119.01897	1.7
119.04942	4.7
120.97894	0.4
121.02880	1.2
121.06537	1.6
123.04427	30.4
124.04738	0.4
125.01725	0.4
127.03912	100.0
128.02307	0.6
128.04263	1.3
128.98613	2.0
129.05487	2.0
130.04997	5.4
130.05905	0.5
131.00168	1.7
131.01869	0.6
131.04883	1.5
131.08537	0.3
133.04945	0.5
134.99660	2.8
135.04408	24.9
137.02312	2.5
137.05971	3.7
138.06319	0.3
139.03897	35.8
140.02303	0.5
141.01797	0.3
141.06964	0.7
143.00156	1.3
143.01857	1.0
143.04936	0.5
145.01717	0.5
145.03799	0.3
145.04958	3.4
145.06477	0.5
146.02336	0.7
146.99654	3.1
147.03239	0.6
147.04398	4.8
148.06039	13.7
149.01204	2.2
149.02367	3.5
149.06389	3.9
151.03906	6.5
151.07542	2.7
152.02307	0.3
153.00604	0.5
153.06978	0.4
155.01767	0.4
155.02924	1.3
155.04913	0.7
155.53033	0.4
157.03513	0.6
157.06511	0.9
158.99684	2.5
159.04372	2.3
161.01245	2.4
161.02853	1.3
161.05980	3.1
162.03427	0.4
162.99156	0.5
163.03900	35.1
164.04282	1.1
165.00687	0.5
165.04144	0.5
165.05478	4.2
167.03415	6.8
169.04468	0.7
169.06464	1.5
170.99649	1.9
171.04840	0.6
173.01213	1.1
173.02927	1.7
173.04668	0.5
173.05956	2.5
174.03146	0.3
174.99123	0.3
175.02600	0.6
175.03967	2.5
175.07471	0.3
176.03329	0.6
176.06055	0.6
176.56129	0.4
177.00706	4.1
177.02173	0.4
177.04083	1.2
177.05518	3.4
178.03621	0.4
178.04909	1.0
179.02103	0.5
179.03410	2.5
179.04515	0.2
179.07101	0.5
181.04956	0.4
181.06422	0.4
182.03397	0.9
182.53502	0.3
182.99620	0.4
183.04521	0.4
184.04955	1.8
185.01361	0.6
185.02980	1.0
185.06006	0.6
186.04720	3.2
187.02431	0.4
187.03937	5.1
187.07521	0.7
188.04562	0.4
189.00708	2.8
189.05493	1.5
189.55772	0.3
191.01875	0.5
191.03453	8.8
191.54132	0.6
193.01881	0.5
193.05101	3.7
195.01642	0.5
195.05147	0.4
197.01237	0.4
197.05959	3.0
197.55582	0.3
198.09314	0.3
199.04454	0.4
200.04480	1.8
200.54521	0.6
201.00682	2.6
201.05504	5.3
203.03465	6.4
203.07059	1.7
204.04094	0.4
204.56279	0.4
205.00150	0.4
205.05057	2.0
207.01711	0.3
207.06587	0.9
209.03302	0.5
211.02786	0.6
213.05521	1.0
215.03455	1.2
215.07077	2.3
217.04898	1.0
219.01755	6.1
220.02109	0.3
221.05046	0.5
223.01144	0.5
223.04771	0.6
225.05469	1.2
229.05035	5.1
231.01775	0.7
231.06631	1.5
233.04495	4.6
235.02873	0.6
235.05559	0.9
235.55595	0.3
236.06129	0.3
236.56137	0.3
237.00566	0.4
237.02811	7.5
237.05472	0.9
238.03180	0.9
241.02287	0.3
241.05052	1.3
242.06244	0.9
243.01831	0.9
243.06557	4.3
245.04663	6.0
246.05441	0.8
247.06053	11.1
248.04935	0.4
249.02782	0.4
249.08105	0.4
251.05534	1.3
253.05011	0.7
255.03883	0.8
255.06584	1.1
257.04398	7.9
257.08322	0.3
257.58807	0.3
258.06793	0.6
259.06009	8.3
260.04391	0.5
261.02902	2.2
261.07898	0.5
264.07608	0.5
264.57904	0.3
265.07538	0.9
266.09143	0.7
266.59378	0.4
267.07233	2.8
267.09604	0.3
268.07260	0.6
269.04431	1.9
271.06021	16.6
272.06543	1.7
272.30389	0.3
272.56778	1.2
273.02942	0.4
273.07657	1.9
273.58463	0.6
274.08286	1.8
274.58240	0.9
275.05493	13.0
279.03897	1.5
280.04102	0.4
280.06931	0.4
281.07123	5.1
281.57129	3.6
282.07330	1.1
282.57251	1.2
283.06116	5.5
287.05490	15.6
289.07062	12.4
291.03815	0.6
291.08615	10.4
297.07703	0.4
299.05521	3.3
301.07059	10.1
303.08752	1.9
315.09158	0.6
316.08075	0.7
317.09344	0.9
317.59161	1.4
318.08826	0.4
321.04886	0.7
323.08868	1.4
323.58987	0.7
324.10049	1.0
324.60571	0.5
325.08865	1.4
325.58932	0.6
326.09424	2.0
326.59637	2.9
327.09030	1.0
332.09320	1.3
332.59686	0.9
333.09860	0.4
334.08792	0.4
337.05600	0.5
339.07443	1.1
340.07877	0.6
341.10095	2.8
341.60236	1.1
348.09897	1.7
349.09216	0.4
351.11502	0.7
352.11624	0.8
353.07550	0.9
355.06790	0.6
355.10626	1.1
356.11032	0.4
362.09805	1.0
362.59799	2.0
363.09888	1.4
363.60306	0.6
365.09219	0.5
367.09061	1.1
371.08484	0.7
373.08032	1.3
387.14963	0.3
392.11670	1.9
392.61743	0.5
398.11844	0.6
399.12335	2.1
399.62238	0.5
405.14322	0.7
406.11328	1.1
406.61459	0.7
407.12006	0.8
407.62244	1.7
408.12775	3.4
408.62863	0.7
409.09183	19.3
411.10593	2.1
413.11075	1.3
413.61331	2.2
414.11554	0.8
421.09402	1.1
422.12500	0.9
422.62582	0.5
427.10229	5.3
435.11118	0.4
439.10406	1.0
441.09473	0.4
453.12152	0.5
469.10040	1.1
471.11612	0.5
579.15692	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1494
Annotation	ent-Epicatechin-(4alpha->8)-ent-epicatechin
Peak:m/z	Relative Intensity
53.03954	0.7
55.01864	1.1
65.03942	0.9
67.01843	0.5
67.05509	0.6
68.04910	0.5
68.99780	3.6
71.32281	0.7
79.05492	0.7
81.03396	2.4
83.05007	0.7
85.02901	0.6
89.03930	0.9
91.05511	0.6
93.03445	0.6
95.04964	1.3
99.04440	0.9
103.05474	0.6
105.03418	0.6
107.04964	2.9
109.02874	2.1
111.00797	1.7
111.04420	2.4
115.05475	0.8
117.03333	0.4
117.66074	0.5
119.04959	1.2
121.02862	1.2
123.04426	33.6
127.03914	100.0
129.07103	0.4
131.04955	2.0
135.04413	26.6
137.02333	2.3
139.03899	37.1
141.07018	1.1
143.04892	0.8
145.06480	0.5
147.04405	3.9
149.02373	2.8
149.05988	1.3
151.03888	6.9
155.04906	0.8
157.06474	0.9
159.04395	2.9
161.05997	2.8
163.03903	33.1
165.05473	5.0
167.03400	6.1
169.06508	1.6
173.06000	2.6
175.03903	2.4
175.07626	0.6
177.05435	3.4
179.03348	3.2
183.04355	0.7
185.05972	0.9
187.03865	4.7
189.05486	1.8
191.03387	8.9
193.04950	2.9
197.05991	2.7
201.05455	5.0
203.03387	7.0
203.07065	2.0
205.04996	2.5
207.06468	0.6
213.05537	0.9
215.03342	1.1
215.07053	2.7
217.04997	1.3
219.06516	0.5
225.05536	1.3
229.04959	5.8
231.06557	1.3
233.04462	3.4
238.71538	0.4
239.00130	0.5
241.05003	1.1
243.06558	4.4
245.04482	4.4
247.06023	13.1
251.05481	1.5
253.05054	0.7
255.06422	1.1
257.04453	7.2
259.06052	9.1
261.07669	0.6
269.04428	1.0
271.06012	19.6
273.07507	1.4
275.05490	17.1
283.05951	4.8
287.05496	17.1
289.03818	0.9
289.07050	17.5
291.08633	14.9
299.05551	3.3
301.07062	13.2
303.08685	2.2
315.08624	0.7
325.07254	0.5
409.09177	25.9
410.09583	0.5
411.10956	3.5
421.09280	1.6
427.10306	7.0
435.10974	0.8
439.10233	1.2
463.00903	0.6
545.77240	0.5
579.14752	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.3534
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33215	3.4
52.68456	3.3
55.01867	11.2
55.05506	17.2
56.96572	4.5
57.03436	13.0
61.02908	5.1
62.10682	2.9
63.72473	3.2
64.72687	3.7
67.05502	55.0
69.03428	7.1
69.07059	26.0
71.05000	18.6
71.33933	10.1
71.40154	3.1
73.02910	5.0
79.05494	35.5
81.03425	16.7
81.07057	84.9
83.04992	10.1
83.08620	10.2
83.30265	3.6
85.02906	9.9
86.54533	3.6
91.05458	35.1
91.46877	3.6
93.07045	50.2
95.04971	12.7
95.08612	32.9
97.02864	8.1
97.06538	16.9
97.10149	4.8
98.16732	3.2
99.08099	4.2
104.09113	3.3
105.07020	23.9
107.04969	10.0
107.08578	33.4
109.06503	4.6
109.10168	28.4
111.04472	3.4
111.08018	3.7
117.07010	14.1
119.04993	5.9
119.08594	22.9
121.06498	4.7
121.10166	19.5
123.11709	11.3
125.09607	7.5
127.03915	7.4
131.08585	20.9
133.06563	5.5
133.10143	19.1
135.11678	19.3
145.10110	12.8
147.04436	14.0
147.11702	14.5
149.09637	14.3
149.13232	15.4
153.12712	5.0
157.10054	3.4
159.11694	23.8
161.13300	7.5
163.03931	4.1
163.11208	16.4
171.11673	5.1
173.04329	3.5
173.13219	6.5
173.86908	3.3
177.12708	19.8
187.11215	3.9
189.11244	3.7
193.12410	3.8
197.13397	3.9
229.14268	6.4
235.56409	3.5
239.18002	5.6
251.16281	4.7
255.15915	14.7
257.18900	9.3
269.17471	100.0
274.02979	3.6
275.20047	30.6
349.23734	76.3
367.24808	6.1
381.26279	9.1
387.28146	3.8
413.21881	7.1
488.48822	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	578.3522
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	4.2
55.01867	7.1
55.05507	15.0
56.09016	2.8
56.96564	5.8
57.03429	9.5
61.02909	5.7
67.05503	50.9
67.94351	3.0
69.03424	5.8
69.07066	23.2
70.56591	5.8
70.56982	5.7
71.04990	16.4
73.06545	4.3
79.05489	36.3
79.85515	2.9
81.03414	16.2
81.07055	63.1
83.04990	9.2
83.08614	15.7
85.02898	11.8
85.06541	3.8
91.05474	31.1
93.07040	48.5
95.04942	12.3
95.08601	22.4
97.02883	6.2
97.06532	16.5
99.08096	3.1
104.30917	2.9
105.07031	32.3
107.04966	10.3
107.08598	32.3
108.46291	2.8
108.62918	3.5
109.02887	5.1
109.06486	3.7
109.10166	19.5
117.06998	12.5
119.04946	3.8
119.08584	22.5
121.06487	6.3
121.10139	13.2
123.04395	3.7
123.11683	5.2
125.09596	4.3
127.03900	9.5
129.05466	3.4
129.07057	4.1
131.08577	16.8
133.06490	6.2
133.10141	20.7
135.08072	5.4
135.11708	21.1
139.03915	3.9
143.08542	5.7
145.10114	12.6
147.04420	11.7
147.11665	12.3
148.04742	3.7
149.02365	4.8
149.09573	15.0
149.13263	12.7
155.08562	3.6
155.10783	3.4
157.10057	3.4
159.11676	22.5
161.05937	3.0
161.13245	7.2
163.03864	3.7
163.11203	11.5
163.75385	3.0
173.13190	7.8
175.11047	3.1
177.12675	22.2
179.14369	5.6
183.11824	3.7
193.05019	4.9
195.13899	5.4
215.17880	2.9
229.14250	6.7
239.02393	7.0
239.17868	6.0
251.16689	5.6
255.15854	24.6
257.03339	7.8
257.19000	9.5
269.14514	6.1
269.17471	100.0
271.06012	4.2
275.20062	30.6
276.99902	3.0
285.10449	3.4
309.20694	4.1
349.23715	83.6
367.24826	10.4
381.26340	9.6
413.21512	6.5
511.28424	4.5
578.37561	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.4107
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	8.5
55.01872	10.3
55.05511	83.9
56.05842	8.0
57.03433	18.3
57.07066	5.3
59.04996	5.8
59.78119	2.0
62.08500	1.7
65.03937	6.2
65.44779	1.8
67.05500	100.0
68.05831	8.5
69.03426	6.0
69.07066	31.0
70.64522	4.3
70.64891	3.3
71.04996	15.8
72.04514	20.7
73.04844	3.1
79.05487	76.1
80.05010	2.7
80.05837	4.4
81.03417	16.2
81.07054	98.3
82.07386	8.5
83.04979	11.7
83.08610	34.9
84.08959	4.5
85.06548	9.8
87.04460	5.1
91.05477	57.9
92.05804	4.4
93.07037	67.1
94.07386	7.0
95.04977	14.5
95.08600	66.1
96.04492	3.9
96.08940	6.8
97.05975	1.8
97.06493	9.5
97.10164	39.0
97.10764	2.6
98.10522	5.8
99.08099	2.3
103.05428	1.9
105.04546	1.8
105.07023	44.5
107.04969	2.8
107.08581	47.9
108.04466	2.5
108.08929	6.2
109.06514	6.4
109.10159	25.9
109.70206	1.8
110.10477	2.1
110.12777	2.1
111.08092	6.4
115.05470	1.9
117.07021	18.3
119.08570	39.7
121.06449	2.3
121.10143	35.7
122.10503	5.8
123.08061	2.8
123.11696	11.8
125.09634	28.0
125.33945	1.8
126.09995	5.5
128.06255	3.7
129.07024	9.8
131.08560	31.1
132.08891	1.9
133.06491	1.9
133.10127	22.3
135.08049	5.1
135.11676	19.6
136.12059	4.3
137.09616	4.0
137.13240	5.0
139.11235	2.4
142.07750	3.7
143.08542	12.7
143.10619	2.0
145.10112	25.3
146.55774	1.9
147.04379	6.1
147.11696	19.0
149.09615	4.1
149.13254	7.6
151.11201	2.4
155.08559	7.0
157.10120	9.9
159.11681	20.0
161.13271	11.4
163.11182	4.5
163.14871	3.2
169.10141	6.9
171.11705	8.4
173.13211	13.1
175.11166	3.8
175.14830	6.8
177.12631	3.1
178.12280	4.8
179.14296	1.9
181.10112	2.4
183.11684	7.1
185.13261	5.3
187.11208	2.6
187.14882	6.5
189.11261	7.7
189.16277	2.5
191.14374	1.8
193.12215	7.7
195.11755	2.5
197.13309	4.5
199.13246	3.8
199.14838	4.5
209.13274	3.4
211.14960	2.4
214.55099	1.8
223.14891	2.9
224.12845	1.9
227.12737	10.4
227.16357	2.5
237.16391	2.4
243.21161	3.0
244.21614	2.9
259.20557	2.8
261.22159	11.9
262.22433	3.9
267.15872	20.1
271.20670	2.8
279.23145	2.4
280.15439	5.9
281.15750	4.0
287.20505	1.9
287.23758	3.8
289.21689	5.5
298.16519	31.9
298.52460	2.1
299.16797	32.5
299.19873	3.2
301.22235	2.1
301.25330	8.3
303.23145	4.1
309.22482	2.2
315.23071	2.6
325.24948	1.9
333.24213	2.3
335.21988	3.8
335.25797	41.1
336.26105	44.3
337.25937	1.8
341.24750	2.5
351.39639	2.1
359.25720	2.3
361.27280	4.4
363.25385	8.1
417.31387	5.6
434.35089	2.6
435.27258	2.7
435.32489	14.4
453.33533	15.5
471.34625	7.2
475.30533	2.1
508.05798	1.8
509.36212	5.9
527.37335	64.3
528.36621	2.2
541.37488	2.4
545.38354	56.1
559.38831	24.0
569.38794	1.9
577.40967	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	578.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62428	1.1
53.03940	4.0
53.98826	1.2
55.01876	12.1
57.03437	5.8
61.02917	4.6
67.51498	1.2
68.99792	3.4
69.03428	19.3
71.04025	1.9
71.04374	2.2
71.04974	3.5
73.02921	7.7
74.11308	1.1
81.03416	13.2
83.01337	1.2
85.02902	100.0
85.07660	1.3
87.00822	15.8
91.03925	2.2
93.24353	1.2
97.02889	22.4
99.04460	14.0
105.01865	17.2
107.04966	1.4
109.02882	20.6
115.03945	1.2
123.04429	3.9
126.10260	2.5
127.03910	58.7
129.01826	6.2
145.04958	45.2
147.02870	4.3
159.02896	15.2
167.06998	2.0
173.05968	2.9
175.07573	1.5
183.78651	1.4
189.03973	2.1
189.27837	1.2
193.08678	1.4
204.59453	1.2
213.03947	3.3
217.08615	5.9
231.04997	24.5
241.08595	3.4
249.06061	13.9
259.09702	4.7
441.03528	1.4
453.33966	3.4
520.11426	1.4
563.36670	1.3
579.21442	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.3581
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.6
55.01873	2.0
55.05513	23.7
57.03424	2.9
57.07065	10.3
60.33113	1.5
61.02921	2.9
65.03932	2.9
67.05505	28.2
68.99790	2.2
69.03428	23.2
69.07063	48.7
70.79004	5.7
71.04980	6.3
71.08633	6.4
73.02918	4.0
79.05486	12.2
81.03425	17.9
81.07056	100.0
83.08614	29.1
85.02902	45.2
85.06542	15.7
87.00826	17.1
91.05475	5.6
93.07047	16.3
95.04969	4.9
95.08605	95.7
97.02886	14.7
97.06509	2.5
97.10171	19.3
99.04449	6.4
99.08085	13.1
105.01865	19.1
105.07049	9.1
107.04937	2.7
107.08582	18.6
109.02876	14.4
109.10152	54.6
111.04433	4.8
111.08080	3.4
111.11718	17.5
113.09654	2.9
115.03912	2.2
119.08565	4.6
121.06531	3.4
121.10147	8.6
123.04449	2.4
123.08073	2.1
123.11713	31.1
125.09670	2.4
125.13266	6.9
127.03918	31.5
127.11219	2.6
131.04927	3.1
131.08549	1.8
133.06505	3.0
133.10107	4.2
135.04396	2.3
135.11679	10.0
137.05978	3.8
137.13255	13.1
139.14853	3.0
143.14372	3.2
145.04968	7.6
145.06482	2.0
145.10120	2.1
147.04419	6.0
147.08006	2.0
147.11699	3.5
148.04753	2.8
149.05974	3.1
149.13271	15.2
151.07567	2.2
151.14815	15.8
159.02914	4.6
159.08069	3.3
161.05998	4.5
161.13264	2.8
163.03928	9.8
163.07515	2.2
163.14821	8.0
164.04202	3.1
165.09088	2.6
165.16385	9.5
167.07066	12.3
171.11731	2.4
175.07465	2.0
177.05386	3.4
177.16368	5.8
179.17970	4.8
181.05040	1.9
191.07016	3.9
191.17903	3.1
193.19566	1.9
199.20670	2.3
205.19511	2.6
217.12253	2.4
219.10205	3.7
221.07994	2.2
231.05101	8.7
249.06058	3.9
251.09279	2.3
275.27322	7.9
281.28247	8.5
293.08072	2.5
293.28421	20.2
311.29431	19.7
313.10080	2.1
329.30576	3.3
383.29160	4.6
401.30487	4.9
419.31519	4.0
487.30777	3.4
505.31323	3.5
523.32300	3.4
577.20471	15.2
577.33002	1.8
578.20972	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	577.3579
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	6.0
55.01853	3.1
55.05505	22.8
57.03433	4.8
57.07073	16.9
61.02917	3.0
63.30318	3.1
67.05501	35.9
68.59853	3.0
69.03430	22.5
69.07065	49.3
70.82072	6.1
71.04990	4.2
71.08636	6.4
76.64767	3.1
79.05494	15.4
81.03410	16.2
81.06580	5.0
81.07053	100.0
81.61719	2.9
83.08608	32.6
85.02906	38.8
85.06544	69.1
85.10133	3.1
87.00828	10.6
91.05441	7.7
93.07059	19.6
95.04948	5.8
95.08608	81.7
97.02884	13.4
97.06513	4.7
97.10168	23.5
97.10741	3.4
97.11019	2.9
99.04459	5.6
99.08083	13.0
105.01855	16.7
105.07012	11.8
107.04920	5.6
107.08593	23.5
109.02881	16.8
109.10150	54.5
111.08099	4.5
111.11724	17.3
119.08558	6.9
121.06525	4.1
121.10135	9.3
123.07973	3.5
123.11693	28.7
125.09644	3.3
125.13245	7.6
127.03903	29.8
131.08571	4.8
133.10126	5.3
135.04391	6.9
135.11682	9.0
137.05963	6.2
137.13220	12.2
145.02840	4.0
145.04947	6.1
147.04396	12.0
148.04752	3.5
149.13226	9.6
151.14784	9.6
159.11681	5.1
163.03914	39.7
163.14786	8.0
165.09093	3.4
165.16391	7.2
167.07031	6.9
177.16331	3.4
179.17937	5.9
183.17368	4.0
199.20665	3.5
207.20905	2.9
231.04872	5.5
252.24382	2.9
275.27344	9.2
278.72400	3.1
281.28339	33.2
293.28406	33.2
311.29437	18.0
401.30609	7.2
407.06885	3.6
432.31711	3.5
447.53851	3.0
577.20477	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	576.3893
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	7.5
53.55648	2.4
55.01892	3.2
55.05508	23.7
56.05025	5.3
57.03444	14.5
57.07066	5.9
65.03934	4.8
67.05502	75.7
69.07069	21.2
69.44615	12.4
69.45042	14.5
70.06595	3.5
72.08148	4.3
79.05496	56.0
80.05020	18.3
81.06575	5.4
81.07053	92.4
82.06577	8.1
83.04986	2.8
83.08614	9.9
91.05475	89.2
93.05772	4.1
93.07036	60.4
94.06575	59.1
95.04991	13.6
95.07362	13.9
95.08604	55.3
95.09174	5.2
96.04526	3.0
96.08137	6.1
97.10159	2.9
103.44176	2.7
105.07032	58.2
106.06551	6.7
107.07353	6.8
107.08581	27.8
108.04461	3.8
108.08130	21.0
109.06502	3.9
109.10152	29.7
117.07044	9.6
119.08585	16.9
120.08180	4.7
121.08899	4.7
121.10130	15.4
122.09673	23.3
123.08060	3.5
123.11725	12.0
131.08591	14.5
132.08102	3.8
133.10132	24.0
135.10599	3.2
135.11671	14.7
137.13210	2.9
143.08556	4.4
145.10130	7.3
147.04379	3.8
147.11720	9.0
149.13252	5.9
150.12770	45.8
156.08119	3.3
157.10196	3.6
158.09695	4.9
159.11731	7.3
161.13329	4.8
170.09708	3.9
172.11292	3.8
173.13249	5.2
184.11255	3.3
196.13321	21.5
198.12770	4.5
212.14439	4.1
252.16057	10.9
261.22131	11.7
272.59161	3.2
280.15497	7.1
289.21585	4.4
298.16476	50.7
317.24542	3.6
335.25800	77.4
448.32501	4.5
484.34479	4.3
502.34946	3.1
522.35352	3.3
540.36792	37.5
541.37830	14.3
550.92438	2.8
558.37854	90.9
576.38940	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3895
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	6.8
55.01863	4.6
55.05263	2.2
55.05509	27.9
56.05036	12.2
57.03433	17.9
57.07056	4.8
58.06588	3.7
65.03926	6.0
67.05502	96.0
68.05029	2.3
69.06770	1.7
69.07063	18.8
70.06579	4.1
71.04973	4.4
71.08604	2.3
71.61117	2.6
72.08145	4.0
77.03904	1.9
79.05487	59.6
79.06837	1.6
80.05017	19.1
80.06047	1.7
81.05789	4.4
81.07053	97.7
82.06589	10.2
83.04969	2.9
83.08610	10.2
84.08134	2.9
85.06528	1.7
86.42161	1.3
91.05479	96.8
93.05789	9.2
93.07039	60.5
93.07626	3.3
94.06567	60.7
95.04977	14.3
95.07343	12.4
95.08605	59.3
96.04478	2.9
96.08131	5.4
97.06550	3.7
97.10153	2.0
103.05476	1.9
105.07027	66.1
106.06571	8.0
106.61661	1.5
107.07370	7.4
107.08585	32.9
108.04468	3.3
108.08112	25.6
109.06503	3.3
109.08922	2.7
109.10145	27.2
110.06062	2.6
111.08090	2.0
115.05465	1.8
117.07050	9.5
118.06552	2.9
119.08593	16.6
120.08115	8.2
121.08835	7.4
121.10130	22.6
122.09664	22.7
123.08086	2.9
123.11685	11.4
128.06166	1.8
129.07013	2.7
130.06496	2.1
131.08546	20.0
132.08109	4.4
133.10130	27.4
134.05991	1.8
134.09665	4.2
135.10617	2.2
135.11671	13.9
137.13287	2.9
143.08569	4.3
145.08974	3.0
145.10126	11.8
146.09612	2.9
147.11684	9.2
148.11214	3.1
149.09599	1.7
149.13237	8.7
150.12785	52.0
157.08850	2.1
157.10112	2.7
158.09651	3.5
159.10516	2.0
159.11626	7.4
160.11237	3.7
161.13283	4.8
162.12764	2.6
163.11163	1.9
163.14761	2.7
164.10713	2.0
169.10156	1.8
170.09654	4.9
171.10452	1.6
172.11165	2.9
173.13235	7.5
175.14833	2.0
178.12257	4.5
184.11241	4.3
186.12814	3.8
187.14839	2.7
191.14177	1.9
196.11456	2.6
196.13284	21.5
198.12778	2.6
206.11760	3.7
208.13301	3.4
212.14342	3.7
243.21054	6.0
252.15880	12.2
261.22067	14.5
264.15866	1.9
271.20700	1.6
280.15302	8.0
289.21631	5.0
298.16473	70.8
317.24820	4.0
335.25787	94.3
350.60471	1.6
363.25153	4.4
399.61523	1.4
430.30878	2.6
448.32196	3.9
466.33136	3.2
498.32013	3.1
502.35513	2.2
519.97003	1.4
522.35968	3.5
540.29108	3.0
540.36804	35.6
541.37433	11.3
558.37903	91.4
576.38898	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3895
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.5
55.01873	5.9
55.05510	28.6
56.05036	2.2
57.03436	12.4
57.07063	1.8
58.06591	1.3
59.05000	0.9
64.31221	0.4
65.03941	3.8
67.04243	1.4
67.05502	50.5
68.01392	0.7
68.05031	2.0
69.03434	1.2
69.07066	12.0
70.02943	4.4
70.06595	0.5
70.66552	1.0
70.66949	1.2
71.04992	2.1
71.08624	0.5
72.04514	100.0
73.02908	0.5
73.38306	0.4
79.05491	45.4
80.05016	11.3
81.03439	1.5
81.07053	48.4
82.02942	4.3
82.06578	10.0
83.04975	2.6
83.07334	0.4
83.08617	10.1
84.04501	2.4
85.06538	2.3
89.20391	0.4
91.05477	23.3
92.04997	0.6
93.05809	1.1
93.07041	37.1
94.06572	3.4
94.82956	0.5
95.04968	5.7
95.08604	30.1
96.00835	0.5
96.04492	14.8
96.08085	1.0
97.06532	2.1
97.10168	8.0
98.06056	1.8
99.08087	0.8
103.05482	0.9
105.04567	0.5
105.07033	12.6
106.06562	1.2
107.04972	1.4
107.08594	23.3
108.04476	13.9
108.08119	1.0
109.02877	0.5
109.05279	3.2
109.06508	3.0
109.10154	11.3
109.71710	0.4
110.02377	0.5
110.06040	9.0
111.08072	1.3
111.73375	0.4
115.05456	1.2
117.05783	0.6
117.07013	7.1
118.06559	1.8
119.07330	0.6
119.08580	9.7
120.04496	0.6
120.08103	1.1
121.10144	13.2
122.06036	3.2
122.09704	1.3
123.08064	0.9
123.11683	3.2
124.03979	0.7
124.11226	7.4
125.09652	5.4
126.05503	1.4
128.06200	0.7
129.07007	1.8
130.06577	0.5
130.53738	0.5
131.07516	0.7
131.08559	7.1
132.08095	1.6
133.10132	7.9
134.06026	0.6
134.09663	1.5
135.08043	3.2
135.11693	7.7
136.07558	1.3
136.11235	0.7
137.09604	0.9
137.13271	0.9
138.09134	0.5
143.08536	1.5
143.10736	0.6
145.06548	0.7
145.09010	0.6
145.10123	4.9
146.09654	0.5
147.11668	3.7
148.11264	0.6
149.09633	0.8
149.13231	3.9
150.09193	0.9
150.12773	0.9
151.11198	0.6
153.09077	0.6
159.11694	4.9
160.11197	2.9
161.09656	0.5
161.13283	2.8
162.09146	0.8
162.12779	0.7
162.45195	0.4
163.14856	2.1
164.10797	0.5
170.09610	0.9
170.11768	2.8
171.11708	0.7
173.13258	3.4
175.14839	1.3
177.12831	0.6
177.16417	0.8
178.12267	11.9
180.13812	0.5
185.13347	0.6
187.14865	1.2
188.10722	3.2
189.11212	0.6
192.17058	0.5
196.13278	0.7
199.13324	1.3
201.16345	0.8
206.11736	4.3
208.13396	1.3
224.12801	13.0
226.14406	1.3
227.12830	0.6
233.22679	0.6
242.13939	1.8
243.21114	3.1
259.20779	0.5
261.22131	8.6
265.74567	0.5
277.21640	0.4
280.15442	11.5
287.23608	0.5
297.22098	1.0
298.16483	76.8
314.24695	0.6
315.23212	2.0
317.24744	1.6
324.23456	0.5
335.25784	66.5
336.26016	1.0
389.26978	0.7
485.50189	0.5
530.39056	0.6
540.36896	1.8
558.37891	29.1
559.38434	1.1
576.38959	16.6
577.39154	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3894
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08852	0.5
53.03946	3.0
55.01875	5.0
55.05509	22.5
56.05032	2.6
57.03434	11.9
57.07073	1.9
58.06614	0.8
61.04955	0.5
62.17664	0.5
64.58216	0.5
65.03944	3.5
67.04234	1.0
67.05502	52.5
68.01390	1.5
68.05027	1.4
69.03430	1.2
69.06712	1.0
69.07066	12.4
70.01957	3.1
70.02944	5.1
70.06592	1.1
71.04985	2.3
71.08640	0.6
72.04513	100.0
72.59778	0.6
72.67541	0.5
72.75819	0.5
77.03912	0.7
79.05489	50.1
80.05014	10.8
81.03414	0.9
81.07053	49.0
82.02939	3.6
82.06579	10.3
83.04972	2.1
83.07352	0.8
83.08617	8.5
84.04510	2.8
85.06553	1.7
91.05476	25.0
93.07039	37.9
94.06540	3.2
95.04955	4.8
95.08606	32.1
96.04488	11.6
96.08134	0.8
97.06527	1.3
97.10162	5.4
98.06052	1.4
98.20732	0.6
99.08116	0.9
103.05501	1.1
105.04535	0.8
105.07031	14.6
106.06550	1.3
107.04961	1.0
107.08591	22.1
108.04475	15.1
108.08161	0.9
109.05260	1.8
109.06515	2.2
109.08967	0.7
109.10146	13.4
110.06030	6.4
111.08087	1.6
115.05438	1.5
117.05768	0.8
117.07012	9.9
118.06554	1.1
119.08575	10.0
120.04452	0.5
120.08089	0.9
121.10141	16.0
122.06045	4.1
122.09652	1.2
123.06781	0.7
123.08072	1.0
123.11726	3.2
124.03896	0.8
124.11228	7.3
125.09631	2.4
126.05515	1.4
128.06204	0.9
129.06992	0.9
130.07854	0.6
131.08563	9.5
132.08121	1.1
133.10120	6.5
134.06073	1.1
134.09648	1.7
135.08084	3.2
135.11668	9.4
136.07549	1.2
137.09627	1.9
137.13255	1.6
139.11172	0.5
143.08585	1.7
144.08037	1.2
145.10123	4.7
147.11667	4.8
149.13237	4.1
150.09145	0.6
150.12744	1.0
157.10077	1.0
159.11687	3.7
160.11217	2.3
161.09644	0.6
161.13242	2.9
162.12840	0.5
163.14787	2.6
165.12738	0.6
170.11777	2.4
171.10191	0.8
173.13214	3.9
175.14899	1.3
177.12543	0.6
177.16479	0.7
178.12253	13.0
178.13693	1.0
185.13419	0.9
187.14827	1.8
188.10698	2.6
189.11174	0.8
196.13376	0.8
197.43631	0.6
201.16418	0.6
206.11752	5.5
208.13350	1.9
224.12802	13.6
226.14366	1.3
227.12830	0.8
233.22701	0.8
242.13911	1.4
243.21013	3.3
261.22131	12.6
280.15411	12.3
282.16956	0.7
297.22134	0.6
298.16476	65.9
315.23227	2.1
317.24646	2.4
335.25784	79.7
336.26233	1.3
487.34021	0.7
540.36877	2.7
541.36847	0.7
558.37897	36.4
559.37585	0.8
576.30682	0.9
576.38989	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	576.3896
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	4.8
53.74908	1.1
55.01873	2.1
55.05510	18.6
56.05023	3.7
57.03440	14.1
57.07065	3.2
58.06600	2.3
65.03929	5.1
67.05502	65.6
68.05023	2.6
69.07069	12.7
70.06586	2.4
71.04961	1.7
71.44942	2.0
72.04086	0.9
72.04514	1.2
72.08144	1.7
79.05489	46.2
80.05017	10.3
81.05786	2.3
81.07052	64.0
82.06573	4.0
83.04977	1.1
83.08609	5.9
84.08100	1.7
91.05476	57.2
93.05814	5.9
93.07038	37.3
94.06563	32.6
95.04952	7.9
95.07361	6.5
95.08604	43.0
95.09239	1.5
96.04523	1.9
96.08121	3.4
97.06510	2.1
97.10149	3.3
103.05476	1.4
105.04478	1.6
105.07019	39.0
106.06555	4.4
107.04939	1.9
107.07404	5.1
107.08577	22.1
108.04519	1.2
108.08106	14.8
109.06514	2.4
109.08917	1.6
109.10148	20.1
111.08088	1.7
117.07011	8.1
118.06553	1.6
119.08586	10.3
120.08105	4.7
121.08852	3.0
121.10137	15.9
122.06017	1.4
122.09673	12.5
122.13422	1.0
123.11704	7.7
129.06981	1.7
130.06509	2.4
131.08563	11.6
132.08107	2.9
133.10115	17.5
134.09621	2.4
135.10606	2.2
135.11656	10.3
137.09641	1.2
137.13280	1.3
143.08609	1.6
145.10091	8.0
146.09654	1.7
147.11722	5.3
148.11214	2.3
148.61642	1.1
149.09650	1.7
149.13266	3.8
150.12770	28.1
157.08890	1.7
157.10075	1.5
158.09593	1.4
159.11668	5.3
160.11226	1.2
161.09656	1.5
161.11647	1.0
161.13261	4.1
163.11177	1.2
163.14819	2.1
169.10150	1.7
170.09698	3.0
172.11198	2.1
173.13278	4.3
175.63713	1.3
178.12338	2.3
182.09653	1.4
184.11232	1.3
187.14853	2.1
190.12253	1.1
196.13316	13.1
198.12737	2.0
206.11798	2.5
243.21179	2.7
248.99599	1.2
252.15758	5.3
259.20557	1.3
260.51697	1.0
261.22147	10.0
269.04349	1.0
271.20490	1.8
279.23373	1.3
280.15448	5.8
289.21713	2.1
296.86780	1.0
298.16467	37.4
317.24783	1.2
335.25781	100.0
363.25186	1.8
396.21201	1.0
448.32410	2.4
498.31967	1.3
512.33643	1.4
520.36206	1.1
522.35669	2.6
540.36890	18.0
541.37720	6.4
558.37860	51.0
576.38995	48.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3892
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.6
55.01867	5.1
55.05265	1.4
55.05508	21.5
56.05028	2.7
57.03433	10.4
57.07060	2.4
61.16530	0.8
65.03926	3.2
66.22086	1.0
67.04236	1.1
67.05499	45.7
68.05011	2.5
69.03424	1.4
69.07056	7.7
70.02958	4.9
70.06560	1.1
70.88113	1.8
70.88445	1.3
71.04977	1.7
72.04512	100.0
79.05486	41.7
79.05861	0.5
79.05962	1.2
80.05008	10.4
81.03383	1.1
81.07050	44.2
82.02922	3.3
82.06578	11.4
83.04971	2.2
83.08604	7.2
84.04491	2.1
85.06525	1.8
89.05999	2.0
91.05466	21.7
93.06467	1.8
93.07037	30.5
94.06557	2.6
95.04965	4.6
95.08601	29.7
96.04484	12.4
96.08139	1.4
96.46687	0.8
97.06541	2.1
97.10159	3.9
97.92796	0.9
98.06051	1.5
104.10733	1.2
105.07020	13.1
106.06536	1.3
107.07337	1.0
107.08596	20.6
108.04474	14.7
109.05247	2.3
109.06509	2.8
109.10133	10.5
110.06042	8.2
115.05428	1.2
117.06991	7.5
119.07308	1.2
119.08575	9.3
120.08041	1.4
121.10129	10.5
122.06012	2.2
122.09703	1.3
123.08053	1.3
123.11687	3.6
124.11223	7.1
125.09624	1.7
129.06990	0.9
129.94447	0.8
131.08530	6.8
132.08073	2.3
133.08615	1.4
133.10147	6.9
134.06026	1.3
135.08037	4.1
135.11690	9.2
135.97000	0.9
136.07564	2.0
137.09602	1.8
137.13217	2.1
143.08580	1.2
145.10060	4.3
147.11664	3.6
149.13281	5.3
150.09210	1.3
157.10004	1.1
159.11638	3.8
160.11169	2.3
161.13257	3.2
163.11163	1.3
163.14822	1.5
170.11748	3.7
171.11635	1.1
173.13274	2.8
175.14828	1.1
178.12279	14.0
185.53822	1.0
187.14735	1.2
188.10724	4.2
206.11726	5.0
224.12817	13.2
226.14432	1.3
242.13820	2.1
243.21059	3.2
261.22095	9.7
280.15469	10.2
282.16931	1.1
296.15030	1.0
298.16473	75.9
315.23145	1.9
335.25766	66.0
466.33261	1.3
530.37830	1.2
531.31909	1.0
540.36835	2.9
558.37830	27.6
576.38879	16.4
592.84198	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3892
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40918	1.3
53.03936	4.8
53.83930	1.0
55.01868	7.2
55.05507	21.9
55.94983	1.2
56.05028	2.3
57.03434	13.7
65.03931	4.1
67.05501	59.0
67.11198	1.1
68.05019	1.2
69.07061	13.8
70.02937	4.4
70.86104	3.6
71.04983	1.8
72.04511	100.0
75.92767	1.1
79.05487	48.3
80.05010	11.1
81.07052	55.2
82.02923	1.9
82.06574	9.9
83.04971	2.6
83.08620	8.2
84.04511	2.0
85.02916	1.3
85.06511	2.8
91.05476	26.4
93.07039	39.8
94.06596	2.8
95.04933	6.0
95.08604	31.6
96.04476	10.2
96.08098	1.4
97.06560	1.8
97.10154	5.7
98.06036	1.2
105.07016	17.6
106.06516	1.8
107.04973	1.4
107.08590	25.3
108.04466	13.7
109.05248	1.7
109.06505	3.3
109.10153	12.0
110.06037	7.7
111.08083	1.8
115.05412	1.4
117.07027	8.5
119.08561	9.8
121.10128	15.4
122.06012	5.4
122.09658	2.2
123.11666	3.3
124.11220	8.4
125.09632	1.3
126.05497	2.3
129.07007	1.4
131.08568	8.4
132.08047	1.8
133.10109	7.5
134.09642	1.4
135.08092	5.7
135.11682	8.9
137.09706	1.4
137.13240	1.6
145.10107	5.9
147.11696	5.1
149.13206	6.3
150.12798	1.2
155.29866	1.3
159.11685	4.5
160.11153	3.0
161.13315	3.0
163.14859	2.3
170.11772	3.8
173.13261	4.3
175.14928	1.6
178.12256	12.6
187.14711	2.1
188.10770	2.6
206.11707	4.4
208.13168	1.3
224.12833	12.9
242.13847	1.7
243.21088	4.7
261.22092	11.8
280.15466	12.5
297.22076	1.2
298.16470	61.0
313.25201	1.2
315.23306	1.8
317.24622	1.8
335.25793	66.9
337.27237	3.3
423.18417	1.3
540.36951	2.4
558.37830	34.3
576.38678	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	575.2122
Annotation	Lanceocrepidiaside F
Peak:m/z	Relative Intensity
53.03946	0.4
53.10337	0.3
54.98066	0.3
57.03408	0.5
57.71600	0.3
69.03415	1.0
70.10138	1.4
71.04977	0.7
75.29483	0.3
79.05488	0.4
81.03417	0.7
85.02892	1.1
85.68309	0.3
89.03905	3.6
91.05476	0.5
93.06995	0.3
97.02884	1.2
97.65910	0.3
98.20786	0.3
107.04961	1.6
117.03365	5.7
117.07024	0.4
127.03903	0.6
134.38675	0.3
135.03384	0.7
135.04416	14.1
137.05969	2.1
145.02844	10.5
145.03996	0.5
147.04337	0.4
161.05992	0.6
163.03900	100.0
164.04240	1.2
175.07646	0.3
181.04959	1.5
186.03664	0.3
207.10118	0.3
215.10649	0.9
233.11765	0.9
307.08057	0.5
325.09152	7.0
352.40353	0.3
464.18726	0.3
598.67316	0.3
601.16711	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.2105
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	0.3
56.96562	0.3
69.03426	0.3
69.46597	0.2
69.62898	0.9
69.63325	0.9
79.05497	0.4
80.55453	0.2
81.03417	0.3
81.07061	1.4
83.01079	0.7
85.02901	0.9
89.03894	0.4
91.05471	0.6
93.07059	0.5
95.01089	0.9
95.04958	0.3
95.08614	0.4
96.01887	0.3
96.48933	0.2
97.02869	0.3
97.06519	0.6
98.97578	0.7
103.05468	0.3
104.00690	0.2
105.07042	0.8
107.04942	0.3
107.08610	0.3
109.02854	0.5
109.10131	0.3
113.02148	1.4
116.98643	0.3
117.03410	0.7
118.04154	0.7
121.10138	0.3
124.05197	0.3
127.03934	0.5
133.06494	0.9
133.10100	0.3
135.04414	1.5
135.80473	0.2
137.05992	1.2
141.05167	0.3
143.03323	0.4
145.02884	1.1
147.04413	1.1
150.06810	0.4
151.07556	0.4
157.04755	0.4
161.09602	0.3
163.03902	9.5
165.09073	0.6
167.03143	0.4
176.04494	0.9
176.06816	0.2
177.00797	0.3
185.04237	2.6
191.07129	0.3
193.08629	1.6
201.03639	2.0
201.05302	1.5
202.05980	0.9
203.05260	4.6
203.07072	0.3
216.07556	12.5
217.08388	2.2
219.01752	0.3
233.11781	0.6
259.09613	0.4
279.26782	0.3
325.09137	0.5
359.14981	0.3
365.13538	5.0
373.50830	0.3
381.11975	0.6
395.14575	0.7
413.15698	0.5
489.19003	0.7
575.20966	100.0
576.21509	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	576.3888
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02388	2.8
51.26104	2.3
53.03942	4.5
53.31821	2.3
55.05509	19.0
56.05029	4.2
57.03427	13.5
57.07051	3.4
59.10683	2.2
67.05500	75.7
68.05004	4.0
68.88188	2.4
69.07063	16.5
69.56058	2.3
70.06573	4.2
71.04960	2.8
71.60308	3.9
72.08144	3.2
79.05489	46.7
80.05013	14.0
81.06576	4.6
81.07053	80.3
83.04982	3.2
83.08606	9.3
90.08929	2.4
90.39140	2.5
91.05473	62.9
93.05801	3.5
93.07042	41.3
94.06561	35.5
95.04955	7.3
95.07333	6.9
95.08607	41.2
96.04481	3.1
96.08128	2.8
97.06516	4.4
97.10172	4.5
105.07020	49.4
106.06519	3.1
107.07354	5.0
107.08595	29.5
108.08140	16.9
109.06473	3.4
109.10150	21.6
112.71523	2.4
117.07008	4.9
119.04889	3.0
119.08587	12.5
120.08113	5.2
121.08858	4.8
121.10159	15.3
122.09697	14.3
123.11660	6.6
131.08563	13.1
132.08064	3.2
133.10139	18.1
135.11719	13.9
137.13261	4.5
145.10139	8.1
147.04388	6.8
147.11687	7.7
149.13248	5.1
150.12787	30.4
151.11108	2.9
159.11659	6.5
160.11127	3.3
173.13252	6.2
178.12173	2.6
187.14885	3.0
196.13290	14.8
243.21045	3.1
252.15933	8.9
261.22061	15.9
280.15399	7.5
293.09012	2.8
298.16464	39.6
313.27469	3.3
335.25797	100.0
363.25226	3.4
440.21207	4.9
448.31482	3.2
462.24847	3.0
540.36761	25.5
541.37378	7.2
558.29407	4.7
558.37878	65.7
576.39954	50.0
604.80444	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	575.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	0.3
57.03433	0.4
63.02377	0.3
67.05489	0.3
69.03434	1.0
71.04983	0.4
71.59171	0.3
73.45341	0.2
74.17560	0.2
79.05480	0.7
81.03400	0.8
81.07047	0.4
85.02914	0.9
89.03917	4.1
91.05474	0.6
93.07037	0.2
95.08566	0.3
97.02887	1.9
97.06571	0.2
99.04450	0.3
105.07004	0.2
107.04950	1.7
109.02879	0.4
117.03381	5.2
119.04919	0.3
119.08548	0.2
127.03894	0.3
135.04413	14.3
136.04770	0.2
137.05963	1.5
145.02844	10.9
147.04401	0.4
161.05942	0.3
163.03900	100.0
164.04242	1.6
167.07033	0.3
181.04987	1.4
186.05487	0.4
189.09169	0.3
203.07004	0.2
207.10197	0.2
215.10619	0.5
233.11751	0.7
307.08035	0.7
325.09177	6.8
326.09671	0.2
453.17728	0.2
540.81421	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.2863
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.2
53.08868	1.3
55.01871	22.0
55.05259	2.1
55.05510	26.6
56.05037	2.6
56.96566	7.6
57.03432	27.4
57.07071	3.3
65.03947	2.0
67.04231	1.5
67.05501	32.8
68.05014	1.9
69.03442	7.2
69.07065	6.0
70.02962	3.3
70.04238	4.8
70.04654	3.5
70.06573	2.5
71.04987	2.8
72.04517	100.0
73.02915	7.5
79.05495	30.8
80.05017	18.7
81.03415	13.1
81.07055	28.1
82.02948	4.7
82.04173	1.5
82.06576	15.4
83.04974	16.3
83.08608	7.7
84.04510	3.2
85.02914	2.0
85.06551	2.6
91.05479	27.2
93.05759	1.5
93.07045	18.0
94.06560	8.7
94.07790	2.3
95.04974	13.6
95.08604	10.5
96.04491	19.3
96.05679	1.4
96.08113	2.9
97.02878	1.4
97.06521	7.3
97.10165	6.5
98.06078	3.3
98.20597	1.4
101.06005	2.9
103.05505	2.0
105.07031	12.6
105.39553	1.3
105.79691	1.5
106.06568	4.1
107.04961	4.8
107.08596	13.2
108.04482	17.9
108.08110	1.9
109.05279	3.9
109.06523	4.3
109.10165	4.8
110.02420	2.4
110.06057	16.6
111.08086	4.3
115.05480	2.4
116.04703	19.2
117.05523	2.8
117.06991	7.4
118.06578	1.9
119.04957	5.4
119.08595	7.8
120.08105	2.3
120.09375	1.4
121.06547	2.1
121.08875	1.3
121.10130	5.7
122.06034	8.1
122.09673	2.7
123.08062	6.8
124.07605	3.6
124.11255	6.5
125.09647	6.0
126.05528	1.8
129.03381	1.5
129.04494	2.4
129.05472	50.6
129.06947	2.9
131.08577	5.1
132.08101	2.6
133.09097	1.3
133.10129	6.5
134.09705	3.3
135.08058	5.7
135.11720	4.5
136.07576	3.8
136.11197	3.1
137.09630	3.9
138.09138	2.4
143.07050	16.1
145.10170	3.6
146.09651	1.8
147.04414	13.7
147.11694	3.4
148.11209	2.7
149.09583	3.2
150.09146	2.5
150.12773	2.9
157.08618	32.0
157.10007	2.9
160.11246	4.4
162.09111	1.6
162.12785	3.0
163.11217	2.9
164.10716	3.2
164.11967	1.9
166.12282	6.1
170.11815	2.9
171.10141	7.6
175.11147	2.8
177.11563	1.6
178.12297	15.4
180.13969	1.8
185.11758	5.5
188.10745	5.6
189.11259	1.4
193.12198	4.0
194.11800	4.0
196.13264	2.0
199.13263	3.6
200.14073	21.6
201.14893	2.1
206.11763	11.8
207.12611	2.3
208.13313	11.6
210.12410	1.5
211.02759	1.8
211.13356	4.2
213.04340	4.1
220.13295	1.7
224.12842	15.9
226.14264	2.0
227.12741	3.4
239.02310	12.5
246.14853	1.4
253.73372	1.5
255.15979	4.3
257.03360	14.1
264.16016	1.6
267.15948	10.5
268.15475	4.8
280.05008	1.9
280.15366	10.9
282.16815	3.3
284.16119	3.7
294.17117	1.7
298.16501	80.9
330.15460	36.5
332.22321	1.9
352.17532	3.5
378.26355	5.3
388.24704	2.5
394.25906	4.1
406.25961	9.1
423.26126	2.6
436.27292	2.6
460.26804	4.0
462.28238	3.9
472.26782	2.1
478.27979	7.4
490.27884	7.3
493.85074	1.8
531.13416	4.8
549.14343	17.1
553.27338	8.7
565.90564	2.0
572.16071	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	570.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.7
54.17732	0.5
65.14113	0.5
67.05508	0.5
69.03409	0.6
70.06586	0.6
71.05753	1.5
79.05477	1.6
81.03429	1.0
81.33202	0.5
85.02885	2.0
91.05457	2.4
93.07037	1.0
95.04934	1.0
103.05427	0.9
105.07026	7.9
107.04933	2.1
115.05448	2.3
117.07018	3.0
119.04929	1.6
121.02837	1.4
121.06509	2.7
123.04453	0.6
123.08051	0.9
124.05206	0.6
127.03980	0.6
128.06149	1.0
129.06985	1.8
131.04910	1.3
131.08530	0.9
133.06497	8.1
135.08028	1.1
136.05273	0.5
137.05952	3.0
143.08528	0.9
145.06459	1.3
147.04433	0.7
149.05940	1.5
151.07544	5.5
153.05569	1.1
157.06462	1.2
159.08047	0.7
160.05122	0.9
161.05957	9.3
161.09599	0.6
162.06755	2.3
163.04051	0.6
163.07524	2.1
166.06320	0.9
167.07034	16.6
171.08066	1.1
174.06708	0.8
175.07567	4.1
176.07948	0.7
177.09102	100.0
178.06343	0.8
178.09456	0.8
179.07059	0.6
181.08609	7.0
187.07518	0.9
189.09077	5.4
191.07147	0.9
193.08603	46.0
194.09001	0.8
195.08105	0.6
195.10167	3.8
197.09595	1.1
203.10654	0.8
207.10117	1.3
221.11716	20.0
225.09087	1.2
251.10764	0.7
253.08607	1.0
255.06281	0.6
257.11792	1.2
283.09735	1.2
283.13138	0.9
285.11304	1.9
287.05347	0.6
288.05664	0.6
302.11743	0.6
309.11163	0.8
315.12128	1.3
317.13803	1.9
341.13815	1.5
343.15475	3.1
361.16449	21.9
373.16364	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	569.293
Annotation	Leukotriene F4
Peak:m/z	Relative Intensity
67.05496	0.8
69.42673	4.2
71.04958	0.4
79.05480	0.6
79.68546	0.4
81.07050	1.4
85.02934	0.8
91.05497	0.6
93.07072	0.6
95.08623	0.5
98.20773	1.0
105.06992	1.1
107.08616	0.5
109.10210	0.6
119.04924	0.6
121.06485	0.6
133.10107	0.7
137.06013	0.9
147.04390	0.4
161.05988	1.1
163.03925	0.6
167.07025	1.3
193.08511	0.6
203.05373	0.7
259.07770	0.8
287.15347	0.5
321.16638	0.6
407.24075	1.5
481.24039	1.1
483.22025	10.0
506.34708	0.5
569.29333	100.0
570.29932	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	569.2926
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96537	0.4
67.05494	0.9
69.35577	3.7
70.67647	0.3
71.04975	0.3
81.07048	0.9
85.29855	0.4
86.43557	0.4
105.07012	0.8
121.10081	0.4
121.18764	0.4
127.03923	0.5
133.10162	0.5
149.06085	0.4
164.44189	0.4
167.07008	1.0
168.53757	0.4
202.55151	0.4
203.05219	1.0
259.07941	1.2
331.10245	0.4
333.19452	0.5
403.89780	0.5
407.24115	1.4
457.20135	2.0
471.21964	2.1
569.29303	100.0
570.29370	1.9
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
50.79725	1.4
51.52095	1.2
53.03935	2.8
53.68271	1.5
55.04793	1.2
55.05508	12.0
57.07076	9.9
59.05001	2.0
65.03934	3.3
67.05503	16.3
69.03434	2.9
69.07067	12.1
71.05012	2.1
71.08627	2.1
71.59768	1.9
79.05492	23.2
80.06300	3.1
81.07054	37.0
83.04971	2.7
83.08618	6.0
85.06547	4.2
88.07622	3.2
91.05474	47.6
92.06261	3.1
93.07037	53.8
94.07825	2.2
95.04965	44.9
95.08041	2.7
95.08607	31.5
95.09180	1.3
97.06541	3.6
97.10143	1.5
103.05466	4.0
105.07024	82.1
106.07820	6.0
107.08590	48.4
107.09289	2.8
108.09357	1.6
109.06508	5.6
109.10152	22.2
110.43919	1.5
111.08069	2.8
115.05444	5.1
116.06218	2.1
117.07015	26.4
119.08573	100.0
120.09341	6.5
121.06544	2.2
121.10133	31.6
123.08058	16.1
123.11704	5.5
128.06194	9.7
129.07013	17.4
130.07791	10.3
131.08557	53.9
131.09515	3.0
132.09352	10.7
133.10127	62.6
133.37057	1.4
134.10886	4.3
135.08049	7.2
135.11699	19.7
137.09592	7.5
138.10382	8.3
141.07008	5.3
142.07758	18.6
143.08559	44.8
144.09334	15.9
144.13512	1.7
145.10115	91.7
145.96265	1.4
146.10840	5.0
147.08044	5.2
147.11674	24.7
149.09633	4.3
149.13249	3.8
151.11183	3.7
153.06982	1.7
154.07805	2.5
155.08534	15.8
156.09323	15.7
157.10118	54.8
158.10867	12.9
159.08075	2.4
159.11685	46.5
160.12419	3.1
161.09628	5.1
161.13173	7.2
163.11237	2.9
165.07028	5.4
166.07748	2.2
167.08586	7.6
168.09306	7.0
169.10106	28.5
170.10933	9.4
171.11676	37.7
172.12425	7.0
173.13251	26.3
175.11226	2.4
175.14809	20.3
177.12753	6.4
179.08549	8.8
180.09340	3.6
181.10095	14.9
182.10910	8.2
183.11694	29.1
184.12524	6.7
185.13231	23.9
186.14008	6.2
187.11317	1.5
187.14833	11.8
189.12668	1.8
191.14291	11.6
192.09386	2.2
192.15030	2.7
193.10066	10.7
194.10884	8.7
195.11658	19.2
196.12460	7.3
197.13237	28.0
198.14011	5.5
199.14795	9.6
200.15691	2.3
201.12762	4.0
201.16406	7.1
203.14281	2.1
205.15967	1.9
206.10921	6.0
207.11688	10.6
208.12498	4.8
209.13231	24.3
210.14012	4.2
211.14813	19.3
212.15479	1.9
213.16354	4.6
215.14342	2.8
217.15909	6.4
219.11681	3.0
219.17465	2.7
220.12424	1.6
221.13177	9.5
222.14021	2.1
223.14777	12.1
224.15553	3.5
225.16412	6.1
226.17168	1.7
227.14275	1.5
227.17792	1.6
229.15829	2.2
231.17552	2.1
233.13242	5.3
234.13914	2.7
235.14723	7.4
236.15613	1.9
237.16415	7.7
238.17094	1.9
239.17978	4.2
241.19571	3.3
245.13524	1.7
246.19937	1.6
247.14896	2.5
249.16393	5.8
251.18005	1.8
253.19450	2.2
257.19107	3.0
259.14923	2.5
259.20688	3.0
261.16379	4.5
263.18015	4.4
265.19580	3.1
267.21210	1.7
272.21234	2.4
275.17987	3.6
277.19495	2.1
277.80676	1.5
283.26315	2.1
284.29416	4.5
285.22250	3.1
295.20468	1.5
297.22287	1.9
309.21954	1.8
311.29419	5.1
320.24979	2.2
323.23666	3.7
337.25171	1.8
338.26010	44.3
349.25055	3.5
415.29852	2.8
420.30353	1.9
430.32330	14.4
432.07797	1.6
458.35074	2.3
476.36511	21.4
568.42755	39.9
568.56250	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	568.3632
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84795	0.5
50.93538	0.5
53.03952	0.6
55.05509	1.6
57.07078	3.4
58.04328	0.5
67.05509	6.4
69.07050	2.4
70.33785	2.2
79.05479	5.0
81.07056	37.3
91.05462	3.0
93.07028	3.8
95.08610	8.4
105.07027	9.7
107.08572	3.8
109.10155	4.2
117.03283	0.6
117.07057	0.6
119.08579	7.8
121.10135	2.9
123.11703	100.0
124.12077	0.7
131.08562	0.7
131.85210	0.6
133.10146	5.4
135.11676	1.1
145.10133	1.5
147.04372	0.6
147.11681	6.6
149.13239	0.9
151.11172	1.8
161.13260	9.1
163.03941	0.6
175.14810	1.2
187.07545	1.0
189.16386	4.4
195.08151	0.8
203.16029	1.0
203.17952	20.4
204.18732	12.3
267.14023	0.7
269.07770	0.7
284.29431	0.8
307.97180	0.6
323.20117	0.7
337.21603	3.6
347.20029	0.7
361.24625	0.6
365.21198	6.3
383.22278	1.2
568.36212	1.9
568.56830	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.3632
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19779	0.3
53.03940	0.5
54.09226	0.3
55.05494	1.4
57.07076	3.4
67.05499	4.8
68.69275	0.4
69.07078	2.0
71.60670	0.4
79.05482	3.5
81.07056	32.0
83.08609	0.4
91.05477	2.8
93.07043	3.7
94.07306	0.4
95.04947	0.8
95.08611	9.2
96.08962	0.3
103.05471	0.6
105.07029	10.1
107.08595	4.2
109.10154	4.8
119.08581	7.4
121.10152	3.8
123.04458	0.4
123.11705	100.0
124.11995	0.7
126.10986	0.4
131.08565	1.3
133.10129	6.7
135.11700	1.4
137.03421	0.3
143.08562	0.5
145.02869	0.3
145.10106	1.8
147.11685	6.6
148.12444	0.6
149.13266	0.7
151.11185	0.9
151.46837	0.3
156.09135	0.3
159.08098	0.4
159.11617	0.4
161.05939	0.4
161.13249	7.6
163.03931	1.3
173.06120	0.4
173.13297	0.5
175.07587	0.5
175.14857	1.6
177.09097	0.4
187.07545	1.3
189.05489	0.6
189.16391	2.5
195.08022	0.4
201.16368	0.4
203.17958	21.2
204.18742	8.8
212.12773	0.4
215.06918	0.5
224.15388	0.4
225.09067	0.5
241.12340	0.4
281.15372	0.5
284.29349	0.6
323.20111	0.6
337.21573	2.8
347.20197	0.4
365.21103	6.3
383.22159	0.4
471.09985	0.3
568.35596	2.6
568.56696	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.2403
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	2.1
57.60163	1.7
61.02919	3.7
69.03423	7.2
71.05006	2.2
71.60013	2.1
75.75030	1.7
79.05488	2.8
81.03413	9.7
85.02904	19.5
85.99069	1.9
89.81577	1.6
91.05468	5.4
95.04958	4.7
97.02888	4.8
103.05459	9.0
104.05814	3.0
105.07014	7.9
107.04939	5.2
115.05440	11.0
117.07004	12.0
119.04951	1.9
122.03630	3.5
123.04469	3.4
125.05997	2.9
127.03924	2.5
129.07002	5.5
130.14790	1.9
131.04935	17.2
131.08490	2.9
132.05345	4.0
133.06465	4.7
137.05978	86.5
138.06302	3.7
143.04922	5.4
144.05635	2.6
145.04961	5.7
145.06480	22.2
147.04414	4.6
151.03799	1.9
151.07542	1.9
153.05434	4.1
155.06035	2.4
156.05679	4.5
157.06516	6.7
159.08067	4.3
160.05234	12.0
160.36589	1.7
160.60870	1.7
161.05965	12.2
163.03951	2.2
163.07545	12.4
164.07922	3.8
167.07042	55.8
167.08421	3.5
168.07455	2.7
172.05203	4.1
173.05994	38.9
175.07545	100.0
177.09070	2.8
179.07016	2.4
180.08646	7.7
180.60709	1.6
183.06488	1.9
187.07539	33.9
187.11223	2.1
189.09138	8.3
190.06273	13.6
191.07047	4.9
193.08635	14.3
195.49522	1.8
199.07559	2.5
203.06999	4.9
205.08601	86.1
209.08044	2.3
217.08586	33.5
218.96318	1.6
219.08109	2.5
219.10001	2.4
233.09555	1.9
234.06760	2.4
235.07541	2.0
235.09639	51.4
241.08670	1.9
245.27121	1.9
247.09726	7.8
249.09126	4.1
250.76472	1.6
261.09149	3.9
263.06665	2.0
265.10736	34.4
266.09467	2.2
277.08768	2.5
278.09219	2.0
281.24011	2.0
285.07611	4.4
293.11679	2.7
300.09897	7.7
301.10684	3.7
306.08691	2.1
309.11267	2.0
310.11707	2.9
321.11111	8.1
339.12408	2.3
340.13000	3.3
341.13824	15.7
353.13986	14.4
355.15652	2.8
371.14886	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	568.202
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	0.4
53.03937	0.8
53.28705	0.2
57.03426	0.5
63.35133	0.2
69.03419	0.5
70.65140	0.6
73.02915	1.1
77.03892	0.4
81.03434	0.2
85.02895	0.9
91.05476	4.2
93.07040	7.1
95.04965	1.9
97.02878	0.4
100.79959	0.2
103.05468	4.9
105.04476	0.2
115.03961	0.2
119.04987	0.2
121.06498	100.0
122.06828	0.8
151.15945	0.2
229.08632	0.3
257.07944	0.2
274.10730	6.6
394.45563	0.2
415.97934	0.2
436.16016	48.3
437.16354	1.7
506.70071	0.2
558.06342	0.2
568.20081	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.5
55.01870	2.0
56.96556	2.6
57.03425	4.7
61.02907	2.1
69.03431	10.9
70.77394	1.3
71.04997	19.7
71.59000	3.0
73.02916	2.3
79.05499	6.7
81.03407	9.2
83.04964	2.5
84.95993	2.0
85.02899	39.1
87.00801	2.5
87.04459	2.8
91.03969	1.4
91.05472	5.5
93.07044	7.6
95.04967	5.9
95.08600	1.8
97.02892	8.0
98.97579	1.8
99.04446	2.6
100.11273	1.9
103.05454	3.6
105.01879	3.1
105.07026	2.3
107.04967	10.2
107.08597	5.9
109.02892	3.0
111.04469	2.0
115.03923	4.6
115.05450	9.5
117.03370	2.1
117.07015	12.7
119.04934	2.9
121.06501	5.2
122.03643	3.4
123.04461	2.2
125.49738	1.6
127.03931	7.6
129.05479	5.3
129.06953	6.8
131.04930	3.8
131.08572	3.9
133.06474	2.3
135.04453	2.4
135.11696	7.4
137.05974	80.9
140.04633	1.6
141.06979	1.6
143.04898	7.4
144.05711	2.7
145.02832	2.9
145.05014	3.7
145.06476	27.9
146.99675	2.6
147.04515	1.6
147.08119	2.2
149.05989	1.7
153.05525	3.1
153.12706	1.3
155.06021	3.4
156.05693	3.7
157.06502	7.3
159.08073	5.4
160.05179	13.0
161.05971	8.6
163.03931	17.9
163.07555	2.9
167.07037	44.3
169.23267	1.4
172.05170	4.9
173.04430	2.4
173.05974	44.9
174.06772	2.3
175.07547	100.0
177.05516	2.5
177.09160	1.8
180.08675	4.2
181.08679	1.9
183.06538	2.0
187.05862	2.9
187.07539	46.3
187.09154	3.3
189.09090	7.0
190.06247	22.2
193.08580	5.2
198.13795	1.5
201.09036	1.5
202.06343	1.7
203.06996	7.0
205.08591	93.9
214.01634	2.2
217.08597	35.8
218.07187	2.3
219.01726	3.5
219.10066	2.5
233.09637	3.0
233.22578	1.5
235.07570	2.1
235.09625	49.0
237.02762	6.7
239.06799	2.0
241.08713	2.0
247.09634	7.3
249.06081	3.2
249.09091	3.6
255.01726	2.8
258.04190	2.5
260.08463	1.5
261.09113	3.3
263.07080	2.0
265.10730	32.7
269.08224	1.7
271.06345	1.7
273.02838	2.3
277.08591	4.7
278.09296	3.0
281.08447	1.6
281.11594	2.1
285.07593	6.4
289.08798	1.6
291.10147	2.3
293.11844	4.0
294.08987	2.2
300.09943	6.4
301.10809	2.4
309.11050	4.5
321.11279	8.5
341.13773	9.5
345.08002	2.0
353.13730	13.8
371.14896	27.6
399.09787	1.9
405.11243	1.8
426.11905	1.5
495.15179	3.9
527.14240	5.2
541.66101	1.6
567.43091	2.3
568.23865	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2784
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06953	0.4
64.00639	0.5
67.05458	1.3
69.07051	0.7
71.25898	0.4
71.59571	1.0
74.12013	0.5
76.23414	0.4
77.25667	0.5
81.03385	1.1
81.07015	1.4
83.01086	0.7
85.02882	0.9
91.05443	1.1
93.06983	1.4
107.08553	1.5
109.10089	1.8
121.10118	0.7
125.63551	0.4
135.11693	0.5
147.04311	1.6
157.10068	0.5
163.03908	2.5
184.07198	1.0
185.04089	1.4
186.15021	0.6
203.05214	1.2
254.84985	0.5
259.07721	1.6
283.15109	3.9
331.09943	0.6
339.17810	2.3
378.98688	0.6
387.15768	1.1
405.22229	1.4
567.27466	100.0
568.27313	2.0
582.63226	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	1.5
53.03941	2.6
54.22187	1.0
55.01868	4.0
55.74067	1.0
65.03927	3.7
67.05474	1.7
69.03437	2.2
69.61596	1.2
69.61890	9.4
78.04692	1.8
79.05479	5.8
81.03426	1.6
81.07023	2.1
85.02917	3.3
91.05474	16.0
93.03384	1.6
93.07036	2.7
94.04175	2.8
95.04975	11.9
95.08566	1.3
97.02864	2.2
98.20831	1.7
103.05464	50.5
105.03442	2.0
105.07016	9.6
107.04942	8.5
109.06515	3.8
110.03686	1.4
111.04448	4.1
115.03954	1.1
115.05471	5.7
117.07009	2.7
118.04082	1.0
118.16874	1.1
119.04951	13.3
119.08585	1.4
121.06490	5.3
122.03671	7.3
123.04430	10.0
123.08035	2.2
124.05231	1.7
125.05965	4.0
127.05487	1.1
128.06227	2.3
129.06987	3.9
131.04926	78.5
131.08557	1.4
133.02840	3.3
133.06471	8.2
134.03644	1.6
135.04404	2.8
135.08096	1.7
137.05972	100.0
138.06644	1.4
144.05728	1.8
145.06453	5.6
146.03632	1.4
146.07323	1.6
147.04395	10.7
147.07976	1.3
149.05951	6.8
150.06720	1.7
151.03911	8.7
151.07550	11.7
152.04614	1.5
153.05475	10.5
155.07027	3.2
156.05623	1.3
157.06483	3.6
159.04370	1.3
159.08044	1.7
160.05212	4.0
161.05978	25.4
162.06726	3.9
163.03931	3.0
163.07539	59.4
165.05490	3.1
167.07033	46.7
171.04457	1.7
172.05190	3.7
173.05988	4.0
174.06752	1.6
175.04010	1.2
175.07549	11.2
177.05519	8.1
177.09003	2.0
179.07054	11.4
179.08421	2.1
180.07841	1.3
181.04951	6.5
181.06441	2.3
181.08655	1.8
183.06491	4.7
185.05986	3.7
187.07535	13.6
189.05460	3.9
189.09077	4.9
190.06201	2.5
191.07018	8.3
192.07715	1.4
193.08600	3.0
199.07530	3.9
200.04633	1.5
201.05411	2.3
203.06956	7.8
203.08612	1.6
205.04781	1.5
205.06866	1.5
205.08562	8.1
207.06517	3.8
209.06131	1.3
209.08092	3.3
210.57555	1.1
211.07495	3.2
215.06975	2.9
217.08649	2.8
218.05583	1.8
218.07455	1.4
219.08160	2.4
221.08080	5.1
227.07002	1.7
229.08502	1.6
231.08110	2.2
233.08066	20.3
234.06764	2.3
234.08830	2.4
235.07552	2.6
235.09677	4.7
236.08289	1.4
238.06323	1.7
239.06967	1.5
240.07880	1.8
241.08514	1.7
247.07478	2.1
247.09729	1.6
248.08360	2.7
249.09100	3.2
250.06186	1.4
261.09021	1.5
263.09064	3.6
264.07990	1.6
265.08612	2.3
267.06519	1.4
268.07507	1.2
269.08035	2.4
270.08887	1.5
276.07718	2.1
277.08600	3.6
279.06467	1.8
279.10107	2.8
281.11713	2.1
287.05536	3.0
288.05649	1.4
289.05585	1.3
289.47934	1.1
291.06830	1.3
291.10153	3.0
293.08200	2.2
293.11664	1.3
294.08783	2.3
295.09732	3.0
296.10349	1.6
297.07675	1.1
297.11197	3.3
307.09644	4.1
309.08008	1.3
309.11240	4.9
311.09525	1.4
311.12848	4.2
313.10886	1.8
315.12152	3.4
319.09601	1.8
321.11243	3.7
323.12704	2.8
327.12253	3.1
335.12711	1.4
337.10687	3.0
339.12192	17.0
340.13022	13.5
341.13876	7.3
343.11578	1.7
343.15393	1.6
351.12231	3.3
353.13779	2.7
354.14633	2.3
357.13428	2.9
365.13898	2.1
369.13367	3.1
370.14130	3.5
371.14850	3.0
372.15689	1.9
381.13379	2.5
387.14316	10.2
392.10086	1.1
405.15515	2.1
451.31418	1.4
531.20209	1.3
537.20734	1.7
567.21771	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	567.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02387	1.2
51.15582	0.7
53.03930	1.5
55.01858	1.8
57.61825	0.7
65.03930	5.1
67.05489	1.8
69.03439	1.2
69.96121	2.1
69.96528	1.5
71.04988	1.4
78.04694	1.6
78.16486	0.7
79.05498	5.7
81.07021	1.1
82.04206	0.8
83.04940	0.8
83.59764	0.7
85.02930	0.8
91.05489	9.1
93.03390	1.1
93.07015	2.0
93.26254	0.7
95.04945	2.9
95.08567	0.8
97.06566	0.7
100.11286	1.2
102.04736	0.8
103.05460	4.1
105.03404	1.4
105.06378	0.9
105.07027	9.6
106.04146	1.4
107.04958	12.0
109.06516	1.2
110.03642	4.6
110.88335	0.7
111.04460	6.8
115.05438	5.0
117.07003	1.9
118.04156	1.9
119.04931	5.4
119.08568	2.1
121.06505	2.1
122.03653	2.2
123.04421	5.8
124.05191	3.9
125.05978	6.0
128.06218	2.1
129.07016	6.9
131.04922	6.2
131.08592	1.1
132.05724	1.7
133.02840	3.6
133.06493	8.1
133.10165	1.0
134.03642	0.6
135.04388	1.9
136.05180	1.5
137.05977	12.8
141.06952	1.2
143.08615	0.7
144.05701	1.5
145.06465	2.1
147.04404	5.8
147.08002	3.4
148.05168	1.2
149.05988	2.2
151.03911	1.6
151.07581	2.2
152.04669	2.4
153.05460	24.3
153.06755	1.2
155.04944	1.8
155.07016	0.7
156.05618	1.8
159.04411	0.9
159.08057	6.9
160.05148	2.6
161.05972	11.8
161.09631	0.8
162.06436	0.7
163.03940	1.2
163.07544	2.4
163.63715	0.7
165.05490	1.6
167.07034	100.0
171.08069	2.2
172.05206	2.1
175.07552	19.7
176.04736	0.8
177.05527	3.7
178.07785	1.8
179.07048	6.1
181.04988	1.7
181.06418	0.8
181.08586	1.6
183.08105	0.7
184.05165	1.9
185.05957	0.8
186.06694	0.7
187.07532	20.5
189.05449	4.4
189.07018	2.1
189.09097	2.5
190.07767	3.0
191.07011	11.7
191.08574	2.3
191.10085	0.7
193.08589	0.9
197.18214	0.6
199.07553	8.5
200.30559	0.8
202.07797	3.2
203.06854	1.2
203.08560	3.7
204.09291	1.3
205.06433	3.2
205.08214	0.8
205.10100	0.8
206.07222	3.0
207.06509	2.1
207.08188	1.6
209.08041	3.1
209.09811	1.0
210.14941	0.9
215.08621	2.1
216.07768	1.3
217.06470	1.1
217.08516	1.4
218.07245	4.4
219.08075	6.2
220.08806	2.9
221.09608	3.1
223.07603	1.7
226.63104	0.8
228.73189	0.8
229.08635	1.9
230.07121	1.0
231.08066	3.6
232.08917	1.7
233.05928	2.1
233.09677	3.6
234.06805	3.5
235.07503	4.2
235.09552	0.8
236.08324	2.3
236.78880	0.7
237.09140	1.5
245.05928	0.9
245.09566	1.0
246.06781	3.0
247.07562	4.2
248.08376	4.1
249.05524	1.1
249.09134	6.6
250.09779	2.0
251.07014	3.2
251.10677	3.1
257.05844	1.0
258.06808	0.9
259.07526	1.7
260.08316	2.4
261.05466	1.9
261.09079	4.8
262.06152	1.7
262.09824	1.3
263.07053	2.7
263.10626	2.0
264.07791	3.2
265.08560	6.0
266.09302	1.6
274.06036	1.2
275.07010	1.9
276.07785	6.7
277.08600	6.7
278.09351	3.2
279.06995	0.9
279.10031	3.7
280.07309	1.3
281.11707	6.4
283.09726	1.3
288.07697	1.5
289.08621	5.4
290.09326	2.4
291.10178	4.1
292.07309	1.4
292.10648	1.3
293.08084	4.0
293.11755	3.1
294.08884	2.8
295.09698	1.8
303.10400	1.1
304.07443	1.6
304.10718	0.9
305.07996	2.1
306.08768	2.3
307.09644	9.9
308.10342	4.2
309.11154	9.4
310.11630	0.9
311.09079	0.8
311.12695	1.1
319.09610	7.5
320.10529	1.7
321.07523	1.2
321.11020	6.5
322.11868	0.8
323.12744	2.8
324.10080	0.8
325.14346	1.2
326.11380	1.6
327.12225	0.9
329.09979	1.1
335.12939	1.2
336.09894	1.1
337.10623	2.3
339.12268	34.9
340.12866	0.9
341.13837	22.7
351.12231	18.4
353.13742	10.5
365.13995	1.0
369.13159	1.8
478.16611	1.6
549.21075	1.0
567.22028	1.3
567.34937	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02013	0.5
53.03960	0.5
55.01859	0.5
56.96552	0.6
57.03436	8.6
59.40294	0.5
61.02922	3.0
69.03422	5.8
70.33171	0.4
71.01355	0.8
71.04977	1.5
71.14520	0.4
71.57720	0.5
71.58109	0.6
73.02915	16.5
74.02434	0.5
81.03396	0.9
85.02905	9.8
86.06048	1.3
87.04462	5.5
88.03998	1.4
91.05479	1.4
95.04944	0.8
97.02902	3.7
98.97572	0.5
99.04456	0.5
101.16653	0.5
102.05566	0.7
103.05500	0.6
104.07101	7.0
107.04951	69.7
108.05270	0.7
109.02905	1.1
109.25242	0.5
115.03927	1.6
115.05430	2.6
116.03466	0.6
117.06985	0.7
119.04957	0.8
121.06493	3.8
123.04424	10.1
127.03933	2.5
131.04904	0.7
133.06512	1.4
134.04491	1.9
136.06192	3.8
137.05986	1.2
143.04909	7.5
145.04947	0.8
145.05287	0.8
145.06479	6.1
148.06107	1.1
149.05986	2.0
151.07501	0.8
161.05966	21.7
164.07063	5.6
177.00734	0.7
178.04930	0.5
178.08769	0.7
180.01254	0.5
191.08452	0.7
191.70073	0.5
202.81389	0.5
209.09698	1.9
219.01765	0.7
226.06207	0.8
237.02843	1.2
237.09097	3.0
255.10152	32.0
272.12805	23.6
321.10184	1.1
322.10742	0.6
434.18079	19.4
564.72131	0.7
566.22321	100.0
567.22858	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	567.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18795	0.6
53.03933	0.8
55.01842	0.9
65.03933	6.7
67.05489	1.6
68.91344	0.6
69.79359	2.8
69.79773	1.7
69.92151	0.6
77.03909	0.7
77.43623	0.7
78.04682	2.7
79.05489	5.9
82.04168	1.1
84.17995	0.6
91.05472	10.5
93.03387	1.7
93.07040	0.7
95.01294	0.8
95.04951	3.6
98.20868	0.9
103.05465	3.8
103.42149	0.7
105.04509	1.1
105.07016	10.8
106.04168	1.6
107.04948	10.3
107.05628	1.2
108.02078	0.8
110.03645	6.7
111.04447	7.9
115.05441	4.8
116.06245	1.0
117.07001	1.5
118.04159	1.8
119.04951	7.4
119.08568	2.2
121.06517	1.9
122.03650	0.8
123.04410	5.8
124.05197	4.5
124.05959	0.8
125.05985	8.4
128.06201	3.9
129.07014	6.5
130.04082	0.8
131.04926	5.1
132.05733	2.0
133.02823	1.9
133.06500	8.0
135.04381	1.1
137.05951	9.5
141.07001	0.9
143.06010	0.7
144.05679	1.9
145.06479	2.2
146.07292	1.0
147.04408	7.8
147.08041	3.2
149.05946	1.6
151.03912	2.3
151.07533	1.1
152.04697	2.4
153.05453	37.6
155.04866	1.0
156.05652	1.9
157.06458	0.7
159.08029	8.2
160.05177	1.9
161.05965	14.0
163.07487	1.2
164.04689	0.7
165.05534	1.2
165.06932	1.2
167.07031	100.0
168.05905	0.8
168.07326	1.2
169.06502	0.8
171.04352	1.2
171.08061	1.3
171.36354	0.6
172.05196	2.5
175.07536	23.3
176.04642	0.8
177.05437	2.5
178.07738	2.4
179.07025	6.2
181.04939	0.9
181.06482	1.1
184.05263	1.8
185.05998	1.7
186.06746	1.4
187.05850	1.2
187.07518	21.6
189.05444	6.8
189.07027	3.1
189.08882	1.3
190.07777	2.9
191.07010	9.3
191.08578	3.1
192.04210	0.7
193.06470	0.9
199.07532	9.2
200.86133	0.6
201.09129	0.9
202.07719	4.0
203.08569	5.2
204.09383	0.9
205.06450	2.9
205.10126	1.2
206.07263	2.5
207.06494	1.8
207.08078	2.4
209.06171	0.7
209.08028	2.3
215.06927	1.2
215.08635	1.8
215.10641	1.0
216.07750	3.3
217.06546	0.9
217.08492	1.0
218.07294	5.4
219.08017	8.5
220.08844	3.0
221.05977	1.9
221.09644	5.3
222.06816	0.7
223.07529	0.9
229.08611	2.9
230.07172	0.9
231.08023	5.6
232.08824	2.0
233.06001	3.4
233.09546	4.0
234.06790	5.1
235.07509	5.0
236.08275	3.3
237.05510	0.7
237.09061	2.4
239.06970	1.3
243.07976	1.0
245.05981	2.4
245.09615	0.9
246.06718	3.4
247.07593	6.3
248.08224	5.9
249.05453	0.9
249.09129	9.4
250.06218	0.8
250.09799	1.8
251.06870	3.2
251.10622	5.0
253.08498	1.2
257.05893	0.7
258.06799	1.3
259.07596	3.6
260.08313	2.3
261.05722	3.1
261.08978	5.4
262.06308	2.4
262.09833	1.4
263.07019	2.4
263.10684	2.2
264.07791	5.5
265.08545	6.7
266.09399	2.4
273.05414	0.7
273.09070	1.2
274.06186	0.9
275.07056	4.1
275.09872	0.7
276.07788	8.7
277.08521	8.1
278.09244	5.0
279.07220	1.0
279.10123	4.5
280.10867	0.9
281.08331	1.6
281.11636	10.0
288.07867	2.4
289.08426	5.2
290.09296	3.1
291.06772	1.0
291.10138	4.6
292.07373	1.9
293.08054	4.5
293.11783	2.8
294.08844	2.1
295.09525	2.0
296.10345	0.9
301.08560	1.2
304.07275	2.5
305.08041	1.9
306.08792	2.8
307.09634	18.8
308.10434	5.8
309.07776	1.2
309.11179	10.4
310.11987	1.1
311.12805	1.8
319.09625	12.9
320.10522	1.6
321.07620	1.2
321.11182	9.3
322.12000	1.6
323.12646	5.7
324.09897	0.9
325.10690	1.0
325.14368	1.1
326.11484	2.6
336.09750	1.2
336.13510	1.3
337.10718	1.9
339.12241	61.6
340.12656	1.2
341.13818	25.3
351.12259	27.2
352.12845	1.3
353.13855	10.9
369.13354	1.9
499.17432	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.7
55.52896	0.3
57.03436	7.0
61.02921	2.5
62.11532	0.3
69.03426	4.0
69.83183	2.1
71.01350	0.6
71.04986	0.4
73.02917	15.3
79.05492	0.7
81.03406	0.8
85.02415	0.6
85.02903	8.2
87.04463	0.6
91.05476	1.1
93.07014	0.3
95.04968	0.8
97.02895	4.3
99.04464	0.4
103.05475	0.3
105.06963	0.3
107.04952	58.9
107.26604	0.3
109.02872	0.6
115.03927	2.2
115.05451	3.2
117.07000	1.1
119.04905	0.5
121.06480	2.6
123.04426	8.7
127.03914	1.3
131.04926	1.1
133.06485	1.5
135.04387	0.4
136.07545	0.4
137.05962	1.7
143.04924	7.3
145.05110	0.6
145.06480	6.5
149.05937	1.9
155.06024	0.4
161.05981	16.7
163.03979	0.4
164.07057	4.8
178.03825	0.3
193.06245	0.3
209.09604	1.6
219.08014	0.4
226.06209	0.5
237.02841	0.8
237.09097	2.6
240.07872	0.5
255.10165	31.2
259.06570	0.6
272.12799	23.0
337.06073	0.3
434.18103	20.5
435.18512	0.5
566.22321	100.0
567.22662	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1896
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01596	0.8
53.03944	2.9
55.01867	3.0
55.05502	1.9
57.03439	8.9
58.49025	0.8
59.42825	0.9
61.02919	1.6
65.03944	1.6
67.01875	0.9
67.05499	3.1
68.99794	2.3
69.03425	12.3
69.07073	0.8
69.58295	2.5
69.58721	4.3
71.04994	50.6
73.02924	2.3
73.55796	0.7
75.04482	2.1
78.04691	1.4
79.05485	4.4
81.03407	5.5
81.07068	4.1
83.04957	2.4
85.02906	63.2
85.06554	1.1
87.00823	1.4
87.04458	1.5
91.05479	8.3
93.07032	2.3
94.04195	0.9
95.04966	4.9
95.08607	2.0
96.80815	0.9
97.02887	4.5
99.04439	2.2
103.05469	7.9
105.03384	1.6
105.07029	4.1
107.04961	10.9
107.08596	1.2
109.02853	4.9
109.06479	1.3
111.04442	3.9
115.05463	5.0
117.07032	2.0
119.04952	2.5
119.08574	1.5
121.02895	1.5
121.06522	2.8
121.10145	1.4
122.03633	2.0
123.04433	3.5
124.05190	1.6
127.03899	5.7
129.05486	16.9
129.06999	1.3
130.12949	0.9
131.04932	20.5
132.05727	0.9
133.02861	6.5
133.06496	3.4
135.04408	3.0
137.05969	17.5
139.03888	1.3
143.04918	1.6
144.05707	1.2
145.04884	1.6
145.06503	3.8
145.10213	1.3
147.04401	2.6
147.06538	3.9
147.08067	2.6
149.05980	3.6
151.03906	8.3
151.07541	4.7
153.01823	31.8
153.05499	1.7
159.02890	1.4
160.05171	1.0
161.06021	6.5
163.03929	3.9
163.07529	3.4
165.01852	1.3
165.05450	4.0
165.06816	1.0
165.09209	1.0
167.03363	1.1
167.07043	42.2
171.02893	11.5
171.04274	1.6
173.05966	5.4
175.07565	3.5
177.05560	2.0
177.09102	2.1
179.03395	2.2
179.07043	1.3
181.04967	11.0
181.06465	1.4
183.02913	3.1
187.07549	1.9
189.05424	0.9
189.09097	0.9
191.03427	2.3
191.07034	5.7
193.04810	0.9
193.08630	3.1
195.02898	13.3
197.05991	1.3
199.07619	1.1
201.05370	1.0
203.07085	1.2
205.08626	2.8
207.06425	1.2
211.09589	1.0
215.07068	2.7
217.04958	0.9
219.02905	2.1
219.06386	1.3
221.08078	1.1
223.07629	1.1
231.02905	1.2
233.08110	0.9
235.09676	5.0
241.08594	1.8
243.06508	1.2
245.04460	3.6
247.07672	1.1
255.10242	1.6
257.08087	100.0
258.08426	1.4
263.05502	2.6
264.07785	1.0
265.08636	1.5
269.08130	4.4
271.06119	1.0
278.09555	1.1
279.09952	1.7
281.08344	2.0
283.09839	1.3
287.05505	8.0
287.12775	1.0
289.08356	1.1
291.06564	0.9
293.07880	1.0
295.09479	1.1
299.09106	8.7
301.10791	1.0
307.09650	2.3
308.10220	1.0
309.11322	1.3
311.09183	1.7
315.12390	2.0
317.06549	51.2
318.06897	1.1
321.11157	1.8
323.09058	7.1
329.10114	4.7
337.10635	1.4
339.12238	2.9
349.10800	4.6
351.12375	1.0
353.13953	1.3
355.11609	1.7
367.11746	8.3
369.13419	1.8
371.71576	0.9
381.13434	1.8
383.10855	1.6
385.12805	4.6
386.13474	2.0
387.14456	2.3
403.13904	3.7
411.14328	1.6
419.13718	1.7
533.18134	1.1
535.19836	2.4
547.19696	1.5
565.20624	18.2
565.29016	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1552
Annotation	Kaempferol 3-rhamnosyl-(1->4)-xyloside
Peak:m/z	Relative Intensity
55.01858	0.7
55.05502	0.7
57.03429	3.0
59.04990	0.4
67.05479	0.4
69.03418	3.4
69.63412	3.1
71.04987	15.5
73.02912	4.2
74.65467	0.4
75.04466	0.8
79.05478	0.7
80.69048	0.4
81.03462	0.5
81.07041	0.9
83.04973	1.7
85.02901	23.6
86.03267	0.5
87.04435	0.8
97.02882	3.4
98.21464	1.0
98.32070	0.4
99.04451	1.5
102.52428	0.5
106.75159	0.4
107.04957	3.8
111.04436	2.1
114.70189	0.4
115.03930	3.5
117.05519	0.5
121.02852	2.3
129.05472	6.6
135.04391	1.1
137.02338	0.6
137.05966	0.7
139.03880	0.7
147.04373	1.1
147.06514	2.9
153.01857	2.1
153.05453	0.8
163.03908	3.5
165.01810	1.2
167.07056	1.5
183.02869	0.9
189.05553	0.5
196.55850	0.5
213.05508	0.8
225.07625	1.3
227.07112	0.6
241.04919	0.9
255.06464	1.0
258.05316	1.1
287.05490	100.0
288.05829	1.2
299.05429	1.1
302.71536	0.5
311.05481	0.6
329.06467	1.6
353.06552	0.9
365.06339	0.9
373.12683	0.5
383.07458	2.6
401.08560	1.2
419.09723	5.8
462.04706	0.5
565.22614	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1188
Annotation	Isorhamnetin 3-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
52.29581	0.3
52.53770	0.3
53.03942	2.3
53.89816	0.3
55.01869	1.6
55.05496	0.5
57.03416	1.3
61.02914	1.2
66.98140	0.4
68.99775	1.1
69.03427	6.5
71.04984	1.9
71.60108	0.4
73.02910	1.8
79.17418	0.4
81.03416	8.2
81.07056	0.4
83.04977	0.5
85.02908	13.4
85.30882	0.3
87.00828	4.9
91.03897	0.4
91.05469	0.4
92.02618	0.4
93.03416	0.6
95.04962	0.5
97.02346	0.5
97.02895	4.4
99.04456	2.3
100.11215	0.6
105.01872	3.3
105.07044	0.4
107.04965	0.7
109.02881	7.2
111.04441	0.9
115.03921	0.4
117.01838	0.9
118.02547	0.4
121.02877	1.5
127.03921	10.8
129.01834	1.1
129.05521	0.5
131.04916	0.6
135.04405	0.8
137.05971	1.4
139.03839	0.8
145.04958	3.6
145.06071	0.4
145.06534	0.3
147.02924	0.8
147.04382	1.1
149.06067	0.4
151.03914	1.0
153.01828	5.7
153.05473	1.2
159.02881	4.7
161.05910	0.6
163.03905	2.2
165.01808	0.6
167.06992	2.1
176.07077	0.4
177.05464	0.8
181.04926	0.4
197.84703	0.4
200.04799	0.4
201.05463	0.5
204.06335	0.4
207.06477	0.4
210.14929	0.4
211.15242	0.4
213.43027	0.3
217.04994	0.8
228.04153	1.0
229.04945	2.4
231.05009	1.3
245.04407	0.6
246.05267	1.3
257.04556	1.9
257.08249	0.4
273.03925	1.5
274.04791	3.3
284.03256	0.4
285.03909	3.2
287.05533	4.2
302.04202	9.9
317.06558	100.0
318.06857	2.0
387.14310	0.5
403.14307	0.4
564.30713	0.7
564.40332	0.9
565.20087	0.7
565.30743	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1549
Annotation	Kaempferol 3-rhamnosyl-(1->4)-xyloside
Peak:m/z	Relative Intensity
53.03958	0.2
55.01868	0.7
55.05503	0.4
57.03437	3.9
59.04982	0.3
61.02932	0.5
64.66409	0.2
68.70161	0.2
68.99805	0.5
69.03429	2.4
70.07250	0.8
71.01360	0.7
71.04995	22.1
73.02912	1.5
75.04477	1.2
81.03423	0.2
83.04992	1.9
85.02906	27.3
87.04456	0.9
95.04973	0.4
97.02289	0.2
97.02898	3.6
97.06511	0.2
99.04465	0.4
101.06024	0.2
103.03954	0.2
107.04945	0.4
109.02884	0.2
111.00806	0.7
111.04453	2.0
113.02366	0.2
113.06053	0.2
115.03928	4.3
119.04956	0.1
121.02859	2.5
123.04410	0.2
127.03915	0.5
129.05481	9.2
133.02859	0.3
133.04987	0.5
135.04346	0.2
136.22763	0.2
137.02327	0.6
139.03903	1.0
147.04414	0.4
147.06525	3.6
153.01846	2.4
153.05527	0.3
157.04950	0.3
157.06450	0.2
165.01822	1.4
165.05586	0.2
165.07616	0.2
169.04964	0.2
171.06534	0.7
177.05496	0.2
183.02875	0.5
185.05980	0.3
195.06419	0.2
199.05988	0.4
203.03397	0.2
207.06453	0.2
213.05461	0.9
214.03867	0.2
217.07062	0.2
225.07581	1.2
231.06520	0.6
241.04984	0.6
243.08696	0.8
258.05316	0.7
259.05997	0.3
269.04480	0.3
287.05499	100.0
288.05762	1.1
297.07617	0.2
299.05539	1.6
300.06284	0.2
311.05527	0.4
313.07172	0.2
317.06534	0.4
325.06985	0.6
329.06491	1.5
337.06982	0.5
341.06650	0.2
353.06531	1.7
360.46198	0.2
365.06445	0.6
383.07623	2.1
401.08627	0.8
419.09723	2.5
525.46637	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.338
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.9
55.01867	4.9
55.05508	11.0
57.03429	16.3
61.02924	7.5
67.05508	31.0
68.60393	3.3
69.03423	8.5
69.07079	17.1
69.89356	17.7
70.98615	3.2
71.04986	10.0
79.05494	27.3
81.03419	7.8
81.07059	38.2
83.08617	7.7
85.02876	16.7
85.06520	8.4
86.09708	5.4
91.05476	37.9
93.07031	37.4
95.04958	4.3
95.08616	28.1
97.02891	12.2
97.06544	4.1
97.10167	7.1
101.34780	3.7
105.07035	42.0
107.05035	4.3
107.08606	36.6
109.06496	6.5
109.10152	16.2
114.34076	4.0
117.07017	21.5
119.08582	39.6
121.06460	5.3
121.10136	11.7
125.09620	7.0
129.07016	13.1
131.08560	25.9
133.10135	19.7
135.11662	12.2
137.05983	8.1
137.13329	4.2
143.08559	10.7
145.10109	29.2
147.04391	5.8
147.11693	15.4
147.73764	3.7
149.09639	8.2
155.08528	5.4
157.10170	9.7
159.11696	33.4
161.09531	4.4
161.13257	6.5
163.03920	6.3
167.07083	6.8
169.10135	4.6
171.11713	9.1
173.13268	15.9
177.05353	5.1
177.12805	4.3
183.11694	9.6
184.07301	6.0
185.13297	20.5
191.14297	4.2
197.13167	5.4
203.14345	7.8
219.17429	5.6
229.19438	4.5
237.02840	4.1
239.17964	11.9
255.15855	9.6
257.18970	31.0
269.17499	8.8
275.17065	5.4
275.20016	46.8
287.05469	6.4
302.38934	3.9
349.23758	100.0
367.24878	5.7
398.13956	5.2
409.64801	3.8
480.97729	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	563.3939
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14707	3.5
52.84558	3.6
53.03953	4.4
55.01854	5.8
55.05504	29.6
57.03430	6.5
57.78008	3.2
61.15274	3.4
63.23268	3.8
65.03950	4.8
65.32777	3.1
67.05167	5.7
67.05504	80.3
69.03423	5.8
69.07074	25.9
70.87675	3.4
71.04979	6.7
71.58293	6.5
79.05492	47.5
81.03408	13.6
81.07056	82.1
83.04975	14.2
83.08610	24.3
85.02895	6.1
85.06535	5.9
91.05477	39.3
93.07042	47.9
95.04959	13.1
95.08599	64.4
97.06498	9.2
97.10152	16.8
99.08085	7.3
100.03457	3.7
105.07035	44.4
107.04957	5.2
107.08596	31.8
107.63306	3.2
109.06557	5.2
109.10162	36.8
111.08056	7.5
113.32636	3.4
114.01022	3.3
114.76175	3.4
117.06982	19.0
119.04910	4.2
119.08591	31.8
121.10143	36.4
123.08084	7.6
123.11675	10.6
125.09621	11.0
129.06987	11.1
131.08571	31.2
133.06390	3.3
133.10161	24.8
135.08037	4.2
135.11714	17.8
137.13225	4.4
139.11211	5.4
143.08542	7.5
145.10115	27.5
147.04388	11.2
147.11693	18.9
149.09593	8.2
149.13222	6.5
153.12886	3.5
157.10161	12.8
159.08167	4.3
159.11682	21.2
161.13263	10.4
165.12743	4.7
169.10130	8.1
171.11687	11.0
172.95229	8.7
173.13255	9.7
175.11211	7.3
175.14772	5.3
183.11531	5.5
187.14827	6.8
189.11243	8.1
190.96216	7.5
193.12265	18.4
195.11623	3.5
197.13284	4.2
199.14795	5.9
211.13167	22.5
227.12755	11.7
229.14403	7.6
259.47141	3.9
261.22064	8.3
267.15921	6.2
279.22958	5.4
283.15564	4.2
285.16910	11.5
285.21942	5.1
289.21603	7.0
303.23151	12.4
317.24582	5.3
335.25821	18.3
341.24500	4.7
435.32431	11.7
453.33560	15.4
471.34760	12.0
487.33984	5.4
488.59891	3.7
522.22003	5.1
527.37439	47.3
545.38318	100.0
563.29974	6.2
563.39148	38.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3945
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32019	1.7
51.02374	2.0
53.03935	5.7
55.01875	9.0
55.05509	30.9
57.03439	12.6
57.07074	4.7
58.23505	2.0
65.03947	4.2
67.05506	84.9
69.03427	3.2
69.07065	24.0
70.15304	4.3
70.15701	4.1
71.04997	5.9
79.05497	52.7
79.05956	3.4
81.03423	23.3
81.07060	86.2
83.04974	14.4
83.08617	22.2
85.02919	7.6
85.06544	5.3
91.05481	48.4
93.07044	58.1
95.04979	19.2
95.08609	63.7
96.07965	2.4
97.06538	8.5
97.10174	17.6
99.08114	2.8
105.07027	43.9
105.07675	3.3
107.04965	6.0
107.08600	40.4
109.06542	4.6
109.10166	30.4
111.04449	7.5
111.08089	8.6
113.09658	2.9
115.05450	2.7
116.54928	2.1
117.07025	17.0
119.08585	37.0
121.06527	2.8
121.10152	29.5
123.08070	3.8
123.11694	13.5
125.05972	1.9
125.09644	13.5
128.06216	2.2
129.06998	12.7
131.08574	32.4
133.06462	3.0
133.10135	25.8
135.08115	2.9
135.11700	22.2
137.09587	2.0
137.13283	3.4
141.06947	3.1
143.08565	8.6
145.10138	23.9
147.04428	5.5
147.08099	3.4
147.11678	18.5
149.09586	4.5
149.13248	9.7
153.12741	3.8
155.08565	3.8
157.10112	13.3
159.11699	17.3
161.13266	7.8
163.11201	6.4
163.14806	2.4
165.12753	4.2
169.10115	7.6
171.11673	9.8
173.11937	3.9
173.13293	12.8
175.11229	6.4
175.14789	4.2
181.10156	3.0
181.12292	5.5
183.11716	6.0
185.13281	7.2
187.14809	4.7
189.11256	4.6
191.10651	4.7
193.12260	18.8
195.11591	3.0
197.13333	3.1
199.14781	4.8
201.16296	3.7
211.13271	26.9
211.14995	3.2
213.95056	1.8
226.76469	2.1
227.12747	9.8
229.14362	6.0
233.15565	2.0
234.10307	1.9
243.21288	2.8
261.22107	14.2
267.15860	5.3
279.23306	4.4
283.15561	6.1
285.16983	12.1
285.21988	4.6
299.23758	4.1
301.21747	2.3
301.25308	2.6
303.23340	5.5
317.24817	3.3
335.25827	27.8
359.25717	4.2
417.31226	3.5
435.32910	12.1
453.33798	13.0
471.34601	12.3
473.32391	3.7
487.34250	5.2
505.35474	2.8
509.35855	3.4
523.74127	2.0
527.37299	34.0
528.38049	2.0
545.38379	100.0
546.39215	5.2
563.39270	34.8
593.04956	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	563.394
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	2.6
55.01862	8.9
55.05265	2.6
55.05510	41.0
57.03426	15.1
57.07072	5.4
61.24441	1.7
65.03938	3.4
67.05500	90.4
69.03411	4.9
69.07067	26.5
69.87268	3.6
69.87678	10.9
71.04979	7.9
79.05486	45.7
81.03408	27.6
81.07049	100.0
83.04980	15.6
83.08602	26.1
85.02890	10.5
85.06539	5.4
91.05470	48.6
93.06468	4.0
93.07036	59.0
95.04961	21.9
95.08601	60.5
97.02875	2.1
97.06518	10.5
97.10156	19.6
98.20815	3.5
99.08075	3.9
105.07027	46.9
107.04948	5.4
107.08585	42.0
109.06546	4.3
109.10157	30.2
111.04444	7.1
111.08082	10.0
115.05445	3.4
117.07017	15.2
119.08572	40.5
121.06483	3.4
121.10136	25.7
123.08053	3.5
123.11681	12.6
125.09610	12.9
128.06194	4.2
129.06999	11.4
131.08551	32.4
133.10127	29.4
134.40350	1.7
135.08055	3.9
135.11713	15.9
137.09538	2.7
137.13232	4.6
139.11163	2.9
140.67242	1.7
141.06985	2.2
142.07785	2.3
142.90616	1.9
142.91690	2.1
143.08560	11.1
145.10127	26.2
147.04384	2.8
147.07994	2.7
147.11673	26.3
149.09595	6.8
149.12160	2.4
149.13190	9.5
151.11195	3.8
153.09029	2.4
153.12714	3.6
155.08548	4.4
157.10100	18.7
159.11682	19.6
161.09491	2.8
161.13264	8.8
163.11198	6.4
163.14902	3.7
165.12735	2.8
169.10130	5.0
170.10880	2.0
171.11673	9.3
173.09811	3.1
173.11842	3.9
173.13261	15.5
175.11150	7.9
175.14833	3.7
177.12703	2.7
181.12357	4.8
183.11707	7.9
185.13258	8.7
187.11296	2.3
187.14879	6.5
189.11171	7.3
189.16464	2.1
191.10701	2.3
191.14296	2.1
193.12236	27.7
195.11682	2.5
197.13301	3.6
199.14828	4.6
201.16335	4.0
209.13243	2.8
211.13240	33.2
211.14972	3.6
223.14813	2.8
227.12782	8.7
229.14195	2.6
261.19678	2.0
261.22113	12.5
267.15906	4.6
279.23227	3.1
285.16940	16.0
285.22095	6.6
299.23569	3.9
301.24997	4.4
303.23193	5.7
317.24707	3.9
335.25903	17.2
351.25208	2.3
359.25812	2.1
372.72858	2.1
377.27240	2.8
417.31479	2.8
435.32437	10.3
451.30490	2.7
453.33466	11.9
471.34933	12.0
473.32217	3.5
487.34030	3.8
489.35565	4.0
509.36417	3.2
527.37225	42.0
545.38318	86.7
563.39294	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	563.2098
Annotation	His Tyr Glu Asp
Peak:m/z	Relative Intensity
54.34746	0.2
56.39639	0.2
57.77617	0.2
70.77581	0.7
71.04991	0.3
72.07829	0.2
83.01105	0.6
84.01875	0.2
85.02914	0.3
87.33541	0.2
87.43757	0.2
91.52083	0.2
95.01083	1.4
96.01887	0.8
103.05479	0.5
107.04967	1.0
112.01348	0.6
113.02126	1.7
119.04995	0.2
131.04939	0.5
137.06006	0.9
139.23311	0.2
147.04457	0.4
157.04692	0.4
159.04221	0.3
161.06033	0.5
163.07571	0.7
167.03183	0.5
185.04231	3.6
185.05711	0.4
189.05246	0.8
201.03760	1.0
202.06055	1.0
203.05276	4.8
204.07610	4.1
205.08357	0.5
225.70212	0.2
324.41846	0.2
353.13596	1.5
365.12234	0.7
366.12793	0.3
383.14484	0.3
401.15915	0.6
563.20984	100.0
564.21381	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	563.3365
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93886	0.6
54.58402	0.7
57.07056	1.6
65.03932	0.7
67.05504	3.5
69.07047	1.1
70.52238	0.7
71.36476	1.3
78.58673	0.6
79.05497	4.4
81.07053	70.5
82.92505	0.7
87.15315	0.7
89.14224	0.7
91.05478	18.1
91.21886	0.7
92.18039	0.6
95.04962	1.9
95.08601	9.8
99.00809	4.1
100.21568	0.7
107.04957	6.2
109.10121	0.9
117.01837	2.8
119.04939	41.6
120.05681	1.1
125.25871	0.6
137.13251	21.5
138.90154	0.7
145.06429	0.7
165.06981	0.8
167.08540	1.7
174.26253	0.6
177.06982	1.2
195.07982	3.4
213.09094	100.0
237.09142	0.9
284.00647	0.7
311.09106	2.3
329.09970	1.5
563.37280	1.0
583.84351	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1756
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02388	0.3
53.03959	0.7
55.01866	1.2
57.03424	0.5
61.02909	0.3
62.76426	0.2
68.82388	0.1
69.03426	0.4
69.54438	1.1
73.02900	0.2
77.03915	0.2
79.05494	0.9
81.03419	1.0
85.02903	2.6
91.05470	0.2
95.01308	0.4
95.04959	1.7
97.02875	1.1
103.03936	0.4
103.05487	0.2
105.03377	0.2
105.04512	0.2
105.54845	0.1
105.88837	0.1
107.04947	100.0
108.05281	0.6
109.02885	0.9
117.07014	0.1
119.04942	0.2
121.02860	1.7
121.06486	0.7
123.04415	0.6
127.03922	0.2
129.05417	0.1
129.07016	0.3
131.04950	0.9
133.06487	0.3
135.04414	0.6
139.03917	1.0
141.06950	0.3
145.02884	0.1
145.06482	0.6
147.04427	0.8
149.02312	0.4
149.06000	1.0
151.03899	1.0
155.04947	0.2
157.06538	0.5
158.07303	0.2
159.04445	0.6
161.05963	0.5
163.03896	1.6
165.05463	0.4
167.03464	0.2
169.06519	0.5
171.04411	0.3
171.08011	0.2
173.06004	1.4
175.03893	1.5
175.07515	0.2
177.01900	0.2
177.05482	1.4
179.03358	0.2
181.04971	1.0
181.06416	0.3
183.07997	0.2
185.05925	0.9
187.03911	1.4
187.07518	0.3
189.05461	1.0
191.03392	0.5
191.07037	0.5
193.04951	2.2
193.06511	0.2
195.02991	0.2
195.08115	0.2
197.06013	0.6
199.03845	0.4
199.07524	0.4
201.01750	0.2
201.05452	2.4
203.03378	0.5
203.07016	0.9
205.04939	5.3
207.06444	0.2
209.05948	0.2
211.03914	0.3
211.07550	0.3
213.05472	1.1
213.51747	0.2
215.03377	0.4
215.07086	0.6
217.04958	3.5
217.08415	0.2
219.03053	1.1
219.06496	3.1
221.04459	0.6
223.07617	0.3
225.05472	1.1
227.03313	0.2
227.07010	0.9
229.04944	2.4
229.08470	0.2
231.02954	0.3
231.06487	2.3
233.04417	0.6
235.05942	1.1
237.05606	0.4
239.03351	0.2
239.07111	0.3
241.04915	1.7
243.02934	0.2
243.06496	2.4
245.04497	0.4
245.08014	1.1
247.05994	6.8
251.07033	0.5
253.04901	1.1
255.06505	1.3
257.04437	0.7
257.08099	0.5
259.05991	7.4
261.07645	0.3
263.06958	0.2
265.04880	0.3
267.06451	1.0
269.04657	0.3
269.08099	0.6
271.06000	4.4
273.07504	2.4
275.05380	0.3
277.07291	0.4
279.06531	0.9
281.04532	0.4
281.08160	0.3
283.05948	2.4
283.08987	0.2
285.04291	0.3
285.07471	2.2
287.05566	0.6
287.09158	1.1
289.06952	1.9
291.06189	0.2
293.08151	0.4
295.06006	0.7
297.07489	2.0
299.05499	0.6
299.09137	1.3
301.07059	5.8
307.05936	0.5
307.08905	0.3
309.07477	0.4
311.05515	0.4
311.09167	1.5
313.07016	5.2
315.08752	0.6
319.08441	0.3
321.07578	0.3
323.09106	0.8
325.07034	3.8
325.10938	0.2
327.08893	0.2
331.08853	0.2
335.09036	0.6
337.07047	0.6
337.10666	0.2
339.08514	0.3
341.10092	1.0
343.08078	1.7
347.09015	0.4
353.10165	8.5
355.08170	0.9
359.09003	0.3
361.09451	0.6
365.10156	5.0
367.08060	0.8
371.08499	0.2
373.10138	0.2
377.10150	2.3
379.11227	0.2
381.10242	0.2
383.11298	2.0
385.09714	0.5
389.10095	1.8
391.11423	0.4
393.09677	0.5
395.11237	4.1
401.10675	0.6
403.11136	0.6
405.09265	0.2
407.11252	11.2
408.11713	0.2
411.10611	0.3
413.12363	2.9
419.11145	9.0
420.11984	0.2
421.12250	0.2
425.12421	1.4
429.11816	0.5
431.13409	15.5
432.13345	0.2
437.12369	1.4
443.13022	0.9
449.12271	9.6
450.12827	0.2
455.11243	0.2
461.12280	3.3
467.13370	7.6
473.12390	1.5
479.13333	4.6
485.14404	10.0
486.14325	0.3
491.13345	3.0
492.13193	0.2
497.14386	8.9
509.14401	4.7
510.14731	0.2
515.15552	0.6
527.15442	5.5
545.16400	4.5
563.17590	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1546
Annotation	Epicatechin-(4beta->8)-epiafzelechin
Peak:m/z	Relative Intensity
51.02357	0.6
53.03940	0.9
55.01862	2.0
65.03924	1.4
67.01874	0.5
68.99783	4.1
69.51858	3.8
70.06566	0.5
71.04987	0.8
76.30061	0.5
77.07425	0.4
79.05479	1.4
81.03417	0.7
85.02899	1.7
91.05466	5.9
93.03419	0.7
93.90513	0.5
95.04951	4.0
97.02876	0.6
105.04539	0.7
105.07035	0.9
107.04946	100.0
109.02857	0.5
110.61249	0.6
111.00780	2.0
111.04424	3.6
115.05431	0.8
117.07001	1.0
119.04932	53.7
121.02860	4.9
123.04415	28.7
127.03931	3.9
129.07059	0.7
131.04955	1.4
133.06487	7.6
135.04393	1.2
137.02370	1.0
137.06009	1.0
139.03886	33.1
145.06473	11.2
147.04396	53.5
148.05019	0.7
149.02335	9.4
149.05939	0.5
151.03885	13.8
153.05724	0.4
153.06921	1.3
157.06476	4.2
159.04442	0.9
159.08057	1.3
161.05972	7.5
163.03909	6.2
165.05493	6.1
165.06909	0.7
167.03392	19.9
169.05011	0.4
169.06485	1.3
171.04395	10.4
171.05705	0.8
171.08083	1.2
174.75693	0.5
175.03867	3.5
175.07556	0.5
177.05489	1.9
179.03395	9.4
181.06511	2.1
183.08073	0.6
185.05951	4.7
187.03905	1.5
187.07573	4.4
189.05452	10.6
191.03384	11.5
193.04913	3.5
197.05972	1.7
199.07532	3.7
201.05461	2.9
203.03369	7.3
203.06995	1.0
205.04997	1.9
207.06584	1.9
213.05501	5.0
215.03429	1.5
215.07025	1.8
217.04970	1.2
222.50212	0.5
225.05478	0.7
227.03522	0.8
227.07025	4.8
229.04976	3.9
231.06503	26.3
233.04448	5.5
239.06934	1.8
241.04906	1.3
243.06522	9.9
245.04482	6.6
245.08092	5.3
251.05559	1.8
255.06516	17.2
257.04425	10.1
257.08191	1.2
259.05951	1.2
267.06531	7.0
269.04453	2.8
271.06027	1.3
273.07544	37.6
275.05493	16.8
281.08032	0.5
285.07550	16.0
287.05481	24.3
288.01505	0.5
291.08615	19.4
297.07626	0.7
299.05472	4.9
303.08536	2.9
317.06372	0.5
393.09625	23.3
395.11121	3.7
405.09879	1.3
409.09134	6.5
411.10699	5.6
419.11392	0.6
423.11194	0.9
427.10272	2.6
439.10190	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.3141
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01842	1.6
55.05477	3.3
57.03401	2.6
57.07070	9.4
57.84293	0.7
67.05508	4.1
69.07078	3.4
69.07368	0.7
69.59049	1.8
69.59455	3.9
71.04966	0.8
76.00872	0.6
78.46043	0.7
79.05447	3.0
81.07057	8.4
83.04958	0.8
83.08601	1.6
85.06536	6.1
91.05466	2.0
93.07036	4.8
95.08607	5.2
97.06490	1.1
97.10154	0.6
98.21400	1.5
105.06991	2.1
107.04887	0.7
107.08596	5.0
109.06518	5.5
109.10114	2.2
109.31638	0.7
111.04382	1.4
111.08040	0.8
119.08548	2.9
121.06458	0.9
121.10117	2.6
123.08088	4.3
123.11655	1.8
125.05978	1.1
127.94500	0.7
130.65691	0.7
131.08528	0.9
133.06352	0.8
133.10088	2.7
135.08044	4.4
135.11639	2.0
137.05978	7.4
139.07515	1.4
145.10023	1.1
147.04362	2.6
147.11659	1.9
149.09587	1.3
149.13159	1.0
151.07539	4.0
151.11186	1.0
152.08296	3.4
159.11624	0.9
161.09628	1.1
161.13133	0.9
163.03905	0.8
165.09081	4.7
165.12741	3.4
166.09845	0.8
171.11613	1.0
175.11179	1.1
177.12659	1.7
177.60818	0.7
179.10666	1.6
179.14250	1.4
191.14246	1.1
193.12181	1.1
194.12984	3.2
203.17941	0.8
207.13800	3.4
256.38950	0.8
256.63965	0.7
263.19977	2.5
319.26297	5.2
322.23685	1.5
329.24768	1.0
335.25931	1.0
337.27271	1.2
347.25793	52.8
348.26215	1.1
349.56754	0.7
365.22894	1.1
365.26871	29.3
378.26559	1.1
390.30060	1.1
393.30038	0.9
396.27316	0.9
403.28473	1.3
406.28018	0.8
421.29468	100.0
422.29990	1.4
439.30536	22.8
440.21405	0.9
458.23407	0.8
476.23969	2.4
501.26010	5.9
519.27216	10.3
544.30011	0.8
562.31366	25.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.3223
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.2
55.01862	4.0
55.05512	18.7
56.96576	1.9
57.03435	7.2
59.04969	2.0
59.29910	1.4
61.10040	1.7
62.09018	1.4
67.05499	22.6
69.03430	8.9
69.07068	20.7
71.05003	3.0
71.59142	2.4
79.05501	19.2
81.02971	2.5
81.03419	27.8
81.07051	21.9
83.04974	6.2
83.08620	13.9
85.02901	7.9
91.05469	13.1
93.07043	15.4
95.04971	14.1
95.08606	9.3
97.02901	9.8
97.06496	2.4
97.10171	11.5
105.07031	11.1
107.04944	5.8
107.08601	8.8
109.02884	1.9
109.06529	3.7
109.10123	7.6
111.08105	3.8
117.07014	3.7
119.04888	2.2
119.08574	13.2
121.06483	3.3
121.10135	5.5
123.08073	4.1
123.11661	1.7
125.09620	7.1
129.06992	6.4
131.08569	8.6
133.06506	3.8
133.10120	7.0
135.08026	4.0
135.11688	4.8
137.09593	3.0
143.08588	2.7
145.06451	2.7
145.10121	6.2
147.04411	5.3
147.08026	5.8
147.11690	5.9
149.09647	3.4
157.10158	4.8
158.41367	1.6
159.15741	1.6
161.09665	3.2
163.03867	3.0
171.11641	1.9
175.11176	5.3
176.64124	1.6
177.12677	1.7
185.59492	1.8
189.11189	1.9
190.84923	1.9
193.12210	14.1
194.61046	1.5
195.88936	1.8
203.73186	1.4
203.80919	1.7
205.12250	2.0
211.13292	6.1
223.13315	13.6
227.12869	3.2
249.14917	3.7
267.15884	26.3
273.18481	8.3
285.10129	2.0
285.16998	14.9
291.19534	74.3
347.21945	2.2
365.23227	100.0
433.25729	2.2
459.27429	12.4
477.28232	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	562.3137
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48221	0.4
55.01833	1.6
55.05510	4.3
56.96571	2.1
57.03440	3.0
57.07069	3.0
67.05502	9.8
68.05788	0.5
69.03407	0.6
69.07064	9.4
69.51653	3.8
71.04945	1.9
71.08572	1.2
76.46440	0.5
79.05490	5.4
81.07054	12.4
83.04935	1.5
83.08619	2.8
85.02883	0.5
85.06539	3.1
91.05482	3.5
93.06490	0.7
93.07040	8.3
95.04943	1.3
95.08605	10.3
97.06513	3.3
97.10134	0.8
99.08089	0.6
105.07020	3.5
107.04910	0.7
107.08595	10.6
109.06507	5.1
109.10147	5.5
111.04454	2.2
111.08041	1.9
111.11694	0.5
112.71746	0.4
117.06963	0.6
119.08581	3.2
121.10150	3.2
123.08073	5.1
123.11660	1.9
124.22059	0.4
125.06013	2.2
125.09636	0.5
133.10098	2.9
135.08041	5.1
135.10828	0.5
135.11685	6.8
137.05011	0.5
137.05972	7.6
137.09605	0.8
137.13214	0.9
139.07521	0.6
145.10056	2.0
147.04446	2.4
147.11646	2.5
149.01234	0.9
149.09552	1.7
149.13193	1.5
151.07513	3.2
151.11124	1.0
152.08266	1.2
153.12740	3.6
159.11705	0.9
159.32350	0.4
161.09537	1.4
161.13225	1.0
163.11139	1.5
165.09152	3.6
165.12776	2.5
167.14310	1.2
175.11127	0.6
177.12799	2.5
177.16463	0.4
179.10625	1.2
179.14330	2.2
181.12308	2.6
193.12166	1.2
195.13757	1.1
198.05043	0.5
205.15822	0.7
207.13814	0.9
208.14748	0.8
208.16922	4.6
213.04393	0.6
216.06348	0.8
217.14160	0.6
219.17258	0.4
221.15396	1.3
221.18988	2.5
235.20517	1.7
239.02245	1.4
240.02588	0.6
241.02335	0.5
249.18398	1.3
253.14340	1.4
257.03271	2.5
257.17538	3.9
258.03705	1.9
259.03223	0.7
263.20053	2.1
277.21671	0.8
287.23785	0.6
291.19574	0.6
303.27017	0.6
305.21451	0.7
305.24710	19.7
319.22858	0.8
319.26321	10.4
329.24695	1.4
339.07474	1.2
344.60693	0.5
347.25787	53.0
348.26077	1.2
365.23160	1.1
365.26880	18.2
373.13052	0.5
374.13596	0.9
375.13702	1.8
390.30154	2.5
393.29721	1.1
398.15103	0.5
403.28470	1.2
421.29465	100.0
422.29675	1.8
439.30478	8.6
501.26202	2.8
519.27216	7.5
544.30170	0.9
557.45221	0.5
562.31372	16.6
581.37469	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.3139
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03913	0.5
55.01830	1.2
55.05510	2.8
57.03431	2.4
57.07073	9.6
63.97725	0.2
67.05503	3.9
69.03371	0.4
69.07064	3.6
69.30377	0.3
69.47256	0.2
70.13344	0.3
71.04942	0.8
71.29676	0.4
71.29993	0.4
72.74670	0.3
78.56684	0.3
79.05487	2.5
81.07053	7.3
83.04953	1.4
83.08616	1.7
85.06543	5.3
91.05473	2.2
93.07037	4.6
95.04947	0.6
95.08598	5.7
97.06519	1.6
97.10128	0.4
98.98418	0.6
105.07034	1.7
107.04884	0.5
107.08585	4.9
109.06511	5.0
109.10138	2.4
111.04380	1.1
111.08014	1.1
117.06988	0.5
119.08576	2.2
121.06450	0.6
121.10134	2.4
123.08053	3.8
123.11648	0.8
124.08799	0.5
125.05925	1.0
131.08522	0.8
133.10112	2.1
135.08028	4.3
135.11697	1.9
137.05968	7.9
137.09570	1.1
137.13243	0.6
138.06729	0.4
139.07465	1.2
145.10109	1.4
147.04330	1.1
147.11641	1.2
149.09569	1.1
149.13199	1.0
151.07532	3.4
151.11121	1.1
152.07277	0.3
152.08319	4.0
153.12697	0.7
157.10075	0.8
159.11635	0.6
161.09561	1.0
161.13237	1.1
163.11160	0.5
165.08006	0.4
165.09114	4.3
165.12746	3.4
171.11655	0.5
173.13304	0.4
175.11153	0.8
177.09053	0.7
177.12695	1.9
179.10664	1.4
179.14240	1.3
181.12291	0.6
189.12695	0.5
191.10579	0.4
191.14282	1.0
193.12184	1.3
194.13020	3.4
195.13719	0.3
203.14276	0.3
203.17882	0.3
206.58557	0.3
207.13812	5.5
216.06300	0.4
221.15334	0.5
231.17401	0.4
233.18915	0.5
235.16983	0.7
243.24434	0.3
245.18990	0.4
249.18466	0.8
261.18460	0.5
263.20016	2.5
276.23340	0.4
277.21445	0.5
291.19528	0.4
301.24863	0.5
304.22794	0.4
305.21326	0.4
305.24747	0.6
319.22757	0.2
319.26282	6.1
320.26645	0.4
322.23773	1.1
329.24774	0.8
335.25784	0.9
337.27310	0.8
347.25784	57.1
348.26138	1.2
365.26859	30.6
366.27243	0.8
378.26254	1.4
390.29956	1.1
393.30032	1.9
396.27484	0.6
403.28458	0.9
421.29462	100.0
422.29828	1.5
439.30536	23.5
458.22968	0.4
476.24124	2.4
501.26059	5.4
519.27161	10.9
544.30255	1.0
562.31366	25.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3785
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	2.2
53.48033	1.4
55.01864	7.2
55.05507	31.2
57.03440	8.5
57.07081	2.1
59.04990	2.2
65.03918	1.9
67.05502	50.6
69.03424	2.8
69.07064	13.8
71.04987	3.6
71.60621	3.5
79.05058	2.6
79.05490	35.0
81.03427	8.5
81.07056	50.4
83.04974	10.8
83.08609	17.3
85.02885	2.2
85.06570	4.4
91.05475	28.3
93.07042	45.9
95.04969	11.8
95.08599	30.0
95.09163	2.5
97.02891	1.6
97.06542	6.1
97.10166	26.3
99.04416	2.9
99.08088	1.8
101.69054	1.6
103.75571	1.5
105.07022	27.9
107.04971	5.9
107.08595	31.0
109.06541	4.1
109.10169	17.3
111.04433	6.7
111.08092	5.1
117.07015	15.4
119.08575	24.5
119.22210	1.7
120.96690	3.4
121.06561	2.5
121.10150	19.4
123.08051	4.8
123.11692	5.7
125.09622	19.1
129.06972	8.4
131.08565	21.9
133.06514	1.9
133.10127	16.9
135.08034	4.0
135.11676	15.5
137.13292	2.3
143.08537	8.4
145.06554	2.4
145.10129	26.5
147.08005	2.9
147.11691	10.1
149.09631	4.1
149.13281	5.3
153.09093	2.0
153.12767	5.8
155.08562	5.7
157.10120	9.4
159.11664	10.9
160.03592	2.0
161.13264	4.8
163.11176	12.7
163.14874	4.2
169.10204	5.0
171.10315	2.2
171.11731	5.9
173.09619	3.4
173.12000	1.8
173.13208	10.2
175.11162	2.5
175.14874	2.1
181.10202	2.8
181.12265	7.6
183.11703	4.7
185.13278	6.7
185.38828	1.6
187.14854	6.5
189.11261	10.1
189.12692	1.8
191.10689	3.8
191.27884	1.6
193.12250	2.7
195.11617	2.7
199.14879	3.9
201.16385	3.1
209.11729	3.3
209.13474	2.8
209.86151	1.4
211.13258	2.3
225.16493	2.2
227.12767	29.1
227.14853	1.8
241.19582	1.7
243.16005	2.0
243.21103	4.1
245.13887	2.5
259.20682	3.4
261.22141	12.6
267.15903	2.9
277.21622	2.5
281.22736	1.8
283.15335	16.1
283.20511	3.2
299.23651	14.2
301.21719	4.4
317.24707	8.7
319.22760	1.5
333.24289	3.4
335.25760	11.1
345.75021	1.6
353.24240	1.9
357.13724	1.5
399.22290	1.7
423.32901	1.9
433.31161	6.7
451.31952	10.9
459.34445	2.0
469.33191	12.7
487.34177	9.4
515.37189	2.0
525.35773	18.9
543.36774	100.0
561.37964	55.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3783
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	3.5
53.18663	1.9
55.01857	7.4
55.05273	2.1
55.05511	30.0
57.03421	6.6
57.07061	2.7
61.14410	2.0
67.05502	46.2
69.03436	3.9
69.07063	15.7
69.40811	2.0
71.04990	4.6
71.59807	1.8
79.05489	37.1
80.02237	1.9
81.03407	9.4
81.07052	59.9
83.04964	9.6
83.08620	18.7
83.59550	2.0
85.02902	2.6
85.06519	3.7
87.52357	2.2
91.05482	26.8
93.07043	40.6
95.04969	11.1
95.08610	35.6
97.02870	2.0
97.06516	6.7
97.10167	20.0
105.07020	26.6
107.04939	6.1
107.08592	31.7
109.06505	4.4
109.10163	21.0
111.04440	7.3
111.08042	2.4
117.01781	2.1
117.07000	15.2
119.08566	26.2
121.03826	1.9
121.06481	4.5
121.10155	18.4
123.08026	5.0
123.11671	5.5
125.09622	19.1
125.68488	2.0
128.06239	2.6
129.07002	9.4
131.08563	21.4
133.06348	2.2
133.10130	17.7
135.08063	5.9
135.11688	19.7
137.13232	3.9
142.07718	2.0
143.08540	6.4
145.06473	3.8
145.10103	24.4
147.04428	4.6
147.08054	2.7
147.11708	10.2
149.09608	3.1
149.13249	5.7
153.12752	3.5
155.08521	5.9
157.10098	9.5
159.11729	14.9
161.13205	8.4
163.11169	10.4
163.14859	3.4
165.32475	2.1
169.10162	5.9
171.11636	8.7
173.09724	2.4
173.13252	13.1
175.14760	3.9
177.12640	2.7
181.12212	3.6
182.59360	2.1
183.11678	7.0
185.13226	5.0
187.14841	3.4
189.11203	12.0
190.96257	3.9
191.10666	5.4
193.12178	2.5
195.11716	3.2
197.13277	3.5
199.14832	4.4
201.16313	2.9
209.11699	5.6
211.14925	2.6
211.26357	2.2
227.12775	36.2
245.13928	3.0
259.20523	4.5
261.22073	7.7
267.15845	3.3
269.61719	2.1
281.22629	2.4
283.15335	15.8
299.23618	11.0
301.21329	4.1
315.23053	2.4
317.24738	8.1
333.24414	3.5
335.25916	10.4
433.30911	7.1
451.32233	12.2
469.33221	10.4
487.34326	5.1
506.87805	2.3
515.36957	3.5
525.35675	21.2
543.36829	100.0
561.38086	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	561.3783
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.1
55.01875	6.6
55.05507	34.2
57.03416	5.7
57.07062	3.2
65.03910	3.2
65.65241	1.5
67.05499	49.9
69.03420	4.1
69.07063	15.1
69.49426	3.8
69.49842	7.3
71.04974	4.6
78.19778	1.1
79.05488	33.6
81.03407	6.7
81.07051	48.4
83.04968	8.5
83.08613	16.8
85.02903	1.7
85.06535	2.2
85.62033	1.4
91.05471	26.7
93.06468	3.2
93.07036	39.5
95.04959	10.9
95.08598	30.5
97.06483	3.8
97.10164	20.1
99.04422	1.7
99.21925	1.4
100.90435	1.3
101.60961	1.3
103.05409	1.6
105.06381	2.5
105.07024	28.8
107.04960	3.8
107.08588	30.4
109.06506	4.2
109.10145	15.8
111.04433	5.4
111.08057	6.6
117.07013	14.8
119.08569	24.7
121.06507	3.0
121.10143	16.8
123.08038	2.9
123.11677	6.9
125.09618	19.4
128.06224	1.8
129.06989	8.4
130.07747	1.6
131.08554	22.3
133.06480	1.4
133.10130	18.4
135.08034	5.7
135.11687	14.2
137.09587	2.1
137.13133	2.0
141.06960	1.9
143.08578	9.6
145.06453	3.3
145.10132	20.6
147.08049	2.2
147.11681	12.1
149.13237	7.5
153.09079	2.0
153.12750	5.4
155.08543	6.0
157.10109	7.4
159.07976	1.7
159.11694	13.8
161.09560	1.9
161.13261	5.9
163.11159	10.0
163.14850	3.3
169.10127	4.6
171.11627	7.0
173.09599	3.0
173.13239	11.3
175.11113	2.4
175.14825	2.8
177.12761	2.4
181.10074	2.3
181.12231	6.3
183.11732	4.7
185.09702	1.5
185.13278	4.9
187.11237	1.7
187.14777	6.8
189.11250	11.0
191.10590	4.7
193.12259	3.2
197.13208	4.3
199.11121	1.5
199.13060	1.8
199.14801	3.0
201.16426	2.8
209.11674	3.6
209.13391	2.2
211.13109	2.7
213.16293	1.8
226.14307	1.4
227.12737	23.7
227.14595	2.0
233.15303	1.6
241.19620	3.0
243.21072	2.0
245.13831	1.6
255.20987	1.6
259.20615	4.1
261.22153	11.5
267.16016	3.2
273.22028	2.9
275.20059	2.2
277.21649	2.1
279.23398	1.6
281.22491	1.9
283.15384	13.8
297.22052	2.1
299.23618	18.7
301.21533	4.7
315.22830	2.2
317.24768	11.8
325.21417	1.8
333.24246	5.4
335.25800	11.4
351.25339	1.4
371.41412	1.5
415.29825	2.5
433.30978	6.8
441.33868	2.7
451.32031	11.5
469.33176	14.1
487.34314	11.1
499.33813	2.4
515.37122	5.2
525.35730	21.2
543.36768	100.0
561.38031	63.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3785
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06208	1.5
53.03946	3.3
55.01863	3.7
55.05508	19.1
57.03436	11.2
57.07072	2.0
65.03924	2.4
67.05502	60.8
69.07064	13.7
69.94851	6.6
71.04980	4.2
76.75110	1.4
76.82288	1.5
79.05489	42.5
79.45259	1.4
81.03406	3.0
81.07053	60.5
83.04984	3.9
83.08623	12.5
85.03236	1.4
85.06524	2.6
86.77468	1.3
91.05478	22.7
93.07041	63.2
95.04948	9.0
95.08604	68.7
97.02884	3.1
97.06513	5.8
97.10139	2.0
99.04454	3.5
105.07030	17.1
107.04974	9.8
107.08590	48.4
109.06541	2.8
109.10155	16.5
117.06995	12.6
119.08588	18.1
121.06520	7.9
121.10120	23.8
123.11716	7.4
125.05977	1.8
130.07755	2.9
131.08578	10.9
133.10104	7.1
135.08011	2.1
135.11685	54.1
137.13272	2.1
143.08527	2.8
145.10117	32.0
147.11617	7.0
149.13287	7.1
159.11694	4.7
161.13286	3.8
163.09842	2.8
163.11179	52.0
163.14819	3.0
173.13275	4.7
175.14780	2.3
181.12231	9.2
187.14799	3.1
193.26613	1.7
227.12772	100.0
243.21123	5.9
257.03162	1.6
261.22110	20.8
277.21634	1.6
283.15387	46.6
317.24796	7.5
335.25781	97.7
349.85349	1.4
543.36829	57.7
561.38458	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3787
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.1
55.01874	4.6
55.05260	1.2
55.05509	16.2
55.05759	1.9
57.03430	7.4
57.07063	2.2
65.03922	1.9
67.05501	53.3
69.03436	1.3
69.07063	11.9
69.93113	5.4
71.04987	3.3
73.02927	1.7
79.05489	46.9
79.66982	0.8
81.03412	2.8
81.07054	54.0
83.04980	3.2
83.08611	9.2
85.06525	1.2
85.10143	0.8
91.04966	1.2
91.05482	16.8
93.07038	61.0
95.04976	8.7
95.08603	63.2
97.02875	3.8
97.06519	3.3
97.10164	4.2
98.21494	1.3
99.04457	4.3
103.05470	1.2
105.07024	17.2
106.19102	1.0
107.04956	8.4
107.07860	2.1
107.08589	40.3
109.06528	2.5
109.10148	14.4
111.04435	1.5
111.08091	2.0
111.97091	0.9
112.40270	0.9
117.07005	14.2
119.08581	17.7
121.06511	6.3
121.10140	21.9
123.08119	1.7
123.11681	5.7
125.05984	3.8
129.06958	1.5
130.07779	2.1
131.08556	7.4
133.10146	11.4
135.08031	2.1
135.11684	52.2
137.09593	1.2
137.13225	2.1
137.20190	1.0
139.07555	2.4
139.11147	0.9
143.08574	1.5
145.10115	32.9
147.04391	1.1
147.11705	3.2
149.13306	5.5
155.08569	1.2
157.10100	1.8
159.11688	3.6
161.13261	3.0
163.11172	55.6
163.14819	4.1
173.13200	4.4
175.14833	2.1
181.12230	11.3
187.14824	2.8
209.11760	1.3
227.12766	100.0
243.21063	6.4
261.22076	20.7
279.23157	2.2
283.15378	54.6
317.24753	8.5
335.25781	64.6
431.34479	1.0
469.32779	1.3
487.34158	1.3
543.36761	42.5
544.37201	1.0
561.38385	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	561.1943
Annotation	Diandraflavone
Peak:m/z	Relative Intensity
67.35336	0.3
69.11762	0.3
69.96710	1.8
71.92485	0.3
76.34921	0.3
83.01102	0.4
85.02910	0.5
86.56812	0.2
91.05463	1.1
95.01115	0.8
96.01887	0.4
103.05444	0.3
107.04951	0.4
112.01378	0.5
113.02119	1.1
119.04929	1.6
131.04863	0.7
137.05994	1.2
140.68031	0.3
147.04416	0.3
151.07556	0.7
163.03947	0.5
168.80740	0.3
185.04222	1.6
187.87411	0.3
201.03694	0.8
202.06004	4.5
203.05249	7.3
283.48825	0.3
351.12076	1.2
381.12949	0.7
399.14246	0.6
428.18866	0.3
513.17383	0.8
561.19421	100.0
562.19659	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.2151
Annotation	Roritoxin B
Peak:m/z	Relative Intensity
55.01874	0.7
55.05511	0.9
57.03462	0.5
57.71542	0.6
66.84411	0.6
67.05495	1.5
69.03416	0.8
69.07059	1.2
71.59612	0.7
79.05489	0.9
81.03410	1.7
81.07059	2.7
83.01106	0.8
85.02901	2.2
85.06526	0.8
91.05473	1.5
93.07042	1.1
95.01082	1.2
95.04986	0.8
95.08613	1.5
105.07034	1.6
107.08611	1.0
109.10178	1.9
112.01383	1.0
113.02130	2.8
119.04935	1.2
121.06532	1.0
121.10101	1.0
127.03905	1.1
131.04970	1.0
131.08536	0.9
135.11658	1.0
145.10158	0.6
145.43385	0.6
147.04431	5.2
147.11629	0.6
159.11862	0.7
163.03925	0.8
163.07777	0.8
167.07133	0.7
176.04497	1.4
185.04234	2.9
185.05736	1.1
201.05281	2.2
205.53479	0.8
216.07570	15.5
351.10602	0.6
356.93573	0.7
365.11914	4.2
383.11392	0.7
391.13739	1.0
529.20325	1.1
559.21497	100.0
560.21564	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	559.3993
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56325	3.1
53.03941	6.5
55.05509	23.6
57.03432	10.2
57.25756	3.6
65.03959	4.4
67.05131	4.1
67.05499	81.9
69.07052	20.8
71.61057	5.9
71.61443	4.2
73.69086	3.2
76.79629	3.5
77.13268	3.0
77.62634	3.6
79.05490	85.0
79.05955	4.4
81.03413	7.1
81.07058	76.5
83.04985	12.4
83.08618	5.3
88.07627	3.8
91.05483	58.0
93.07040	88.7
95.04975	18.3
95.08036	6.0
95.08601	56.0
97.06522	5.8
97.10171	3.9
105.06340	6.0
105.07010	48.5
107.05014	3.6
107.08597	32.0
109.06524	5.5
109.10159	17.2
117.07014	12.5
119.08584	26.5
121.10138	16.1
123.08041	4.1
123.11715	4.2
125.86833	3.5
129.06979	17.7
131.08565	12.6
133.10132	14.4
135.11674	8.9
141.01805	3.2
143.08554	10.8
145.10126	11.7
147.11687	31.9
149.13232	7.9
156.18823	3.8
159.11671	7.3
161.13255	11.9
165.37755	3.4
171.11664	25.3
173.13266	4.4
176.92668	3.7
189.12744	9.3
207.13785	24.0
256.26385	3.7
261.22217	7.3
281.17496	36.6
288.60022	4.0
335.25833	68.3
541.38892	100.0
559.40253	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.2911
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18050	1.0
53.03943	3.9
55.01880	2.6
55.05508	5.7
57.03425	2.7
60.36547	1.1
61.02920	1.8
65.03931	1.9
67.05494	11.8
69.03425	1.3
69.07062	2.5
70.02947	6.6
71.60884	1.9
74.21560	1.1
79.05499	20.0
80.04993	1.7
81.03425	8.4
81.06576	2.6
81.07052	46.8
83.04962	4.7
83.08575	2.6
85.02913	2.5
85.06496	1.2
91.05477	8.0
93.07043	11.3
95.04979	4.3
95.08606	7.9
96.04489	1.3
97.10210	1.3
104.12931	1.1
105.07040	6.9
105.25403	1.1
107.04943	11.1
107.08598	6.9
108.04452	1.4
108.08082	2.5
109.06506	19.5
109.10126	3.3
110.05999	1.2
110.42481	1.1
115.05452	1.5
116.43491	1.2
117.06999	4.5
119.04955	1.2
119.08575	3.2
120.08081	1.3
121.06493	2.1
121.10136	1.7
123.08081	3.7
125.09632	1.3
126.05542	5.9
127.03944	2.1
129.06941	2.0
131.08583	5.6
133.10129	3.2
134.06041	1.6
134.09634	2.4
135.08089	2.4
135.11671	3.3
136.07555	2.2
141.06902	1.3
143.08501	1.4
145.06488	2.6
145.70563	1.1
146.05998	2.9
147.04388	2.0
148.07518	2.0
149.13177	2.4
152.10646	5.8
159.08028	1.5
159.11682	4.6
161.08372	3.5
162.09119	4.2
169.10127	2.0
174.09167	1.9
176.10750	1.3
177.12712	1.8
185.13480	1.2
187.11183	4.5
222.14864	1.9
258.18576	2.3
276.19638	1.1
286.17978	6.9
304.19037	13.8
322.20139	2.3
360.21613	5.0
378.22739	100.0
379.23166	2.8
469.91925	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05428	1.3
55.01872	1.8
55.75694	1.6
69.03410	2.0
69.58596	13.3
79.05483	4.9
85.02895	4.5
89.39793	1.8
91.05473	22.2
94.04189	1.9
95.04956	3.8
97.02906	1.8
103.05457	20.3
105.07027	9.9
107.04956	27.6
109.06521	2.1
115.05460	2.4
117.07063	2.2
119.04939	21.4
121.06501	7.0
122.03645	2.4
122.07314	1.7
123.26199	1.5
123.28998	1.8
127.03906	1.7
128.06265	2.6
129.07011	8.0
131.04942	21.3
131.08553	2.1
133.06503	6.6
135.08040	10.3
135.77470	1.5
136.49437	1.8
137.05980	97.5
144.05634	1.8
145.06473	2.6
146.07263	3.1
147.04417	13.3
148.05185	2.0
149.05965	5.9
151.07545	52.9
157.06480	5.2
161.05984	100.0
161.09593	21.5
162.06744	8.8
163.07539	61.8
165.09103	2.3
167.08524	3.7
174.06718	5.1
175.07552	14.0
177.06950	1.7
177.09135	8.8
179.07025	5.7
181.08598	12.1
189.09105	62.9
189.10738	3.5
193.06546	3.9
193.10129	2.9
195.08110	8.9
195.09802	1.7
201.09109	1.8
207.10161	95.3
219.10240	9.4
221.09688	3.7
221.11743	1.6
223.07581	5.5
225.09145	4.1
227.10641	13.1
233.09564	1.8
237.09091	2.3
239.10703	1.9
249.09082	2.2
252.07283	1.7
253.08615	6.7
253.12260	5.9
255.10167	12.6
265.08478	2.5
267.09940	2.8
269.08124	3.6
269.11502	1.6
281.11646	4.5
285.11264	9.4
287.12811	42.9
293.11685	2.7
297.11362	3.3
299.12778	6.0
301.14182	2.0
311.12827	15.6
313.14343	35.0
325.14346	3.4
331.15399	84.7
343.15393	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	557.602
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	23.0
57.06832	2.5
57.07079	36.1
67.05506	37.7
69.07065	29.5
71.08631	36.8
71.18055	2.4
71.18373	3.3
79.05479	4.1
81.06585	3.1
81.07056	75.2
83.08612	37.6
85.10183	17.4
95.08608	100.0
97.10168	35.9
109.10157	69.8
111.11716	26.3
113.13255	2.9
123.11704	27.0
125.13264	13.7
137.13232	11.5
139.14803	4.3
151.14799	7.6
153.16319	2.4
165.16348	9.6
170.88194	2.3
179.17969	4.5
235.92590	2.7
269.70511	3.1
277.28821	2.6
300.28799	3.3
305.32141	3.0
319.33722	3.4
361.38208	4.8
413.94965	2.4
447.89041	2.3
557.52979	14.0
557.60034	63.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	2.4
57.03439	2.1
67.96455	2.0
69.03428	6.4
69.31061	21.4
75.41847	1.7
79.05485	4.7
81.03412	3.9
85.02890	13.4
91.05474	15.2
95.04968	2.3
97.02917	4.1
103.05473	14.0
105.07052	10.6
107.04941	26.2
107.05505	2.1
115.05436	2.5
117.07009	2.7
119.04955	18.3
121.06515	7.3
122.03679	3.1
127.03870	3.8
129.07004	6.5
131.04921	25.4
133.02864	6.0
133.06509	11.4
135.04439	2.4
135.08047	7.8
137.05972	100.0
145.05049	2.0
145.06447	2.7
147.04401	18.2
148.05177	2.7
149.05968	12.9
151.07538	48.3
151.08644	3.9
156.92889	2.1
157.06508	3.2
161.05980	83.6
161.09581	18.0
162.06757	8.4
163.07539	64.9
165.05534	3.6
165.06912	1.9
165.09138	5.3
167.08405	2.6
174.06779	5.7
175.07562	13.3
177.05504	5.3
177.09093	11.5
178.84061	1.9
179.07010	11.6
181.08629	13.3
189.09106	58.0
191.07039	2.8
195.08057	3.9
195.10365	1.9
203.07082	4.0
207.10170	84.1
207.24759	2.1
209.09718	2.3
219.10196	9.0
221.06015	3.8
223.07483	3.3
227.10739	8.8
227.92111	2.0
237.09026	2.3
253.08643	4.7
253.12344	5.4
255.10204	6.8
265.08527	3.8
273.11270	2.6
281.11740	4.8
285.11185	7.3
287.12759	26.5
297.11325	2.7
299.12833	4.1
311.12823	11.6
313.14252	25.0
325.14545	2.1
331.15393	72.5
342.12881	2.1
343.15305	12.9
469.18549	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2212
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.6
55.01861	0.6
55.05486	1.1
67.05492	1.6
69.03424	0.9
69.07050	1.7
70.06559	0.7
71.04996	1.1
71.24120	1.0
79.05473	2.1
81.03403	2.4
81.07044	8.0
83.04968	1.2
83.52960	0.6
85.02904	3.0
89.03903	1.6
91.05469	2.5
93.07038	1.1
95.04963	1.8
95.08596	2.2
97.02888	1.5
97.06511	2.6
99.04453	0.8
105.07018	1.6
107.04975	1.0
107.08620	1.1
109.06491	0.6
109.10171	0.9
110.16351	0.6
117.03420	1.4
119.01910	2.2
119.04926	1.6
119.08598	0.7
121.06493	1.3
123.04379	1.0
127.03905	2.4
131.08583	0.8
133.10121	0.9
134.60327	0.6
135.04388	4.4
137.05988	3.9
137.09586	0.7
143.01947	0.7
145.02803	3.0
145.10121	1.0
147.04388	3.6
151.07526	0.6
153.01855	0.9
153.05447	1.0
157.06502	0.7
159.11684	0.8
161.02969	2.0
161.09644	1.2
163.03909	26.2
163.11200	1.2
165.05502	1.3
165.09120	2.2
167.07053	0.7
169.10088	0.7
173.06024	1.3
175.04530	0.9
175.07292	0.7
181.05049	1.0
185.02991	1.6
186.79198	0.6
187.11217	1.0
191.07076	2.4
197.09637	0.9
203.03957	3.3
207.06445	1.4
207.10107	0.9
215.04025	1.5
215.10698	3.9
229.01820	1.2
233.05035	0.7
233.11763	6.0
241.01982	0.7
241.08556	0.8
245.06348	1.4
247.02946	0.9
259.02863	0.7
261.11368	0.6
275.06302	1.7
289.05270	6.7
289.07819	0.7
300.14398	0.6
301.04056	1.5
317.08389	5.4
335.09457	2.7
341.13434	0.7
343.05234	0.7
359.09421	1.6
359.14771	0.6
363.50009	0.6
377.10583	13.1
377.15921	2.5
381.17609	1.9
395.14865	0.9
403.08530	2.4
421.09512	33.7
425.17831	1.4
481.00702	0.7
513.22974	10.7
557.22021	100.0
557.32117	5.0
558.22150	1.9
584.50818	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	0.9
53.03941	1.6
55.01860	3.1
63.78153	0.7
65.03930	2.8
67.05506	0.8
69.03417	1.0
70.91346	1.5
70.91720	1.2
77.03952	0.7
79.05491	4.5
80.52556	0.7
81.03367	0.9
81.07034	1.5
82.81914	0.7
85.02905	4.0
91.05481	37.8
93.07024	2.2
94.04198	2.0
95.04961	3.9
97.02885	1.0
100.49976	0.7
102.04649	1.0
102.28867	0.8
102.76332	0.7
103.05470	13.0
105.03390	6.7
105.07035	11.9
107.04954	5.4
108.05760	0.8
109.06529	9.0
115.05468	2.5
117.06990	2.0
118.04192	0.8
119.04942	53.0
119.08595	1.4
121.06516	5.7
122.03651	5.1
123.08041	4.5
128.06232	1.0
129.06993	1.7
130.04172	0.8
131.04918	18.5
132.05725	1.3
133.02838	1.2
133.06496	8.5
135.04416	0.9
135.08054	2.0
137.05975	100.0
138.06316	0.9
139.07571	0.7
143.04980	0.8
144.05708	0.8
145.06474	2.2
146.07269	0.9
147.04405	20.5
147.08037	2.6
149.05981	6.6
150.06737	1.6
151.07544	21.8
157.06500	1.1
159.08063	3.1
160.05183	2.0
161.05980	30.5
162.06772	9.5
163.07545	10.8
165.05467	1.9
172.05148	1.3
173.06020	1.0
175.07550	28.0
175.09013	1.7
177.09106	1.1
178.07794	1.2
179.07045	21.5
187.07552	12.7
190.06305	1.4
191.08549	3.2
193.08612	7.2
199.07651	1.0
203.08582	2.5
205.06616	0.6
205.08598	15.3
207.08026	1.2
217.08559	2.4
218.07272	1.1
219.08038	5.6
226.09579	0.8
231.08090	3.4
235.07637	1.1
235.09596	4.9
236.08284	0.9
237.09131	1.4
247.07507	4.4
248.08389	1.0
251.10706	4.3
255.40770	0.8
259.07550	1.5
263.10617	1.1
265.08582	1.8
279.10138	7.8
291.10056	5.2
296.10638	1.7
297.11200	2.1
309.11234	11.2
311.12750	12.5
313.14325	2.0
323.12717	6.0
325.14435	1.0
327.12207	0.9
329.13794	5.5
341.13892	9.8
359.14771	1.6
568.94666	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.1197
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96540	2.2
61.48045	1.1
62.04049	1.2
65.17637	1.2
66.47272	1.3
69.03421	2.4
71.47317	2.7
73.02896	1.7
74.53920	1.2
82.99887	1.5
84.50999	1.4
85.02882	4.0
88.68137	1.3
93.45306	1.3
97.02891	3.2
98.97562	2.3
101.00868	6.3
116.98645	1.9
119.01909	35.9
119.10857	1.4
127.02412	2.4
127.03854	2.2
128.98630	1.4
131.01900	12.7
135.84991	1.3
137.02899	9.3
142.03532	1.7
142.38101	1.2
143.01889	18.0
145.03456	29.8
147.05061	1.6
149.02985	3.9
151.04601	1.6
155.01906	12.5
157.03465	7.8
159.05022	8.9
161.01515	2.1
161.02948	35.2
163.04407	6.7
165.91130	1.3
167.01845	8.1
168.05104	1.7
169.03455	25.6
171.01364	2.0
171.05037	12.6
173.02937	26.9
175.04547	3.5
179.01924	2.6
181.03487	4.0
183.04980	1.7
184.04643	2.2
185.02939	43.9
187.04510	47.2
189.00734	2.7
189.02431	6.1
189.06038	3.3
191.02286	1.6
191.03946	2.2
192.23900	1.3
196.04518	2.1
197.02927	27.2
197.18704	1.6
199.04503	8.3
201.00784	1.4
201.06102	2.8
203.02257	2.8
203.03967	16.8
207.03441	2.3
208.04704	2.2
209.02939	1.9
210.06200	2.1
211.04530	6.9
213.02499	3.6
215.04012	22.8
219.01703	1.8
220.04465	1.5
221.02974	1.9
221.05098	3.1
223.04562	3.0
225.02425	2.5
227.03978	9.4
229.05595	4.7
231.03505	11.1
233.05130	2.6
235.04619	2.0
238.05583	2.8
239.04126	2.1
240.31056	1.3
245.05058	100.0
252.55045	1.4
253.05556	1.6
257.01672	1.3
257.05081	5.4
261.02966	1.5
263.06104	16.5
271.06680	4.9
273.04398	1.9
275.02570	14.4
275.06076	82.4
284.06485	1.5
286.07837	1.7
287.02524	7.6
287.06091	6.5
293.03558	7.6
293.07217	12.7
298.83322	1.6
302.69443	1.4
305.03568	7.1
305.07166	25.0
315.05453	1.6
316.05219	1.6
316.08667	3.5
317.07001	3.4
333.06650	2.1
335.04559	6.4
335.08221	14.5
347.08310	1.7
359.04495	6.0
365.09317	17.7
370.07736	2.1
377.05469	17.6
377.09399	2.2
395.06580	26.1
437.08917	1.5
485.47043	1.3
539.11316	2.5
557.11548	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	555.2224
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13803	1.1
52.65270	1.2
55.01856	3.2
57.51259	1.3
57.76633	1.3
70.06563	1.9
71.61552	1.3
73.26582	1.2
73.67043	1.4
79.05455	2.1
89.33233	1.3
91.05473	10.6
91.42914	1.3
94.04171	2.1
95.04946	4.1
103.05453	5.4
105.07011	5.4
107.04963	12.0
109.06506	1.8
115.05448	5.0
117.06973	1.4
119.04935	10.0
121.06481	4.7
122.03658	2.1
122.72647	1.3
123.04451	1.2
128.06190	2.2
129.06931	1.7
131.04930	10.9
133.02826	4.7
133.06482	5.0
135.04376	1.4
137.05980	53.2
143.04878	3.7
144.05656	1.4
145.06458	3.9
146.03595	1.7
147.04398	9.9
147.08026	1.8
149.05969	5.2
151.03911	3.1
151.07503	3.2
153.07025	2.0
155.04973	1.7
159.04378	1.8
160.05168	2.9
161.05986	16.9
162.06763	1.9
163.03879	1.8
163.07547	2.5
165.05544	1.7
165.06906	3.4
166.07791	2.4
167.07076	1.6
167.08440	1.8
174.06767	2.7
175.07552	9.3
177.05467	7.2
177.06920	2.5
178.07758	10.2
179.07111	2.1
179.08553	7.3
181.06517	6.1
185.05988	5.2
187.07507	10.1
189.05469	1.6
189.06987	7.2
189.08871	2.6
190.07753	3.5
191.07010	2.3
191.08565	7.0
193.06544	2.1
193.10156	2.8
194.07245	4.7
195.08063	7.6
196.08833	2.6
199.07489	4.4
202.07726	7.3
203.08540	8.3
205.06493	7.1
206.07216	12.9
207.06645	1.8
207.08051	10.6
208.08798	3.2
209.01285	1.5
209.05908	3.0
209.09575	3.0
215.06882	1.6
215.08667	3.0
217.06502	3.9
218.07291	7.6
219.08060	12.6
220.08859	3.7
221.05949	3.6
221.09595	13.2
222.06721	4.8
223.07579	6.2
224.08241	8.2
225.09102	2.8
231.07994	9.6
232.08752	3.5
233.05980	3.3
233.07986	3.6
233.09877	2.7
234.06606	12.9
234.08350	2.3
235.07549	8.3
236.08258	4.0
237.05466	1.7
237.09050	12.2
238.09859	4.8
239.06815	1.3
239.10649	5.7
245.05902	3.4
246.06639	1.9
247.07570	9.4
248.08386	6.2
249.09108	24.8
250.06157	1.4
250.10010	2.7
251.07098	6.0
251.10643	3.1
252.07771	4.6
253.08606	2.0
259.07449	2.1
261.09119	5.2
262.06320	2.2
263.07071	2.4
263.10474	3.1
264.07745	2.3
265.08594	12.9
266.09381	13.5
267.10126	14.3
276.07733	2.9
277.08664	15.2
278.09317	4.9
279.10162	10.9
280.10995	3.1
281.11700	27.2
281.14813	1.7
285.11215	4.7
289.08615	4.1
291.10168	7.7
293.11700	5.3
294.08939	2.5
294.12375	1.4
295.09668	26.3
295.12906	1.2
296.10248	1.3
297.11212	16.5
299.12698	4.9
303.10046	1.5
306.08862	2.3
307.09634	2.2
308.10355	2.4
309.11212	73.8
310.11917	3.1
311.12769	15.7
315.12366	2.3
321.11218	20.8
323.12766	8.3
327.12238	5.7
335.12747	3.9
339.12268	100.0
341.13644	3.1
365.13864	2.8
439.15344	1.8
441.09506	1.2
459.18188	6.1
464.27332	1.3
469.16449	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2223
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	2.0
64.34521	0.9
65.03921	1.1
65.55241	0.9
71.05006	1.2
74.15861	0.8
77.21098	0.7
79.74461	0.9
81.07018	1.3
85.02886	2.3
91.05479	10.9
93.07052	1.1
94.04166	1.6
95.04967	3.6
98.21532	1.8
103.05471	3.8
105.07039	5.1
107.04950	11.2
107.08588	1.0
109.06508	2.3
115.05424	3.9
119.04939	8.3
121.06499	5.6
122.03621	4.1
123.04391	1.0
129.07010	1.5
131.04909	11.9
133.02841	3.7
133.06465	3.7
135.04420	2.1
137.05966	53.0
143.04907	3.4
144.05688	1.4
145.06474	3.1
146.03641	1.7
147.04407	10.7
147.08020	1.8
149.06015	5.0
149.06967	0.9
151.03876	2.3
151.07539	2.0
153.06950	1.0
155.04874	2.3
157.06474	1.8
159.04424	1.6
160.05171	2.7
161.05981	14.6
163.03896	2.8
163.07553	3.3
165.05576	1.4
165.07007	4.0
165.27823	0.9
166.07913	1.9
167.08481	1.4
173.05916	0.9
174.06619	1.2
175.07562	8.8
177.05466	5.5
177.06908	1.8
178.07774	9.1
179.07022	3.4
179.08562	7.1
181.06482	4.3
182.07295	1.3
183.08107	1.2
185.05988	7.0
187.07539	8.0
189.05470	1.3
189.06935	4.6
190.07733	5.5
191.06955	2.1
191.08557	8.3
193.06502	1.9
193.10173	2.5
194.07295	6.1
195.08012	6.3
196.08813	3.7
199.07504	5.5
202.07791	5.6
203.08574	8.8
205.06499	6.5
205.08452	1.7
206.07257	9.6
207.06488	1.3
207.08070	12.3
208.08807	3.5
209.05984	2.0
209.09669	3.3
211.07597	2.6
213.08939	0.9
215.08548	2.5
217.06471	4.8
217.08434	1.7
218.07231	7.3
219.08054	14.1
220.05292	1.1
220.08833	4.7
221.06020	2.9
221.09621	14.7
222.06758	2.6
222.10278	0.8
223.07585	6.0
224.08328	7.7
225.08972	2.1
231.08011	9.3
232.08789	2.5
233.06100	4.3
233.09662	3.4
234.06686	10.4
234.08591	1.3
235.07503	8.8
235.11168	1.0
236.08356	3.7
237.09103	9.3
238.09833	4.8
239.10677	2.8
243.07922	1.1
246.06776	2.3
247.07527	8.7
248.08307	5.8
249.09105	24.6
250.06302	1.6
250.09946	4.4
251.07069	4.5
251.10658	5.7
252.07729	4.3
253.08598	2.7
259.07562	2.5
260.08340	2.0
260.24182	1.1
261.09012	6.2
262.06229	2.9
262.09561	1.4
263.06979	3.7
263.10544	4.5
264.07895	4.4
265.08554	12.6
266.09302	9.6
267.10135	13.6
276.07813	2.4
277.08557	13.1
278.09406	3.8
279.10165	12.5
280.07693	1.1
280.10864	2.9
281.08475	1.9
281.11694	23.8
283.09656	1.3
285.11215	2.8
289.08749	4.7
290.09280	2.5
291.10117	4.9
293.11655	4.9
294.08746	1.9
295.09680	24.6
295.12930	1.8
296.10333	2.0
297.11154	14.8
299.12726	5.6
306.08978	1.1
306.12460	1.1
307.09720	1.4
308.10370	2.5
309.11185	69.9
310.11765	4.6
311.12759	9.6
315.12366	2.5
321.11212	23.2
323.12878	8.0
327.12274	5.3
335.12762	5.2
339.12250	100.0
340.12921	1.8
341.13821	5.3
347.12747	2.4
353.13782	2.8
365.13602	1.9
395.82974	1.1
427.15451	1.4
439.15497	1.6
459.17853	5.6
471.18042	1.3
489.19049	2.4
495.99146	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	0.3
57.03429	0.2
59.40446	0.2
61.02935	0.4
66.04689	0.2
67.05501	0.3
69.03413	0.8
71.04995	0.2
71.20567	0.5
77.44633	0.2
81.03415	0.9
81.07038	0.6
85.02908	2.9
91.05456	0.6
94.04175	0.8
95.05000	0.2
97.02877	0.9
97.62427	0.2
103.05465	1.1
105.06997	0.5
107.04946	0.3
109.02850	0.3
119.04954	0.6
119.27880	0.2
122.03638	2.5
127.03889	0.4
131.04922	2.6
133.06482	0.4
137.05977	100.0
138.06337	0.6
143.04924	0.3
145.04974	0.4
147.04437	0.3
147.90965	0.2
151.07544	1.0
154.06276	0.3
163.03932	0.5
163.07545	4.5
165.09103	0.3
167.07048	0.2
175.07568	0.7
179.07072	0.2
181.08592	15.9
187.07617	0.3
191.07065	0.3
195.10179	0.3
209.08104	0.6
211.07668	0.2
221.08075	0.2
247.09850	0.3
265.10742	0.5
269.07742	0.2
277.10712	0.3
289.10727	0.5
307.11972	0.3
386.50247	0.2
466.15634	0.2
521.70160	0.3
541.73248	0.2
554.29877	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.4051
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	4.4
55.05297	1.4
55.05511	14.2
56.05016	1.4
57.03441	11.7
57.07076	35.0
57.96245	1.2
58.36624	1.3
63.50185	1.3
63.57682	1.2
66.11119	1.4
67.05505	16.6
69.03399	1.4
69.07063	6.8
70.02936	5.4
70.53909	3.2
70.54277	2.6
71.08274	2.4
71.08630	21.5
72.04516	100.0
79.05495	16.2
80.05026	11.1
81.07060	24.3
82.02941	4.5
82.06581	8.7
83.04960	2.1
83.08619	12.2
84.04491	2.5
85.10179	11.8
89.05999	1.8
91.05466	6.1
93.07026	5.3
93.37441	1.3
95.04955	1.7
95.08610	19.0
96.04492	12.5
97.10155	6.9
97.21673	1.2
98.06035	1.7
98.14246	1.3
105.07011	4.1
107.08582	5.4
107.81953	1.5
108.04486	14.7
108.08107	1.5
109.05241	1.9
109.10149	7.9
110.06059	7.7
117.07009	3.0
119.08554	1.8
122.06020	4.3
123.11665	2.4
124.11199	3.8
135.08028	3.4
136.07587	2.3
160.11250	2.5
178.12268	11.7
188.10768	2.3
206.11786	6.2
224.12820	11.9
239.23747	3.7
257.24622	1.7
264.27426	1.6
280.15475	15.3
298.16492	91.5
313.27359	94.5
314.27753	1.5
432.61804	1.7
536.39532	42.2
537.40002	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2983
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31976	0.3
54.88475	0.3
56.47707	0.3
60.52437	0.4
67.05491	0.4
70.68499	0.3
71.59441	0.3
71.59851	0.6
73.35760	0.3
79.60825	0.4
81.07064	0.6
91.05487	0.6
95.08582	0.5
107.08582	0.6
130.58116	0.4
147.04428	0.5
176.09924	0.4
196.33757	0.3
203.05284	0.7
256.39709	0.3
259.07947	0.8
262.19351	0.3
299.04282	0.4
317.19647	0.7
335.20584	0.8
391.24771	1.2
441.20657	0.4
553.29828	100.0
554.30048	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2976
Annotation	Withangulatin D
Peak:m/z	Relative Intensity
52.12913	0.5
54.45842	0.5
56.96553	0.6
59.75350	0.5
71.59370	0.9
76.58108	0.6
81.07042	1.3
83.01087	1.5
93.07058	1.2
95.08627	0.5
107.08622	1.4
119.08594	0.8
135.11734	1.5
147.04529	0.6
162.06537	0.6
163.03906	1.5
184.07452	0.7
185.04205	1.3
188.65392	0.6
201.03708	1.1
203.05286	1.9
241.06902	0.5
259.07947	1.9
267.37424	0.6
275.45065	0.6
317.19641	1.0
331.09943	2.5
359.13220	0.8
391.24274	0.6
415.19574	1.2
483.21967	1.5
553.29840	100.0
554.30219	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2985
Annotation	Withangulatin D
Peak:m/z	Relative Intensity
53.79549	0.2
62.02340	0.3
71.00029	0.7
81.07054	0.5
91.05479	0.4
93.07062	0.3
94.74998	0.2
95.08613	0.5
105.07036	0.4
107.08641	0.4
116.98623	0.3
119.04959	0.3
129.29662	0.2
135.11739	0.3
143.99586	0.3
147.04388	1.5
154.62981	0.3
185.04268	0.4
203.05357	0.9
205.31296	0.3
259.07889	0.7
271.43243	0.2
285.10022	0.4
289.63556	0.3
299.18423	0.4
317.19736	0.7
335.20786	0.8
391.24402	1.2
394.15375	0.3
394.65775	0.5
431.18295	0.4
524.54492	0.3
553.29834	100.0
554.30249	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.3294
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22885	0.2
55.05489	0.2
56.05035	0.5
56.96565	0.3
58.06620	0.5
60.08159	6.1
67.05487	0.3
69.07072	0.2
70.06606	0.2
70.73293	0.6
70.73653	0.2
71.07366	3.2
71.91114	0.2
76.48805	0.2
79.05461	0.3
81.07063	0.7
83.04982	0.2
86.09702	27.8
91.05487	0.5
93.07038	0.4
95.08610	0.3
96.73614	0.2
98.98463	2.5
104.10736	4.4
105.07040	0.8
107.08581	0.4
109.10208	0.2
119.04955	0.3
119.08568	0.3
124.99999	19.3
129.74637	0.2
131.35886	0.2
133.10114	0.4
143.01031	0.3
147.04424	1.3
166.02567	0.3
167.07080	0.3
184.07333	100.0
185.07716	0.3
193.04916	0.3
220.20630	0.3
257.03323	0.4
258.11011	0.3
311.27774	0.2
339.13354	0.4
452.23978	1.0
508.41830	0.2
520.20221	0.6
534.31958	1.4
552.16113	0.4
552.32947	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.3293
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	0.3
56.05024	0.6
58.01987	0.2
58.06602	0.4
58.12033	0.2
60.08159	5.5
71.07375	2.5
71.59471	0.5
81.07058	0.7
83.08624	0.2
86.09698	30.0
86.70256	0.2
88.30090	0.2
89.49309	0.3
91.05493	0.4
93.07034	0.4
95.08586	0.3
98.98463	2.2
103.05640	0.2
104.10735	4.6
105.07074	0.4
107.08566	0.4
109.10185	0.3
112.75835	0.2
113.89806	0.2
119.08533	0.2
124.99995	19.2
137.05949	0.2
143.01027	0.5
147.04485	0.4
184.07327	100.0
185.07648	0.6
211.31897	0.2
258.11023	0.2
273.92166	0.2
412.20560	0.3
452.24182	1.4
471.02045	0.3
492.36798	0.3
509.98331	0.3
516.30933	0.3
534.31873	1.9
552.32886	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	552.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	0.2
51.47076	0.2
53.03934	0.8
53.31416	0.2
54.81240	0.2
55.01883	0.2
57.03418	0.8
61.02922	0.2
69.03407	0.7
69.54833	0.3
69.55247	1.3
71.04986	0.2
73.02925	1.6
77.03896	0.2
81.03407	0.2
82.17975	0.2
85.02895	1.0
91.05476	4.5
93.07043	7.2
93.07626	0.4
95.04974	2.1
97.02880	0.5
98.95657	0.2
103.05472	4.8
111.96683	0.2
115.03911	0.3
121.06499	100.0
122.06839	0.6
127.03913	0.4
133.06497	0.2
138.05498	0.4
161.05991	0.3
173.72287	0.2
183.77843	0.2
185.93910	0.2
193.08595	0.2
207.33940	0.2
258.11255	5.6
269.68402	0.2
292.83972	0.2
420.16519	50.8
421.16971	0.7
552.21387	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.4
55.01867	1.1
55.05502	0.5
57.03448	2.3
57.07097	0.4
59.56311	0.4
61.02924	1.0
67.05502	1.3
68.99793	0.4
69.03427	13.4
69.07052	1.0
70.96416	0.5
70.96738	0.7
71.04988	0.6
73.02914	1.4
75.04467	0.4
79.05489	5.1
79.66166	0.4
81.03416	4.1
81.07054	100.0
83.04979	0.6
84.76550	0.5
85.02904	17.1
85.48756	0.4
87.00824	6.8
87.04463	2.5
91.05491	0.5
93.07031	0.7
95.04966	0.8
95.08607	8.2
97.02891	13.3
99.04454	2.6
103.03928	1.0
105.01864	14.3
107.04946	0.4
109.02876	3.8
111.04427	0.5
115.03924	6.9
123.11744	0.5
124.85290	0.4
125.02277	0.5
127.03918	11.2
129.49600	0.4
133.04951	2.1
135.04420	0.5
137.05988	0.8
137.13251	30.3
139.03903	0.9
145.04955	6.0
147.02919	0.6
150.07651	1.4
154.15953	0.7
157.04839	0.4
159.02843	2.1
167.64523	0.4
167.88940	0.5
173.13396	0.4
177.05502	1.1
181.04906	0.5
184.07475	0.4
189.03966	1.2
213.03905	1.2
223.06102	1.3
231.04984	6.2
241.07008	2.6
247.04414	0.5
249.06053	5.3
259.08051	0.7
273.06137	0.8
281.96045	0.5
301.09464	0.6
327.07025	3.5
345.08163	10.4
345.12207	0.6
363.09259	2.1
367.17371	0.6
381.10403	1.2
439.53949	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.4246
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	4.9
55.05506	12.2
57.07062	5.3
67.05502	28.2
69.06731	4.1
69.07063	19.7
71.38821	3.1
74.13076	3.4
79.05487	24.3
81.07048	33.7
83.08607	7.6
91.05465	35.6
93.07042	57.8
95.04962	9.5
95.08597	41.1
105.06313	3.6
105.06506	2.1
105.07024	79.7
107.08591	56.3
109.10134	37.5
117.07037	18.3
119.08575	100.0
121.10133	55.0
123.11710	10.9
128.06180	6.3
129.06990	10.2
130.07794	6.3
131.08563	33.6
133.09151	2.3
133.10118	65.6
135.11693	34.8
141.07060	3.7
142.07718	16.8
143.08577	25.4
144.09352	6.9
145.10117	63.4
147.11717	24.9
149.13248	6.7
153.07008	4.8
155.08554	9.9
156.09360	10.0
157.10114	41.9
159.11682	31.2
161.13264	9.3
167.08565	9.0
169.10129	20.1
171.11659	18.6
173.13275	22.9
175.14803	33.2
181.10168	7.5
182.10892	6.4
183.11707	15.1
185.13266	12.4
187.14760	16.2
193.10152	5.1
194.10899	5.3
195.11688	11.4
197.13229	17.7
199.14803	4.1
201.16418	11.7
207.11662	6.7
208.12497	5.2
209.13313	11.2
211.14798	10.0
213.16383	9.5
221.13359	8.5
223.14798	8.5
225.16396	4.5
235.14879	6.7
237.16357	5.6
239.17932	4.1
247.14810	4.8
253.19368	4.8
257.18939	4.5
261.16226	5.2
263.17938	4.2
267.21118	4.3
411.30734	5.7
505.07672	4.2
547.62830	4.8
551.42389	32.9
556.56750	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	551.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.5
63.31283	1.1
68.70004	1.1
69.03419	5.2
69.82667	5.7
71.04972	1.5
71.83376	1.1
78.04700	1.1
79.05486	6.1
81.03419	1.9
85.02904	11.5
91.05474	7.8
93.07034	1.3
95.04963	3.5
97.02879	4.4
99.04482	1.4
103.05471	29.1
105.07026	7.1
107.04950	15.0
109.06496	1.2
115.05456	5.5
117.03395	1.3
117.07005	3.3
118.04188	1.9
121.06499	2.6
122.03627	1.4
123.04402	4.1
124.05216	2.7
127.03922	2.4
129.06981	5.7
131.04930	72.6
132.05684	3.9
133.06491	6.8
135.04411	2.3
135.08015	2.1
137.05975	15.8
138.06310	5.2
145.05048	1.7
145.06462	3.6
147.04489	1.9
147.08063	2.3
149.05992	3.5
152.04663	2.9
153.05487	2.8
155.04913	1.9
157.06523	1.7
159.08035	2.6
160.05225	2.7
161.05968	8.7
163.03871	5.0
163.07544	45.1
165.06966	1.6
166.07773	1.4
167.07039	100.0
175.07544	27.7
175.09016	2.0
176.04636	2.1
177.05467	3.2
177.09206	1.6
178.07813	5.1
179.08530	3.2
181.04929	1.3
181.06424	2.1
185.06020	1.5
187.07542	11.2
189.07224	2.2
189.09106	14.3
190.07771	1.5
191.07031	18.9
191.08559	2.7
192.07780	4.6
193.08620	31.8
193.10158	1.8
194.07262	1.8
195.07991	2.4
199.07565	4.2
201.09184	1.5
202.07777	3.4
203.08618	2.6
204.07753	1.5
205.06540	3.0
206.07303	6.7
207.08064	4.0
209.07968	2.8
209.09698	1.9
217.06535	1.6
217.08559	1.6
218.07242	3.7
219.08060	4.9
220.08807	2.4
221.05974	1.6
221.09615	6.5
223.07480	2.4
224.08382	3.0
231.08044	3.3
233.06068	1.9
233.09602	2.9
234.06725	6.7
235.07518	5.6
236.08264	2.2
237.05496	1.9
237.09137	3.3
247.07559	3.4
248.08282	4.7
249.09055	13.8
250.06448	1.5
250.09799	1.4
251.07018	2.9
252.07858	4.3
253.08783	1.3
257.08102	1.9
261.09109	3.9
262.06320	1.6
263.07037	3.2
263.10828	1.6
264.07800	3.5
265.08527	4.3
266.09412	3.8
267.10162	3.6
277.08542	11.9
278.09402	4.2
279.10251	3.9
280.07437	2.3
281.11703	7.9
289.08582	2.1
291.10318	2.2
293.08435	2.2
293.11508	2.5
294.08853	5.6
295.09622	15.4
297.11176	3.4
307.09506	1.6
309.11188	31.0
310.11847	3.0
321.11185	5.5
325.10669	3.1
326.11301	3.6
327.12274	9.6
329.13864	12.9
339.12305	3.2
340.13107	8.8
341.13846	49.9
342.14044	1.4
343.15359	10.8
353.13849	12.3
355.15277	2.2
359.14670	2.6
371.14868	23.6
551.20355	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	550.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02388	0.8
53.03937	3.1
54.17336	0.8
55.01855	1.0
55.05504	1.5
57.03427	3.0
60.08167	0.7
61.02927	1.0
65.03952	2.0
67.05493	2.2
69.03072	1.3
69.03430	17.2
69.07059	1.4
69.27272	8.8
71.04977	1.4
73.02912	1.3
79.05492	5.3
81.03410	5.5
81.07050	4.1
83.04980	2.1
85.02905	22.7
86.09705	2.2
87.00837	7.4
87.04462	3.6
91.05473	17.0
93.07044	56.6
95.04951	4.3
95.08607	2.4
97.02896	17.3
99.04459	3.9
103.05447	0.8
105.01868	15.8
105.07020	9.2
107.04997	1.2
107.08595	100.0
109.02877	5.1
109.06475	3.8
109.10155	1.6
111.04425	0.8
115.03933	9.7
117.07050	0.8
119.06093	1.1
119.08591	3.2
125.00008	0.8
125.02396	0.8
127.03910	16.6
129.05591	0.7
133.04970	4.1
133.10153	2.0
135.11690	65.9
137.05989	2.5
138.06209	0.8
139.03900	1.0
145.04979	8.2
145.10175	1.4
147.04402	1.0
147.11736	1.1
149.05960	0.9
150.07626	1.5
151.03929	1.0
152.14319	5.2
159.02895	3.5
161.05978	0.8
161.13239	0.7
163.03966	1.4
167.07024	3.7
168.07368	1.1
173.08130	0.9
177.05486	1.2
177.12749	0.8
184.07314	5.4
189.04076	0.9
193.08510	0.8
203.18007	1.7
205.05025	0.7
213.04103	1.0
223.05968	1.3
231.05005	6.7
233.68570	0.8
241.07100	3.4
249.06065	5.1
267.15918	1.1
273.06149	1.0
301.09277	0.8
309.06042	1.0
327.07156	3.9
345.08176	11.8
363.09232	2.7
518.19391	1.0
550.22186	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.1
54.11158	1.0
55.01860	1.2
55.05503	1.9
57.03430	3.4
61.02925	1.7
62.13330	1.2
65.03922	2.0
67.05508	2.0
68.99795	1.2
69.03424	17.5
69.07063	2.5
70.06606	1.2
71.04982	1.5
71.20560	2.8
73.02915	2.5
78.61598	1.2
79.05484	7.0
80.22832	1.1
81.03428	6.6
81.07053	3.5
83.04977	2.0
85.02904	25.3
86.09684	1.5
87.00809	8.0
87.04467	3.7
91.03893	1.2
91.05473	17.1
93.07044	59.9
95.04970	5.3
95.08602	3.6
97.02902	20.1
99.00600	1.2
99.04448	4.7
105.01866	17.7
105.07015	7.7
107.04971	2.0
107.08594	100.0
109.02863	8.9
109.06538	2.8
109.10163	2.3
111.04445	1.7
115.03935	9.7
116.72454	1.3
119.08584	3.5
121.06504	6.2
121.10200	1.5
123.04422	2.0
127.03915	19.2
131.04959	1.3
133.04962	3.9
135.04495	1.5
135.11688	96.0
137.05981	3.6
145.04959	8.8
147.04417	4.6
150.07640	2.4
151.07567	1.5
152.14348	6.2
159.02881	2.5
161.06030	1.4
163.03935	2.0
167.07011	6.1
175.77831	1.0
177.05496	1.4
181.05099	1.7
184.07396	1.9
189.03908	2.0
203.17857	1.8
213.03992	1.8
223.06020	1.3
231.04970	8.0
241.07121	6.0
243.14029	1.2
249.06053	7.8
273.05923	1.3
327.07098	5.1
343.19327	1.2
345.08215	13.6
359.07272	1.2
363.09167	3.1
381.10364	1.2
398.16504	1.2
458.13074	1.3
479.16446	1.8
518.18616	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.8
55.01867	5.6
59.54222	2.6
65.03940	17.9
67.05503	4.4
69.03451	3.2
71.06274	6.9
76.47247	3.0
79.05491	8.2
81.03397	4.5
82.04204	2.6
85.02911	10.0
87.04504	2.6
88.65408	2.4
89.03924	2.8
91.05476	38.5
93.03407	7.9
93.07015	4.7
95.04963	12.0
97.02895	6.0
103.05458	13.8
105.03371	4.7
105.07022	20.8
106.04163	12.0
107.04943	16.7
108.05789	2.7
109.06517	5.7
110.03661	15.8
110.89888	3.0
111.04436	30.6
115.05447	10.5
117.07038	3.4
118.04140	4.3
119.04940	39.7
121.06503	15.2
122.03655	3.5
123.04431	10.7
123.08054	3.1
124.05227	3.7
125.05963	20.1
128.06223	7.7
129.07002	10.3
130.04018	2.8
131.04916	20.9
132.05743	4.1
133.02811	3.5
133.06477	12.8
137.05971	37.2
138.03058	3.3
145.06487	12.0
146.07277	6.9
147.04410	17.4
147.08025	5.4
149.05984	29.1
151.03922	4.1
151.07524	20.3
153.05463	100.0
153.06764	4.8
153.09038	5.0
157.06494	6.6
158.54170	2.9
159.08063	11.1
161.05943	28.1
162.06664	4.2
163.03903	4.3
163.07451	6.3
165.05495	4.7
167.07036	76.1
171.04422	2.8
172.05319	4.6
173.06038	3.0
174.06778	20.2
175.07539	20.4
177.05466	33.0
178.07800	4.2
179.07040	9.2
181.08601	6.3
183.06531	4.3
185.05952	7.3
186.06764	6.2
187.07486	22.5
189.07082	4.8
189.08961	5.3
190.07742	4.9
191.07021	14.1
191.08554	7.4
193.08620	8.6
199.07539	10.1
202.07938	3.1
203.06912	3.1
203.08585	6.6
204.07759	7.0
205.06520	5.8
207.08127	4.9
208.08913	3.0
209.08028	26.9
216.07779	16.4
217.08621	8.0
218.07350	7.8
219.08038	15.6
220.08801	9.9
221.09589	6.0
222.06760	3.5
229.08534	17.7
231.08078	7.5
232.08781	2.9
233.05936	6.4
233.09712	4.3
234.06830	6.4
235.07547	11.0
236.08359	12.2
237.09328	6.5
239.06514	2.8
244.73593	3.3
246.06645	4.2
247.07516	13.3
248.08362	4.6
249.09142	11.5
250.09969	4.2
251.07089	3.4
251.10603	16.2
253.08531	4.6
259.07590	3.0
261.05396	3.6
261.09146	6.6
262.06210	4.8
263.07007	7.7
263.10767	4.1
264.07797	20.2
265.08615	14.9
267.10181	3.5
275.06955	5.4
276.07828	8.2
277.08542	9.2
278.09323	7.5
279.06772	3.7
279.10126	13.5
281.08075	3.3
281.11694	4.8
291.10345	4.2
292.07214	4.9
293.08102	10.3
294.08673	3.7
295.09653	4.6
297.11432	2.9
305.08194	5.4
307.06177	5.0
307.09631	68.0
308.10379	13.4
309.11148	12.6
311.12692	4.3
319.09656	8.3
320.10379	4.0
321.11194	12.8
322.08563	2.7
323.12854	11.9
324.09491	3.2
327.12320	3.0
337.10754	14.3
339.12277	86.1
340.12952	30.5
341.13791	4.5
347.12924	3.9
351.12204	11.7
352.13071	7.6
353.13867	5.8
355.12155	3.1
357.13202	7.2
365.13806	6.5
369.13217	11.0
370.14157	11.2
387.14517	3.8
499.17450	4.7
517.18542	4.0
549.20117	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	549.193
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.1
55.01867	3.7
55.05497	2.4
56.96557	18.0
57.03437	29.9
58.03759	2.3
59.04999	2.1
61.02638	1.6
61.02926	17.7
66.35836	1.4
69.03072	2.6
69.03426	33.8
69.39954	13.5
70.03728	1.7
71.01342	2.0
71.04997	36.7
72.08146	4.5
73.02919	54.9
74.03246	2.6
74.06062	1.6
81.03428	10.2
83.04961	4.2
84.96016	4.2
85.02906	100.0
86.03219	6.4
86.90904	4.9
87.04466	8.8
87.09247	2.2
91.03955	3.6
91.05473	14.3
93.07040	3.5
95.04965	3.7
97.02898	41.9
98.03245	3.1
98.21562	3.0
98.97577	36.1
99.04438	6.4
101.02377	1.9
101.05952	1.9
103.05445	3.0
107.04929	6.3
107.08572	1.7
109.02870	5.5
110.01339	2.0
110.97588	5.2
111.04466	2.0
112.99128	10.3
115.03967	9.8
116.98615	32.4
118.02769	1.4
118.08646	4.2
119.00227	1.8
119.01830	6.2
119.04959	13.8
121.02867	1.9
121.06503	23.0
122.06835	4.9
123.04418	6.6
127.03933	24.2
128.02286	3.0
128.04208	3.0
128.97832	1.4
128.98624	11.4
129.05495	9.2
131.00168	30.1
131.01837	3.2
131.04877	1.9
133.04997	2.9
134.99675	16.7
135.04420	4.7
137.05957	10.4
139.03880	3.7
140.00146	1.8
140.02280	1.8
143.00150	8.3
143.01895	4.1
145.01706	3.3
145.03586	2.4
145.04950	13.9
145.46356	1.4
146.99664	14.2
147.03125	3.5
147.06494	2.8
149.00099	2.7
149.01224	37.0
149.02538	2.5
149.02925	2.8
151.07556	11.1
153.00728	1.7
153.03058	2.9
155.01859	3.6
156.03600	9.6
156.05327	2.1
157.03403	2.5
158.99654	11.5
161.01218	21.3
161.02910	4.2
161.05684	1.9
161.55728	1.7
162.05415	4.3
162.99110	3.8
163.02701	2.5
163.03914	17.1
164.04346	2.2
165.00700	4.9
167.02290	7.5
167.54366	2.9
169.04343	7.4
170.06091	2.3
170.99626	7.2
171.06142	1.6
173.01231	12.5
173.02917	5.5
175.02759	5.5
175.04346	1.6
177.00705	19.7
178.00975	2.1
178.03667	2.5
178.04968	32.8
178.55096	5.3
179.02287	4.3
182.03371	3.1
182.99525	1.9
183.01796	3.9
183.05083	1.6
184.04913	4.7
185.01273	2.5
185.03014	3.0
189.00743	14.5
189.55699	5.9
191.02315	15.2
191.03854	2.6
193.02220	1.6
193.03802	5.8
193.05429	2.2
195.01726	2.4
196.05067	2.0
197.01215	2.8
200.04572	2.7
201.00674	10.9
203.02252	4.3
203.03973	2.2
205.03854	2.8
207.01755	21.3
209.03194	2.0
211.02832	1.6
211.04773	5.0
213.00534	2.6
216.04681	10.6
219.01753	29.0
219.05089	3.0
221.05016	4.0
223.04863	5.3
225.00789	1.9
225.02811	6.6
225.04761	1.6
227.04321	1.7
227.55309	3.5
228.05722	11.8
228.55956	4.5
229.03769	2.1
231.01735	4.6
233.03304	4.9
235.02773	2.3
235.04973	5.4
237.00487	3.0
237.02818	42.1
237.06104	9.1
237.08243	2.8
238.03210	1.7
242.08026	2.2
242.58324	2.1
243.01677	2.5
243.08255	1.9
245.05113	5.9
246.05122	2.1
247.05023	2.5
249.02719	11.3
250.07024	12.2
251.04396	2.1
251.06743	6.7
251.08989	2.4
251.56815	4.1
251.59161	2.2
252.08771	3.2
252.58853	2.0
253.03665	2.1
253.06032	3.2
255.01656	4.2
255.03871	2.3
257.03311	1.9
259.07462	3.2
260.07355	2.0
261.02826	6.6
263.04190	2.1
267.03870	6.1
275.04373	2.8
279.03815	11.6
279.07068	1.7
280.04263	2.0
281.05194	1.7
281.07483	1.8
288.06790	8.2
289.07083	2.2
291.03934	3.2
293.05399	6.5
297.04895	2.5
297.07465	23.7
297.57465	2.0
309.04865	3.7
311.06802	1.9
316.09045	5.2
317.08862	24.6
317.59052	33.1
318.10944	59.1
318.61008	11.7
321.04941	3.7
321.10623	8.9
322.10513	3.3
323.09958	7.3
325.08682	7.4
327.10184	3.6
332.09399	2.7
333.11316	14.2
333.61472	7.5
334.11090	3.6
337.08115	16.2
339.07260	2.2
341.10062	6.6
351.06168	2.1
355.09341	12.9
356.09390	2.0
357.08087	2.6
362.09836	3.7
367.09070	2.1
369.07040	13.9
369.10968	2.6
373.07968	5.1
377.12186	2.2
377.62088	5.5
378.10416	10.4
379.09961	1.9
384.11749	41.3
384.61725	8.7
385.12152	2.2
387.06195	4.0
391.12726	10.2
391.62875	3.1
399.12253	2.7
399.62164	4.8
400.13049	38.6
400.63022	6.4
415.08887	2.6
453.12903	1.8
469.10162	5.5
549.18805	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	548.3431
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74370	2.9
55.01862	4.4
55.05502	19.6
57.03430	6.2
61.02916	6.0
66.76405	3.1
66.88435	3.3
67.05501	54.3
69.07063	17.6
71.04959	4.0
71.59547	5.7
78.29973	3.4
79.05500	30.2
81.07058	50.2
83.08609	11.4
85.02896	4.7
85.06514	4.8
91.03947	4.7
91.05473	27.1
93.07040	35.6
95.04971	3.2
95.08599	29.3
97.02876	5.6
97.06518	10.9
97.10165	5.6
105.07001	22.1
106.65437	3.2
107.04946	3.5
107.08588	33.0
109.10171	27.9
115.71307	3.5
117.06979	5.9
119.04937	4.2
119.08595	17.2
120.18068	3.4
121.10124	17.7
123.11681	3.9
125.09639	6.8
127.03931	3.9
129.07007	4.2
130.75082	3.5
131.08588	7.5
133.10121	17.9
135.11693	19.7
145.10138	10.6
147.04373	19.7
147.11717	18.4
148.04691	3.9
149.09639	3.9
149.13251	12.4
159.11674	8.7
161.13237	9.8
163.11203	5.0
163.14761	5.0
171.11748	7.9
173.11754	4.6
173.13255	7.3
175.14752	5.0
179.14273	3.9
185.13329	4.6
189.11205	7.2
227.12932	7.2
229.14232	20.1
231.21092	4.8
241.19530	9.4
259.20569	29.6
277.21564	39.6
351.25229	100.0
356.22192	3.6
369.26202	8.8
407.30847	10.1
419.54037	3.9
453.31073	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	549.193
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.1
55.01867	3.7
55.05497	2.4
56.96557	18.0
57.03437	29.9
58.03759	2.3
59.04999	2.1
61.02638	1.6
61.02926	17.7
66.35836	1.4
69.03072	2.6
69.03426	33.8
69.39954	13.5
70.03728	1.7
71.01342	2.0
71.04997	36.7
72.08146	4.5
73.02919	54.9
74.03246	2.6
74.06062	1.6
81.03428	10.2
83.04961	4.2
84.96016	4.2
85.02906	100.0
86.03219	6.4
86.90904	4.9
87.04466	8.8
87.09247	2.2
91.03955	3.6
91.05473	14.3
93.07040	3.5
95.04965	3.7
97.02898	41.9
98.03245	3.1
98.21562	3.0
98.97577	36.1
99.04438	6.4
101.02377	1.9
101.05952	1.9
103.05445	3.0
107.04929	6.3
107.08572	1.7
109.02870	5.5
110.01339	2.0
110.97588	5.2
111.04466	2.0
112.99128	10.3
115.03967	9.8
116.98615	32.4
118.02769	1.4
118.08646	4.2
119.00227	1.8
119.01830	6.2
119.04959	13.8
121.02867	1.9
121.06503	23.0
122.06835	4.9
123.04418	6.6
127.03933	24.2
128.02286	3.0
128.04208	3.0
128.97832	1.4
128.98624	11.4
129.05495	9.2
131.00168	30.1
131.01837	3.2
131.04877	1.9
133.04997	2.9
134.99675	16.7
135.04420	4.7
137.05957	10.4
139.03880	3.7
140.00146	1.8
140.02280	1.8
143.00150	8.3
143.01895	4.1
145.01706	3.3
145.03586	2.4
145.04950	13.9
145.46356	1.4
146.99664	14.2
147.03125	3.5
147.06494	2.8
149.00099	2.7
149.01224	37.0
149.02538	2.5
149.02925	2.8
151.07556	11.1
153.00728	1.7
153.03058	2.9
155.01859	3.6
156.03600	9.6
156.05327	2.1
157.03403	2.5
158.99654	11.5
161.01218	21.3
161.02910	4.2
161.05684	1.9
161.55728	1.7
162.05415	4.3
162.99110	3.8
163.02701	2.5
163.03914	17.1
164.04346	2.2
165.00700	4.9
167.02290	7.5
167.54366	2.9
169.04343	7.4
170.06091	2.3
170.99626	7.2
171.06142	1.6
173.01231	12.5
173.02917	5.5
175.02759	5.5
175.04346	1.6
177.00705	19.7
178.00975	2.1
178.03667	2.5
178.04968	32.8
178.55096	5.3
179.02287	4.3
182.03371	3.1
182.99525	1.9
183.01796	3.9
183.05083	1.6
184.04913	4.7
185.01273	2.5
185.03014	3.0
189.00743	14.5
189.55699	5.9
191.02315	15.2
191.03854	2.6
193.02220	1.6
193.03802	5.8
193.05429	2.2
195.01726	2.4
196.05067	2.0
197.01215	2.8
200.04572	2.7
201.00674	10.9
203.02252	4.3
203.03973	2.2
205.03854	2.8
207.01755	21.3
209.03194	2.0
211.02832	1.6
211.04773	5.0
213.00534	2.6
216.04681	10.6
219.01753	29.0
219.05089	3.0
221.05016	4.0
223.04863	5.3
225.00789	1.9
225.02811	6.6
225.04761	1.6
227.04321	1.7
227.55309	3.5
228.05722	11.8
228.55956	4.5
229.03769	2.1
231.01735	4.6
233.03304	4.9
235.02773	2.3
235.04973	5.4
237.00487	3.0
237.02818	42.1
237.06104	9.1
237.08243	2.8
238.03210	1.7
242.08026	2.2
242.58324	2.1
243.01677	2.5
243.08255	1.9
245.05113	5.9
246.05122	2.1
247.05023	2.5
249.02719	11.3
250.07024	12.2
251.04396	2.1
251.06743	6.7
251.08989	2.4
251.56815	4.1
251.59161	2.2
252.08771	3.2
252.58853	2.0
253.03665	2.1
253.06032	3.2
255.01656	4.2
255.03871	2.3
257.03311	1.9
259.07462	3.2
260.07355	2.0
261.02826	6.6
263.04190	2.1
267.03870	6.1
275.04373	2.8
279.03815	11.6
279.07068	1.7
280.04263	2.0
281.05194	1.7
281.07483	1.8
288.06790	8.2
289.07083	2.2
291.03934	3.2
293.05399	6.5
297.04895	2.5
297.07465	23.7
297.57465	2.0
309.04865	3.7
311.06802	1.9
316.09045	5.2
317.08862	24.6
317.59052	33.1
318.10944	59.1
318.61008	11.7
321.04941	3.7
321.10623	8.9
322.10513	3.3
323.09958	7.3
325.08682	7.4
327.10184	3.6
332.09399	2.7
333.11316	14.2
333.61472	7.5
334.11090	3.6
337.08115	16.2
339.07260	2.2
341.10062	6.6
351.06168	2.1
355.09341	12.9
356.09390	2.0
357.08087	2.6
362.09836	3.7
367.09070	2.1
369.07040	13.9
369.10968	2.6
373.07968	5.1
377.12186	2.2
377.62088	5.5
378.10416	10.4
379.09961	1.9
384.11749	41.3
384.61725	8.7
385.12152	2.2
387.06195	4.0
391.12726	10.2
391.62875	3.1
399.12253	2.7
399.62164	4.8
400.13049	38.6
400.63022	6.4
415.08887	2.6
453.12903	1.8
469.10162	5.5
549.18805	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	548.343
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49574	1.5
53.03955	3.1
54.27679	1.5
55.05506	12.3
57.03432	21.4
61.02916	4.7
67.05170	2.4
67.05503	33.8
69.03426	3.4
69.07072	11.2
71.04969	4.8
71.60355	3.5
71.78825	1.7
73.02888	1.9
79.05067	2.2
79.05490	36.6
81.03396	2.5
81.05650	1.7
81.07055	50.4
83.04956	3.4
83.08631	8.3
85.02898	7.9
85.06528	4.1
91.03947	2.7
91.05477	36.8
93.07038	54.5
95.04952	4.5
95.08044	3.0
95.08608	38.9
97.02874	4.3
97.06535	3.8
97.10130	3.9
99.08089	4.7
99.97857	1.7
105.07030	30.1
107.08588	36.2
109.06477	4.4
109.10155	15.0
111.08040	3.0
113.09668	2.4
117.07036	11.3
119.08569	29.9
121.10133	27.9
123.08038	3.3
123.11707	4.5
125.09660	2.0
127.03919	2.3
129.05464	2.1
129.07019	4.6
131.08549	18.8
133.10127	27.0
135.08005	2.3
135.11682	30.1
137.09599	3.0
143.08543	5.8
145.10118	16.2
147.04427	4.2
147.11665	20.0
149.09541	2.0
149.13234	13.1
151.11176	1.8
152.29533	1.6
153.37941	1.7
157.10130	5.1
159.11670	15.7
161.13269	10.2
163.14781	4.0
171.11676	6.5
173.13219	6.3
175.14821	4.5
177.12756	4.1
179.14343	2.3
182.83644	1.7
185.13274	7.0
187.14793	10.0
199.14848	4.4
201.16348	4.6
205.15887	4.9
213.16394	1.8
219.17421	3.4
229.14389	3.2
231.21236	1.7
241.19568	15.1
249.78525	1.6
259.20538	28.2
269.17493	7.5
275.19946	2.0
277.21643	28.5
293.21033	3.4
333.24149	7.7
351.25262	100.0
513.30646	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	547.3996
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	3.5
55.01873	2.8
55.05507	18.4
57.03437	6.8
57.07069	2.8
60.42402	1.2
64.20376	1.5
65.03944	2.8
66.71966	1.2
67.05506	54.1
69.03427	3.1
69.07068	18.8
69.79832	2.2
69.80241	7.1
71.04997	5.0
71.08628	2.3
76.25323	1.3
79.05495	30.3
80.50988	1.3
81.02976	2.5
81.03426	34.1
81.06577	3.1
81.07058	65.7
82.65342	1.4
83.04969	3.5
83.08620	16.8
85.02911	13.9
85.06572	1.7
88.50737	1.3
91.05484	26.0
92.15629	1.5
93.07051	22.0
95.04964	14.8
95.08606	39.3
97.06542	4.1
97.10183	5.8
98.21420	1.8
99.08100	2.7
105.07019	20.4
105.07650	1.6
107.04972	4.4
107.08603	15.3
109.06540	3.7
109.10159	14.1
109.48349	1.5
111.08092	7.6
113.06001	1.9
117.07050	3.0
119.04973	1.7
119.08578	18.2
121.06560	1.8
121.10141	12.1
123.08111	2.3
123.11707	8.0
125.09629	2.0
129.07022	5.9
131.08566	8.6
133.06493	1.6
133.10107	11.4
135.11717	4.7
137.09599	2.3
137.13287	3.4
137.65396	1.4
145.10182	2.4
147.04442	3.8
147.11662	10.2
148.79166	1.5
149.09581	3.3
149.13303	2.9
157.10170	5.7
159.11852	2.7
161.13278	3.1
163.14931	1.9
175.11185	7.6
175.14908	1.7
189.16478	1.8
193.12234	25.9
203.17993	3.8
211.13300	37.1
211.15257	2.3
245.22701	2.6
263.23782	4.3
267.15866	6.9
292.89465	1.5
323.74716	1.4
337.27460	3.9
437.34445	2.3
529.38989	12.6
547.40033	100.0
548.40387	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.3431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.7
53.77481	1.3
55.01863	3.4
55.05511	17.4
57.03433	7.1
57.07065	2.2
58.86968	1.4
59.04988	1.5
61.02923	4.5
65.03928	1.4
66.58585	1.2
67.05505	49.5
67.05871	2.4
69.03428	2.3
69.07063	14.9
70.13036	6.9
71.04986	4.4
73.02886	1.5
76.33332	1.2
79.05061	2.4
79.05491	31.3
81.03417	3.7
81.07053	43.0
83.04974	4.4
83.08624	10.3
85.02906	5.4
85.06516	2.5
86.09713	2.5
91.03939	1.5
91.05482	19.4
93.07046	37.1
95.04969	4.7
95.08602	24.1
95.54519	1.3
97.02879	5.2
97.06516	4.9
97.10167	9.8
103.03942	1.3
105.07032	27.8
105.87181	1.3
107.04929	1.9
107.08594	36.4
109.06522	3.2
109.10152	28.6
110.68383	1.2
111.04473	1.3
111.08089	3.7
117.06992	9.2
119.08581	21.1
121.06498	1.6
121.10138	16.8
123.08067	2.1
123.11665	4.2
124.99966	1.6
125.09638	7.5
129.06996	3.2
131.08582	11.3
133.10135	17.9
135.08095	1.2
135.11697	18.8
137.09601	2.0
137.61290	1.1
139.11134	2.2
143.08549	3.6
145.10126	10.7
147.04410	3.6
147.11707	17.7
149.09642	2.1
149.13254	8.9
151.11153	3.2
153.09184	1.3
157.10129	3.7
159.11682	11.3
161.09601	1.2
161.13293	8.3
162.21696	1.2
163.03871	1.5
163.11099	3.0
163.14771	3.7
165.12755	1.5
169.12236	1.5
171.11690	3.0
173.11742	5.5
173.13275	5.0
175.14810	4.6
177.12787	2.1
179.14317	2.6
184.07359	4.9
185.13231	4.8
187.06000	1.3
187.14865	1.5
189.11240	5.6
189.12738	1.5
193.15958	1.3
195.13782	1.7
199.14804	3.5
226.76607	1.4
227.12758	4.9
229.14354	15.2
231.21042	2.6
241.19478	9.2
245.13811	2.6
259.20602	27.9
277.21600	27.8
333.24106	4.8
351.25299	100.0
369.26001	3.0
380.92130	1.4
407.54785	1.4
477.28784	1.7
495.29526	2.7
513.30536	4.4
521.89960	1.4
524.74945	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.3189
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.2
55.05511	4.1
57.03448	3.5
57.07067	1.4
59.58659	0.5
60.60271	0.4
62.06085	0.8
67.05505	6.2
69.07069	6.6
70.11201	2.5
71.04985	1.1
71.08624	3.8
78.40772	0.5
79.05496	4.2
81.07060	8.9
83.04953	0.9
83.08611	2.5
85.06545	0.7
91.05493	3.0
93.07041	5.8
95.04970	0.8
95.08041	0.8
95.08611	8.6
97.06551	1.9
97.10159	1.2
98.20846	0.9
98.98471	3.1
99.08098	2.6
105.07021	5.4
107.08588	7.1
109.06526	5.4
109.10148	2.2
111.08090	1.6
117.06995	0.8
119.08579	7.3
121.06595	0.5
121.10144	4.7
123.08078	11.9
123.11728	1.6
125.09624	1.9
131.08583	1.6
133.10138	7.2
135.08049	6.5
135.11700	2.8
137.09637	1.8
143.08627	0.6
145.10202	2.7
147.04474	1.1
147.07928	0.5
147.11697	5.7
149.09630	1.4
149.13287	1.6
157.10133	1.2
159.11722	2.0
161.09615	1.6
161.13255	1.9
165.12746	1.0
167.14322	1.3
173.13315	0.9
175.11159	0.7
175.14842	6.0
177.12794	2.8
177.16371	0.9
179.14316	19.7
187.14844	0.8
191.14330	1.2
193.12292	0.7
193.15875	1.4
199.14738	0.6
205.15804	3.5
216.06369	1.6
233.19046	0.6
247.20659	0.5
263.20169	1.3
275.20007	1.2
289.21680	5.7
293.21207	2.4
303.26834	1.1
319.22641	1.1
331.26340	11.5
337.23679	1.2
349.27380	6.3
357.27786	0.6
361.27609	0.6
369.28030	1.2
374.30487	2.2
375.29031	2.2
387.28879	4.8
405.29999	100.0
406.30154	2.6
485.26669	1.6
503.27817	5.2
546.32068	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	546.3193
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	1.4
55.05511	3.5
57.03441	3.3
57.07057	1.5
62.06081	0.8
64.49422	0.4
67.05511	5.4
69.03409	0.6
69.07067	6.6
70.23304	2.2
71.04985	1.1
71.08633	4.3
79.05497	4.3
81.03405	0.5
81.07063	11.1
81.54816	0.4
83.04974	1.0
83.08626	3.2
85.06551	0.8
91.05482	3.4
93.07043	6.7
95.04978	0.7
95.08604	8.7
97.06551	2.3
97.10147	0.7
98.98466	2.3
99.08102	2.1
99.94886	0.4
105.07041	5.8
107.08604	7.3
109.06528	5.8
109.10157	3.1
111.08086	1.2
117.07007	1.4
119.08582	8.1
121.10161	4.5
121.44896	0.4
123.08064	14.0
123.11712	1.9
125.09644	0.9
131.08553	2.4
133.10138	7.3
135.08072	7.6
135.11685	2.3
137.09625	1.6
137.13272	0.7
143.08562	0.9
145.10132	3.1
146.38792	0.4
147.04449	0.8
147.11694	5.1
149.09616	1.6
149.13269	2.2
151.11385	0.5
157.10115	0.8
159.11691	2.0
161.09651	1.6
161.13277	1.6
163.11255	0.8
165.12782	1.3
167.14307	1.1
171.11673	0.5
173.13292	1.6
175.11160	0.6
175.14827	5.9
177.12793	3.1
177.16386	1.0
179.12735	1.0
179.14313	20.2
187.14882	0.7
191.14326	0.9
193.15868	1.8
198.05336	0.6
202.64973	0.4
203.14314	0.5
205.15883	2.9
216.06412	2.1
231.15826	0.8
233.18855	0.4
263.20187	1.0
275.20026	0.7
289.21655	5.9
289.24805	0.6
293.21231	2.4
303.26855	1.0
313.25528	0.7
319.22693	1.5
331.26300	11.1
337.23770	1.6
347.25809	0.9
349.23456	0.8
349.27365	5.9
351.25436	0.4
357.27908	0.4
361.27625	0.6
369.28119	0.5
374.30554	2.0
375.28839	2.0
387.28937	4.8
405.30002	100.0
406.30444	1.1
406.85736	0.5
423.30771	0.6
485.26450	1.5
503.27594	6.1
528.30676	0.6
528.38031	0.7
545.00812	0.5
546.31653	2.5
546.38885	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3838
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.5
55.01868	4.8
55.05256	2.0
55.05510	22.9
57.03436	6.0
57.07073	1.6
64.60991	1.2
65.03944	2.2
67.05505	47.6
69.03417	4.3
69.07068	12.9
69.16379	1.3
69.90190	8.1
71.04986	4.8
79.05492	33.4
81.03415	21.4
81.07056	49.1
83.04979	7.1
83.08617	15.7
85.02920	7.3
85.06528	2.2
87.43710	1.3
91.04956	2.2
91.05479	25.2
93.07050	32.1
95.04967	15.6
95.08604	30.1
97.02902	1.6
97.06536	4.0
97.10143	10.7
99.08109	1.2
104.10744	1.3
105.07030	26.8
107.04958	5.1
107.08587	20.3
109.06541	5.0
109.10159	18.1
109.27206	1.3
111.08060	4.7
115.05427	2.3
117.07010	11.8
119.08573	22.3
121.06487	3.9
121.10139	14.9
123.08055	3.1
123.11707	7.5
125.09634	8.3
129.06979	7.3
131.08563	17.0
133.06502	3.3
133.10114	14.1
135.08057	2.8
135.11694	10.2
137.09628	2.7
142.07790	1.9
143.08562	5.5
143.73769	1.2
143.82100	1.2
145.06499	1.8
145.10130	15.5
147.08034	2.8
147.11665	11.8
149.09628	4.6
149.13255	3.5
155.08565	1.7
157.10153	6.3
159.11694	9.2
161.13286	4.7
163.11212	1.3
169.10158	2.8
171.11636	2.1
173.13281	8.4
175.11212	4.7
175.14856	2.7
183.11682	2.3
184.07494	2.1
185.13293	3.5
187.14832	3.7
189.11250	4.2
189.12770	1.3
189.16411	1.6
193.10533	2.4
193.12219	13.3
195.11714	2.0
197.13237	1.7
199.14897	1.8
201.16389	1.7
209.13161	1.2
211.13261	14.2
211.14920	1.6
227.12721	8.8
243.21019	2.2
261.22128	10.2
267.15891	14.9
275.20071	1.4
279.23257	1.5
285.22052	2.3
301.25259	9.4
303.23288	2.3
303.98438	1.6
317.24606	2.3
335.25778	11.3
359.25797	3.5
417.31390	1.9
435.27371	2.8
435.32605	5.4
453.33569	8.0
471.35034	6.5
475.31021	2.1
509.36557	3.1
527.37329	38.4
528.38135	2.0
545.38367	100.0
546.38916	2.3
564.46204	1.5
566.65002	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3841
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	1.0
53.03946	3.6
55.01868	3.3
55.05510	22.2
57.03437	8.3
57.07067	1.9
59.04993	0.9
65.03938	3.7
67.05504	51.1
69.03426	4.2
69.07064	13.5
71.04996	4.1
75.78432	0.4
77.03941	1.4
77.67985	0.5
79.05492	52.4
81.03419	34.2
81.03908	1.2
81.07056	47.6
83.04497	0.6
83.04984	10.2
83.08620	15.4
83.73198	0.5
85.02907	18.4
85.06537	2.0
89.76724	0.6
91.05481	37.6
93.07044	44.7
95.04969	21.8
95.08607	28.4
96.08870	0.5
97.02882	1.4
97.06514	3.7
97.10168	7.2
99.08102	0.8
103.05430	0.5
104.06261	0.5
105.04539	1.2
105.07030	27.0
107.04957	4.7
107.07865	1.2
107.08592	22.9
109.06527	4.6
109.10152	10.4
111.03775	0.6
111.04459	2.0
111.08083	6.4
113.06007	1.4
115.05454	1.2
117.07027	7.9
119.04982	0.6
119.08582	22.7
121.06521	2.5
121.10141	21.5
123.08057	2.8
123.11696	4.1
125.09621	3.1
128.06229	1.2
129.07011	6.9
130.07779	0.9
131.08565	16.1
133.06487	2.5
133.10130	13.0
135.08081	1.6
135.11705	9.7
137.09624	1.9
137.13303	0.8
141.06993	0.7
142.07780	2.3
143.08543	3.2
145.06540	0.5
145.10124	8.8
147.04425	1.5
147.08090	2.4
147.11688	12.5
147.12790	1.0
149.09644	3.5
149.13280	4.0
151.11194	0.8
153.09135	0.5
155.08621	1.3
157.08911	1.0
157.10121	9.3
159.11685	5.4
161.13240	3.6
163.11237	0.9
163.14877	1.4
165.12764	1.8
169.10158	2.7
171.11661	2.4
173.09708	0.5
173.13248	4.0
175.11209	6.7
175.14853	2.5
177.12695	0.8
181.10207	0.6
183.11729	1.5
184.07410	1.1
185.13271	2.0
187.14850	1.8
189.11252	2.0
189.16206	0.5
191.14317	0.7
193.12247	28.2
194.12553	0.6
199.14879	1.0
201.16409	0.9
209.13309	0.6
211.13283	32.8
225.16284	0.7
227.12709	2.4
227.17909	0.5
229.53596	0.6
243.21062	1.2
249.15012	0.9
259.20590	0.8
261.22137	5.2
267.15909	6.6
275.19757	0.5
285.16882	0.7
285.22119	1.2
301.25128	3.2
303.23129	1.3
315.23065	0.5
317.24878	1.4
335.25851	4.9
359.26016	1.1
405.29526	0.5
417.31372	1.0
435.27365	1.0
435.32523	2.5
453.33627	3.1
471.34918	2.7
485.12457	0.5
509.36234	1.2
527.37329	15.4
545.38361	100.0
546.38983	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	545.3838
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.5
55.01856	2.3
55.05511	13.0
57.03442	4.5
57.07066	2.3
59.04991	1.2
65.03937	1.9
66.64735	0.6
66.69897	0.7
67.05505	39.4
69.03416	1.5
69.07066	10.2
71.04982	3.2
71.08624	0.9
79.05493	22.6
79.05953	1.3
80.05814	0.8
81.03414	5.4
81.07057	41.9
83.04991	4.0
83.08616	8.7
85.06542	3.2
91.05481	22.5
93.07043	25.2
95.04967	7.0
95.08606	25.2
95.32507	0.7
97.06542	3.7
97.10159	5.1
98.84692	0.7
99.08107	0.9
103.62978	0.8
105.04550	0.7
105.07028	23.4
107.04940	3.3
107.08601	16.7
108.83751	0.8
109.06525	3.7
109.10149	12.8
111.08087	2.6
115.05435	1.2
116.62717	0.8
117.07005	9.6
119.08575	20.3
121.06527	2.6
121.10146	13.2
123.08069	2.4
123.11704	5.8
125.09624	4.9
128.06221	1.0
129.07007	6.1
130.07744	1.0
131.08565	17.7
133.06488	1.7
133.10139	13.3
135.08080	2.6
135.11670	5.7
137.09564	1.2
137.13292	1.0
139.11179	1.3
141.07002	1.4
143.08592	7.2
145.06422	1.5
145.10124	14.8
147.04436	1.0
147.08049	2.5
147.11684	13.4
149.09631	1.9
149.13293	3.8
151.11127	1.4
153.12727	1.0
155.08568	3.3
156.09323	1.0
157.10124	8.4
159.08138	0.8
159.11697	11.1
161.09631	1.9
161.13240	4.9
163.11234	2.6
163.14897	1.0
165.12709	3.8
167.08531	1.4
169.10098	4.8
171.11670	6.4
173.09569	1.7
173.11856	1.5
173.13223	7.0
175.11205	3.2
175.14842	3.5
177.12749	2.1
181.10170	1.7
183.11690	2.6
185.13240	4.7
187.11188	1.6
187.14847	3.1
189.11182	1.4
189.12680	1.2
193.12238	1.5
195.11726	1.8
197.13271	2.3
199.13120	0.8
199.14862	2.8
201.16373	1.0
203.14314	1.2
209.13359	1.6
209.15123	0.7
215.17944	0.9
223.14871	1.0
225.16460	1.2
227.12753	2.9
227.17972	1.5
229.14388	2.6
233.15524	0.9
237.16469	1.1
239.17981	1.1
243.15866	1.3
245.19070	2.1
259.20584	2.3
261.18619	0.7
261.22141	4.3
267.15891	16.7
269.17542	1.8
273.18164	1.0
285.22147	3.0
287.20142	1.0
289.21518	1.5
297.21970	1.1
299.20648	1.0
299.23608	3.9
301.21741	1.8
301.25287	3.0
309.22116	0.7
315.23254	1.3
317.24857	0.9
327.23221	1.0
329.25012	1.1
333.24219	0.9
335.26001	3.9
341.24847	1.2
352.16010	0.7
359.25772	1.5
373.27280	0.8
417.26257	0.9
417.31415	1.9
423.28040	0.8
425.34232	1.2
435.32617	7.2
453.33652	9.3
471.34863	8.1
501.36041	0.8
509.36441	2.2
517.38538	1.5
527.37286	42.3
528.37756	1.4
545.38367	100.0
546.38757	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	545.3838
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56443	0.8
53.03944	2.6
55.01864	2.9
55.05512	13.5
57.03436	5.0
57.07066	2.1
65.03944	2.6
67.05504	45.2
69.03458	1.6
69.07063	12.2
69.39629	3.3
69.40051	6.7
71.04989	4.2
73.92314	0.9
79.05489	27.7
81.03416	4.6
81.07056	49.9
83.04965	3.2
83.08616	9.7
85.06551	2.6
88.79132	0.9
91.05477	27.7
93.07041	33.4
95.04971	6.8
95.08605	29.1
97.06522	3.9
97.10157	5.1
103.05501	1.3
105.07027	27.7
107.04961	2.0
107.08594	21.5
107.27219	1.0
109.06498	4.2
109.10155	16.6
111.04518	1.2
111.08131	2.6
115.05476	2.3
117.07012	12.7
119.08580	23.7
119.85034	1.0
121.06500	3.0
121.10143	16.9
123.08080	2.9
123.11704	5.9
125.09588	2.9
128.06219	1.4
129.06969	7.6
131.08568	18.5
133.06479	1.6
133.10110	14.1
135.08075	3.5
135.11694	10.6
137.09601	1.7
137.11696	1.0
137.13248	2.1
141.06964	1.5
142.07814	1.3
143.08582	5.2
144.09366	1.1
145.10127	18.7
146.10739	1.1
147.04420	1.3
147.08067	2.1
147.11674	16.0
147.12770	1.6
149.09630	2.5
149.13290	4.6
151.11255	2.0
155.08572	3.8
156.09323	1.5
157.10109	8.1
159.11681	10.0
161.09628	2.3
161.13264	5.2
163.11209	4.7
163.14784	2.0
165.12714	2.7
167.08571	1.7
169.10144	4.5
171.11696	6.2
173.13246	8.9
175.11122	1.3
175.14818	1.9
181.10075	1.3
182.10797	1.2
183.11690	4.4
183.13878	1.5
185.13257	5.7
187.11153	1.7
187.14844	4.2
189.11244	1.3
193.12248	2.6
195.11624	2.3
197.13214	2.5
199.14859	2.9
201.16377	1.6
209.13353	1.6
211.13306	1.7
221.13008	1.2
223.14893	1.7
227.12759	9.2
229.14355	2.4
243.21150	1.7
245.19054	1.9
259.20599	3.6
261.22171	4.4
267.15915	14.3
269.17435	2.4
283.19012	2.2
285.22079	2.0
289.21576	1.3
299.23663	2.2
301.21793	2.0
301.25211	2.4
315.23129	1.2
317.24631	1.3
319.22687	1.8
327.23019	1.5
335.25757	5.1
359.26123	1.2
367.25977	1.6
417.31549	1.9
435.32468	8.0
453.33798	10.2
471.34839	9.1
473.33191	1.5
489.36246	1.3
509.36160	3.1
527.37347	46.6
528.37921	1.6
545.38373	100.0
546.38690	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	545.3837
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	0.7
53.03944	3.4
55.01875	2.8
55.05512	17.2
57.03440	6.2
57.07068	1.1
59.05000	0.8
65.03935	2.8
67.05503	43.9
69.03432	3.3
69.03743	0.5
69.07067	10.6
69.52828	0.4
69.53122	4.4
71.04993	3.9
74.26770	0.5
77.03928	0.5
78.04784	0.5
79.05492	39.7
81.03419	31.7
81.03909	1.0
81.07056	43.8
83.04977	7.8
83.08617	14.9
85.02901	16.2
85.06536	1.9
88.21107	0.4
91.05480	33.5
93.07040	40.7
95.04359	0.9
95.04967	18.5
95.08603	26.0
97.02902	1.0
97.06516	4.7
97.10170	5.0
99.08090	1.2
103.05479	1.0
105.04512	0.5
105.07028	24.6
107.04952	3.7
107.08590	21.5
109.06520	3.7
109.10152	10.8
111.04479	1.6
111.08064	5.8
113.05991	2.1
115.05469	1.3
117.07021	5.9
119.08575	21.8
119.09451	0.6
121.06528	2.1
121.10140	17.2
123.08059	2.6
123.11684	3.3
125.09595	3.1
128.06274	0.8
129.07004	7.4
131.08565	14.5
131.09518	1.0
133.06506	2.4
133.10127	12.4
135.08018	0.8
135.11678	8.0
137.09639	1.3
141.06998	0.5
142.07816	1.9
143.08603	2.2
145.10118	7.2
147.08047	2.0
147.11687	10.6
149.09610	3.8
149.13275	3.3
155.08548	1.0
157.10144	7.6
159.07884	0.6
159.11691	6.2
159.50005	0.6
161.09656	0.5
161.13272	3.0
163.11172	0.7
163.14859	1.3
165.12775	1.9
169.10146	1.5
171.11728	1.6
173.09564	0.5
173.13220	3.6
175.11188	7.1
175.14856	1.7
181.10133	0.9
183.11777	1.1
185.13301	1.4
187.13324	0.5
187.14827	1.8
189.11224	2.0
189.16368	0.6
193.12236	27.8
197.13277	0.9
199.14879	1.1
201.16422	1.4
211.13277	31.7
225.16409	0.5
227.12801	1.7
229.14360	0.6
243.21164	1.2
249.14883	1.0
259.20505	0.6
261.22131	4.8
267.15918	4.9
273.22214	0.5
279.23251	0.6
283.10095	0.6
285.16928	0.8
285.22192	1.0
299.23807	0.5
301.25272	3.6
317.24741	0.9
329.76984	0.6
335.25922	4.4
417.31381	0.6
435.32639	2.2
453.33640	3.0
471.34778	1.5
509.36676	1.0
527.37341	15.1
545.38361	100.0
546.38660	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	545.3836
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00969	1.0
53.03944	2.3
55.01866	4.4
55.05258	1.7
55.05508	21.8
57.03436	5.7
57.07065	2.7
59.05005	1.1
65.03951	1.5
67.05503	43.0
69.03427	3.1
69.07069	10.8
70.02322	5.3
70.39314	1.0
71.04992	3.1
79.05492	28.4
81.03419	17.0
81.07057	40.0
83.04977	4.2
83.08616	13.2
87.98636	1.1
91.05473	20.0
93.07041	26.7
95.04970	15.1
95.08600	27.6
97.06528	3.9
97.10171	12.6
99.08114	1.4
100.83145	0.9
103.05468	1.2
105.07027	21.2
107.04966	4.2
107.08589	19.6
109.06529	3.9
109.10152	15.7
111.08080	3.8
115.05432	1.2
117.07025	9.2
119.08580	17.2
121.06482	5.3
121.10144	9.8
123.08053	3.7
123.11700	5.1
125.09644	11.5
129.06995	6.7
131.08562	15.9
133.06488	1.6
133.10143	12.9
135.08058	5.5
135.11691	8.8
137.09628	2.1
137.13272	1.7
141.07036	1.6
142.07800	1.5
143.08556	5.1
143.10638	1.3
145.10112	11.3
147.08090	2.9
147.11688	9.4
149.09648	3.0
149.13246	4.2
153.12886	1.0
155.08530	2.2
157.10109	8.3
159.08034	1.5
159.11705	9.3
161.09595	1.4
161.13264	5.0
163.11176	3.5
163.14828	1.7
169.10162	2.3
171.11667	5.3
173.09671	1.3
173.11824	1.7
173.13200	6.2
175.11218	4.6
175.14850	3.2
183.11697	2.9
185.13260	3.7
187.11208	1.2
187.14836	3.6
189.11240	8.6
189.16464	1.3
193.12218	7.0
197.13321	2.2
199.14857	2.6
201.16438	2.4
205.12332	1.0
209.13184	1.4
211.14917	2.1
213.16310	1.6
227.12755	13.0
227.17940	1.1
233.15422	2.4
242.49867	1.1
243.15872	1.0
243.21091	1.6
247.16896	1.6
249.14809	1.7
249.18671	1.1
261.19553	1.4
261.22119	8.6
267.15930	21.7
273.22272	1.9
275.20206	1.0
279.19678	1.0
279.23318	1.8
285.22141	2.4
287.20184	1.7
301.21997	1.2
301.25235	12.7
303.23367	1.3
313.21329	1.1
317.24625	1.2
329.21457	1.2
335.22031	2.0
335.25793	14.0
359.25702	1.7
403.24542	2.3
417.31491	1.4
421.25754	3.8
435.27438	1.6
435.32681	4.6
453.33707	10.0
471.34622	9.5
475.30814	1.1
501.35660	1.6
509.36151	2.8
527.37335	52.6
545.38348	100.0
546.38788	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1993
Annotation	Bistratamide H
Peak:m/z	Relative Intensity
63.84377	0.3
68.05915	0.3
70.09094	0.5
70.09501	1.1
71.05000	0.4
81.92658	0.2
82.58862	0.3
85.02906	0.3
98.21733	0.3
105.06973	0.3
123.08054	0.3
131.04900	0.3
135.41522	0.3
137.06000	0.9
138.06310	0.4
163.03886	0.3
170.05467	0.4
203.05267	0.9
227.90982	0.3
327.09207	0.3
365.13660	0.6
545.19946	100.0
545.33337	3.2
546.20166	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3839
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.6
55.01860	3.4
55.05512	21.5
57.03431	5.5
57.07074	2.6
59.04999	1.9
65.03923	2.4
67.05507	48.1
69.03432	2.9
69.07075	12.2
70.68587	2.5
71.05003	3.3
71.08160	1.1
79.05495	29.9
81.03420	16.2
81.07059	52.4
83.04994	3.3
83.08627	18.9
85.06559	3.5
91.05482	25.2
93.07050	31.8
95.04971	15.2
95.08607	30.5
97.06533	3.2
97.10178	12.6
105.07033	26.5
107.04969	6.4
107.08598	20.0
109.06516	5.3
109.10152	17.2
111.08108	3.8
113.06017	1.2
115.05465	1.5
117.07038	15.2
119.08591	21.4
121.06513	5.5
121.10144	12.4
123.08076	3.0
123.11732	5.5
125.09602	8.9
129.07047	6.5
131.08571	18.7
131.09520	1.9
133.06477	2.7
133.10139	16.3
135.08104	4.0
135.11685	7.9
137.09633	3.2
141.07027	2.0
143.08533	6.2
145.10138	14.5
147.08102	2.0
147.11678	13.8
149.09653	3.3
149.13300	6.3
155.08546	3.1
157.10176	6.7
159.08049	2.3
159.11684	10.9
161.13313	6.5
163.11189	2.4
169.10194	4.9
171.11719	6.5
173.11934	1.5
173.13258	8.7
175.11189	3.1
175.14885	3.1
181.10106	2.3
183.11723	3.6
185.13258	4.6
187.11172	1.7
187.14812	3.7
189.11247	6.6
189.16431	1.3
193.12257	6.0
197.13310	2.2
199.14842	2.4
201.16432	1.6
203.14497	1.7
209.13403	1.8
213.16374	2.2
223.14850	1.4
225.16414	1.8
227.12810	9.3
243.15839	1.8
243.21185	2.9
247.16966	1.9
249.14783	1.4
259.20740	2.2
261.22131	8.7
267.15924	21.3
279.23090	1.6
285.22232	1.9
287.20221	3.0
297.22073	1.7
299.23792	2.8
301.21854	2.0
301.25214	13.5
303.23175	2.0
321.20514	2.0
329.21091	1.8
335.25870	11.1
417.31464	1.7
421.25845	3.6
435.27567	1.8
435.32449	6.6
453.33731	9.4
453.71021	1.3
471.34647	8.7
475.30762	1.4
509.36597	2.1
527.37311	52.2
528.37976	1.9
545.38379	100.0
546.38812	2.8
554.97015	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.3115
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01580	0.8
51.02375	2.5
53.03946	12.3
55.01860	2.5
55.05510	32.2
56.05025	3.4
56.96555	1.4
57.03439	4.6
58.06595	1.5
59.04988	0.7
59.70636	0.6
61.02924	16.8
65.03930	1.6
67.05502	18.2
68.05025	5.6
69.03426	8.3
69.05799	0.7
69.07058	8.1
69.54945	2.6
69.55373	3.1
70.06586	2.3
71.04996	1.2
72.04498	0.8
72.08120	0.7
73.02907	5.5
77.03910	1.4
79.05487	95.7
79.64343	0.7
80.05011	3.1
81.03411	4.9
81.07051	15.9
82.06570	5.6
82.07359	0.9
83.04987	1.5
83.08614	8.0
84.08153	1.4
85.02905	14.5
87.04468	0.9
89.18362	0.7
91.03956	8.3
91.05476	35.8
92.05011	1.1
93.05790	1.4
93.07038	37.2
93.38190	0.6
94.06563	3.4
95.04963	28.1
95.08598	9.5
96.04517	0.9
96.08123	1.5
97.02883	11.5
97.10163	18.0
97.10773	1.2
98.09677	1.4
98.48865	0.8
99.04479	2.4
101.02370	1.4
103.03912	0.7
103.05441	0.8
104.01540	0.7
105.04508	4.9
105.07036	6.1
106.06567	4.0
107.04935	1.1
107.08595	12.0
108.08141	1.6
109.02885	1.0
109.06503	1.3
109.10152	8.4
110.06059	0.7
110.09740	0.7
115.03945	0.9
117.07013	2.3
118.06551	2.1
119.04907	1.4
119.07304	1.1
119.08588	4.8
120.08097	1.8
121.10140	14.9
123.08054	0.8
124.11230	5.1
125.09622	19.3
127.03922	3.9
129.06955	1.0
131.08537	4.3
132.08046	0.7
133.09135	0.8
133.10162	2.0
134.09651	1.5
135.08075	3.0
135.11685	1.3
136.11229	4.3
138.12772	66.8
143.10687	3.1
145.04939	1.9
145.10165	2.0
146.09622	1.1
147.04385	3.7
147.08046	2.7
147.11670	1.3
148.11201	2.7
149.09679	1.1
153.09158	1.5
157.10150	1.1
159.11684	1.3
162.12782	1.2
163.11205	0.8
170.11772	12.2
171.10182	1.5
171.11652	1.0
176.14355	2.7
189.11211	11.4
194.15421	0.9
199.13295	1.4
203.05811	0.7
204.13849	6.3
222.14876	4.0
227.12822	2.1
245.13875	1.0
255.17416	1.0
264.16080	0.7
272.19992	3.0
273.18448	1.8
282.16931	2.0
290.21127	71.2
291.21646	0.8
298.09668	0.8
308.22107	3.9
346.23987	1.0
354.64999	3.5
355.15140	1.7
357.15387	1.1
364.24799	100.0
365.25278	1.2
369.08228	1.2
382.25864	29.0
387.09222	1.9
392.23972	1.7
403.28293	2.6
427.82718	0.6
429.20917	1.0
448.26810	1.5
466.27719	2.0
508.29059	1.5
526.30133	15.9
544.30652	3.9
566.48431	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.3116
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.9
55.01861	1.0
55.05511	8.5
56.05033	5.9
57.03445	4.1
57.07073	1.2
61.02927	15.5
65.03917	3.0
67.05505	27.3
68.05011	1.6
69.03421	3.4
69.07068	40.2
70.02940	1.0
70.06565	2.0
70.56612	2.4
70.56967	0.7
71.06248	0.8
73.02925	4.5
79.05489	20.5
80.05025	7.6
81.03373	1.7
81.05791	0.8
81.07060	24.8
82.06578	3.6
83.08617	5.3
85.02911	12.8
86.37379	0.7
87.08094	1.4
91.03954	7.7
91.04975	1.0
91.05481	15.6
92.05006	9.9
93.07043	31.1
94.06569	9.1
95.04941	3.3
95.08606	9.4
96.08138	3.9
97.02892	7.9
97.06491	1.5
97.10155	2.8
98.06005	1.4
99.04445	1.0
101.45534	0.7
103.05468	1.6
105.07022	10.4
106.06553	10.6
107.08592	20.0
108.08102	6.4
109.06546	1.0
109.10157	14.2
110.09644	2.7
111.08061	1.2
115.03901	1.1
115.05448	1.1
117.07019	13.9
118.06519	3.0
119.04912	2.3
119.07307	1.5
119.08562	4.4
120.08105	14.6
121.10152	3.7
122.05979	0.9
122.09618	3.0
123.08040	0.8
123.11707	0.8
127.03873	2.3
129.06992	2.2
130.07762	1.0
131.08574	10.5
132.08080	2.1
133.09128	0.7
133.10091	4.3
134.09657	13.1
135.10471	1.2
135.11679	4.8
141.06944	1.4
143.08533	0.8
144.08144	1.6
144.09282	1.6
145.04961	2.0
145.10146	1.4
146.09724	1.4
147.04411	7.3
147.10458	1.8
147.11624	1.4
148.11200	6.7
149.13254	12.0
153.12689	1.7
157.10161	1.5
158.09631	1.0
159.11688	10.2
161.11986	1.4
174.12779	1.6
176.14339	20.8
177.12753	13.2
186.12703	2.5
194.15414	14.9
204.13869	3.9
211.13329	0.9
212.16356	2.4
218.17842	0.7
222.14885	97.0
223.04559	2.4
223.15041	0.9
239.02242	1.7
241.05606	6.0
257.03275	1.8
258.03720	0.9
268.19159	3.9
272.20132	1.3
273.02823	0.9
278.17514	100.0
290.21085	4.4
296.18588	1.2
339.14328	2.6
351.07285	0.9
357.15466	11.4
364.24832	13.8
369.08255	1.0
380.17081	2.1
382.25873	67.1
387.09103	1.3
544.31238	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	543.3681
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03945	0.8
50.75649	1.2
53.03942	3.5
55.01862	3.7
55.05510	16.8
56.96553	2.2
57.03453	2.2
57.07063	1.5
62.62007	0.9
65.03938	2.9
67.05505	36.1
69.03424	2.1
69.07069	9.4
69.89460	6.1
71.04995	2.5
72.74988	0.9
73.02914	1.1
79.05492	43.8
81.03402	3.3
81.07056	41.4
83.04965	4.6
83.08609	7.5
85.06541	1.2
90.07951	1.0
91.05479	20.8
93.07043	58.5
95.04974	12.3
95.08601	43.3
97.02903	4.3
97.06519	3.5
97.10159	2.9
99.04491	2.2
103.05468	2.4
105.04535	1.5
105.07027	15.8
107.04931	8.0
107.08594	32.9
109.06525	2.5
109.10162	7.6
111.08096	1.8
117.07007	11.0
119.08583	12.6
121.06471	5.7
121.10143	18.7
123.08147	1.4
125.06001	2.9
125.09600	2.0
129.07019	2.2
130.07782	1.8
131.08569	8.2
133.10146	8.2
135.08067	2.7
135.11688	41.9
137.13264	1.3
139.07503	1.8
143.08575	2.6
145.10124	27.1
147.08087	1.2
147.11726	3.4
149.13278	4.0
150.85277	0.9
151.36212	0.9
153.12677	1.3
157.10176	2.2
159.08139	1.1
159.11705	4.2
161.13330	1.4
163.11179	46.4
169.10109	1.0
170.79301	1.0
173.13312	2.9
175.14821	1.2
181.12239	10.0
185.09552	1.7
209.11784	2.0
227.12773	96.7
239.02324	2.5
243.21164	1.5
257.03372	4.0
258.03568	1.0
261.22119	5.9
283.15305	1.7
294.06406	1.0
317.24820	1.8
403.07047	1.3
404.07434	1.1
415.50403	1.0
424.38913	1.0
451.32285	1.1
469.33310	1.4
525.35645	4.4
543.36835	100.0
544.37238	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3679
Annotation	Methyl camaralate
Peak:m/z	Relative Intensity
50.80404	0.4
51.02370	0.7
53.03929	2.2
55.01869	3.4
55.05506	15.6
57.03432	3.1
57.07058	1.1
59.05004	1.2
65.03920	1.6
67.05501	25.6
69.03411	1.3
69.07066	7.6
69.64162	0.7
69.64510	3.6
71.01358	0.4
71.05000	2.3
77.03891	0.5
79.05488	21.9
81.03410	6.2
81.07050	23.5
82.07366	0.4
83.01321	1.3
83.04975	4.7
83.08141	0.6
83.08614	10.0
85.02895	0.9
85.06532	1.4
91.04897	0.6
91.05474	17.0
93.07037	22.4
95.04961	6.3
95.08605	14.1
97.02914	0.6
97.06512	2.4
97.10165	10.1
99.08083	1.2
105.07020	14.7
105.43761	0.4
107.04936	2.6
107.07861	0.8
107.08588	14.6
109.06496	3.0
109.10152	9.3
111.04440	1.1
111.08086	2.4
115.05438	0.9
117.06214	0.8
117.07009	9.9
119.08571	12.6
121.06500	2.0
121.10130	8.4
123.08024	2.5
123.11681	2.0
125.05959	0.7
125.09630	7.9
128.06209	1.2
129.06995	6.7
130.07805	1.1
131.04918	0.8
131.08557	14.4
133.06487	0.9
133.10117	8.9
135.08044	2.1
135.11679	7.2
137.09621	0.9
137.13245	0.5
139.11302	0.4
141.06978	2.4
142.07785	0.9
143.08553	5.7
144.09331	0.5
145.06473	1.9
145.09024	0.9
145.10121	12.7
147.08043	1.3
147.11702	5.2
149.09602	1.4
149.13272	2.4
151.11151	0.4
153.09087	1.2
153.12752	1.9
155.08543	4.1
156.09401	0.7
157.10133	5.9
159.08041	1.0
159.11673	8.9
159.12860	0.8
161.09590	0.9
161.13232	3.7
163.11160	6.4
167.08540	1.6
168.09363	0.6
169.10086	4.0
170.10901	0.5
171.08131	0.7
171.10252	1.0
171.11653	5.6
173.09602	1.4
173.11874	0.7
173.13258	6.4
175.11218	0.8
175.14758	1.1
179.08615	0.8
181.10080	1.5
181.12204	1.1
183.11658	3.6
185.09636	1.5
185.13264	4.0
187.11154	1.4
187.13419	0.6
187.14812	3.3
189.11220	3.8
189.12692	0.9
191.10612	1.1
193.12289	1.5
195.11656	1.6
195.13474	0.4
197.13231	2.9
199.11189	0.7
199.14767	2.7
201.12782	0.8
201.16391	1.2
207.11655	0.5
209.11642	1.1
209.13309	1.5
211.11386	0.6
211.13095	0.9
211.14815	1.2
213.12762	1.1
213.16370	0.9
215.18066	1.0
217.15782	0.5
221.13139	0.6
223.14922	1.2
225.16463	0.7
227.12666	5.6
233.13135	0.6
235.14905	0.7
237.16359	0.8
239.18076	0.6
241.19652	0.5
249.16505	0.6
253.19647	0.5
259.20389	2.2
259.91684	0.4
261.16190	0.5
261.22076	2.2
265.19586	0.9
267.15909	1.7
271.17023	0.5
277.21646	0.8
283.20670	1.3
285.18387	0.7
297.18857	0.5
297.22147	1.3
299.20389	0.9
299.23608	8.8
301.21539	1.0
307.20514	0.6
313.21622	0.6
315.23254	0.7
317.24771	1.1
325.21655	0.5
333.24246	1.4
335.26041	0.5
339.23505	1.0
355.26279	1.1
357.24268	1.1
405.31610	0.8
415.30057	1.0
421.26010	0.5
423.32581	1.2
433.31091	5.0
451.32043	7.7
469.33240	5.1
487.33942	1.9
499.33899	0.6
507.34717	1.1
508.95169	0.5
515.37396	1.3
525.35693	16.5
543.36768	100.0
544.37067	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3682
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02352	1.0
53.03908	2.1
53.74607	0.5
53.84986	0.5
55.01870	3.4
55.05508	13.0
56.94739	0.5
57.03411	1.9
57.07046	1.3
59.83035	0.5
65.03906	1.9
67.05501	31.0
68.92054	0.6
69.03429	2.3
69.07065	9.7
69.34524	5.0
71.04990	2.6
73.02892	0.9
73.53220	0.4
77.03911	1.0
79.05489	41.4
81.03381	2.2
81.07056	32.2
83.04968	3.3
83.08622	8.4
85.06525	1.0
91.04893	0.7
91.05475	21.8
93.07040	56.2
94.07370	0.5
95.04970	11.0
95.08602	43.3
97.02880	3.3
97.06532	3.5
97.10147	2.0
99.04485	3.0
100.78246	0.5
103.05437	1.0
105.04511	0.6
105.07028	15.8
107.04955	8.4
107.08590	34.2
109.06512	2.6
109.10146	7.6
111.04381	0.8
111.08055	1.2
115.05431	1.5
117.06225	0.7
117.07002	12.1
119.08572	12.2
121.05783	0.5
121.06510	5.3
121.10134	18.7
123.11709	1.1
125.05958	2.2
125.09617	0.5
129.06995	1.1
130.07756	2.7
130.98318	0.4
131.08568	6.1
133.10132	5.8
133.17937	0.5
134.27008	0.5
134.92169	0.5
135.08029	1.9
135.11684	45.2
139.07516	1.7
143.08492	1.6
145.10112	29.2
147.11691	2.7
149.13228	3.1
153.12759	0.6
155.08638	0.6
157.06514	0.5
159.11699	3.1
161.13240	1.8
163.11176	49.0
171.11676	0.5
173.09555	0.8
173.13254	2.2
175.14819	1.0
181.12227	10.4
185.13315	0.6
187.14809	0.6
204.83434	0.5
209.11690	2.0
227.12769	100.0
232.66612	0.5
243.21027	1.3
261.22144	5.4
283.15448	1.3
302.47025	0.5
317.24857	2.4
417.86667	0.5
418.29941	0.5
469.33151	0.7
525.35895	1.3
543.36804	82.0
544.37262	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3679
Annotation	Methyl camaralate
Peak:m/z	Relative Intensity
55.01864	3.4
55.05510	15.0
57.03432	3.4
57.07052	1.8
59.04985	1.0
65.03937	1.2
65.23965	0.9
65.88731	0.8
67.05501	19.4
69.03421	1.9
69.07070	6.3
71.04984	1.9
71.52182	1.2
74.69942	0.8
74.70359	0.8
79.05490	18.3
81.03416	4.9
81.07053	26.1
83.04983	3.6
83.08618	8.5
85.06529	0.9
91.05479	14.9
93.07042	18.6
93.90001	0.8
95.04973	6.8
95.08605	12.9
97.06516	1.7
97.10173	9.7
99.08091	0.9
103.05567	0.7
104.74781	0.8
105.07035	14.0
107.04958	2.0
107.08601	9.2
109.06499	2.3
109.10155	8.8
111.04469	1.0
111.08084	1.6
114.11963	0.8
115.05396	1.2
117.07017	7.4
119.08585	12.4
121.06529	1.1
121.10133	5.9
123.08019	1.4
123.11711	2.5
125.09609	7.1
128.06213	1.9
129.07004	6.9
131.08566	12.2
133.06523	1.1
133.10112	6.9
135.08035	2.0
135.11700	3.7
135.42148	0.8
137.13281	1.8
141.06953	2.3
142.07805	1.4
143.08553	6.5
145.06500	1.5
145.10118	13.4
147.08051	1.3
147.11667	4.5
149.09569	1.0
149.13237	1.4
153.09093	1.0
155.08505	4.2
156.09392	1.6
157.06509	0.9
157.10103	6.5
159.08055	1.8
159.11693	7.9
161.09618	1.3
161.13301	2.8
163.11209	3.0
165.17918	1.0
167.08557	1.5
169.10130	4.9
171.08105	1.1
171.11656	6.7
173.09636	2.2
173.13280	5.4
175.11226	1.6
175.14775	1.0
181.10170	1.9
181.12215	1.4
182.11023	0.9
183.11728	3.3
185.13261	4.8
187.11107	1.1
187.14848	2.8
189.11162	4.3
193.12057	1.4
195.11696	3.3
197.09682	1.0
197.13245	3.1
199.14844	3.2
207.11749	1.0
209.13322	2.2
211.14827	1.3
213.12724	1.2
214.53096	1.0
221.13347	1.3
223.14777	1.8
227.12746	9.0
239.02342	2.6
253.19334	1.0
257.03281	2.9
259.20578	1.4
261.22220	1.2
265.19403	1.3
267.15988	2.7
283.20596	2.0
297.22177	1.3
299.20679	1.2
299.23724	7.3
301.21619	1.5
307.67838	0.9
311.20364	0.9
315.23233	1.0
317.24750	1.2
333.24426	1.9
349.62378	0.9
357.24530	1.3
385.05707	1.2
415.30029	1.1
423.32687	1.2
433.30963	3.7
451.32147	7.1
469.33209	4.7
487.34387	1.8
507.34769	1.3
515.37799	1.0
525.35742	19.8
543.36798	100.0
544.37048	1.2
567.61523	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3682
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.6
55.01866	2.4
55.05511	12.3
57.03408	1.9
57.07046	1.6
60.97145	0.5
65.03943	2.3
67.05503	33.6
69.03410	1.6
69.06721	0.8
69.07065	8.8
69.40237	4.8
71.04984	2.9
77.03863	1.0
79.05489	43.0
81.03387	1.8
81.07056	34.5
83.04974	4.4
83.08616	7.5
85.06525	1.0
91.05479	20.3
93.07040	57.6
95.04967	9.7
95.08604	42.8
97.02879	3.1
97.06524	3.2
97.10139	1.8
99.04452	3.2
103.05465	0.8
105.04512	0.7
105.07033	14.0
107.04945	6.5
107.08590	32.3
109.06525	2.6
109.10146	6.9
111.04410	0.6
111.08048	1.9
115.05447	1.2
117.06222	0.7
117.07015	11.3
118.66517	0.5
119.08575	12.5
121.06500	6.9
121.10139	19.1
123.08054	0.6
123.11685	1.2
125.05958	1.8
125.09572	0.9
128.06236	0.5
129.07004	1.2
130.07745	1.8
131.08575	5.1
133.10109	5.3
135.08040	2.2
135.11691	43.6
137.09586	0.8
139.07492	1.5
143.08525	1.7
145.10118	26.1
147.11665	2.3
149.13274	3.1
153.12733	0.8
159.11691	2.5
161.13196	2.4
163.11176	50.6
173.13219	1.8
175.14801	0.7
181.12219	10.5
187.14822	1.2
209.11746	1.4
227.12775	100.0
228.13097	0.6
243.21030	1.6
261.22180	4.2
283.15350	0.8
290.77951	0.5
317.24692	1.4
449.30325	0.5
451.32513	0.5
469.33017	0.6
525.35913	0.6
543.36810	77.8
544.37500	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3679
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	0.7
53.03925	2.7
54.90755	0.6
55.01852	2.8
55.05512	13.2
57.03410	2.8
57.07056	1.1
64.35279	0.6
65.03911	1.5
66.04713	0.7
67.05504	32.7
68.19602	0.7
69.07071	8.4
71.04964	2.1
71.60455	0.7
71.60838	0.9
73.02913	0.6
77.03922	0.9
79.05492	40.0
81.03395	2.0
81.07056	33.2
83.04976	3.7
83.08611	7.7
91.05478	21.5
93.07043	53.1
95.04966	9.2
95.08606	38.1
97.02885	3.4
97.06528	3.1
97.10154	2.2
99.04430	2.6
103.05434	1.1
105.07027	12.3
107.04947	7.9
107.08593	35.3
108.08902	1.3
109.06497	2.1
109.10154	7.2
111.08078	1.1
117.07016	10.9
119.08578	12.3
121.06523	4.6
121.09332	1.2
121.10145	16.6
123.08036	0.9
123.11707	1.7
125.05973	1.7
125.09575	0.9
129.06993	1.5
130.07782	2.2
131.08574	6.4
133.10143	5.6
135.08051	1.3
135.11696	45.7
136.12007	2.4
137.13228	1.1
139.07561	1.0
143.08525	1.4
145.10117	24.7
147.11691	3.7
149.09566	0.8
149.13232	2.3
153.12761	0.9
159.11737	3.2
161.13240	1.3
163.11179	46.0
164.11684	0.8
173.09605	1.0
173.13182	2.3
175.14816	1.2
181.10771	1.0
181.12247	11.4
185.13287	0.7
187.14784	1.3
209.11711	1.4
227.12781	100.0
228.13132	1.2
243.21030	1.3
258.03564	0.6
261.22153	5.5
283.15445	0.9
299.23810	1.3
317.24725	2.6
433.31006	0.8
451.32111	1.2
511.98767	0.7
525.35815	2.4
543.36804	85.8
544.36865	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3142
Annotation	Tricalysioside R
Peak:m/z	Relative Intensity
67.05500	0.6
69.03421	0.4
71.04978	0.4
71.59023	0.4
71.59412	0.4
78.02088	0.3
81.07049	0.5
85.02901	0.8
91.05486	0.5
93.06995	0.6
95.08615	0.5
97.02874	0.5
106.11297	0.4
107.08571	0.4
119.08572	0.4
137.05994	0.5
147.04469	0.5
151.07449	0.4
161.05890	0.4
163.03894	0.8
163.07545	0.4
185.04233	1.9
204.13799	0.3
214.44969	0.3
292.73511	0.4
298.60202	0.4
345.23868	1.6
363.25024	8.2
381.26105	42.5
399.59265	0.3
543.31396	100.0
544.31653	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1324
Annotation	Unknow
Peak:m/z	Relative Intensity
69.83631	2.8
72.73940	0.5
91.35763	0.4
95.12524	0.5
113.15203	0.5
132.20070	0.5
235.09132	0.5
235.12123	0.4
281.83026	0.4
326.07541	0.4
350.97229	0.7
363.06839	1.2
381.07950	8.9
399.03552	0.5
463.92297	0.5
501.02823	1.3
543.13214	100.0
544.13672	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	543.1315
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03418	1.4
71.08829	1.2
71.61052	1.6
85.02901	2.7
97.02823	1.1
98.97617	1.4
107.74474	1.1
116.98566	1.5
117.02253	1.2
119.01900	3.9
127.03858	1.6
131.00153	2.5
131.01900	1.6
133.03444	3.9
134.57852	1.1
137.02937	1.2
145.03479	1.8
146.99603	1.5
149.01186	1.8
151.04588	1.3
153.02345	1.3
153.03923	1.1
157.82561	1.3
159.05037	2.4
163.03923	3.5
171.05037	8.6
173.02959	1.7
173.06654	1.3
175.04468	1.3
185.02992	2.3
187.04465	2.1
189.00732	1.6
189.06078	2.8
191.02388	1.4
197.03015	2.0
219.01900	1.5
219.07191	2.3
221.05043	1.3
225.08171	1.9
228.31738	1.1
237.02771	1.9
245.05176	1.9
245.08693	5.2
247.06635	4.6
249.08199	5.3
259.06772	2.1
261.02921	1.4
261.08255	3.5
273.08209	1.6
281.07022	1.3
285.08078	1.2
324.58893	1.5
333.10367	3.3
351.07620	2.6
351.11386	27.6
367.08997	1.4
381.07974	7.3
465.17630	1.4
543.13171	100.0
545.55414	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02172	0.7
56.48235	0.7
57.03432	1.5
63.08648	0.6
67.05495	1.3
68.12270	0.7
70.06583	1.0
70.51274	0.7
71.04987	2.5
71.20641	1.5
75.04475	2.6
78.28115	0.7
79.05485	1.9
81.03404	1.1
81.07039	1.6
85.02905	4.2
91.05473	3.4
93.07028	1.8
94.04181	1.9
95.04959	1.2
95.08607	1.9
97.57868	0.8
102.90501	0.7
103.05460	5.9
105.07057	3.7
107.04932	2.5
107.08562	1.9
108.08880	0.7
109.06522	0.9
115.05459	1.4
117.07014	1.0
119.04932	1.3
121.06493	2.3
122.03651	5.4
127.03870	1.1
131.04921	12.8
133.06487	16.0
135.08018	5.4
135.11676	1.7
137.05975	100.0
141.30408	0.8
143.04955	0.9
143.08580	0.9
145.06470	3.8
147.04399	2.1
147.08063	1.8
149.05905	1.8
151.07536	7.3
157.06496	1.3
161.05980	2.8
162.06715	0.9
163.03908	3.3
163.07541	35.2
171.08096	1.3
175.07530	3.2
177.05479	0.8
177.09059	8.4
189.09099	3.1
190.86652	0.7
203.10677	3.0
207.10176	3.2
221.11679	2.9
235.11237	1.3
237.02982	0.9
245.09537	1.0
263.10638	2.0
264.26639	0.9
287.12787	1.1
295.13327	12.8
311.13058	1.5
325.23691	1.6
326.24048	2.4
327.15900	28.7
331.15442	3.9
344.24890	0.8
345.16833	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	542.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90880	0.6
57.16175	0.6
57.32742	0.5
69.03421	1.4
69.45750	1.2
69.46162	5.1
70.06594	1.0
71.05006	0.8
73.02964	0.6
75.52218	0.5
78.25985	0.7
80.32801	0.5
81.03387	0.7
82.84280	0.6
85.02891	2.1
85.33139	0.5
86.09695	0.7
91.05470	1.3
93.07021	1.1
96.08157	0.6
97.02887	0.6
103.05464	6.4
105.07001	0.6
115.05466	0.6
117.07004	1.6
119.04944	1.5
119.61543	0.6
121.06496	0.8
121.10096	0.6
122.03633	1.1
123.08016	0.9
131.04924	14.0
137.05978	18.2
143.08633	0.9
151.07535	4.6
162.06725	1.6
163.07542	43.6
171.08015	1.0
175.07518	2.6
176.08327	0.6
177.09102	100.0
178.09364	1.4
195.10149	3.3
203.10692	0.6
209.08157	0.8
210.16454	0.6
221.11722	27.9
246.14931	2.1
246.65193	0.8
299.12833	0.7
345.16843	1.2
388.30231	0.6
434.17929	0.6
485.66913	0.7
542.22552	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.9
65.03938	0.5
67.71281	0.5
69.03410	1.8
71.16892	0.9
79.05480	1.3
81.03426	1.0
81.07030	0.8
85.02910	4.5
91.05479	2.4
93.03404	0.7
93.07053	0.4
93.97272	0.4
94.04178	1.9
95.04953	0.9
95.08589	0.7
97.02892	1.9
99.04445	0.6
103.05481	6.1
105.07026	4.4
106.04150	1.0
107.04971	1.3
107.08530	0.5
109.02863	0.9
109.06490	0.9
117.07073	1.0
119.04946	0.9
121.06515	3.8
122.03662	5.2
123.04440	0.5
127.03920	0.9
128.06241	0.7
129.06975	0.6
129.72417	0.4
131.04926	8.1
133.06493	18.0
135.08041	5.8
136.05165	0.7
137.05975	100.0
138.06302	0.6
143.04941	0.6
143.08546	1.6
145.04958	1.1
145.06474	3.9
147.08034	1.8
149.05994	3.3
149.14917	0.4
150.06566	0.5
151.07544	6.4
155.37100	0.4
157.06505	0.8
163.03900	0.8
163.07542	29.9
165.09102	1.5
167.07092	0.7
171.08026	2.0
174.06808	1.1
175.07541	3.4
177.05463	1.1
177.09157	1.1
179.03355	1.3
181.08557	0.7
188.08310	1.2
189.09090	2.8
193.08649	3.1
202.10837	0.8
203.10680	3.7
207.10193	0.5
209.08089	4.6
210.08514	1.1
211.09688	5.6
221.11760	0.9
223.04315	0.6
235.11197	1.2
245.09674	0.5
248.08319	0.5
263.10748	1.9
295.13281	15.5
296.13708	0.6
327.15903	28.5
345.16986	2.3
460.74252	0.5
524.17365	1.2
543.15088	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96569	0.3
61.02255	0.3
69.03423	0.5
70.06594	0.3
70.98194	0.5
73.02914	0.7
79.05503	0.8
81.03413	0.4
82.48266	0.2
84.04512	0.6
85.02899	1.3
91.05473	0.8
93.07045	1.2
97.02885	1.0
98.06048	1.2
98.97585	0.7
103.05454	6.0
107.04941	2.9
110.46062	0.3
116.98614	0.5
119.04960	1.4
120.08101	100.0
121.06472	0.6
121.08394	0.6
123.04411	0.3
123.11684	0.4
127.03960	0.4
131.04907	2.4
134.99632	0.3
135.04382	1.3
136.06171	1.2
137.05972	1.1
140.07053	4.5
141.07347	0.3
145.05025	0.3
147.04404	2.1
149.05980	2.6
158.84938	0.3
163.03899	1.2
166.08632	57.8
167.07068	1.5
167.08951	0.2
173.02943	0.3
177.05444	0.3
179.07016	2.9
219.01749	0.7
237.02821	1.1
311.11166	0.4
372.10571	0.7
407.73325	0.3
428.03241	0.5
433.10016	0.4
475.11185	0.4
557.89441	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2801
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	6.8
54.24507	3.6
55.01874	100.0
55.05514	54.9
57.03443	33.3
57.07073	60.0
59.05003	5.1
60.85533	3.4
67.05499	49.0
67.25732	3.1
69.03429	40.9
69.07071	23.8
71.04982	10.6
71.59788	6.4
72.04507	4.5
73.02906	15.1
79.05495	60.8
81.03416	79.4
81.07058	67.1
83.04980	65.0
83.08618	45.1
85.02901	41.6
85.06535	9.4
91.05477	49.6
93.07047	42.1
95.04967	41.5
95.08611	26.0
96.05767	4.1
97.02921	6.5
97.06524	36.4
97.10166	11.1
98.07321	4.8
99.08093	6.0
100.12846	3.2
100.85255	3.1
101.05870	3.1
105.07030	42.6
107.04969	16.0
107.08586	30.6
109.06519	7.8
109.09523	3.4
109.10155	20.2
111.04443	6.3
111.08089	28.3
113.06031	8.1
115.03949	7.6
115.05470	4.9
116.04708	12.3
117.05500	9.9
117.07021	6.5
119.08575	30.1
121.06493	7.7
121.10104	19.5
123.08084	8.7
123.11676	8.4
125.09628	12.6
127.11182	33.5
127.74234	3.2
129.05476	10.3
129.07014	10.2
131.08565	16.2
133.06589	4.8
133.09244	3.8
133.10123	18.3
135.08092	6.2
135.11708	7.2
136.45068	3.3
137.09570	5.5
137.13255	12.3
139.07545	11.2
142.07707	4.6
145.10063	6.2
146.10915	4.1
147.04417	9.1
147.11674	30.1
149.09613	17.1
157.08676	8.1
157.10130	13.4
158.05727	46.3
159.06535	8.2
163.03925	4.3
163.11157	6.7
164.11974	19.9
165.12711	12.3
167.07014	5.7
171.06516	52.8
171.10257	3.4
175.11182	20.4
181.12186	6.1
183.13824	4.4
185.08116	38.0
190.04721	7.4
193.12241	54.9
199.09685	22.5
201.14867	32.8
211.13284	56.4
213.11208	8.6
218.81036	3.4
226.11993	9.3
227.12721	30.5
229.14391	5.3
241.14287	12.1
242.15123	25.2
243.15901	4.8
247.25769	3.6
255.12279	13.6
255.15909	44.2
257.03308	4.8
267.15982	24.6
269.14001	3.0
269.17422	18.8
283.19092	12.1
285.16953	13.6
297.20642	8.5
298.17786	26.9
310.21310	6.2
311.18506	32.7
311.22180	32.0
325.20059	24.7
325.23779	8.2
326.24484	16.1
339.17950	41.2
339.21707	57.3
353.19522	9.3
353.23318	16.9
367.21088	26.0
367.24908	7.4
380.65775	3.8
382.27155	54.2
395.24384	7.6
409.25821	14.5
410.26709	4.4
433.26016	5.3
449.29214	5.0
465.28372	12.2
494.28772	6.2
540.28149	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	541.3887
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	0.8
51.08115	0.7
53.03944	4.5
54.67939	0.6
55.01872	1.9
55.05513	13.3
57.03426	1.5
57.07069	1.1
65.03935	2.7
66.71906	0.6
67.05506	41.2
69.07071	8.3
71.05017	1.4
71.08651	0.8
72.80005	0.8
73.06564	0.8
77.03928	1.2
79.05492	51.1
79.75556	0.8
81.03414	4.9
81.07058	35.3
83.04981	5.7
83.08619	5.3
85.06544	2.4
91.05481	36.0
93.07044	49.2
95.04975	12.3
95.08604	27.1
97.06507	3.1
97.10168	2.2
103.05460	0.6
105.04503	1.7
105.07030	21.7
107.04932	3.7
107.08594	18.2
109.06511	4.0
109.10151	7.1
111.08072	1.7
117.07009	6.1
119.08582	14.9
121.06521	1.6
121.10152	12.2
123.08076	3.4
123.11731	1.3
127.07611	0.9
128.06215	1.1
129.06995	7.0
130.07800	0.6
131.08585	6.9
133.10118	9.0
135.11674	7.2
143.08572	5.4
145.10126	7.5
147.11685	22.9
149.13298	2.8
155.08601	0.8
157.10161	1.1
159.11684	3.4
161.09674	2.2
161.13280	8.2
163.11177	0.9
163.14774	1.2
169.10138	1.6
171.11679	17.0
173.13286	2.1
175.14908	0.7
179.14334	0.7
181.09944	0.7
189.12750	7.9
195.11713	0.7
199.14879	0.9
202.09096	0.8
207.13795	21.8
225.14882	2.4
256.26361	1.0
259.20596	0.8
261.22086	4.3
275.91815	0.6
281.17639	1.5
300.93817	0.7
311.29501	1.0
317.24731	0.9
366.63553	0.7
449.34106	1.0
485.36972	0.9
523.37762	0.8
540.53558	1.9
541.38904	100.0
541.53583	5.3
542.39429	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.206
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	1.5
64.78640	0.5
67.01684	0.5
67.05492	0.7
69.03403	0.5
69.07041	0.6
69.94292	0.5
70.06561	0.7
71.04969	0.7
71.59322	0.8
71.63954	0.5
75.04486	0.6
78.24127	0.6
79.05481	4.3
81.07060	1.4
85.02883	1.5
85.06540	1.1
86.09682	0.6
89.03874	0.5
91.05473	5.9
93.03391	2.4
93.07050	1.4
94.04283	0.6
95.04947	1.6
97.06545	0.7
103.05479	4.4
105.03370	0.6
105.07026	15.7
105.37170	0.5
106.04178	3.7
107.04933	4.0
107.08546	0.8
108.05717	0.6
109.06498	1.4
109.10162	0.8
115.05470	0.9
118.04147	6.1
119.04925	2.2
120.05721	0.8
121.06513	5.8
122.07241	1.7
123.04403	0.7
123.08038	1.7
124.05186	1.7
125.05981	1.4
131.04893	1.8
132.05696	0.7
133.06490	16.9
135.04453	2.7
135.08075	3.2
137.05989	5.3
138.11028	0.5
139.07515	0.8
146.03667	1.0
147.04414	1.1
148.05173	1.1
149.05975	10.0
150.06770	10.2
151.07527	4.0
153.09111	1.6
161.06029	2.6
163.03897	2.3
163.07555	0.8
165.09108	11.5
167.07039	9.8
176.07909	0.8
177.05453	5.6
178.06267	1.1
178.56792	0.6
179.01596	0.7
179.07031	1.8
181.08556	5.0
190.00845	0.6
191.06982	1.3
192.07802	0.8
193.08604	52.8
195.06497	1.5
207.09007	0.5
209.08089	36.1
211.09650	100.0
212.09877	0.5
223.04250	7.9
256.15195	0.6
267.06738	0.6
312.08737	1.1
315.23444	0.6
371.15005	0.6
403.17383	1.2
465.69644	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22961	0.7
53.03942	1.0
55.38891	0.8
61.02919	1.5
67.05521	0.7
67.48353	0.9
69.03415	2.2
71.58874	0.7
71.59296	1.4
81.03420	1.3
81.07034	1.7
83.04980	1.1
85.02904	7.5
87.83932	0.7
91.05473	8.2
93.07050	1.5
94.04167	0.9
95.04946	2.8
97.02895	2.0
103.05463	1.6
105.07007	1.4
107.04935	2.5
109.06505	2.1
115.05405	0.9
117.06982	1.0
119.04926	7.4
121.06491	2.7
122.03613	1.9
125.05936	0.8
127.03849	1.4
128.06245	1.6
129.07013	11.9
131.04906	3.3
131.08543	7.1
133.06473	1.6
135.08032	2.5
136.05272	1.0
137.05974	37.6
141.07007	4.1
143.04822	0.7
144.05705	1.1
145.05003	1.0
145.06448	1.7
146.07266	1.5
147.04306	1.0
149.06007	5.0
151.03949	1.9
151.07539	40.6
157.06477	11.0
158.07224	2.4
159.08034	5.0
161.05971	4.6
161.09636	1.8
163.03928	3.6
163.07523	9.4
165.06978	2.2
165.09094	1.0
167.08582	4.5
167.76880	0.8
169.06467	2.9
170.07176	0.8
173.05971	1.3
174.06747	12.5
175.07506	5.3
176.08371	1.2
177.09077	2.1
178.07758	1.5
181.06488	1.0
181.10098	1.0
186.06770	2.6
187.07565	1.2
189.09090	35.5
191.10617	2.2
193.06541	1.9
193.10118	2.3
195.08032	10.1
197.06049	1.2
201.09113	8.6
207.10155	2.2
209.07944	1.9
209.09683	1.2
210.06653	1.9
212.08318	1.4
219.10153	93.6
221.06010	3.3
221.09563	3.8
223.07530	4.3
224.08333	1.1
225.09111	2.4
227.10657	12.5
237.09108	1.6
238.06133	1.3
240.07747	1.0
249.09006	2.4
251.10484	0.9
253.08572	5.4
253.12309	6.9
255.10150	13.9
267.10135	2.5
269.08032	2.1
269.11844	0.9
272.10388	2.5
281.11719	3.2
285.11206	9.4
287.12769	24.5
306.24731	0.9
313.14304	23.0
331.15390	100.0
332.15771	1.2
343.15329	1.3
405.06082	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.244
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.5
57.19065	0.4
69.03424	0.9
70.06284	2.3
79.05488	0.7
85.02913	1.8
91.05466	3.5
93.07034	0.5
94.04186	0.4
95.04932	0.7
97.02916	0.4
103.05462	6.8
104.20417	0.4
105.07016	0.8
107.04956	0.9
109.06467	0.6
115.05457	0.7
116.06253	0.5
117.07034	1.9
119.04930	2.3
121.06476	1.5
122.03636	1.2
123.08076	0.6
128.06190	0.6
129.06990	1.2
131.04930	15.2
133.06485	0.5
135.08069	1.1
137.05975	26.2
143.08559	0.7
145.06412	0.7
147.04375	0.4
149.05960	1.8
149.09619	0.6
151.03894	0.4
151.07541	13.9
157.06512	1.1
161.05978	3.6
162.06743	1.7
163.07541	40.2
165.07011	0.6
165.09158	0.7
167.07179	0.5
167.08563	0.8
171.08052	1.1
174.06746	0.7
175.07530	4.2
177.09100	100.0
178.09348	0.6
187.07507	0.4
189.09126	4.0
189.98112	0.4
193.06572	0.4
195.08064	2.0
195.10170	2.4
203.08624	0.4
203.10521	0.8
207.08121	0.4
207.10081	0.6
210.06696	0.6
221.05986	1.0
221.09854	0.8
221.11719	18.5
223.07562	1.2
225.09062	0.8
227.10590	4.0
237.08952	0.5
249.09143	0.9
253.08551	1.4
253.12263	1.8
255.10170	3.8
265.08600	1.3
267.10193	0.7
269.08231	0.5
285.11105	2.3
287.12784	6.6
297.11118	0.4
299.12845	0.6
311.12680	2.1
313.14291	4.5
331.15387	17.9
343.15344	1.8
549.57562	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	0.4
57.03428	0.7
61.02914	0.7
69.03415	2.1
71.59055	0.6
79.05484	0.6
81.03399	0.8
85.02425	0.4
85.02903	6.2
91.04955	0.5
91.05475	5.2
93.07045	0.3
94.04182	0.6
95.04958	1.1
95.61169	0.3
97.02882	1.3
98.97495	0.3
103.05482	0.8
105.07003	1.2
107.04965	1.5
109.02873	0.5
109.06502	1.0
111.04349	0.3
117.06969	0.4
119.04928	5.0
121.06477	1.6
122.03641	1.6
123.08026	0.5
127.03911	0.7
128.06256	0.4
129.06999	3.1
131.04904	1.7
131.08562	0.4
133.06477	0.6
135.04433	0.3
135.08031	1.1
136.05186	0.7
137.05971	23.7
138.06264	0.6
143.04915	0.5
145.04961	0.7
145.06433	0.9
146.03583	0.3
147.04399	1.3
147.07971	0.3
149.05969	4.0
151.03899	1.0
151.07538	30.4
152.06145	0.4
157.06485	2.9
161.05954	3.8
161.09639	0.8
163.03880	1.0
163.07556	7.3
165.06934	0.8
165.09108	1.0
166.07700	0.3
167.07056	1.0
167.08554	3.0
174.06792	1.8
175.07556	2.8
176.07930	0.3
177.09117	2.2
178.07751	0.6
179.08516	0.4
181.06512	0.4
188.08185	0.3
189.09113	10.0
191.08524	0.4
193.06454	1.1
193.10138	1.3
194.07254	0.5
195.08060	5.4
196.08601	0.3
197.05968	0.4
197.09784	0.5
203.08594	0.4
206.07225	0.4
207.10088	1.9
209.09645	0.9
210.06752	1.3
211.07562	0.4
212.08240	1.5
220.08858	0.4
221.06013	2.3
221.09648	3.0
221.11716	0.7
223.07535	2.6
224.08313	1.1
225.09099	2.3
227.10652	8.7
234.06784	0.4
235.07477	0.4
237.09021	1.1
238.06291	0.9
238.09869	0.8
239.06995	0.4
240.07813	1.0
241.08643	0.4
241.12196	0.4
248.08095	0.4
249.09084	1.4
252.07794	0.5
253.08600	3.8
253.12231	4.6
255.10162	8.5
256.10754	0.5
265.08972	0.3
266.09244	0.3
267.10098	1.8
269.08008	1.1
269.11685	0.8
270.08890	0.4
272.10486	0.9
281.11713	2.3
284.10406	0.5
285.11218	5.8
287.12759	17.9
299.12744	1.2
301.14279	0.5
311.12762	0.8
313.14325	18.3
323.37781	0.3
325.14850	0.4
331.15381	100.0
332.15570	1.5
343.15295	3.9
347.15283	0.4
355.15204	0.4
362.17810	0.4
421.16321	0.4
439.17490	0.4
558.19116	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.19
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.8
55.01875	2.0
60.86526	0.3
65.03939	3.8
67.05507	0.8
69.03413	0.5
71.32912	0.9
75.04473	3.2
78.04729	1.8
79.05482	1.6
81.07035	0.4
85.02909	3.6
89.03902	1.1
89.06013	1.0
91.05482	12.4
93.03402	13.6
93.07043	5.2
95.04967	5.8
97.06523	2.6
103.05454	4.8
103.17986	0.4
105.03410	0.5
105.04527	0.7
105.07024	1.0
106.04169	26.6
107.04974	3.1
107.08590	0.4
108.05771	0.5
109.06523	0.9
111.04448	3.5
117.03372	0.8
118.04147	0.6
119.04950	1.3
121.06500	30.0
122.03613	0.6
122.07317	0.7
123.04416	1.5
123.08040	1.1
124.05181	1.1
124.29491	0.3
125.05994	9.9
131.04939	1.9
132.05690	0.5
133.06458	0.6
134.03630	4.1
135.04420	1.3
135.08086	0.4
137.05978	7.8
138.06769	2.9
139.07544	2.3
145.02802	0.9
147.04425	1.1
148.05156	2.5
149.05978	46.2
150.06471	0.6
151.03905	0.8
151.07545	2.8
152.04596	0.4
152.08252	0.9
153.05470	12.0
153.09100	11.4
161.06023	1.0
162.01341	0.4
163.03896	1.6
163.07550	3.2
164.08217	0.5
165.05498	0.7
165.09161	0.4
166.06218	1.7
167.07021	3.4
168.68745	0.4
175.32567	0.3
177.05466	23.8
179.07034	0.6
180.07846	0.8
181.08591	19.8
182.09377	4.6
190.00777	0.5
191.06990	2.2
192.07903	0.5
193.08623	0.7
195.06487	0.4
207.10294	0.5
208.01831	0.5
208.10957	1.5
209.08086	100.0
210.08459	0.5
223.04234	6.6
312.08789	0.7
369.13361	0.5
383.14575	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.3495
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	0.6
57.03440	0.6
57.07090	0.8
67.05500	3.2
69.07069	2.9
69.31495	1.2
69.31895	4.8
71.04973	0.8
79.05480	6.9
81.06576	1.1
81.07052	21.4
83.04969	1.0
83.08636	0.7
91.05479	2.1
93.07035	18.4
94.07365	0.6
95.04976	0.7
95.08605	6.0
97.06526	1.0
97.10145	0.6
98.21504	1.3
98.98459	100.0
105.07062	0.5
105.44183	0.5
107.08585	24.5
109.10151	10.9
109.10903	0.5
116.80552	0.6
116.99493	5.4
118.05318	0.5
123.11674	0.7
135.11681	50.8
136.12062	0.9
137.13243	6.3
140.01082	3.4
153.12737	20.5
194.15459	0.7
251.10428	64.9
252.10844	1.1
387.22937	0.9
403.22437	18.8
404.23352	0.6
463.55316	0.6
539.34839	1.5
540.53827	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.1899
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.0
55.01870	1.8
57.03417	0.4
58.06601	0.4
65.03949	2.7
65.14894	0.4
67.05496	0.6
71.04986	0.5
71.59084	0.4
71.59456	0.5
75.04478	2.9
75.76929	0.4
77.03936	0.7
78.04695	2.5
79.05511	1.9
81.03403	0.5
81.07061	0.5
84.90672	0.4
85.02913	3.2
89.03913	1.2
89.06036	1.0
91.05485	11.3
93.03407	9.8
93.07048	5.6
95.04969	4.5
95.08607	0.8
97.02916	0.6
97.06515	3.3
103.05463	5.2
105.04486	0.5
105.07027	0.9
106.04179	27.0
107.02265	0.3
107.04950	2.1
107.08568	0.4
109.06484	0.7
111.04425	0.7
117.03344	0.7
119.04910	1.0
121.06512	27.2
122.07249	0.5
123.04436	1.1
123.08068	0.7
124.05217	1.1
125.05997	8.2
131.04927	2.1
131.05916	0.5
133.02776	0.4
133.06523	0.7
134.03644	4.1
135.04425	1.4
135.07953	0.4
137.05972	4.5
138.06775	1.4
139.07545	2.5
145.02831	0.8
147.04395	0.9
148.05159	1.8
149.05986	42.6
151.03923	1.0
151.07541	1.6
152.08311	0.7
153.05562	2.0
153.09109	11.8
161.06023	0.8
163.03928	1.6
163.07484	1.8
165.05508	0.6
166.06256	1.1
167.07021	3.4
177.05473	21.7
180.07835	0.7
181.08604	17.6
189.09035	0.6
191.07080	2.1
192.07846	0.5
195.06464	0.6
209.08098	100.0
219.10097	3.3
223.04254	6.7
312.08826	0.5
366.16223	0.4
387.14294	0.9
402.26624	0.4
418.05493	0.4
471.76938	0.5
517.51514	0.4
562.43262	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.5
55.01873	0.9
60.30273	0.6
61.02908	0.8
61.62744	0.6
65.03941	0.9
66.04752	0.7
69.03418	1.7
71.04990	1.0
71.59418	0.8
81.03425	1.7
81.07048	0.9
85.02895	6.7
87.04466	0.7
91.05490	1.9
93.07040	0.9
94.04182	2.7
97.02887	1.5
103.05466	3.9
104.05813	0.9
105.07031	2.8
107.04933	1.4
109.06546	1.0
109.10149	0.7
111.04473	0.7
115.05460	3.9
117.07043	1.3
119.04969	1.2
121.06548	0.9
122.03654	4.9
123.04480	0.7
125.06013	0.7
127.03917	1.5
128.06187	0.8
129.07008	4.2
131.04921	5.6
132.05290	0.5
133.06462	1.5
133.10040	0.9
137.05971	100.0
138.06311	9.2
143.04919	6.1
144.05669	1.2
145.04955	1.8
145.06488	1.7
147.04411	2.7
147.08055	1.5
149.06006	1.4
151.03903	1.0
151.07475	1.4
153.05420	2.6
157.06519	4.5
159.08104	1.0
160.05190	11.0
161.05989	5.3
163.03903	2.8
163.07556	3.1
167.07001	2.2
172.05203	1.3
173.05957	1.0
174.06859	1.4
175.07535	81.0
176.07890	1.3
177.09050	1.5
177.16278	0.6
179.07004	1.2
180.08665	1.1
185.06020	0.6
187.07530	26.2
188.07983	1.2
189.09081	7.0
190.07759	0.7
191.08545	2.2
199.07568	2.1
203.08568	2.1
205.08585	22.6
209.15244	1.1
211.07498	1.2
217.08644	2.9
219.08093	4.3
220.08658	0.8
231.08028	2.8
233.09514	0.7
235.07590	1.1
235.09636	23.2
236.08298	0.9
239.06857	1.1
247.07520	2.1
248.08243	2.3
251.10704	5.5
256.07291	0.7
259.07465	1.4
263.10477	1.5
264.07748	0.8
265.08530	1.4
270.08765	1.8
271.09622	3.9
276.07727	1.2
277.08636	0.8
279.10144	5.9
280.10660	0.9
281.08075	0.9
283.09497	0.6
287.09000	0.6
291.10147	5.1
296.10260	1.2
308.09955	0.7
309.11099	0.9
311.12817	12.1
323.12741	7.4
341.13815	7.5
363.21182	0.7
438.91913	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.229
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03433	2.1
70.88515	1.7
70.88857	1.2
71.04993	1.9
79.04310	0.8
79.05477	1.4
81.03407	1.0
81.07049	1.1
85.02915	6.5
91.05482	1.6
93.07058	0.9
94.04197	1.7
95.04975	1.1
97.02891	1.7
103.05463	3.5
105.07014	1.9
109.06499	1.4
109.10179	2.3
111.04446	1.1
114.69503	0.9
115.05457	4.8
119.04903	1.8
119.08599	1.2
122.03637	5.5
123.04461	1.2
125.06009	1.3
127.03876	1.3
128.06226	1.1
129.06999	3.2
129.59247	0.9
131.04945	7.0
133.06468	1.4
135.04404	0.9
137.05974	100.0
138.06308	12.8
143.04929	6.7
144.05617	1.0
145.04942	1.2
145.06496	1.8
147.04427	1.7
147.07988	1.1
149.05968	1.3
151.03979	1.5
151.07544	1.5
153.05446	2.2
157.06494	3.8
160.05208	10.2
161.05975	7.5
163.03912	3.0
163.07599	3.0
166.08591	0.9
167.07095	2.2
171.08134	0.8
172.05220	2.3
174.06660	1.6
175.07541	71.3
177.09064	1.3
180.08701	0.9
187.07527	25.8
187.09167	1.8
188.07828	1.7
189.09077	6.2
190.07669	1.1
191.07013	1.4
191.08627	2.7
199.07547	2.4
202.07733	1.1
203.08586	2.3
205.08548	13.9
209.15465	1.6
211.07532	1.2
217.08607	2.1
219.08101	4.7
231.08090	1.1
235.09666	13.9
236.08138	1.1
247.07492	2.0
248.08290	2.0
251.10689	5.7
259.07623	1.4
263.10696	2.7
270.08673	1.0
271.09650	2.3
276.07919	1.6
277.08551	1.0
279.10144	5.2
280.10919	1.3
281.08112	1.3
283.09546	0.8
291.10126	4.9
308.10501	1.3
309.11188	0.9
311.12790	11.4
313.14301	1.7
323.12671	5.2
337.75293	1.0
341.13904	5.3
343.71985	1.0
376.14838	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2119
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	1.6
55.01873	2.4
55.05513	1.5
57.70636	1.1
65.03958	1.9
65.36584	1.0
67.05505	2.8
69.03423	3.1
69.07045	1.1
71.04996	1.7
71.60042	2.0
73.02918	1.2
78.27430	1.3
79.05491	4.8
79.07918	1.0
81.03406	3.8
81.07056	6.9
83.04977	1.6
83.08631	1.1
84.04499	2.7
84.86035	1.1
85.02899	6.0
87.74172	1.1
91.05469	10.3
93.07040	4.7
94.04166	3.6
95.04977	4.2
95.08598	4.2
97.02892	1.8
97.10144	1.0
103.05473	14.5
105.07043	8.9
107.04959	5.0
107.08593	4.6
109.02880	2.9
109.06522	2.0
109.10196	2.8
111.04477	1.3
113.27337	1.0
115.05457	3.2
117.07020	1.9
119.04956	4.4
119.08583	4.0
121.06487	1.5
121.10151	3.3
122.03645	6.5
127.03925	4.0
129.07016	3.1
131.04933	27.0
131.08534	2.0
133.02817	2.3
133.06476	2.9
133.10130	2.6
135.04369	1.4
135.08057	2.0
136.54028	1.2
137.05975	100.0
143.04909	1.7
145.06459	2.2
147.04410	4.5
147.08055	3.3
147.11742	1.8
149.05989	5.7
151.03902	4.4
151.07538	9.0
153.01942	1.2
153.05484	2.2
159.08095	1.9
161.05994	12.0
163.03941	3.3
163.07552	13.1
165.05666	1.4
165.07022	1.9
167.05722	1.9
167.07047	8.3
171.04419	1.5
172.05257	1.4
173.05988	2.1
174.06630	1.4
175.04016	2.3
175.07574	14.6
177.05423	1.9
177.09116	1.6
178.07765	2.8
179.07042	3.5
181.06494	1.6
181.08600	1.8
182.07237	1.2
184.05173	1.8
185.05966	1.7
187.07570	8.5
189.06963	1.5
190.07700	3.0
191.07022	1.8
191.08597	3.4
193.04939	1.2
193.06615	1.3
199.07582	4.9
202.07835	3.3
202.15833	1.4
203.06894	1.3
203.08545	3.2
205.06596	1.8
206.07324	3.0
207.06413	1.4
207.08080	3.0
211.07463	1.2
215.08578	2.3
218.07289	4.7
219.07983	5.4
220.08894	2.1
221.06055	1.5
221.09653	5.4
222.06885	1.6
227.10695	1.5
231.08054	5.2
232.08809	2.2
233.09654	2.5
234.06757	4.8
235.07533	4.6
237.09111	3.5
240.07816	1.3
246.06744	2.7
247.07570	3.4
248.08347	3.0
249.05511	1.4
249.09164	8.8
250.09790	2.5
251.07103	1.9
251.10728	3.0
253.08513	1.9
255.10172	2.2
257.06073	1.5
259.07562	2.1
260.08386	1.7
261.09055	7.2
262.06192	1.6
262.10031	1.9
263.06949	1.6
263.10724	2.8
264.07745	2.3
265.08673	4.4
266.09363	1.6
267.10181	2.2
271.07407	1.7
272.07794	1.5
273.09036	1.3
275.07315	1.3
275.10602	2.2
276.07819	2.8
277.08597	9.5
278.09360	3.6
279.10172	5.2
280.10782	1.4
281.11835	1.6
283.09555	2.8
285.11215	3.9
289.08517	6.4
290.08963	4.3
291.10129	6.5
292.07343	1.9
292.10715	1.8
293.08215	2.5
293.11710	3.6
294.08920	2.6
295.09659	4.0
297.11081	6.7
303.10089	3.2
303.23236	3.4
305.11679	1.3
306.08795	1.7
307.09818	3.3
308.10379	2.1
309.11237	24.3
310.11990	5.1
311.12823	5.6
320.10587	1.3
321.11240	12.6
321.24222	2.2
322.11987	4.4
323.12833	10.6
332.38480	1.1
333.06036	2.4
333.11353	1.7
335.12738	5.0
339.12430	9.7
339.25217	1.3
353.13828	18.8
365.13837	4.0
366.08997	1.4
369.12994	1.3
374.29108	1.2
383.15054	7.0
384.14282	1.4
399.15851	3.5
407.13080	1.7
427.15494	6.0
439.15524	6.8
445.16483	2.3
447.18335	1.9
457.16306	1.7
458.17468	2.0
459.11810	1.7
459.18018	23.0
469.16364	3.2
470.17130	1.2
471.18063	8.7
489.19058	12.7
501.18774	2.3
519.20282	1.8
536.78772	1.7
537.20953	3.3
538.13922	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	2.7
62.93199	1.1
67.05500	3.0
69.03426	3.0
69.07072	2.1
71.04964	1.5
71.59759	1.9
75.26772	1.0
79.05497	4.1
81.03397	3.5
81.07055	5.6
81.81271	1.1
83.04961	1.5
84.04516	1.8
85.02894	5.9
91.05475	9.4
93.07044	4.5
94.04179	3.8
95.04957	3.4
95.08617	3.2
97.02894	2.3
97.06512	1.3
99.04436	1.8
103.05473	11.5
105.07032	8.8
107.04958	5.0
107.08586	3.9
109.02861	3.1
109.06503	1.4
109.10165	2.7
111.04477	1.3
115.05460	5.1
117.07004	1.5
119.04974	2.9
119.08569	3.0
121.10164	3.4
122.03642	9.1
123.11726	1.6
126.05523	3.3
127.03922	4.2
131.04932	26.4
131.08542	1.2
133.02792	1.3
133.06482	3.9
133.10118	2.3
135.04414	2.7
135.11636	1.9
137.05980	100.0
138.06381	1.3
143.04901	1.4
145.06494	3.0
145.10123	2.8
147.04401	5.1
147.08061	2.3
147.11713	2.3
149.05968	5.4
149.13251	2.0
151.03845	2.9
151.07555	6.9
155.04939	2.2
159.08096	1.9
159.11726	1.5
161.05984	13.0
161.13228	1.3
163.03911	2.2
163.07549	15.7
165.05498	2.0
165.06914	1.4
165.90036	1.2
167.07063	6.9
170.32973	1.2
173.05899	1.8
174.06841	2.1
175.07539	10.9
178.07722	2.6
179.07030	3.5
179.08525	1.9
187.07521	7.8
187.14876	1.8
189.07068	3.3
191.07019	1.7
191.08641	1.8
193.08598	1.9
199.07564	5.8
202.07826	3.3
203.06935	2.4
203.08572	5.2
205.06520	2.1
206.07248	2.6
207.08112	2.4
209.15378	1.3
210.06693	1.4
215.08568	2.1
218.07205	2.9
219.08038	6.6
221.09698	2.8
222.06664	1.9
223.07704	2.1
225.09135	1.9
229.06621	1.6
231.08109	6.3
232.08929	2.9
233.09647	3.8
234.06802	6.0
235.07558	4.3
237.09152	5.3
243.07965	1.6
245.06003	1.6
246.06760	1.6
247.07567	3.7
248.08298	4.2
249.09114	10.4
250.06258	1.4
250.09894	2.2
251.07065	3.0
251.10661	2.9
253.08630	2.2
257.05865	1.4
259.07642	2.9
260.08304	1.4
261.09171	6.3
262.06186	2.6
263.07010	2.9
263.10675	3.5
264.07712	2.6
265.08533	6.4
266.09378	1.6
267.10126	1.9
271.07684	2.0
272.07883	1.6
273.08981	1.6
275.10776	2.5
276.07837	2.1
277.08624	12.5
278.09329	2.5
279.10175	6.6
281.11853	1.8
283.09729	1.4
284.10709	1.4
285.11276	4.7
285.22186	1.4
289.08612	7.1
290.09003	4.5
291.10196	4.8
292.11017	1.9
293.08450	1.8
293.11813	5.3
294.09003	3.8
295.09641	6.9
297.11011	6.5
303.10181	3.8
303.23233	4.4
306.08896	2.8
307.09680	3.5
308.10291	1.5
309.11258	24.7
310.11969	4.5
311.12732	5.7
315.12482	1.5
321.11328	14.9
321.24258	1.7
322.11960	5.0
323.12854	12.9
333.06125	3.3
335.12662	5.3
339.12311	10.9
339.25275	1.3
342.77762	1.4
347.12823	2.9
353.13849	20.9
365.13785	3.5
383.14993	11.1
392.10388	1.4
395.12738	1.9
399.15857	3.4
407.12820	3.0
409.10336	1.6
427.15439	4.6
439.15530	8.4
441.16782	1.5
445.16653	2.5
447.17999	3.0
451.15405	1.8
457.16287	2.4
458.17035	2.2
459.18036	28.0
469.16299	1.6
471.17972	12.1
477.81296	1.3
483.17892	1.8
489.18997	13.8
491.21222	1.3
501.18646	2.8
537.20319	2.0
538.13733	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.3349
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	0.3
55.84098	0.2
56.05035	0.4
56.96555	0.6
58.06604	0.4
60.08162	6.2
67.05484	1.1
67.76646	0.2
68.56752	0.2
71.07377	2.5
71.60388	0.3
79.05482	0.5
81.07040	0.9
86.09702	28.5
87.10044	0.3
91.05453	0.2
93.07034	1.0
93.55882	0.2
95.08575	0.5
98.98461	2.4
104.10737	5.9
105.07007	0.3
107.08593	0.7
109.10144	0.5
110.05027	0.2
119.08562	0.3
121.10082	0.2
124.99999	18.5
143.00995	0.5
147.04390	1.2
148.04686	0.3
163.03876	0.5
167.05539	0.4
184.07333	100.0
185.07686	1.3
186.07794	0.8
213.04323	0.3
239.02234	0.4
245.80202	0.2
255.01782	0.3
257.03168	0.3
277.00266	0.2
279.13828	0.2
299.06064	1.1
415.03003	0.2
500.31387	1.1
518.32440	8.6
536.16992	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1964
Annotation	Bidenlignaside A
Peak:m/z	Relative Intensity
50.03011	0.5
52.24130	0.5
53.03937	1.1
55.01868	3.0
55.05503	1.1
57.03429	1.4
61.02916	2.0
61.14985	0.5
61.53764	0.6
65.03930	1.6
67.05509	2.7
69.03426	5.7
69.07068	0.8
70.06598	0.6
71.05018	1.1
71.62456	1.0
73.02915	0.6
78.45004	0.5
79.05475	1.8
81.03410	10.4
81.07061	4.1
83.08565	0.5
85.02898	12.3
85.06525	2.1
87.04459	0.7
91.03929	0.6
91.05466	3.3
93.07041	3.7
94.04196	1.6
95.04962	2.2
95.08616	3.0
97.02896	4.3
99.04436	0.6
103.05457	1.6
105.07001	2.3
107.04960	1.8
107.08604	5.5
108.02094	1.8
109.02869	2.0
109.06535	2.4
109.10140	3.8
111.04461	2.5
115.05444	2.2
115.07604	0.5
117.07015	1.5
119.04922	1.7
119.08586	1.4
120.14466	0.6
121.06484	0.8
121.10149	1.8
122.03618	3.9
123.04420	0.6
123.11716	1.1
125.06013	1.9
125.09637	1.4
127.03926	3.6
128.06242	2.9
129.06996	11.3
131.04944	3.6
131.08534	1.2
133.02916	0.7
133.06480	0.8
133.10141	1.1
135.04410	1.4
135.11702	3.2
137.05972	76.0
141.05457	4.3
143.04938	3.4
143.10704	3.0
144.05760	0.7
145.04964	1.3
145.06494	2.3
147.04405	2.3
147.08034	2.3
147.11679	1.2
148.05240	0.8
149.05974	1.1
149.09631	0.6
149.13214	0.9
151.03900	100.0
151.04973	5.5
151.11261	0.6
153.05449	3.1
157.06476	12.7
158.07251	0.6
159.04436	0.7
160.05188	1.6
161.05988	3.9
161.09616	1.6
161.13283	0.8
163.03894	1.7
163.07518	2.0
165.05435	2.9
167.07051	2.1
171.04405	4.3
172.05161	0.9
173.05994	1.1
174.06775	3.6
175.07542	6.8
175.14789	1.1
176.04689	1.5
177.05475	1.1
177.09050	1.4
179.07030	3.1
183.04636	0.5
183.06493	0.8
184.04944	0.6
187.07559	3.6
187.14861	0.8
188.04680	1.0
189.07390	0.8
189.09105	16.1
190.06145	0.7
191.07008	7.2
191.08501	0.8
203.07033	32.0
205.08580	8.3
207.08084	1.0
215.06996	2.8
218.07335	0.8
219.08058	1.9
221.08096	8.1
233.08069	14.7
235.07587	0.9
235.09773	0.7
239.10709	0.6
243.06583	1.1
246.06900	0.8
247.07545	2.1
249.09328	0.9
251.09236	1.9
253.08603	0.7
257.22751	1.0
261.09180	2.0
264.07846	1.0
265.08514	1.3
267.10278	0.9
271.05975	0.8
275.06894	0.7
275.23703	1.0
277.08496	2.4
279.10172	3.0
285.07648	1.3
285.22144	1.0
286.08340	3.8
289.08630	1.5
293.24741	1.9
295.09656	2.1
296.10352	0.7
297.11282	1.3
303.23172	5.6
306.08841	1.2
307.09598	5.4
309.11273	1.8
311.12747	2.3
312.09903	1.1
321.11203	5.5
321.24197	7.2
327.12274	11.8
339.12271	12.9
341.13879	1.3
345.13330	2.8
357.13324	31.0
358.14008	0.9
359.14795	3.3
365.13913	1.0
375.14365	14.1
537.20453	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.3348
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.2
56.05024	0.4
56.96564	0.2
57.03439	0.2
58.06326	0.3
58.06638	0.6
59.07405	0.2
60.08163	5.5
63.61248	0.1
66.04012	0.1
67.05507	0.7
71.07368	2.8
71.59368	0.2
74.17636	0.1
79.05482	0.3
81.07061	0.5
81.94426	0.1
85.77602	0.1
86.09704	29.0
87.09995	0.1
91.05453	0.2
93.07037	0.5
95.08619	0.5
98.98460	2.5
104.10745	3.2
107.08595	0.3
109.10126	0.2
121.10152	0.1
125.00002	19.1
126.04682	0.1
128.75920	0.1
128.76848	0.1
135.11681	0.3
143.01039	0.5
147.04454	0.2
163.03893	0.1
163.47250	0.1
166.02643	0.1
167.05499	0.2
184.07336	100.0
185.07622	0.4
202.51978	0.1
211.02419	0.1
255.01918	0.1
258.10895	0.1
273.02759	0.2
280.04779	0.2
283.03268	0.1
299.06174	0.3
348.15839	0.1
358.43515	0.1
500.31442	1.1
518.32422	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	536.3349
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46370	0.1
53.35551	0.1
55.05507	0.3
56.05036	0.5
56.46706	0.1
56.96569	0.2
57.03417	0.2
57.07053	0.2
58.06610	0.4
60.08164	6.2
67.05502	0.7
69.07060	0.3
70.12197	0.1
70.23576	0.2
70.23907	0.7
71.07375	2.7
79.05483	0.2
81.07050	0.9
83.04961	0.1
83.08620	0.1
83.93435	0.1
86.09705	29.4
89.52592	0.2
91.05865	0.2
93.07063	0.3
95.08596	0.4
98.98464	2.8
104.10741	8.2
107.08598	0.2
109.10152	0.6
119.04969	0.3
120.55770	0.2
121.10118	0.2
125.00003	20.6
135.11774	0.2
143.01057	0.6
147.04396	1.0
166.02745	0.2
167.05608	0.2
184.07336	100.0
185.07587	0.3
258.11057	0.3
268.53094	0.2
299.06244	0.5
300.10812	0.1
422.26511	0.2
518.32434	1.6
536.33502	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	536.3347
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57489	0.1
55.05494	0.2
56.05023	0.6
56.96555	0.2
57.03430	0.2
58.06355	0.2
58.06624	0.4
60.08162	6.1
64.22594	0.1
67.05495	0.3
69.07062	0.2
70.34074	0.6
71.07375	2.5
75.30777	0.1
79.05491	0.3
81.07040	0.5
86.09702	27.7
87.10057	0.2
91.05431	0.3
93.07034	0.4
95.08590	0.4
98.98459	2.5
104.03293	0.1
104.10739	4.2
105.07079	0.1
107.08578	0.7
109.10195	0.2
124.99998	19.9
135.11678	0.1
143.01045	0.4
147.04399	0.1
157.27927	0.2
161.66403	0.1
166.02643	0.2
184.07332	100.0
185.07637	0.1
237.00624	0.2
258.11060	0.4
264.22870	0.1
282.11783	0.1
293.71625	0.1
299.06049	0.4
329.58105	0.1
447.83481	0.1
498.80228	0.1
518.32465	1.6
532.23944	0.2
533.32520	0.2
536.33478	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.0
55.01862	3.9
57.03436	14.7
60.04517	2.0
61.02915	5.5
64.09566	1.8
69.03423	60.2
70.06594	2.6
71.04983	5.0
71.61755	1.9
71.62178	2.0
73.02907	6.6
74.06077	1.5
75.04478	2.2
75.05619	1.7
79.02644	1.5
81.03413	17.8
83.04977	2.5
85.02901	100.0
87.00827	36.5
87.04465	20.0
91.05469	6.5
91.46057	1.6
93.07001	2.0
95.04931	1.7
97.02888	58.5
99.04454	12.5
103.03954	11.2
103.05444	3.0
105.01862	66.1
107.04956	2.4
109.02870	21.6
111.04448	3.2
115.03928	29.7
115.05429	1.9
117.07028	3.4
121.06497	25.0
123.04466	1.9
127.02953	3.3
127.03912	61.0
129.01857	3.9
131.04892	2.7
133.04982	15.1
133.06453	1.8
135.04399	2.3
135.08014	2.0
137.05951	2.9
139.03979	2.1
145.04965	23.7
145.06490	17.2
147.02853	2.4
150.07596	11.0
159.02914	10.3
159.08031	4.1
161.05954	2.0
163.03891	4.0
163.07527	11.9
165.05539	2.0
171.02835	3.5
171.08055	1.9
173.05980	5.5
175.07527	5.1
177.05505	5.2
183.08041	4.3
187.07527	19.2
189.03935	30.0
191.07024	2.1
199.20876	1.7
201.09138	4.6
205.08606	24.6
211.07539	5.2
213.04013	3.7
217.08612	6.5
223.06046	2.3
229.08601	28.0
231.04970	22.9
235.09628	3.9
241.06996	8.1
246.74216	2.1
247.09633	25.3
249.06068	15.8
273.05731	2.0
299.06134	3.2
301.09198	2.4
315.08688	5.8
327.06946	9.4
333.09668	15.5
345.08099	16.8
351.10733	9.0
363.08975	2.2
369.11810	17.4
536.31677	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	534.3637
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.1
55.05502	15.7
57.03427	5.8
57.07081	9.6
61.02923	5.4
61.15897	2.3
65.03937	2.5
65.48734	1.9
67.05505	71.7
69.03428	3.0
69.07072	27.1
70.64344	6.7
71.08633	4.2
79.05488	24.4
81.07058	86.7
81.90697	2.2
83.04951	2.7
83.08624	22.4
85.02904	6.6
85.06515	2.0
85.10171	2.8
91.05486	15.0
93.07039	26.5
95.04953	3.3
95.08604	83.3
97.02880	2.7
97.06526	6.0
97.10188	15.0
99.08117	2.2
105.07031	12.5
107.08586	18.2
109.10155	40.6
111.08060	2.6
111.11742	4.0
113.09660	3.9
119.08546	11.2
121.10140	22.6
123.11700	17.5
133.10149	13.3
135.11684	13.2
137.13234	8.9
141.12679	3.6
147.11690	14.2
149.13251	8.8
151.11156	2.1
151.14830	7.6
155.14342	4.3
161.13263	11.6
163.14856	12.2
165.12865	2.6
165.16365	10.4
175.14728	11.7
179.17938	9.9
189.16406	6.0
192.80606	1.8
193.16052	2.2
194.67291	1.9
203.17908	2.8
217.19514	2.2
227.19952	14.1
245.22653	71.6
263.23703	100.0
265.25317	3.5
281.24979	2.5
281.31427	2.4
337.27338	50.2
355.28500	8.8
389.26785	2.6
408.78711	2.4
415.28110	2.2
540.14795	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2879
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48316	0.3
55.05489	0.5
56.96565	7.4
57.03426	0.8
57.07083	2.1
60.08158	1.4
65.03949	0.5
67.05502	8.7
67.09803	0.3
69.03381	0.4
69.07063	2.0
69.97205	2.3
79.05488	1.7
80.45058	0.4
81.03407	1.4
81.07065	2.7
82.37076	0.4
83.04973	0.4
83.08609	0.4
85.02898	1.2
86.09706	6.4
87.08095	1.0
87.10030	1.1
91.05461	1.7
93.07050	2.5
93.93732	0.3
95.04929	0.9
95.08601	0.9
97.06528	0.4
98.98494	0.6
104.10706	0.9
105.07009	1.4
107.08576	1.8
109.10152	8.2
111.08078	0.6
111.11697	1.1
119.08589	1.3
121.10131	0.5
123.11726	0.6
125.00002	4.8
126.00291	0.4
130.00200	0.4
133.10126	0.7
135.11690	1.7
147.03340	0.4
147.04411	1.5
147.11691	0.8
149.09607	0.4
153.12750	2.4
157.10149	0.6
161.95143	0.4
184.07330	19.1
185.07669	4.4
187.02841	0.5
191.00392	0.4
193.12238	0.8
195.03421	0.7
203.00310	0.3
209.01242	1.0
211.02809	1.2
211.13292	0.4
213.04350	3.8
221.01227	0.5
227.02458	0.5
229.04045	0.4
231.05392	0.6
237.00757	1.1
239.02263	10.2
239.04707	0.6
240.02760	0.5
243.08984	0.9
251.12541	6.9
255.01778	1.4
257.03302	16.3
258.03723	0.5
262.03949	1.4
273.02881	1.8
280.05005	1.4
285.16937	0.6
289.60242	0.4
293.61456	0.4
299.06055	0.5
307.15146	6.0
308.06442	0.4
355.12143	0.8
371.11719	2.1
373.13235	3.7
385.06085	0.6
389.12674	5.0
396.14722	0.9
401.05322	0.7
403.07086	1.5
412.14420	1.4
419.06494	1.2
517.31000	1.1
519.16522	0.7
535.17297	4.2
535.28778	100.0
536.29138	1.1
537.17926	1.1
553.17139	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3551
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79227	0.2
52.77531	0.2
55.05484	0.2
55.85541	0.2
56.05028	0.3
57.03407	0.2
58.06367	0.2
58.06617	0.5
60.08159	6.0
67.05502	0.6
69.07067	0.4
70.31510	0.8
71.07369	2.2
79.05481	0.3
81.07031	1.0
85.06510	0.2
86.09700	28.4
93.07036	0.4
95.08590	0.4
98.98447	2.4
104.10743	2.9
107.08547	0.3
109.10171	0.3
124.99996	19.4
137.13239	0.4
139.61621	0.2
143.01056	0.3
146.84973	0.2
153.07721	0.2
182.35641	0.2
184.07327	100.0
185.07628	0.3
201.89400	0.2
258.11017	0.3
281.29269	0.2
516.34351	1.3
534.35577	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	534.3634
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90676	2.3
55.05510	21.1
57.03424	8.1
57.07064	10.4
60.08156	3.0
61.02912	6.8
63.18915	2.3
67.05500	84.9
69.07069	30.1
71.01138	3.0
71.01468	5.6
71.04978	2.4
71.08624	8.0
75.23363	2.1
79.05490	24.0
81.07053	97.6
83.04955	3.9
83.08615	23.3
85.02907	5.3
86.09705	9.7
91.05476	19.8
93.07034	29.8
95.04955	2.3
95.08600	88.8
97.06538	8.3
97.10167	16.1
99.08109	4.6
104.10738	18.6
105.07018	14.0
107.08562	16.2
107.20667	2.5
109.10149	40.9
111.08076	5.6
111.11707	4.1
113.09602	4.9
119.08590	10.3
121.10128	24.9
123.11684	21.5
124.99998	4.9
133.10136	16.4
135.11688	13.7
137.13242	10.8
139.11147	2.3
141.12788	3.3
147.11656	11.7
149.13263	15.2
151.11176	3.1
151.14821	8.3
155.14238	3.7
161.13248	15.1
163.14810	13.7
165.16400	8.6
175.14812	13.5
177.16429	3.0
179.17963	6.5
184.07303	18.0
189.16389	5.0
193.15996	2.4
245.22649	74.1
263.23700	100.0
268.61365	2.1
301.60815	2.7
337.27338	68.4
337.31113	4.1
345.34476	2.8
355.28394	8.7
412.00806	2.3
412.39801	2.3
499.32288	4.4
562.98737	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	534.3187
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08453	0.3
56.05006	0.5
58.06590	0.4
60.07874	0.4
60.08160	5.8
65.14244	0.3
69.52705	0.6
69.53111	2.2
71.07363	3.0
79.05495	0.5
81.07045	0.8
86.09701	29.0
91.05450	0.4
93.07045	0.5
95.08585	0.5
98.21445	0.6
98.98455	2.3
104.10728	2.9
105.07019	0.5
107.08574	0.4
124.99998	20.5
127.29868	0.3
137.05960	0.4
143.01033	0.8
147.04413	0.4
152.66420	0.3
184.07330	100.0
185.07594	0.5
242.41325	0.4
498.29700	0.7
516.23816	0.4
516.30817	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	534.3191
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46617	0.1
56.05033	0.4
58.06381	0.2
58.06633	0.5
60.08161	5.5
63.07705	0.2
65.23878	0.1
66.46961	0.1
67.05492	0.5
69.07085	0.3
69.48473	0.3
69.48879	1.1
71.07370	3.0
79.05496	0.3
81.07043	0.5
83.04950	0.2
86.09701	27.8
87.10016	0.2
91.05477	0.6
93.07047	0.5
95.08621	0.3
98.98451	2.3
104.10732	3.2
105.07035	0.3
107.08589	0.4
109.10178	0.2
119.08538	0.2
124.99997	20.2
143.01056	0.4
147.04395	0.6
153.12764	0.3
157.01843	0.2
163.03857	0.4
184.07329	100.0
185.07791	0.7
186.07811	0.2
295.59430	0.2
327.14844	0.2
373.14816	0.5
498.29749	0.7
514.98267	0.2
516.30835	5.9
530.79456	0.2
550.26001	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3189
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	0.1
56.05022	0.5
56.80450	0.1
56.96548	0.3
57.03432	0.2
57.28085	0.1
58.06600	0.3
59.07393	0.2
60.08160	6.4
60.08474	0.3
64.97980	0.1
67.05504	0.3
70.06576	0.2
70.23347	0.6
71.07365	2.6
79.05474	0.4
81.07054	0.4
85.64140	0.1
86.09701	29.5
91.05454	0.2
93.07039	0.3
95.08574	0.3
98.98456	2.5
104.10741	3.5
104.11422	0.3
107.08608	0.2
109.10115	0.2
124.99997	20.5
125.09584	0.2
135.11601	0.2
143.01053	0.4
147.04424	0.2
184.07330	100.0
185.07713	0.4
222.26874	0.1
239.02284	0.2
257.03381	0.3
258.10980	0.2
355.82901	0.1
513.83459	0.2
516.30872	1.3
534.31873	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	534.3189
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19188	0.1
55.05492	0.2
56.05029	0.5
57.60909	0.1
58.06355	0.2
58.06616	0.5
59.07384	0.2
60.08159	6.1
67.05502	0.5
70.06564	0.2
71.07370	2.8
71.60471	0.1
71.60842	0.1
79.05483	0.3
81.07055	0.4
81.90745	0.1
86.09701	30.1
87.10034	0.2
91.05451	0.2
93.07033	0.3
95.08597	0.2
95.41798	0.1
98.98463	2.4
104.10735	5.3
107.08628	0.1
108.73883	0.1
109.10211	0.2
124.99997	19.7
143.01047	0.5
147.04379	0.2
166.02650	0.1
184.07330	100.0
185.07660	0.5
188.82497	0.1
192.01529	0.1
206.11790	0.1
239.02306	0.1
258.10916	0.2
516.30786	1.4
534.31934	6.5
535.32385	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	534.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64678	0.2
55.01864	0.2
55.05502	0.2
57.03439	1.9
57.07068	1.7
59.04998	0.3
60.04525	0.4
61.02911	0.2
65.03924	1.0
69.03428	6.5
69.03811	0.3
71.04974	0.3
71.61503	0.2
73.02927	0.2
74.03085	0.2
75.04477	0.4
76.03127	0.2
79.05487	0.3
81.03408	0.6
81.07064	0.3
85.02904	4.9
86.09710	0.3
87.04463	3.8
91.05511	0.4
93.03379	0.2
93.07051	0.4
95.08611	0.4
97.02892	4.6
97.06544	0.2
99.04436	0.3
105.07034	0.4
107.04948	0.6
107.08628	0.3
109.02863	0.3
109.10133	0.3
111.04452	0.3
115.03929	5.6
115.04742	0.3
119.08547	0.3
121.02877	2.4
121.03782	0.4
121.06483	0.4
121.10204	0.3
127.03881	0.9
133.04964	5.7
137.05983	0.8
144.06590	0.3
145.04953	0.7
145.10149	0.3
149.02339	100.0
150.02676	0.4
150.07607	0.7
161.46518	0.2
162.07690	0.4
163.03874	0.3
167.03403	2.9
167.07018	0.8
168.07417	0.2
177.05391	0.2
180.08675	0.5
190.04999	1.2
191.14345	0.2
192.07748	0.5
193.08267	0.4
195.10109	0.3
205.08603	4.2
223.09651	30.7
224.09825	0.3
229.45943	0.2
237.02823	0.3
295.09814	0.3
354.10126	0.3
534.20422	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2897
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57730	1.0
57.07077	1.3
59.41139	1.0
65.03937	1.4
65.48126	1.1
67.05499	6.2
69.07068	27.6
69.27673	1.0
69.30249	4.4
69.30675	8.2
75.29854	1.0
76.20628	1.0
79.05099	1.0
79.05479	5.6
81.07057	100.0
83.08615	1.5
91.05484	12.8
93.07043	4.8
95.05008	2.0
95.08608	14.9
97.10130	1.3
99.00798	2.9
105.07027	5.0
107.04957	3.7
107.08564	3.8
109.06533	1.2
109.10153	4.3
117.01830	2.4
119.04945	20.7
119.08548	1.4
121.10137	2.1
123.11697	11.1
131.08577	1.2
133.10155	6.4
135.11703	1.6
137.13255	37.8
147.11633	1.6
151.11203	3.9
155.39096	1.2
163.03935	2.2
167.08542	1.8
185.08122	2.2
190.65807	1.3
195.00298	1.3
195.08025	2.5
199.07495	1.6
203.17953	2.6
213.09097	61.8
311.09113	2.6
317.31708	1.1
323.20181	1.2
329.10190	1.5
365.21078	4.3
383.22070	1.1
397.16827	1.9
533.33887	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	533.2015
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82146	0.6
52.90572	0.6
53.03933	0.7
55.01858	0.8
55.74225	0.5
56.56858	0.6
59.05412	0.5
62.75103	0.5
69.03413	1.4
71.51539	1.4
77.03968	0.8
78.04701	2.6
79.05497	5.1
81.03394	1.2
85.02890	3.4
87.38892	0.6
91.05475	3.3
94.93468	0.6
95.04961	2.1
97.02869	0.8
101.89811	0.5
103.05453	2.3
105.07014	5.7
106.04185	1.5
107.04956	13.1
109.02831	0.6
115.05466	3.3
117.07024	1.1
118.04166	1.2
119.04947	0.6
119.08549	1.3
121.06489	1.4
123.04435	4.5
124.05189	4.0
125.05981	2.0
127.03897	0.7
128.06192	2.2
129.07008	6.5
130.04175	0.6
131.04935	3.9
132.05714	1.5
133.06496	6.0
134.03581	0.7
135.04362	0.8
137.05971	1.7
144.05710	1.1
145.06487	2.6
147.08046	2.4
148.05197	1.3
149.05948	1.2
151.03972	1.1
152.04683	2.4
153.05458	2.5
155.04921	0.8
155.07072	1.1
156.05719	1.4
157.06511	0.8
159.08055	6.2
160.05196	2.1
161.05981	10.7
163.03899	2.3
163.07545	0.7
165.07065	1.1
167.07040	100.0
171.08093	0.6
172.05246	2.8
173.05980	0.7
175.07539	20.7
176.04642	1.0
177.05495	1.4
178.07753	1.0
179.07130	0.9
184.05203	1.3
187.07541	21.6
189.06981	1.3
189.09111	1.8
190.07805	1.4
191.07013	8.9
191.08534	0.9
193.10043	0.7
199.07520	9.6
202.07837	1.6
203.08560	2.5
205.08499	0.7
206.07283	1.7
207.08121	1.4
209.08095	2.2
215.08604	1.6
217.06610	0.8
217.08562	2.0
218.07207	3.0
219.08054	2.3
220.08777	0.8
221.09766	2.8
231.07990	1.8
232.08778	1.6
233.09636	3.8
234.06717	1.9
235.07581	1.9
243.07986	0.7
245.06076	0.9
246.06676	1.2
247.07559	1.8
248.08298	0.6
249.09091	4.7
250.09848	1.3
251.06941	1.2
252.97934	2.3
260.08344	1.9
261.09067	3.8
262.06387	0.7
262.09943	1.2
263.06982	2.5
265.08588	0.7
266.09409	0.8
267.10046	0.7
277.08582	3.1
278.09372	1.1
281.11761	7.3
289.08585	4.0
290.09302	0.8
291.10062	1.3
293.11716	2.6
295.09641	0.9
306.08954	1.2
307.09555	0.9
309.11264	8.3
310.11871	1.2
311.09094	0.8
321.11185	9.9
322.11905	1.8
325.14307	1.4
326.11548	1.8
341.13834	24.8
353.13806	13.5
371.14822	1.0
379.00793	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.6
57.09109	1.1
57.61292	1.0
61.02930	1.8
69.03421	5.8
69.68220	8.1
78.04700	1.6
79.05489	6.6
81.03423	2.6
85.02908	12.9
91.05482	3.9
95.04949	2.2
97.02885	5.4
103.05441	2.8
105.07019	5.9
106.04161	1.0
107.04950	17.4
107.05626	1.8
109.02945	1.6
115.05458	3.6
117.07026	1.2
118.04238	1.1
119.08598	1.3
121.06498	1.1
123.04440	4.6
124.05213	4.5
125.05994	2.0
127.03927	1.6
128.06221	3.0
129.07002	3.9
131.04932	4.2
132.05719	2.2
133.06496	5.0
134.03647	1.0
141.06998	1.8
145.04985	2.4
145.06470	1.2
147.04318	1.1
147.08058	3.3
151.03810	1.0
152.04701	2.0
153.05449	1.2
155.04968	1.2
156.05690	1.4
159.08069	4.7
160.05209	3.2
161.05986	7.4
167.07037	100.0
168.07379	1.8
169.06538	2.1
171.08028	1.2
172.05208	1.8
175.06035	2.2
175.07552	36.6
178.07660	1.0
179.07101	1.9
184.05173	1.8
187.07538	15.1
189.07068	1.1
189.09100	1.9
190.07794	2.0
191.06992	9.0
191.08488	1.5
192.07838	2.5
193.08635	15.2
199.07541	12.7
201.09091	1.9
202.07953	1.6
203.08571	2.4
205.06555	1.6
206.07265	1.2
209.08052	1.3
215.08632	3.0
218.07301	4.0
219.08080	1.5
221.09377	2.0
231.08095	3.2
232.08885	1.5
233.09633	6.1
234.06769	1.5
235.07436	2.5
246.06790	2.5
247.07657	2.0
249.09081	4.0
250.09955	1.4
259.07520	1.4
260.08307	2.4
261.09097	6.7
263.07077	2.0
271.07623	1.2
274.06140	1.4
275.07159	1.4
277.08643	2.5
278.09375	2.2
279.09995	1.2
281.11893	5.2
289.08426	7.4
290.09207	2.3
291.06610	1.9
291.10117	2.1
293.11639	2.0
306.08844	3.4
307.09482	1.8
309.11185	5.0
321.11252	14.4
322.11896	3.8
323.09018	1.9
325.14401	2.7
326.11551	2.7
341.13837	15.3
353.13812	24.3
355.15240	2.8
431.67606	1.2
444.39493	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16558	1.3
53.03959	1.3
53.96149	1.3
55.01862	1.7
57.03442	1.9
61.02915	1.9
69.03428	4.8
69.86340	4.6
69.86777	4.3
71.04974	1.6
78.04747	1.7
79.05467	7.2
81.03400	3.3
81.07035	1.7
85.02891	14.3
90.43555	1.3
91.05479	3.7
95.04978	2.4
97.02898	4.6
103.05478	3.1
105.07027	7.9
106.04195	2.2
107.04958	17.3
109.02898	2.5
115.05449	3.4
119.08577	2.7
123.04465	5.6
124.05221	3.6
125.06036	1.8
127.03892	2.5
128.06270	2.4
129.07022	4.8
130.04137	1.7
131.04945	5.2
132.05737	5.8
133.06493	6.7
141.07024	1.8
144.05777	1.8
145.04944	1.9
145.06566	1.6
147.08055	3.8
149.05902	1.6
151.03911	1.9
152.04788	1.9
153.05475	2.4
157.06467	1.3
159.08060	4.6
160.05153	1.9
161.05975	7.8
167.07037	100.0
169.06532	2.9
172.05110	1.3
175.07547	40.2
178.07863	1.6
179.07057	1.5
184.05099	1.5
187.07555	14.4
189.09091	2.0
191.07050	11.8
192.07788	3.4
193.06993	2.6
193.08589	16.3
199.07513	14.2
201.09108	3.5
203.08528	2.7
207.08118	1.5
209.08029	1.6
215.08546	2.7
218.07263	4.5
219.08029	3.3
221.09648	2.0
231.07971	3.3
232.08838	2.4
233.09668	4.3
234.06621	1.5
235.07571	3.2
238.90091	1.4
246.06879	2.5
248.08310	1.5
249.09183	3.2
250.09898	2.2
259.07571	2.0
260.08167	1.8
261.09256	6.6
262.06241	1.4
262.09720	2.2
263.07162	2.1
263.10583	1.5
277.08643	4.4
278.09369	3.8
281.11804	7.0
289.08517	7.3
295.81720	1.6
305.07986	1.5
307.09613	2.1
309.11234	5.4
321.11276	14.5
322.11914	3.4
325.14276	2.2
341.13846	22.5
353.13797	23.1
355.15384	3.6
552.98785	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1952
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	1.3
61.01151	2.1
64.70103	0.3
67.05489	0.6
68.99794	2.2
71.04994	0.6
71.14688	1.0
72.04517	4.0
78.03784	3.8
79.05486	0.4
81.03426	0.4
81.07040	0.7
83.04977	0.6
85.02895	1.4
85.06529	0.7
86.06042	1.3
87.09199	0.3
88.02212	3.0
91.05479	1.1
93.06998	0.8
95.04968	0.7
97.02893	0.7
98.06032	0.8
99.05573	1.4
102.03758	4.6
105.07006	0.5
107.04958	1.1
107.08604	0.5
109.10182	0.5
114.03762	0.5
115.08713	1.8
119.04923	0.3
120.04783	0.9
123.04452	0.4
124.07613	0.9
128.06233	0.7
129.07001	1.7
130.08600	0.6
131.04906	0.6
131.06372	2.6
131.08571	0.8
132.04796	4.4
133.02861	0.8
133.06477	0.5
135.04382	0.3
137.02336	0.5
137.05954	1.5
141.06932	0.6
142.08620	2.5
143.08559	0.8
145.06508	0.3
147.04414	0.6
149.07434	21.2
149.65440	0.3
152.06212	1.2
153.06985	4.1
157.06482	7.0
159.05914	1.7
159.08047	1.0
161.05997	0.5
163.03894	1.0
165.07005	0.9
167.07057	1.5
169.06491	0.6
171.08003	2.0
175.05424	0.5
175.07634	0.4
178.05003	3.1
181.06467	11.3
184.09718	1.3
185.05984	2.9
187.07452	1.7
189.09099	0.4
191.07053	0.5
192.07736	0.7
193.08549	0.6
198.06754	0.4
199.07532	7.6
209.05949	3.6
210.06790	0.7
211.07709	0.3
213.05452	7.3
226.06241	0.6
227.07016	14.9
227.13969	0.4
232.05777	0.4
237.05431	2.5
243.11691	0.8
255.06509	100.0
256.06821	1.7
261.12671	26.4
265.77640	0.4
272.09042	0.5
279.70306	0.3
284.09137	3.2
326.10229	10.1
403.13248	4.6
515.18268	3.2
533.20483	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.3483
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	4.8
55.05514	24.4
57.03427	11.4
57.07079	4.0
60.08148	8.6
65.03922	4.4
67.05504	86.9
69.03426	24.8
69.07066	25.7
71.05000	5.1
74.35638	3.1
79.05492	74.5
81.03396	17.1
81.07054	96.6
83.04975	9.4
83.08616	11.6
85.02907	45.5
86.09715	26.3
90.97344	3.1
91.05477	56.7
91.62551	3.0
93.07041	100.0
95.04954	12.6
95.08604	80.6
95.09126	2.2
97.02898	34.8
97.06533	3.9
97.10171	7.5
99.04455	7.8
99.08062	4.8
105.07040	42.1
107.08588	50.5
109.02882	6.7
109.06480	3.6
109.10152	40.0
111.04446	11.6
117.07009	28.6
119.08558	37.2
121.06556	3.6
121.10146	46.2
123.08067	5.5
123.11697	22.2
124.99961	14.8
127.03932	23.1
128.06290	3.4
129.05443	7.2
129.07005	12.6
131.08559	32.9
133.06487	4.6
133.10121	32.5
135.11691	37.5
137.09633	4.1
137.13257	5.9
143.08571	12.1
145.04974	12.0
145.10104	25.2
147.04381	4.0
147.08006	5.8
147.11673	28.5
149.09613	3.5
149.13257	21.9
151.02742	3.3
155.08575	4.3
157.10110	7.6
158.86050	3.3
159.11653	25.7
161.13213	16.3
163.03983	3.5
163.14830	8.2
169.10109	4.6
171.11703	8.5
173.13292	15.8
175.14813	8.4
177.12785	4.0
181.10129	3.9
183.11711	4.7
184.07330	84.4
185.13229	7.4
187.11226	4.4
187.14857	6.8
199.14775	7.1
221.11412	3.2
231.20998	4.1
233.19145	3.2
241.19485	9.1
243.21083	10.4
259.20609	31.4
261.22134	62.2
277.21567	17.6
278.91525	3.0
279.23166	8.5
289.21585	9.2
291.23224	6.2
303.23175	13.8
305.24796	4.4
315.23215	14.2
317.24780	5.4
319.22546	3.8
327.23245	12.1
336.13397	3.1
341.24762	6.7
345.24292	19.7
350.55679	4.6
350.70624	3.5
351.23196	9.4
355.16122	3.3
357.24283	5.4
369.24332	33.6
387.25369	23.1
405.26437	16.1
423.27509	32.9
546.17334	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	530.3326
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89341	1.0
53.03937	4.2
55.01870	2.9
55.05259	1.6
55.05507	19.0
56.48279	0.9
56.96564	1.4
57.03189	1.8
57.03437	16.5
57.07069	1.7
65.03575	1.0
65.03928	2.6
67.05502	30.7
69.03420	5.4
69.07066	10.3
70.57127	4.1
71.01344	1.1
71.04993	5.3
79.05489	28.6
81.03416	72.4
81.07055	31.5
83.04983	20.4
83.08620	21.7
85.02902	32.5
85.06539	2.3
87.04446	1.2
91.05480	41.2
93.07041	20.5
93.74754	0.9
95.04961	30.8
95.08604	12.5
97.02885	3.6
97.06529	5.5
97.10160	4.2
99.08073	2.3
105.07026	37.7
107.04971	8.6
107.08595	10.5
109.06496	6.0
109.10146	9.4
111.04437	3.3
111.08081	13.2
113.05996	2.8
115.05454	1.5
117.07029	2.6
119.04962	2.0
119.08578	19.9
121.06509	2.0
121.10128	10.9
123.08057	3.0
123.11697	3.5
125.09610	2.0
129.06992	12.2
131.08556	17.7
133.06494	2.6
133.10132	15.8
137.09616	2.6
142.07759	3.4
145.10110	1.3
147.04359	5.0
147.08032	3.4
147.11673	19.9
149.09622	6.9
153.12724	2.7
157.10133	17.2
165.12785	3.4
175.11183	17.6
193.12241	64.6
211.13284	100.0
229.14355	1.5
237.00743	1.1
239.02106	1.2
249.15038	1.1
257.03333	3.4
267.15924	30.2
273.02954	2.2
285.16949	98.0
325.37860	1.0
385.23669	1.2
459.27341	12.4
477.28424	15.4
495.29520	41.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18871	0.3
53.03922	0.4
55.05502	0.4
56.96548	0.5
57.03421	0.8
57.07068	0.3
61.02909	0.4
65.03909	0.5
65.53600	0.3
67.05501	4.0
69.03407	1.0
69.07072	0.9
69.92123	1.8
71.04988	7.2
79.05499	1.5
81.03405	0.9
81.07044	3.5
83.04973	0.8
85.02892	3.4
85.03669	0.3
85.06537	10.4
86.33324	0.3
87.04518	0.3
91.05470	8.5
93.07041	2.0
95.04953	0.7
97.02882	0.5
97.06525	0.3
98.21440	0.4
98.97569	0.4
99.04415	0.3
103.05357	0.4
103.46372	0.3
105.07021	4.2
107.04942	0.5
107.08571	2.8
109.02818	0.4
109.06518	1.0
109.10144	3.7
111.04403	0.3
119.04931	13.2
121.06497	2.2
121.10110	0.3
123.11688	0.9
125.06032	0.4
127.03933	0.4
129.05501	0.5
133.06508	0.3
133.10115	8.6
137.05899	0.3
145.02901	0.4
145.10149	0.7
147.04395	100.0
148.04721	0.4
151.11165	6.3
161.01253	0.3
163.03848	2.2
165.05469	0.8
167.07027	0.3
169.12224	6.6
173.09642	0.6
187.13275	18.1
237.00615	0.5
255.01772	0.7
273.02945	0.8
291.08514	0.3
294.41006	0.3
309.09683	1.2
333.16913	6.8
372.47488	0.3
467.10660	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3886
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	3.6
55.05491	11.4
56.89936	3.9
57.07055	4.1
59.18258	4.0
63.79726	3.9
67.05500	43.8
69.07047	12.1
69.50907	27.5
79.05492	30.2
81.07055	44.5
83.08629	4.0
84.40833	3.5
91.05456	23.5
93.07037	41.8
95.08595	23.7
103.23948	4.0
105.07011	12.1
107.08581	18.5
109.10119	4.3
111.08042	5.2
117.06998	8.3
119.08553	10.7
121.10159	9.4
131.08551	14.8
131.39400	4.6
133.10112	11.5
135.11687	4.5
136.31609	3.8
145.10123	7.3
147.11678	5.0
149.13237	12.6
159.11674	9.6
171.11690	4.4
173.13168	4.7
185.13223	4.0
187.13127	3.8
289.99435	4.5
403.50754	4.4
437.34103	7.3
437.82401	4.2
529.31635	7.0
529.38916	100.0
530.40063	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	529.389
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	4.1
55.01854	1.8
55.05515	14.2
57.03434	3.8
57.07076	2.5
57.42709	1.5
58.08062	1.6
61.53394	1.7
65.03923	2.1
67.05507	55.9
69.07063	15.7
69.40907	17.7
71.04980	4.1
79.05492	41.1
79.46793	2.0
81.03424	2.4
81.07056	53.4
83.04984	2.8
83.08604	9.7
85.06531	3.1
89.54545	1.8
91.05482	20.6
93.07043	53.3
95.04974	11.7
95.08607	27.8
97.06520	7.0
97.10198	2.1
99.62999	1.7
105.07038	16.7
107.08598	28.9
108.65616	1.7
109.06512	2.7
109.10159	8.2
111.08084	3.6
117.07013	7.2
119.08553	9.6
121.10146	20.3
122.10031	1.9
123.08047	1.8
123.11732	3.3
131.08543	13.9
133.10146	8.0
135.11696	11.8
145.10104	6.2
147.11687	4.3
149.13261	21.3
157.10072	2.0
158.54619	1.6
159.11690	9.2
161.13202	2.2
166.78419	1.5
171.11520	1.8
173.13272	5.1
175.28175	1.8
177.12732	4.3
185.13284	2.7
187.14886	2.5
195.13792	7.6
261.22250	5.0
280.95816	1.7
317.24506	2.1
437.34177	3.7
529.38892	100.0
530.39795	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	529.3888
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.0
55.01860	1.6
55.05506	14.9
56.44335	1.3
57.03437	2.7
65.03928	2.7
66.81419	1.3
67.05506	51.8
69.07073	15.9
71.04961	3.2
71.08611	1.6
71.59937	2.3
77.03902	1.3
79.05494	39.3
81.03412	1.6
81.07059	53.7
83.04955	2.5
83.08616	8.1
85.06518	2.5
87.04496	2.8
88.07615	2.4
91.04962	2.2
91.05480	24.3
93.06469	3.0
93.07047	48.5
95.04967	6.1
95.08611	25.1
97.06527	5.8
102.09144	1.5
105.07040	15.4
107.08598	25.9
109.06496	1.9
109.10145	8.8
111.08103	3.1
117.07025	8.6
119.08602	8.6
121.10143	16.8
123.08050	1.4
123.11702	2.7
129.06982	2.6
131.08582	14.4
133.10109	10.5
135.11650	7.0
143.08568	3.1
145.10184	6.9
147.11684	5.3
149.13266	17.2
157.10155	2.8
159.11707	11.3
160.48683	1.3
161.13254	1.7
168.90039	1.6
171.11646	2.0
173.13310	3.2
177.12823	3.3
184.79384	1.3
185.13260	2.5
187.14798	2.6
195.13870	5.3
256.26346	24.4
261.22144	3.8
378.08698	1.4
419.33154	1.9
437.34195	3.4
455.35046	2.5
473.36380	2.0
511.37808	2.3
529.38867	100.0
530.39471	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	529.3346
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02099	0.3
55.01872	0.3
67.05498	0.7
69.03431	0.7
69.09371	0.4
71.04997	0.5
71.61415	0.5
71.61801	0.4
79.05473	0.4
80.30073	0.3
81.03415	0.6
81.07035	1.2
83.04958	0.5
85.02900	0.7
90.84962	0.3
91.05471	1.0
93.07038	0.8
93.85508	0.4
95.08611	0.7
97.02885	0.7
105.07017	0.8
107.08567	1.1
109.02871	1.2
109.06521	0.7
109.10175	0.4
111.04478	0.4
112.22736	0.4
119.08576	0.7
121.06512	0.8
121.10155	0.5
127.03917	0.5
129.06992	0.3
131.04916	0.6
131.08548	0.5
133.10162	0.5
135.08055	1.2
135.11682	0.6
137.05951	0.7
145.10121	0.6
149.09604	0.8
159.08043	0.6
159.11671	1.0
163.03865	0.8
163.07530	0.8
163.11130	0.4
167.07050	0.4
170.10736	0.3
173.09610	0.7
173.13280	0.8
186.10384	0.3
187.11220	1.3
201.12735	1.9
219.13904	0.4
229.12202	2.2
234.98943	0.4
247.13326	6.3
265.14417	0.3
277.00058	0.6
297.37009	0.4
308.49799	0.3
367.28461	0.5
378.24075	0.4
460.27817	0.4
511.32394	0.9
529.33459	100.0
530.33807	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.1232
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	0.8
55.53761	0.4
56.96560	19.6
57.03440	2.6
60.05066	0.4
61.02896	1.6
68.96574	0.6
69.03423	5.5
70.06569	0.7
71.04965	1.9
71.57745	0.7
71.95245	0.5
73.02915	5.1
74.97591	1.3
81.03395	1.4
83.03844	0.5
83.05020	0.4
84.95599	0.6
84.96037	7.4
85.02431	0.8
85.02902	11.7
86.03230	0.4
87.04462	0.9
91.03942	0.7
91.05453	1.6
93.07060	0.7
95.08588	0.6
97.02881	5.9
98.97578	32.4
99.04442	1.5
101.00838	0.6
102.97057	1.0
104.10768	0.9
107.04945	1.1
107.08591	0.5
109.02834	1.4
110.97562	8.2
112.99117	7.6
115.03892	1.2
115.97779	0.4
116.98612	30.8
119.00199	0.5
119.01900	2.9
119.04926	1.3
120.13621	0.5
120.98009	0.6
121.01632	0.6
121.06480	0.8
123.04411	0.7
124.99120	0.9
127.03934	4.1
128.98598	20.7
131.00166	20.0
131.01834	1.3
131.04851	0.4
133.01691	0.5
133.03412	1.3
133.04970	0.6
134.99648	18.0
137.02902	0.7
137.05975	2.7
139.00714	0.6
139.03859	0.7
140.00159	1.8
140.98572	1.7
143.00172	6.9
143.01924	1.5
144.98050	1.2
145.01689	1.2
145.03503	2.9
145.04874	2.8
146.16548	0.5
146.99646	25.5
147.04314	1.0
149.01210	25.9
151.07495	1.7
152.98605	2.0
153.00639	2.6
154.01720	1.1
154.08528	0.4
155.00063	0.7
155.01833	1.2
157.01709	0.6
157.03464	1.7
158.01317	1.0
158.99648	12.2
159.03209	0.5
161.01221	17.4
161.02896	2.5
162.99164	3.4
163.02705	1.2
163.03909	0.8
165.00699	5.2
167.02255	4.8
169.03430	0.8
170.01230	1.1
170.99644	8.0
171.04976	0.8
172.02765	1.0
173.01205	10.8
173.02919	4.0
174.99197	1.1
175.02710	1.7
175.04430	1.0
177.00705	20.4
178.04955	2.2
179.02299	4.2
181.00218	1.0
181.01732	0.7
181.98883	0.6
182.99593	1.4
183.04903	0.6
184.02789	1.0
184.04819	0.6
185.01202	2.8
185.02948	2.5
186.99100	0.8
187.02719	1.2
187.04491	1.5
189.00716	14.8
189.02299	0.6
191.02299	14.5
191.03941	1.1
193.00130	1.3
193.01752	2.6
193.03491	2.5
193.05412	0.7
195.01797	3.4
195.05238	0.7
196.02353	0.5
197.02968	1.5
199.02751	0.9
199.99925	1.1
200.02290	1.8
200.04343	0.8
201.00656	9.5
201.02527	0.6
201.04288	0.5
201.06143	0.6
203.02266	4.2
203.04022	1.4
204.04126	0.5
205.00240	0.9
205.03824	1.3
207.01738	3.8
209.03258	1.2
211.02771	6.2
211.04839	2.0
212.02370	0.9
213.00816	0.8
214.03926	1.2
215.03943	0.9
217.01915	0.5
219.01752	36.9
220.02040	0.5
221.01329	0.9
221.05052	1.5
221.06915	0.8
223.01207	2.2
223.04807	1.6
225.00568	0.5
227.02219	0.6
231.01741	1.0
231.07164	0.8
233.03195	2.8
233.06796	1.1
235.02739	1.5
235.04958	1.4
237.02808	91.4
238.03148	0.9
239.02405	0.9
242.03319	2.9
243.01772	0.8
245.05119	4.3
246.05299	1.2
247.00903	0.7
247.02922	0.9
247.04834	2.2
249.04333	1.4
251.04419	0.5
253.03815	1.1
255.01421	0.7
255.03882	9.0
257.05276	0.6
259.07358	0.5
259.57681	0.5
260.04404	5.5
261.02853	3.1
261.06073	0.6
263.03943	0.7
263.06403	0.9
264.07681	0.7
264.57822	0.6
265.02087	0.8
265.05725	0.6
272.06534	0.8
273.08206	3.5
273.58350	1.4
274.07990	0.6
275.04321	1.6
277.03760	0.7
279.03824	2.2
281.05127	4.0
281.57092	0.9
283.06793	0.9
287.06073	0.5
289.03787	2.3
289.07468	0.8
293.05243	2.6
297.59619	0.7
307.03522	0.5
307.06793	0.7
321.04956	1.4
321.10403	2.2
322.10843	0.5
323.06573	0.9
323.10107	3.5
325.08157	0.7
333.04858	0.8
337.05496	39.7
343.07300	0.6
345.58392	0.5
348.60562	0.5
349.08093	0.9
351.05975	4.5
354.10550	0.5
355.09515	13.6
358.11938	0.6
365.09335	0.9
367.08920	1.1
369.07007	1.7
373.09296	0.6
378.10748	2.0
399.07574	0.6
425.10410	1.0
441.09216	0.7
455.11722	0.6
469.10178	100.0
470.10266	1.2
487.13232	2.3
493.08588	0.6
511.10080	3.3
529.12549	25.6
530.13330	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.1227
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01921	2.2
53.03942	2.6
54.66447	2.2
56.96561	24.5
57.03432	6.7
57.94746	2.6
69.03430	7.6
71.04980	4.5
71.58612	3.8
73.02909	8.2
80.48817	2.5
84.96033	9.8
85.02899	25.6
89.03938	2.9
91.05488	5.2
97.02895	11.6
98.97588	39.9
99.05607	4.5
99.98627	2.4
105.77785	2.5
107.04946	4.7
107.08633	3.5
110.97593	8.6
111.04463	2.8
112.99132	4.0
115.03932	3.4
116.98617	34.0
119.04948	5.6
121.06480	3.4
123.04437	3.5
127.03956	6.0
128.98573	19.7
131.00191	7.7
131.04959	2.6
134.99646	20.8
135.04405	5.5
136.06169	4.2
137.05968	17.9
140.00221	2.8
143.00174	7.4
145.04930	2.9
146.99649	28.0
147.04428	13.8
149.01241	9.8
150.69336	2.6
158.99690	10.6
161.01244	19.1
162.99147	3.5
163.03914	35.5
165.00822	3.3
170.99677	9.3
173.78772	2.8
177.00725	24.3
177.48520	2.2
179.02266	5.1
179.07100	5.4
185.01149	3.0
189.00723	15.2
193.01680	2.9
195.01715	4.4
201.00725	7.4
203.02293	5.9
207.01741	5.2
211.02751	6.2
217.05444	3.0
219.01768	36.8
237.02815	96.1
253.03958	3.2
253.98872	3.4
255.03868	8.8
260.04489	6.4
289.03717	2.8
295.04941	4.2
331.07385	2.9
337.05902	56.0
349.07965	6.0
355.07123	8.4
365.50177	2.9
378.11014	3.3
387.11050	4.7
399.11462	3.2
413.05591	3.8
415.09091	3.5
423.62338	3.6
433.10461	3.6
469.10236	100.0
511.10114	3.0
529.12689	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	528.4048
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	5.9
55.01861	8.6
55.05511	40.5
55.28454	2.9
57.03432	7.2
57.07062	10.0
60.40000	3.1
64.81113	3.2
65.03934	6.3
67.05506	88.6
69.03436	4.5
69.06726	3.9
69.07072	43.5
70.02211	14.1
70.02628	6.7
71.08624	6.7
76.88278	3.1
79.05492	52.5
81.03410	9.5
81.07057	97.5
83.04977	13.4
83.08624	22.4
85.06537	4.7
91.05481	46.0
93.07039	67.7
95.04992	23.4
95.08608	61.6
97.06527	10.8
97.10157	17.4
102.45325	3.2
105.07031	43.8
107.08598	46.2
108.08129	3.4
109.06512	6.5
109.10169	31.3
110.06029	5.5
111.08103	8.2
114.82436	3.5
117.07002	13.4
119.08579	38.1
121.06503	3.4
121.10162	29.3
122.09637	4.2
123.08091	4.4
123.11698	14.9
125.09641	11.8
129.07008	9.4
131.08545	16.8
132.08090	8.2
133.10114	21.3
135.11696	15.7
137.09607	7.6
137.13260	5.5
139.11203	8.2
142.07823	3.9
142.60989	3.1
143.08574	9.8
145.10071	16.3
146.09650	5.9
147.04356	3.4
147.11693	14.5
148.11246	5.3
149.13268	13.5
151.11208	3.9
153.09250	4.7
153.12823	4.2
155.10672	9.0
157.10088	12.0
159.11731	8.9
160.11264	6.7
161.13264	20.1
163.14857	4.3
165.12688	3.6
166.66257	3.9
171.11678	8.3
173.11742	8.5
173.13222	7.4
175.14816	9.1
177.12729	3.3
185.13455	4.5
189.11240	15.5
189.12720	3.6
193.12234	8.3
199.14911	4.7
207.13869	4.6
211.13306	9.9
216.17430	19.5
234.18524	100.0
241.19522	7.8
259.20676	12.8
277.21643	93.3
295.22653	33.5
426.96457	3.5
436.32672	4.7
510.38730	3.8
528.37860	37.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.4048
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	5.6
55.01866	5.9
55.05508	49.5
57.03426	10.6
57.07068	13.1
60.09011	3.5
63.95120	3.8
67.05504	87.9
69.03413	6.2
69.07072	34.9
70.06596	6.9
70.71148	4.5
71.05004	5.6
71.08629	9.2
71.31937	7.0
76.27225	3.7
79.05492	47.7
81.03423	11.1
81.07053	100.0
83.04980	22.6
83.08624	22.7
91.05482	46.5
93.07043	57.0
95.04969	22.2
95.08605	52.6
96.42080	4.1
96.42718	3.6
97.06518	7.6
97.10172	16.4
105.07035	36.4
107.08592	40.2
108.08149	4.1
109.06547	11.1
109.10134	23.7
111.08111	10.3
117.07030	5.9
119.08571	29.3
121.10159	23.9
123.11713	17.1
125.09625	12.6
129.06982	10.1
131.08591	18.6
132.08054	4.3
133.10139	20.1
135.08057	5.4
135.11670	12.0
137.09642	5.3
139.11198	15.1
145.10133	12.4
146.09657	4.5
147.11691	18.7
148.11185	7.1
149.13251	8.7
151.11227	6.0
153.09027	4.6
153.12776	4.8
155.10681	4.9
157.10132	7.3
159.11732	9.1
160.11214	9.7
161.13274	16.6
171.11732	5.5
173.11821	5.7
173.13347	5.5
175.11208	7.3
175.14838	5.8
189.11301	10.3
193.12282	11.5
202.15962	4.9
207.13747	6.0
211.13326	14.2
216.17470	21.2
234.18512	92.1
249.22311	4.6
259.20459	5.6
272.25836	5.4
277.21628	62.3
283.26245	7.5
295.22690	31.7
482.45291	4.2
510.39291	9.5
528.40436	20.8
528.49847	25.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.3733
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.7
55.01863	1.5
55.05505	7.6
57.03438	1.9
57.07059	1.2
58.55016	0.6
65.03942	0.7
67.05504	15.5
69.07066	7.3
69.30454	4.7
69.30883	2.6
71.05001	1.1
79.05492	10.5
81.03426	0.9
81.07056	16.3
83.04988	1.3
83.08616	4.7
89.06031	1.3
91.05475	12.7
93.07044	11.7
95.04980	1.9
95.08608	11.3
97.06521	1.2
97.10175	1.8
103.05428	0.8
105.02370	0.6
105.07033	11.3
107.04919	0.8
107.08579	6.1
109.06540	0.9
109.10156	4.5
111.08054	0.7
115.05447	1.2
117.07021	9.6
119.08586	8.2
119.39738	0.6
121.10136	3.6
123.08092	0.9
123.11694	0.9
128.06227	2.8
129.06996	10.6
130.07768	0.8
131.08563	14.4
133.08499	0.6
133.10126	5.1
135.08022	1.0
135.11671	2.9
137.09631	0.9
137.13338	0.6
141.06984	2.8
142.07774	1.8
143.08560	11.4
145.06488	0.7
145.10127	11.1
147.11688	3.3
149.13220	1.4
153.07031	1.0
155.08557	8.3
156.09373	1.2
157.10130	11.3
159.11697	8.4
161.13242	1.2
167.08603	2.6
169.10127	8.8
171.11681	9.3
173.13258	5.6
179.08612	1.0
181.10172	4.2
183.11702	9.0
185.13246	6.1
187.14801	1.9
193.10196	1.4
195.11671	3.7
197.13290	5.2
199.14815	4.1
201.16370	1.1
207.11636	1.3
209.13237	3.1
211.14836	3.3
213.16454	1.3
221.13280	2.1
223.14825	1.9
225.16411	1.0
235.14876	1.7
237.16374	1.5
239.18040	0.8
247.15019	0.8
249.16515	1.0
251.18048	1.0
265.19611	0.8
271.20529	0.8
283.20667	1.4
285.18570	0.7
295.20795	1.0
297.22009	1.2
309.22134	1.8
311.23706	1.4
323.23624	1.3
327.23291	0.9
337.25198	1.3
348.33340	0.7
349.25143	0.6
417.31537	3.4
435.32590	10.3
453.33810	3.9
471.34604	1.3
473.33963	1.6
491.35208	1.4
509.36234	8.0
527.37323	100.0
528.37720	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.3731
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.6
55.01855	1.3
55.05264	0.8
55.05511	11.7
57.03423	1.9
57.07074	1.2
59.14006	0.5
65.03931	0.9
67.05503	19.5
69.03424	0.7
69.07067	7.6
71.05005	0.9
71.08627	0.6
71.60427	1.0
79.05058	0.9
79.05495	15.6
81.03416	6.7
81.06573	1.0
81.07056	18.9
83.04978	1.7
83.08606	5.8
85.06532	1.0
91.05479	13.7
93.07041	13.9
95.04964	3.6
95.08610	11.7
97.06538	1.2
97.10184	3.3
105.06377	1.0
105.07026	13.4
107.04957	0.8
107.08588	8.0
108.24493	0.6
109.06528	1.5
109.10156	5.9
111.08065	1.2
115.05453	1.3
117.07014	8.9
119.08582	9.9
121.06531	0.6
121.10122	6.4
123.08069	1.4
123.11709	1.3
125.09634	2.4
128.06213	2.0
129.07002	8.7
130.07805	0.8
131.08563	14.1
133.06410	0.6
133.10135	6.8
135.08064	1.0
135.11682	3.7
137.13264	0.7
141.06995	3.3
142.07787	2.4
143.08548	12.1
145.10121	10.6
147.08064	0.7
147.11665	4.1
149.09648	1.2
149.13272	1.6
155.08560	7.1
156.09312	0.8
157.10129	11.2
159.11688	8.5
161.13269	1.3
167.08566	2.3
168.09265	0.5
169.10133	9.4
171.11682	10.2
173.13261	4.9
175.14807	0.8
181.10115	4.5
182.10779	0.8
183.11720	8.8
185.13231	6.0
187.14847	2.0
189.11205	1.2
193.10266	1.1
193.12273	3.3
195.11656	3.8
197.13272	5.9
199.14799	3.2
199.56061	0.6
201.16338	0.8
205.10260	0.7
207.11626	1.2
209.13269	2.6
211.14832	3.6
213.14615	0.7
213.16431	1.4
221.13277	1.3
223.14836	2.3
225.16333	1.3
233.15459	0.6
235.14874	1.5
237.16371	1.1
239.17984	1.0
249.16414	0.7
251.18063	0.8
255.17714	0.5
261.22278	0.9
267.21210	0.6
269.18832	0.8
271.20706	0.5
283.20831	0.6
291.83008	0.6
295.20645	0.6
297.22208	1.3
301.25394	0.9
309.22177	1.5
311.23608	1.3
315.23206	0.9
323.23862	1.2
325.25195	0.9
327.23306	1.0
335.23703	1.1
337.25174	0.8
341.24576	1.1
349.24896	0.8
353.24960	0.8
381.27338	0.7
415.28610	0.7
417.31534	4.1
435.32578	10.9
453.33673	4.9
471.34894	3.2
473.34085	0.8
491.35306	1.2
509.36316	6.6
527.37317	100.0
528.37762	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	527.3733
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.9
55.01871	2.3
55.05511	12.2
57.03451	2.0
57.07069	1.6
59.04993	0.5
65.03931	1.4
65.05573	0.4
67.05503	22.4
69.03436	1.0
69.07065	5.1
71.04988	1.2
72.37238	0.4
77.12598	0.4
79.05491	17.3
81.03417	13.0
81.07055	19.4
83.04972	1.7
83.08617	7.3
85.06528	1.1
91.05479	15.1
93.06464	0.9
93.07045	15.1
95.04974	4.9
95.08601	12.6
97.06553	1.0
97.10168	5.2
99.08103	0.5
105.07032	13.9
107.04987	1.3
107.08589	10.0
109.06533	1.0
109.10155	8.3
111.08092	1.7
115.05499	1.1
117.07004	7.7
119.08573	9.9
119.09354	0.7
121.06532	0.6
121.10146	6.9
123.04401	0.5
123.08054	1.0
123.11713	1.4
125.09631	4.2
127.89058	0.5
128.06181	2.1
129.06993	7.9
130.07828	0.8
131.08559	13.2
133.06505	0.8
133.10120	5.8
135.08047	1.0
135.11682	3.3
137.13252	0.6
141.06985	3.0
142.07782	1.8
143.08566	9.1
145.06563	0.5
145.10126	10.5
147.08151	0.5
147.11678	4.9
149.09599	0.9
149.13263	1.8
154.07790	0.5
155.08554	5.8
156.09332	0.5
157.10118	8.8
159.11681	6.9
161.13295	2.0
163.14888	0.7
165.12784	0.7
167.08571	1.8
168.09378	0.7
169.10124	6.6
170.10698	0.4
171.11671	8.0
173.09697	0.5
173.13261	4.5
175.11209	1.4
175.14876	0.9
179.08606	0.8
181.10107	3.0
183.11687	7.3
185.13275	5.2
187.13367	0.4
187.14761	2.3
189.11201	1.6
189.12788	0.5
193.10321	0.9
193.12209	5.9
195.11687	2.6
197.13272	5.1
199.14810	3.4
201.16455	0.7
204.37355	0.4
207.11702	1.2
209.13293	2.3
211.14844	2.9
213.14629	0.5
213.16499	1.3
217.15834	0.5
221.13318	0.9
223.14946	2.3
225.16496	0.9
227.18098	0.5
235.14815	0.6
237.16367	1.2
239.18005	0.8
243.21092	0.8
249.14702	0.7
251.18024	0.6
259.20547	0.6
261.22217	2.0
263.17932	0.5
267.21069	0.5
269.18973	0.5
283.20508	0.5
285.22119	0.6
295.20718	0.5
297.22198	1.4
299.23645	1.2
301.21964	0.5
301.25272	1.3
309.22079	0.8
311.23578	0.6
317.24847	1.1
323.23688	0.6
327.23135	1.1
339.23181	0.6
341.24677	0.7
355.26340	0.5
367.26102	0.6
407.33124	0.8
417.31586	3.1
434.32562	0.5
435.32635	9.1
453.33585	5.5
471.34744	3.7
473.34085	0.9
491.34998	1.0
509.36148	5.1
527.37299	100.0
528.37677	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	526.3013
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.5
55.01880	8.8
55.02107	1.8
55.05270	1.9
55.05511	29.5
56.05038	3.0
57.03437	12.1
61.26197	1.7
65.03931	3.3
67.05182	1.8
67.05505	28.2
69.03424	5.9
69.07053	7.8
69.30225	4.0
69.30630	17.0
70.02949	4.9
71.04973	6.0
72.04516	100.0
73.65866	1.9
74.72395	1.6
75.14714	1.7
79.05490	38.9
80.04994	11.9
81.03414	53.6
81.07055	41.4
82.02941	2.6
82.06598	11.5
83.04978	13.4
83.08219	1.7
83.08618	19.0
84.04492	2.4
85.02908	19.3
85.06509	3.4
91.05476	37.7
93.07037	20.7
94.06569	2.7
95.04966	23.5
95.08609	15.4
96.04482	13.0
96.08070	1.8
97.02821	1.6
97.06500	3.2
97.10153	6.3
98.20681	3.9
99.04464	1.6
105.07019	28.6
106.06528	2.2
107.04935	8.6
107.08597	17.8
108.04482	13.9
109.05256	2.3
109.06516	4.8
109.10141	7.6
109.35055	1.9
110.06031	5.7
111.08065	6.2
115.05428	3.2
117.06989	4.2
118.06565	2.0
119.04894	4.6
119.08569	19.7
121.10133	8.2
121.44152	1.6
122.06009	4.9
123.07999	2.6
124.11219	7.5
125.09602	4.8
129.07004	7.6
131.08580	10.6
131.09378	1.6
133.06470	3.4
133.10101	13.6
135.08047	4.9
137.09587	2.1
142.07806	2.9
147.04404	14.3
147.08112	2.0
147.11661	11.0
148.04773	1.8
149.09595	5.8
152.55173	1.9
157.10114	13.7
160.11285	3.3
163.03966	2.6
165.12759	2.6
170.11752	2.9
171.39520	1.8
175.11180	13.8
177.12723	5.2
178.12300	11.7
188.10701	2.7
193.12245	43.8
194.15437	3.2
206.11768	6.1
211.13292	67.0
224.12839	18.7
246.14883	4.5
247.13397	4.8
267.15930	22.4
280.15421	11.1
285.16971	38.9
298.16495	67.9
364.24783	3.5
429.44919	2.1
490.28226	8.1
508.28958	21.3
526.30219	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	527.245
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.4
54.04699	0.7
55.01877	6.0
55.05507	6.3
55.05734	1.1
56.96544	1.2
57.03181	1.0
57.03434	10.8
57.07064	0.9
61.02933	5.3
63.99857	0.6
65.03918	0.9
65.06457	0.7
67.05173	0.8
67.05505	11.3
69.03427	3.5
69.07056	4.5
71.04995	1.2
73.02918	3.9
78.04699	0.8
79.05492	13.3
80.06266	0.8
81.03410	20.0
81.07058	13.7
82.04197	3.3
83.04975	10.6
83.08624	5.0
85.02905	7.0
85.06566	1.2
90.05343	0.7
91.03948	2.9
91.05476	17.3
91.39568	0.7
93.07037	13.0
94.04175	2.2
95.04962	17.0
95.08615	6.1
96.05737	0.8
96.54133	0.8
97.02905	4.6
97.06541	5.1
97.10170	2.0
97.30317	0.7
98.07301	2.7
98.20706	1.4
99.08157	1.1
103.03896	0.8
105.07024	12.1
107.04954	7.1
107.08588	6.9
109.02877	1.5
109.06516	2.3
109.10126	2.2
109.94230	0.7
110.07356	1.0
111.04440	1.3
111.08096	3.5
112.13219	0.7
116.04709	14.5
116.98556	0.9
117.05453	1.1
117.07018	2.6
119.08579	8.5
120.09354	0.9
121.06491	3.2
121.10161	5.2
123.08062	11.9
123.11682	1.1
124.03946	0.9
125.09593	1.2
127.03916	1.7
129.05481	31.4
129.06934	6.0
131.08562	7.1
133.10141	11.2
134.99577	0.9
135.08046	2.6
135.11691	1.9
136.08734	0.8
137.05968	1.2
137.09616	3.3
142.07736	1.6
143.07045	11.3
143.08145	1.3
145.05026	0.7
145.10095	2.8
147.04401	3.3
147.08046	1.9
147.11682	9.0
149.09593	3.1
151.07445	0.8
151.11194	1.4
157.08592	21.9
157.10104	7.0
161.09641	1.1
163.03886	1.3
163.11145	3.7
164.11929	1.6
165.12694	1.3
167.07059	1.9
171.10141	4.0
175.11160	6.2
185.11652	2.9
191.10655	4.6
192.11359	1.3
193.10503	0.6
193.12227	12.3
199.13284	2.3
200.14084	10.5
209.11702	1.5
211.13281	21.7
213.11284	0.9
217.08565	2.4
221.68475	1.0
226.11978	1.1
227.12737	3.3
229.62627	1.1
238.10626	1.2
239.02202	2.3
241.14259	1.0
255.15915	1.3
256.11819	6.3
256.16788	0.9
257.03381	3.5
266.14999	1.5
267.15906	31.0
273.18320	0.8
283.15350	2.0
284.16147	7.2
285.16855	2.0
312.14444	2.8
330.15451	100.0
331.16129	1.0
347.22226	1.4
429.21075	1.2
465.41290	0.8
483.25681	1.1
492.21188	1.5
527.24451	4.6
527.31812	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	526.3011
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.4
55.01875	6.4
55.05508	24.2
56.05016	1.6
57.03437	13.5
59.04974	1.7
65.03910	1.8
67.05502	32.7
68.01377	1.3
68.05020	1.6
69.03430	5.0
69.07068	7.5
70.02934	4.0
71.04979	4.5
72.04514	100.0
79.05491	34.5
80.05013	8.3
81.03417	53.3
81.07052	34.7
82.02920	3.6
82.06570	10.1
82.56803	1.0
83.04971	13.6
83.08147	1.4
83.08614	22.5
84.04505	1.3
85.02896	19.0
85.06535	3.2
91.05480	34.9
92.04948	1.3
93.07040	19.5
94.06565	2.6
95.04971	23.5
95.07414	0.9
95.08604	11.2
96.04494	10.6
97.02858	2.1
97.06509	3.5
97.10175	6.3
98.06046	2.1
99.08097	1.3
103.05441	1.4
105.07024	21.5
106.06541	1.9
107.04960	5.6
107.08598	11.3
108.04475	14.2
108.08061	1.3
109.05251	1.7
109.06505	5.6
109.10145	3.8
110.06062	5.3
111.04465	1.8
111.08079	10.8
113.06017	2.3
115.05492	1.6
117.07004	4.2
118.06525	2.1
119.04932	1.0
119.08575	13.7
120.08115	1.6
121.06528	1.9
121.10138	7.0
122.06015	2.6
122.09582	1.3
123.08053	3.8
123.11703	1.8
124.11186	5.6
125.09633	4.5
126.05488	1.4
128.06227	1.3
129.06999	9.8
131.08569	9.9
133.06461	2.1
133.10139	10.0
134.06039	1.0
134.09642	1.8
135.08041	5.2
136.07552	2.2
137.09590	2.3
142.07779	3.1
144.08069	1.2
145.10130	2.9
147.04349	2.2
147.08012	2.5
147.11671	10.4
149.09633	4.5
150.09093	1.7
153.09114	1.6
157.10121	11.3
160.11227	1.2
163.03859	1.2
163.11163	1.2
165.12738	1.3
170.11729	3.1
175.11180	14.3
178.12280	11.8
188.10742	2.3
189.11227	1.8
193.12242	42.6
206.11763	6.4
208.13490	1.3
211.13287	68.2
212.13870	1.1
224.12833	16.6
227.12747	4.0
229.61627	1.1
242.13815	1.2
246.14822	6.3
247.13268	4.2
267.15894	18.8
280.15439	15.0
285.16962	44.5
298.16479	73.2
321.17114	1.1
335.30569	1.1
472.27023	1.1
490.28067	9.1
508.28992	22.0
526.29889	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.3635
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48590	1.5
53.03934	3.1
55.05510	14.1
57.03429	2.2
57.07065	5.7
59.04982	1.9
59.06125	2.9
61.02926	1.8
65.40501	1.5
67.05506	19.4
69.03435	3.5
69.07069	32.7
69.40784	16.4
71.04987	5.8
79.05490	15.3
81.03416	2.3
81.07055	88.0
83.04957	2.4
83.08617	11.0
85.02906	15.5
85.06547	31.2
91.05471	4.3
93.07045	26.3
94.87952	1.7
95.08604	66.9
97.02875	4.5
97.06503	3.1
97.10174	10.4
99.04424	2.2
99.08092	23.3
105.07039	6.8
107.08593	28.7
109.06487	1.8
109.10153	42.2
111.08067	9.0
111.11731	11.2
113.09634	5.4
119.04925	1.8
119.08586	4.2
121.10149	29.4
123.11718	22.8
125.09625	3.8
127.03882	4.1
127.11195	2.2
128.07083	3.0
133.10121	4.4
135.04420	2.8
135.11690	14.1
137.05978	3.7
137.13257	15.5
139.11182	5.3
145.02858	1.9
145.05025	1.9
145.10147	1.7
147.04411	2.2
147.11609	3.8
149.13252	31.3
151.14896	2.5
153.12703	2.4
158.88727	1.5
161.13234	3.1
163.03929	15.9
163.14816	12.3
164.34241	1.5
167.07176	1.9
167.14297	4.0
177.05504	3.1
177.16374	19.4
184.41774	1.5
189.16255	2.2
191.17963	2.5
195.17404	17.1
197.19058	2.4
203.17964	2.1
209.19023	2.3
213.18494	80.9
216.07564	8.4
217.08340	2.7
217.19481	3.3
223.09644	1.8
227.20071	2.0
235.20656	2.9
261.25916	2.8
273.25815	4.2
279.26849	3.8
291.26761	19.1
297.27875	14.6
309.27866	40.5
326.64029	1.7
327.28928	42.2
331.09845	4.6
345.29865	2.2
348.34216	1.5
355.58011	1.7
379.13440	4.2
465.17334	1.6
525.19403	100.0
526.19562	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	525.3634
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	12.2
57.03434	2.2
57.07058	6.0
57.34177	1.9
61.02914	2.5
67.05506	28.2
67.72195	1.9
68.84271	2.2
69.03419	4.9
69.07062	31.1
69.33670	2.0
69.46466	15.1
69.46880	6.5
71.04977	2.0
78.29209	2.0
79.05494	14.5
81.03400	2.8
81.07057	100.0
83.08620	17.4
85.02897	21.2
85.06540	26.5
91.05466	7.5
93.07045	28.3
95.08605	97.9
97.02863	3.7
97.10165	13.7
98.21500	5.5
99.08089	28.7
103.38848	2.4
105.07025	10.5
107.08604	35.4
109.10156	65.0
111.08076	5.7
111.11700	9.6
113.09620	9.1
119.08566	10.1
120.49236	1.9
121.10135	25.0
123.11708	39.5
125.09619	5.5
127.03944	3.3
127.11165	6.0
133.10100	6.4
135.11690	24.2
137.13290	16.6
145.04907	3.1
147.11682	7.5
149.13266	49.8
151.14758	5.6
161.13266	8.2
163.14822	38.9
165.16400	5.4
167.14340	2.5
175.14775	3.7
177.16364	17.6
181.15843	3.0
189.16396	6.7
191.17921	10.5
193.19545	3.3
195.17421	5.2
197.19066	4.2
203.17961	7.0
205.19562	3.7
209.18985	6.9
211.20447	3.0
217.19495	11.7
219.21210	3.0
221.18965	3.7
235.20605	7.3
247.24185	3.3
265.25232	5.6
273.25775	26.0
279.26761	6.9
291.26825	86.5
309.27878	43.9
327.28888	11.6
395.13083	2.3
417.29926	2.9
453.32120	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	524.3711
Annotation	2-octadecanoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
55.05500	0.4
56.05024	1.0
57.03436	0.6
57.07072	2.6
58.06568	1.4
60.08162	17.5
60.59920	0.2
67.05495	0.6
69.07059	0.7
69.95111	0.8
69.95515	0.6
71.07372	6.7
71.08633	1.9
80.86455	0.2
81.07048	0.8
83.08614	0.5
85.10181	1.0
86.09702	52.4
95.08619	1.0
97.44359	0.2
98.21554	0.3
98.98464	3.3
104.10739	100.0
104.39838	0.3
105.11095	0.4
107.77042	0.2
109.10159	0.3
125.00000	27.2
127.29606	0.2
137.13342	0.2
141.51541	0.3
143.01033	0.4
163.01563	0.9
166.02649	0.3
184.07332	99.9
258.11084	1.0
341.30444	1.6
447.28351	0.4
506.36087	9.6
507.35349	0.3
524.37109	47.1
525.37445	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.2
55.05502	2.1
57.03438	9.7
58.50224	0.6
59.05003	1.1
61.02920	1.7
65.03935	0.6
69.03428	4.6
71.01337	1.3
71.04991	67.4
71.58154	1.4
73.02924	3.7
75.04471	7.6
75.41899	0.6
80.05010	1.4
81.03416	1.7
83.04978	12.6
83.05455	0.9
84.57307	0.6
85.02903	100.0
87.04474	2.3
95.04975	0.9
95.82664	0.6
97.02898	2.7
99.04466	3.2
103.04001	1.5
107.04889	0.7
108.04490	1.3
109.02876	1.0
110.03690	1.0
111.04440	10.2
123.04443	1.0
127.03909	5.0
129.05484	43.0
136.04063	1.8
136.05174	11.5
137.04761	1.3
140.03516	0.8
145.04948	3.3
146.08139	3.4
147.06519	27.3
163.03908	0.8
163.06042	4.9
164.03479	1.8
164.09171	10.1
169.05002	1.9
173.04526	2.6
182.04492	49.8
183.06488	1.0
184.07349	1.8
194.47249	0.8
200.05539	25.6
217.07144	0.9
255.08658	6.4
273.09692	1.5
291.10748	2.2
309.11710	4.2
517.64844	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.3035
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	1.1
57.07066	0.8
67.05486	1.9
69.03413	0.9
69.07059	2.0
69.94477	1.2
69.94899	1.1
71.04972	1.5
79.05470	0.9
81.03398	1.5
81.07062	4.5
83.04958	1.2
83.08643	1.1
85.02902	1.9
85.06532	1.3
91.05476	1.7
93.07036	2.1
95.04983	0.9
95.08606	2.3
97.06572	0.6
97.10149	0.6
99.08049	0.8
105.07022	1.4
106.36510	0.4
107.04967	0.8
107.08578	1.9
109.02880	1.0
109.06515	0.7
109.10151	2.3
111.04427	1.7
111.08070	0.5
119.08554	0.9
121.06525	1.2
121.10132	1.2
123.11704	1.0
127.03891	1.0
131.04921	0.5
133.10130	0.9
135.04446	0.5
135.11676	1.1
137.05971	1.3
137.13211	0.4
145.02930	0.5
145.10147	0.4
147.04399	0.7
149.13292	0.8
163.03914	1.8
167.07030	0.8
187.07544	0.4
203.05276	5.5
217.19537	0.5
223.20303	0.4
239.58379	0.5
241.21468	0.7
250.26227	0.6
277.17664	0.5
289.05231	0.6
291.26691	0.7
292.57315	0.4
309.27713	2.2
323.41898	0.4
327.25208	1.3
327.28751	0.8
345.23938	10.4
347.25638	0.8
439.22681	0.7
481.24197	1.1
525.23383	6.6
525.30310	100.0
526.30298	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.2621
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.8
55.01857	4.4
55.05513	3.9
57.03439	1.7
62.06082	0.5
65.03912	0.5
67.05501	4.1
69.07058	4.2
71.04961	0.6
71.08650	0.5
71.20026	0.8
71.20364	0.6
72.04509	1.0
76.34274	0.4
79.05488	4.1
81.07055	20.8
83.04989	2.7
83.08607	2.2
85.02894	0.9
85.06509	0.5
91.05456	2.6
93.07056	4.0
95.08607	5.5
97.06541	1.4
97.10209	0.6
99.08100	0.5
105.07043	2.9
107.04993	0.7
107.08595	4.3
109.06506	8.4
109.10149	2.8
111.04434	16.0
111.05204	0.8
111.08102	1.1
117.06980	1.0
119.04967	0.8
119.07848	0.5
119.08587	3.4
120.00842	0.4
121.06474	0.6
121.10143	4.1
123.08059	1.6
123.11669	2.2
124.01529	0.6
125.05993	5.1
131.08597	2.3
133.10120	5.4
135.08049	2.7
135.11696	5.1
137.05969	100.0
137.13188	2.6
138.06322	1.4
139.07515	0.8
143.08556	1.5
145.10146	1.5
147.04399	1.6
147.08063	1.0
147.11679	6.8
149.09637	4.6
149.13248	1.6
151.07487	2.6
151.11160	1.5
157.10147	1.9
159.11736	0.6
161.09610	5.7
161.13264	2.5
163.03975	0.6
163.11208	3.0
163.14856	0.7
165.09117	1.8
165.12807	0.6
167.10622	0.9
168.11946	0.5
171.11674	1.4
175.11153	4.5
175.14844	1.9
177.09097	0.5
177.12636	0.5
179.10645	2.5
181.12253	0.9
185.13234	0.5
189.12714	1.3
193.12180	1.2
197.13202	0.6
203.14316	0.5
203.17957	7.2
205.19490	0.6
213.16368	2.4
216.06340	1.0
221.19026	2.0
223.14845	1.0
231.17412	10.0
249.18492	6.6
276.19543	1.0
277.17978	37.2
278.18246	1.0
283.15497	0.5
295.19031	16.8
320.22244	3.2
351.21646	57.6
352.21884	1.1
383.24265	59.0
384.24707	1.6
431.18121	2.4
449.18921	0.7
474.22672	1.4
474.65305	0.6
492.23502	3.6
500.25150	0.6
506.27084	0.7
524.26276	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.1951
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69929	0.6
53.03946	1.9
55.01865	1.2
57.03441	1.3
59.83026	0.6
61.09817	0.6
62.32378	0.5
65.03939	0.9
66.04726	0.7
67.05501	0.9
69.03435	1.0
69.63487	4.3
75.04468	1.8
75.92343	0.5
77.03910	0.9
78.04721	0.9
79.05489	4.9
81.03414	0.9
81.07050	0.9
81.09751	0.5
82.58089	0.5
85.02911	1.8
88.10366	0.5
89.03892	0.6
89.06074	0.6
90.04730	0.6
91.05473	6.7
92.06250	0.6
93.03410	4.1
93.07041	2.0
93.54477	0.7
95.04958	4.3
97.06514	1.3
103.02692	0.4
103.05462	9.5
105.07028	14.8
105.07683	1.1
106.04164	7.3
107.04954	4.6
107.08517	0.7
108.05767	0.6
108.59559	0.6
109.02884	1.3
109.06506	1.7
109.07848	0.6
115.05460	1.3
118.04159	18.4
119.04939	2.3
120.05733	1.7
121.06502	11.9
122.07252	1.4
123.04404	0.9
123.08057	0.6
124.05210	8.3
125.05988	3.0
131.04953	2.9
131.08572	0.6
132.05717	1.3
133.06488	27.4
134.03654	1.6
134.07275	2.0
135.04414	3.9
135.08080	4.3
137.05988	5.8
139.07591	0.8
147.04388	1.1
148.05191	2.1
149.05978	18.8
150.06757	9.5
151.07523	4.7
153.09119	5.3
160.46761	0.6
161.05962	5.0
163.03902	4.2
163.07571	2.3
165.09109	19.6
167.07051	5.1
175.07605	1.2
177.05463	13.2
178.06247	1.2
181.08586	10.1
191.07034	4.8
192.07907	1.3
193.08603	100.0
194.08997	1.7
195.06601	1.5
209.08087	74.3
210.08447	1.4
223.00734	0.7
223.04266	8.1
312.08783	0.7
353.13617	1.0
385.16208	1.2
524.28888	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	524.14
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.4
55.05533	0.3
57.03436	1.6
58.08845	0.3
61.02932	0.3
62.57946	0.3
64.11719	0.2
67.05498	1.1
68.14007	0.3
69.03429	1.4
70.06576	0.3
79.05473	0.9
81.03397	0.6
81.07050	0.8
82.07379	0.3
82.76773	0.3
83.08598	0.5
85.02908	1.3
89.03920	4.1
91.05459	0.3
91.32288	0.2
93.07035	0.5
95.08591	1.2
97.02901	2.6
97.06483	0.4
98.20741	0.7
99.04432	0.5
107.04943	1.7
107.08604	0.3
109.02872	0.7
109.10136	1.0
110.10513	0.3
112.71210	0.2
117.03373	5.2
117.05490	4.8
118.05849	1.0
119.04926	0.6
121.10065	0.4
127.03900	0.6
131.04916	0.3
135.04414	12.9
135.11681	0.5
136.05199	0.4
136.12018	0.5
137.05949	0.6
145.02840	8.9
145.03978	0.4
147.04408	0.6
163.03896	100.0
164.04248	1.1
167.06963	0.4
175.03773	0.3
177.09088	0.3
181.04900	1.2
182.04507	1.1
186.05446	0.4
207.06584	0.4
208.06860	0.4
209.18948	0.3
227.20036	0.5
228.20520	0.4
281.12436	0.3
300.44336	0.3
307.08124	0.8
322.71194	0.3
325.09167	6.6
344.25073	0.3
367.40488	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.1952
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21080	0.6
53.03949	1.3
55.01866	1.5
57.03437	1.7
65.03933	1.2
67.05498	0.9
70.53913	1.9
75.04471	2.1
78.04682	1.1
79.05486	5.8
81.03424	0.7
81.07056	1.9
84.71275	0.5
85.02891	1.4
89.06052	0.6
91.05472	7.8
93.03400	4.5
93.07028	3.2
95.04964	3.7
95.08591	0.8
97.02934	0.7
97.06539	1.1
103.05462	8.7
103.64937	0.5
104.06236	0.6
105.04549	0.6
105.07029	14.4
106.04170	9.8
107.04952	4.2
108.05743	0.8
109.02863	1.2
109.06513	2.1
115.05449	1.8
117.07013	0.5
118.04156	17.4
119.04949	2.7
120.05716	2.1
121.02853	0.5
121.06499	13.0
122.07299	1.7
123.04478	1.0
123.08067	0.7
124.05207	8.5
125.05988	2.9
131.04901	3.1
132.05688	1.6
133.06479	24.5
134.03606	1.9
134.07266	2.2
135.04437	3.8
135.08032	4.0
137.05954	5.1
139.07526	1.2
145.02840	0.7
147.04382	1.8
147.08058	0.7
148.05127	1.8
149.04764	1.0
149.05971	21.2
150.06758	9.0
151.07506	4.4
153.09076	4.4
159.04385	0.9
161.05968	5.8
162.01285	0.7
163.03906	3.9
163.07501	2.5
164.04216	0.5
165.05492	0.9
165.09103	17.5
166.06239	0.7
167.07054	4.5
175.07484	1.0
177.04327	0.5
177.05467	13.9
178.06230	0.9
181.08588	11.1
190.00836	0.7
191.07028	5.5
192.07829	0.9
193.08597	100.0
194.08904	0.9
195.06516	1.8
209.08078	78.4
211.33299	0.5
223.04239	8.6
231.30893	0.5
243.95561	0.5
312.08990	0.7
337.23721	0.5
353.13947	0.8
357.17050	0.7
385.16370	1.3
403.86841	0.5
524.20837	0.6
524.28760	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	523.3993
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72038	1.9
55.05512	11.2
57.03431	2.9
57.06827	2.6
57.07077	32.7
63.74847	2.0
67.05502	22.6
69.03436	3.0
69.07070	9.8
71.05003	3.3
71.08628	20.6
71.60502	3.2
79.05489	12.0
81.03416	30.8
81.07059	28.7
81.31802	1.9
83.04984	5.1
83.08627	19.2
85.02902	11.8
85.10194	10.9
87.33238	2.2
91.05468	17.1
93.07025	9.7
95.04952	14.1
95.08604	25.7
97.02898	2.8
97.06548	4.1
97.10160	6.6
100.64058	2.3
105.07021	10.1
107.08601	5.1
109.06456	2.9
109.10155	8.6
111.08092	4.4
119.08591	8.3
121.10176	4.3
123.08066	3.1
123.11725	4.1
129.07010	5.7
131.08508	2.2
133.10129	2.9
137.13264	2.9
147.11679	5.8
149.09613	3.5
157.10118	5.9
175.11189	8.7
184.07381	3.6
193.12228	25.6
208.08580	2.2
211.13330	34.0
239.23756	6.5
267.15900	6.1
313.27338	5.5
505.38812	6.0
523.39899	100.0
524.40698	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3993
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.8
55.01866	1.4
55.05507	8.1
57.03428	4.1
57.07076	25.4
60.41304	1.1
64.17118	1.0
65.03931	1.0
67.05172	1.3
67.05504	17.1
69.03416	2.5
69.07059	8.5
69.30605	5.5
69.31033	6.0
71.04992	1.7
71.08628	19.5
73.77781	1.0
79.05487	9.8
81.03413	26.4
81.07052	24.6
83.04996	6.0
83.08611	17.2
85.02905	15.9
85.06548	1.4
85.10176	12.8
91.05477	12.2
93.07041	7.0
95.04971	10.7
95.08607	18.5
97.10163	4.1
98.20766	1.9
105.07014	8.5
107.04951	2.4
107.08570	2.9
109.06506	1.4
109.10152	9.5
111.04443	1.3
111.08088	4.1
111.11732	1.2
113.05982	2.0
115.90050	1.1
119.08572	8.7
121.10139	4.7
123.11679	5.1
129.07013	4.8
131.08565	2.9
133.10121	3.3
137.09601	1.3
137.13300	1.4
142.07790	1.3
147.08043	1.4
147.11682	4.6
149.09619	2.3
154.56802	1.1
157.10092	5.3
175.11218	6.9
193.12242	24.3
193.13618	0.9
211.13290	32.3
223.82690	0.9
239.23677	5.4
249.14986	1.1
257.16956	1.2
267.15836	6.7
313.27338	5.7
505.38861	3.1
523.39929	100.0
524.40100	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	523.3994
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.2
55.01855	0.8
55.05507	9.5
56.02779	0.5
57.03436	5.4
57.07076	29.7
57.14087	0.5
57.89129	0.5
65.03925	0.9
67.05502	18.8
69.03436	2.5
69.07065	8.8
71.05004	2.7
71.08628	17.6
76.89932	0.5
79.05489	9.9
79.98636	0.5
81.03414	29.3
81.07055	23.4
83.04982	4.5
83.08614	18.8
83.09116	0.9
85.02424	1.1
85.02901	14.8
85.06538	1.1
85.10181	9.5
91.04967	0.9
91.05482	12.6
92.26539	0.5
93.07039	7.1
95.04962	11.0
95.08608	19.4
97.02885	1.5
97.06527	1.2
97.10159	5.8
98.20734	1.4
105.07027	9.9
107.04962	2.7
107.08598	3.7
109.06501	2.1
109.10154	9.2
111.04438	1.1
111.08083	4.8
111.11745	0.7
113.05986	1.2
115.05444	0.7
117.06964	0.7
119.08574	9.0
121.06486	0.8
121.10139	4.4
123.08077	0.8
123.11714	3.0
125.09651	0.6
125.13239	0.5
129.06985	4.1
131.08575	4.7
133.06497	0.8
133.10127	2.9
135.11682	0.6
137.13298	1.3
142.07747	1.3
145.10126	1.0
147.08034	1.9
147.11694	5.2
149.09624	2.8
157.10120	5.5
165.12782	1.5
165.16518	0.6
175.11179	7.4
184.07318	1.0
193.10432	0.7
193.12242	24.6
211.13283	30.6
221.22627	0.8
239.23645	5.2
249.14827	1.3
267.15906	6.5
285.16983	0.6
313.27368	5.4
479.08142	0.6
505.39056	3.2
523.39935	100.0
524.40436	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	523.3476
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.7
55.05513	16.5
57.03407	3.2
57.07073	13.4
61.02925	3.3
67.05502	33.9
69.03442	4.2
69.06727	3.2
69.07069	41.5
70.16418	2.4
70.39322	10.9
71.04979	6.0
73.33001	2.8
79.05498	22.9
81.03410	5.4
81.06580	5.8
81.07051	100.0
83.04976	14.0
83.08601	13.5
85.02899	12.2
85.06537	34.0
91.05489	15.5
93.07038	44.3
95.04935	10.9
95.08602	87.8
97.02921	4.5
97.06522	8.0
97.10167	10.5
99.08076	12.7
105.07032	29.9
107.04892	3.5
107.08595	40.2
109.02877	6.4
109.06455	4.3
109.10154	50.2
111.04414	4.1
111.08070	6.0
111.11721	9.7
113.09653	5.1
117.06987	3.8
119.08590	25.7
121.10155	31.8
122.03590	2.8
123.08055	4.1
123.11712	21.4
125.09609	6.2
127.11196	4.5
131.08534	10.4
133.10121	15.5
135.04424	2.9
135.07988	2.7
135.11682	25.6
137.05951	20.5
137.09578	6.1
137.13243	9.0
138.06226	3.8
139.11159	8.3
145.10092	16.0
147.11713	21.6
149.13260	28.7
157.10231	2.6
159.11641	14.0
161.05971	3.3
161.13222	15.7
163.03940	18.7
163.07578	3.7
163.14784	12.5
165.12729	8.0
167.07045	2.8
167.14363	3.8
173.13242	3.9
175.14771	7.5
177.09096	4.7
177.16342	8.1
179.14346	5.4
187.14680	4.2
189.16400	7.4
190.74712	3.0
201.16551	3.5
209.19029	7.2
209.20840	2.7
213.18477	6.0
215.18011	5.1
227.20071	5.3
237.02414	2.8
271.24185	10.7
277.25262	18.7
289.25305	34.6
295.26303	11.0
304.79385	3.4
307.26288	35.3
325.27362	25.5
343.28394	16.0
361.29361	4.8
430.34451	3.1
523.21277	4.0
523.28400	6.8
535.54517	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	523.3475
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88374	7.6
55.05508	12.8
57.32520	8.6
67.05505	29.8
69.07056	34.2
69.59192	45.8
69.59601	19.0
70.06605	42.1
71.04974	11.3
79.05498	23.8
81.07056	100.0
83.08595	15.9
85.02905	18.1
85.06570	13.3
91.05466	26.5
93.07044	40.0
95.08610	72.9
96.77766	9.9
97.02921	9.5
97.10167	10.7
105.07037	29.2
107.08605	37.0
108.11487	8.8
109.10138	50.7
111.11781	9.2
113.09764	8.9
119.04959	27.6
119.08592	27.5
120.08141	16.1
121.10127	19.8
123.11691	8.8
124.57335	9.7
127.03912	9.2
131.08611	12.5
133.10130	23.9
135.11697	25.7
137.05920	19.3
145.02908	23.0
145.10043	11.6
147.04417	21.4
147.11754	18.3
149.13260	25.5
159.11729	15.0
159.80319	8.7
161.13229	16.2
163.03900	79.2
163.14764	20.4
175.03981	35.0
175.14902	14.7
189.16389	13.4
189.64946	8.9
195.22820	9.0
207.06512	54.0
229.15477	13.0
271.24390	16.8
277.25235	11.2
286.17508	10.5
289.25247	46.1
307.26273	30.2
325.09329	10.9
382.10818	9.0
389.93185	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	522.3554
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	0.5
56.05035	0.4
58.06351	0.3
58.06621	0.5
58.81773	0.2
60.08164	5.7
67.05495	0.2
69.07056	0.4
69.63840	0.5
69.64252	1.1
71.07375	2.2
73.30691	0.2
75.30975	0.2
81.07048	0.3
83.08638	0.3
86.09705	27.8
98.20804	0.4
98.98462	2.1
99.10998	0.2
104.10744	3.0
124.98652	0.3
125.00003	19.2
184.07338	100.0
185.07642	0.4
504.34747	1.4
522.35443	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	522.3555
Annotation	2-Oleoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
51.24257	0.2
52.26720	0.2
55.05515	1.5
56.05040	1.3
57.03439	0.3
57.07073	0.5
58.06581	1.4
59.07368	0.3
60.08161	18.2
60.23172	0.2
67.05504	1.1
69.07063	2.4
70.06582	0.2
70.73158	0.2
71.07377	6.5
71.08616	0.3
71.39737	0.5
75.91143	0.2
76.47072	0.2
79.05482	0.5
81.07059	1.6
83.08636	1.2
86.09702	50.6
93.07038	0.7
95.08598	1.1
97.10142	0.3
98.98466	3.7
104.10740	97.8
105.11064	0.5
107.08588	0.5
108.42230	0.2
109.10143	0.5
121.10148	0.7
125.00000	27.9
135.11671	0.4
143.01093	0.3
157.64812	0.3
163.01576	0.8
181.02649	0.4
184.07335	100.0
185.07689	0.5
211.10551	0.3
218.48975	0.3
258.11069	0.8
339.29028	1.0
504.34503	8.2
505.34616	0.3
522.35553	41.2
523.35876	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70660	1.7
57.03429	9.0
59.04985	2.7
60.02128	2.3
64.09427	1.9
69.03426	36.0
71.04993	2.2
71.59068	2.6
73.02917	3.2
75.04511	2.4
79.05488	3.5
81.03402	4.3
81.07056	5.0
82.01019	2.1
85.02892	22.1
87.04459	20.1
91.05468	5.2
93.07039	7.6
95.08630	13.3
97.02887	25.8
99.08102	3.5
105.07025	8.5
107.04979	2.1
107.08588	10.6
109.02890	2.0
109.10174	2.2
115.03929	29.1
119.08573	54.5
123.11712	4.8
127.03899	5.7
131.04973	3.2
133.04970	35.3
133.10124	82.0
135.04384	2.3
135.11667	19.5
137.05978	12.9
145.04976	5.3
147.04411	3.9
150.07661	4.0
161.05969	2.9
163.03935	2.7
163.07567	2.6
167.07187	1.9
174.06792	3.6
175.14822	100.0
193.15851	21.7
211.16924	88.6
211.18988	3.0
221.09404	2.7
225.09238	2.5
253.08633	4.1
259.08081	3.0
265.08701	3.0
267.09879	3.1
281.07910	4.1
283.09686	3.9
286.12097	4.0
295.09854	3.3
297.11310	3.0
298.11804	4.6
309.11057	4.5
311.12878	3.1
327.12259	8.5
330.14627	19.4
331.14789	2.0
341.13806	29.6
342.14575	36.5
377.31259	2.7
492.20010	13.2
504.19916	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	522.291
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77831	0.6
55.05509	1.7
57.03439	6.0
59.04995	2.3
60.02133	1.4
60.04495	0.8
61.02906	1.8
67.05511	1.0
69.03427	24.7
69.07054	1.6
71.04996	1.4
71.61713	1.0
73.02908	1.5
79.05476	1.7
81.03422	1.7
81.07056	6.1
84.04472	0.8
85.02898	21.5
87.04465	18.2
91.05486	2.3
93.07050	4.6
95.04992	1.3
95.08601	9.8
97.02277	1.5
97.02887	24.5
99.04450	1.0
99.08098	5.0
105.07034	8.3
107.08591	9.2
109.02864	1.2
109.10148	1.8
113.09632	2.4
115.03925	36.4
119.04932	1.2
119.08577	44.4
121.10101	2.1
123.08046	0.7
123.11691	3.2
125.09676	0.7
127.03931	4.5
131.04865	1.3
133.04958	32.4
133.10126	77.3
134.10489	1.3
135.11682	19.0
137.05969	8.1
137.09595	1.2
138.06346	0.9
145.04961	3.8
147.04366	1.1
147.11705	2.2
150.07631	5.2
151.03845	1.2
151.07562	0.8
154.05057	1.1
163.03897	1.7
163.06068	0.8
163.07518	1.3
166.50871	0.7
169.04947	1.1
174.06766	1.3
175.06068	1.1
175.14819	100.0
176.15132	2.6
191.08626	0.7
193.15878	32.2
194.16090	0.8
208.10745	1.2
208.15421	0.8
211.16925	97.7
212.17299	2.2
221.05829	0.9
221.09593	1.1
239.10777	0.7
241.06905	1.7
249.08931	1.1
251.07161	0.9
253.08740	1.5
254.09178	0.9
259.08102	2.7
261.08765	0.8
265.08707	1.5
266.09320	1.1
277.09015	2.1
279.10223	1.1
281.08044	1.1
283.09625	1.3
285.10956	1.0
286.12054	1.7
295.10013	2.0
296.10367	0.8
297.11121	1.5
298.11926	3.2
309.11099	2.3
310.11609	0.9
311.12729	1.9
327.12234	5.7
329.13791	1.0
330.14566	11.1
341.13812	14.1
342.14517	13.9
343.14935	1.3
492.19766	3.5
504.19913	3.6
522.21606	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2828
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.9
55.01870	0.6
55.05265	0.7
55.05513	10.8
57.03442	6.3
57.07070	2.1
59.54568	0.5
60.04515	1.0
64.72299	0.6
65.03944	1.2
67.05503	24.2
69.07068	13.5
71.08627	1.0
71.60445	0.8
79.05487	6.6
80.27036	0.6
81.06574	1.2
81.07058	24.1
82.07390	0.7
83.04982	1.0
83.08611	7.0
85.06527	1.0
88.04004	5.5
91.05479	5.1
93.07046	7.5
95.08607	17.7
97.06512	1.0
97.10151	3.1
98.98470	4.1
99.08089	0.6
103.37868	0.5
105.07005	2.7
106.04996	0.9
107.08587	4.6
109.10143	6.0
111.08099	0.9
119.08601	2.1
121.10157	1.8
123.08039	0.6
123.11742	2.8
131.63098	0.5
133.10132	2.7
135.11687	1.5
137.13289	1.0
147.04405	1.3
147.11652	1.6
149.13310	1.1
155.00981	0.8
161.13225	1.1
170.86475	0.5
173.02147	1.1
175.14847	0.7
184.07451	0.6
198.97385	0.6
203.18034	0.7
245.22778	0.9
260.05200	1.0
263.23737	1.7
267.93460	0.6
337.27365	100.0
338.27548	2.9
350.26907	2.0
522.25177	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2841
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67783	0.2
53.03948	0.4
55.01873	0.4
55.05513	4.9
56.05034	0.7
56.05841	0.2
57.03437	3.4
57.07066	0.8
58.06591	0.5
59.07374	0.3
60.04531	0.4
60.08162	9.2
61.08497	1.9
61.34919	0.3
67.05504	10.5
67.08886	0.3
69.07063	6.8
70.50527	1.1
71.07368	3.7
71.13364	0.3
72.07697	1.2
79.05495	3.3
81.07054	10.4
83.04967	0.3
83.08614	3.7
86.09703	40.2
87.09466	0.9
87.10030	11.3
88.03991	2.8
88.10375	1.2
91.05475	2.1
93.07036	3.6
95.04957	0.5
95.08607	8.0
96.04472	0.3
96.08943	0.5
97.06543	0.8
97.10171	1.5
98.98461	6.3
99.08071	0.3
100.98895	0.6
104.10741	3.2
105.07030	1.4
105.11077	1.0
106.05042	0.6
107.08581	1.7
109.10146	3.4
111.08065	0.3
119.08597	1.1
121.10139	1.5
123.11724	1.5
124.93767	1.1
124.99998	26.8
126.00331	3.9
127.00428	5.4
133.10124	1.2
135.11697	0.9
137.13286	0.6
143.01022	0.5
147.11719	0.7
149.13258	0.4
151.14792	0.4
161.13222	0.6
167.98026	0.8
173.02112	0.4
175.14847	0.3
184.07335	100.0
185.07692	38.7
186.07780	26.3
198.97531	0.3
248.56856	0.3
260.05460	0.4
263.23724	0.7
337.27359	44.7
338.27750	0.9
350.26889	1.0
479.21121	0.3
504.33347	1.7
521.73840	0.4
522.25562	2.9
522.34436	5.7
523.26202	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2699
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	18.8
55.01864	47.7
55.05506	44.9
56.96556	11.4
57.03431	24.5
57.07055	31.9
57.94942	8.6
65.03915	11.2
67.05496	95.2
69.03403	17.4
69.07047	36.4
70.99458	17.4
70.99802	9.7
71.04984	11.5
79.05482	78.6
81.03417	88.4
81.07042	98.0
83.04957	27.3
83.08602	41.1
85.02902	13.3
88.12340	8.7
91.05472	100.0
93.07030	77.0
94.04172	22.9
94.07826	9.3
95.04954	60.5
95.08594	44.0
97.06534	27.4
97.10210	14.6
98.07339	10.0
99.08088	23.3
105.07050	77.5
107.04953	66.0
107.08579	69.4
108.05667	10.2
109.06529	22.2
109.10158	73.6
115.05421	12.0
117.05494	25.5
117.07002	31.8
119.04913	34.0
119.08569	45.5
121.06452	58.1
121.10128	23.7
122.07249	13.6
123.08054	21.8
123.11703	10.4
125.09631	60.4
127.11156	13.4
128.06201	8.8
129.05496	11.1
129.07013	19.4
131.04930	19.3
131.08566	45.4
132.05696	9.6
132.83928	8.7
133.06477	69.0
133.10120	19.0
135.04419	12.5
135.08031	32.8
135.11674	36.1
139.11198	14.6
143.08568	28.0
145.06473	40.7
145.10127	26.8
147.04387	99.6
147.08028	42.2
147.11670	22.5
149.09605	31.1
153.12840	11.7
155.08554	15.8
157.06506	16.2
157.10046	23.3
159.08014	14.8
159.11620	11.6
161.05974	42.2
161.09575	23.8
163.03888	12.8
163.11229	13.9
169.10135	11.1
171.06505	15.7
171.07982	12.5
171.11542	11.2
173.01099	9.3
173.05939	10.3
174.10451	10.8
175.07541	9.4
175.11156	23.1
185.09587	10.5
187.11183	15.7
189.12802	14.1
193.12236	39.2
194.10796	9.7
201.14833	33.8
203.14337	23.8
227.12634	18.2
231.13739	19.4
232.14644	50.8
237.70013	9.6
239.02345	13.0
245.15388	25.7
257.03296	14.1
257.17746	10.4
267.15875	21.9
273.32111	10.0
275.16415	10.0
321.16968	17.4
328.24219	10.0
349.21036	17.4
367.22543	21.3
402.24039	32.6
430.27380	16.4
441.26041	10.4
448.27930	21.1
458.26691	93.9
459.27621	54.5
476.27896	48.8
522.27258	19.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30875	1.6
54.72662	1.7
56.05036	2.2
57.03437	21.9
60.04526	100.0
61.02917	7.0
61.90361	1.7
69.03425	21.0
69.45463	9.6
69.45887	7.7
70.06574	2.0
71.01335	4.4
71.05007	9.0
73.02917	41.1
74.06080	6.6
76.04010	2.6
77.62888	1.8
78.64655	2.0
81.03398	5.7
83.04978	2.1
84.04492	6.6
84.66605	1.8
85.02421	3.5
85.02906	49.6
87.04431	3.1
91.05482	12.4
92.03471	3.5
92.07101	6.1
94.06559	3.3
95.04958	2.1
97.02891	33.8
99.04447	2.1
103.05447	4.5
105.07021	4.8
107.04948	29.7
109.06537	2.2
111.04458	2.1
115.03922	22.6
119.04928	13.6
121.02816	2.3
121.06497	4.3
123.04453	4.4
127.03926	10.5
129.05527	4.7
131.04906	6.1
132.08104	5.9
133.04980	5.1
133.06480	4.5
134.06050	2.2
135.04422	34.9
136.07562	4.0
137.05957	8.7
145.04955	13.6
149.06075	3.9
149.18533	1.8
150.09138	4.6
151.07573	11.4
152.07021	4.6
153.05470	7.3
154.08623	2.7
160.07573	50.8
161.05962	7.4
163.03911	4.3
163.06021	5.1
163.07477	2.5
167.07062	13.1
173.05995	3.6
177.05470	4.9
178.08626	47.9
179.06984	4.9
187.03914	2.3
192.10216	15.3
193.08609	3.8
196.09663	9.5
203.06876	2.2
206.10371	2.6
210.07632	2.2
210.11232	28.7
212.09094	3.4
214.10768	6.0
217.06961	2.1
223.05785	2.1
228.12384	9.9
241.07014	3.3
251.09175	2.8
254.08032	2.2
259.08243	2.3
263.09253	2.3
295.10156	3.7
325.08859	2.4
340.13907	4.0
360.14294	2.8
372.16245	2.9
384.16910	1.8
472.18057	5.6
484.73480	2.1
486.19528	8.5
504.19708	2.9
522.21625	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	522.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.0
55.01859	2.0
57.03419	2.8
58.57906	0.6
59.70470	0.6
61.02927	3.8
66.83653	0.6
69.03427	8.3
70.06567	0.6
70.84454	1.8
73.02910	0.8
79.05473	1.3
81.03402	2.2
85.02905	35.0
87.04449	1.3
89.19124	0.6
89.22823	0.7
91.03953	1.4
91.05460	2.4
93.07037	4.6
97.02898	7.3
99.04437	2.2
103.03936	0.9
103.05477	7.2
105.07028	4.8
107.04949	2.8
109.02859	2.5
121.06506	16.7
123.04443	0.7
125.02353	2.2
127.03914	11.3
127.07721	0.8
131.04884	2.3
133.06491	12.8
135.08055	2.1
137.05983	10.1
138.06345	1.4
140.04688	22.8
145.04962	16.1
149.05966	15.3
153.05467	11.4
163.03897	1.7
163.06042	20.4
163.07512	3.1
165.09114	9.5
167.07016	0.7
175.07529	0.9
180.08691	1.3
181.08595	100.0
182.09068	0.9
204.08809	0.7
210.86353	0.6
269.10248	3.2
279.10141	0.6
312.12952	0.7
343.13837	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	522.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.8
55.01855	2.7
57.03415	2.5
58.06578	0.8
59.76451	0.7
61.02912	2.7
64.37694	0.7
69.03128	0.7
69.03430	8.3
70.06567	0.8
71.01341	0.7
71.04976	1.7
71.58697	0.8
73.02906	1.0
77.43686	0.7
79.05478	1.2
81.03407	2.8
85.02901	37.6
91.03951	1.8
91.05463	2.9
93.07027	2.4
95.04971	1.5
97.02893	6.0
99.04421	2.8
103.03934	1.6
103.05455	7.2
105.07037	2.5
107.04974	3.4
109.02856	2.8
117.06980	1.3
119.04929	1.0
121.05650	1.2
121.06498	16.3
125.02317	2.4
127.03073	1.1
127.03931	11.5
131.04890	4.8
132.05264	1.0
133.02551	0.7
133.06488	3.8
133.10185	0.8
135.08049	2.0
137.05968	4.7
140.04678	22.6
145.04947	16.8
149.05981	18.5
153.05441	11.0
161.05972	1.0
163.03862	1.5
163.06033	28.7
163.07510	4.7
164.07996	0.8
165.09102	2.6
175.07555	0.8
181.08583	100.0
182.08961	1.1
204.08705	0.9
247.09660	1.2
269.10269	0.9
273.04898	0.8
343.13846	1.0
522.19275	1.3
524.06036	0.9
547.49066	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.9
55.01867	1.8
55.05511	1.7
57.03426	11.3
60.04525	62.5
61.02917	4.0
61.80719	1.5
62.06074	3.9
69.03429	15.3
71.04993	46.0
71.59004	2.3
72.04506	2.3
73.02906	6.0
74.06087	2.3
75.04478	3.2
79.05496	1.8
81.03410	4.8
83.04986	6.5
84.04499	5.7
84.08118	3.8
85.02902	100.0
87.04435	1.6
91.05471	4.8
95.04979	2.7
97.02876	14.2
99.04442	4.3
100.03960	4.8
103.05456	26.2
105.06976	1.7
107.04945	9.7
108.05279	1.7
109.02889	4.6
109.06507	2.6
111.04451	4.9
115.05458	2.2
119.04953	3.2
120.72240	1.6
121.06480	2.5
123.04412	4.2
126.05499	5.3
127.03913	9.9
129.05486	17.3
131.04927	99.4
133.06496	3.6
135.04391	7.3
136.07545	2.9
137.05986	16.8
138.09122	4.2
145.04961	11.6
146.78731	1.7
147.06540	7.8
150.09169	2.9
151.07536	2.8
152.07028	3.1
153.05455	12.9
154.08618	6.9
156.17482	1.6
161.05965	4.4
163.03899	18.3
163.06126	4.5
163.07529	52.7
167.07005	1.6
168.10175	4.5
170.08139	6.2
175.07521	1.6
177.05440	1.9
178.08687	13.9
179.07030	19.3
181.04958	7.3
190.10721	3.0
196.09685	46.2
197.08064	3.2
214.07166	2.8
214.10760	25.4
316.13855	3.0
332.13535	2.6
358.14999	10.1
376.15930	22.3
478.19537	3.7
504.20480	3.5
522.21271	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	522.2095
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.4
55.01860	0.8
55.98942	0.5
57.03419	0.6
58.06591	0.8
58.55682	0.5
62.33744	0.5
67.05497	0.6
67.78442	0.4
69.03417	2.2
71.59473	0.6
71.59818	0.5
72.08156	0.8
73.11351	0.5
79.05499	1.5
81.03400	1.5
81.07069	0.5
82.19221	0.5
85.02903	3.4
91.05473	1.5
93.07057	1.0
93.94649	0.5
95.08596	0.7
97.02894	1.0
97.32060	0.4
99.83887	0.5
102.40403	0.5
103.05466	0.6
105.07023	1.4
107.04937	1.1
107.08589	0.7
117.03381	2.3
117.05505	0.5
117.06991	0.5
119.04948	1.0
121.02832	0.5
121.06489	1.3
123.04441	0.5
129.06981	0.9
131.04935	2.6
131.08578	0.5
133.06529	0.6
133.10097	0.5
134.39505	0.5
135.04471	0.7
137.05975	11.0
138.06696	1.8
147.04413	2.8
149.05962	1.3
150.06744	1.5
151.03932	0.8
151.07555	1.3
161.05974	12.1
161.09636	2.3
162.06743	4.2
163.03935	1.6
163.07596	2.4
164.08356	0.7
165.05734	0.5
165.07045	2.1
166.06232	0.6
167.07010	1.3
167.08577	2.2
174.06804	1.7
175.07562	1.3
176.07982	0.6
177.06886	0.7
177.09142	2.3
178.07751	2.5
179.06976	0.8
179.08412	1.0
181.06488	0.9
182.07210	0.8
182.09320	0.7
183.08182	0.9
189.09135	3.9
191.08591	1.5
192.09283	0.7
193.06551	0.9
193.10126	1.2
194.07242	2.0
195.08067	4.0
196.08902	0.6
203.08589	1.9
205.06477	2.4
206.07251	2.2
206.09149	0.9
207.08080	1.8
207.10173	8.6
208.05128	0.5
208.10742	0.6
209.05934	0.9
209.09673	1.3
210.06737	1.3
211.07523	2.0
212.08276	1.0
219.08015	1.9
220.08913	3.8
221.06084	2.6
221.09639	3.6
222.06772	2.4
223.07555	5.4
224.08325	1.1
225.05490	1.2
225.09120	4.3
231.08031	1.1
232.08885	0.5
233.05986	0.8
234.06744	2.7
235.07553	3.1
236.08327	0.9
237.05420	1.2
237.09116	4.4
238.06250	1.2
238.09860	3.5
239.07027	2.4
239.10597	0.9
240.07849	3.1
243.10239	0.7
247.07547	0.6
248.08350	4.9
249.09029	3.7
250.06192	1.5
251.07079	4.1
251.10811	0.8
252.07846	1.8
253.04738	0.6
253.08586	6.7
254.09326	1.3
255.10265	2.4
263.07050	0.8
263.10565	0.8
264.07840	1.1
265.05667	0.8
265.08575	6.8
266.06299	0.8
266.09344	10.0
267.06738	0.6
267.10074	3.3
268.07349	3.3
268.10345	0.7
269.11829	0.6
270.08560	0.6
271.09549	0.8
277.08603	2.2
278.09357	0.8
279.10083	1.0
280.07446	1.1
280.10880	1.3
281.08072	5.3
281.11664	3.4
282.08786	1.5
282.12411	1.4
283.06717	0.4
283.09692	8.2
283.12903	0.8
284.10468	0.6
285.11234	1.7
286.11932	3.5
291.10123	0.9
292.10849	0.9
294.08936	1.2
295.09644	1.8
296.10403	0.8
297.11215	2.9
298.11926	4.6
299.12695	1.9
309.11255	4.9
310.12003	9.8
311.12766	6.5
312.13330	1.0
324.13403	0.8
326.11389	1.0
327.12265	46.7
328.12640	0.7
329.13785	3.8
330.14612	11.8
340.13373	0.6
341.13773	3.1
342.14606	100.0
343.14841	2.9
344.15933	0.7
372.07394	0.5
450.67154	0.5
453.29526	0.5
522.22278	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3629
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	3.0
57.07056	4.0
62.46201	1.5
65.29130	1.3
67.05507	8.0
68.89388	1.4
69.07064	2.3
71.08634	2.1
72.81574	1.3
79.05495	7.2
79.30699	1.3
81.03442	1.3
81.07058	100.0
83.95793	1.4
85.50364	1.4
86.09696	6.0
91.05472	3.2
93.07029	3.7
95.08613	21.3
98.21555	2.1
104.10765	3.1
105.07065	2.8
107.04964	6.3
107.08595	4.6
109.10172	4.4
111.55535	1.6
119.04949	6.3
119.08559	3.1
121.10159	2.6
123.11700	1.9
125.00008	2.8
126.90551	1.4
133.10211	1.9
135.11679	2.6
137.13263	69.5
147.04414	26.5
147.11720	3.2
163.11295	1.8
165.05460	24.2
170.92145	1.5
172.95255	2.1
173.09630	3.9
184.07281	11.4
186.61758	1.5
203.17964	9.9
301.18134	1.7
317.37140	1.6
367.22745	3.2
521.22449	3.7
521.38623	7.0
522.36365	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2095
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.4
55.01860	0.8
55.98942	0.5
57.03419	0.6
58.06591	0.8
58.55682	0.5
62.33744	0.5
67.05497	0.6
67.78442	0.4
69.03417	2.2
71.59473	0.6
71.59818	0.5
72.08156	0.8
73.11351	0.5
79.05499	1.5
81.03400	1.5
81.07069	0.5
82.19221	0.5
85.02903	3.4
91.05473	1.5
93.07057	1.0
93.94649	0.5
95.08596	0.7
97.02894	1.0
97.32060	0.4
99.83887	0.5
102.40403	0.5
103.05466	0.6
105.07023	1.4
107.04937	1.1
107.08589	0.7
117.03381	2.3
117.05505	0.5
117.06991	0.5
119.04948	1.0
121.02832	0.5
121.06489	1.3
123.04441	0.5
129.06981	0.9
131.04935	2.6
131.08578	0.5
133.06529	0.6
133.10097	0.5
134.39505	0.5
135.04471	0.7
137.05975	11.0
138.06696	1.8
147.04413	2.8
149.05962	1.3
150.06744	1.5
151.03932	0.8
151.07555	1.3
161.05974	12.1
161.09636	2.3
162.06743	4.2
163.03935	1.6
163.07596	2.4
164.08356	0.7
165.05734	0.5
165.07045	2.1
166.06232	0.6
167.07010	1.3
167.08577	2.2
174.06804	1.7
175.07562	1.3
176.07982	0.6
177.06886	0.7
177.09142	2.3
178.07751	2.5
179.06976	0.8
179.08412	1.0
181.06488	0.9
182.07210	0.8
182.09320	0.7
183.08182	0.9
189.09135	3.9
191.08591	1.5
192.09283	0.7
193.06551	0.9
193.10126	1.2
194.07242	2.0
195.08067	4.0
196.08902	0.6
203.08589	1.9
205.06477	2.4
206.07251	2.2
206.09149	0.9
207.08080	1.8
207.10173	8.6
208.05128	0.5
208.10742	0.6
209.05934	0.9
209.09673	1.3
210.06737	1.3
211.07523	2.0
212.08276	1.0
219.08015	1.9
220.08913	3.8
221.06084	2.6
221.09639	3.6
222.06772	2.4
223.07555	5.4
224.08325	1.1
225.05490	1.2
225.09120	4.3
231.08031	1.1
232.08885	0.5
233.05986	0.8
234.06744	2.7
235.07553	3.1
236.08327	0.9
237.05420	1.2
237.09116	4.4
238.06250	1.2
238.09860	3.5
239.07027	2.4
239.10597	0.9
240.07849	3.1
243.10239	0.7
247.07547	0.6
248.08350	4.9
249.09029	3.7
250.06192	1.5
251.07079	4.1
251.10811	0.8
252.07846	1.8
253.04738	0.6
253.08586	6.7
254.09326	1.3
255.10265	2.4
263.07050	0.8
263.10565	0.8
264.07840	1.1
265.05667	0.8
265.08575	6.8
266.06299	0.8
266.09344	10.0
267.06738	0.6
267.10074	3.3
268.07349	3.3
268.10345	0.7
269.11829	0.6
270.08560	0.6
271.09549	0.8
277.08603	2.2
278.09357	0.8
279.10083	1.0
280.07446	1.1
280.10880	1.3
281.08072	5.3
281.11664	3.4
282.08786	1.5
282.12411	1.4
283.06717	0.4
283.09692	8.2
283.12903	0.8
284.10468	0.6
285.11234	1.7
286.11932	3.5
291.10123	0.9
292.10849	0.9
294.08936	1.2
295.09644	1.8
296.10403	0.8
297.11215	2.9
298.11926	4.6
299.12695	1.9
309.11255	4.9
310.12003	9.8
311.12766	6.5
312.13330	1.0
324.13403	0.8
326.11389	1.0
327.12265	46.7
328.12640	0.7
329.13785	3.8
330.14612	11.8
340.13373	0.6
341.13773	3.1
342.14606	100.0
343.14841	2.9
344.15933	0.7
372.07394	0.5
450.67154	0.5
453.29526	0.5
522.22278	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25461	0.9
55.05500	1.8
62.32719	1.0
65.03928	1.8
67.05491	2.8
69.03431	0.9
69.07059	0.9
69.50295	7.0
71.04958	1.9
79.05476	2.9
81.03397	3.2
81.07039	4.6
83.04956	1.3
85.02908	4.3
85.06531	2.0
86.09719	0.9
91.05446	6.4
93.07045	5.8
94.04167	3.0
95.04942	2.8
95.08598	2.4
96.00382	1.0
97.02866	1.8
103.05479	9.5
105.07017	3.6
107.04942	2.9
107.08582	3.6
109.02866	2.0
109.06509	1.3
109.10138	2.9
115.05474	1.2
119.04935	5.6
119.08576	2.1
121.06476	1.7
121.10126	1.3
122.03639	8.2
123.04437	0.9
128.06230	1.1
129.05429	1.0
129.07005	3.2
131.04929	16.6
131.08588	2.3
132.05310	0.9
133.10089	2.1
135.04388	2.3
135.07988	0.8
135.11659	2.2
137.05972	100.0
138.06322	2.5
143.08617	1.0
145.06464	2.0
147.04408	4.9
147.08067	1.1
149.05949	2.2
150.06764	1.4
151.03920	1.7
151.07532	5.8
157.06482	1.8
159.07938	1.7
160.05171	1.6
161.05972	6.1
163.03860	2.6
163.07556	12.5
165.08983	1.3
167.05673	1.2
167.07037	3.7
169.06419	1.1
172.05142	1.1
174.06758	2.0
175.03969	6.3
175.07529	6.4
177.05487	2.9
181.08624	0.9
184.07343	1.3
187.07547	6.4
189.09082	3.9
191.07062	1.3
193.08467	1.1
195.07991	1.9
199.07552	7.1
201.09157	4.8
207.06496	12.3
207.08142	1.3
209.09583	1.1
211.07520	3.2
213.05714	0.9
213.09061	2.6
217.08629	2.3
219.10060	4.2
224.08250	1.2
225.09163	1.2
229.08566	3.2
231.08080	1.3
232.08852	1.0
233.09511	1.2
235.07486	1.5
239.06932	6.0
240.07829	2.0
247.07417	1.4
248.08223	1.9
249.08798	1.2
249.11206	1.3
251.07089	1.5
253.08540	1.0
254.09329	1.2
255.10184	3.3
260.08286	1.5
262.06113	1.0
263.10660	1.4
264.07791	2.0
265.08493	3.3
267.06491	3.1
268.07300	1.2
274.09964	1.2
275.10614	2.9
276.07745	1.1
277.08640	3.1
278.09113	1.0
279.06406	1.3
280.07333	1.3
281.07965	1.6
282.08911	5.0
283.09653	12.2
289.08310	1.5
291.10178	4.3
292.10986	1.1
293.08234	1.5
293.11728	1.1
294.08856	3.5
295.09613	6.5
297.11218	2.1
299.12753	3.7
303.10205	1.5
305.07965	1.6
305.24802	0.9
307.09555	2.8
308.10394	0.9
309.11264	2.5
317.11682	1.5
320.10287	1.5
323.12720	7.3
323.25766	1.2
325.14432	3.0
335.12686	5.2
341.13712	1.2
349.14383	9.9
351.10846	1.8
353.13922	4.8
365.79745	1.0
367.15527	1.1
371.14954	3.3
379.15308	2.4
417.13165	1.7
432.15607	22.7
433.16406	4.3
445.16391	3.2
462.15976	1.1
473.19296	2.8
483.10217	1.1
485.19501	9.1
491.20782	1.5
503.20633	27.9
521.20691	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2015
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.5
54.82161	1.0
55.01872	1.4
60.52139	1.0
69.03435	5.5
69.52094	8.9
69.52496	2.0
79.05495	2.1
81.03426	2.0
85.02905	16.1
89.03713	1.2
91.05490	5.3
94.04185	1.1
95.04965	2.0
97.02904	3.5
99.04456	1.3
103.05461	29.2
105.07038	6.7
107.04954	1.6
109.02884	1.7
109.06508	2.7
115.05474	3.5
117.06996	1.6
119.04955	2.8
121.06548	1.4
122.03642	4.7
127.03893	4.3
129.06950	1.5
131.04927	72.5
133.06480	3.1
135.08035	1.2
137.05971	100.0
139.06595	1.2
143.04924	2.8
145.04979	2.2
146.03545	1.4
147.04428	4.6
147.07959	1.4
149.05971	2.4
151.07584	1.6
159.08081	1.3
160.05125	1.6
161.05983	23.1
161.07242	1.6
162.06717	2.5
163.07536	78.5
165.06903	1.2
175.07539	27.7
179.07040	3.8
179.08517	2.7
187.07559	6.2
189.09122	5.9
190.07701	1.9
191.08537	8.9
193.08597	1.5
194.07329	6.3
199.07550	4.1
202.07799	1.4
203.08511	2.3
205.06479	1.9
207.08054	3.3
208.08873	1.6
218.07289	2.3
219.08032	13.5
220.08859	3.6
221.06071	3.1
222.06773	4.7
231.07968	1.7
235.07504	2.1
236.08289	3.7
237.09189	4.9
239.10695	2.4
247.07574	7.2
248.08339	2.6
249.09201	1.7
251.10712	8.3
253.08568	1.6
259.07526	1.9
261.09335	1.5
263.10666	2.3
264.07785	4.0
265.08582	12.7
267.10138	4.2
277.08878	1.9
279.10141	26.9
281.08279	1.3
291.10153	7.0
295.09763	6.4
295.12845	1.4
296.10522	2.5
297.11157	14.1
299.12820	13.2
309.11270	3.8
310.11899	3.7
311.12759	54.1
313.14243	10.5
323.12820	14.9
325.14334	3.4
329.13907	4.3
341.13840	26.9
435.32706	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.7
55.01870	1.6
57.03416	1.3
59.02140	0.8
61.02920	1.0
62.50085	0.8
69.03426	2.3
70.06583	1.1
70.84805	1.6
71.04980	1.6
79.05495	2.3
81.03429	1.3
81.07093	1.2
84.08096	1.1
85.02894	8.3
91.05476	5.9
93.07041	2.6
94.04176	1.9
95.04972	2.3
97.02904	1.8
103.05453	9.1
105.07033	5.8
107.04959	2.2
109.02832	1.0
109.06506	4.7
115.05469	5.4
117.07005	0.8
119.04929	1.1
121.06537	2.6
122.03629	3.7
123.04419	0.8
127.03921	1.3
130.04129	1.1
131.04938	14.2
133.06479	4.8
135.04408	1.3
135.08063	1.3
137.05968	88.2
143.04950	5.6
144.05667	1.0
146.03639	3.9
147.04407	2.2
147.08034	1.4
149.05965	5.6
151.03954	2.4
151.07550	2.4
155.04839	1.4
160.05186	1.7
161.05972	35.7
162.06757	6.3
163.07530	14.3
165.05643	1.5
165.06902	4.9
166.07787	3.5
167.08510	0.9
174.06775	1.3
175.07535	16.3
177.06978	2.3
178.07823	3.7
179.07047	2.2
179.08594	6.6
181.06499	1.3
187.07513	7.5
189.07039	3.3
190.07730	5.4
191.06902	2.0
191.08546	24.2
193.06493	2.0
193.08534	0.8
194.07249	15.6
195.08047	1.4
199.07545	2.5
202.07806	2.4
203.08533	4.2
205.06544	7.2
205.08412	1.6
206.07254	1.7
207.08047	8.7
208.08772	4.9
209.09602	4.2
211.07523	2.4
218.07237	5.5
219.08067	32.1
220.08810	7.5
221.05951	7.1
221.09581	3.0
222.06728	12.3
223.07613	2.3
224.08376	2.2
225.09163	3.2
231.08035	5.5
233.05980	2.2
233.09573	2.5
234.06682	1.7
235.07486	7.5
236.08310	12.4
237.09103	12.6
238.09811	1.0
239.07034	2.5
239.10635	7.0
246.06750	1.8
247.07527	21.1
248.08299	5.8
249.05417	1.8
249.09045	3.1
250.06262	2.4
250.09930	1.5
251.06900	1.6
251.07970	1.2
251.10670	18.6
252.07855	1.7
253.08597	5.1
254.09326	1.8
255.06482	1.0
259.07712	2.3
260.08295	1.5
261.09143	3.0
262.06216	1.2
263.07001	2.3
263.10739	2.6
264.07718	9.0
265.08588	39.1
266.09402	1.1
267.07343	1.1
267.10187	9.0
268.10910	1.9
276.07959	1.4
277.08603	2.6
279.10156	53.6
280.07843	1.2
280.10840	6.7
281.08121	3.6
282.08826	2.5
284.10437	1.2
285.11185	1.6
291.10129	8.6
295.09622	13.8
296.10416	3.7
297.11194	34.4
298.11923	1.0
299.12759	28.6
308.10776	1.0
309.11176	10.3
310.11966	13.6
311.12759	67.5
323.12772	10.2
329.13834	16.8
341.13815	100.0
359.14822	10.3
521.20691	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	520.3397
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46476	0.2
51.18217	0.2
55.05509	0.3
56.05037	0.7
58.06610	0.4
60.08165	7.7
67.05507	0.8
69.07062	0.5
70.06627	0.2
70.87660	0.7
71.07372	2.9
76.39740	0.2
81.07077	0.6
86.09708	36.1
95.08619	0.4
98.98462	3.1
104.10744	3.8
125.00006	27.1
132.22096	0.2
137.81660	0.2
175.99910	0.2
184.07343	100.0
185.07693	0.5
242.35968	0.2
244.32497	0.2
352.44803	0.2
361.74591	0.2
375.34290	0.2
481.11951	0.3
502.32645	1.1
507.36319	0.2
520.33923	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	520.3398
Annotation	2-linoleoyllysophosphatidylcholine
Peak:m/z	Relative Intensity
55.05508	1.1
56.05023	0.8
57.03450	0.4
58.06600	1.7
59.01530	0.5
60.08162	17.4
67.05503	3.5
67.30530	0.4
69.07061	1.0
69.95129	2.6
71.07379	7.7
79.05469	0.8
81.07064	2.3
83.08609	0.8
84.34042	0.4
86.09703	48.2
93.07036	0.8
95.08599	2.3
97.10139	0.6
98.21455	0.5
98.98473	4.3
104.10742	100.0
107.42701	0.4
109.10188	0.6
125.00002	31.8
133.10117	0.5
163.01491	0.6
184.07338	93.6
258.11075	1.1
337.27322	0.8
445.97256	0.5
502.32837	9.7
520.33966	40.2
521.34265	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1293
Annotation	Isorhamnetin 3-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
53.03943	2.8
55.01865	0.6
57.03433	0.9
61.02934	1.1
67.05493	0.4
68.99768	0.2
69.03427	8.9
70.87186	0.2
70.87533	0.3
71.01372	0.2
71.04985	0.9
73.02920	1.1
79.05477	0.3
81.03417	11.2
81.07051	0.5
83.04969	0.2
85.02904	5.7
87.04464	0.3
89.23579	0.2
91.05472	0.3
92.02599	0.5
93.03380	0.7
93.07023	0.4
95.04957	0.2
95.08597	0.3
97.02886	5.1
97.06506	0.2
99.04440	2.3
103.03940	0.3
103.05458	0.5
105.07022	0.3
107.04953	0.2
107.08552	0.2
109.02876	8.6
109.10139	0.2
111.59120	0.2
115.03892	0.2
119.04970	0.2
121.02882	0.7
121.06563	0.2
121.10150	0.3
122.03685	0.3
123.04388	0.3
126.03103	0.3
127.03916	7.0
131.04915	0.9
133.02878	0.3
133.10068	0.2
137.02356	0.4
137.05988	1.7
139.03888	0.8
145.04953	1.5
147.04378	0.4
151.03918	0.6
151.07509	0.2
153.01826	5.3
161.05942	0.6
163.03925	0.5
163.07581	0.3
165.01817	0.5
167.07016	0.3
173.06004	0.2
173.13263	0.2
177.05447	0.2
183.02881	0.3
187.06012	8.0
187.07701	0.4
201.05470	0.5
203.03339	0.2
205.07083	0.3
217.04990	0.6
218.05708	0.4
228.04082	0.9
229.04950	2.2
243.06592	0.2
245.04523	0.8
246.05220	1.5
253.80411	0.2
257.04398	1.8
260.03259	0.4
261.07489	0.2
265.08829	0.3
266.27026	0.2
273.03903	1.2
274.04727	3.3
284.03113	0.2
285.03906	3.6
286.04684	0.2
297.11392	0.2
299.05746	0.3
302.04205	10.2
317.06549	100.0
318.06985	0.7
321.11383	0.2
339.12656	0.3
340.13553	0.4
359.14798	0.3
368.13217	0.3
489.18683	0.3
521.21265	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.239
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67485	0.6
53.03945	0.9
55.01891	1.0
55.05506	1.5
57.03435	11.3
59.04969	0.8
60.04515	1.0
61.02925	1.2
69.03415	2.9
70.68192	2.5
71.04991	81.4
72.05339	0.7
73.02917	2.6
74.51127	0.6
75.04472	4.5
79.05461	0.9
81.03427	1.3
83.04542	1.2
83.04982	12.4
83.13751	0.7
85.02902	100.0
86.03223	1.0
87.04474	1.9
88.03648	0.8
91.05471	1.1
93.07029	1.0
95.08600	1.3
97.02897	4.0
99.04453	3.3
101.06009	1.0
103.03963	0.8
103.05475	3.0
105.07043	1.7
107.04945	5.6
109.02912	0.8
111.04427	5.7
114.14024	0.7
115.05466	1.6
117.07082	0.8
127.03912	3.0
129.05475	41.8
131.04967	2.0
135.08066	4.7
137.05975	1.9
139.03915	2.1
144.06537	1.3
145.04976	2.3
145.06480	1.4
146.08159	3.1
147.04430	0.7
147.06506	17.4
154.06247	23.0
154.07465	1.4
159.08017	1.7
161.05997	1.4
162.07658	3.0
163.06178	0.8
163.07532	20.7
164.09190	6.2
167.07034	3.1
171.27271	0.8
173.06020	1.3
174.95476	0.7
180.08696	2.3
193.08531	1.3
195.10161	69.0
196.10643	1.2
205.08603	1.3
207.08502	0.7
207.10129	4.0
219.10229	2.1
221.08138	2.5
221.41701	0.6
223.09593	1.1
227.10664	1.0
235.09647	1.0
255.10315	1.2
259.13324	1.8
261.11334	0.9
281.11612	0.9
282.13544	0.7
287.12738	2.4
299.13220	1.0
305.13794	10.5
308.13434	0.9
313.38034	0.8
325.10678	0.9
326.14520	1.9
340.13083	2.8
358.10141	0.8
545.81970	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.268
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.2
55.05507	2.2
56.05033	0.9
57.03440	2.0
57.05370	0.3
57.07071	0.2
58.06355	0.3
58.06632	0.7
59.07389	0.2
60.08159	8.3
61.07839	0.2
61.08496	1.4
62.77654	0.2
65.03917	0.5
66.74436	0.1
67.05502	7.2
68.05830	0.3
69.06759	0.2
69.07069	1.9
71.04964	0.2
71.07372	3.6
71.59990	0.3
72.07694	0.8
79.05486	3.5
81.07052	6.6
83.04969	0.3
83.08623	0.8
85.06537	0.2
86.09701	39.3
87.09468	0.6
87.10027	11.4
88.03986	1.2
88.10365	1.1
91.05441	1.5
93.07040	4.5
94.07390	0.3
95.04951	0.3
95.08604	4.8
97.06499	0.3
97.10191	0.3
98.98459	5.2
100.98888	0.7
103.50687	0.2
104.10732	3.4
105.07050	1.0
105.11087	1.2
106.05025	0.3
107.08566	2.0
107.29933	0.2
109.06521	0.2
109.10146	1.9
114.07314	0.2
117.07026	0.3
119.08588	0.7
121.10136	1.4
123.08046	0.2
123.11697	0.7
123.69655	0.2
124.93732	0.3
124.99998	28.4
126.00331	3.9
127.00417	5.0
131.08563	0.6
133.10143	0.5
135.11711	0.8
142.94788	0.2
143.00996	0.6
145.10023	0.4
147.11691	0.5
149.13283	0.4
155.01048	0.2
159.11766	0.2
161.13185	0.2
163.14853	0.2
166.02615	0.2
167.05545	0.2
167.97942	0.3
173.02118	0.2
184.07330	100.0
185.07684	38.7
186.07780	28.1
243.21114	0.2
261.22031	0.4
267.74988	0.2
299.06244	0.2
335.25781	25.8
336.26077	0.4
337.26526	0.3
348.25424	0.3
502.32010	1.9
520.24152	0.9
520.32928	5.7
521.24457	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.1813
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85141	0.4
51.02371	0.5
53.03950	2.3
55.01861	1.5
57.03427	1.0
57.33514	0.5
61.02919	1.4
68.99779	0.7
69.03077	0.8
69.03429	9.7
69.61403	2.4
69.61809	0.9
71.01336	0.6
71.04985	1.3
73.02903	1.6
77.10782	0.5
79.05484	0.9
81.03413	9.6
85.02906	10.7
87.00835	2.9
91.03932	0.7
91.05450	0.8
93.07042	0.7
95.04968	1.9
97.02877	5.0
99.04456	2.1
103.03931	0.7
103.05484	0.8
105.01886	0.7
105.07027	0.9
107.04950	81.8
109.02876	7.0
115.05444	8.4
117.07008	1.3
121.02858	0.9
121.06497	3.8
123.04417	10.3
127.03926	8.0
128.07094	0.5
131.04933	2.1
133.06476	2.1
135.04407	1.1
135.06812	1.0
136.74936	0.5
137.05988	2.1
143.04916	17.8
145.05006	1.4
145.06490	8.3
147.04468	0.8
148.07529	0.6
149.05969	1.7
155.04832	0.5
159.02873	1.4
161.05977	14.9
161.07251	1.0
163.03978	0.8
163.07570	0.6
164.07065	10.8
178.08656	0.8
185.13933	0.4
187.05975	1.2
191.08560	1.2
194.07262	1.4
209.06010	0.7
209.09587	3.2
219.08078	0.8
226.06317	1.0
237.09096	4.0
253.08788	0.7
255.10152	34.4
256.10587	0.5
267.10336	0.5
270.11270	2.0
272.12799	31.0
273.13077	0.6
400.64758	0.5
406.78616	0.6
434.18103	4.1
475.33893	0.5
476.19147	46.4
477.19772	1.4
520.18127	100.0
521.18317	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	519.2717
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.1
55.05507	2.4
56.96565	37.6
62.33823	0.9
67.05492	5.3
69.03398	0.9
69.07058	3.1
71.04979	2.1
71.59721	1.4
79.05494	5.9
81.07051	9.7
83.08601	1.2
91.05459	4.0
93.07040	12.4
95.04967	1.4
95.08614	3.9
98.98447	1.3
105.07032	2.0
107.08601	11.3
109.06489	1.8
109.10189	2.2
119.04917	2.5
119.08549	1.3
121.10168	1.7
121.15228	0.9
123.08068	2.4
123.11674	2.2
135.11688	8.2
138.07776	0.9
145.02896	1.1
147.04413	12.3
151.07506	2.5
152.08334	2.9
153.12737	5.6
163.03920	1.0
165.09143	12.2
167.05513	2.3
169.01720	2.7
171.33662	1.1
172.42558	1.0
177.05489	3.5
179.10674	2.5
181.01761	1.9
184.07309	1.5
187.02809	3.3
191.00188	2.7
193.12199	1.3
195.03268	9.9
199.02780	1.4
203.00305	2.1
208.14622	1.8
209.01219	5.3
211.02789	2.0
213.04352	32.7
214.04625	1.4
219.13776	1.3
221.01192	7.1
221.15392	2.1
227.02351	1.8
231.05396	5.1
236.05901	3.8
236.47209	0.9
239.02257	44.5
249.18443	1.1
257.03299	32.2
257.05884	1.6
262.03891	7.5
280.05005	4.8
299.06152	4.4
305.24796	1.6
315.16016	2.8
319.26367	6.3
335.88885	1.1
347.25806	74.0
348.25967	1.4
352.17947	1.8
365.26895	39.4
366.27109	1.2
367.04843	32.8
368.05246	2.2
385.05960	25.9
386.06198	2.8
408.07440	13.6
421.29486	100.0
422.29855	2.1
439.25433	1.3
439.30603	13.6
477.19788	1.2
501.25916	3.6
519.17017	22.3
519.27045	21.4
519.34686	1.6
520.16833	1.3
537.17712	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	519.1858
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.7
55.01882	0.8
57.03454	0.7
59.53322	0.5
61.02924	1.1
63.02356	0.5
63.83242	0.4
69.03433	3.3
69.86551	0.4
70.06585	0.7
71.04990	1.2
71.59204	0.7
72.98400	0.4
73.02914	0.8
73.04758	0.5
74.97385	0.4
79.05481	1.1
81.03403	1.2
83.04951	0.5
85.02898	7.8
86.09730	0.6
91.05399	0.8
93.07024	0.5
94.04168	2.4
97.02884	3.0
105.07003	1.6
105.96004	0.5
107.04949	1.5
107.08560	0.6
109.02853	0.7
114.07362	0.4
115.05457	1.3
116.98598	0.5
117.06997	1.2
118.04234	0.5
119.04893	0.6
119.08561	0.6
120.20231	0.5
122.03638	5.0
127.03915	1.7
129.07005	0.9
131.04913	1.8
133.06494	1.3
133.10112	0.7
133.40903	0.5
135.04442	0.6
135.11679	0.6
137.05969	100.0
138.06258	0.6
143.04922	7.0
143.94881	0.5
147.04411	1.9
149.05965	0.7
151.02722	0.9
151.03896	12.5
151.04991	0.9
151.07378	0.5
153.05467	8.6
157.06544	0.5
159.08046	0.8
161.05971	2.8
162.03270	0.5
163.04007	0.9
163.07521	0.7
167.05592	1.2
167.06973	0.9
175.07513	4.4
177.05495	2.7
179.07004	0.5
179.08469	0.7
187.07520	4.5
187.17195	0.5
189.09038	0.5
199.07512	3.7
203.07050	1.4
205.08592	3.6
206.07373	0.6
207.08136	0.8
217.08536	0.6
218.07256	0.7
219.01904	0.5
219.07967	1.4
233.09625	1.0
234.06671	1.0
235.07480	1.7
247.07446	1.2
249.09085	1.4
251.06970	0.5
261.09018	0.9
263.07010	1.1
267.10107	2.2
275.07050	0.9
277.08502	1.2
279.10135	1.2
283.02896	0.7
289.08618	0.9
292.07364	0.9
293.11691	0.6
295.09619	2.2
299.06107	1.7
307.09537	2.6
309.11050	0.7
321.11130	1.0
327.12274	18.7
339.12259	7.4
344.97610	0.6
347.12436	0.6
349.10977	1.3
357.09006	0.5
357.13324	8.2
365.13934	0.8
373.04083	0.5
489.17609	1.0
517.22406	0.5
519.18280	39.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2719
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	0.6
56.96427	1.9
56.96728	1.3
57.06963	1.1
57.07235	1.0
67.05349	2.3
67.05735	1.2
69.06928	1.2
69.07265	0.7
71.60300	0.9
77.08744	0.6
79.05315	2.4
80.99223	0.5
81.06872	2.5
81.07408	0.9
82.55489	0.6
85.06380	1.0
87.71053	0.5
89.03729	1.8
89.04237	0.7
90.04124	0.5
91.05381	2.6
91.06175	0.6
93.06857	4.6
93.07480	1.1
93.62718	0.4
94.07232	1.1
94.07744	0.5
95.04830	1.2
95.08405	3.5
96.08813	0.8
105.06884	1.2
107.04815	1.1
107.08389	6.7
107.09181	1.1
108.08804	1.0
109.06329	1.4
109.09952	4.3
109.10754	0.8
110.10326	0.8
117.03170	3.4
117.06829	0.6
119.04743	2.1
119.08447	0.8
123.07849	2.1
124.08730	0.6
133.09959	0.5
135.04196	5.9
135.07901	0.8
135.11479	5.3
136.11839	0.9
137.05835	0.9
137.09485	0.6
137.13091	0.7
137.14394	0.5
145.02612	3.6
146.02960	0.7
147.04185	7.4
151.07320	2.5
152.08321	5.9
153.12550	0.9
161.09541	0.6
163.03914	31.3
163.05179	1.8
164.04243	6.1
165.09122	7.6
165.12579	1.2
166.09528	0.6
167.05402	1.4
174.91911	0.5
177.09055	0.6
177.12666	0.7
179.10451	1.7
181.01410	0.6
193.12108	0.5
194.12999	4.9
207.13829	3.2
209.01126	1.0
211.02495	2.0
213.04213	0.9
225.00409	0.7
235.16818	0.7
237.00688	6.4
238.00781	1.4
239.02132	1.1
255.01799	8.8
256.01874	1.8
257.03021	1.7
260.02185	0.6
263.19925	2.2
273.02802	9.8
274.02985	2.4
275.03250	0.6
277.21579	0.8
278.03253	1.0
283.02966	0.8
296.04391	0.7
299.06189	3.1
319.26474	3.5
335.25699	2.0
347.25827	47.5
348.26025	1.0
352.14371	3.0
352.64392	6.7
353.14514	1.4
361.14816	3.4
361.64957	4.7
362.15152	1.9
365.26889	55.0
366.27142	1.2
372.65640	1.8
373.09229	1.1
373.15820	5.2
373.65936	1.1
374.16235	0.8
382.16266	0.6
389.13132	1.0
390.12952	0.8
393.66730	0.7
395.17572	0.6
403.28427	0.7
405.10117	0.8
407.14120	2.8
421.29498	100.0
422.29715	1.8
439.30569	30.5
501.25934	4.3
518.72534	2.5
519.27380	37.4
537.18042	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1858
Annotation	Simplexoside
Peak:m/z	Relative Intensity
53.03931	0.7
55.01882	0.8
57.03454	0.7
59.53322	0.5
61.02924	1.1
63.02356	0.5
63.83242	0.4
69.03433	3.3
69.86551	0.4
70.06585	0.7
71.04990	1.2
71.59204	0.7
72.98400	0.4
73.02914	0.8
73.04758	0.5
74.97385	0.4
79.05481	1.1
81.03403	1.2
83.04951	0.5
85.02898	7.8
86.09730	0.6
91.05399	0.8
93.07024	0.5
94.04168	2.4
97.02884	3.0
105.07003	1.6
105.96004	0.5
107.04949	1.5
107.08560	0.6
109.02853	0.7
114.07362	0.4
115.05457	1.3
116.98598	0.5
117.06997	1.2
118.04234	0.5
119.04893	0.6
119.08561	0.6
120.20231	0.5
122.03638	5.0
127.03915	1.7
129.07005	0.9
131.04913	1.8
133.06494	1.3
133.10112	0.7
133.40903	0.5
135.04442	0.6
135.11679	0.6
137.05969	100.0
138.06258	0.6
143.04922	7.0
143.94881	0.5
147.04411	1.9
149.05965	0.7
151.02722	0.9
151.03896	12.5
151.04991	0.9
151.07378	0.5
153.05467	8.6
157.06544	0.5
159.08046	0.8
161.05971	2.8
162.03270	0.5
163.04007	0.9
163.07521	0.7
167.05592	1.2
167.06973	0.9
175.07513	4.4
177.05495	2.7
179.07004	0.5
179.08469	0.7
187.07520	4.5
187.17195	0.5
189.09038	0.5
199.07512	3.7
203.07050	1.4
205.08592	3.6
206.07373	0.6
207.08136	0.8
217.08536	0.6
218.07256	0.7
219.01904	0.5
219.07967	1.4
233.09625	1.0
234.06671	1.0
235.07480	1.7
247.07446	1.2
249.09085	1.4
251.06970	0.5
261.09018	0.9
263.07010	1.1
267.10107	2.2
275.07050	0.9
277.08502	1.2
279.10135	1.2
283.02896	0.7
289.08618	0.9
292.07364	0.9
293.11691	0.6
295.09619	2.2
299.06107	1.7
307.09537	2.6
309.11050	0.7
321.11130	1.0
327.12274	18.7
339.12259	7.4
344.97610	0.6
347.12436	0.6
349.10977	1.3
357.09006	0.5
357.13324	8.2
365.13934	0.8
373.04083	0.5
489.17609	1.0
517.22406	0.5
519.18280	39.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.3245
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88615	0.0
55.05511	0.1
56.05035	0.6
57.03438	0.1
58.06322	0.1
58.06632	0.4
59.07418	0.2
60.08163	6.4
65.03963	0.1
67.05505	0.6
69.07072	0.1
70.06591	0.1
70.88582	0.1
71.07372	3.1
71.65692	0.0
79.05490	0.3
80.97437	0.1
81.07048	0.5
85.05612	0.0
86.09705	31.0
87.10068	0.1
89.56174	0.0
91.05478	0.1
92.78429	0.0
93.07043	0.3
95.04977	0.1
95.08596	0.4
98.98466	2.8
104.10743	2.8
105.07057	0.1
107.08599	0.1
109.10152	0.1
118.03253	0.0
119.08578	0.1
121.10197	0.1
125.00004	21.8
135.11665	0.0
143.01031	0.3
166.02713	0.1
174.05327	0.0
184.07338	100.0
185.07684	0.4
258.11032	0.1
335.25766	0.2
487.32230	0.1
500.31317	1.2
518.32428	3.0
519.32495	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	518.3242
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.2
55.01856	0.1
55.05508	0.7
56.05035	0.8
58.06562	1.0
59.07386	0.2
60.08163	13.2
65.03938	0.2
67.05503	2.1
69.07064	0.7
70.06587	0.3
71.07374	5.1
71.23983	0.4
79.05497	1.5
81.07058	2.3
83.04970	0.2
86.09705	45.0
91.05473	0.5
93.07034	1.8
95.08603	1.5
98.98457	3.5
104.10742	65.3
105.07037	0.6
105.11085	0.2
107.08595	0.7
109.10165	0.3
116.11182	0.2
119.08574	0.2
121.10162	0.6
123.11685	0.2
125.00002	27.3
131.08598	0.3
133.10117	0.2
135.11702	0.3
143.01048	0.4
145.10129	0.2
147.04329	0.1
149.13353	0.2
163.01550	0.5
166.02672	0.2
173.13336	0.2
184.07338	100.0
185.07578	0.3
185.42413	0.2
229.19464	0.3
232.46014	0.2
247.20624	0.6
254.26328	0.2
258.11023	0.7
299.58179	0.2
321.24197	0.2
335.25894	0.3
339.25427	0.2
403.12622	0.2
500.25476	0.2
500.31403	5.7
518.32452	23.2
519.32953	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.169
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96565	67.1
67.05494	3.1
69.07057	1.2
71.23472	1.0
71.59769	1.4
74.97620	1.9
75.79295	0.7
77.28639	0.7
79.05501	3.1
79.47492	0.8
81.07043	4.0
83.05013	0.9
84.47604	0.7
87.99644	0.9
91.05412	3.7
93.07035	10.8
95.04981	1.0
95.08585	2.7
105.07006	1.4
107.08590	11.0
109.10166	3.7
117.03394	1.5
119.04922	4.2
123.11723	1.2
135.04724	0.8
135.11693	12.3
145.02864	1.3
147.04401	15.4
147.05518	1.2
153.12778	1.8
153.71255	0.8
159.01237	1.5
167.05557	1.6
169.01746	4.0
177.02193	1.6
177.05479	5.6
181.01741	2.3
187.02823	6.5
191.00157	4.2
193.01782	2.7
195.03268	14.7
197.01265	1.1
199.02707	0.9
199.99988	0.9
203.00366	3.2
209.01241	9.3
210.02112	0.7
211.02763	10.8
213.04349	48.8
214.04768	1.4
218.04939	1.9
221.01172	12.0
227.02415	1.5
229.03857	2.2
231.05359	7.4
234.04329	1.6
236.05986	6.7
239.02260	99.0
240.02588	0.9
244.02788	2.0
246.11790	0.9
257.03326	100.0
258.03943	1.2
262.03851	18.3
275.04401	1.6
280.04926	13.0
283.02988	0.9
285.05481	1.7
299.06244	1.6
299.16409	2.7
325.24033	1.2
347.25824	1.2
355.12305	3.2
367.04898	27.8
368.05829	0.7
373.13208	8.9
385.05969	25.1
388.06580	0.8
391.14355	5.0
396.14713	2.4
403.06909	4.2
408.07608	9.7
421.29309	2.6
501.15472	6.3
519.16913	79.7
520.17120	2.4
537.17896	8.9
542.18439	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	517.3313
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37367	0.9
53.03927	1.6
55.05507	3.4
62.37233	1.0
65.03917	1.5
67.05500	6.9
69.07060	5.6
69.38555	1.7
69.38961	9.9
71.80869	1.2
79.05496	15.7
80.52523	1.1
81.07062	16.0
83.08581	1.6
89.03917	1.3
91.04973	1.4
91.05485	20.0
93.07041	65.7
95.04956	4.3
95.08611	8.0
103.05466	1.4
105.07015	13.8
107.08591	99.2
109.06509	3.5
109.10169	6.8
117.06993	1.7
119.08581	6.5
121.10147	2.7
123.04430	1.1
123.11704	2.9
131.08580	2.6
133.02841	1.9
133.10126	4.4
135.04434	2.5
135.11688	100.0
137.13251	4.1
141.06877	1.1
145.10132	3.2
147.04398	3.3
147.11679	6.8
149.13223	1.3
153.70482	1.2
157.06474	1.5
159.04379	1.5
161.13280	3.0
163.03888	12.6
169.10109	1.4
173.05949	1.4
175.14821	1.3
179.08565	2.0
181.04970	1.8
183.08052	1.1
184.07370	1.4
187.07469	2.2
191.69360	1.3
195.08005	1.1
199.07436	1.8
203.17969	15.8
205.15837	3.1
207.07994	1.4
215.69415	1.1
217.04967	4.9
225.09073	5.1
225.12677	1.6
227.07144	1.6
231.06590	1.2
239.10811	1.4
255.10188	1.3
313.14352	7.5
315.15790	3.6
323.20056	3.5
337.21500	2.5
347.20074	1.6
365.21173	10.0
383.22128	9.7
461.34100	2.2
517.22101	1.7
517.32996	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3312
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	1.9
65.03937	2.2
65.36385	1.5
66.27227	1.6
66.41369	1.7
67.05492	5.8
69.07050	3.2
70.66930	5.9
79.05482	12.4
81.07068	9.8
91.05501	13.9
93.07047	56.6
93.07633	3.3
95.04987	4.5
95.08601	5.2
101.02541	1.5
105.07016	10.8
107.08592	88.6
109.06536	1.9
109.10157	7.1
119.08575	6.7
121.10172	4.2
123.11704	2.0
133.02863	4.2
133.10133	4.7
135.04361	2.7
135.11685	100.0
137.13199	1.8
145.10127	2.8
147.11649	5.4
150.40675	1.8
161.13242	3.2
163.03902	7.0
198.75076	1.7
203.17917	11.0
211.11238	1.9
309.22128	4.4
313.14362	5.3
337.21664	1.7
365.21188	3.7
368.95834	1.6
383.11444	1.7
383.22110	1.7
445.66913	1.7
517.33997	12.4
537.80707	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
55.24398	3.0
56.22276	2.7
57.03427	8.7
58.13475	2.5
59.99064	3.0
61.02912	8.0
61.07726	3.1
69.03429	27.6
69.91864	8.1
69.92271	10.7
72.08160	6.7
73.02930	3.7
81.03401	8.9
83.49889	3.4
85.02901	100.0
86.09737	3.5
91.03928	4.1
97.02890	22.1
99.04458	8.8
101.02357	3.0
101.54079	2.7
103.03940	3.7
103.05440	3.0
105.07000	7.2
109.02896	6.6
121.87364	3.1
123.04417	45.8
127.03925	39.0
132.32372	3.2
137.05994	12.3
145.04942	49.0
151.07542	44.0
163.06010	81.3
163.07391	4.8
170.68230	2.8
181.07062	3.4
194.11807	7.4
206.10225	16.9
254.98526	2.8
292.21030	3.7
299.06067	3.8
356.17047	24.2
408.75433	3.1
518.22272	13.0
518.30127	6.4
519.18396	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	515.3732
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.9
53.67550	1.1
55.05511	14.0
57.03426	5.0
57.07060	3.2
57.23511	1.3
60.41647	1.0
61.31804	1.0
65.03938	1.7
65.98671	1.3
67.05503	41.7
69.03421	2.2
69.07066	15.3
70.54562	2.3
70.54929	2.8
71.01330	1.7
71.04980	2.9
77.69642	1.0
79.05489	33.3
81.03384	1.6
81.06570	2.2
81.07051	32.6
82.75840	1.0
83.04971	5.8
83.08619	3.9
85.06528	2.9
91.05481	21.6
93.07040	42.1
95.04971	5.9
95.08617	17.4
96.59451	1.0
97.06518	4.6
97.10159	5.7
99.08102	1.4
105.07024	12.6
107.08591	24.2
109.06480	1.5
109.10138	8.3
117.07020	7.7
119.08584	11.8
121.10148	14.6
129.07034	2.4
131.08556	9.1
133.10100	8.7
135.11682	31.4
137.09637	1.6
143.08572	4.2
145.10115	13.5
147.11594	5.3
149.13264	2.1
153.12729	1.7
157.10153	1.9
159.11713	5.0
161.13249	3.1
163.11185	4.9
163.14862	2.5
169.10141	1.7
171.11711	3.4
173.13298	4.4
175.14754	1.8
181.12257	5.1
183.11771	2.0
185.13342	1.5
187.14890	1.7
195.11732	1.3
197.13213	1.4
199.13268	2.0
243.21027	1.5
261.22183	4.9
423.32593	6.3
441.33832	1.7
494.25162	1.3
497.36023	1.9
515.37329	100.0
516.37744	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3216
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	2.1
53.03944	3.1
53.34990	1.8
55.01862	2.9
55.05513	9.7
57.03432	4.0
57.07074	4.9
57.93183	1.7
65.03934	3.5
67.05505	57.4
69.03428	5.0
69.07072	10.2
69.27567	6.9
69.27993	14.2
71.04989	4.7
74.33839	2.0
79.05493	37.7
81.03398	4.0
81.07056	100.0
82.07402	2.9
83.04950	2.3
83.08633	8.8
85.02937	2.5
88.45988	1.7
91.05472	25.2
93.07040	50.5
95.04989	5.5
95.08605	56.5
97.02876	2.9
97.06541	3.8
97.10174	4.5
99.08094	3.2
105.07029	22.4
107.08589	34.3
107.88918	1.8
109.06508	3.8
109.10155	28.5
111.08095	2.9
117.07016	8.4
119.08567	16.3
119.86112	1.7
121.10149	24.3
123.11699	13.0
125.09544	2.0
127.03909	2.2
129.07028	2.2
131.08572	19.3
133.10127	13.9
135.08044	1.8
135.11703	26.4
137.09657	1.9
137.13245	14.1
138.51227	1.9
139.11143	2.2
143.08531	3.0
145.06548	1.8
145.10129	17.1
147.11705	14.5
149.13239	20.1
151.11096	1.9
151.14798	2.5
157.10167	3.9
159.11697	14.1
161.13258	12.6
163.14812	12.0
165.12833	2.1
165.16338	1.8
171.11636	2.7
173.13287	15.0
175.14754	3.8
177.12759	2.0
177.16415	4.9
185.13303	2.9
187.14828	9.7
199.14836	1.8
201.16290	3.5
215.17946	2.1
233.22742	3.2
243.21072	30.8
255.01740	3.1
261.22141	81.0
273.02798	6.0
303.23260	2.1
335.25720	11.9
353.26874	15.6
374.46240	1.8
387.24500	2.1
417.05057	1.9
435.06079	3.7
461.28659	4.8
497.31042	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	515.3219
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36254	0.9
53.03937	1.5
55.01876	1.6
55.05511	19.0
55.05915	1.0
57.03432	10.1
57.07066	4.0
61.02927	6.9
65.03934	2.4
67.05505	91.2
69.03436	6.1
69.07068	18.9
71.01350	1.1
71.04980	4.5
71.08612	1.6
71.62755	1.2
73.02905	2.0
75.04461	1.7
75.24215	0.9
75.43948	0.9
78.20349	0.9
79.05495	50.2
80.23318	1.0
81.03399	4.5
81.07060	100.0
82.29334	0.9
83.04962	3.1
83.08620	8.5
85.02916	5.9
85.06541	3.6
87.04464	1.4
91.03969	2.3
91.05479	32.1
93.07047	63.6
95.04974	8.1
95.08610	76.2
97.02875	4.8
97.06528	5.1
97.10168	4.0
99.04457	1.6
99.08086	6.6
103.03944	1.7
105.07033	24.7
107.08595	37.8
109.06519	4.5
109.10163	37.6
109.10916	1.6
111.08073	3.6
115.05493	1.0
117.07011	14.0
119.07787	1.8
119.08587	22.8
121.06532	1.1
121.10150	38.0
123.08081	3.3
123.11705	18.2
125.09678	1.1
126.10982	1.0
127.03896	2.0
129.07013	3.0
131.08574	24.8
133.10136	20.1
135.08028	2.3
135.11699	27.9
137.09596	3.2
137.13286	7.0
139.11214	1.8
139.54034	0.9
143.08582	2.9
145.10126	19.9
147.08037	1.6
147.11688	16.1
149.09622	1.7
149.12163	0.9
149.13260	22.8
151.11186	2.1
151.14827	1.2
153.12778	2.7
155.08620	1.3
157.10117	2.9
159.11705	18.1
161.09595	1.9
161.13263	12.8
163.11195	2.4
163.14825	13.9
165.12733	2.8
168.97452	1.1
169.10048	1.8
171.11703	1.8
173.13269	19.6
175.11201	1.1
175.14830	5.2
177.12784	2.3
177.16371	5.9
179.14305	2.8
181.65079	1.1
183.11623	1.4
185.09647	1.1
185.13322	1.7
187.14816	10.5
189.12709	1.1
189.16400	1.5
191.14275	2.4
199.14870	2.0
201.07516	1.2
201.16353	2.7
205.15932	2.4
211.36649	1.0
215.14525	1.0
219.17374	1.5
233.22614	3.9
243.21060	26.9
261.22144	85.3
262.22693	1.3
263.23703	1.1
273.22302	1.6
279.20352	1.1
279.23007	6.1
285.21957	1.8
289.21771	1.3
291.23260	1.4
301.21472	2.6
303.23181	3.8
306.27573	1.1
309.49408	1.2
317.24603	2.7
335.25797	30.3
345.24252	3.9
351.23019	1.4
353.26883	26.9
363.25156	1.4
369.24356	5.0
377.26923	2.7
387.25192	1.9
395.27948	1.3
405.26364	2.8
419.27673	5.5
443.28012	2.8
461.28992	2.6
479.30048	3.2
497.31131	11.8
515.37976	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3059
Annotation	fusicoccin P
Peak:m/z	Relative Intensity
51.42016	1.3
53.03936	1.8
54.29544	1.1
55.05502	7.4
57.03426	4.3
58.33569	1.3
61.02929	10.5
67.05505	17.9
69.03407	1.9
69.07053	6.2
71.04981	1.7
71.60628	2.6
73.02909	4.6
79.05489	20.4
81.03416	2.0
81.07054	48.3
83.04953	2.2
83.08608	3.0
85.02906	10.0
85.06541	1.8
91.03937	4.6
91.05475	17.2
91.72054	1.2
93.07040	27.4
95.04966	4.9
95.08602	14.8
97.02873	7.0
97.06523	2.7
105.07021	20.4
107.08588	22.8
109.06528	2.0
109.10162	7.9
115.89010	1.2
117.07011	5.0
119.08573	22.1
121.10133	17.0
123.11708	7.0
127.03900	2.4
129.07014	3.9
131.08578	10.7
133.10121	19.9
134.10410	1.3
135.08002	1.5
135.11676	14.1
137.13242	10.0
137.62976	1.2
143.08568	4.9
145.10115	11.4
147.04404	3.1
147.11670	18.4
149.13280	10.2
157.10190	3.6
159.11655	8.6
161.13240	13.8
163.11185	2.7
163.14799	3.3
169.10065	2.2
171.11687	6.6
173.13171	6.4
175.11223	1.5
175.14754	7.6
177.12694	2.1
181.10167	1.7
185.13257	6.7
187.14787	2.7
199.14870	2.5
203.14435	2.3
213.16331	2.5
231.21074	3.3
234.99861	3.0
241.19461	15.7
259.20578	37.4
277.21609	7.4
333.24161	6.4
349.23749	4.9
351.25281	100.0
352.25354	2.1
355.15063	2.0
363.25278	1.5
375.25284	1.7
441.26154	3.6
453.11636	7.5
459.27310	3.7
477.28445	3.7
495.29617	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	513.3059
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	6.5
55.01881	5.4
55.05509	25.2
57.03436	41.5
57.07078	3.0
58.66048	2.2
61.02938	14.5
65.03935	4.0
67.05502	66.6
69.03428	28.6
69.07069	19.7
70.84646	6.8
71.01352	3.5
71.05000	19.7
73.02920	14.9
78.58811	2.2
79.05489	67.7
81.03417	27.1
81.06575	5.1
81.07056	100.0
83.04963	10.5
83.08614	12.5
85.02892	37.2
85.06544	6.4
87.04453	2.8
91.03954	11.4
91.05476	49.5
93.07043	86.8
95.04961	14.6
95.08606	64.5
97.02888	36.6
97.06538	6.7
97.10174	8.6
99.04456	9.0
99.08073	2.8
101.02385	9.6
103.03951	7.1
105.07034	55.7
107.04996	3.2
107.08594	56.8
109.02882	12.0
109.06522	7.5
109.10165	25.0
111.04427	4.8
111.08068	7.5
115.03961	3.4
117.07024	21.2
119.04917	3.9
119.08569	41.0
121.06568	3.9
121.10139	44.7
123.08081	5.6
123.11720	9.6
125.09647	7.3
127.03935	18.9
129.05469	8.3
129.07022	10.4
131.08569	28.9
133.06470	2.7
133.10121	32.6
135.08066	3.7
135.11685	37.4
135.32439	2.1
137.05945	2.4
137.09602	4.4
137.13264	8.3
141.06946	2.5
143.08575	10.0
145.04907	4.6
145.10104	23.8
147.04384	10.6
147.08101	3.2
147.11670	28.3
149.09647	5.6
149.13249	15.5
151.11266	2.5
157.10121	9.6
159.08115	2.3
159.11668	17.3
161.13264	17.1
163.11192	5.5
163.14824	7.1
165.12772	4.7
169.10117	3.5
171.11697	10.4
173.13235	16.5
175.14828	7.5
177.12750	4.6
177.16364	3.2
183.06653	4.0
185.13287	11.3
187.14850	11.6
189.16382	3.0
191.14308	2.8
195.13760	3.5
199.14818	8.4
201.16406	5.0
205.15906	7.2
219.08661	2.8
225.16551	2.4
241.19484	15.7
259.20551	35.0
266.67014	2.6
275.20233	3.7
277.21625	43.9
301.21567	3.6
333.24310	9.0
349.16965	4.6
351.25281	98.3
357.24005	2.7
367.22351	2.8
375.25479	2.5
379.24863	4.7
393.26385	3.1
421.25662	3.7
459.27032	3.4
477.28546	5.7
495.29431	5.7
513.30554	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	514.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.8
55.11223	0.3
56.96567	1.9
57.03421	0.7
61.02916	0.9
69.03428	1.7
69.65184	0.9
69.65610	1.6
70.59829	0.4
71.04972	0.9
71.84074	0.3
73.02895	1.4
81.03425	0.6
81.04562	0.3
82.72393	0.3
83.06084	0.5
84.96012	0.7
85.02892	4.2
86.03244	0.5
91.05476	4.4
93.07032	5.1
95.04967	1.2
97.02888	2.0
98.20741	0.6
98.96944	0.5
98.97562	4.6
103.05463	3.9
107.04944	0.7
107.08613	0.5
109.02851	0.5
109.54601	0.4
110.97569	0.3
115.03896	0.4
116.98593	3.7
119.01862	0.4
119.04937	1.4
121.06493	100.0
122.06843	0.9
123.04416	0.4
127.03911	1.1
128.98634	0.6
131.00137	0.5
132.01930	0.4
133.03381	0.3
134.99699	1.8
135.04408	0.8
136.06184	0.7
137.05992	2.1
138.09125	33.1
145.04965	0.5
146.99660	1.3
147.04390	1.6
148.06134	0.4
151.07527	0.8
151.11169	0.4
158.99617	1.3
161.01212	0.6
161.02965	0.5
163.03906	3.0
170.05164	0.4
170.99669	0.4
172.95213	0.6
177.00737	2.1
177.04327	0.5
189.00699	0.4
191.03856	0.4
201.00690	0.4
207.01695	0.4
211.02809	0.4
214.96246	0.6
217.05444	0.5
219.01759	1.4
219.05061	0.4
221.05035	0.6
235.02797	0.6
237.02759	4.1
238.06192	0.4
253.03786	0.7
269.03360	0.6
280.07089	0.7
295.04794	0.6
321.08209	0.5
322.08636	0.8
337.05939	0.5
340.10364	0.7
348.06830	0.4
349.11404	0.8
378.10651	0.9
396.11224	0.6
415.09372	1.1
433.10382	0.4
454.12604	0.6
514.06964	1.4
514.13953	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3057
Annotation	fusicoccin P
Peak:m/z	Relative Intensity
53.03942	2.1
55.05505	5.8
57.03435	4.5
57.07060	2.6
59.40442	1.3
61.02926	8.2
64.81519	1.2
67.05499	19.3
69.03420	4.6
69.07066	6.2
71.04959	2.0
71.59412	1.8
71.59812	1.5
73.02912	5.1
79.05485	25.2
81.03395	2.6
81.07048	23.5
83.08618	4.5
85.02909	10.0
85.06508	1.6
91.03970	4.6
91.05479	21.4
93.07039	33.5
95.04960	3.4
95.08596	16.9
97.02868	7.2
97.06532	2.5
97.10171	2.4
105.07027	18.9
107.04997	1.5
107.08595	22.2
109.10166	6.4
113.09633	1.4
117.07004	6.5
119.08578	24.4
121.10137	21.5
123.11713	2.5
129.06996	4.4
131.08546	10.7
133.10132	20.2
135.11674	17.2
143.08554	5.5
145.10126	12.5
147.04420	2.4
147.11699	15.2
149.09578	1.7
149.13235	10.8
155.08574	1.6
157.10126	5.0
159.11684	11.4
161.13286	16.4
163.14833	4.7
171.11670	7.9
173.13226	8.2
175.14803	9.1
177.12773	1.5
183.11652	1.8
185.13266	6.4
187.14850	1.6
189.12706	1.6
197.13257	2.8
199.14803	4.2
214.56586	1.5
215.17984	1.9
231.20915	3.7
241.19467	16.9
247.44974	1.4
259.20578	39.5
271.20621	2.1
277.21732	7.0
333.24161	5.7
349.23587	1.8
351.25275	100.0
367.22729	2.1
375.25433	2.5
441.26498	4.8
457.11871	1.5
459.27289	3.3
477.28607	2.5
495.29227	3.1
513.27887	3.2
530.70911	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3055
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.6
55.05507	6.7
56.96568	2.6
57.03434	4.7
61.02930	10.9
67.05502	20.7
69.03420	4.3
69.07071	7.7
69.24417	2.1
69.27525	22.2
73.02911	5.6
79.05492	26.9
81.03415	3.1
81.07055	24.6
82.99728	1.8
83.08615	2.4
85.02916	11.8
91.03944	5.8
91.05473	23.8
91.61485	1.7
93.07045	36.9
95.04945	3.2
95.08609	18.1
97.02887	5.5
97.10140	1.9
105.07040	23.0
107.08595	19.2
109.06534	2.6
109.10150	13.7
117.07010	5.5
119.04957	3.0
119.08573	20.1
121.10138	18.2
123.11670	3.3
131.08566	10.1
133.10129	20.1
135.11694	18.1
137.45108	1.9
143.08536	3.9
145.10115	13.3
147.04396	16.8
147.11674	23.3
148.04692	3.0
149.13271	13.4
151.11261	3.0
157.10153	3.8
159.11662	9.1
161.13266	13.2
163.03900	3.4
163.14839	3.0
171.11734	7.7
173.13234	7.0
175.14836	5.7
185.13216	6.2
189.12941	2.0
197.13210	2.8
199.14867	3.4
213.16379	2.5
222.48256	2.2
228.43504	1.9
231.21094	3.2
241.19403	14.6
257.03516	3.4
259.20575	34.8
277.21741	4.1
285.10114	3.0
323.21796	2.0
333.24139	5.5
349.23788	3.2
350.12701	2.3
351.25275	100.0
434.91196	2.0
441.26318	4.9
459.27570	2.2
477.28412	3.6
495.29468	3.6
512.50244	4.3
513.50494	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	513.306
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	3.1
55.05507	12.0
57.03434	5.4
57.07045	3.9
61.02924	16.4
67.05511	20.7
69.03407	4.9
69.07070	12.2
70.93044	5.1
70.93384	3.5
73.02914	6.5
79.05135	2.6
79.05498	30.6
80.10313	2.1
81.03404	3.4
81.07057	39.2
83.08601	4.1
85.02896	10.5
91.03932	10.5
91.05474	27.7
93.07029	38.2
94.07382	2.3
95.04967	5.0
95.08609	22.2
97.02906	6.0
105.07027	28.2
107.08599	24.5
109.10151	9.3
117.07001	6.8
119.04913	2.3
119.08580	27.6
121.10160	14.7
123.11685	3.4
127.40031	2.5
129.06995	5.6
131.08595	11.2
133.10123	21.0
135.11656	21.7
137.13249	5.6
143.08516	7.5
145.10121	10.6
147.04370	11.9
147.11682	18.9
149.13272	13.6
151.11189	2.5
157.10062	5.6
159.11630	12.0
161.13269	19.8
163.03828	5.0
163.14778	4.9
169.10060	3.3
171.11642	9.9
173.13269	6.0
175.14813	8.8
185.13197	7.5
192.52238	2.4
195.11551	2.9
199.14847	3.8
211.05946	2.9
213.16298	2.4
231.21040	4.5
241.19507	12.4
256.26166	2.9
259.18033	2.9
259.20569	38.4
266.57864	2.5
277.21597	3.7
333.24396	3.9
334.63248	2.4
351.25250	100.0
367.22318	2.8
385.23840	2.9
441.26013	5.8
477.28314	4.2
495.29401	6.8
513.51093	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	513.3055
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	6.5
55.01859	7.2
55.05515	21.6
56.38544	1.4
56.96557	5.0
57.03428	19.3
57.07066	4.3
59.04991	2.0
59.47209	1.5
61.02935	10.1
65.03938	3.6
67.05502	74.5
68.90967	1.8
69.03424	16.6
69.06725	1.8
69.07068	23.7
70.06581	2.7
71.01383	2.0
71.04986	6.5
71.62785	2.5
73.02908	7.1
79.05489	53.6
81.03421	20.3
81.07053	100.0
83.04981	9.6
83.08618	15.9
85.02903	25.7
85.06523	6.6
87.04462	2.7
88.07633	1.6
91.03950	7.1
91.05479	42.7
91.33932	1.6
93.07038	67.7
95.04958	10.1
95.08600	56.0
97.02881	22.4
97.06524	9.9
97.10151	5.0
99.04443	5.7
99.08076	3.1
101.02374	6.5
103.03931	4.7
105.07026	35.6
107.04886	2.5
107.08598	48.6
108.26933	1.5
109.02885	6.0
109.06519	5.0
109.10156	30.6
110.83966	1.4
111.04449	2.9
111.08067	4.6
117.06998	9.0
119.04971	3.9
119.08580	31.6
121.06479	2.7
121.10140	26.9
123.08047	4.3
123.11681	8.7
125.09650	4.5
127.03889	12.8
129.05475	5.0
129.06976	5.5
131.08562	11.6
133.10127	28.0
135.08032	3.8
135.11699	24.4
137.09576	2.4
137.13257	12.3
139.11177	4.0
141.07030	2.1
142.07837	1.8
143.08536	4.1
145.04964	5.6
145.10144	10.8
147.04411	12.5
147.11687	17.5
149.05984	4.0
149.09608	3.3
149.13257	15.7
151.11179	5.7
157.10115	5.5
159.11668	14.5
161.13249	13.9
163.03867	3.3
163.11205	3.6
163.14841	3.1
165.12732	3.9
171.11661	6.8
172.49730	1.9
173.11687	5.1
173.13257	9.3
175.14799	4.9
177.12653	2.3
179.14330	6.3
183.06523	3.3
183.11711	2.2
185.13246	6.7
187.14836	1.9
189.11224	3.4
189.12665	3.5
199.14810	3.3
200.20052	3.1
201.12599	1.9
203.12773	3.2
229.14267	5.2
231.21080	2.1
235.17030	2.1
239.02209	5.9
241.19539	6.9
257.03342	5.2
259.20554	27.8
261.22153	1.6
262.03729	2.2
269.17480	2.3
275.20099	2.0
277.21652	40.1
333.24252	7.6
341.10239	2.7
349.17053	1.9
349.23898	1.7
351.25290	59.0
374.87234	1.9
379.24927	3.1
385.23706	3.2
459.27463	3.7
477.28030	2.4
495.29535	4.7
512.50366	2.2
513.30273	15.8
513.36084	1.7
513.50787	3.9
514.27808	3.8
535.16364	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	512.4099
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.7
55.05508	21.3
57.07070	13.6
65.03928	4.0
67.05504	48.3
69.07068	20.4
70.06596	8.6
71.08618	6.5
71.22597	3.4
73.02899	1.7
73.12320	1.5
78.31619	1.6
79.05499	31.7
80.05019	4.0
81.07055	53.6
82.06564	3.6
83.08620	9.7
85.10205	2.7
88.07652	11.4
91.05479	62.3
93.07042	68.2
93.07631	3.8
94.06551	2.6
95.04984	12.2
95.08604	54.9
97.10157	19.0
102.09170	10.6
105.04471	2.9
105.07030	81.7
107.08595	44.4
109.10149	34.5
117.07014	3.4
119.08578	54.4
121.10135	33.1
123.11707	9.9
125.09621	8.4
131.08539	2.5
133.08635	1.8
133.10132	42.1
135.11684	8.5
140.14340	5.6
143.10681	2.0
145.10156	4.1
147.11685	72.8
148.85213	1.6
149.13228	2.2
150.12767	15.4
161.13264	7.6
175.14801	5.3
177.85754	1.6
203.17946	15.9
204.13968	1.8
228.23271	2.6
248.36417	1.8
256.26361	35.0
274.27469	2.8
283.26306	36.9
292.22717	47.7
310.23761	21.7
311.29395	3.2
327.20404	1.8
371.06857	1.7
512.40900	100.0
512.50250	93.1
512.57990	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	513.1373
Annotation	Gemixanthone A
Peak:m/z	Relative Intensity
56.96574	1.1
71.26143	1.2
75.07376	0.6
84.96034	0.8
85.02904	2.8
85.06561	0.6
93.07062	0.9
93.96157	0.5
95.05025	0.7
95.08595	1.1
97.02869	0.8
98.97572	1.7
104.70204	0.6
107.08606	1.3
116.98604	1.5
123.04457	0.9
128.98587	1.0
134.99747	0.7
135.11717	1.2
146.99652	1.1
161.01431	0.6
161.06059	0.6
179.55927	0.6
184.00491	0.7
219.01791	2.4
237.02814	6.2
250.18188	0.6
258.67474	0.7
294.03494	0.7
310.03592	1.2
328.04636	1.0
363.06198	1.3
369.08591	2.5
377.96225	0.7
513.13708	100.0
514.14105	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.4099
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	5.9
55.05296	1.8
55.05511	18.8
57.07057	7.5
65.03939	3.8
67.05501	48.5
69.07067	19.3
70.06580	8.3
70.79248	6.5
71.08625	4.7
79.05491	31.2
81.07054	54.6
83.08607	6.1
84.94912	1.9
85.10210	2.4
88.07621	8.2
89.06042	2.2
91.05476	66.8
93.07037	79.6
94.06559	2.8
95.04967	8.9
95.08602	56.8
97.10144	8.8
102.09158	8.1
105.07024	79.1
106.06560	4.5
107.08588	41.8
109.09459	3.5
109.10153	39.2
116.62941	1.9
117.06996	7.4
119.08574	57.6
120.08116	4.4
121.10141	31.9
123.11686	8.6
131.08527	4.9
133.10114	43.3
134.09613	2.8
135.11719	9.6
145.10130	4.2
147.11671	68.6
147.12793	4.6
150.12791	11.8
159.11748	4.1
161.13269	10.7
175.14833	6.0
176.14351	4.7
203.17950	24.5
204.13770	6.4
222.14949	11.8
228.23221	2.6
231.73808	2.0
256.26398	26.8
274.21616	3.4
274.27438	2.9
283.26361	24.1
292.22678	55.4
310.23734	34.0
320.76733	2.4
327.20096	2.2
512.40863	100.0
512.50183	70.0
512.57709	2.1
513.41437	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	512.4099
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	5.1
55.05506	22.6
56.05011	1.4
57.06850	1.1
57.07074	11.6
58.06583	1.5
65.03926	4.8
67.05503	73.1
69.07066	19.5
70.06597	7.8
71.08617	4.7
71.09988	2.7
77.03905	2.0
79.05488	44.0
80.05005	4.3
81.07051	64.0
82.06559	1.6
83.08616	12.1
88.07633	9.6
89.06031	3.1
91.05476	86.9
93.07036	89.2
94.06548	2.8
95.04963	11.5
95.08601	68.0
97.10166	14.8
99.39799	1.3
102.09158	5.5
103.05450	1.6
105.04536	1.8
105.07024	98.4
107.08588	51.5
109.06505	2.5
109.10148	45.1
111.11734	2.8
117.07011	5.6
119.08575	64.3
121.10138	40.1
123.11707	12.8
125.09620	8.3
131.08551	3.3
133.08595	2.6
133.10120	53.8
135.11658	7.7
138.31329	1.5
140.14331	3.4
143.10672	1.8
145.10052	3.0
147.11678	79.5
149.13222	1.8
150.12773	14.7
161.13258	17.8
175.14803	7.8
176.62492	1.3
203.17941	22.4
203.19734	2.3
218.63451	1.5
228.23259	1.9
256.26328	25.2
274.27267	3.2
283.26321	26.3
289.79910	1.4
292.22678	46.2
310.23730	23.9
311.29276	2.6
512.40845	100.0
512.50159	61.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.3642
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	7.8
57.03430	5.0
57.07076	47.5
61.02900	5.5
67.05512	16.1
69.07047	10.3
71.08637	39.2
71.58547	4.4
75.04469	2.7
81.07058	24.2
83.08611	11.6
85.02901	6.3
85.10180	21.1
93.07038	4.8
95.08138	2.7
95.08613	31.6
97.10170	4.4
98.98450	3.0
101.01407	2.7
107.08601	4.0
109.10155	13.6
123.11721	4.3
135.11703	3.4
137.13239	4.1
141.62177	3.1
152.69685	2.5
155.01051	3.0
176.42805	3.0
200.48726	3.1
219.75150	2.7
239.23723	30.1
313.27374	100.0
314.27600	3.7
331.28494	21.1
338.27719	3.2
339.28885	10.1
355.79730	2.7
383.27966	3.9
401.28925	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	511.1786
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78891	0.2
61.33471	0.2
63.14261	0.2
69.49378	0.5
69.49797	1.3
71.04985	0.5
81.07035	0.4
85.02882	1.1
95.01102	0.4
95.08578	0.3
97.02896	0.3
106.18333	0.2
107.04951	0.3
109.10203	0.2
113.02118	0.3
116.06922	0.2
121.10116	0.3
133.10132	0.3
135.04395	0.2
137.05966	0.4
163.03915	1.0
167.07066	0.3
169.04739	0.5
185.04231	0.6
202.06059	0.3
203.06769	1.0
243.08559	0.3
267.09912	0.5
289.08850	0.4
331.10028	2.8
365.12018	4.1
420.48944	0.2
426.26773	0.2
511.17868	100.0
512.18152	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	510.2467
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	2.7
55.05509	2.9
57.03437	1.2
57.07051	0.8
58.56034	0.4
62.06087	0.9
67.05497	4.4
69.03423	0.6
69.07072	4.0
69.34917	1.5
69.35336	3.3
69.50462	0.4
73.02911	0.4
77.84538	0.4
79.05486	3.5
81.07057	19.5
83.04971	2.3
83.08609	1.7
87.38834	0.5
91.05499	2.5
93.07062	3.6
95.08604	5.3
97.02924	0.5
97.06533	1.1
98.21530	1.1
101.09657	0.5
105.07008	1.9
107.04934	0.7
107.08588	3.8
109.06520	8.8
109.10136	3.0
111.04440	16.3
111.08092	0.8
113.05974	0.6
119.04897	0.8
119.08590	3.9
121.06483	0.5
121.10147	4.0
123.08056	2.0
123.11703	2.1
125.05988	5.0
131.08583	2.4
133.10132	4.5
135.08020	2.8
135.11691	5.4
137.05974	100.0
137.13271	2.7
138.06302	1.2
139.11122	0.5
143.08556	1.2
145.10162	0.8
147.04437	0.9
147.08043	1.5
147.11676	6.3
149.09633	4.8
149.13274	1.7
151.07523	2.7
151.11166	1.4
157.10114	2.1
159.11725	1.1
161.09618	7.0
161.13275	1.9
163.03926	1.8
163.11191	3.4
163.14789	1.0
165.09087	2.3
165.12712	0.6
167.07036	0.5
167.10730	1.1
171.11687	1.3
175.11195	4.4
175.14847	1.3
177.09099	1.0
177.12700	0.7
179.10663	2.1
185.13261	0.8
189.12767	1.4
193.12187	1.0
198.05318	0.6
203.17964	7.5
205.19518	0.7
213.16341	2.9
216.06367	1.6
221.19022	2.7
223.14868	0.7
231.17442	8.5
241.15936	1.6
249.00688	0.5
249.18498	6.2
259.16901	0.6
276.19531	0.7
277.17990	42.8
278.18170	0.6
295.19022	15.3
320.22275	3.3
338.23343	0.6
351.21655	70.6
352.21774	1.1
369.22723	40.6
431.18393	1.9
474.22473	1.4
492.23587	4.8
510.24658	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	510.3553
Annotation	1-heptadecanoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
50.23770	0.4
55.05510	0.6
56.00952	0.4
56.05029	1.3
57.03428	0.5
57.07078	4.8
58.06599	1.2
60.08166	17.5
62.21532	0.5
64.18394	0.4
67.05505	1.2
69.07063	1.2
70.83978	1.2
71.07377	5.5
71.08632	3.1
79.05523	0.4
81.07063	2.5
83.08619	1.7
85.10190	2.0
86.09709	45.8
95.08606	2.7
97.10186	0.6
98.98476	2.7
104.10747	100.0
105.11097	0.7
109.10181	1.1
111.80299	0.4
123.11665	0.5
125.00011	26.9
132.72557	0.5
143.01060	0.7
147.04436	0.7
163.01547	0.7
184.07346	94.4
239.23741	1.6
258.11099	1.0
307.72656	0.5
313.27402	6.3
327.28970	1.5
331.28659	0.6
492.34454	9.9
510.35577	42.1
511.35904	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.1795
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45958	1.0
53.03931	2.5
55.01868	4.0
58.98547	1.1
65.03929	3.0
67.05497	1.5
69.03411	1.4
69.97576	1.2
70.02088	7.2
75.04480	3.0
77.03928	1.5
78.04716	2.1
79.05474	3.9
81.07060	2.0
85.02895	6.0
91.05479	35.3
92.67601	1.2
93.03413	8.8
93.07025	7.0
95.04965	5.5
98.21511	1.3
103.05476	10.5
105.03397	7.4
105.07049	6.1
106.04165	14.6
106.45625	1.3
107.04962	7.0
108.05754	1.5
109.06523	5.3
115.05485	1.3
117.03400	1.7
118.04165	1.5
119.04945	33.9
121.06510	22.1
123.04433	3.6
123.08062	3.2
124.05153	1.4
125.05975	4.0
130.04128	1.3
131.04919	10.3
132.05711	5.8
133.06482	4.6
134.03616	4.1
135.04384	2.2
137.05936	7.2
139.07541	1.5
144.63187	1.2
145.06500	1.4
147.04408	7.7
147.08003	2.9
148.05176	4.0
149.05983	35.6
151.07532	18.3
151.11195	1.4
153.05449	1.7
153.09102	7.9
158.06921	1.4
159.08047	5.5
160.05228	3.0
161.05968	24.9
161.07236	1.9
162.06776	7.5
163.03915	4.5
163.07561	4.0
165.05492	6.6
166.06282	1.6
167.07042	40.2
175.07582	12.3
176.04640	1.6
177.05472	22.9
179.07033	20.1
180.07867	9.1
181.08611	13.9
187.07530	12.5
190.06262	2.7
191.07036	16.6
192.07790	7.9
205.08597	41.1
209.08092	100.0
210.08789	2.0
217.08597	3.0
223.04282	7.8
233.09483	1.3
235.09659	14.3
281.11765	1.5
284.11121	3.4
309.11151	2.5
310.11588	1.6
311.10159	3.3
312.10815	8.2
316.07635	1.3
321.11255	2.2
329.11179	5.5
330.11667	15.0
339.12213	3.3
341.13797	3.3
347.12347	15.1
348.12674	41.1
359.14774	3.5
371.15079	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.3683
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	21.0
57.07077	16.5
67.05501	27.4
69.03410	2.5
69.07067	59.9
69.92825	10.2
69.93235	4.0
71.04993	3.0
71.08620	9.3
75.45994	2.4
79.05479	12.8
81.03404	6.0
81.07052	100.0
83.08612	35.9
85.02912	14.2
85.06546	15.1
85.10126	2.7
91.05464	4.8
92.79140	2.3
93.07048	20.0
95.04969	3.5
95.08604	99.7
97.02888	2.2
97.06484	3.4
97.10158	19.1
99.08076	12.7
104.34181	2.7
105.07027	6.8
107.04968	5.3
107.08595	17.8
109.06502	4.1
109.10152	62.4
111.11710	22.2
113.09621	4.0
119.08593	3.8
121.06486	2.8
121.10126	14.3
123.11700	39.7
125.13253	9.2
127.11178	4.9
129.12766	3.9
133.10117	3.7
135.11674	11.5
137.05986	6.0
137.13248	20.7
141.12817	2.2
143.14314	5.0
147.11656	2.6
149.13252	11.2
151.14815	19.2
155.14339	3.1
163.03877	3.9
163.14818	9.9
165.16399	11.7
167.06998	2.5
169.15828	2.9
177.16348	4.4
179.17949	3.4
183.17471	2.5
187.14749	2.2
191.17955	3.9
193.19527	3.9
199.20631	3.3
205.19604	2.3
211.20535	2.4
219.20982	4.0
223.20596	2.1
237.22171	3.3
245.52977	2.3
259.17648	2.3
275.27438	11.3
281.28439	13.7
289.05212	10.6
293.28384	27.4
311.29425	40.3
329.30380	5.9
346.91238	2.3
491.33789	2.5
509.22989	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	509.3685
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	30.6
57.03415	5.6
57.06861	2.5
57.07074	25.9
62.39295	2.9
62.61728	2.9
67.05500	39.7
67.13763	2.6
68.50445	2.5
69.03427	4.5
69.07067	73.4
70.56329	2.6
70.80029	5.3
70.80389	7.2
71.05012	3.1
71.08624	6.2
79.05477	15.1
79.24731	2.8
80.25490	3.0
81.03405	4.7
81.07049	100.0
83.04980	3.3
83.08628	37.5
85.02883	12.9
85.06539	87.5
85.10168	6.2
88.87807	2.7
91.05472	10.1
93.07026	21.6
95.04966	7.1
95.08603	96.9
97.02885	3.5
97.10168	29.0
99.08085	11.5
105.07008	6.9
106.87164	2.8
107.04972	3.8
107.08585	20.4
107.96264	3.1
109.06551	3.6
109.10149	79.5
111.04445	3.3
111.11714	17.7
117.07020	3.8
119.08545	4.5
121.06466	3.7
121.10133	16.0
123.11700	49.7
125.09616	6.9
125.12397	3.7
125.13260	13.0
127.03925	3.3
129.12755	4.6
133.10135	5.6
135.04350	3.5
135.11699	11.0
137.05975	10.1
137.13261	18.8
139.14806	3.6
143.14256	5.2
149.13258	22.0
151.14809	21.3
153.03217	2.5
159.10139	3.6
163.03909	8.1
163.14789	10.1
165.16386	12.0
177.16330	5.7
179.17952	6.9
193.19586	3.7
199.20569	6.4
205.19543	4.5
219.21043	4.8
275.27338	8.9
281.28455	37.6
293.28345	53.7
311.29456	30.2
329.30481	12.9
459.27267	4.7
509.17807	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	509.2363
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14220	0.6
52.95173	0.7
54.22953	0.6
55.01865	1.4
55.05519	1.6
60.76862	0.6
67.05501	2.4
69.07057	1.1
79.05479	2.5
81.03414	2.0
81.07051	4.5
81.38263	0.7
83.04980	1.7
85.02895	1.4
86.59035	0.8
91.05493	2.3
93.07053	2.7
95.04966	1.2
95.08604	1.8
97.10189	0.9
105.07034	1.8
106.71367	0.6
107.04990	0.6
107.08623	1.4
109.06633	0.7
109.10162	1.2
111.04479	0.7
119.01932	0.9
119.08527	0.7
123.11737	0.8
133.10175	1.3
135.11703	1.2
143.01888	1.3
145.10155	0.9
147.04401	0.9
147.11667	0.9
157.03519	0.9
161.03008	2.4
163.03870	0.7
163.11183	0.8
175.04434	1.0
203.04158	0.7
209.11719	0.9
248.44662	0.7
261.18268	0.8
321.19223	1.6
363.20291	1.1
423.23447	13.8
441.23334	1.6
447.23270	1.0
465.24582	30.7
478.05350	0.8
509.23587	100.0
510.23920	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2874
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.1
53.71691	0.7
55.01855	0.8
55.05507	11.4
57.03431	6.3
57.05154	0.8
57.07049	2.3
65.03926	0.8
67.05499	25.6
69.06718	1.1
69.07063	15.2
70.19683	2.8
71.53431	0.7
78.29298	0.7
79.05492	9.2
81.07045	25.6
83.08625	7.3
85.06525	1.1
85.30209	0.7
90.50153	0.8
91.05476	5.8
93.07036	10.6
94.45046	0.6
95.08599	23.0
97.06540	1.3
97.10164	4.5
98.97855	1.3
98.98460	20.6
105.07030	4.4
107.08588	5.8
109.10138	8.1
111.08075	0.9
111.11736	1.5
119.08549	3.0
121.10124	3.1
123.11674	2.0
133.10106	2.7
135.11684	4.3
137.13246	2.1
147.04404	1.3
147.11665	1.1
155.01031	3.0
173.02083	3.3
173.17935	0.8
263.23676	2.5
296.86649	0.9
335.30560	0.8
337.27335	100.0
338.27646	1.5
423.54898	1.0
435.30908	0.7
473.26773	0.9
509.28342	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.217
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	2.4
55.05508	1.7
62.04056	1.5
64.87853	1.4
67.05505	3.5
67.43488	1.4
69.03402	2.6
79.05493	5.9
79.16256	1.6
81.07047	4.0
82.80444	1.8
85.02909	2.3
89.03928	1.6
91.05481	15.2
93.07056	3.2
94.04169	3.1
95.04968	3.7
95.08602	2.5
103.05477	3.7
104.19397	1.5
105.07033	8.0
107.04927	5.5
107.08530	1.8
109.06496	2.1
109.10168	1.9
115.05441	5.2
117.07036	2.9
119.04919	7.8
119.08604	2.1
121.06496	8.6
121.10166	1.6
122.03626	6.5
123.04409	1.7
123.08043	2.3
128.06203	1.4
129.07005	8.8
131.04936	4.3
131.08583	3.7
133.06461	3.8
133.10143	2.1
135.04341	2.7
135.08052	3.0
137.05978	81.3
143.04921	2.4
145.02907	3.4
145.06508	3.9
146.07248	4.8
147.04396	4.0
147.08055	2.9
148.05185	3.5
149.05971	5.0
149.09619	2.7
151.03905	3.0
151.06413	3.0
151.07539	34.2
153.05438	3.0
157.06506	3.9
161.05978	100.0
161.09618	22.4
162.27588	1.7
163.03903	11.0
163.07564	8.2
165.07050	3.4
165.09161	2.9
167.07043	3.8
174.06763	5.9
175.07556	20.8
177.05516	3.8
177.09114	6.4
178.07996	2.0
185.09921	1.5
187.07567	2.0
189.09091	60.7
191.07013	3.3
193.06535	1.6
195.08243	2.9
195.10139	18.4
205.06569	2.8
207.08253	3.0
207.10156	75.2
210.81435	1.9
215.10692	1.9
219.08186	2.5
219.10170	5.8
223.07494	3.2
225.09102	4.1
231.07996	2.5
235.07549	2.6
237.09068	4.3
247.07413	2.9
249.09096	4.9
250.98297	1.6
251.06972	2.2
253.08659	5.2
255.10220	2.7
265.08603	11.0
267.10233	3.9
268.07507	1.7
270.08749	2.1
277.08594	5.8
277.11902	1.8
279.10144	3.8
283.09647	3.5
285.11099	8.3
295.09616	2.7
297.11243	19.2
299.12695	2.6
305.11496	2.7
309.11130	4.2
311.12799	14.6
317.14008	2.4
323.12775	5.6
327.12509	2.2
337.14389	9.9
349.14343	3.5
355.15524	10.2
358.08820	1.9
367.15454	6.5
461.19540	1.8
479.20636	6.6
491.20374	1.9
509.21457	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	508.2905
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	8.1
55.01884	11.0
55.05506	26.2
57.03439	12.7
60.40318	1.8
63.00625	2.4
65.03928	5.5
67.05496	26.9
69.03427	2.9
69.07057	7.2
70.02938	3.1
70.05125	3.8
70.05511	5.9
71.05002	5.2
71.74442	2.2
72.04145	3.9
72.04516	55.8
73.17786	1.9
74.16601	2.0
74.43143	1.8
79.05486	36.8
80.05022	7.0
81.03411	68.9
81.07052	27.6
82.02940	2.7
82.06567	8.0
83.04980	6.6
83.08615	20.7
84.04512	2.5
85.02935	3.8
85.06554	2.9
91.05475	29.7
91.71063	1.9
92.04981	2.1
93.07053	19.2
95.04964	25.8
95.08603	7.2
96.04491	8.5
96.08094	2.4
97.02888	3.2
97.10159	9.4
98.21460	2.3
102.46881	2.1
102.62443	2.4
105.07006	15.9
107.04952	47.4
107.07005	2.0
107.08594	18.5
108.04480	8.8
109.06506	13.1
109.10207	3.4
110.06075	6.3
111.08092	3.1
115.05422	2.5
117.07023	8.9
119.08589	12.5
121.02856	24.5
121.06480	12.0
121.10143	4.5
122.05978	2.8
123.08047	3.1
124.11235	18.3
125.09614	8.0
126.05492	2.4
128.06215	2.9
129.07022	10.1
131.04855	4.7
131.08540	13.8
133.06465	5.1
133.10143	5.0
135.04419	16.4
135.08061	6.0
135.11678	2.8
137.05988	4.8
141.07005	4.1
145.06476	3.0
145.10190	3.9
147.04434	4.0
147.08028	5.2
147.11682	4.3
149.02351	42.3
149.03490	3.1
149.06169	2.4
149.09573	2.9
152.10690	3.6
157.10187	10.5
159.08080	2.3
159.11679	3.6
160.11143	3.3
163.03883	4.7
163.07506	3.5
170.11765	14.1
173.13261	3.9
175.11214	5.5
178.12257	3.7
183.11636	10.6
188.10645	2.9
193.04967	40.8
193.12189	14.5
199.82362	2.1
201.12738	11.6
203.10683	4.0
205.12244	2.9
206.11765	2.7
208.13416	4.4
219.13808	16.2
224.12900	10.2
226.14413	9.9
229.12239	8.6
237.07581	33.1
242.14012	2.2
247.13277	100.0
255.08607	3.3
267.15912	57.3
280.15411	7.9
281.10202	19.2
298.16479	50.2
321.16949	21.2
341.06589	5.3
359.07617	3.1
385.09296	12.6
422.29953	2.1
429.11844	20.8
430.12100	3.0
472.27231	10.2
473.14227	13.7
473.27908	2.7
490.27914	32.7
508.22467	3.1
508.29208	36.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74983	1.5
55.46818	1.4
57.03428	1.6
57.80019	1.5
65.03931	2.0
65.10375	1.5
67.05501	2.3
69.03452	1.7
71.05009	1.9
71.60074	2.0
79.05503	4.7
81.03418	2.2
81.07040	5.9
85.02912	2.4
85.06549	2.1
91.05473	16.7
93.07041	6.0
94.04192	3.8
95.04986	4.1
95.08601	2.5
103.05462	5.8
105.07044	7.9
107.04955	8.7
107.08572	2.9
109.06535	2.8
115.04711	1.7
115.05489	5.0
117.07029	3.4
119.04926	10.8
119.08569	3.2
121.02827	2.0
121.06499	7.0
122.03638	4.5
123.08089	3.2
127.82015	1.6
128.06158	2.3
129.07019	8.1
131.04906	8.0
131.08572	3.7
133.06548	2.3
135.04434	3.2
135.08044	2.0
137.05975	100.0
143.04944	3.4
143.08580	1.8
145.06487	5.3
146.03676	2.0
146.07246	4.3
147.04408	14.6
147.08038	2.8
148.05154	3.1
149.05998	7.0
149.09590	3.0
151.03891	3.3
151.07541	43.8
153.05479	2.9
157.06499	5.2
159.08139	2.0
160.05270	2.1
161.05974	90.4
161.09576	20.5
162.06587	1.7
163.03893	8.3
163.07597	9.3
165.06905	3.5
165.09135	4.3
167.07004	4.6
174.06781	5.9
175.07545	22.7
177.05560	2.3
177.09154	7.8
179.07065	2.8
179.08516	1.8
187.07530	3.7
189.07355	3.6
189.09087	55.1
189.10718	2.8
190.07803	1.8
191.07033	2.6
195.10167	20.6
199.15019	1.6
201.09074	2.4
202.07692	1.6
205.06598	3.3
206.07281	2.1
207.08258	2.1
207.10153	60.0
211.07718	1.9
219.08202	1.9
221.06108	3.9
223.07523	2.3
224.08028	2.4
225.09074	2.4
227.10686	1.9
234.06825	4.7
235.07483	2.9
237.09036	5.8
244.18683	1.6
249.09087	5.0
251.06976	2.8
251.10640	3.2
253.08624	5.7
265.08636	10.2
267.10178	5.0
269.08047	2.0
270.08896	2.1
277.08621	9.3
277.11652	1.9
279.10226	4.7
281.08316	2.3
283.09650	7.2
285.11230	10.0
293.08249	2.7
295.09802	2.3
297.11188	21.8
299.12711	5.3
305.11725	3.8
309.11227	6.2
311.12784	19.0
317.13901	2.1
323.12885	5.9
329.13840	2.1
337.14355	16.9
341.13757	2.0
349.14554	3.4
355.15390	17.2
367.15390	6.9
435.18039	2.8
461.19623	2.6
479.20831	7.7
491.20779	3.8
509.22113	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	508.3402
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.6
56.05038	0.3
57.03437	0.3
57.07042	0.1
58.06620	0.3
60.08165	6.1
67.05504	0.4
68.05845	0.1
69.07081	0.6
69.87923	0.3
69.88315	0.3
71.07373	2.5
72.08153	0.1
79.05486	0.2
81.07045	0.5
81.76344	0.1
82.07368	0.2
83.08614	0.4
86.09706	28.3
89.73112	0.1
91.05478	0.2
93.07044	0.3
95.08596	0.5
97.10160	0.2
98.98468	2.7
104.10754	2.9
107.08596	0.2
109.10172	0.2
119.08609	0.1
121.10161	0.2
125.00006	18.0
133.10080	0.1
135.11644	0.1
143.01060	0.3
147.04424	0.2
159.57753	0.1
184.07343	100.0
185.07768	0.2
258.10938	0.2
300.96927	0.1
325.27438	0.2
336.26135	0.5
463.60004	0.1
490.32843	1.1
508.27917	0.3
508.34000	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	507.3682
Annotation	R1-Barrigenol
Peak:m/z	Relative Intensity
50.79740	1.7
51.71278	2.2
53.03950	3.7
55.01855	2.5
55.05510	20.4
55.69423	2.3
57.03430	9.3
57.07066	8.0
57.69633	2.1
59.05007	2.7
62.40823	1.8
65.03956	2.2
66.87538	1.9
67.05505	100.0
69.07065	15.5
69.47417	2.2
70.11835	3.1
70.12229	6.0
71.04984	5.8
71.08624	2.7
72.70806	2.1
74.12294	1.7
79.05484	25.3
81.07057	61.1
83.08628	13.1
85.06537	2.5
85.37314	1.9
91.05476	23.2
93.07050	37.3
95.04991	3.6
95.08611	42.9
97.06519	5.1
97.10176	12.5
105.07042	16.7
107.04959	3.4
107.08580	22.2
109.10152	62.3
111.08096	4.6
113.09612	2.1
117.07013	9.1
119.08567	16.6
121.10155	15.4
123.11679	9.8
125.09628	11.4
131.08588	14.3
133.10144	13.4
135.11719	15.4
137.09605	3.5
137.13222	5.9
139.11183	2.9
145.10138	10.3
147.11687	11.8
149.13266	6.9
157.10133	3.0
159.11699	9.4
161.13237	4.1
163.14885	2.9
169.34340	2.1
173.11765	13.8
173.13306	6.7
185.13208	2.9
187.14853	5.7
189.11229	4.8
213.73909	2.4
227.12772	12.4
229.14354	43.4
231.15900	4.0
232.68105	2.2
243.21112	6.2
248.34998	2.1
259.20654	3.0
261.22171	21.6
263.23773	2.7
288.32910	2.0
306.34558	2.3
317.24652	4.1
333.24091	2.5
335.25803	28.9
379.29901	3.3
397.31277	6.5
413.95706	2.3
415.31973	9.1
433.33118	5.5
471.34647	6.9
489.35794	56.1
507.25885	6.9
507.36963	37.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	4.8
57.03430	41.4
57.74869	4.4
58.02954	5.5
58.06589	11.8
59.03733	5.3
59.04970	9.6
60.04526	100.0
61.02919	26.3
62.06072	7.0
66.87860	4.9
69.03432	35.8
70.76727	12.4
70.77063	4.5
71.01323	8.8
71.04969	6.4
73.02550	8.2
73.02919	86.3
74.91445	4.8
75.05591	21.2
76.04004	87.2
76.07237	6.3
76.07645	90.0
78.05563	45.2
79.05470	8.8
81.03419	6.1
84.04506	12.8
85.02438	4.9
85.02908	58.4
87.04459	6.6
91.05464	15.3
97.02891	53.0
105.07034	9.7
107.04962	37.2
109.02829	9.3
114.81724	4.7
115.03922	55.1
119.04955	7.8
120.08133	5.3
121.06508	29.7
123.04390	13.0
127.03922	22.4
133.05014	11.7
133.06483	16.5
135.04413	24.7
136.07553	7.5
137.05988	26.9
140.92749	4.5
145.04967	24.3
145.06487	6.5
147.04538	5.0
148.07607	6.1
149.05995	6.1
150.09102	9.4
151.07532	8.5
152.06992	6.0
153.05447	31.2
154.08693	5.3
160.07646	22.5
161.05989	13.2
163.06003	10.7
174.07652	6.1
175.07455	6.0
175.43881	4.8
178.08640	68.0
179.07031	23.3
180.10202	7.4
187.07509	9.7
196.09703	59.0
197.08139	7.9
197.12466	4.3
198.11253	7.9
205.08586	12.6
209.27016	5.3
214.10756	48.7
217.08673	9.8
229.08670	4.4
235.09554	9.9
267.08694	6.4
295.10178	10.9
308.62292	4.9
358.14786	7.0
361.45731	5.6
438.48605	4.8
466.51892	4.6
490.19095	7.7
508.19977	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	507.353
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	7.8
55.01868	7.3
55.05512	36.0
57.03428	24.1
61.02937	10.5
65.03920	5.3
66.21456	5.1
67.05508	49.0
69.03432	42.4
69.07072	44.9
69.48420	51.4
69.55665	5.2
71.04987	14.5
79.05480	21.7
81.03413	28.0
81.07057	100.0
83.04990	25.4
83.08624	26.0
85.02909	73.5
85.06540	20.1
88.19535	4.8
88.50951	4.9
91.05473	28.6
93.07041	37.8
95.04988	14.8
95.08609	97.9
97.02902	31.1
97.06532	6.9
97.10155	22.2
98.20798	11.7
99.04434	9.6
99.08089	8.1
105.07034	24.3
107.08569	39.0
109.02876	24.8
109.10146	57.7
111.04429	27.6
111.11724	13.0
113.09607	7.4
119.08599	16.6
121.10136	48.8
123.11728	23.5
125.09624	9.0
127.03899	32.2
131.04865	7.5
133.10135	17.8
135.04395	11.5
135.11676	30.3
137.05992	23.3
137.09604	6.9
137.13264	15.1
139.11168	6.9
145.04974	7.8
147.04375	6.5
147.11659	15.3
149.09523	6.1
149.13278	35.5
151.07550	7.5
151.14871	5.4
153.05453	8.9
161.13310	11.4
163.03893	32.2
163.07504	9.5
163.14851	26.3
165.09085	15.0
167.07077	16.7
177.16344	6.3
181.05106	6.1
181.08643	6.5
187.07556	6.2
191.17976	7.3
199.07571	6.2
217.19504	15.6
235.20569	29.6
253.21635	13.2
253.65897	6.0
273.25763	10.5
291.26794	58.5
298.95822	5.7
303.04965	30.4
309.24127	9.0
327.25320	48.0
345.26306	31.9
424.27426	5.2
471.30563	7.7
507.19949	6.4
507.29984	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	507.2723
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.7
55.05511	6.7
57.03439	7.8
61.41208	0.8
64.58383	0.8
65.03955	1.0
67.05507	35.3
67.05872	1.8
69.07066	8.1
70.33242	1.8
70.33636	1.4
71.04980	1.4
75.04458	1.2
79.05064	1.3
79.05495	18.1
81.07059	35.1
83.08614	3.9
83.66830	0.9
86.09708	1.1
91.05494	8.4
93.07045	19.0
95.04945	2.6
95.08612	23.9
95.09225	1.2
95.28643	0.9
97.06531	1.9
97.10136	1.0
98.98467	26.9
99.08144	1.3
103.01874	0.8
105.07050	4.6
107.08600	10.1
109.06544	1.0
109.10158	12.7
111.08112	1.3
116.99480	1.1
117.07005	1.8
119.08598	4.7
120.08115	1.1
121.10114	6.6
123.11709	3.7
129.06964	1.1
131.08565	3.2
133.10117	2.8
135.06802	0.8
135.11687	5.1
137.13268	1.7
145.10152	3.1
147.11703	2.8
149.13217	1.7
155.01056	2.5
159.11684	2.0
161.13307	2.2
163.14964	1.3
173.02141	3.5
173.13239	1.7
184.07304	1.0
187.14844	1.4
218.25026	1.0
224.59673	1.0
243.21078	2.9
261.22107	4.0
317.24854	1.7
333.24161	1.1
335.25793	100.0
336.26242	1.7
507.26883	3.3
507.34290	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3164
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.0
55.01853	6.2
55.05261	3.2
55.05506	38.7
57.03432	25.1
57.07066	6.4
61.02933	11.5
65.03951	2.4
67.05501	44.7
69.03426	45.9
69.06715	3.5
69.07069	47.3
69.07449	2.9
71.04992	15.0
71.08624	3.0
71.62560	2.9
73.02911	6.7
79.05483	22.9
81.03413	18.5
81.07051	67.5
82.32386	1.9
83.04962	11.5
83.08609	35.5
85.02901	100.0
85.06525	7.4
87.04469	5.4
89.03932	1.9
91.03925	3.2
91.05481	14.5
91.85136	1.8
93.07036	28.0
95.04960	5.5
95.08601	59.9
97.02879	30.9
97.06520	7.4
97.10168	30.1
98.97533	2.1
99.04444	9.4
99.08073	6.9
101.02374	2.6
103.03921	4.8
105.07008	12.6
107.08593	19.8
109.02888	16.6
109.06480	2.6
109.10146	33.6
111.04448	12.3
111.08054	5.7
111.11732	10.4
115.03994	3.4
117.05499	3.0
119.04912	2.2
119.08546	17.2
121.06513	2.2
121.10142	29.6
123.08064	2.3
123.11685	14.6
125.09633	4.4
127.03911	27.7
129.05470	6.5
131.04868	2.8
133.10159	12.6
135.04393	4.3
135.11670	26.9
137.05963	9.7
137.09566	4.7
137.13248	7.7
139.11201	4.7
145.02859	2.3
145.04956	9.5
147.04407	4.7
147.11682	10.7
149.13245	11.2
151.07524	2.6
151.11168	4.4
151.14809	3.9
153.12759	4.8
155.10564	3.4
161.13245	10.8
163.03903	22.5
163.07486	2.7
163.14897	4.6
165.05428	2.5
165.12714	6.3
167.07097	5.2
167.12132	2.3
171.13782	2.6
173.01355	2.1
175.14780	4.7
177.08925	1.9
179.14221	3.0
181.04892	2.1
183.06575	5.6
191.17947	2.3
193.19508	2.6
201.07602	3.3
217.19490	25.2
219.01772	4.1
235.20581	33.6
237.02696	3.4
253.21666	17.5
267.69376	2.3
291.23407	3.9
291.26822	8.6
309.24194	20.0
327.25281	95.0
345.26355	51.1
359.08044	2.2
402.91577	2.2
453.28519	2.4
471.29761	9.7
507.31564	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	507.2014
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.8
55.01858	1.0
55.05497	3.1
55.53163	0.7
56.96563	0.9
60.52552	0.9
65.03929	2.7
67.05506	7.1
69.03429	2.2
69.07066	4.2
71.04980	1.4
71.59245	1.8
79.05486	4.2
81.03416	2.2
81.07053	9.6
83.04981	2.2
83.08617	2.0
85.02910	3.1
85.06542	2.6
91.05484	26.1
93.07054	4.3
94.04199	2.5
95.04990	4.2
95.08611	12.6
97.02895	1.3
99.08090	1.7
103.05440	2.2
105.07026	2.3
107.04967	3.2
107.08599	4.6
109.02887	1.9
109.06501	2.3
109.10135	7.3
111.04444	1.3
111.08125	1.0
113.05962	1.3
115.05448	1.1
117.07024	1.5
117.81879	0.8
119.04937	14.4
119.08567	4.4
121.06487	1.9
121.10144	5.1
122.03638	2.8
122.07265	0.9
123.04433	2.7
123.08062	3.1
123.11703	2.8
124.05231	0.9
125.09644	1.1
127.03935	2.0
128.06201	1.0
129.07019	1.6
131.04929	1.8
131.08511	1.6
133.02849	1.1
133.06471	1.4
133.10129	1.9
135.04427	2.4
135.08040	1.5
135.11719	2.3
136.05188	1.6
137.05977	50.1
137.09596	12.1
137.13235	1.9
141.09082	2.3
144.05618	0.9
145.02847	0.9
145.06488	2.4
145.10135	1.4
147.04420	3.2
147.07983	1.5
147.11659	1.6
149.05998	10.9
149.09613	1.8
149.13283	1.9
151.03902	2.1
151.07536	49.4
153.05424	1.5
157.06555	1.1
159.08089	1.9
160.05229	1.3
161.06052	2.0
162.06636	1.0
163.03897	4.7
163.07460	1.3
165.09111	100.0
167.07072	3.1
167.10684	1.2
173.06049	1.1
175.07536	4.8
177.05492	1.9
177.09126	1.1
177.16330	1.0
179.03357	6.9
179.06973	1.7
180.07986	1.1
181.04970	3.9
184.05263	1.2
187.07553	3.1
187.09589	1.7
189.09122	1.5
195.17438	1.2
199.07533	26.7
199.09387	1.6
203.08690	1.5
203.10643	1.0
205.08546	1.4
205.12238	2.3
211.07535	3.4
213.09319	1.2
213.18459	2.7
215.13988	0.9
220.08932	1.0
221.06090	1.2
222.06624	1.0
227.02309	1.0
229.05032	1.0
229.08531	1.4
231.08089	2.0
232.08780	1.3
233.08119	2.5
235.07518	0.9
241.08679	1.3
248.08434	3.1
249.09077	1.6
253.08601	1.2
259.09720	7.6
260.08246	1.4
263.06927	1.0
263.10764	3.0
265.08704	1.0
267.10309	1.0
275.10504	1.3
276.07816	2.0
277.08597	4.1
278.09277	1.6
290.09348	1.4
291.10138	12.8
291.26840	2.2
292.11038	1.2
293.07877	1.1
294.08960	1.2
297.11380	1.9
303.10077	2.7
305.08176	1.6
305.11765	3.5
306.08820	2.4
307.09732	3.8
309.11130	2.6
309.27820	1.3
315.10110	1.7
319.22705	1.2
320.10440	2.4
321.11234	9.4
323.12796	13.6
327.95343	0.9
331.60120	1.3
335.12820	12.5
337.14310	1.3
341.14081	1.0
347.12698	3.0
351.12277	3.5
352.12958	2.3
356.60498	1.1
365.13876	3.2
383.14883	1.5
394.03009	0.9
418.14206	7.9
419.14859	1.1
431.14816	1.6
459.18085	9.5
471.18097	3.4
489.18918	7.6
489.32242	1.3
507.20053	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	507.2718
Annotation	Amoritin
Peak:m/z	Relative Intensity
53.03930	1.5
55.05308	0.7
55.05510	7.8
57.03437	8.0
57.07066	1.1
65.03921	1.3
66.24976	0.7
67.05502	27.9
67.21376	0.8
69.07076	7.4
70.80035	3.1
70.82137	0.7
72.98344	0.7
79.05056	1.3
79.05491	15.4
81.06578	1.8
81.07051	29.5
83.04944	1.5
83.08607	2.5
91.05470	7.1
93.07034	16.6
95.04958	2.0
95.08604	21.8
97.02879	0.8
97.06504	1.3
97.10126	1.3
98.97863	1.7
98.98467	22.9
105.07047	4.0
107.08595	9.4
109.10153	7.7
116.09152	0.8
116.34792	1.0
117.07025	1.4
119.08572	4.7
121.10139	6.6
123.11684	3.6
131.08522	4.2
133.10121	2.2
135.11717	5.0
137.13181	1.2
144.08640	0.9
145.10075	2.0
147.11710	2.5
149.13254	2.4
155.00992	2.4
159.11761	1.0
161.13335	0.9
163.14894	1.3
173.02115	5.2
173.13335	1.3
187.14725	1.0
191.10088	0.8
243.21069	1.5
247.05663	1.5
261.22147	2.8
275.45718	0.9
289.14481	0.9
294.60645	0.9
315.54892	0.8
317.24756	1.8
323.11951	1.0
335.25790	100.0
336.26172	2.2
489.36008	1.0
507.27219	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	507.1498
Annotation	Dracunculifoside C
Peak:m/z	Relative Intensity
51.77306	0.5
53.03928	1.0
54.05713	0.5
57.01719	0.5
59.46986	0.6
63.61338	0.5
65.03931	0.7
67.05500	0.7
68.99790	0.6
69.03428	3.4
70.06527	0.5
71.16283	1.1
72.68571	0.5
79.05486	2.3
81.03421	1.5
85.02893	3.3
86.85753	0.5
89.03911	4.4
91.05459	4.5
91.33620	0.6
93.07001	0.7
95.04949	1.4
97.02888	6.7
97.06503	0.8
98.97569	1.0
99.04427	0.6
103.05447	0.9
104.05854	0.6
107.04942	3.2
107.08568	0.7
109.02866	0.8
109.06520	0.9
110.03640	1.0
111.04429	2.1
117.03381	4.8
119.04872	0.9
121.06478	3.4
123.04425	5.2
125.05992	23.2
131.04927	1.4
133.02881	1.0
135.04410	14.1
137.04997	0.9
137.05972	11.6
139.03899	2.0
139.07610	0.7
140.92816	0.7
145.02841	9.4
145.04863	0.7
149.05975	1.4
151.03911	7.7
152.04680	7.7
153.05460	34.8
162.60254	0.6
163.03900	100.0
164.04227	1.5
165.05478	7.0
167.07037	28.9
173.02846	1.1
173.05943	0.6
181.04968	2.0
182.03287	0.5
183.06525	49.2
184.07159	0.9
204.62828	0.5
205.68864	0.7
206.54509	0.6
219.01775	0.9
250.06076	1.2
250.56134	1.3
267.78470	0.5
283.82495	0.6
307.08139	1.5
325.09192	8.6
328.07608	0.5
340.08023	0.6
340.58261	1.9
341.08365	0.9
461.16718	0.5
507.14688	0.9
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	Dracunculifoside C
Peak:m/z	Relative Intensity
52.03186	0.4
52.81850	0.4
53.03954	1.2
55.01880	0.5
57.03431	0.7
65.03951	1.4
67.03879	0.5
67.05511	0.8
68.99793	0.5
69.03432	2.7
69.81292	3.2
70.09678	0.5
71.04996	1.1
79.05502	2.2
81.03426	1.6
81.07057	1.1
82.04230	0.6
84.08170	0.5
85.02912	2.0
86.09715	0.6
88.06931	0.5
89.03902	4.4
91.05480	11.7
93.03416	0.5
93.07056	1.1
95.04964	2.0
97.02898	2.8
97.06498	0.5
99.04462	0.5
107.04955	3.4
109.02892	0.7
109.06534	0.8
110.03661	0.7
111.04433	3.9
111.08082	1.0
117.03375	4.9
119.04939	3.6
121.02922	0.7
121.06498	11.8
123.04424	3.2
124.05222	0.8
125.05988	15.0
127.03965	0.6
131.04929	0.6
133.02817	0.8
135.04416	15.2
137.05974	6.6
139.03917	4.2
139.07562	1.5
140.46085	0.4
145.02843	10.2
149.05981	5.8
151.03920	4.7
152.04688	24.3
153.05472	19.0
161.06075	0.6
163.03905	75.9
164.04214	1.6
165.05478	4.6
166.05057	0.6
167.07039	100.0
177.16438	0.7
181.04953	1.1
182.04434	0.7
183.06529	29.5
307.07944	0.6
325.09125	6.6
507.14444	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	506.3246
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93233	0.2
51.19639	0.1
52.23806	0.2
55.05508	0.4
56.05043	0.5
58.06356	0.3
58.06638	0.5
60.08166	6.2
60.09206	0.2
66.54220	0.1
67.05514	0.8
69.07063	0.4
69.47827	1.6
71.07376	2.4
76.82782	0.2
81.07049	0.7
86.09707	29.8
87.10049	0.2
91.05499	0.3
92.62747	0.2
93.07031	0.2
93.19482	0.1
95.08611	0.5
98.98463	3.3
104.10741	2.9
109.10196	0.2
123.11640	0.2
125.00007	20.2
143.01073	0.4
184.07343	100.0
203.48048	0.2
258.10944	0.3
323.25766	0.4
457.02472	0.2
488.31662	1.3
506.25342	0.2
506.32468	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	507.1134
Annotation	Quercetin 3-(6''-acetylgalactoside)
Peak:m/z	Relative Intensity
53.03936	2.6
55.01858	1.0
55.05508	2.7
57.03420	1.1
57.07060	1.2
61.02911	1.4
61.34639	0.4
65.03928	0.7
66.81836	0.4
67.05502	4.6
68.99798	0.4
69.03081	0.5
69.03426	9.4
69.07066	5.2
71.04988	1.0
71.08611	0.5
71.59248	0.6
73.02906	1.3
79.05478	2.4
79.26011	0.4
81.03416	12.5
81.07053	16.8
83.04977	0.6
83.08618	2.7
84.62127	0.4
85.02901	9.1
85.06531	4.4
86.64217	0.4
87.51659	0.4
89.03900	0.5
91.05477	1.2
93.07034	5.5
93.25462	0.3
95.05007	0.6
95.08605	15.4
97.02892	5.7
97.06447	0.4
97.10157	2.2
99.04464	2.3
99.08083	5.4
105.07016	1.4
107.04967	0.4
107.08590	6.9
109.02880	7.9
109.10151	9.7
111.00766	0.9
111.08082	1.1
111.11706	1.2
113.09646	1.4
117.03350	0.4
119.08566	1.8
121.02859	0.7
121.10129	4.4
123.11704	6.8
125.09631	1.3
127.03912	7.7
127.11186	1.1
131.04939	0.8
133.10114	1.5
135.04396	1.1
135.11674	4.4
137.02336	2.5
137.05952	1.7
137.13269	2.5
139.11125	0.6
145.02866	0.7
145.04956	2.5
147.11685	1.1
149.13257	7.4
151.14793	1.0
152.04770	0.5
153.01817	2.8
159.11794	0.6
161.05942	0.4
161.13254	1.4
163.03914	5.0
163.07565	0.5
163.14835	5.2
165.01811	1.6
165.16405	0.7
167.07025	2.6
167.14389	0.7
175.14815	0.7
177.16351	2.8
179.17917	0.6
181.15933	0.5
183.06543	0.9
187.06017	8.4
187.07654	0.6
189.16367	0.9
191.17943	1.4
193.19382	0.4
195.02806	0.5
195.17447	0.9
197.18982	0.9
201.05479	2.1
203.17914	1.4
205.04953	0.4
205.07121	0.5
205.19536	0.5
209.18945	0.9
211.20607	0.4
217.19583	1.5
229.04968	3.7
235.20564	0.9
247.06046	0.6
247.24303	0.9
257.02042	0.4
257.04416	2.3
265.25198	0.6
273.25763	4.5
274.04776	0.6
279.26752	0.9
285.03928	1.0
291.26807	10.7
303.04980	100.0
304.05249	0.9
309.27789	4.5
327.28909	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00287	2.2
57.03436	21.4
58.06602	8.6
59.03751	4.3
59.04990	3.4
60.04526	19.3
60.71913	2.1
61.02926	7.5
69.03430	25.0
70.06598	3.2
70.10653	7.6
71.01364	6.4
71.04989	20.7
71.88917	2.3
73.02917	31.4
74.06079	4.5
75.05612	11.8
76.04003	100.0
76.04444	4.9
76.07645	40.4
81.03436	8.1
83.04980	3.9
84.04517	4.2
85.02906	56.8
86.03246	3.3
86.06044	2.9
87.04465	4.8
91.05494	11.2
93.07044	3.2
95.04979	4.0
97.02894	30.9
97.39540	2.3
98.21408	3.1
99.04518	3.5
107.04951	13.8
109.02902	6.4
111.04482	4.0
115.03926	24.3
115.20261	2.4
119.04946	14.9
121.06486	4.7
123.04430	4.9
123.25407	2.5
127.03898	16.8
129.05496	9.5
133.04979	6.9
133.06503	4.7
134.06058	3.1
135.04395	7.6
136.07565	4.3
137.05966	20.9
145.04990	15.8
145.06107	2.9
147.04440	6.6
147.06596	4.9
148.07651	3.5
149.06015	3.7
151.07579	9.6
152.07048	5.9
153.05464	3.3
155.00871	2.6
161.06006	8.7
162.09160	8.5
163.03934	9.7
163.06068	3.3
163.07541	7.8
173.04533	2.6
173.05981	4.0
176.07007	2.7
176.09258	3.2
177.05470	4.6
178.08673	7.1
180.10194	5.0
181.05037	7.5
181.08604	2.6
190.10724	3.7
194.08142	10.9
194.11792	4.0
195.06618	3.3
196.09697	6.5
198.07597	11.9
198.11259	3.1
203.07069	3.4
212.09224	8.4
223.06013	2.7
231.04259	2.5
241.07121	4.1
259.08340	5.1
263.09305	4.3
279.03772	2.5
281.10049	4.0
295.10226	3.9
332.09457	13.3
332.59592	4.3
342.15695	2.4
360.16040	3.4
402.86658	2.7
506.17676	2.6
506.22180	4.5
533.57568	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	506.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36415	2.3
55.01868	4.3
55.05485	2.2
57.03427	11.0
58.06582	5.0
69.03419	7.0
69.27797	19.3
69.28220	11.9
71.04991	77.7
73.02932	3.4
75.04470	5.6
83.04971	7.4
85.02904	100.0
86.09703	5.1
87.04463	3.0
91.05468	3.7
95.04934	3.2
97.02884	5.9
98.21525	4.8
103.05477	3.0
107.04951	4.3
110.51050	2.1
111.04466	5.5
121.06489	7.5
123.04416	5.6
127.03928	4.8
129.05478	46.7
131.04912	4.7
135.04387	4.3
137.05974	17.0
138.06331	3.8
140.04689	7.1
147.04431	3.5
147.06506	20.6
149.05957	4.9
153.05441	3.8
163.03908	25.2
163.05977	2.8
163.07497	4.9
164.09210	4.1
165.20238	2.4
167.07004	2.5
175.07578	2.9
181.08609	30.7
200.79170	2.4
205.08562	4.1
237.79039	2.6
247.09599	5.7
260.57941	2.7
506.18124	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	1.2
57.03436	11.2
58.06608	0.7
59.04985	2.6
60.04509	2.6
61.02935	1.2
67.05496	1.2
69.03427	43.6
69.23840	0.6
70.06609	0.7
70.13323	2.6
73.02923	3.0
73.03254	0.5
75.04475	1.6
79.05492	1.0
81.03395	1.9
81.07044	1.8
83.04965	0.6
84.04488	1.6
85.02902	32.3
87.04463	30.2
90.77326	0.5
91.05466	2.5
94.82576	0.6
95.04949	0.7
95.08571	1.5
96.04468	0.8
97.02888	34.6
97.06510	0.6
98.06016	0.7
99.04458	1.3
101.10883	0.6
103.05473	7.2
105.07057	2.8
107.04951	11.2
107.08566	1.1
109.02855	1.6
109.10154	1.7
111.04423	1.7
115.03928	42.7
115.05287	1.1
117.07000	0.7
119.08537	0.8
120.05656	0.8
121.06544	0.8
123.04481	0.9
124.05226	0.8
126.05471	1.2
127.03905	3.7
131.04913	2.1
133.04962	37.9
135.08058	8.4
137.05984	2.1
139.02899	0.6
139.03915	3.3
144.06543	2.6
145.04919	3.2
145.06480	1.0
147.04459	0.9
147.08020	1.1
148.05237	0.7
150.07603	5.2
154.06244	41.4
159.08038	1.2
161.05952	0.8
162.07574	2.7
163.03903	1.1
163.06146	2.2
163.07538	37.3
165.05444	0.7
165.09137	2.3
167.07043	2.7
169.04973	0.9
173.05942	0.8
175.07524	1.5
180.07587	0.8
180.08853	1.5
183.06474	0.7
185.09592	1.0
187.07556	0.9
195.10167	100.0
196.10454	0.7
207.10155	6.6
213.09079	1.6
217.08588	1.6
219.10139	1.9
227.61528	0.6
229.06992	0.8
235.09613	0.8
237.11160	1.2
241.06950	1.5
245.11783	1.6
259.08105	1.7
261.11139	0.8
273.11197	2.7
277.09088	1.3
291.12253	4.9
294.11850	1.2
308.26257	0.6
309.13275	1.3
312.13052	0.8
363.24701	0.7
494.45547	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.223
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.6
54.85051	0.3
55.01874	1.4
55.05505	1.7
56.38351	0.4
57.03148	0.5
57.03436	10.9
58.06595	0.9
59.04984	0.5
61.02924	0.9
67.05478	0.4
69.03432	2.2
69.78049	2.6
71.01357	0.9
71.04990	78.0
73.02912	2.1
75.04473	4.4
79.05504	0.7
81.03400	1.1
83.04978	6.5
85.02902	100.0
86.06064	0.6
87.04463	2.0
91.05473	1.3
93.07040	1.3
95.04965	0.5
97.02888	3.4
99.04451	1.9
101.05997	0.5
103.03960	1.0
103.05453	1.4
105.07009	0.7
107.04945	1.5
107.08588	0.6
109.02875	0.7
111.04443	4.9
117.03378	0.5
121.06486	5.3
123.04444	0.5
125.02305	0.6
125.05914	0.5
127.03925	3.5
129.05476	44.2
131.04922	0.6
131.08595	3.2
135.04390	1.2
135.08067	0.4
136.75797	0.4
136.77031	0.4
137.05956	0.6
139.03845	0.4
140.04688	6.2
144.50162	0.4
145.02835	0.6
145.04947	3.2
145.06488	0.7
145.10112	0.9
146.08131	1.0
147.06512	22.7
149.05963	4.3
149.09631	1.1
151.03857	0.7
153.05479	3.8
163.03911	5.7
163.05995	1.4
163.07433	0.5
164.09215	3.0
165.05469	0.6
165.07562	0.7
167.07007	2.8
173.05913	0.5
181.08585	25.5
183.06473	1.6
187.95940	0.4
205.08612	2.9
205.12080	0.7
217.08591	0.8
223.13254	2.9
229.08716	0.5
232.07257	0.5
247.09651	6.5
247.81226	0.4
255.08517	1.8
273.09613	0.7
276.81958	0.6
303.04910	0.6
309.11417	0.4
328.12750	0.4
340.09091	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.4
57.03436	9.8
58.02954	2.1
58.06589	3.4
59.03740	2.5
59.04964	1.2
59.06120	1.1
60.04522	26.7
61.02913	3.4
66.48113	1.0
69.03421	8.7
71.01351	1.3
71.04984	2.8
71.43378	2.2
73.02512	1.1
73.02917	18.0
74.06043	1.6
75.05606	8.7
76.04000	53.6
76.07234	2.0
76.07639	25.0
81.03392	1.4
83.04961	1.1
84.04504	1.7
85.02431	2.1
85.02901	26.5
87.04470	1.3
91.05465	8.6
95.04954	1.9
97.02877	15.8
97.60723	1.1
99.04462	1.6
102.01393	1.0
102.05566	1.3
107.04961	10.4
109.02859	3.0
113.02351	1.0
115.03908	9.7
119.04942	16.9
121.06491	3.1
123.04433	5.5
127.03891	8.7
129.05473	1.4
131.04921	2.0
133.04980	2.5
133.06480	1.7
134.06033	2.3
135.04442	2.2
137.06001	1.4
145.04948	8.2
147.04401	100.0
148.07555	5.3
149.05984	2.7
150.09331	1.1
151.03949	1.6
152.07005	2.9
153.05472	2.3
161.05942	2.4
163.03891	1.6
163.06046	2.5
163.07397	1.2
165.05464	50.0
167.07071	2.6
169.42986	1.2
174.07597	1.5
176.07076	4.5
176.09138	1.3
177.05429	2.4
178.08588	2.7
180.08719	1.7
180.10167	1.4
192.07703	2.3
194.08142	16.0
195.06537	2.8
196.09663	2.4
197.09819	0.9
204.08620	1.8
208.08215	1.2
212.09157	11.8
221.08044	2.2
231.06529	2.7
241.07086	1.3
251.09007	1.6
295.10303	1.8
344.13403	1.7
356.13370	4.8
374.14432	1.6
385.11417	6.3
395.41290	1.1
506.18243	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	505.3372
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.8
55.01860	2.1
55.05507	19.0
57.03417	3.7
57.07074	11.3
59.35710	1.7
61.02908	2.3
67.05500	33.0
69.03423	5.3
69.06714	3.6
69.07066	42.3
69.96011	4.4
69.96425	7.9
70.06585	2.5
71.04984	7.6
71.08622	2.7
79.05485	21.1
81.03429	5.8
81.07054	100.0
83.04981	11.1
83.08620	16.9
85.02904	19.0
85.06540	24.8
91.05463	20.9
91.52760	1.8
93.07047	47.2
95.04972	7.5
95.08604	81.7
97.02883	5.5
97.06518	7.5
97.10174	7.8
99.08086	12.8
105.07028	37.0
107.08590	45.6
109.02933	2.1
109.06507	4.8
109.10151	47.8
111.08083	4.0
111.11725	6.5
113.06020	5.7
113.09629	7.0
115.05437	2.3
117.07064	3.8
119.08576	21.8
121.10145	34.6
123.04436	2.5
123.08080	4.7
123.11710	23.3
125.09653	5.9
127.03941	4.0
131.04948	2.9
131.08562	6.3
133.06480	2.2
133.10136	20.2
135.04437	1.9
135.08063	4.0
135.11684	25.8
137.05981	22.6
137.09595	4.7
137.13242	9.1
139.11182	7.2
145.02832	3.0
145.04845	2.1
145.10135	10.1
147.04382	4.6
147.11693	26.4
149.09624	2.8
149.13252	22.2
151.07550	6.7
151.11145	2.9
151.14828	4.7
151.41486	2.2
153.12756	6.3
159.11687	15.6
161.06007	4.5
161.13249	13.4
161.54742	2.0
163.03848	11.2
163.14803	16.9
165.12796	5.7
167.07037	12.2
167.14447	1.9
173.13272	6.2
175.07532	2.2
175.14813	12.4
177.16383	8.8
179.14319	4.2
181.15831	2.1
187.14856	5.5
188.48592	2.0
189.16397	6.7
191.17928	5.2
193.08583	11.4
193.15994	2.8
201.16460	3.5
203.17940	2.3
205.19667	2.7
207.17531	2.5
211.16934	5.9
215.17932	4.1
217.19527	2.0
250.09956	2.2
271.24274	10.0
277.25235	11.8
287.05444	7.5
289.25235	34.0
289.28314	2.5
293.11749	4.7
295.26276	8.4
297.50748	1.9
307.26288	31.1
325.14279	9.8
325.27350	12.6
343.28430	8.7
350.15253	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2561
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25061	0.8
53.03951	1.8
55.01867	3.3
55.05508	6.4
57.03437	8.7
65.03939	2.4
67.05506	34.7
67.05872	1.9
67.63330	0.7
69.07074	5.1
70.04128	4.6
71.04990	1.6
73.02929	1.5
79.05492	20.2
81.06581	1.7
81.07058	30.5
83.08625	1.4
91.05477	14.7
93.07047	22.0
94.37819	0.9
95.04987	3.2
95.08604	20.7
95.29076	0.9
98.98470	29.9
99.50892	0.7
103.03938	1.3
105.07027	7.8
107.05016	0.9
107.08589	14.8
109.10154	10.7
116.99488	1.3
119.08587	7.3
121.06551	1.3
121.10143	7.2
123.08059	1.0
123.11678	2.4
129.05453	11.8
131.08562	3.5
133.10133	4.3
135.11716	5.2
145.10156	3.3
147.08128	0.9
147.11713	3.2
149.13252	2.1
153.12791	1.7
154.60056	0.8
155.01045	6.3
159.11636	1.1
161.13303	3.2
171.11760	1.6
173.02106	6.5
173.13199	1.5
175.14798	1.8
177.12930	0.8
185.13409	0.9
214.46394	1.0
215.17871	1.0
217.19514	1.7
229.04816	1.2
241.19542	4.0
259.20514	6.5
315.23221	1.3
320.02588	0.8
333.24234	100.0
407.30557	0.9
469.23038	1.1
505.25604	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3365
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29583	3.1
55.05505	13.1
57.03442	6.1
57.07062	7.4
59.04945	3.7
65.94257	3.1
67.05501	27.1
67.11942	3.2
69.03413	9.7
69.07063	26.8
70.06586	4.0
71.18352	9.8
79.05488	18.7
81.03422	4.3
81.06577	6.0
81.07059	100.0
83.04973	5.7
83.08627	10.5
85.02896	21.4
85.06555	21.7
90.01875	3.4
91.05502	19.7
93.07051	50.2
95.04971	4.0
95.08604	75.9
95.09165	6.6
97.02901	6.2
97.06538	10.8
97.10176	8.9
99.08102	11.7
103.05423	4.0
105.07032	32.0
106.06573	6.2
107.05001	3.6
107.08596	38.5
109.02831	4.1
109.06519	6.5
109.10159	55.9
111.08092	6.7
111.11699	9.5
117.07038	3.4
119.08579	31.8
121.10156	31.5
123.08049	5.9
123.11719	26.0
125.09631	6.8
125.13311	3.9
127.03841	5.3
127.11230	5.2
131.04913	8.8
131.08597	9.9
133.10115	20.7
135.04401	3.7
135.11670	31.3
137.05968	15.4
137.13249	8.4
139.11200	6.9
145.10132	11.6
146.35806	4.0
147.04425	6.2
147.11694	19.3
149.13254	25.5
151.11119	4.0
151.14871	3.8
159.11687	11.2
161.05984	4.7
161.13229	13.7
163.03929	8.7
163.14813	8.7
165.12735	7.5
173.13245	8.6
175.14819	14.7
177.16492	6.2
187.14830	6.6
189.16426	8.2
193.15903	12.5
201.16417	5.4
207.06386	4.1
207.17497	4.1
211.16888	8.4
215.18011	6.6
225.18500	8.2
231.21028	4.1
233.19109	3.9
271.24246	16.9
277.25366	6.3
289.25278	44.1
295.26321	5.4
307.26312	21.7
325.09595	3.6
325.27377	9.9
397.82458	3.9
497.24216	4.0
505.25302	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	504.2807
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.2
55.01875	2.0
55.05514	5.8
57.03439	1.3
57.07069	3.0
59.05014	1.0
61.02917	1.4
65.03932	1.2
67.05507	16.4
69.03438	5.7
69.07073	15.4
71.04987	1.9
71.08629	1.7
71.61028	0.7
71.61422	1.0
73.02914	1.3
79.05496	14.7
81.03418	4.1
81.07059	35.7
82.06605	0.9
83.08619	5.8
85.02424	1.3
85.02910	15.4
87.00841	4.1
91.05476	22.3
93.07042	17.1
95.04968	2.0
95.08606	36.7
97.02890	8.3
97.06512	6.5
97.10179	7.6
99.04439	2.3
103.05472	0.7
105.01871	11.9
105.07031	37.5
107.08601	16.3
108.04530	1.2
109.02872	3.6
109.06529	1.4
109.10152	31.0
111.08067	1.2
111.11734	3.0
117.07021	1.3
119.08586	24.2
121.10137	13.0
123.11707	12.8
127.03918	12.9
129.06989	0.9
131.04948	1.8
131.08517	1.1
133.10133	25.5
135.11717	4.2
137.05975	4.5
137.09636	5.5
137.13261	8.4
145.04971	8.6
145.10136	2.4
147.11687	57.2
149.13280	1.6
151.11209	1.7
154.08620	2.3
159.02905	3.3
161.06027	1.0
161.13271	10.1
162.06783	1.1
163.03891	3.2
163.14766	1.7
165.12773	10.9
167.07063	1.5
175.14818	5.6
177.05479	1.2
193.19551	2.2
203.17957	100.0
204.18321	1.8
219.08308	0.9
221.19002	61.7
221.86751	0.8
231.04958	6.8
238.21655	1.4
248.07559	1.7
249.06093	4.3
255.06419	1.2
284.09735	13.3
312.24286	0.8
428.71182	1.1
504.16135	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.3085
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.2
55.05515	0.2
56.05036	0.5
56.96521	0.2
57.03436	0.2
58.06596	0.2
59.07387	0.2
60.08161	6.1
67.05501	0.8
69.07050	0.3
69.81283	0.1
69.94524	0.8
71.07368	2.8
79.05487	0.6
81.07068	0.9
82.39661	0.2
86.09701	28.2
91.05481	0.7
93.07059	1.2
95.08588	0.5
98.98460	3.5
104.10736	2.6
105.07036	0.3
107.08579	1.0
109.10165	0.3
119.04919	0.7
119.08624	0.2
121.10194	0.2
123.08056	0.2
123.11652	0.2
124.99998	20.0
135.11653	0.4
143.01025	0.3
147.04391	2.2
148.04741	0.3
152.42490	0.2
179.14330	0.2
184.07330	100.0
185.07680	0.5
258.10999	0.3
332.26620	0.5
406.30093	0.5
486.29810	1.3
504.19016	0.2
504.30872	3.0
507.74640	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.2804
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24661	0.9
51.33443	0.8
53.03937	3.7
55.01873	4.4
55.05508	1.9
57.03451	4.2
61.02917	3.4
67.05503	3.3
68.99787	2.0
69.03076	1.7
69.03426	23.6
69.07056	3.2
70.64199	1.0
71.01348	0.9
71.04982	3.5
71.58239	2.2
71.58576	1.0
73.02897	2.5
79.01213	0.9
79.05480	2.8
80.33680	0.9
81.03411	16.4
81.07054	20.4
83.08622	2.9
85.02900	72.3
87.00825	30.9
87.04462	1.2
91.05482	2.7
93.07047	3.7
95.05005	1.0
95.08604	10.8
97.02887	28.0
98.86916	0.8
99.04447	9.1
102.51630	0.9
105.01861	61.0
105.07021	12.7
107.08602	5.4
109.02880	21.0
109.10179	5.3
111.04478	0.9
117.01884	1.8
119.08575	9.8
121.10152	4.1
123.02854	1.1
123.11722	2.1
127.03912	55.1
129.01793	2.2
131.08594	1.4
133.10123	9.3
135.11678	3.5
137.06001	1.7
137.28896	0.9
145.04961	20.3
145.10129	2.8
147.02956	1.3
147.04414	1.3
147.11681	28.6
151.45906	0.8
159.02928	7.5
159.11687	1.5
160.12485	2.4
161.13243	7.8
163.03868	1.0
175.14960	1.1
189.03931	1.0
190.96330	0.9
192.46107	1.0
201.16463	1.5
203.17947	100.0
204.18303	2.1
213.03951	4.6
220.17261	0.8
221.18996	30.1
231.05008	22.5
247.25076	0.9
249.06052	10.7
261.06171	2.0
262.21680	1.0
332.26636	1.2
418.76672	1.0
433.22559	1.7
451.23438	6.3
529.69257	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.2803
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25841	0.7
55.01838	0.9
55.05497	1.8
57.03413	1.0
59.31293	0.7
61.02914	1.4
62.15754	0.6
62.37826	0.6
64.40091	0.7
67.05510	4.7
69.03430	4.5
69.07070	4.2
69.84891	4.4
71.04977	1.6
73.02879	0.9
79.05470	1.9
81.03419	3.4
81.07052	17.3
83.08600	1.5
85.02903	13.7
85.83256	0.7
86.33027	0.7
87.00832	5.5
91.05469	2.6
93.07038	6.4
95.08604	37.2
97.02894	7.7
97.06504	0.7
99.04442	2.3
105.01181	1.0
105.01864	14.3
105.07025	28.8
107.08589	6.8
109.02885	3.9
109.09577	0.8
109.10162	9.1
119.08578	43.8
121.10146	5.1
123.11715	4.5
127.03912	12.8
132.56506	0.7
133.10127	15.4
135.11673	2.8
145.04944	7.5
145.10071	1.4
147.11682	34.9
159.02905	2.2
159.11700	0.8
160.12482	0.7
161.13248	8.1
163.14824	5.2
175.14812	2.0
177.16322	1.0
187.12616	0.7
203.17949	100.0
204.18187	1.8
221.18983	9.0
231.05011	3.9
249.06044	3.7
382.67606	0.8
442.49139	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05023	4.6
57.03437	8.7
58.06592	1.0
60.04507	2.9
61.02914	1.3
69.03434	8.0
71.04990	52.2
71.21880	1.2
71.22199	1.5
73.02902	5.2
74.06079	14.3
75.04469	4.2
79.05467	1.5
81.03410	3.2
81.07047	1.2
83.04996	6.6
84.04484	2.7
85.02902	77.8
86.06049	2.8
87.04453	1.7
91.05435	5.9
95.04965	1.8
96.34200	1.0
97.02892	4.8
98.06052	2.0
98.97574	1.3
99.04432	4.1
100.07638	1.2
102.05525	2.4
103.05483	1.3
105.07011	1.6
107.04955	3.5
109.02874	1.8
109.06483	2.2
110.06017	1.6
111.04429	4.1
114.05484	1.4
115.03906	1.9
115.05424	2.0
116.98563	1.3
119.04919	2.5
123.04420	4.4
126.05453	2.6
127.03905	7.8
128.07059	1.2
129.05467	17.0
131.04927	1.6
132.08107	3.3
133.06464	1.6
135.04445	6.0
136.07585	1.7
137.05981	23.4
138.05434	1.2
142.08603	1.3
143.04951	1.4
144.06532	1.9
145.04961	2.9
147.06506	6.0
149.06049	1.6
151.07518	2.5
152.07062	2.4
152.16299	1.0
153.05466	4.9
160.07561	4.4
160.31709	1.0
161.05962	6.0
163.03830	1.8
163.06126	2.5
163.31197	1.0
166.08586	1.1
170.08153	1.2
170.78409	1.0
173.04427	1.4
173.37860	1.2
174.07581	1.2
178.08623	35.9
179.07027	33.0
180.10173	2.6
188.09158	7.6
190.10741	1.4
196.09677	100.0
204.08672	7.0
206.10260	2.5
210.11179	1.8
235.92290	1.1
237.02725	2.0
247.99265	1.0
341.11981	1.3
342.15411	3.2
350.14413	2.9
358.14951	36.8
504.20624	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	503.2769
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.2
55.01868	3.7
55.05515	10.2
57.03432	4.4
57.07062	3.4
67.05505	16.2
69.03438	1.5
69.07067	11.9
71.04995	2.1
71.08631	4.7
71.60331	1.2
75.04478	1.6
78.49281	0.9
79.05493	9.1
79.83546	0.8
81.07059	21.7
83.04970	2.3
83.08602	5.3
85.06533	2.0
91.05460	7.6
93.07040	14.4
95.04965	2.9
95.08604	17.9
96.08984	0.8
97.06522	3.4
97.10178	1.2
98.98467	78.0
99.08110	4.6
105.07026	8.0
107.08598	12.7
109.06522	16.5
109.10149	5.0
111.08092	1.6
116.99533	2.2
117.07030	1.5
119.08576	12.3
121.06492	1.4
121.10134	8.0
122.07298	0.9
123.08068	37.7
123.11689	3.0
129.07002	1.1
131.08548	4.6
133.10112	9.1
135.08044	20.3
135.11703	4.6
137.06001	0.9
137.09650	1.8
137.13261	1.8
143.08572	1.5
145.10103	6.9
147.04391	2.2
147.11685	6.2
149.09602	3.9
149.13295	2.5
151.11105	1.1
157.10164	2.4
159.11679	3.7
161.09656	3.0
161.13246	2.5
163.11256	1.6
165.12735	3.0
167.14363	1.6
171.11743	1.4
173.02139	9.4
173.13290	2.0
175.14856	4.4
177.12769	5.9
177.16377	1.0
179.14313	49.7
187.14833	1.4
191.01065	0.8
191.14265	1.9
193.12213	1.7
193.15887	2.0
201.16411	0.9
205.15950	6.9
233.18961	2.1
247.20599	2.5
263.20120	2.9
267.56372	0.9
275.20120	4.0
289.21570	5.3
289.24817	1.0
293.21176	2.2
303.26712	8.4
313.25217	1.3
319.22873	1.2
321.87897	0.9
331.26306	100.0
332.26724	1.5
347.25854	1.2
349.27399	13.1
375.28949	2.3
381.03931	0.9
387.28946	3.7
405.29987	60.1
406.30206	1.7
423.31107	2.9
440.03708	1.1
485.26648	4.7
503.27701	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	503.2772
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.7
55.01859	2.9
55.05500	7.2
56.96564	24.5
57.03416	3.6
57.07069	3.5
59.19395	2.1
67.05505	16.2
69.07063	10.3
69.07638	2.0
71.04984	2.5
71.08633	4.6
71.62318	1.8
79.05489	10.3
81.03429	2.0
81.07053	45.4
83.08623	5.8
91.05479	6.5
93.07037	12.9
95.04939	2.3
95.08610	25.0
97.06506	3.0
98.98459	64.1
99.08076	5.1
105.07024	8.2
107.08601	12.7
109.06528	14.0
109.10162	8.1
109.51806	1.7
111.08073	2.2
116.99503	2.7
119.08555	13.1
121.10133	7.5
123.08064	30.7
123.11684	3.1
131.08562	3.6
133.10112	10.7
135.08031	19.3
135.11696	5.2
137.09599	2.4
137.13235	6.7
139.11264	1.9
145.10130	5.3
147.07938	1.9
147.11691	5.2
149.09589	5.0
149.13248	2.4
157.10088	1.9
159.11707	5.2
161.13228	4.2
163.11147	2.3
165.12764	2.4
173.02077	10.8
175.14815	6.1
177.12772	5.2
179.14308	49.0
191.14308	2.4
193.12256	4.7
205.15874	7.8
209.01131	2.0
211.02719	4.2
213.04337	13.7
234.45363	1.8
236.05939	3.5
239.02264	24.3
257.03323	33.9
262.03851	5.9
263.20135	3.9
275.20151	5.1
280.04971	5.5
289.21689	3.6
293.21198	2.6
303.26886	10.1
319.22638	2.1
331.26294	100.0
332.26447	2.0
349.27432	16.1
351.08359	2.8
352.12982	1.9
353.13577	4.3
367.04819	11.0
369.11038	8.8
385.05771	17.3
387.28995	6.7
403.06921	13.7
405.29980	59.4
408.07587	7.1
423.31024	5.4
426.08432	4.9
456.81058	2.0
485.26447	5.1
503.21820	29.8
503.27850	21.8
503.36557	4.4
504.23749	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2096
Annotation	LY223982
Peak:m/z	Relative Intensity
57.03427	0.4
59.37799	0.2
67.14642	0.2
67.14981	0.2
69.03414	1.0
69.07062	0.4
69.10242	0.2
70.06589	0.4
71.13688	0.5
83.04972	0.2
85.02895	1.9
86.09695	0.6
87.04444	0.4
93.07086	0.3
95.08606	1.6
97.02873	0.7
97.06499	0.5
103.05489	0.3
105.06954	0.4
109.02890	0.3
109.10121	0.3
115.03934	0.6
119.08590	0.3
121.10129	0.5
127.03898	0.2
131.04897	0.3
131.08577	0.5
133.04985	0.2
133.06496	0.2
133.10130	6.1
137.05991	1.3
163.03894	0.4
163.07558	0.5
173.13226	1.4
175.07646	0.4
191.14326	1.3
200.76347	0.2
209.11601	0.3
209.15378	0.5
231.48141	0.3
306.10779	0.2
311.12885	0.4
323.12781	0.3
335.09485	0.5
371.16733	7.6
378.80096	0.3
503.20953	100.0
504.21265	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94345	0.7
53.03948	0.5
55.01855	1.2
57.03421	1.7
59.36043	0.6
59.91788	0.7
61.02920	2.3
63.60680	0.6
65.03925	0.6
69.03429	7.2
70.42348	0.6
71.04988	0.6
71.62421	0.7
73.02917	1.0
73.08638	0.6
75.53535	0.6
79.05480	1.5
81.03426	2.9
81.07062	1.4
85.02902	15.1
91.03902	0.9
91.05460	3.0
94.04180	2.2
95.04955	0.8
97.02898	5.8
97.37444	0.7
99.04447	1.1
103.05457	2.9
105.07030	3.6
107.04939	1.6
109.02891	1.6
109.06506	3.2
115.05444	2.5
117.03363	0.7
117.06987	1.0
119.08577	2.1
122.03627	7.0
123.04424	0.9
127.03902	3.2
128.06165	2.9
129.07021	1.4
131.04922	4.5
132.05701	2.0
133.06450	3.5
135.04398	0.8
137.05972	100.0
138.06325	1.0
141.06992	1.7
145.04932	1.6
145.06441	1.1
146.03610	1.2
147.04437	0.8
147.08110	3.1
149.05975	1.7
156.05649	0.7
159.08096	1.4
160.05180	2.0
161.05963	11.4
162.06760	0.8
163.03925	1.1
163.07527	7.4
167.07085	1.0
169.06483	0.8
171.08055	1.0
175.07539	38.2
176.07922	0.6
179.07040	1.0
184.05228	1.6
186.06747	0.8
187.07547	6.0
190.07799	1.5
191.08557	4.2
192.09300	0.7
199.07513	16.7
201.09036	1.7
202.07809	3.8
203.08554	8.7
204.09346	0.7
205.06544	1.0
215.06876	0.7
218.07251	1.4
219.08076	6.8
220.08847	2.0
231.08060	10.4
232.08861	2.1
235.07571	0.9
236.08354	1.0
247.07492	3.8
248.08311	5.2
249.09195	1.1
251.10640	7.1
259.07492	6.0
260.08286	2.4
261.09174	1.6
263.10654	5.3
264.07816	1.2
265.08685	1.4
275.06949	1.0
276.07693	3.1
277.08670	3.8
277.92899	0.7
279.10123	6.4
280.10870	0.9
291.10117	13.1
292.10809	5.1
293.08124	1.3
293.11209	0.9
295.13333	1.9
307.09534	0.7
308.10461	2.1
311.12759	18.9
314.68414	0.7
323.12772	22.4
325.14343	2.1
341.13995	0.9
503.20987	0.8
503.31473	0.7
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
52.13939	0.8
53.03938	1.0
56.39985	0.9
57.03416	2.7
61.02903	2.6
61.15398	0.8
63.68262	0.8
67.95922	0.9
69.03418	8.0
70.74816	1.1
70.75165	2.7
73.02916	1.0
79.05481	1.5
81.03410	2.6
85.02899	17.5
85.03414	1.0
91.03896	0.9
91.05465	2.8
94.04182	2.9
97.02852	4.6
99.04452	1.2
103.04851	0.9
103.05467	3.0
105.07036	4.1
109.02885	2.2
109.06503	2.5
115.05433	1.4
117.07043	0.9
119.08563	1.4
119.99379	0.8
122.03642	7.2
127.03891	3.2
128.06218	2.3
129.06967	2.2
131.04918	4.9
132.05702	2.5
133.06456	2.2
137.05972	100.0
141.06941	1.2
145.04944	2.5
145.06470	1.3
146.03593	1.2
147.08029	2.7
149.05923	1.0
159.08032	1.4
160.05234	2.1
161.05978	10.0
163.07538	8.5
172.05136	1.2
175.06021	2.1
175.07544	39.0
184.05006	0.9
187.07513	6.0
190.07756	1.5
191.08548	5.0
199.07550	13.4
201.09164	1.8
202.07748	2.6
203.08546	7.4
218.07317	1.5
219.08067	8.1
220.06314	0.8
220.08818	3.0
231.08054	8.9
232.08850	1.5
247.07558	4.5
248.08318	4.1
249.09264	1.2
251.10745	9.0
259.07608	7.2
260.08316	3.0
263.10620	5.2
265.08560	1.8
276.07767	2.9
277.08591	3.7
279.10168	7.4
291.10187	11.9
292.10919	3.9
293.07983	2.0
295.13245	2.9
308.10367	1.5
311.12762	22.9
315.09775	0.9
323.12756	22.4
325.14218	2.0
415.03064	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.4
55.01853	1.0
57.03431	2.0
58.53568	0.6
60.06955	0.6
61.02915	2.5
67.91895	0.6
69.03423	7.8
69.73836	4.8
70.06599	0.8
70.25837	0.7
71.04996	1.2
73.02917	1.0
78.04693	0.7
79.05469	2.5
80.82344	0.6
81.03407	2.6
81.07039	1.3
82.30354	0.6
85.02904	18.8
85.49778	0.7
86.09698	2.0
86.83946	0.6
87.04460	1.2
91.03936	1.0
91.05474	4.4
94.04168	2.2
97.02888	6.9
98.21468	1.4
99.04440	1.6
103.05449	3.5
105.07040	5.0
107.04948	1.8
109.02866	2.1
109.06520	1.8
115.05453	2.8
117.07012	1.6
119.08585	3.9
122.03640	7.2
127.03913	2.7
128.06212	2.2
128.07050	1.0
129.06964	1.6
131.04951	6.3
132.05713	3.6
133.06473	3.7
135.04460	0.7
137.05974	100.0
143.04901	0.9
144.05617	0.7
145.04919	1.1
145.06502	1.2
146.03679	0.9
147.04430	1.5
147.08052	4.8
149.05994	2.3
155.04892	1.5
156.05679	0.9
159.08066	1.8
160.05228	2.4
161.05984	13.2
163.03830	1.1
163.07532	12.1
171.08041	1.1
173.05928	1.4
175.07545	46.7
179.06985	0.9
184.05191	1.3
187.07553	7.7
190.07803	2.1
191.08540	5.4
199.07539	10.5
201.09132	1.4
202.07741	4.5
203.08548	7.3
205.06564	0.8
218.07259	1.5
219.08049	9.3
220.08810	2.7
230.07236	1.1
231.08046	9.8
232.08800	1.4
235.07556	0.8
236.08327	1.9
247.07590	4.8
248.08339	5.1
249.08995	1.0
251.10692	13.7
258.06839	1.2
259.07532	6.8
260.08212	3.1
261.09079	1.3
262.10162	0.8
263.10718	5.0
264.07837	1.7
265.08469	1.5
275.06976	0.9
276.07880	3.2
277.08624	3.1
279.10175	12.8
280.10971	1.1
281.07977	1.3
291.10138	14.7
292.10950	2.8
293.08255	1.4
295.13260	1.4
296.10519	1.7
308.10547	1.8
311.12762	27.1
315.10187	0.8
323.12772	29.4
324.12988	0.9
325.14285	2.2
335.09552	3.6
341.13617	1.0
417.36618	0.7
449.84811	0.6
453.21329	0.8
503.14410	1.0
503.21051	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	503.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17472	0.3
50.60497	0.3
51.49467	0.3
52.98936	0.4
55.01865	0.6
57.03424	0.5
61.02901	0.7
64.12292	0.3
65.03933	0.6
66.04754	0.4
69.03430	2.1
69.07095	0.4
71.09032	1.0
76.81618	0.3
79.05490	2.0
81.03403	0.9
81.07044	1.1
85.02906	5.7
86.09711	0.4
91.05473	3.9
93.07051	0.5
93.10707	0.3
94.04192	2.4
95.08582	0.4
97.02892	2.0
99.04417	0.5
103.05470	1.5
105.07027	5.3
107.04959	1.7
109.02879	0.8
109.06506	1.5
115.05461	3.5
117.07039	0.9
117.53577	0.4
119.04977	0.6
119.08572	2.3
121.06463	0.5
122.03643	7.3
127.03899	1.6
128.06229	1.5
129.06999	1.9
131.04941	1.8
131.08611	0.5
132.05692	1.3
133.06487	3.8
135.65918	0.4
137.05974	100.0
138.06319	1.0
141.06938	0.6
143.04945	0.6
144.05666	0.4
145.06543	0.9
146.03578	0.9
147.04422	1.4
147.08008	2.3
149.06001	1.6
151.07550	0.9
155.04893	0.9
156.05711	0.7
157.06477	0.5
159.08084	2.7
160.05194	1.6
161.05980	13.2
161.09648	0.5
163.03902	0.9
163.07568	1.0
165.06905	0.4
167.07063	0.9
171.08040	0.9
172.05202	1.5
175.07545	26.7
176.07903	0.4
179.07036	0.6
184.05098	0.7
185.05907	0.6
187.07535	10.2
189.06937	0.8
189.09045	0.5
190.07764	2.3
191.08549	7.4
192.09134	0.4
199.07526	8.5
202.07703	2.1
203.08528	4.6
205.06378	0.7
205.08487	0.5
207.07968	0.7
208.08772	1.0
211.32141	0.4
215.08597	0.4
217.08609	1.1
218.07199	2.1
219.08049	9.3
220.08839	2.2
221.09569	0.6
231.08047	6.2
232.08826	0.8
233.09616	0.6
235.07494	1.0
235.11131	0.4
236.08336	2.0
246.15012	0.4
246.65152	0.5
247.07544	4.9
248.08328	4.2
249.09091	1.0
251.10678	13.6
259.07541	4.1
260.08441	1.8
261.09106	1.4
262.09784	0.5
263.10669	3.2
264.07809	1.3
264.11539	0.3
265.08627	0.8
275.07019	0.5
276.07840	1.2
277.08673	2.0
279.10178	11.2
280.10828	1.0
281.08060	0.8
288.86850	0.4
291.10129	8.8
292.10898	2.5
293.07996	0.8
293.11356	0.4
295.13287	0.8
296.10434	1.0
299.06293	0.4
300.13446	0.4
306.41306	0.5
308.10400	1.1
309.11389	0.4
311.12766	26.8
312.13174	0.6
323.12781	15.8
328.26321	0.3
328.31384	0.4
338.14761	0.3
341.13815	1.4
503.19128	0.6
517.24292	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.3155
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63724	2.1
55.05491	3.7
57.03432	3.8
57.07062	9.6
57.09307	2.6
61.66631	2.5
67.05491	8.4
69.07059	6.1
71.00971	7.0
71.04978	2.1
71.08624	3.8
79.05477	6.8
81.07054	29.9
83.04963	4.2
83.08623	3.7
85.02908	3.2
85.06528	7.4
91.05470	21.5
93.07043	6.2
95.04948	2.8
95.08605	5.4
105.07030	8.7
107.08553	2.7
109.06496	4.0
109.10173	2.6
111.08063	8.4
117.07048	3.8
125.09634	2.3
127.07542	6.2
129.09085	2.4
131.08530	2.8
133.10132	100.0
137.13217	8.4
141.84206	2.8
145.08568	2.2
145.44894	2.3
147.08034	4.3
149.09630	24.9
153.09097	8.1
171.10120	14.7
189.11192	15.4
223.95737	2.5
244.73700	2.7
274.95197	2.5
313.27350	9.7
337.19986	2.8
371.44247	2.9
488.97925	2.6
502.37390	4.3
503.20358	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	501.1369
Annotation	Epigallocatechin 5,3',5'-trimethyl ether 3-O-gallate
Peak:m/z	Relative Intensity
57.03419	1.4
69.03422	1.4
70.06611	1.2
71.04993	1.4
71.61293	1.3
73.02901	3.2
85.02896	4.2
97.02862	1.6
98.97525	1.2
100.78519	0.8
107.04939	3.5
115.03960	0.8
123.04414	1.9
137.06030	1.1
140.71059	0.9
146.99634	1.1
162.09163	1.5
172.99403	0.9
189.10228	1.1
207.11322	3.3
237.02737	1.0
263.36728	1.0
296.43631	0.9
335.94644	1.0
369.16525	1.7
469.11905	2.2
501.13690	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1599
Annotation	Haploperoside C
Peak:m/z	Relative Intensity
57.03425	0.6
62.46206	0.1
63.84890	0.1
64.33147	0.1
67.01862	0.4
68.99801	0.3
69.56796	0.8
69.57208	0.4
71.04987	4.3
85.02901	5.9
88.90348	0.2
92.14928	0.1
95.04960	0.2
109.02782	0.1
125.05984	0.4
126.21252	0.2
129.05481	1.3
137.06029	0.2
143.00647	0.1
146.20027	0.1
147.04427	0.3
147.06525	0.3
152.32475	0.2
169.04962	0.2
175.03751	0.1
180.74702	0.2
193.04951	100.0
194.05257	0.4
310.74802	0.2
336.93631	0.1
355.10211	13.7
479.72348	0.2
500.66821	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2306
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05478	0.4
57.82078	0.3
58.02861	0.3
67.05463	0.7
69.03379	0.6
69.07017	0.5
71.04961	0.4
71.61552	0.5
71.61919	0.3
74.09694	0.3
79.05438	0.4
80.67885	0.3
81.03393	0.5
81.07058	2.1
83.04939	0.4
83.08543	0.3
85.02881	0.6
88.02181	0.3
91.05455	0.8
93.07001	1.2
95.08554	1.0
97.06503	0.4
99.08029	0.4
105.06950	1.3
107.08549	0.7
109.10064	0.9
111.08018	0.3
117.07082	0.4
119.08553	0.6
121.10088	0.8
123.11715	0.3
127.03866	0.7
131.08487	0.5
133.10117	0.8
135.11661	0.3
137.05916	1.1
143.03104	1.3
145.02771	0.8
145.10081	0.6
147.04387	0.7
147.11642	0.6
159.11607	0.5
161.05911	0.5
163.03841	0.6
167.06906	0.4
175.14793	0.3
177.05432	0.7
177.12749	0.3
187.14732	0.4
199.07541	0.6
201.18311	0.3
203.05200	1.3
203.06932	0.4
207.13655	0.4
215.67108	0.3
245.04437	0.3
245.06374	4.8
289.27026	0.3
297.11118	0.6
303.23230	0.4
309.23557	0.3
321.24234	0.4
365.10532	45.1
483.17752	0.5
501.23068	100.0
502.23499	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.3267
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	7.3
55.01866	6.2
55.05511	28.9
57.03436	25.3
57.07067	7.3
58.15034	1.5
61.02925	58.7
61.64200	1.7
65.03954	3.3
67.05503	78.0
69.01152	1.6
69.03427	33.6
69.07066	32.9
70.66552	6.0
71.01354	4.9
71.04985	6.6
71.08623	3.3
73.02917	30.1
75.04483	3.5
79.05499	30.6
81.03412	20.6
81.07056	83.4
83.04983	5.1
83.08622	19.0
85.02902	54.0
87.04466	2.9
91.03953	34.1
91.04511	2.0
91.05481	18.4
93.07044	31.7
95.04979	4.1
95.08606	69.2
97.02890	44.1
97.06534	7.2
97.10173	8.6
99.04453	11.1
99.08093	4.0
101.02367	13.8
103.03931	12.9
105.07018	17.4
107.05005	2.2
107.08598	19.9
109.02869	9.6
109.06527	4.6
109.10161	25.9
111.04409	3.3
111.08086	4.0
111.11690	3.8
113.06012	2.5
113.09673	2.5
115.03923	5.2
117.05490	2.5
117.07021	3.9
118.97857	2.1
119.08563	16.6
121.10152	16.2
123.11687	14.3
125.09623	2.7
127.03916	20.1
129.05453	4.2
129.07027	2.2
131.08566	5.2
133.10130	13.4
135.11687	11.4
137.05942	2.1
137.09566	2.9
137.13295	5.6
139.11136	2.2
141.12727	1.9
143.08617	2.0
145.04994	10.0
145.10117	3.8
147.04411	5.5
147.11717	10.0
149.13268	8.0
151.11221	2.7
151.14774	2.2
159.06564	2.6
159.11705	1.7
161.13309	10.3
163.11150	2.0
163.14828	7.9
171.11703	2.6
173.13177	1.8
175.14810	5.9
177.16344	2.6
179.14311	2.8
183.06551	8.0
187.14839	2.1
189.16400	3.7
193.15950	3.0
195.00365	3.0
201.07571	5.0
209.15582	1.9
231.74014	1.7
245.22681	13.4
263.23697	28.5
303.23108	3.6
305.24646	2.9
317.24976	2.6
329.24759	2.2
335.25842	2.1
337.27359	100.0
343.26392	1.9
347.25946	3.1
359.26035	2.2
365.26932	4.1
371.25812	5.4
389.27206	2.2
407.27936	3.3
445.29333	5.1
463.30441	3.4
481.31540	7.3
499.26031	2.6
499.32739	36.4
508.35376	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.3264
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	6.1
55.01867	3.8
55.05508	21.0
57.03432	23.2
57.07070	6.0
60.08149	3.4
61.02927	55.8
65.03946	2.6
67.05505	62.1
69.03427	30.0
69.07069	30.2
70.90176	6.0
71.01350	5.0
71.04978	5.9
73.02914	24.1
79.05494	18.5
81.03412	17.9
81.07051	75.9
83.04965	5.7
83.08622	15.8
85.02901	54.3
86.09698	8.5
87.10025	4.1
91.03955	38.7
91.05479	17.8
93.07031	25.4
95.04954	7.4
95.08607	57.5
97.02891	45.7
97.06541	4.7
97.10162	8.2
99.04453	9.1
99.08108	2.9
101.02363	8.4
103.03947	7.7
104.10741	12.5
105.07036	14.2
105.11093	7.5
107.08575	18.4
109.02866	9.1
109.06522	2.1
109.10156	24.8
111.04466	2.6
111.08019	2.7
111.11700	3.3
112.40193	2.0
113.09622	2.9
115.03914	5.9
117.05489	2.5
119.08592	11.4
121.10167	13.0
123.11713	14.5
124.99999	6.0
127.00443	2.8
127.03900	22.0
129.05467	4.6
131.08557	3.9
133.10133	13.0
135.11697	9.6
137.13271	5.7
141.05330	2.0
142.86082	2.0
145.04979	11.4
147.11707	6.9
149.13274	7.1
150.44957	1.9
151.14804	2.8
159.06508	2.5
161.13260	9.5
163.14760	6.2
165.12772	2.4
172.95216	2.4
175.14758	5.5
177.16396	2.7
179.17961	2.4
181.15813	2.7
183.06546	5.4
184.07378	15.1
185.07640	5.6
186.07816	5.7
189.16486	2.7
201.07571	4.9
236.15071	2.3
245.22658	10.2
261.22217	2.5
263.23718	23.8
303.23361	3.1
337.27374	100.0
347.26440	2.6
355.00443	2.0
371.25659	4.5
379.28519	2.8
445.29639	4.1
481.31781	6.7
499.32809	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	497.3112
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	7.7
55.01863	7.7
55.05512	22.6
57.03436	31.8
57.07068	5.3
61.02925	81.2
63.75503	1.3
65.03916	4.1
67.05505	89.5
69.03428	53.3
69.03808	2.5
69.07073	18.9
69.07421	2.8
69.35304	2.5
69.35709	12.8
71.01332	5.8
71.04992	7.5
73.02914	36.5
75.04456	2.9
75.35419	1.3
77.03893	1.3
79.05490	56.9
81.02921	1.6
81.03415	30.2
81.07056	95.0
83.04984	10.9
83.08625	10.2
85.02904	82.2
85.03311	1.0
85.03436	2.9
85.06525	2.9
87.04462	4.7
91.03400	2.8
91.03957	49.9
91.05479	40.2
93.07044	65.9
95.04971	11.2
95.08604	73.5
97.02891	66.4
97.06514	5.9
97.10158	5.0
99.04456	12.6
99.08090	3.6
101.02380	13.9
101.96947	1.6
103.03954	12.2
104.36491	1.5
105.06380	2.3
105.07036	30.6
105.07742	1.4
106.17534	1.3
107.04971	2.1
107.08589	37.8
109.02876	13.5
109.06516	7.1
109.09442	2.5
109.10156	28.6
111.04436	3.9
111.08083	4.4
113.06036	1.8
115.03922	8.5
115.05418	1.5
117.05487	3.3
117.07019	12.7
119.07765	2.7
119.08573	24.7
121.06541	3.4
121.10142	29.1
123.08060	3.6
123.11699	15.0
125.09599	3.6
127.03909	25.2
128.06194	1.4
129.05473	8.1
129.06992	5.6
131.08575	21.0
133.06474	2.2
133.10127	21.4
135.08032	3.7
135.10692	1.9
135.11684	19.3
137.09644	4.4
137.13245	8.9
139.07579	1.7
143.08572	5.0
145.04942	8.4
145.06500	1.7
145.10114	16.9
147.04411	1.8
147.07994	2.0
147.11682	14.6
149.09526	2.4
149.13268	13.2
151.11119	3.5
153.12782	1.4
154.07776	1.5
155.08562	2.9
157.06584	1.8
157.10127	4.4
159.06569	2.2
159.11687	13.3
161.09621	1.6
161.13258	5.6
163.03909	2.6
163.11160	2.4
163.14795	7.6
169.10115	3.3
169.12244	3.3
171.06508	1.9
171.08005	1.7
171.11679	4.9
173.13243	12.4
175.11203	1.9
175.14853	5.2
177.12750	2.8
177.16414	3.0
179.14270	2.4
183.06517	3.7
183.11665	3.3
185.13277	3.5
187.11203	1.6
187.14844	4.6
191.14250	1.7
195.11705	1.4
199.14865	2.8
201.07582	5.1
201.16341	1.8
233.22536	1.7
243.21100	6.0
259.20526	3.7
261.22131	20.4
277.21545	1.6
279.23264	1.5
289.21616	2.3
301.21652	2.6
303.23068	3.3
315.23172	4.2
317.17798	2.5
317.24576	3.0
327.23175	3.6
335.25793	100.0
345.24155	3.2
351.23251	2.9
363.25229	3.9
369.24237	6.9
377.26700	1.9
387.25250	4.0
405.26279	3.9
443.27725	5.6
461.29034	4.8
479.30182	9.2
497.14340	3.1
497.31042	40.3
498.15033	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.3789
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27030	0.3
55.01861	0.6
55.05519	1.8
57.03435	5.5
58.06599	25.4
58.06868	0.8
59.04990	0.3
59.07380	8.4
60.08163	8.6
67.05502	5.3
68.78613	0.3
69.07069	2.2
73.02894	0.9
75.04474	3.4
79.05506	1.5
81.07059	5.7
83.04963	0.3
83.08580	0.8
84.08127	0.8
85.02903	1.9
87.03983	0.4
87.04461	3.9
91.05453	1.0
93.05499	0.5
93.07043	2.2
95.08603	2.1
102.05515	0.3
103.03933	0.7
105.05484	0.9
105.07008	0.7
107.08589	1.3
109.10123	1.4
113.05997	0.7
119.08525	1.2
121.10126	0.4
123.11670	0.7
125.09628	0.6
127.62608	0.3
131.07060	1.8
133.10103	0.8
135.11737	0.7
137.13184	0.4
139.11154	0.3
144.09129	0.4
144.10201	6.7
147.04393	0.3
159.06467	0.4
162.11246	3.8
167.10683	0.3
218.13907	0.7
218.86395	0.3
229.66185	0.4
236.14919	100.0
237.15269	0.9
270.42880	0.3
393.29849	0.3
397.19232	0.3
436.38031	0.4
437.16376	0.4
480.36859	21.0
481.37180	0.4
498.37878	80.3
499.38071	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1416
Annotation	CHEBI:67640
Peak:m/z	Relative Intensity
56.96555	2.1
59.01433	1.0
68.21080	0.9
70.77431	3.1
70.77821	1.5
79.05441	1.0
81.07040	1.0
84.96059	1.0
98.97573	1.8
99.43781	1.0
112.18629	1.0
116.98540	1.7
117.25183	0.9
123.04475	1.1
149.01189	1.1
163.03918	1.0
219.01805	1.4
224.03502	1.7
237.02765	5.0
239.05775	1.0
321.71570	1.0
327.61975	1.0
357.68311	0.9
375.71292	1.0
383.09998	1.2
402.57639	0.9
480.78632	1.1
497.14166	100.0
498.14545	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1629
Annotation	Unknow
Peak:m/z	Relative Intensity
61.70821	0.2
69.03419	0.3
71.31625	0.2
71.61488	0.3
85.02891	0.9
88.34151	0.2
95.45705	0.2
96.05019	0.2
97.02641	0.2
105.07001	0.2
109.02855	0.2
119.30573	0.2
137.05946	0.2
158.16299	0.3
163.03944	0.4
165.05588	0.2
169.04750	0.2
171.04126	1.3
180.97548	0.2
185.04201	2.8
189.05298	0.2
294.07233	1.1
334.10388	0.7
335.10989	19.4
491.31418	0.2
497.16287	100.0
498.16495	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.3399
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82209	0.1
55.05510	0.1
56.05025	0.2
57.03426	0.2
57.07076	0.8
58.06623	0.4
59.07391	0.1
60.08163	4.9
67.05501	0.2
69.07068	0.2
70.06606	0.1
70.65219	0.4
71.07373	2.5
71.08629	0.5
81.07028	0.2
83.45652	0.1
85.10210	0.2
86.09705	25.7
87.10027	0.2
94.43623	0.1
94.72243	0.1
95.08611	0.3
97.10210	0.1
98.97933	0.0
98.98459	2.3
104.10747	2.5
105.10966	0.1
109.10152	0.1
116.99487	0.1
125.00003	17.9
143.01050	0.3
143.08762	0.1
147.04417	0.2
166.02702	0.1
184.07336	100.0
185.07713	0.8
258.11023	0.2
313.27377	0.3
320.72440	0.1
414.59460	0.1
478.32950	1.3
496.34021	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.3422
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	3.4
57.07034	2.5
60.99329	3.1
67.05503	19.1
69.21442	2.8
71.60471	3.7
81.07048	37.1
86.08966	2.5
89.06052	6.7
91.05486	8.6
91.53741	2.4
93.07053	12.9
95.04951	10.7
95.08615	3.5
100.41047	2.7
100.85552	3.0
105.07066	2.9
106.84636	2.9
107.08576	8.8
109.06503	10.8
109.10158	82.9
123.11690	9.8
133.10147	9.1
137.13258	16.4
140.47867	2.9
151.09979	5.5
151.11182	100.0
152.11569	3.8
154.38062	2.5
177.11244	3.3
243.85788	2.9
257.11896	3.9
283.17477	8.8
351.21701	2.8
419.09335	2.9
496.34299	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	496.2327
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82333	1.0
55.01888	1.0
55.05503	1.1
56.96559	3.1
60.95846	1.1
65.03930	1.2
65.43860	0.8
67.05508	13.3
68.05847	2.0
69.07063	1.8
71.60423	1.5
79.05502	1.7
81.07048	3.9
87.08099	2.0
91.05473	10.4
93.07036	4.2
94.07376	1.1
95.08585	1.5
105.07030	3.4
107.08617	5.0
108.08924	1.4
109.10152	9.1
110.10452	2.4
111.11702	1.0
119.04932	20.3
133.10126	7.2
135.11743	2.0
136.11964	1.1
147.04405	100.0
148.04773	2.7
153.12750	6.6
163.03862	1.8
165.05339	1.0
213.04312	1.9
217.03700	1.0
239.02353	2.8
243.01498	2.3
257.03342	4.9
258.03702	2.5
261.02686	2.6
262.04037	1.1
297.14850	3.6
352.18524	1.0
436.18607	1.1
496.27341	1.5
521.17468	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.7
54.24971	0.7
55.01861	0.9
57.03439	4.8
57.07065	0.7
61.02924	7.2
62.67774	0.9
66.20785	0.7
67.05527	1.2
69.03425	12.1
69.07083	1.0
69.81124	2.3
69.81561	2.5
71.04981	2.0
73.02910	2.9
73.18237	0.7
79.05482	5.9
81.03400	4.9
81.07055	86.4
82.07364	0.7
85.02903	100.0
87.04473	2.6
91.03945	5.3
94.35310	0.6
95.08614	6.9
97.02889	21.0
99.04438	5.1
103.03967	1.1
109.02882	7.6
115.03919	1.0
123.04359	0.8
127.03917	28.6
137.13252	31.6
144.82069	0.8
145.04958	59.9
147.04454	0.8
163.03983	1.5
163.06010	38.0
180.08629	0.9
185.48555	0.8
289.09378	2.6
325.11313	12.1
478.87259	0.8
496.18442	1.8
496.92746	0.9
497.18237	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	496.3395
Annotation	PC(16:0/0:0)[U] / PC(16:0/0:0)[rac]
Peak:m/z	Relative Intensity
55.05505	0.4
56.05031	0.9
57.03432	0.5
57.07072	2.9
58.06580	1.4
58.07472	0.2
59.07383	0.4
60.08159	15.2
67.05493	0.6
69.07057	0.4
70.06581	0.3
70.24355	0.9
71.07371	5.7
71.08625	1.8
81.07050	0.9
83.08620	0.6
85.10163	1.0
86.09700	47.4
87.10027	0.2
95.08615	1.1
97.10136	0.2
98.98457	3.2
104.10737	100.0
105.11079	0.5
109.10161	0.5
113.26186	0.2
124.99998	26.1
127.34657	0.2
143.01082	0.4
163.01564	0.9
181.02681	0.2
184.07329	96.2
185.07770	0.4
193.74187	0.2
258.11066	0.9
313.27280	1.8
332.67798	0.2
419.25424	0.3
478.32916	9.4
479.33456	0.3
480.06918	0.2
496.33948	44.3
497.34369	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.2328
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96568	0.6
65.03924	0.8
67.05506	3.9
71.59344	0.9
74.99167	0.5
79.05503	0.6
81.07072	1.5
91.05482	8.7
93.07051	1.2
105.07038	4.9
107.08597	1.9
109.10151	2.1
110.94936	0.6
111.11703	0.6
119.04941	19.5
126.52219	0.6
133.10130	6.2
135.11676	1.0
147.04407	100.0
148.04765	2.1
153.12711	1.6
153.16513	0.6
163.03876	0.8
165.05458	1.5
167.28668	0.6
240.38835	0.6
257.03293	1.2
297.14938	4.0
408.75970	0.5
478.29126	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.1
55.01861	1.9
56.96559	0.7
57.03436	3.4
61.02931	3.6
65.03922	0.6
65.75117	0.5
69.03072	0.7
69.03426	9.1
71.01328	0.8
71.04987	1.9
71.50077	1.0
73.02914	3.9
79.05489	1.0
81.03423	4.0
84.95997	0.5
85.02905	38.6
87.04451	1.2
89.03903	0.9
91.03956	0.9
91.05479	11.1
97.02892	9.5
98.97571	0.9
99.04453	3.0
101.02412	0.8
103.03931	1.7
106.56648	0.5
107.04934	1.4
109.02871	2.2
109.06525	1.1
115.03948	1.2
116.98615	0.5
117.03382	1.1
119.04945	6.7
121.06491	0.9
123.04434	0.7
127.03911	12.6
127.04799	0.8
128.98674	0.7
133.06488	0.7
135.04395	2.1
137.05977	100.0
138.06343	0.9
139.03880	0.6
145.02927	1.1
145.04959	13.4
147.04448	0.6
149.05965	1.1
151.07584	1.4
155.07028	18.0
161.05949	0.6
163.03926	11.5
163.06004	16.8
164.04285	0.6
165.05481	0.6
171.06541	0.6
175.07607	0.8
179.07033	2.2
180.08636	0.8
181.07082	1.2
185.05832	0.4
189.00786	0.7
203.07047	1.4
211.02641	0.7
219.01797	1.5
221.08101	2.2
233.08167	0.9
237.02798	3.1
245.08115	0.7
251.09059	0.8
263.09174	4.0
281.10175	2.7
282.73422	0.5
317.12302	1.1
325.11362	1.7
337.05963	0.6
339.07532	1.8
387.43933	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2953
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.2
55.01859	2.4
55.05257	1.3
55.05507	17.5
57.03437	10.5
57.52800	1.1
59.04976	1.0
59.24286	0.8
61.26017	0.7
62.23861	0.8
62.51215	0.7
65.03931	2.1
67.05500	28.9
69.03429	4.4
69.07062	8.1
70.17593	4.3
71.04988	6.1
78.34230	0.7
79.05490	30.0
79.58965	0.7
81.03413	74.1
81.07052	36.9
83.04980	15.1
83.08138	1.6
83.08616	24.9
83.09113	1.4
85.02901	37.5
85.06528	3.2
91.05476	37.9
93.07041	21.5
95.04961	32.2
95.08605	12.3
97.02892	4.0
97.06513	5.7
97.10152	6.5
98.21444	0.9
99.08066	1.5
105.07022	26.6
107.04965	7.0
107.08586	10.8
109.06528	6.1
109.10163	5.1
111.04436	2.2
111.08070	11.9
113.05980	2.9
115.05447	1.7
117.07011	1.6
118.28927	0.7
119.04953	1.6
119.08572	24.6
121.06498	2.5
121.10137	12.5
123.08053	3.8
123.11668	3.0
125.09621	2.9
128.06174	1.0
129.06990	13.6
131.08553	13.4
133.06461	4.5
133.10127	11.3
135.08081	1.2
135.11728	1.1
137.05974	1.9
137.09619	3.1
137.70203	0.9
142.07730	4.8
143.08597	1.1
145.06482	1.4
145.10133	2.3
147.04367	4.9
147.08047	3.3
147.11679	16.7
149.09596	6.9
151.07550	1.1
153.12654	1.1
157.10114	15.6
163.03868	1.4
163.11232	1.5
164.70425	0.8
165.12738	4.0
175.11166	17.8
184.07364	2.5
189.11194	1.7
193.12233	65.1
195.53629	0.8
203.14241	1.0
211.13281	89.2
212.13634	1.0
215.14270	0.9
267.15903	11.5
285.16901	4.3
289.11243	1.7
357.39450	0.7
367.22702	1.0
385.23700	2.1
424.86188	0.8
431.28116	1.0
459.26892	4.3
460.28134	1.0
477.28455	9.6
495.29517	100.0
496.30179	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	496.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42741	2.3
55.01867	4.1
57.03434	29.6
59.04979	3.0
61.02908	11.1
69.03079	3.7
69.03429	51.2
69.31396	2.5
70.52539	4.3
70.52882	7.5
71.01340	3.4
71.04990	18.4
73.02912	49.0
73.71064	2.6
74.63620	2.3
77.33734	2.1
79.01572	2.3
81.03422	13.0
83.04973	5.4
84.04520	2.3
85.02902	100.0
87.04456	6.2
91.03941	5.5
91.05476	22.3
94.44703	2.6
97.02885	50.5
98.97555	3.0
99.04453	10.0
103.03957	4.5
105.07045	3.0
107.04955	22.5
109.02864	9.5
111.04420	6.4
115.03926	37.7
115.59737	2.1
117.67817	2.3
119.04962	22.0
121.06503	6.8
123.04462	4.4
127.03909	28.6
129.05463	11.7
131.04871	3.7
133.04956	9.9
133.06465	5.5
135.04427	11.3
137.05957	37.2
138.34201	2.8
145.04947	28.3
145.06552	2.4
147.06537	8.8
149.06009	4.2
151.07556	16.5
152.07031	15.1
153.05434	5.0
155.06993	2.9
161.05986	10.0
163.03839	7.5
163.06001	10.3
165.05457	3.3
166.74362	2.6
167.07048	8.4
173.04538	4.6
173.05978	9.9
175.07596	2.8
177.05501	5.6
185.05991	5.2
187.07513	4.0
203.07007	7.1
203.11778	5.0
237.02940	3.6
241.07045	6.0
245.08183	3.7
251.09157	11.7
259.08072	6.6
263.09067	7.1
281.10098	8.7
295.10226	17.0
298.42938	2.6
469.10339	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	496.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61882	1.4
53.03943	1.5
55.05504	2.5
57.03432	10.5
61.02922	2.6
69.03426	20.1
70.10552	6.7
71.04991	57.2
73.02927	7.4
75.04485	5.9
79.05499	1.4
81.03422	4.8
83.04970	7.3
84.39801	1.3
85.02903	100.0
87.04452	2.7
88.03992	2.5
91.05488	5.5
95.04987	1.8
97.02896	10.1
98.21476	1.8
99.04455	3.7
104.42032	1.2
107.04971	4.0
109.02877	3.2
111.04440	5.8
115.03924	3.7
119.04932	3.0
121.06541	2.7
123.04408	3.5
127.03912	11.2
129.05476	27.8
134.77052	1.2
135.04404	2.6
137.05983	28.5
137.06801	1.1
144.91435	1.3
145.04924	8.5
147.06519	17.8
149.05948	2.3
151.07536	2.9
153.05435	8.2
155.07091	2.6
158.99557	1.3
161.05945	1.3
162.07632	1.6
163.03880	2.5
163.05951	7.2
165.05472	5.2
167.07016	3.1
171.06570	2.4
173.04541	1.6
177.05496	2.2
179.07053	5.8
180.08720	5.6
203.07091	1.9
221.08153	1.9
247.09694	3.9
255.08609	5.5
263.09286	3.1
265.10834	1.4
309.11749	4.5
444.75244	1.4
448.14151	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2954
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	5.8
55.01870	6.2
55.05511	19.6
56.96565	4.9
57.03431	12.7
57.07076	13.2
61.92772	2.2
62.61256	2.3
65.03919	3.3
67.05503	80.9
68.05824	6.1
69.03443	5.7
69.07069	18.3
70.01364	9.9
71.04995	8.1
73.02911	2.6
73.90343	2.2
79.05492	35.1
81.03417	77.3
81.07056	45.6
83.04969	16.7
83.08606	25.8
83.34396	2.2
85.02901	45.7
85.06558	2.8
87.08101	5.4
91.05482	50.4
93.07041	33.7
95.04970	34.2
95.08614	21.3
97.02882	4.7
97.06532	3.5
97.10177	5.3
99.63918	2.7
105.07026	41.7
107.04972	9.1
107.08609	23.6
108.08933	3.6
109.06533	5.6
109.10156	37.2
110.10493	5.5
111.04379	3.4
111.08097	12.9
111.11734	5.7
113.05968	3.1
117.07024	5.2
119.04946	7.6
119.08574	28.0
121.10139	11.7
123.08098	4.9
123.11739	5.0
125.09602	4.1
129.07013	14.7
131.08589	14.6
133.06528	5.6
133.10156	17.2
135.11705	10.7
137.09644	3.0
142.07785	4.6
145.00208	2.2
145.10109	2.9
147.04416	33.3
147.08076	5.5
147.11687	19.0
148.04791	5.7
149.09616	9.3
153.12732	13.0
153.25444	2.3
154.13124	2.5
157.10121	11.9
159.11700	3.4
163.03920	5.4
163.11078	2.7
165.58545	2.1
175.11200	16.8
193.12242	60.1
211.13286	78.6
223.04408	2.8
227.79631	2.6
239.02301	6.6
241.05643	5.3
257.03354	9.5
267.15988	10.6
279.19852	2.6
285.17056	5.7
328.46616	2.6
355.13681	2.7
356.14063	3.3
373.14728	7.3
374.15091	9.8
385.23605	2.5
430.72058	2.4
459.27637	4.5
477.28577	10.7
495.29584	100.0
519.18713	10.8
520.18671	19.0
521.18927	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	495.2014
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.5
55.05506	2.2
57.07085	1.4
59.05007	4.1
64.39990	0.7
67.05502	3.8
69.03432	5.8
69.07059	3.8
69.43661	3.4
69.44096	3.1
71.04987	2.3
72.51167	0.6
79.05475	5.1
81.07059	13.1
83.04980	10.1
85.06580	0.8
89.06001	0.8
91.05476	8.9
93.07040	7.8
95.04960	1.9
95.08603	8.6
97.06537	13.6
97.10125	0.7
98.20754	1.5
99.00814	2.2
105.07014	3.9
107.04954	5.7
107.08594	39.2
108.12514	0.6
109.06514	15.4
109.10143	5.4
111.08118	1.0
115.39934	0.7
119.04938	7.2
121.10143	15.4
123.08080	6.5
123.11719	2.0
125.05985	2.6
125.09627	100.0
131.08549	2.9
133.10196	1.0
135.11581	1.0
139.11176	60.6
139.92258	0.8
147.04440	4.9
149.09615	27.2
151.11183	2.8
163.03943	1.0
167.10674	95.3
169.12265	0.8
185.11708	1.0
191.08566	0.8
207.08029	1.3
208.13358	0.8
213.09050	5.6
235.07527	1.7
236.39851	0.7
237.09056	1.5
243.57224	0.7
247.07492	0.9
253.08492	1.4
265.08365	1.0
265.10739	6.2
281.07950	0.8
283.11734	2.1
311.09030	1.6
446.24338	0.8
495.20151	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1286
Annotation	CHEBI:69451
Peak:m/z	Relative Intensity
55.05482	0.5
61.02919	0.5
67.05501	1.3
68.99794	0.4
69.07073	0.4
69.89368	3.0
79.05495	1.5
81.03404	0.8
81.07052	1.9
85.02902	0.6
85.06538	0.5
91.05476	2.5
93.07036	1.4
95.04986	1.0
95.08598	0.9
103.05476	2.6
104.06245	0.5
105.07036	1.3
107.04966	0.9
107.08574	1.1
109.10172	0.5
109.78394	0.4
118.04162	1.7
119.04943	0.9
119.08608	0.8
121.06507	1.2
121.10178	0.6
123.04432	0.5
126.53272	0.5
130.04143	1.4
131.04938	3.8
132.05716	1.9
133.02892	0.7
133.06479	0.6
133.10138	0.7
135.04451	1.1
137.06003	0.5
138.16354	0.5
140.04659	1.4
146.03583	2.4
147.04387	1.9
148.05199	0.9
149.05998	1.0
153.01817	5.7
153.05519	0.5
155.07109	0.6
160.05119	0.7
161.05974	1.2
162.03131	0.8
163.03889	1.0
165.05495	0.4
166.06354	0.5
167.07068	1.7
176.04700	1.9
177.05479	3.1
177.09134	0.4
178.06200	3.1
182.09334	0.5
191.07028	3.2
192.07829	1.7
193.08611	0.5
203.03410	4.2
207.42726	0.5
213.05579	0.7
229.04951	5.0
241.04912	1.1
242.05713	9.1
242.84564	0.5
253.04968	1.6
257.04434	49.9
258.05228	14.8
269.04446	1.9
270.05289	1.7
271.05963	2.1
285.03925	7.2
286.04706	26.4
287.05466	16.3
288.79358	0.5
297.03934	2.8
299.05469	1.6
300.06284	1.3
311.05847	0.4
327.04959	2.1
341.06604	1.7
382.19910	0.5
402.07431	0.7
447.07104	1.6
462.09509	1.1
465.12003	2.7
477.11804	10.8
495.12842	100.0
496.13156	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.3324
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.6
53.60956	0.7
55.01840	1.2
55.05476	2.4
56.05040	4.8
56.05698	0.7
57.03391	2.2
58.20966	0.8
60.04525	83.7
60.04806	3.3
60.04955	2.4
61.02889	3.0
67.05506	8.2
69.03429	9.6
69.07065	4.6
69.47326	0.6
70.06545	1.4
71.04956	3.1
71.59535	0.9
72.04480	2.7
73.02895	1.3
74.06084	3.7
79.05501	4.7
80.04969	1.7
81.03413	4.8
81.07057	10.1
82.06579	1.6
83.04964	1.0
83.08588	2.4
84.04460	1.3
85.02905	24.9
86.06039	2.0
87.00814	0.8
90.05532	1.3
91.05464	3.9
93.07046	6.0
94.06530	1.5
95.04948	1.7
95.08616	8.3
96.08091	1.5
97.02366	0.8
97.02898	7.3
97.04160	0.6
97.06483	1.7
97.10154	0.9
99.04463	4.9
102.05506	1.8
104.07053	2.5
105.07027	3.5
107.08599	4.9
108.08119	0.8
109.02834	3.4
109.06467	1.5
109.10159	5.0
117.06956	0.9
119.08579	3.9
121.06496	1.7
121.10092	3.3
122.09612	1.1
123.08064	1.0
123.11695	1.8
126.90811	0.7
127.03898	6.7
131.04834	0.8
131.08575	1.5
133.10092	3.0
135.11694	5.7
137.05930	3.0
145.04900	2.9
145.10065	0.9
147.04340	2.1
147.11653	1.2
149.13196	1.0
151.07556	1.2
160.29272	0.8
163.03883	2.6
164.07156	0.7
175.07437	1.3
175.14790	2.9
184.07133	0.9
193.15898	3.9
206.10132	1.4
211.16917	13.1
224.11273	2.8
248.23563	0.9
260.23749	2.2
267.10083	2.2
278.24847	6.7
281.11581	1.9
287.05603	1.2
296.25766	9.6
314.23264	0.9
314.26877	14.0
332.27945	100.0
374.29077	2.5
397.14508	0.8
458.30975	1.4
476.32632	4.2
494.33234	86.6
495.12781	1.4
495.33801	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.3242
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	0.3
56.05033	0.5
57.03429	0.2
57.07072	0.3
58.06621	0.5
58.46228	0.1
59.07399	0.2
60.08163	6.2
67.05487	0.4
69.07070	0.6
70.06581	0.5
71.07373	2.6
71.10202	0.3
79.05492	0.3
81.07053	0.8
83.08611	0.2
86.09702	28.7
87.10046	0.2
88.07625	0.4
91.05489	0.2
93.07059	0.4
95.08623	0.5
97.10181	0.2
98.98463	2.8
102.09176	0.5
104.10744	3.0
107.08622	0.1
109.10140	0.2
116.05798	0.1
121.10186	0.2
124.99998	19.8
143.01041	0.4
147.04402	0.4
149.02345	1.2
184.07332	100.0
185.07718	0.5
193.04951	1.4
212.20477	0.1
237.07568	1.4
258.11093	0.1
284.29407	1.2
311.25842	0.3
446.80936	0.1
476.31473	1.1
494.33078	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	494.3324
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38694	0.4
53.03947	1.4
53.46843	0.4
55.01881	1.2
55.05513	4.1
56.05036	4.0
57.03434	2.6
57.07076	1.0
58.02969	0.7
58.06593	0.9
60.04526	93.4
61.02937	2.1
62.70989	0.5
65.03954	0.7
67.05505	9.1
68.05035	0.6
69.03431	7.9
69.07072	4.7
70.06593	1.0
71.05000	4.2
71.08620	0.6
71.59913	0.8
72.04510	2.5
73.02922	0.9
74.06078	4.6
79.05492	5.7
80.05019	1.7
81.03426	4.0
81.07059	9.6
82.06593	1.8
83.04985	0.9
83.08637	1.5
84.04520	1.3
85.02905	25.8
85.06538	0.6
86.06081	2.3
87.04476	1.5
90.05563	1.2
91.05473	4.5
93.07037	6.4
94.06591	1.6
95.04977	1.5
95.08605	8.9
96.04515	0.5
96.08139	1.2
97.02897	6.6
97.06533	1.4
97.10210	1.1
98.06052	0.8
98.97462	0.4
99.04457	12.3
100.07647	0.6
102.05541	2.8
103.05499	0.6
104.07117	2.2
105.01924	0.6
105.07046	3.0
107.04972	0.9
107.08587	4.0
109.02890	4.3
109.06520	1.0
109.10159	4.2
111.08121	0.4
112.07623	0.7
113.09656	1.5
115.03974	0.6
116.07098	0.6
117.07040	0.8
119.08591	2.9
120.08066	0.6
121.06490	1.1
121.10132	4.0
123.11740	2.8
125.09626	0.5
127.03909	6.2
131.04930	1.0
131.08563	1.8
133.10135	3.0
135.04562	0.5
135.11685	7.8
137.05959	2.8
145.02846	0.5
145.04990	1.6
145.10155	0.7
147.04434	1.2
147.11752	1.0
149.13281	1.2
151.07527	0.7
159.11690	0.6
161.13376	0.5
163.03940	1.9
163.07608	0.8
164.04303	0.5
171.00021	0.5
175.14850	1.8
177.05449	0.8
186.07774	0.5
188.09210	0.9
193.10167	0.5
193.15913	1.8
206.10262	1.1
207.68167	0.5
211.16927	26.9
212.17337	0.7
224.11357	1.8
248.23766	1.1
249.09175	0.6
250.09885	1.4
251.07022	0.8
260.23843	1.8
267.10202	1.6
276.22827	0.6
278.24783	8.3
279.68463	0.5
281.11743	2.1
296.12714	0.5
296.25873	8.7
314.26920	16.5
332.27939	100.0
333.28284	1.6
374.28998	3.2
422.29120	1.0
433.25534	0.5
440.29880	1.0
445.57224	0.6
458.31097	1.9
476.32037	4.2
494.33249	80.3
495.17694	0.6
495.33563	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.3243
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	0.5
55.86745	0.2
56.05028	0.5
57.07068	0.3
58.06355	0.4
58.06619	0.6
60.08161	5.6
67.05495	0.4
69.07069	0.8
71.07378	2.5
71.62518	0.2
71.62902	0.3
74.41749	0.2
76.81930	0.2
79.05481	0.6
81.07054	2.1
83.08612	0.6
86.09704	27.6
91.05491	0.4
93.07014	0.3
95.08611	0.6
97.06541	0.2
97.10172	0.2
98.98463	2.2
104.10743	8.3
107.04906	0.2
107.08601	0.3
119.04980	0.3
125.00005	19.1
125.09606	0.2
128.67818	0.2
137.13255	0.6
147.04448	1.1
149.09624	0.3
166.02602	0.3
184.07336	100.0
185.07748	0.5
215.54500	0.2
237.07516	0.4
258.10690	0.2
284.29388	0.3
304.00613	0.2
311.25735	0.4
366.43649	0.2
400.60858	0.2
476.31406	2.3
494.21536	0.3
494.32465	7.1
504.63046	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.2877
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03802	1.4
51.88542	1.2
53.03940	2.0
55.05513	20.7
56.96560	1.9
57.03439	14.4
57.07075	4.5
62.06081	6.0
67.05502	58.1
69.07066	20.8
69.41518	1.4
69.41831	13.2
71.04980	3.4
71.08630	28.3
79.05487	29.0
81.07053	74.0
83.05000	3.1
83.08623	9.4
85.06538	2.4
85.10170	4.4
91.04957	2.1
91.05475	20.4
93.07039	31.7
95.04956	4.1
95.08606	51.4
96.40444	1.9
97.06517	3.6
97.10161	4.0
98.06051	3.5
98.98464	14.3
99.08089	24.3
105.07022	17.4
107.04910	1.6
107.08591	19.8
109.06483	1.5
109.10155	17.2
111.08063	1.9
113.09633	3.8
113.40067	1.4
117.06998	3.3
119.04926	2.4
119.08598	10.9
121.10123	12.2
123.08047	2.1
123.11714	5.7
124.01542	1.5
131.08559	7.1
133.10117	7.3
135.11684	11.6
135.12648	1.6
137.13264	4.0
142.02666	4.1
145.10139	5.9
147.04391	8.6
147.11678	12.8
149.09618	2.5
149.13260	6.1
151.14862	2.0
153.12715	1.9
159.11658	3.9
161.13258	4.0
163.03944	3.9
163.11156	2.7
163.14816	5.7
165.12727	4.1
173.02142	2.3
173.13254	3.7
179.14232	1.5
181.15840	1.7
187.14761	1.9
209.15332	1.5
216.06360	2.2
231.28741	1.6
243.21149	7.1
253.18027	7.6
261.22076	14.9
279.23199	24.4
304.26270	11.1
322.27411	40.2
333.24066	1.7
335.25790	73.8
336.26569	2.2
340.28442	2.1
352.15137	1.6
353.26846	100.0
354.27203	1.9
433.23245	3.0
476.27771	5.3
494.29001	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	494.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.1
53.11921	0.8
55.01862	3.4
56.86497	0.8
57.03433	9.8
57.07069	1.2
59.05005	1.0
61.02917	6.6
65.03938	1.2
67.05503	2.0
69.03429	13.4
69.07049	1.2
70.76031	2.8
71.01342	1.6
71.04979	2.6
73.02911	10.1
79.05483	6.7
81.03412	5.0
81.07054	100.0
85.02902	60.6
86.09740	0.8
87.04454	2.8
91.03963	2.2
91.05472	3.2
92.05811	0.8
93.07039	22.8
95.08053	1.1
95.08611	12.6
96.36735	0.9
97.02889	16.3
99.04438	4.6
101.02403	1.1
103.03905	2.4
105.07030	2.1
106.06553	0.8
107.08588	12.9
109.02860	5.4
109.10146	1.2
115.03925	12.9
117.40246	1.0
119.08571	1.3
124.03967	0.9
125.02335	5.4
127.03912	18.5
131.04951	1.1
131.08664	1.3
133.04959	35.1
133.10172	1.3
134.58157	0.9
135.11682	35.4
137.13252	36.1
143.03348	1.4
145.02867	1.5
145.04944	21.6
147.04381	1.0
147.07922	0.8
151.03873	8.6
163.06015	20.7
169.04976	1.5
177.05473	2.8
179.05499	73.1
230.96259	0.9
313.09152	0.9
314.54117	1.0
315.17938	2.0
325.11240	3.5
332.08377	2.0
440.47607	1.0
489.77032	1.0
494.23444	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	2.4
55.01869	3.2
55.05498	2.2
57.03431	9.4
61.02919	5.9
67.05494	2.6
69.03423	16.0
70.14446	6.3
73.02911	12.7
79.05479	6.2
81.03386	2.3
81.07053	100.0
85.02905	55.5
85.03427	3.0
87.04504	1.6
91.05479	4.8
93.07037	22.5
95.04973	1.7
95.08608	12.1
97.02879	15.2
99.04450	4.0
103.03894	3.3
105.07033	2.5
107.08600	12.5
109.02853	4.3
109.10146	2.3
115.03933	11.9
119.08559	2.0
125.02335	7.1
127.03911	16.2
127.36259	1.5
133.04971	37.2
135.11688	36.7
137.05977	2.1
137.13249	43.7
145.04942	22.1
145.06073	2.1
145.06496	1.3
147.04344	3.5
163.03900	2.6
163.06020	27.9
177.05408	4.0
179.05507	85.2
207.71259	1.5
210.30238	1.5
211.16971	6.9
246.07970	1.5
275.47629	1.5
304.44009	1.5
315.05075	2.6
316.05283	5.2
325.11050	1.6
331.08203	4.3
332.08453	16.6
337.27161	1.5
361.13773	1.4
465.19714	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.1844
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32772	0.4
55.01841	0.8
55.05505	0.5
57.03420	1.2
57.03842	0.4
65.03929	0.6
67.05488	0.6
69.03424	0.9
69.07080	0.4
70.78568	1.3
71.04980	0.7
72.80713	0.4
75.04482	0.6
78.27630	0.4
79.05490	3.8
81.03391	0.8
81.07049	1.5
83.04973	0.4
84.08089	0.5
85.02889	1.7
90.04688	0.6
91.05479	5.1
93.07030	0.7
95.04967	1.3
95.08576	0.9
103.05475	4.3
104.06229	0.6
105.06375	0.8
105.07029	10.1
107.04951	1.4
107.08597	1.1
109.02875	1.7
109.06489	0.8
115.05463	0.7
117.07062	0.4
118.04161	11.6
119.04939	5.3
119.08585	0.8
120.05681	1.1
121.06489	2.0
122.07287	0.9
122.08171	0.5
123.08092	0.7
124.05218	6.2
127.03928	0.5
131.04941	0.9
133.02829	0.5
133.06491	16.6
133.10092	1.0
134.07248	1.3
134.94493	0.5
135.04393	1.3
135.08047	2.4
137.05983	6.6
145.06535	0.5
147.04390	7.8
149.05959	0.7
150.06750	7.1
150.76883	0.4
151.07506	2.9
161.06004	3.8
161.09593	0.4
163.03894	1.5
163.07561	0.8
165.09119	10.6
167.07022	0.8
175.07512	0.9
178.00917	0.9
179.07010	3.5
193.03284	4.5
193.08606	100.0
194.08922	1.0
242.54210	0.5
282.07919	0.5
319.40195	0.5
323.12747	2.6
355.15402	0.8
369.18134	0.5
377.01968	0.7
426.87259	0.5
467.80499	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2797
Annotation	Mucronine B
Peak:m/z	Relative Intensity
53.03931	5.9
55.01874	9.4
55.05509	23.1
55.43936	1.3
57.03446	8.7
57.07068	1.7
59.04982	4.2
59.66519	1.1
60.69366	1.2
65.03931	2.1
67.05505	29.0
69.03414	3.4
69.07063	7.9
71.04981	8.9
71.62569	1.9
71.62960	1.3
79.05489	33.3
81.03416	43.8
81.07056	34.7
83.01331	5.2
83.04974	18.0
83.08144	1.6
83.08617	24.1
83.75991	1.3
85.02898	25.2
85.06553	1.9
91.05477	31.2
93.07043	29.8
95.04961	24.1
95.08605	15.0
97.02881	2.5
97.06516	4.4
97.10155	5.3
99.04454	2.3
105.07026	23.9
107.04954	12.5
107.08584	13.6
109.06473	6.9
109.10168	6.2
111.04485	3.5
111.08064	8.3
113.05965	2.2
115.05429	1.8
117.06998	6.8
119.04919	2.0
119.08582	18.0
121.06502	4.1
121.10144	10.9
123.04430	1.8
123.08072	7.7
123.11717	1.9
125.05959	1.6
125.09604	2.9
127.07552	1.3
129.06969	7.6
130.07722	1.9
131.08539	9.4
133.06470	3.0
133.10127	8.2
135.08064	2.3
135.11682	10.7
137.05951	2.7
137.09656	2.2
143.08592	2.6
145.06493	1.6
145.10091	11.7
147.04405	3.8
147.08092	3.3
147.11719	10.8
149.09621	4.5
153.09113	1.4
153.12767	4.7
155.08545	2.2
157.10117	8.1
158.08690	1.3
161.06070	1.6
163.03889	2.5
163.11183	20.8
165.12790	1.9
167.07114	1.6
173.09666	2.7
175.11189	9.9
181.12239	3.2
191.10646	3.8
193.12239	42.6
199.42987	1.3
209.11748	5.7
211.13275	46.1
227.12767	5.3
266.41010	1.2
267.15918	3.5
283.15466	3.2
319.18887	1.4
342.38586	1.3
352.25885	1.4
355.50998	1.4
365.21030	2.2
383.21994	2.7
390.52560	1.6
475.26733	4.3
493.27902	100.0
494.28403	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	493.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01586	0.3
51.02374	0.4
53.03934	0.5
53.63609	0.3
55.01869	0.8
56.96566	0.5
59.14898	0.2
59.35019	0.2
65.03938	1.0
66.04703	0.4
67.05502	0.7
69.03410	1.1
69.07054	0.3
70.06594	0.3
70.53261	0.9
71.04979	1.0
77.03927	0.4
79.05504	1.8
81.03408	1.1
81.07047	1.2
83.04990	0.6
84.04530	0.3
85.02910	2.1
89.03917	0.7
91.05479	7.1
93.07037	1.4
94.04191	4.6
95.04977	2.1
95.08589	0.6
97.02877	0.8
97.06518	0.3
98.21484	0.3
99.04441	0.5
103.05461	4.8
105.07033	2.3
107.04963	1.7
107.08578	0.7
109.02869	0.7
109.06539	1.3
109.10104	0.5
111.04429	0.3
113.74849	0.3
115.05446	1.0
117.03365	1.1
117.07040	1.2
117.23326	0.3
119.04947	4.7
119.08596	0.4
120.08025	0.3
121.06505	3.4
121.10147	0.3
122.03651	9.2
123.04397	1.0
123.08042	0.5
125.06016	0.3
127.03921	0.7
128.06216	1.0
129.06970	1.8
131.04921	7.5
131.08539	0.7
133.06509	2.5
133.10112	0.4
135.04405	1.2
135.08061	2.1
135.11703	1.0
136.05209	1.0
137.05974	100.0
138.06337	0.6
141.07011	0.5
143.04962	0.6
143.08549	0.4
144.05714	0.3
145.02832	2.6
145.06467	2.0
146.03624	0.5
147.04440	1.4
147.08022	0.4
149.05983	4.1
149.09685	0.4
151.03931	0.5
151.07542	24.1
152.06192	0.8
153.06979	0.5
157.06487	1.4
158.07161	0.3
159.08098	0.6
160.05223	0.7
161.05972	4.2
161.09581	0.4
162.06799	0.4
163.03914	3.3
163.07545	16.7
164.79019	0.3
165.06999	2.2
165.09131	1.8
166.07758	0.7
167.07050	1.9
167.08577	3.5
169.06445	0.6
171.07967	0.8
173.05998	0.8
174.06725	1.3
175.07550	4.4
177.05490	2.8
177.07025	0.7
177.09001	1.6
178.05753	0.4
178.07741	0.4
179.08572	0.6
181.06517	1.0
182.07303	1.1
185.06004	0.3
187.06018	0.5
187.07480	2.0
189.09084	3.5
190.07864	0.4
191.07008	0.4
191.08598	0.9
191.10660	0.5
193.06490	1.6
193.10199	0.5
194.07220	0.7
195.08063	5.9
196.08818	0.7
197.06010	0.6
197.09665	0.5
199.07578	0.9
201.09016	1.6
203.08768	0.4
203.10652	0.8
205.08459	0.4
205.10249	0.4
209.09647	0.6
210.06793	1.7
211.07562	1.0
212.08270	1.3
213.09111	0.8
218.07402	0.4
219.08044	1.2
219.10066	0.6
220.83627	0.3
221.06038	2.5
221.09512	0.7
222.06667	0.4
223.07558	2.8
224.08348	1.1
225.09120	2.5
227.06975	0.9
227.10657	7.1
233.09685	0.8
235.07599	0.7
237.00690	0.5
237.02921	0.4
237.05484	0.4
237.09146	0.9
238.06270	1.3
239.06964	0.4
239.10808	0.7
240.07889	0.5
241.08600	0.5
247.07483	0.5
249.09151	0.8
251.10648	1.4
252.07829	1.0
253.08632	3.4
253.12218	0.6
255.10168	8.1
261.09128	0.5
265.12357	0.4
267.10034	2.5
269.11682	0.5
270.08804	0.3
273.02811	0.3
277.08691	0.3
278.09290	0.4
279.10159	1.0
281.11734	0.8
285.11227	6.2
287.05820	1.9
287.12790	19.9
288.05814	1.8
289.06058	2.5
291.13791	0.6
293.11676	0.5
301.14383	0.7
305.11734	1.5
307.13232	0.7
313.14349	3.8
315.04932	0.4
315.08591	0.6
319.13245	0.8
325.14365	2.0
331.08099	1.3
337.14478	1.5
339.16248	0.4
351.15906	5.8
369.16995	0.8
403.11557	0.3
404.14807	0.4
411.15997	0.3
415.19025	2.7
443.18555	2.4
475.21313	2.9
493.22955	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	1.9
53.03939	1.9
55.01857	2.3
55.05507	5.0
55.87819	1.6
57.03452	2.1
58.62618	1.9
65.03950	2.2
67.05499	8.6
69.03427	4.2
69.07053	4.6
71.01371	2.9
71.01732	4.4
71.05002	3.7
73.02934	2.4
78.04698	1.9
79.05480	12.9
81.03422	13.5
81.07063	10.1
83.04990	2.8
83.08617	1.8
85.02904	3.5
85.06574	2.0
91.05470	15.3
93.07017	7.4
94.04189	2.9
95.04973	6.1
95.08610	15.7
97.02868	2.7
102.12170	1.7
103.05459	5.4
105.07021	7.8
107.04951	20.6
107.08598	3.8
109.02855	2.4
109.06539	3.5
109.10143	11.5
115.05441	6.4
117.07004	13.9
118.04074	1.9
119.04974	3.0
119.08581	4.5
121.06501	3.4
121.10152	3.6
122.03637	4.6
123.04413	7.2
123.08063	9.2
123.11710	3.8
124.05210	5.0
125.05967	2.4
127.03866	2.7
129.06982	5.6
131.04927	7.3
131.08574	4.1
133.06476	6.1
133.10139	2.8
135.04433	2.2
135.08029	3.5
135.11720	2.1
137.05980	58.7
137.09578	2.8
143.04907	3.0
144.05716	4.8
145.06465	27.6
147.04416	5.3
147.08066	3.2
149.06017	2.3
149.09587	2.4
151.07539	83.8
152.04738	3.4
153.05472	4.5
155.06020	2.1
156.05728	6.5
157.06493	4.2
158.07156	2.0
159.08078	10.8
161.05972	7.5
163.03894	6.1
163.07529	9.7
165.09155	6.9
167.07040	100.0
168.07368	12.6
169.07545	4.0
171.08035	2.2
173.05968	30.0
174.06502	2.4
175.07574	4.0
177.05501	3.3
177.09106	11.5
179.07060	3.9
181.04956	8.3
182.05313	4.9
183.05421	2.2
184.05222	2.0
187.07521	11.0
189.05405	2.6
189.09126	5.7
190.06252	16.8
191.07008	6.1
191.09012	3.1
191.10645	20.3
192.07414	2.3
193.08751	2.9
194.07323	2.9
195.08000	3.5
201.09100	2.3
202.06264	4.1
203.06998	3.8
203.08745	2.3
203.10614	3.2
205.08586	46.8
205.12117	9.6
207.06483	4.7
208.05179	7.4
209.08046	2.7
217.08636	23.2
219.08162	4.7
219.10179	3.4
221.05994	3.3
227.10600	2.8
231.07990	2.8
231.13826	2.3
235.09641	8.0
236.04695	3.4
236.08371	2.7
238.06349	3.0
241.08609	5.4
247.07503	6.2
247.09673	13.5
248.08192	4.5
249.09380	2.0
253.08652	3.7
254.05721	5.9
255.06583	2.3
255.10202	4.3
257.18521	2.0
263.10651	4.5
265.10706	5.4
267.06476	3.1
267.10120	2.7
269.08054	20.2
272.06815	2.3
276.07861	2.2
277.08792	2.3
279.09912	3.2
281.08173	2.1
282.05493	2.0
282.08844	7.5
285.07452	2.5
286.08014	2.8
287.09366	3.3
287.12775	5.4
291.09705	3.6
291.12387	6.9
293.07874	3.2
299.09119	4.9
300.06079	2.3
305.08200	2.2
307.09546	4.3
308.10275	2.5
310.08340	4.4
315.08630	40.7
321.13596	3.8
323.09268	3.3
323.12784	8.9
328.09344	4.2
329.10223	13.0
330.10956	38.5
331.11893	5.0
336.09827	2.8
337.10599	4.5
339.12137	3.5
343.11795	8.8
351.12219	11.7
351.15942	3.1
352.13010	2.8
353.09949	3.3
368.12595	4.9
369.13434	3.0
371.14914	5.3
373.12698	4.5
383.14835	17.3
401.15726	10.0
404.14661	54.5
405.14954	2.6
417.15268	2.8
425.15881	3.3
429.29639	3.9
443.17093	5.5
457.18588	14.4
457.29166	2.6
475.19696	28.5
493.19736	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	492.3088
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.6
55.01892	0.3
55.05518	8.9
57.03446	5.9
57.07061	1.2
58.06304	0.6
58.06602	19.8
67.05511	19.8
69.07072	12.2
70.13066	1.7
79.05495	4.6
81.07060	19.2
83.04963	0.6
83.08206	0.5
83.08631	6.0
85.06521	0.7
91.05477	3.2
93.07049	5.1
95.04967	0.7
95.08614	13.9
97.06516	1.3
97.10165	3.2
99.08101	0.4
105.07039	2.3
107.08591	3.1
109.10165	5.4
111.08048	0.6
111.11745	0.5
115.81306	0.4
119.08566	2.2
121.10129	2.2
123.08105	0.4
123.11755	2.1
133.10150	2.2
135.11673	1.7
137.09608	0.5
137.13248	1.1
147.11694	1.1
149.13264	0.6
151.07567	1.1
156.04221	3.4
161.13200	0.8
163.14868	0.5
172.87271	0.4
175.14883	0.8
219.06480	0.4
245.22650	0.6
263.23734	1.0
290.10205	0.4
337.27383	100.0
338.27820	1.8
492.32910	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.0
62.11385	0.3
64.76424	0.3
69.03429	1.9
71.04979	0.7
71.13996	0.5
71.14330	0.6
73.02887	0.5
79.05508	0.6
81.03410	0.5
85.02910	4.0
86.03192	0.4
94.06569	0.7
97.02877	1.6
99.04440	0.5
106.06526	1.0
107.05009	0.4
108.04488	1.7
121.06549	0.4
122.06016	1.4
124.07616	0.5
127.03929	1.0
134.06064	0.4
136.03917	0.3
137.06018	2.0
137.06915	0.4
138.09113	0.6
145.04935	1.0
148.07579	0.5
150.05518	0.5
151.07556	1.0
159.09224	0.4
161.07109	0.8
162.05492	4.6
163.03909	1.5
163.06107	1.6
163.07457	0.6
164.07007	0.6
168.06567	0.9
170.08168	1.2
170.09586	0.6
172.11295	0.5
173.10867	0.6
176.07053	0.5
186.07848	0.5
187.08704	1.2
187.12396	0.5
189.06541	4.3
194.08159	0.6
198.09099	0.9
200.09367	0.5
201.10222	3.0
203.08180	2.3
207.10204	0.5
211.08534	0.4
212.10809	0.4
213.10242	1.9
214.07289	0.5
215.08177	6.1
215.11758	3.6
225.10210	0.5
226.08633	0.6
226.10861	0.5
227.08195	0.4
228.08810	0.8
229.09724	7.7
229.13217	2.1
231.11302	0.7
239.08128	0.8
239.11723	1.7
241.09834	0.8
242.10519	0.5
243.07651	0.9
243.11270	3.2
247.14351	0.5
252.08923	0.5
253.09787	0.5
254.10699	0.4
257.09207	6.1
257.12866	4.5
259.10721	0.8
267.11240	3.1
268.09915	0.5
271.10773	3.6
275.10986	0.6
275.13852	2.8
285.12338	8.9
295.10803	2.4
303.13361	3.2
313.11768	17.5
316.13974	0.5
318.14688	0.5
331.12866	100.0
332.13113	2.0
475.17349	0.5
493.17529	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2718
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	1.4
54.59602	0.7
55.01877	1.1
55.05508	13.1
57.03436	8.0
57.07074	2.3
62.06079	3.2
65.03930	1.7
67.05505	37.4
69.03436	1.3
69.07063	12.2
69.52093	7.2
71.04987	2.4
71.08629	8.2
72.04513	4.0
74.13317	0.7
79.05490	28.7
80.05030	0.8
81.03407	3.4
81.07053	41.4
82.07383	1.5
83.04980	4.2
83.08618	8.2
85.02896	0.9
85.06541	1.9
91.05478	19.1
92.05829	1.2
93.06469	1.7
93.07041	28.1
95.04968	4.4
95.08598	21.7
97.06514	5.7
97.10158	3.5
98.06062	1.1
98.98462	4.0
99.08093	4.5
105.07028	15.1
107.04980	2.5
107.08591	20.5
108.84039	0.9
109.06496	2.8
109.10152	17.2
111.08086	2.8
113.09584	1.1
117.06979	4.7
119.04962	1.4
119.08578	11.8
121.06488	1.0
121.10149	10.6
123.08076	1.7
123.11703	3.1
124.01608	1.2
124.11253	1.3
125.09624	5.8
129.07048	2.3
131.04823	1.0
131.08549	4.0
133.10136	9.3
135.11713	11.9
137.09605	1.1
137.13239	2.8
139.11122	1.4
141.09132	1.0
142.02609	1.0
143.08575	1.7
145.10121	2.8
147.04437	5.5
147.11690	5.4
148.04680	1.6
149.09631	1.5
149.13254	4.9
151.11180	4.6
153.12843	0.9
155.19608	0.9
157.10149	1.9
159.11719	2.4
161.13289	5.3
163.03882	1.5
163.11165	2.1
163.14803	1.7
165.12817	1.3
167.10695	1.5
171.11659	2.1
173.11790	1.3
173.13243	2.4
175.14737	1.1
179.14314	15.2
185.13283	1.1
187.14789	1.0
189.11211	1.2
189.12753	2.0
198.14847	1.3
199.14890	2.0
213.14909	1.5
216.06320	1.5
224.12785	1.3
229.14343	3.8
237.02779	1.1
241.19513	3.7
253.18007	0.9
259.20566	5.2
277.21619	16.1
280.15530	1.4
302.24710	2.7
320.25757	14.6
330.57498	1.0
333.24249	23.5
351.25275	100.0
352.25568	1.4
431.21826	1.5
474.26263	3.0
492.29318	4.7
515.08405	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2719
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.9
55.01876	1.6
55.05511	15.9
56.96573	1.3
57.03189	1.7
57.03440	24.0
57.07066	1.4
59.04989	2.1
62.06073	4.3
65.03946	1.8
67.05501	43.8
67.92913	1.2
69.07062	12.9
69.30434	14.9
70.29371	1.1
71.04989	4.6
71.42623	1.2
71.60389	1.1
79.05489	41.9
81.03423	2.6
81.07056	61.8
82.07413	1.3
83.04990	3.5
83.08623	7.1
85.02893	1.4
85.06526	3.7
91.05476	30.1
91.06010	2.3
93.06472	2.7
93.07043	44.1
95.04961	6.8
95.08605	38.3
97.06508	3.1
97.10156	2.9
98.06078	2.1
98.93916	1.1
98.98472	7.8
99.08124	2.4
105.04559	2.1
105.07035	24.3
107.08595	28.8
109.06512	3.8
109.10150	18.4
111.08087	1.6
117.07021	8.4
119.04943	2.1
119.08578	20.1
121.10133	19.2
123.08042	2.1
123.11678	4.6
124.01646	1.4
125.09618	1.5
128.06334	1.2
129.06996	3.4
131.08553	12.9
131.22388	1.2
133.10130	14.8
135.11687	14.6
137.13245	1.7
142.02673	4.4
143.08563	2.1
145.10121	10.9
147.04431	7.2
147.11700	10.6
149.09610	1.6
149.13258	5.5
151.11089	1.6
153.12706	1.3
157.10121	2.7
157.55721	1.3
159.11684	7.8
161.13243	7.8
163.03902	3.4
171.11708	4.6
173.13324	4.0
175.14876	2.4
177.12665	1.9
185.13255	3.8
187.14859	5.9
199.14948	1.5
201.16367	1.7
205.15869	2.8
216.06331	2.2
219.17471	1.3
241.19444	8.1
259.20560	15.3
277.21606	13.9
280.15503	1.4
293.21121	13.4
302.24768	3.8
307.97672	1.2
315.23169	1.4
320.25836	7.5
333.24222	67.8
334.24652	1.5
351.25293	100.0
358.05579	1.2
369.91373	1.3
431.22208	2.7
474.26105	4.5
492.27512	1.3
515.09113	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.244
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02333	0.4
53.03940	2.2
54.34093	0.4
55.01859	2.1
55.05503	0.7
57.03428	1.3
61.02917	1.3
62.66522	0.4
67.05502	0.7
68.99778	0.7
69.03429	7.7
69.07051	1.3
71.05001	2.8
71.62437	0.9
73.02894	1.7
74.06074	1.4
79.05485	1.0
81.03416	6.7
81.07050	1.3
83.04980	0.9
83.24974	0.5
85.02905	20.8
85.06543	1.2
85.62711	0.4
87.00827	7.2
91.03955	0.7
91.05458	3.3
93.07029	1.8
95.04939	0.8
95.08601	7.9
97.02888	8.8
97.06519	2.8
99.04443	2.8
99.08088	0.9
105.01862	10.4
105.07027	6.1
107.08601	3.3
109.02881	7.5
109.06448	0.7
109.10162	1.1
111.08123	0.6
115.07564	0.6
117.01879	0.8
119.04926	1.3
119.08563	1.6
121.06477	0.8
121.10107	4.0
123.04440	0.7
123.08035	1.2
125.09579	0.5
127.03917	14.4
129.01845	0.7
131.08539	5.1
133.10129	100.0
134.10477	1.3
135.04388	0.7
135.08080	1.5
135.11696	1.3
137.05960	1.5
143.08528	0.9
145.04961	5.2
145.10135	2.1
147.02753	0.6
147.04427	6.2
147.11684	0.9
148.04781	0.9
149.09605	1.2
149.13248	1.4
151.11176	3.4
153.05469	2.1
158.10899	2.9
159.02899	4.2
163.03899	0.6
163.14833	2.4
173.13258	33.1
174.13568	0.6
184.07352	1.8
191.14307	25.4
203.42839	0.5
209.15356	10.0
213.04056	0.6
231.04994	4.9
249.06087	1.4
309.09274	0.6
381.15576	0.8
492.20728	0.6
492.30002	1.5
519.52972	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01850	2.2
57.03176	2.7
57.03437	27.3
57.03920	1.6
57.42295	1.6
60.04524	32.4
61.02913	11.8
69.03425	34.2
70.06593	4.2
71.00818	3.9
71.01363	2.1
71.04983	8.0
72.08157	2.3
73.02913	57.7
79.05475	2.4
79.64488	2.0
81.03406	6.4
81.07065	2.1
83.04978	3.3
84.04494	6.0
85.02900	52.3
87.04465	5.3
88.03990	12.7
91.05486	5.7
93.07038	3.0
95.04969	3.6
95.49467	1.9
97.02886	34.5
98.06051	1.8
99.04471	3.4
103.03951	2.9
103.05447	32.0
107.04943	5.0
109.02874	4.0
109.06548	3.1
110.06047	3.4
111.04417	2.6
115.03918	27.3
117.07056	4.5
119.04914	2.8
120.08115	2.0
121.06516	22.2
123.04448	5.5
126.05482	3.8
127.03918	12.1
129.05449	3.8
131.04921	100.0
133.04961	8.0
134.09691	3.5
135.08073	3.3
136.07552	2.7
137.05974	33.9
139.03868	2.4
143.04941	2.7
145.02832	1.9
145.04961	13.9
145.06418	8.2
146.17679	1.7
149.09612	5.6
150.08955	2.0
150.10040	4.7
151.07547	2.7
152.66864	2.2
153.05461	3.9
154.08652	5.2
155.07024	3.5
162.09105	20.8
163.03867	9.9
163.06119	4.7
163.07526	88.0
163.25792	1.7
165.05473	5.7
165.09157	1.9
168.06488	2.1
170.08171	3.4
175.07593	4.8
176.09293	2.7
176.94482	1.8
179.07040	2.4
180.08615	4.1
180.10194	73.5
181.08601	10.1
184.07297	3.6
192.10175	20.5
198.11241	32.7
213.12276	1.8
259.08170	1.9
299.12894	2.2
312.08850	3.0
330.17041	3.2
342.15433	11.1
354.15448	5.2
360.16476	14.4
474.19742	3.4
492.22110	24.6
509.13864	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	492.2356
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	3.3
55.05506	2.1
67.05481	5.2
69.07054	3.9
71.59235	1.1
79.05468	4.6
81.03381	1.0
81.07055	23.9
83.04964	4.2
83.08574	1.7
85.11546	1.1
91.05463	4.1
93.07027	5.2
95.04947	1.1
95.08611	6.4
97.06521	1.3
100.80168	1.0
101.12871	1.0
105.07030	3.6
107.08604	5.7
109.06525	9.0
109.10143	4.4
111.04444	16.1
113.07573	1.2
117.07006	1.2
119.08572	3.7
121.10138	4.4
123.08099	2.3
123.11642	2.1
125.05978	5.0
131.08595	1.8
133.10121	4.7
135.08051	2.8
135.11652	3.5
137.05972	100.0
138.06305	1.5
145.10089	2.4
147.04366	3.7
147.11682	5.3
149.09578	4.0
149.13248	1.9
151.07549	1.9
161.09610	5.9
161.13254	1.9
163.03906	2.8
163.11188	3.2
165.09073	3.3
175.11200	4.8
175.14723	1.2
179.10649	2.6
181.12149	1.4
193.12201	2.4
203.17940	7.9
213.16437	2.6
221.18939	2.4
231.17464	7.6
249.18472	6.8
277.17984	44.3
295.15909	1.5
295.19049	19.3
320.22095	3.3
333.24219	1.3
344.83041	1.3
351.21655	96.3
352.21796	2.6
431.18326	1.7
469.44711	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	7.2
57.19254	2.2
58.68378	1.9
61.02923	11.5
69.03423	21.2
71.32905	4.4
81.03399	3.8
85.02903	100.0
91.03965	4.9
97.02886	16.7
99.04438	6.9
105.07020	6.0
109.02850	5.1
123.04423	22.9
127.03079	2.8
127.03922	25.4
133.06459	2.5
145.04961	43.5
151.07550	44.5
163.06007	49.4
163.07373	2.7
172.01849	1.8
178.10327	2.0
311.46075	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	492.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71354	0.7
55.01881	0.9
57.01870	0.8
57.03434	13.2
59.06107	1.5
60.04523	100.0
61.02914	3.4
62.05824	1.0
62.06086	11.6
69.03424	10.0
71.01339	2.1
71.22533	2.6
73.02916	26.9
76.04032	1.1
79.05495	1.6
81.03405	1.8
81.07030	1.8
83.38997	0.8
84.04489	3.1
85.02422	1.3
85.02901	17.5
86.03233	0.8
87.04475	1.1
89.57899	0.8
91.05496	4.3
93.07030	2.4
95.04963	1.3
97.02895	15.5
99.04447	1.4
103.05449	1.3
107.04926	3.6
107.08574	1.5
109.02882	2.5
109.06503	1.9
110.06020	2.0
115.03925	13.9
115.05457	1.5
117.06979	1.9
119.04938	2.9
121.06503	18.4
123.04424	2.8
127.03907	5.8
131.04843	1.4
133.04973	3.4
133.06490	2.1
134.09604	2.0
135.04376	0.9
135.08047	1.7
136.07568	2.5
137.05980	31.5
138.09152	1.1
139.07442	1.0
144.51161	0.9
145.04984	5.6
145.06409	4.7
154.08624	1.4
155.06990	3.4
161.05954	1.3
162.09149	14.3
163.06004	2.6
163.07501	13.8
175.07536	1.6
176.09175	2.6
179.06929	1.1
180.06618	1.6
180.10193	22.7
181.08635	5.0
187.07521	2.5
196.09758	1.1
198.11258	15.2
205.08624	1.5
206.10310	1.1
217.08510	2.0
223.01912	0.9
233.08096	1.2
235.09683	1.2
241.06978	1.1
257.71088	1.0
295.10287	2.5
325.12814	2.4
330.31436	0.9
342.15396	6.2
360.16418	2.0
379.64767	0.9
457.16925	1.1
492.20819	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	491.2557
Annotation	Unknow
Peak:m/z	Relative Intensity
61.36691	0.9
67.10104	1.0
71.06384	2.8
80.92326	0.9
81.07048	1.1
154.01041	1.2
160.91570	0.9
183.16154	1.1
186.84235	1.0
189.93813	1.2
212.61580	1.0
270.30194	1.1
491.25378	100.0
492.25818	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	491.2766
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60619	1.2
63.90269	1.2
67.05492	1.7
69.75520	6.6
73.90387	1.2
81.07042	4.9
85.71301	1.1
89.15102	1.3
95.08617	2.7
98.21520	1.2
112.87462	1.1
136.53055	1.3
137.13293	2.0
159.07820	1.9
173.09375	2.7
187.03638	18.2
191.10399	18.5
192.11145	8.0
232.13075	1.7
323.16156	52.0
355.15097	3.3
364.18741	4.4
491.27707	100.0
492.27716	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.3368
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.3
55.05498	1.1
57.07049	0.4
67.05499	3.9
69.03410	0.7
69.07059	0.9
71.04998	0.5
71.59618	0.4
79.05475	0.9
81.03413	0.4
81.07051	4.2
83.04942	0.5
83.08602	0.3
85.02892	0.5
85.06540	1.4
91.05486	1.1
93.07050	1.3
95.04969	0.6
95.08042	0.4
95.08604	3.5
95.19221	0.3
95.98279	0.2
97.02850	0.2
97.06523	0.3
97.10152	0.3
100.45136	0.2
105.07024	0.7
107.04949	0.5
107.08575	1.0
109.02954	0.2
109.06493	0.4
109.10145	6.0
111.08084	0.3
117.07003	0.3
119.08573	2.9
121.06512	0.6
121.10135	0.6
122.07279	1.8
123.08040	0.5
123.11700	7.6
127.03888	0.3
131.08559	0.3
135.04416	0.3
135.08063	0.5
135.11690	0.4
137.05974	0.8
137.09610	11.2
138.09987	0.3
139.07512	0.3
145.02866	0.2
145.10133	0.3
147.04398	0.5
147.08070	0.4
149.09578	0.4
149.13232	0.6
150.06743	0.3
153.09061	0.2
155.10622	0.6
163.03937	1.8
165.09100	100.0
166.09445	0.7
167.07062	0.4
173.11731	0.5
175.11143	0.3
183.10136	0.6
189.12688	0.3
200.99344	0.2
201.11230	2.0
205.12184	0.6
209.19014	0.4
293.24774	0.5
321.24335	0.7
339.25525	1.7
398.18610	0.2
445.33154	0.3
459.27560	0.7
473.32483	0.4
479.18204	0.2
491.29346	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	0.4
53.03946	0.7
55.01861	0.7
55.05504	0.9
57.03437	0.4
62.07577	0.3
65.03937	2.3
66.12398	0.4
67.05503	2.4
69.03398	1.4
69.07050	1.2
70.99115	0.5
70.99439	0.8
71.04969	0.9
78.04710	1.8
79.05492	2.7
81.03387	1.1
81.07054	2.9
82.04208	0.5
83.04957	0.4
83.08602	0.8
85.02887	2.6
91.05473	2.8
93.03380	0.7
93.07010	1.2
95.04959	2.5
95.08606	2.6
97.02864	0.5
97.06512	1.2
97.10170	0.5
101.06032	0.4
103.05466	7.1
105.03381	0.8
105.07008	1.5
106.04162	1.1
107.04945	4.4
107.08567	1.2
108.02106	0.4
109.02874	0.7
109.06490	0.5
109.10148	1.5
110.03655	0.9
111.04439	0.6
111.11722	0.5
115.05452	4.0
117.07013	7.0
118.04150	1.2
119.04919	1.5
119.08553	1.1
120.05726	0.5
121.06477	0.9
121.10152	0.9
123.04427	6.6
123.11713	0.9
124.05221	2.7
125.05981	1.7
127.03925	0.4
127.05465	0.9
129.05513	0.4
130.04164	0.6
131.04941	5.6
131.08601	0.5
132.05733	0.5
133.02814	0.7
133.06479	1.2
133.10066	0.5
134.03654	0.7
135.04387	0.6
137.05954	2.6
137.09593	0.6
142.02585	0.8
143.04907	0.4
145.06483	13.9
146.03609	0.8
147.04384	1.6
147.08003	0.9
147.11656	0.5
148.05162	3.0
149.05960	0.5
149.09584	0.6
149.13237	0.4
151.03922	1.9
151.07561	0.8
152.04674	2.7
153.05476	1.3
155.06006	3.2
157.06487	0.5
160.05125	0.5
161.05992	1.4
163.03905	1.2
163.07526	5.2
165.05481	0.8
165.09122	3.3
167.07033	100.0
168.07393	0.8
171.06555	2.7
173.05971	21.0
175.07533	0.8
176.04695	0.7
177.05348	0.4
177.09052	0.6
179.06969	0.4
181.04945	35.9
187.07535	0.5
190.06302	0.6
191.07021	20.0
193.08662	0.7
195.06519	1.1
201.05525	0.6
205.08618	3.4
207.10162	0.5
209.08086	1.7
233.08075	6.4
235.07510	0.8
235.09610	3.0
241.10760	2.2
255.08665	2.3
265.08749	0.5
265.20993	0.4
267.10077	0.7
281.10388	0.4
283.09668	0.6
295.09540	0.5
304.09955	0.4
318.11176	0.5
319.11563	0.5
325.10776	0.6
327.12247	0.4
355.11646	1.5
367.11673	0.4
372.11996	2.1
381.13123	0.5
385.12912	1.5
386.13596	0.5
387.14392	4.9
399.14270	1.4
417.15387	5.2
461.18066	10.9
491.19125	50.2
492.19299	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1185
Annotation	Kaempferol 3-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
53.03739	0.2
53.03944	2.7
55.01849	0.6
57.03432	0.7
61.02909	0.8
65.03914	0.4
68.99811	0.4
69.03424	7.9
71.04967	0.9
71.38572	0.3
71.38910	0.3
73.02903	0.7
79.05471	0.3
81.03414	10.6
85.02428	0.3
85.02904	4.7
87.04430	0.2
91.05477	0.5
93.07041	0.3
97.02888	4.3
99.04431	1.8
105.03380	0.5
105.07053	0.3
107.04930	0.6
107.08618	0.3
109.02876	7.3
111.00793	0.6
115.03922	0.3
117.07014	0.3
119.04932	1.2
121.02869	2.1
121.10098	0.3
125.05972	0.3
127.03917	5.8
131.04912	0.3
133.02849	0.4
135.04388	0.3
137.02322	0.6
137.05986	1.3
145.04962	1.2
145.06483	0.3
146.84412	0.2
147.04391	3.9
151.03934	0.3
151.07529	0.3
152.04643	0.3
153.01808	3.1
157.06415	0.3
161.05992	0.3
163.03876	0.5
165.01840	1.0
167.07034	1.2
183.02867	0.8
183.06537	0.6
185.05930	0.5
187.06010	6.8
205.07016	0.5
213.05411	1.4
231.06502	0.5
241.04967	0.7
246.33231	0.3
258.05249	1.0
259.06046	0.4
287.05484	100.0
288.05847	1.1
309.11121	0.3
491.19498	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1185
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	0.2
53.03943	2.1
55.01861	0.5
57.03429	0.8
60.04535	0.3
61.02916	0.7
61.53126	0.2
67.49300	0.2
68.42057	0.2
68.99784	0.5
69.03429	8.6
70.21313	0.6
70.21725	0.3
71.01316	0.2
71.04987	0.9
73.02909	1.3
79.05490	0.3
81.03416	11.1
81.07071	0.2
85.02900	5.3
87.04418	0.3
91.05444	0.3
93.07020	0.2
97.02885	4.5
99.04453	2.1
101.85616	0.2
103.03922	0.3
103.05444	0.3
105.03380	0.3
106.06554	1.3
107.01665	0.2
107.04938	0.7
107.06849	0.5
109.02879	8.1
110.03210	0.3
111.00803	0.7
115.03936	0.4
119.04922	0.5
121.02876	2.7
127.03912	6.8
131.04956	1.6
132.05234	1.0
133.02858	0.3
133.04973	0.2
135.04362	0.3
137.02342	0.7
137.05937	0.5
139.03839	0.2
145.04962	1.3
145.06473	0.3
147.04410	1.5
148.07541	0.8
149.07881	0.3
153.01826	3.6
157.06467	0.3
161.05980	0.3
163.03963	0.3
165.01837	1.4
167.07040	0.9
177.21709	0.2
183.02896	0.8
183.06598	0.2
185.05943	0.4
187.06012	7.4
187.07686	0.4
190.08609	0.7
191.08945	0.8
193.04907	0.4
205.07175	0.2
208.09622	0.2
213.05417	1.4
229.04561	0.2
231.06531	0.6
241.05011	0.8
258.05249	0.8
258.08261	0.2
259.06033	0.4
269.04401	0.3
287.05487	100.0
288.05835	1.8
329.06512	0.2
502.84122	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.2929
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.9
55.05517	5.9
57.03446	6.0
57.07071	0.9
58.06600	29.2
65.03933	0.9
65.76603	0.8
67.05505	25.3
69.01095	0.7
69.07082	5.7
71.60088	1.6
79.05497	13.1
81.06575	1.5
81.07055	22.2
83.05006	1.4
83.08624	2.8
91.05486	6.3
93.07041	14.2
95.04984	1.3
95.08602	17.2
97.06506	1.0
105.07016	3.8
107.08602	6.2
109.10157	6.0
119.08582	2.9
121.10149	5.2
121.60735	0.8
123.11703	1.1
131.08597	2.3
133.10098	2.1
135.11668	1.8
137.13222	0.9
147.04424	1.6
149.13242	0.9
156.04221	3.4
173.13188	0.9
224.63419	0.8
277.78958	1.0
335.25803	100.0
336.26147	1.7
515.06506	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33468	0.4
57.03403	0.7
58.06570	0.5
60.04527	2.4
69.03384	1.4
70.39249	0.4
71.05001	1.9
71.58807	0.8
72.08115	0.4
73.02892	1.0
81.57555	0.4
83.04910	0.4
84.04453	0.5
85.02904	4.1
87.04458	0.7
97.02834	0.9
97.99856	0.4
107.04896	0.9
115.03849	0.5
123.04388	0.5
126.10230	1.1
127.03911	0.6
129.05453	1.0
129.82710	0.4
137.05925	1.0
153.05376	0.6
153.06987	0.4
163.03911	0.4
165.07001	1.7
166.07745	1.4
167.08409	0.5
176.06137	0.4
177.07037	0.8
178.08720	0.7
179.07127	0.8
179.08533	3.2
181.06451	1.4
181.10091	1.7
189.06950	0.9
190.07738	1.8
191.08548	12.6
193.06477	1.1
194.07259	3.0
195.07980	1.5
196.09644	1.6
202.07767	0.5
205.06490	4.8
206.07175	0.9
207.08051	8.2
208.08798	2.3
209.09595	7.5
210.06712	1.1
211.07498	0.6
217.06387	0.8
218.07214	1.3
219.08032	10.8
220.08728	0.5
221.05922	3.4
222.06746	15.3
223.07564	2.7
224.08313	1.0
225.09099	2.5
233.05951	3.3
234.06422	0.6
235.07549	3.3
236.08305	3.5
237.02805	0.6
237.09088	21.1
239.07024	2.0
247.07495	3.9
248.08209	0.6
249.05469	0.9
250.06287	3.2
251.06906	1.0
251.10748	0.6
252.07838	1.3
253.08603	3.5
255.10086	1.8
263.07013	1.7
264.07794	1.3
265.08582	66.2
266.09186	3.1
267.06509	5.5
267.10095	2.5
268.13495	0.7
269.11591	0.7
270.08691	0.9
275.59750	0.4
279.10172	3.1
282.08847	26.5
285.11108	0.8
296.12753	0.8
297.11197	73.6
298.11472	1.5
299.12622	0.9
312.12338	1.9
313.13095	1.8
328.15405	100.0
329.15723	2.0
371.04272	1.2
490.20709	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	490.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	1.0
55.01866	1.1
55.05506	2.2
57.03431	9.7
61.02919	1.2
67.27554	0.5
69.03419	6.3
69.65357	1.2
69.65763	2.9
71.01349	0.9
71.04990	54.4
73.02926	1.8
73.06514	0.6
75.04504	2.9
81.03416	4.0
81.07038	1.7
83.04976	13.0
85.02900	100.0
87.04456	2.4
93.23745	0.6
95.04954	0.6
95.08621	0.8
97.02883	3.1
99.04447	3.0
100.11250	1.0
101.02401	0.6
101.06007	2.5
103.03952	1.3
103.05485	0.9
105.07014	2.3
109.02902	1.4
109.10165	0.7
111.04437	5.3
121.10194	0.6
124.05181	3.0
127.03912	9.5
129.05475	31.2
131.04935	0.6
133.06502	2.3
133.10146	0.7
137.05965	6.2
138.06287	1.2
144.06569	0.9
145.04955	8.6
147.04414	2.4
147.06488	3.7
151.07570	0.9
162.07643	2.4
163.03969	0.9
163.06009	19.8
163.07368	1.3
164.09189	0.8
165.09113	13.2
167.07033	0.8
173.04477	3.9
180.08699	1.0
180.33302	0.6
181.07047	0.6
182.15372	1.1
199.06026	0.8
203.05464	1.3
211.50587	0.6
227.09135	0.9
231.10329	0.8
255.08636	12.6
260.15198	0.6
273.09680	1.1
291.10727	1.8
308.13428	0.8
309.11792	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3574
Annotation	Cimigenol
Peak:m/z	Relative Intensity
53.03934	1.5
55.01847	1.2
55.05513	11.7
57.03433	3.2
57.07077	1.1
59.04987	0.8
67.05502	39.1
67.25689	1.0
69.07068	10.3
71.04982	1.9
73.31812	0.8
79.05494	20.1
81.07056	26.5
83.04992	1.4
83.08640	5.2
85.06516	1.2
91.05480	14.8
93.07041	24.1
95.04968	3.2
95.08611	16.7
95.09223	0.9
97.06541	1.4
97.10143	2.5
105.07030	16.3
107.08597	12.5
109.10155	20.0
111.08092	1.4
117.07023	6.5
119.08576	19.5
121.10151	10.6
123.08018	1.2
123.11678	1.5
125.09624	1.0
129.07036	2.8
130.27196	1.0
131.08571	12.1
133.10124	12.4
135.11691	6.5
137.09566	1.4
139.11191	1.6
141.06963	1.2
143.08554	4.5
145.10109	12.4
147.11682	10.2
149.13274	3.1
155.08585	2.4
155.10750	1.0
157.10120	5.7
157.12294	0.9
159.11696	8.0
161.13264	3.6
163.14825	1.4
165.12816	0.9
169.10126	2.7
171.11673	5.2
173.11765	4.3
173.13278	6.6
175.11234	0.8
175.14862	2.4
183.11707	2.8
185.13292	3.4
187.14845	2.6
197.13275	2.8
199.14876	2.5
201.16437	1.3
209.13319	1.0
211.14880	1.5
213.14783	1.8
213.16580	1.6
225.16348	1.8
227.17993	1.3
239.18130	1.6
241.19614	0.9
255.21445	1.0
259.20670	1.1
261.22223	2.9
267.21631	0.8
271.20486	1.0
273.22192	1.2
285.22000	1.2
297.22110	1.1
299.23898	1.2
303.23129	1.1
317.24655	1.2
339.15808	1.9
377.27005	2.6
379.29974	7.8
390.39297	1.0
397.30951	12.5
415.32147	3.3
435.32468	1.2
471.34753	11.5
489.26343	11.4
489.35791	100.0
490.36099	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	489.3572
Annotation	Orthosphenic acid
Peak:m/z	Relative Intensity
53.03948	1.5
55.01872	1.1
55.05509	13.2
57.03424	2.1
57.07076	2.1
57.71242	0.9
59.04985	1.9
65.03934	2.7
67.05500	58.4
69.07063	10.4
71.05002	1.5
79.05491	24.7
81.07054	32.3
83.05005	1.3
83.08621	7.2
85.06538	2.1
91.05476	18.1
93.07037	26.0
94.79197	0.9
95.04967	3.2
95.08599	16.3
95.27060	0.8
97.06538	1.6
97.10166	2.9
105.04513	1.3
105.07024	18.1
107.08593	13.9
109.06530	1.6
109.10149	34.5
111.08068	2.8
117.07014	6.1
119.08582	17.4
121.10147	11.9
123.08060	1.7
123.11720	1.8
125.09637	1.2
129.07028	2.3
131.08559	9.9
133.10114	11.5
135.11681	7.0
136.93918	0.9
137.09616	1.6
137.13234	1.0
139.11137	1.2
141.07025	1.3
143.08604	3.9
145.10129	10.5
147.11653	9.4
149.13269	3.6
155.08572	1.7
157.10150	3.3
159.11655	7.5
161.13286	3.3
169.10060	1.9
171.11729	3.4
172.53940	1.0
173.11752	9.3
173.13287	5.4
183.11711	2.2
185.13266	3.5
187.14880	2.8
197.13242	1.9
199.14847	1.9
211.14778	2.3
213.16510	1.3
259.20605	2.2
261.22263	3.7
277.21484	1.3
277.55496	1.0
285.22073	1.6
287.23770	1.1
299.23657	1.4
317.24783	2.3
333.24438	1.3
337.14096	2.6
379.29929	5.9
397.31070	9.8
415.32202	2.2
433.33191	1.7
471.34799	9.7
489.26221	13.0
489.35822	100.0
490.26843	1.5
490.36270	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	489.3423
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.1
53.77145	1.7
55.01858	3.0
55.05506	19.5
55.60714	1.4
57.03431	4.3
57.07080	9.9
59.04997	2.2
61.02903	1.7
61.74030	2.0
65.03948	2.5
67.05505	26.6
69.03426	8.1
69.06719	2.9
69.07067	45.3
70.90927	3.7
71.04990	4.7
71.08643	1.9
79.05489	17.3
81.03399	4.6
81.07053	100.0
83.04980	2.3
83.08614	16.9
85.02901	25.8
85.06541	25.3
91.05470	9.9
93.07037	33.8
95.04936	3.7
95.08602	68.9
96.08944	1.7
97.02894	5.6
97.06524	5.1
97.10166	10.2
99.04391	2.0
99.08087	19.3
103.05430	1.9
105.07026	9.6
107.04984	2.1
107.08591	34.2
109.02893	3.3
109.06479	2.3
109.10149	47.4
111.08076	7.1
111.11705	10.2
113.09639	6.0
115.05441	1.7
119.08577	9.7
121.06528	2.2
121.10137	24.1
123.11697	46.1
125.09650	3.5
127.03956	4.7
127.11179	3.8
131.04889	2.4
133.10110	5.4
135.08017	1.9
135.11684	25.6
136.90547	1.6
137.05966	6.8
137.09607	4.5
137.13254	9.5
139.11174	6.4
145.04977	3.0
145.10167	4.2
147.04391	2.2
147.11684	5.9
149.09628	1.9
149.13254	27.3
151.07613	2.2
151.14799	3.8
153.12767	9.7
159.11676	2.3
161.05936	2.2
161.13237	4.7
163.03905	5.0
163.07393	1.8
163.11214	3.3
163.14822	17.8
165.09099	22.2
167.07011	10.9
173.06004	2.3
175.07588	3.0
175.14845	2.8
177.16411	6.4
181.04961	4.7
187.07645	2.3
189.16357	1.8
191.17963	13.8
195.17419	2.1
203.18050	2.9
203.71878	1.5
205.19495	2.1
209.18999	27.2
213.08725	1.5
217.19531	3.5
223.20425	2.8
227.20013	24.0
235.20468	2.4
273.25781	8.8
291.10251	1.6
291.26843	30.3
309.17480	2.4
309.27863	53.5
327.11765	1.8
327.18558	2.9
327.29068	2.8
383.20688	1.8
459.16516	2.8
489.17633	9.5
489.23898	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	489.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	1.0
54.00039	0.8
55.01863	1.0
56.53973	1.0
65.03927	3.9
67.05502	3.5
69.03416	1.5
69.07072	1.4
69.30586	8.2
69.31000	1.6
71.04984	1.6
78.04698	2.6
79.05476	4.2
81.03411	2.4
81.07044	3.6
83.08615	1.0
85.02893	3.6
89.05131	0.8
91.05481	8.6
93.07029	3.0
95.04969	3.7
95.08601	3.1
97.06535	1.4
103.05453	3.8
105.07050	1.9
106.04184	1.8
107.04954	9.9
107.08586	1.0
109.02870	0.9
109.10161	3.0
110.03664	1.8
111.04429	2.0
115.05453	8.2
117.07015	6.5
118.04160	1.2
119.04939	3.4
119.08556	1.2
120.05728	1.7
121.06495	2.6
121.10166	1.1
123.04436	6.7
123.11738	1.3
124.05238	2.4
125.05974	2.3
127.05441	1.6
129.07051	1.0
131.04926	4.3
133.02815	0.9
133.06480	1.6
133.10229	0.8
135.04434	3.4
135.11693	0.9
137.05956	6.1
137.09647	0.9
142.02516	1.1
143.04901	0.9
144.05643	1.0
145.02939	1.0
145.06485	10.2
147.04420	3.1
147.08023	2.2
147.11676	1.4
148.05182	8.1
149.05913	1.4
151.03900	1.7
151.07535	10.6
152.04671	2.9
153.05476	1.2
155.06047	2.5
159.08081	1.2
160.05177	1.3
161.05978	3.8
163.03883	5.2
163.07532	2.4
165.05482	10.8
165.09149	1.5
166.06287	2.8
167.07040	98.2
171.06497	4.3
173.05977	16.7
175.07562	2.4
177.05421	1.5
180.07869	1.8
181.04955	67.2
183.88232	0.8
190.06232	1.2
191.07014	10.6
201.05510	1.0
203.07047	2.6
205.05014	2.4
205.08556	5.2
214.06369	0.9
220.07349	7.9
233.07993	4.5
235.09709	6.1
239.09171	10.4
253.07057	2.0
284.68268	1.0
305.10248	2.3
323.09244	1.0
325.10919	1.0
355.11691	3.1
370.14246	1.0
385.12744	5.4
386.13382	4.1
401.12296	1.2
415.13849	1.3
416.14651	13.4
459.16565	17.6
489.17563	100.0
490.17838	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2401
Annotation	Ala Asn Glu Arg
Peak:m/z	Relative Intensity
69.45632	14.4
77.28818	1.5
82.45536	1.6
457.10858	1.4
489.24020	100.0
490.23871	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2399
Annotation	Ala Asn Glu Arg
Peak:m/z	Relative Intensity
50.10939	0.2
55.30752	0.2
58.58761	0.3
63.94045	0.3
71.61059	0.4
71.61447	0.4
73.88988	0.3
117.36524	0.3
195.06721	0.2
228.83334	0.3
301.55481	0.4
353.11176	1.5
394.14020	0.3
489.24017	100.0
490.24472	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3422
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.5
55.01869	2.1
55.05260	1.3
55.05508	15.9
57.03427	2.3
57.07068	6.9
61.02919	2.6
63.37006	0.6
63.69615	0.6
65.03928	1.5
67.05502	31.0
69.03423	6.2
69.07067	29.2
70.15369	1.5
70.15765	1.5
71.04987	2.2
71.08617	2.1
73.02916	1.2
75.42957	0.7
75.56395	0.7
77.39849	0.6
79.05492	15.1
81.03425	1.7
81.07051	100.0
82.07367	1.0
83.04991	1.0
83.08615	13.2
84.51987	0.6
85.02902	20.0
85.06541	24.2
85.10175	0.9
91.05469	7.5
93.07039	30.6
95.04971	2.3
95.08602	88.7
96.08917	1.5
97.02880	4.7
97.06512	1.7
97.10169	10.1
98.21497	1.2
99.04446	1.1
99.08090	25.7
99.08740	1.3
105.07023	9.7
106.05179	0.7
107.04943	0.9
107.08592	34.8
109.02875	2.0
109.06495	0.9
109.10151	56.8
111.08062	4.3
111.11714	7.7
113.09644	8.1
115.11234	0.8
117.06995	0.8
119.08574	10.2
121.10138	27.3
123.04386	0.9
123.11701	31.8
125.09637	3.5
125.13226	1.8
127.03902	3.6
127.11178	4.2
129.12741	1.8
131.08600	1.1
133.10124	7.2
135.04427	0.7
135.11685	20.5
136.12207	0.7
137.06010	1.6
137.13249	14.4
137.14233	1.1
139.11205	1.8
139.14903	0.9
139.30240	0.8
141.12747	0.9
143.14294	0.8
145.04994	3.3
145.10101	1.5
147.11673	7.2
149.13252	41.8
151.14839	5.3
153.12767	2.5
155.14297	2.2
159.11726	1.2
161.13284	7.3
163.03893	4.8
163.14813	27.7
164.04211	1.1
165.12845	1.1
165.16379	3.5
167.14319	3.6
169.15916	1.3
175.14853	3.6
177.16376	14.2
179.17932	2.3
181.15939	2.8
183.17407	1.5
189.16394	4.2
191.17903	7.9
193.19580	1.7
195.17455	3.8
197.18999	4.1
203.17967	6.4
205.19504	1.9
207.17464	1.2
209.19020	3.7
211.20638	2.5
217.19505	9.2
219.21143	1.5
221.18976	2.5
223.20627	1.9
231.21094	1.9
233.22678	1.1
235.20586	5.6
245.22643	1.1
247.24196	4.7
261.25793	1.1
265.25281	4.6
273.25763	16.6
279.26770	3.3
291.26819	43.1
306.18088	0.7
309.18930	0.7
309.27853	16.1
327.28989	2.9
341.76157	0.7
385.64438	0.7
417.30197	1.0
489.26724	38.8
490.27042	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	488.7472
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.3
55.05514	3.8
56.96294	0.9
56.96562	13.7
65.03921	1.3
67.05507	11.0
69.07055	3.2
71.60342	1.2
74.96624	0.8
79.05487	25.4
80.05814	1.2
81.07056	9.6
83.04923	1.4
87.42922	0.7
91.05475	20.5
92.05800	1.2
93.07039	100.0
94.06903	0.7
94.07394	6.2
95.04969	7.4
95.08598	6.2
105.07025	6.2
107.08588	90.0
108.08920	7.2
109.06519	2.0
109.10140	7.9
116.83336	0.9
119.04912	3.4
119.08575	2.3
121.10182	0.8
122.03577	1.1
133.10141	1.9
135.11685	66.4
136.12039	6.0
137.05975	12.5
137.06950	1.5
138.06244	0.9
138.58264	0.9
147.04398	19.6
147.11673	0.9
148.04741	2.4
151.11191	0.9
153.12761	0.9
163.03810	0.9
165.05476	1.1
176.96680	0.8
187.14836	2.0
195.03224	1.2
197.01143	1.3
201.16341	1.1
203.00278	1.6
209.01218	1.1
211.02763	2.9
213.04395	6.6
221.01231	2.3
226.11081	5.7
239.02248	35.9
240.02579	1.3
244.12212	3.7
254.60313	1.9
257.03317	44.4
258.03452	1.0
262.03888	4.6
275.04239	1.2
280.04865	5.1
327.14233	1.6
330.66379	4.4
336.14975	1.6
336.64972	0.8
339.05463	4.9
344.15192	2.5
353.06891	1.0
357.06448	19.1
358.06592	2.5
362.16321	1.7
373.13254	2.5
375.07520	1.8
380.07974	2.9
385.05905	3.5
391.14471	1.2
403.06989	5.7
408.07437	1.0
506.19284	1.6
507.19925	1.1
508.20062	43.5
509.20407	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	489.1759
Annotation	Nortryptoquivalone
Peak:m/z	Relative Intensity
56.96562	1.1
57.03388	1.0
65.03930	3.6
67.05494	2.8
69.03420	2.1
69.07066	2.1
69.30340	13.4
71.04990	1.3
78.04696	3.0
79.05482	4.5
81.03426	2.1
81.07049	6.3
82.04192	1.6
85.02892	5.5
85.06538	1.3
91.05462	7.8
92.06278	2.2
93.07048	2.6
95.04971	3.0
95.08612	5.0
97.06543	2.4
103.05443	5.3
105.07026	2.9
106.04151	1.7
107.04951	12.0
107.08569	2.1
108.02060	1.0
109.02866	1.5
109.10137	3.8
110.03674	2.2
111.04417	2.2
115.05427	6.7
117.07013	5.2
119.04937	3.4
119.08610	1.9
120.05696	1.3
121.06541	2.1
123.04449	6.8
124.05211	4.2
125.06016	1.8
127.03926	1.5
131.04941	4.3
133.06493	1.6
135.04391	2.3
137.05957	5.9
137.13251	1.7
142.02632	1.5
145.06480	14.5
147.04419	4.4
147.08051	2.3
147.11658	1.1
148.05199	8.5
149.13382	1.6
151.03918	1.5
151.07545	11.2
152.04689	1.7
153.05415	1.7
154.06207	1.4
155.06023	1.2
159.04416	1.3
161.05983	2.9
163.03958	2.3
163.07530	2.4
165.05492	11.5
165.09061	2.5
166.06241	2.5
167.07031	100.0
171.06516	4.4
173.05986	15.8
173.73642	1.0
175.07584	1.6
179.07037	1.4
180.07878	1.6
181.04944	59.9
191.07019	7.6
203.07069	3.7
205.04974	2.2
205.08563	6.4
220.07309	7.5
221.08131	1.4
233.08174	4.6
235.09703	4.8
239.09122	9.8
253.07111	1.7
305.10214	1.5
340.52423	1.1
355.12006	3.0
385.12854	4.4
386.13641	4.6
392.28482	1.2
416.14685	13.0
429.15411	1.4
459.16559	17.2
489.17563	92.6
490.17624	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.1593
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	2.2
56.96552	8.5
57.07071	6.1
67.05495	10.8
69.07080	2.5
71.04972	2.0
71.60974	3.9
79.05492	4.7
81.07054	72.2
81.89635	1.8
85.02917	1.9
91.05468	3.3
93.07075	2.9
95.04925	1.8
95.08604	13.3
97.02934	2.3
98.97591	8.1
105.07040	4.7
107.08603	3.3
109.10155	3.7
111.08049	2.5
116.98637	11.1
123.11704	100.0
124.12040	1.9
134.99663	11.8
135.04410	3.0
145.02797	3.5
153.00710	3.1
158.01292	1.9
163.03897	18.1
201.78268	1.5
211.02800	3.9
237.00732	20.8
243.09105	3.0
255.01724	21.8
260.02246	3.7
261.10101	2.5
267.09021	3.0
273.02826	21.4
278.03384	2.5
285.10168	3.1
296.04401	2.3
308.70505	1.7
367.18204	2.6
369.09845	2.0
387.11063	6.1
429.12085	2.4
435.09918	2.0
447.13223	47.3
465.14346	62.5
466.14413	2.2
488.15976	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	487.3261
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42668	3.1
53.03947	5.0
55.05512	20.0
57.03429	5.5
57.07074	8.3
59.05022	3.6
59.62864	3.4
60.03307	3.4
61.02924	4.3
61.98774	3.0
65.03925	3.9
67.05500	34.8
69.03423	15.9
69.07067	30.7
70.06579	6.4
70.19858	16.3
70.77213	3.6
70.96365	4.0
71.04985	15.4
71.89317	3.4
77.25491	3.5
79.05497	24.8
81.03411	9.6
81.07056	94.9
83.08614	19.6
85.02903	43.1
85.06539	25.4
86.09678	7.3
91.05463	20.8
92.75011	3.5
93.07047	47.4
95.04969	6.4
95.08605	100.0
95.14852	4.0
97.02890	11.5
97.06533	6.4
97.10154	7.6
98.97584	5.4
99.08088	10.8
105.07032	32.8
107.04940	21.0
107.08599	38.5
109.02871	5.7
109.06501	6.7
109.10152	60.1
111.11712	8.4
112.07602	4.3
113.09634	6.8
117.07027	5.1
119.08578	32.5
121.06473	4.1
121.10152	40.6
123.11694	23.3
125.09646	8.2
127.03905	8.0
127.11185	4.8
129.05467	4.0
131.04916	4.5
131.08569	7.1
133.06496	4.6
133.10133	26.2
134.59695	4.2
135.11691	31.4
137.09642	7.7
137.13211	6.1
139.11157	5.9
145.02855	6.8
145.10120	13.2
147.06360	3.6
147.11688	28.6
149.09663	5.7
149.13245	30.1
151.07382	4.3
151.14774	4.9
159.11681	18.7
161.13252	22.5
163.03918	40.0
163.14851	18.1
165.12825	6.1
173.13274	10.2
175.14868	11.1
177.16379	8.0
179.14267	4.0
179.17998	6.1
187.14836	9.8
189.16388	12.2
190.08549	3.8
191.17889	4.1
194.11809	4.7
201.16411	6.8
203.17981	4.0
207.13879	6.9
207.17284	4.2
243.13638	4.1
271.24231	18.2
277.25311	7.6
287.05609	6.1
289.25223	39.4
295.26437	7.9
307.26254	23.9
308.27811	3.8
325.27249	25.9
348.89267	4.2
356.16992	13.1
358.98355	5.1
366.40710	4.4
411.16937	4.2
487.21677	14.1
488.21896	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	487.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	0.3
55.05504	0.3
57.03432	1.2
61.02919	0.3
67.02730	0.2
69.03413	1.0
69.47960	1.8
70.06571	0.5
71.04988	5.8
73.02901	0.5
74.74786	0.2
75.04470	0.4
81.03405	0.7
82.80307	0.2
83.04987	1.1
85.02901	9.3
85.07651	0.8
89.03894	0.5
91.05444	0.2
95.04926	0.2
97.02877	0.9
104.36068	0.2
105.07040	0.3
107.04934	0.5
109.02876	0.5
111.04424	0.7
117.03383	0.5
118.97160	0.2
121.06500	1.3
123.04430	5.3
123.05318	0.4
127.03896	0.7
129.05469	2.4
133.02847	4.8
135.04399	2.2
145.02831	0.8
147.06526	0.5
151.03891	2.4
158.97475	0.2
163.02530	0.5
163.03905	8.4
176.98373	0.3
179.03383	100.0
180.03777	1.1
211.00507	0.3
216.97772	0.2
234.98970	0.8
239.92308	0.3
267.06531	0.3
276.86328	0.2
276.99826	0.2
325.08984	0.4
337.03696	0.5
341.08646	7.0
355.04758	1.9
408.80017	0.2
487.13678	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.8
55.01863	1.6
57.03423	2.6
61.02921	1.0
67.33011	0.7
69.03423	13.2
70.06570	0.6
71.01334	0.9
71.04989	5.0
71.59227	1.1
73.02905	0.9
79.05449	0.6
81.03416	15.7
84.08112	0.7
85.02903	3.9
86.09663	0.7
89.03906	0.9
93.04026	0.7
95.04902	0.6
97.02860	1.6
99.04446	6.5
107.04989	0.9
117.03406	1.1
117.05458	1.9
118.06499	3.0
120.08104	1.2
123.04420	0.7
127.03931	1.2
135.04457	3.7
136.07568	1.3
145.02841	3.3
145.07622	4.2
147.09175	4.4
163.03902	31.7
173.07085	8.5
175.08679	6.2
179.03307	0.8
181.04881	0.8
185.07520	0.7
191.08147	100.0
213.10120	0.8
232.33263	0.7
233.09218	1.3
245.55235	0.6
277.93591	0.7
289.11673	2.1
307.09201	1.3
307.12857	27.3
325.13916	78.3
345.44733	0.6
487.20508	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.3213
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07072	1.9
57.53077	1.0
61.02914	1.1
61.31124	0.9
67.05505	4.5
69.07056	1.7
71.00089	0.9
71.57948	1.6
79.05488	5.6
81.07052	100.0
83.59907	1.1
91.05448	1.5
93.07030	2.8
95.08601	17.4
105.07027	2.1
107.08580	12.8
109.10148	5.8
119.04934	1.3
123.08099	1.1
123.11698	6.6
133.10127	3.7
137.13249	78.5
140.93567	0.9
147.04391	8.3
151.11197	14.2
165.05457	2.6
171.18004	1.0
186.14943	0.9
190.89429	0.9
195.08092	1.4
201.05486	3.5
207.38901	0.9
215.07016	1.1
237.09018	2.3
297.14816	14.7
301.17932	1.1
314.27795	2.9
315.15921	17.8
375.35663	1.0
433.27286	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	487.1212
Annotation	Tetracenomycin X
Peak:m/z	Relative Intensity
54.76791	0.9
69.03423	1.2
71.53339	1.8
73.02907	1.0
85.02883	1.4
94.63535	0.8
97.02898	1.7
98.97578	2.4
109.50430	0.8
112.99187	1.2
115.89019	0.8
116.98591	1.7
121.06480	1.4
121.38377	1.1
128.13519	1.0
128.98592	1.3
131.00186	3.1
131.01842	0.9
133.03476	3.2
134.99741	1.1
137.05945	1.0
143.01891	1.1
149.01195	1.9
159.05038	3.1
159.38263	1.0
173.01239	1.5
173.02823	1.6
177.00732	1.2
177.06136	1.7
188.90559	0.9
191.02220	1.2
195.07135	2.4
211.04689	1.1
219.01775	1.7
219.07199	1.2
221.08707	1.1
231.07085	1.8
237.02901	3.0
240.16971	0.8
245.05217	1.4
259.07559	1.1
272.06503	1.2
275.06149	2.4
293.07333	2.5
295.12405	2.2
321.10318	2.5
333.10904	1.2
337.08221	2.7
355.09116	2.6
390.15234	1.0
469.11731	1.5
487.12036	100.0
488.12296	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	486.3213
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	1.3
57.07073	1.2
67.05494	5.8
69.07064	1.4
70.23324	3.2
79.05508	5.2
81.07055	100.0
91.05454	1.6
93.07043	2.5
95.04977	1.3
95.08605	16.7
105.07025	1.0
107.04960	1.1
107.08601	12.2
109.06532	1.8
109.10147	5.5
123.08015	1.1
123.11681	6.5
125.43555	0.7
133.10156	3.9
135.11734	1.9
135.78235	0.7
137.13252	69.0
139.44225	0.7
147.04393	7.3
151.11154	12.3
151.12134	0.9
165.05525	1.9
169.12209	1.2
195.08089	1.0
201.05481	2.1
237.09158	1.5
279.13577	0.9
297.14862	15.3
302.99878	0.8
314.27713	1.8
315.15897	15.9
433.27454	2.4
435.71674	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2874
Annotation	Ardisiaquinone E
Peak:m/z	Relative Intensity
51.95881	0.9
54.80191	0.8
55.05504	2.6
57.03436	6.4
57.07074	22.5
62.15506	0.8
67.05498	4.5
69.07067	5.5
71.08630	15.2
74.83223	0.8
79.05488	1.1
81.06728	0.7
81.07061	8.2
83.08617	5.4
85.10176	8.2
88.49750	0.9
93.07040	1.0
95.08602	11.3
97.10159	1.8
98.98460	3.9
107.89625	0.8
109.10155	4.8
112.58754	0.8
123.11674	1.2
135.11635	1.1
137.13255	1.0
147.04407	2.4
152.17467	0.9
155.01059	2.3
165.05531	0.8
173.02142	1.0
239.23691	1.0
257.24841	1.6
313.27350	100.0
314.27744	2.1
406.27289	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2876
Annotation	Ardisiaquinone E
Peak:m/z	Relative Intensity
55.05512	2.3
57.03433	7.0
57.07076	23.3
67.05494	4.2
69.07080	4.6
69.81950	4.2
71.08635	18.6
81.07066	6.3
83.08614	5.3
84.49627	0.8
85.10185	10.4
89.06004	0.9
91.05503	1.7
92.54469	0.8
95.08608	9.7
97.10145	2.2
98.20805	1.0
98.98473	3.4
102.12427	0.9
103.07607	1.6
109.10172	4.3
123.11691	2.7
133.10130	1.1
146.70955	0.9
155.01073	2.5
219.55386	0.9
239.23682	1.2
257.24872	1.7
266.25760	0.9
313.27359	100.0
318.49957	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.3216
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.2
56.54642	0.9
57.07080	1.1
59.05008	2.5
65.03944	0.9
67.05501	4.0
69.07068	1.7
70.02743	2.8
70.03156	2.7
73.45642	0.9
79.05491	3.1
81.07059	100.0
83.08629	1.2
87.04476	1.5
88.15923	0.8
91.05473	7.0
93.07047	25.2
95.04937	1.4
95.08604	12.0
96.38940	0.9
105.07018	5.1
107.08594	4.2
109.10175	2.7
111.08083	40.4
123.11668	2.5
131.72391	0.8
133.10141	18.5
133.11076	1.5
134.10483	3.2
135.11737	1.1
137.13258	90.1
138.13513	0.9
147.04424	4.6
151.11154	5.0
153.53015	0.9
154.39612	0.9
165.05475	2.5
195.08000	1.9
197.05945	1.4
200.95045	1.0
211.07504	1.2
215.07051	3.6
223.07564	4.2
241.08611	1.7
261.12778	2.0
271.46127	0.9
279.13831	10.0
297.14899	17.9
301.18155	1.9
483.84290	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1935
Annotation	Marchantin J
Peak:m/z	Relative Intensity
54.04723	0.8
55.05505	1.2
58.07462	0.8
59.48696	0.7
67.05474	0.8
69.07088	0.7
71.60641	1.9
79.05497	1.8
81.07057	4.3
91.05486	3.0
93.07053	5.4
95.08620	0.9
105.07005	1.3
107.04951	1.0
107.08596	7.1
109.06507	1.0
109.10146	1.7
119.04931	2.7
133.10124	1.1
135.11691	4.7
147.04372	6.6
171.23195	0.7
187.03662	21.9
216.97694	0.7
228.06322	1.5
280.14041	1.0
308.93164	1.2
311.25778	1.4
313.26627	3.0
317.18277	1.1
321.14621	100.0
322.14972	1.3
328.69910	0.9
362.17413	1.7
441.20416	3.0
485.19363	88.7
486.19785	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	485.1632
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96561	1.8
67.13976	0.7
69.03425	0.8
71.60462	1.4
85.02895	2.6
91.05509	0.8
98.97589	2.7
116.98595	1.4
120.29964	0.8
128.95462	0.7
131.00182	0.9
133.03436	2.4
134.99629	1.3
135.04410	0.8
137.05995	1.8
146.99725	1.3
149.01242	2.2
158.99590	0.9
161.01225	2.1
161.02934	1.0
163.03859	4.7
173.02892	0.9
177.00729	0.9
195.07188	1.1
213.00529	0.9
219.01723	1.2
219.07188	0.9
231.07170	1.5
237.02730	1.8
242.04462	0.7
269.05444	1.3
293.07239	2.6
309.05008	1.0
311.06589	1.3
317.08380	2.0
321.09503	1.4
399.17325	0.8
407.08481	0.9
425.09610	0.8
453.13657	38.9
485.10446	20.7
485.16193	100.0
486.16296	2.6
496.65741	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.4724
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	1.5
57.06815	1.2
57.07072	10.9
58.06593	0.8
64.42164	0.7
67.05496	1.7
69.07069	1.7
70.06593	9.1
71.06879	1.2
71.07220	1.4
71.08616	5.0
81.07036	2.5
82.07379	0.8
83.08608	1.7
85.10177	2.7
88.07631	12.4
95.08608	3.2
97.10173	1.1
99.69189	0.7
102.09180	10.3
109.10142	2.1
110.10485	0.9
124.81304	0.7
184.20660	0.7
188.94980	0.7
195.80971	0.7
228.23215	33.5
246.24300	2.3
255.23233	1.8
256.26486	2.7
283.26318	38.0
296.98462	0.9
297.52274	0.7
434.25211	0.7
484.47232	100.0
485.47424	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1057
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96557	4.3
60.04022	2.2
61.97803	1.6
66.00142	1.7
71.59124	2.2
77.87154	1.5
85.02879	3.9
91.71063	1.6
92.70390	1.6
94.39290	1.8
98.97586	3.5
99.46469	1.6
116.98584	4.0
131.00188	4.8
133.03523	2.2
134.99706	2.2
143.00056	2.0
149.01221	4.1
161.01190	2.6
163.03856	10.9
189.00618	1.9
191.02176	1.9
201.00702	2.5
231.07025	2.1
233.70308	1.8
237.02750	3.3
237.16040	2.0
245.04945	2.1
317.08362	3.5
321.10129	4.0
453.13651	33.5
485.10501	44.0
485.16074	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1629
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00222	0.3
51.43153	0.4
53.97836	0.4
57.03432	0.4
70.78220	1.1
77.96368	0.4
85.02912	0.4
90.94802	0.5
107.04985	0.6
158.97360	0.7
162.97043	0.4
187.09235	0.4
191.08127	0.3
208.98965	0.5
234.99031	1.4
277.00043	0.6
317.08469	1.4
321.09439	0.8
339.10468	0.6
353.03180	1.9
453.13681	31.1
454.13776	0.7
485.16306	100.0
486.16571	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.358
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	2.2
55.05506	9.7
57.07066	3.1
59.61936	1.2
65.03957	1.7
67.05173	1.7
67.05502	30.6
69.07063	11.5
71.57356	2.8
79.05487	23.0
79.05908	2.2
81.07053	62.5
83.08622	3.0
91.05478	51.8
93.07042	36.4
95.04965	3.8
95.08601	60.5
97.10149	2.6
103.05444	1.8
105.07027	90.8
107.08588	38.3
108.55853	1.3
109.06496	1.5
109.10152	50.9
110.06043	2.9
110.07246	1.8
117.07021	5.7
118.07732	1.6
119.08573	66.6
121.06509	1.1
121.10144	26.9
123.11693	15.7
131.08543	4.2
131.62364	1.2
133.10124	46.6
133.33606	1.3
135.11696	8.0
136.07619	2.4
145.10104	4.1
147.11681	100.0
149.13210	3.0
150.09152	6.0
159.11687	7.4
161.13260	18.6
162.14041	7.6
173.13246	4.1
175.14868	9.2
177.12753	3.0
187.14824	1.6
201.16335	3.2
203.17946	72.4
216.17632	1.3
217.18195	2.0
219.17583	1.4
220.18251	4.5
234.18542	19.4
250.18257	1.4
259.38120	1.3
281.18536	8.4
304.35092	1.6
416.08463	1.5
483.35788	43.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2719
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25523	0.8
55.05267	1.4
55.05510	20.3
57.03227	0.7
57.03439	7.9
57.07077	9.6
60.64759	0.9
66.35358	1.0
67.05500	2.9
69.07066	23.5
69.41074	8.0
71.08624	6.5
71.29391	0.9
79.05490	2.6
81.07058	4.8
83.08614	20.2
83.20717	0.8
85.10191	2.6
86.63680	0.9
93.07033	3.1
95.08598	3.5
97.06545	1.6
97.09550	1.1
97.10168	13.4
98.04952	0.8
98.98455	7.9
107.08590	2.0
109.10130	1.5
111.08057	1.1
111.11711	3.3
121.10138	2.7
135.11685	2.8
142.60374	0.9
147.04391	1.1
149.13188	1.2
155.01030	4.9
163.14818	1.2
173.02113	1.3
237.21950	1.7
311.25797	100.0
312.25940	1.6
397.94855	0.9
447.25006	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	483.3578
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03972	4.8
55.05491	13.7
55.05748	3.9
67.05498	30.0
68.36385	4.3
69.07043	15.0
71.60906	5.6
72.63474	3.7
79.05485	26.4
81.06588	4.6
81.07048	84.5
83.08627	4.2
91.05472	53.5
93.07047	30.2
95.04954	4.6
95.08602	51.8
101.30572	4.2
105.07026	100.0
107.08601	32.3
109.10155	47.2
110.56935	4.4
117.06947	5.0
119.08562	62.6
121.10165	21.6
123.11696	17.7
126.98448	4.8
131.08589	4.4
133.10124	38.0
137.13254	8.1
140.17436	3.8
145.10104	7.0
146.50536	4.3
147.11678	85.4
150.09180	4.3
161.13245	17.2
175.14848	9.8
203.17967	66.4
234.18466	27.9
274.60199	4.5
281.18576	17.7
296.01654	4.2
342.35632	4.4
483.35770	46.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.358
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	0.7
53.03939	2.4
53.86098	0.6
55.05513	7.6
57.07069	1.7
63.10506	0.7
64.14294	0.8
65.03941	1.6
67.05502	19.4
69.07061	10.1
70.90177	1.2
70.90524	1.5
79.05052	1.4
79.05487	16.7
81.07053	29.4
83.08614	3.2
84.46130	0.7
84.53405	0.8
91.05478	40.9
92.05796	0.6
93.07041	41.1
95.04981	4.6
95.08603	43.7
97.10151	2.7
103.05435	1.3
105.07026	65.2
107.07862	1.6
107.08588	27.5
109.06486	0.7
109.10153	30.6
109.91010	0.7
110.06026	1.1
117.07027	2.0
118.06503	0.7
119.08575	44.6
121.10141	21.6
123.11713	7.6
131.08533	2.2
132.09381	0.8
133.10130	33.2
135.11705	6.5
145.10112	3.2
147.11681	72.1
148.12234	0.8
150.09125	2.6
159.11613	1.2
161.13266	12.5
175.14824	4.8
203.17963	30.4
232.43903	0.7
234.18562	5.9
280.45764	0.7
281.18600	2.8
295.07697	0.7
313.24130	1.3
436.35751	1.7
483.35806	100.0
484.36346	2.0
500.68692	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1028
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96560	44.7
61.75017	1.8
69.63654	10.6
69.64064	3.0
84.96050	3.0
91.37829	1.7
95.36437	2.0
95.62168	1.8
98.97591	15.3
110.35388	2.3
116.98617	16.6
124.99101	14.7
134.46544	1.7
134.99641	11.2
138.83020	1.9
143.00154	82.9
145.01697	3.9
149.01204	2.8
152.98613	4.0
159.03300	5.5
161.01210	95.3
162.01537	2.2
169.01750	6.4
170.99634	18.2
179.02254	13.9
183.00757	3.5
184.02811	3.7
185.01227	18.6
187.02876	9.5
187.04312	2.9
189.00716	41.5
194.99608	2.3
203.02272	21.9
205.00237	5.3
207.01805	10.4
213.00665	14.5
219.04390	2.1
221.03270	4.7
222.99014	2.1
226.03793	2.7
231.01736	27.0
245.03569	2.4
249.02824	63.3
260.01318	3.0
264.45331	2.2
267.03879	63.6
268.49210	1.9
268.98547	2.6
269.01724	3.9
272.04388	3.0
273.02750	3.6
277.00882	2.0
285.04996	11.0
287.98679	2.2
290.05490	3.2
291.03802	46.7
292.04279	2.2
299.04288	2.1
299.51614	2.9
309.04910	100.0
317.05359	6.6
319.03378	8.1
327.05725	6.8
327.99133	2.1
332.06534	6.5
337.04373	9.2
345.04947	14.2
363.05713	3.7
386.54324	2.7
387.02045	4.3
387.05838	7.8
387.52185	3.5
395.54825	2.8
396.02338	11.0
396.52869	2.6
397.03568	3.1
405.07089	81.7
407.53577	2.8
423.08041	73.2
424.08380	2.2
428.08514	5.2
441.09222	49.5
442.05411	2.8
446.09729	4.7
464.10706	3.3
483.10187	3.2
501.01874	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	482.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34830	0.7
52.35748	0.6
53.03924	1.1
53.70767	0.7
55.05507	2.2
56.28409	0.7
57.03441	4.6
59.04988	2.3
67.05495	2.1
69.03070	1.3
69.03426	15.9
69.07059	2.8
71.04994	12.2
71.39640	0.7
71.59088	1.6
72.74338	0.7
73.02920	1.3
73.06551	1.6
79.05499	4.8
81.03416	4.8
81.07059	14.8
82.06573	2.1
83.04952	1.4
83.08623	1.6
85.02905	16.0
87.04467	11.8
91.05481	3.6
93.06475	1.0
93.07040	12.5
95.04974	1.7
95.08607	3.0
97.02277	1.2
97.02885	14.7
97.06493	1.3
101.05934	0.8
105.07023	1.7
107.04946	2.3
107.08597	7.7
109.02872	1.6
109.10159	2.7
115.03932	22.9
119.08563	1.8
121.06456	1.1
121.10143	1.1
123.04411	0.9
123.11714	0.8
127.03928	2.4
128.07085	8.5
133.04967	23.7
133.10120	0.8
135.04337	1.2
135.11694	17.8
136.12061	1.0
137.05949	3.6
138.06291	1.0
145.04947	3.2
147.04437	1.7
147.11670	0.9
151.03880	2.0
153.12744	100.0
154.13065	1.7
157.10172	1.1
163.03941	3.8
164.04279	1.3
165.05533	0.9
171.13794	1.4
175.11273	0.9
193.12201	1.9
211.13344	1.8
228.28284	0.8
240.32101	0.9
259.08145	2.6
267.15851	1.1
275.13696	0.8
284.12732	1.1
285.16907	7.6
295.10278	3.8
303.04648	0.9
321.14328	1.2
322.41135	0.9
332.13327	0.9
427.95404	0.8
482.20261	1.0
483.18362	9.6
497.90427	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	2.6
57.03433	3.2
57.12301	1.2
59.05001	1.5
61.02923	2.7
67.05481	1.2
68.65462	1.2
69.03434	6.5
69.07056	4.3
70.06629	1.4
71.04991	15.6
71.58814	2.1
73.02921	7.9
73.06544	2.6
78.18195	1.1
79.05491	3.5
81.03423	1.3
81.07056	19.5
83.08630	1.3
85.02902	15.3
91.05479	4.4
93.07046	12.7
94.63676	1.2
95.04980	2.2
95.08597	5.6
97.02884	11.8
97.06527	1.6
105.06975	1.1
107.08578	9.7
109.02874	1.7
109.10163	2.4
115.03927	9.6
119.08616	2.0
120.08101	2.9
121.81100	1.1
125.13269	1.4
127.03935	3.5
133.04996	2.7
135.11690	18.6
145.04927	5.2
147.04469	1.4
153.12741	100.0
154.13080	2.1
163.04028	2.4
163.11121	1.3
164.07094	1.9
165.12729	1.6
215.49948	1.2
259.08032	1.6
267.11227	1.5
295.10208	1.5
315.18069	1.8
483.14572	18.4
484.15414	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	2.4
55.01862	3.0
55.05506	3.5
57.03432	9.6
58.13592	1.0
59.04999	26.8
61.02927	1.1
67.05492	3.9
69.03423	11.7
69.07054	1.3
69.26748	2.8
69.27148	11.7
71.01331	1.2
71.04993	3.8
73.02918	14.5
79.05493	8.8
81.03413	2.2
81.07058	45.3
83.04961	1.1
83.08614	3.9
85.02901	15.1
87.04465	14.1
89.06043	2.7
91.05468	12.2
93.07041	69.2
95.04958	4.5
95.08601	3.0
97.02891	15.9
98.20771	2.5
105.07018	25.7
106.48745	1.2
107.04973	1.3
107.08597	11.5
109.02913	2.4
109.06532	6.7
109.10178	6.1
111.08078	40.1
113.03480	3.7
115.03938	7.8
121.10138	11.8
122.03644	1.8
123.11700	15.1
127.03912	4.1
133.04964	2.2
133.10132	19.5
137.05983	17.5
140.07059	1.3
145.04964	3.1
151.11179	35.7
163.03914	4.4
169.12238	100.0
173.46780	1.0
187.13287	60.7
210.06908	1.1
239.06673	2.3
251.29594	1.0
259.08011	1.4
265.08600	1.7
285.11563	1.4
297.11276	2.9
315.12158	4.2
358.18393	1.2
481.26437	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	481.2221
Annotation	Unknow
Peak:m/z	Relative Intensity
64.63248	1.5
67.05495	4.1
69.07054	2.4
70.81637	1.4
71.56349	2.9
79.05494	5.7
81.07057	100.0
82.07392	1.9
90.08369	1.9
90.60299	1.5
93.07015	2.6
93.13183	2.2
95.01336	1.8
95.08617	10.3
107.04947	4.8
109.10123	2.0
123.04399	2.8
135.11740	2.9
137.13251	42.8
145.06541	2.8
147.04413	3.8
151.03946	2.2
173.05962	6.1
181.04968	3.9
191.03360	2.0
197.05984	2.9
235.07553	1.9
237.08954	1.9
253.08513	2.4
263.07071	3.0
265.08572	2.9
281.08124	5.5
309.07727	2.2
327.08633	7.7
345.09619	3.3
364.84982	1.8
437.15927	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2223
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.6
54.80852	0.6
55.05502	2.0
55.22378	0.5
57.07073	0.9
57.12877	0.5
67.05500	7.6
69.03402	0.7
69.07069	4.7
70.85418	0.5
79.05483	3.0
81.07056	10.2
83.08614	1.1
91.05479	37.2
93.07043	17.5
95.04961	4.0
95.08603	8.8
97.06527	1.9
99.00816	6.9
105.07023	2.1
107.04947	8.7
107.08592	15.8
109.06498	0.6
109.10152	54.4
111.11733	0.9
117.01852	4.5
119.04940	60.8
119.08551	0.7
120.05782	3.2
121.02862	0.8
121.10133	0.7
123.11683	0.7
125.13266	1.6
133.10159	1.1
135.11694	23.8
137.13228	2.4
145.06468	1.2
145.31595	0.7
147.04408	4.3
152.06183	0.6
153.12741	23.4
154.22400	0.6
157.06589	0.9
163.03841	0.6
165.07007	1.1
167.08528	4.3
176.06236	0.7
177.06973	2.3
195.08128	3.9
212.08339	2.1
213.09103	100.0
214.09447	0.9
223.07600	0.6
237.09024	1.7
247.07600	1.1
265.08673	1.4
293.08185	1.1
311.09076	2.4
353.29199	0.6
481.29544	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2219
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.7
55.05511	7.6
57.03434	0.9
59.99834	0.5
60.08157	1.0
65.03925	1.8
67.05496	3.7
69.03403	0.7
69.07064	25.8
69.27341	4.4
71.26800	0.5
79.05486	3.2
81.07045	6.2
83.04984	0.6
83.08611	0.7
86.09698	2.3
91.05479	17.5
93.07045	11.1
95.04944	1.3
95.08600	4.2
97.06515	2.9
98.98465	0.7
104.10752	4.3
105.07031	2.4
105.11080	1.0
107.04948	0.8
107.08587	8.1
109.10178	3.2
119.04943	31.9
123.11703	1.7
124.99969	1.2
131.08588	0.9
133.10149	4.0
135.11693	9.0
137.13214	0.5
139.06203	0.5
146.98187	8.0
147.04404	100.0
148.04747	1.6
151.11180	0.7
153.12735	31.7
155.01012	0.6
157.06367	0.6
163.03923	1.6
165.05464	1.1
184.07362	3.7
185.07645	1.5
191.03389	2.0
213.09129	1.5
246.70544	0.5
273.03934	1.3
299.16537	0.6
313.14337	3.7
317.17563	3.4
321.76788	0.5
335.25760	2.4
357.23843	0.7
372.18246	0.6
468.92557	0.7
481.23273	3.4
481.30386	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2221
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.5
55.05257	0.6
55.05511	5.9
59.04999	0.3
60.63623	0.3
62.22680	0.3
65.03925	1.0
66.14759	0.3
67.05500	1.2
69.07068	25.7
70.05939	1.1
70.06348	0.6
71.04979	0.5
79.05471	1.5
81.07043	1.4
82.21844	0.3
83.04978	0.5
91.05479	12.4
93.06473	0.6
93.07044	9.9
95.04947	1.0
95.08619	2.3
97.06533	2.4
98.21485	0.4
105.07008	1.1
107.08594	8.6
109.06538	0.4
109.10175	1.5
111.08037	0.4
119.04942	27.5
123.11748	0.5
135.11688	9.3
147.04405	100.0
148.04744	0.6
153.12741	31.8
158.25504	0.3
163.92767	0.3
164.83600	0.3
165.05464	1.6
184.07420	0.4
215.49316	0.3
246.48228	0.3
299.16440	1.7
308.91409	0.4
313.14130	0.7
317.17480	5.9
463.21237	0.3
481.29428	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1704
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82813	0.3
57.03434	0.4
57.50914	0.3
69.03417	0.9
70.06606	0.4
71.04966	0.8
71.62793	0.4
81.03416	0.5
82.06568	0.7
85.02904	2.2
85.96683	0.4
91.05471	0.4
95.08540	0.4
97.02889	0.8
107.04923	0.6
113.02070	0.5
119.04982	0.8
119.08636	0.5
121.02834	0.7
125.05899	0.3
128.07060	1.2
128.11230	0.3
137.05971	5.8
137.06950	0.6
147.04398	4.8
148.04741	2.5
153.01830	0.4
163.03949	1.7
164.04376	0.4
169.04669	0.4
184.07407	0.5
187.05788	0.4
219.01868	0.3
289.08618	0.4
294.05872	0.6
297.11182	0.6
299.66293	0.3
303.04721	0.7
304.04819	0.3
309.09601	0.3
310.09955	0.5
317.06537	2.6
318.06967	2.5
319.07095	6.3
331.10199	1.7
335.10965	3.1
415.19092	0.4
421.05594	0.8
427.29843	0.4
440.13123	0.4
481.16797	100.0
482.16605	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	481.2045
Annotation	Trp Phe Glu
Peak:m/z	Relative Intensity
50.50321	0.4
53.03916	0.4
55.05498	0.8
56.04989	0.5
59.41175	0.3
69.03420	0.8
70.85728	0.9
70.86118	0.8
74.00156	0.4
76.64976	0.4
79.05482	0.6
81.07039	1.3
83.06098	1.6
85.02896	0.9
91.05488	0.6
93.07040	0.6
95.08608	1.1
97.02852	0.5
105.06966	0.6
107.04935	0.8
107.08566	1.4
109.02920	0.4
109.10140	0.5
119.08616	0.8
121.02895	1.1
121.10084	0.7
127.03889	0.8
133.10127	1.6
135.04413	1.3
135.11705	1.0
137.05992	3.0
147.04500	0.9
147.11688	0.6
163.03893	4.6
165.56915	0.5
167.07076	1.0
175.72052	0.4
191.03433	2.5
233.15137	2.1
245.06532	0.5
251.14856	0.5
273.03934	2.3
289.05289	1.0
317.06570	0.4
319.13489	0.8
383.92133	0.5
395.20322	7.0
421.89679	0.4
437.21439	21.8
438.21799	0.5
474.76648	0.4
480.80621	1.2
481.20468	100.0
482.20920	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1704
Annotation	BRUCEIN B
Peak:m/z	Relative Intensity
51.82813	0.3
57.03434	0.4
57.50914	0.3
69.03417	0.9
70.06606	0.4
71.04966	0.8
71.62793	0.4
81.03416	0.5
82.06568	0.7
85.02904	2.2
85.96683	0.4
91.05471	0.4
95.08540	0.4
97.02889	0.8
107.04923	0.6
113.02070	0.5
119.04982	0.8
119.08636	0.5
121.02834	0.7
125.05899	0.3
128.07060	1.2
128.11230	0.3
137.05971	5.8
137.06950	0.6
147.04398	4.8
148.04741	2.5
153.01830	0.4
163.03949	1.7
164.04376	0.4
169.04669	0.4
184.07407	0.5
187.05788	0.4
219.01868	0.3
289.08618	0.4
294.05872	0.6
297.11182	0.6
299.66293	0.3
303.04721	0.7
304.04819	0.3
309.09601	0.3
310.09955	0.5
317.06537	2.6
318.06967	2.5
319.07095	6.3
331.10199	1.7
335.10965	3.1
415.19092	0.4
421.05594	0.8
427.29843	0.4
440.13123	0.4
481.16797	100.0
482.16605	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	480.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	0.4
57.10898	0.2
59.62204	0.2
65.03931	0.9
67.05496	0.7
69.07064	0.4
69.27324	1.1
69.27750	0.9
79.05498	2.3
79.83493	0.2
81.07061	1.2
91.05479	7.5
92.24512	0.2
93.07040	11.7
95.04948	0.6
105.07043	0.8
107.08594	21.9
108.08931	0.3
109.06511	0.3
109.10137	0.7
119.04947	17.0
120.05264	0.3
121.10155	0.2
123.11681	0.3
135.11696	22.2
147.04410	100.0
148.04755	1.4
151.11218	0.3
165.05473	1.8
187.93675	0.2
200.24057	0.2
202.77786	0.2
299.16415	7.6
299.19824	0.4
308.29504	2.3
336.43240	0.2
368.66733	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.3084
Annotation	PE(18:1(9Z)/0:0)
Peak:m/z	Relative Intensity
51.11072	0.2
53.03938	0.5
55.05510	11.6
57.03436	6.0
57.07077	6.2
62.06074	0.3
65.03909	0.3
67.05503	9.9
69.07066	18.2
69.29937	3.1
71.04995	0.6
71.08631	2.8
79.05068	0.3
79.05493	3.8
81.07054	10.8
83.04942	0.6
83.08618	11.7
85.06536	0.7
85.09721	0.3
85.10165	1.5
86.09671	0.4
91.05471	1.1
93.07042	6.3
94.31400	0.2
95.04959	0.3
95.08604	11.0
97.06528	2.1
97.10168	7.3
98.06050	0.5
98.98446	0.6
99.08063	0.3
101.06011	0.3
107.08593	4.8
108.48952	0.2
109.10146	5.2
111.08044	1.3
111.11720	2.0
119.04955	0.7
119.08516	0.3
121.10130	5.3
123.11719	1.7
124.01544	0.3
125.09613	0.9
132.91190	0.3
135.11693	5.1
137.13243	0.4
139.11118	0.6
142.03537	0.2
147.04430	2.4
147.11732	0.3
148.04762	0.5
149.13271	2.0
151.14842	0.5
153.12720	0.6
163.14809	0.6
165.16386	0.3
177.16447	0.3
178.30841	0.3
183.33170	0.3
191.17941	0.3
197.00197	0.2
198.05257	0.4
213.09074	0.6
216.06290	0.9
220.49527	0.2
247.24290	0.4
265.25214	1.2
285.10184	0.3
308.25906	0.5
308.29462	9.3
309.29773	0.3
339.28931	100.0
340.29196	1.9
370.66913	0.3
480.33420	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1107
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.8
55.05497	2.5
56.51054	0.9
56.97556	1.1
58.40216	1.0
67.05495	1.2
69.03422	2.5
69.68118	6.6
69.68527	2.4
71.04963	1.2
79.05477	1.4
81.03410	2.4
81.07043	4.3
85.02914	2.0
91.05487	1.9
93.07046	2.6
94.04163	1.8
95.08597	2.9
97.02895	2.6
97.10180	1.2
98.97564	1.6
100.11252	2.1
105.07042	1.4
107.04987	1.6
107.08552	2.0
109.02847	1.3
109.10131	2.4
116.98666	1.5
122.03645	2.5
123.11684	1.1
137.05977	33.3
163.03915	2.0
167.06998	2.4
191.07091	0.9
193.08472	1.1
196.74895	1.0
201.59457	1.0
219.01778	1.2
233.05902	1.7
237.02872	4.3
265.08636	2.1
273.03680	1.2
285.11243	2.5
297.11285	2.1
305.08041	1.0
395.10297	3.1
413.11389	1.2
437.11960	12.2
481.11078	100.0
481.37469	1.3
482.11642	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1679
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05511	0.2
69.03434	0.2
70.06569	0.1
71.04987	0.2
71.61674	0.2
72.08297	0.1
79.05481	0.2
81.03416	0.1
81.07065	0.2
83.04982	0.3
85.02892	0.4
86.09711	0.2
89.03926	0.2
93.07033	0.2
107.08631	0.2
107.49921	0.1
113.02143	0.2
121.02850	0.5
127.03814	0.2
131.48177	0.1
135.04413	0.3
137.05983	0.8
139.03877	0.1
141.05322	0.1
145.02858	0.2
153.01868	0.2
155.03172	0.6
163.03905	1.7
167.07079	0.2
169.04681	0.3
171.02675	0.4
171.04198	0.2
173.04248	1.0
181.04930	0.2
185.04147	0.2
186.06511	0.5
191.03418	0.3
211.14819	0.2
212.04549	0.2
215.05237	2.0
226.77344	0.1
229.04771	0.2
229.06812	1.4
230.05475	0.3
245.06296	0.4
257.06412	0.3
259.05722	0.2
265.17990	0.4
273.03986	0.4
283.19003	0.3
291.08273	0.6
299.07504	0.3
301.08920	0.6
317.08408	2.6
345.04184	0.2
349.12552	2.3
412.40762	0.2
423.12552	0.2
440.12894	0.5
466.14420	0.2
474.27658	0.1
481.16782	100.0
482.17123	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2381
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84719	0.3
55.05507	2.6
56.96547	0.5
57.03429	1.1
57.07065	0.6
61.02929	0.4
65.03915	0.8
67.05508	2.3
69.07075	2.8
69.07423	0.4
69.84653	0.5
69.85078	1.1
71.08602	0.4
79.05486	2.2
81.07056	3.0
83.08608	1.9
91.05476	8.1
93.07039	6.9
95.04977	0.7
95.08591	2.0
97.02847	0.3
97.06517	0.4
97.10157	1.0
98.06052	1.0
98.21394	0.3
105.06990	0.7
107.08591	15.0
108.08876	0.3
109.06512	0.4
109.10172	1.3
111.08159	0.4
119.04942	19.4
120.05295	0.4
121.10146	1.1
123.11734	0.7
128.98636	0.2
133.10129	0.5
135.11688	16.3
147.04405	100.0
148.04784	1.6
151.11186	0.4
152.11537	0.3
165.05505	1.1
191.03407	1.2
191.10558	0.3
196.37143	0.3
213.09068	0.3
273.03864	1.6
285.10068	0.7
286.10562	0.4
299.16394	3.2
308.29477	16.7
315.11002	0.4
315.61172	0.6
317.12509	0.3
332.76242	0.3
339.28940	15.9
340.05222	0.4
454.72342	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.24
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.1
55.01853	0.6
55.05497	1.6
57.03426	2.2
59.80188	0.5
65.03929	1.3
66.74023	0.6
67.05508	4.5
68.05824	1.1
69.03425	2.6
69.07057	2.0
71.56185	1.1
74.01650	0.6
79.05501	5.2
80.05817	1.0
81.03410	2.0
81.07062	5.2
82.07399	0.9
85.02909	1.7
91.05478	9.0
92.05804	0.6
93.07041	13.8
95.04967	1.0
95.08598	2.6
97.06510	0.8
105.07027	2.5
107.04955	0.7
107.08590	24.3
108.08920	2.5
109.06474	0.7
109.10161	1.7
110.10506	0.9
112.36417	0.6
117.06989	1.3
119.04947	15.6
119.08559	1.7
120.08911	1.0
121.10121	0.6
123.08072	0.9
123.11729	1.1
124.08411	1.0
124.12025	1.0
127.03905	0.9
131.08559	1.4
132.08917	0.7
133.10115	1.0
134.10530	0.8
135.11690	21.5
143.08560	0.6
145.10158	0.7
146.10451	0.8
147.04408	100.0
148.04639	0.6
151.11133	3.3
152.11533	1.8
159.11674	1.1
159.30376	0.5
163.03914	0.6
165.05473	1.6
169.12193	0.8
174.26703	0.5
183.30435	0.6
272.17081	0.5
299.16397	6.0
339.28076	2.3
370.24661	0.9
388.25885	1.0
391.30826	0.7
420.60278	0.7
432.19879	0.6
444.28592	1.2
462.29254	2.9
480.30334	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	480.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01170	2.2
57.03431	33.8
61.02924	11.2
69.03082	2.6
69.03428	44.9
69.19586	2.0
71.04990	29.4
71.06193	3.4
71.06533	4.5
71.31109	2.1
73.02919	71.3
74.60576	1.8
75.04474	2.8
81.03428	13.2
83.04961	3.6
83.87322	1.9
85.02901	100.0
87.04449	7.2
91.05473	33.0
97.02885	73.2
99.04426	6.1
103.03912	3.6
105.07011	2.6
107.04941	16.3
109.02859	6.7
111.04467	3.5
115.03925	66.1
115.04738	3.4
119.04945	38.5
121.06491	7.7
127.03918	43.1
129.05493	15.9
133.04953	15.5
133.06474	9.4
136.07567	11.4
137.05949	15.0
139.03886	5.8
145.04947	34.4
145.06445	5.7
147.06505	14.7
149.05905	3.4
150.07613	4.5
151.07539	39.5
157.04982	2.0
161.06035	17.4
163.05946	15.6
164.09207	3.6
173.04431	6.0
173.06003	12.6
175.07500	4.0
179.06934	2.7
181.04985	4.0
185.05940	4.8
187.07582	5.2
199.05812	2.9
203.07022	8.2
215.07014	4.7
223.06116	4.1
227.07040	2.9
233.07982	6.0
241.07027	10.6
245.08069	3.3
247.09532	2.3
251.09178	16.1
259.08075	14.7
263.09122	7.8
281.10260	14.6
282.76596	2.2
295.10294	17.1
298.12598	10.4
377.12280	2.6
415.27887	2.1
430.17099	7.2
448.18057	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.6
55.01878	0.8
55.05510	1.4
57.03436	9.9
57.96291	0.5
61.02921	1.1
62.05482	0.5
69.03430	9.9
69.57853	4.2
70.06599	0.7
71.01372	0.7
71.04993	75.0
72.05368	0.6
73.02916	2.8
75.04472	5.2
81.03413	1.5
83.04981	9.4
85.02905	100.0
86.03228	0.5
86.06090	0.5
87.04470	2.2
91.05487	3.6
97.02892	3.5
97.89873	0.5
98.20723	0.9
99.04452	1.7
101.06023	0.7
103.03951	0.7
103.57538	0.5
105.07057	0.7
109.02885	1.3
110.06110	0.7
110.07057	0.7
111.04448	5.4
119.04939	2.2
121.06494	2.3
123.04427	1.4
126.10309	0.5
127.03928	4.9
129.05481	50.3
133.06502	0.9
135.04436	1.1
137.05969	24.0
137.25104	0.6
138.05473	0.9
145.04964	3.9
146.08099	2.0
147.06519	28.4
149.05981	1.3
151.07507	3.0
155.07016	4.8
157.06496	0.7
161.05946	2.0
163.03932	3.3
163.06038	1.2
164.04204	1.7
164.09192	9.9
165.05447	2.4
165.07605	1.2
167.07007	1.9
175.07407	0.9
177.05472	0.7
179.07025	9.7
185.05923	0.7
189.05510	1.0
191.07016	0.8
195.06552	0.7
197.08072	1.1
203.06996	2.3
209.08197	0.7
217.08394	0.6
221.08035	4.4
227.07108	0.6
237.07446	1.0
245.08081	0.9
247.07104	0.7
247.09665	8.7
255.08656	3.5
263.09064	1.6
265.10706	4.5
273.09570	2.0
281.10132	1.5
283.11600	0.7
299.11221	0.6
301.12625	0.7
309.11624	2.4
430.14972	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	0.4
64.06453	0.2
65.03939	0.4
69.03448	1.0
69.28988	0.2
71.05001	0.5
81.03414	0.5
81.07067	0.3
82.82332	0.2
85.02910	1.2
91.05479	4.9
94.37125	0.2
97.02888	2.7
109.02867	0.4
119.04942	14.9
127.03915	0.3
135.11594	0.2
136.28308	0.2
137.05943	0.4
145.02818	0.3
147.04405	100.0
148.04723	0.9
149.05067	0.2
151.07556	0.4
158.50452	0.2
160.54922	0.2
163.03938	1.4
165.05466	1.3
251.71573	0.2
283.15359	0.4
291.08521	0.4
309.06192	0.4
309.09683	5.5
317.06439	0.4
318.06873	0.4
367.16187	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	480.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99740	0.3
53.03942	0.8
55.01858	0.7
57.03439	2.3
61.02925	1.3
65.03926	1.0
69.03426	4.1
71.01336	0.4
71.04998	2.1
71.58311	0.5
73.02913	3.5
81.03410	1.3
83.04977	0.3
84.18149	0.3
85.02906	13.4
91.03960	0.5
91.05475	3.2
93.03381	0.7
93.07055	4.7
95.04974	1.9
97.02888	5.1
99.04453	0.9
101.02360	0.6
103.03926	0.6
103.05498	2.5
107.04952	2.6
109.02863	1.6
109.06541	0.4
111.04443	9.5
115.03931	2.7
119.04933	1.7
120.45956	0.4
121.06504	100.0
122.06836	0.7
123.04427	0.7
127.03915	4.1
129.05479	1.1
131.29298	0.4
135.04463	0.7
137.05962	1.6
138.09135	12.5
139.03900	23.2
145.04948	3.8
145.06100	0.5
145.06490	0.5
147.06566	0.7
147.07881	0.3
151.03905	1.4
151.07523	1.3
161.05983	0.6
163.03947	1.0
163.06015	2.2
175.07561	0.4
179.07033	0.4
181.04959	7.4
187.07549	0.4
203.07033	0.5
247.09760	0.9
265.10699	0.7
281.10248	0.5
282.13629	0.5
295.10251	0.5
300.14420	34.1
337.06018	0.4
469.20602	0.4
480.18176	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.373
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	21.1
57.07075	81.9
65.03952	2.5
67.05499	11.5
69.03428	3.1
69.07066	38.7
70.98426	4.7
71.08630	80.6
79.05498	10.4
81.07058	33.0
83.04982	9.4
83.08624	24.0
85.06538	2.5
85.10180	49.3
87.04488	2.9
91.05521	3.1
93.07041	22.3
95.08595	27.1
97.06525	9.0
97.10176	15.7
99.08096	7.0
99.11723	8.3
101.06020	33.3
105.07011	3.0
107.08599	24.8
109.06519	8.0
109.10173	15.4
111.08072	6.6
111.11711	10.8
113.09629	3.6
113.13268	6.0
115.07566	6.1
121.10151	18.8
123.11700	8.8
125.05961	7.0
125.09628	2.6
125.13211	4.5
126.53236	1.8
127.07558	99.5
127.14843	4.8
129.05473	100.0
135.08032	2.6
135.11700	18.2
137.13243	3.3
139.07538	5.7
139.11212	2.5
139.14816	3.3
141.16383	3.9
143.07013	10.9
145.08536	2.0
149.09636	2.9
149.13263	18.8
151.14787	3.1
153.09087	3.8
153.12694	5.1
157.08589	4.9
159.10394	2.2
159.11694	2.5
163.11378	2.3
163.14812	14.7
163.36707	1.9
167.10678	3.2
167.14319	5.2
171.10112	4.1
177.12769	3.5
177.16391	7.9
179.18097	2.2
181.15840	8.2
185.11720	4.3
191.14305	4.1
191.17952	5.7
195.13766	2.3
195.17416	4.5
205.19449	4.9
209.15353	3.2
209.19099	5.5
213.14848	4.6
219.21013	3.2
223.20520	3.7
227.16350	4.7
233.22627	4.7
237.18364	2.3
237.22110	4.5
241.17969	4.9
247.20399	2.0
251.20015	2.7
251.23607	3.1
255.19597	4.0
269.21066	3.2
289.28952	13.2
307.29929	16.1
317.28421	3.7
335.29282	4.7
353.30359	2.3
433.36761	5.5
479.37234	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	479.2063
Annotation	Garcinisidone E
Peak:m/z	Relative Intensity
55.01890	0.7
55.05502	1.2
65.03928	1.8
67.05495	5.3
69.07058	2.1
71.04971	1.2
71.59926	0.8
77.39166	0.7
79.05492	4.4
81.03404	2.0
81.07059	7.7
83.08607	1.2
85.02888	1.0
91.05473	17.5
93.07039	4.7
95.04942	2.0
95.08598	4.0
97.06528	1.2
105.07053	5.7
107.04964	2.2
107.08588	12.2
109.06515	1.3
109.10135	6.0
110.38188	0.7
119.04943	24.9
119.08545	1.3
121.06477	1.0
121.10136	2.3
123.11692	2.6
125.92058	0.8
131.08595	1.3
133.10118	6.2
135.11711	2.0
137.06021	0.9
147.04404	100.0
147.11696	1.0
148.04706	2.3
151.11185	5.7
163.03931	1.7
165.05513	1.7
193.12288	2.4
211.13289	3.2
237.09001	0.7
297.14896	4.2
313.14404	1.4
315.15948	1.6
326.08560	0.7
461.28741	1.5
479.30023	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	479.2066
Annotation	Garcinisidone E
Peak:m/z	Relative Intensity
55.05521	1.8
57.07074	1.6
63.70006	1.1
65.03918	2.1
65.23020	1.1
67.05505	8.6
69.07082	2.5
70.62138	4.8
79.05489	9.1
81.03423	1.6
81.07063	23.0
85.06509	2.1
89.03903	2.0
91.05478	24.6
93.07046	19.3
95.04980	6.3
95.08616	7.9
105.07046	6.9
107.04951	3.5
107.08592	37.8
109.06512	2.6
109.10146	16.9
117.03401	1.7
119.04940	33.7
119.08586	2.2
121.02860	4.7
121.10129	4.7
123.11709	38.5
133.10135	10.5
135.04390	6.3
135.11691	20.2
137.13243	3.3
145.02875	3.1
147.04407	100.0
148.04759	1.7
151.11182	16.7
163.03908	25.3
165.05475	3.7
212.08311	1.6
213.09105	12.2
281.08087	1.9
311.09045	1.6
313.13995	1.3
315.15854	7.4
380.08975	1.8
393.22510	2.5
461.28766	3.3
479.29895	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	479.2065
Annotation	Garcinisidone E
Peak:m/z	Relative Intensity
53.03939	2.2
54.80854	1.8
55.01862	2.3
55.05499	3.9
56.96560	4.6
57.03436	3.3
61.02914	2.2
67.05497	11.4
69.03426	2.1
69.07053	4.5
71.62644	2.8
71.63057	2.7
77.26137	1.9
79.05490	12.9
81.03418	4.6
81.07051	17.3
83.04955	2.6
83.08583	3.7
85.02880	6.0
89.03902	4.2
91.03949	1.9
91.05465	22.2
93.07036	23.9
95.04970	6.5
95.08592	7.6
97.02888	3.6
97.06527	2.1
105.07005	9.2
107.04927	4.8
107.08594	18.1
109.10136	11.7
117.03390	2.9
117.07027	1.8
119.04928	23.5
119.65417	1.8
121.10123	4.3
123.11691	4.5
129.03975	2.3
131.08525	3.1
133.10135	6.9
135.04387	13.2
135.11707	12.1
145.02844	8.5
147.04405	100.0
149.13284	3.8
151.11183	8.4
163.03906	71.8
165.05502	3.3
167.14558	2.0
193.12358	3.3
208.26463	2.0
211.13177	5.4
267.09042	6.4
267.15720	2.1
269.10556	3.7
269.17279	2.0
285.10101	11.3
287.11453	2.7
324.11319	8.7
324.61282	3.4
365.15546	2.4
430.18869	2.8
461.28540	4.1
479.29977	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	479.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	38.1
59.04985	2.2
61.02924	16.1
69.03427	29.5
70.29234	2.1
70.29578	5.5
71.01344	5.4
71.04980	2.9
72.08616	1.4
73.02917	88.9
75.04502	1.6
79.05492	2.2
81.03405	5.0
85.02904	59.1
87.04447	3.8
88.01646	1.3
89.03906	6.2
91.03945	5.2
91.05484	2.1
97.02888	53.7
99.04446	1.4
103.03943	2.1
106.01152	1.2
107.04948	4.2
109.02869	4.7
112.47823	1.5
115.03927	55.0
117.03366	5.7
123.04432	1.4
127.03912	21.3
132.06549	4.2
133.04944	19.1
135.04428	20.6
137.06024	1.8
145.02837	10.8
145.04947	27.2
150.07622	15.7
151.07547	2.2
161.06010	2.8
163.03903	100.0
163.05899	10.6
164.04231	1.6
165.05481	2.7
170.82478	1.5
175.07581	1.9
179.07098	2.4
180.08644	3.9
203.06975	4.9
221.08035	2.6
223.05991	6.2
225.17624	1.4
234.07632	4.6
241.07019	10.2
245.08031	3.5
259.08139	5.9
263.09137	4.6
267.90442	1.4
281.09991	1.5
295.10104	8.7
325.09238	2.6
347.14600	7.4
356.40771	1.7
479.18756	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	479.1543
Annotation	Calceolarioside B
Peak:m/z	Relative Intensity
54.88665	0.4
57.03427	0.4
61.58989	0.4
63.02374	0.6
69.03411	1.2
69.95107	1.8
69.95522	0.8
79.05469	1.2
80.71097	0.4
81.03402	1.7
85.02878	1.7
89.03910	7.0
91.00974	0.4
91.05463	0.9
93.45320	0.5
97.02868	1.9
98.20791	0.8
103.05448	0.4
104.49155	0.5
105.07011	1.0
107.04913	2.3
115.05505	0.6
117.03378	8.4
119.04915	0.5
121.06515	0.5
123.04449	1.1
127.03937	0.6
129.07008	0.5
131.04935	0.5
133.06465	0.5
135.04404	20.4
137.05981	2.5
143.04872	0.5
145.01744	1.0
145.02843	14.3
147.04385	0.9
149.05998	1.3
151.07539	1.8
157.06470	0.9
161.05960	1.7
163.03896	100.0
164.04216	2.7
165.05502	3.4
167.06979	0.7
173.05963	0.6
175.07594	0.9
179.07008	1.9
181.04997	1.7
185.05951	0.8
186.05568	0.6
189.05426	0.6
203.07024	2.6
217.08481	0.7
221.08081	1.1
227.07080	0.5
233.08138	1.2
245.08081	2.8
263.09106	3.1
265.07013	0.9
281.10196	0.9
307.08215	0.8
325.09192	3.6
326.09296	0.6
338.65732	0.5
408.55627	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1675
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.8
57.03440	0.8
60.04532	0.8
61.02918	0.6
65.03927	0.6
67.05499	0.6
69.03426	2.3
70.06593	0.7
71.01971	0.7
71.02303	0.8
71.04986	0.5
73.02909	0.8
77.03913	0.5
79.05505	2.0
81.03406	1.4
85.02903	4.5
89.03887	2.6
94.06556	3.5
95.04962	2.7
96.04491	1.1
97.02898	2.9
98.97591	0.6
99.04459	0.5
106.93249	0.4
107.04948	100.0
108.05260	0.6
109.02835	0.8
109.07625	0.5
117.03328	2.3
118.43615	0.5
119.06055	2.3
122.06033	4.2
124.03943	1.1
127.03934	1.2
131.04875	0.6
135.04410	6.4
137.05965	1.8
137.07101	3.7
138.05486	10.7
139.06241	0.7
140.07022	0.4
145.02855	3.7
145.04973	1.4
147.04440	0.8
147.05530	1.3
148.03944	1.9
148.21695	0.5
149.05939	0.6
150.05495	15.8
150.06653	0.9
152.06924	0.6
153.05522	0.7
154.04935	0.5
155.08125	2.2
161.05977	0.9
163.03897	38.7
165.05470	1.4
165.06592	40.7
166.05005	3.4
168.06544	35.9
168.08662	0.6
179.07060	0.7
183.07700	1.6
191.38730	0.5
193.06128	1.6
203.07013	0.9
206.21135	0.4
211.07109	2.7
245.08104	1.4
250.52631	0.4
263.09277	1.2
299.10400	1.3
305.09146	1.0
317.11285	11.5
325.09143	1.5
461.15768	0.6
479.16599	32.9
480.17337	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1545
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97690	0.5
53.03067	0.4
53.67974	0.4
55.01864	0.9
62.81650	0.4
64.82680	0.5
69.03422	2.1
70.06306	2.7
73.02914	0.5
79.05478	1.7
81.03417	2.6
82.80961	0.6
85.02892	3.3
89.03915	6.4
89.04428	0.8
91.05486	0.9
95.04952	0.6
97.02882	1.8
98.20747	0.5
98.86350	0.5
105.07012	1.3
107.04980	2.4
109.02876	0.5
109.10072	0.5
117.03374	8.0
121.02804	0.5
121.06485	1.0
123.04412	0.9
127.03869	0.8
128.06194	0.7
129.07024	1.0
131.04901	0.7
133.06458	0.6
135.04408	18.2
137.05986	3.3
145.02841	14.3
145.03990	0.7
147.04417	0.8
147.08101	0.7
149.05991	1.3
151.07520	2.0
153.01772	1.3
157.06529	1.4
161.05989	1.9
163.03899	100.0
164.04263	2.6
165.05499	2.0
175.07477	1.2
179.07060	2.5
181.04993	1.2
181.06535	0.5
181.30579	0.5
185.05977	0.9
187.07532	0.4
189.05440	0.8
189.09129	0.7
191.07048	1.1
195.06416	0.6
203.07114	2.6
217.08684	1.1
221.08044	2.6
233.08018	0.9
245.08075	3.3
263.09143	4.4
265.07050	0.9
267.15924	1.0
274.04657	1.1
281.10223	0.9
299.11014	0.6
302.04218	2.0
317.02829	0.9
317.06546	18.8
325.09229	1.7
377.11835	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1549
Annotation	Calceolarioside B
Peak:m/z	Relative Intensity
53.03936	0.4
55.01870	0.3
57.03410	0.3
58.82067	0.2
59.91532	0.3
61.02919	0.3
63.02366	0.3
69.03426	1.4
70.84850	0.8
71.04979	0.5
72.22211	0.2
79.05484	1.1
80.34366	0.3
81.03394	1.0
83.71030	0.2
85.02912	2.2
89.03907	5.8
89.04414	0.5
91.05478	0.6
93.07046	0.3
95.05016	0.3
97.02901	3.7
99.04435	0.3
105.07037	0.4
107.04945	2.0
107.90392	0.2
108.44028	0.3
109.02857	0.2
117.03378	6.4
121.06504	0.2
123.04466	0.5
127.03900	0.8
128.06230	0.4
129.06973	0.3
133.06491	0.3
135.04417	15.4
136.27281	0.3
137.06009	1.7
145.02844	11.4
145.04817	0.5
147.04427	0.5
149.05948	0.6
151.07555	0.8
157.06461	0.4
161.05997	0.7
163.03902	100.0
164.04222	1.7
165.05492	1.0
167.06993	0.3
173.05995	0.3
175.07527	0.7
179.07050	1.0
180.29665	0.2
181.04974	2.6
185.05978	0.3
186.05453	0.4
187.07724	0.3
189.05464	0.4
191.07008	0.5
195.06593	0.3
203.07101	1.4
205.08661	0.3
217.08569	0.3
221.08026	0.7
233.08194	0.5
244.09592	0.3
245.08107	1.1
263.09116	1.6
265.06967	0.4
299.11523	0.4
317.06549	3.2
318.06686	0.3
325.09091	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1544
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.3
54.55399	0.2
57.03421	0.3
61.02907	0.8
63.02371	0.4
69.03431	0.7
70.86863	0.8
71.04993	0.3
73.02915	0.3
79.05492	1.1
81.03400	1.4
85.02895	2.2
86.09709	0.4
89.03913	6.6
91.03970	0.4
91.05466	0.8
95.04947	0.5
97.02885	1.7
105.07014	0.4
107.04964	2.3
109.02898	0.3
117.03384	6.8
119.04955	0.5
121.06523	0.4
127.03911	0.5
129.07030	0.4
131.04933	0.3
133.06346	0.5
135.04413	17.6
136.04787	0.4
136.07542	0.6
137.05965	3.0
143.04935	0.4
145.02837	10.6
147.04366	1.2
149.05986	0.8
151.07520	1.2
153.01849	1.1
157.06451	0.8
161.05959	1.5
163.03893	100.0
164.04259	1.1
165.05466	3.3
167.07040	0.5
171.08157	0.3
171.87737	0.2
175.07486	0.9
177.05484	0.4
179.07018	2.2
181.05038	1.2
181.06380	0.3
185.05927	0.7
186.05431	0.4
189.05418	0.8
191.07013	0.7
195.06485	0.4
199.07484	0.5
203.07028	2.0
205.08560	0.4
217.08591	0.7
221.08098	1.3
223.09680	0.5
227.07024	0.5
229.04991	0.5
233.07990	1.2
245.08096	2.6
249.15845	0.3
251.09114	0.5
257.04443	0.3
263.09180	3.0
265.07050	0.7
281.10168	0.7
285.03897	0.6
299.11383	0.4
302.04178	1.7
307.08188	1.0
317.06537	14.3
318.06750	0.6
325.09140	1.9
377.46637	0.3
386.28293	0.3
443.14209	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1184
Annotation	isorhamnetin-3-O-glucoside
Peak:m/z	Relative Intensity
53.03938	0.6
55.01856	0.8
57.03427	0.9
61.02926	1.9
68.10208	0.2
69.03427	3.3
69.95233	0.2
71.04971	0.3
71.06856	0.6
73.02892	0.7
81.03419	1.4
85.02904	10.8
87.04449	0.4
91.03968	0.6
92.02624	1.1
93.03407	1.0
96.52245	0.2
97.02895	3.1
99.04444	0.4
101.02364	0.3
109.02864	0.8
116.73560	0.3
117.15543	0.3
121.02853	1.1
127.03896	2.2
130.75322	0.3
139.03882	1.0
145.04968	2.1
147.04388	0.5
151.03868	0.6
151.07584	0.2
152.74492	0.2
153.01811	7.4
163.03874	0.6
165.01846	0.5
201.05501	0.6
217.04883	0.7
218.05775	0.8
228.04112	1.3
229.04955	2.9
231.02872	0.4
245.04324	1.2
246.05301	1.7
257.04391	2.3
260.03137	0.3
260.48190	0.2
261.07748	0.4
273.03973	1.8
274.04745	3.8
285.03918	4.3
287.01968	0.3
302.04199	11.8
304.22354	0.2
317.06552	100.0
318.06863	1.4
421.18268	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1546
Annotation	Calceolarioside B
Peak:m/z	Relative Intensity
61.96465	0.5
70.03418	1.5
70.03835	1.5
71.24390	0.6
72.44588	0.5
74.57107	0.5
79.05483	1.2
81.03404	0.9
85.02897	1.5
88.90922	0.5
89.03912	5.9
91.05476	0.9
97.02881	1.1
107.04952	3.6
117.03373	6.9
121.06503	1.3
123.04417	1.8
129.06963	1.2
131.04936	0.7
135.04411	16.0
137.05943	2.7
145.02831	9.7
145.03879	0.6
147.04404	1.3
149.05992	1.3
151.07564	1.6
157.06444	1.4
161.05984	1.9
163.03899	100.0
164.04211	2.3
165.05522	2.9
167.06966	0.8
173.06015	0.7
175.07539	2.0
179.07008	2.5
181.04936	1.0
181.06407	0.7
185.05910	1.0
187.07504	0.7
189.05540	0.7
191.07051	1.3
195.06531	0.9
199.07587	0.7
203.06982	4.3
217.08572	1.5
221.08081	2.0
230.86972	0.5
233.08049	1.2
245.08096	4.1
263.09204	4.4
265.07025	1.1
281.10040	0.9
299.11237	1.0
302.04208	0.6
308.23749	0.6
317.06494	3.4
325.09146	2.7
464.31046	0.5
464.40985	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1033
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	9.8
55.01863	3.7
55.05512	4.0
57.03439	5.7
60.80534	0.9
61.02914	2.6
65.71296	0.8
67.05498	4.0
68.99785	4.7
69.03432	39.0
69.07068	1.7
71.01328	1.5
71.04987	6.9
73.02915	2.4
79.05492	3.8
81.03420	49.1
81.07054	6.1
83.01353	1.1
83.04983	7.8
85.02905	55.0
85.06556	0.8
87.00830	15.3
88.02504	0.8
91.05472	2.7
93.07026	3.4
95.04963	3.2
95.08595	2.1
97.02898	11.5
97.10184	1.1
99.04453	16.4
99.08108	0.9
103.03938	3.2
105.01881	6.1
105.07024	3.0
107.04956	2.5
107.08591	2.7
109.02883	38.8
109.10153	1.7
111.04463	5.3
113.30762	0.9
119.04958	1.5
119.08576	1.8
121.06472	1.0
121.10137	1.9
123.04435	3.8
123.11764	1.1
125.02370	1.8
127.03919	100.0
129.01840	3.6
135.04422	1.2
137.05945	2.6
139.03891	1.1
141.05463	1.1
145.04971	3.9
145.10135	2.0
147.02902	1.4
147.04341	1.4
151.03909	1.9
151.07527	1.5
153.01831	1.0
159.02867	1.4
163.03902	7.9
165.05446	1.8
165.09099	1.5
167.07039	2.1
169.04951	5.4
171.02907	3.5
179.03375	1.1
181.04959	1.3
187.05963	4.5
189.03941	8.1
193.04959	1.1
212.16864	0.9
213.03941	13.1
231.05017	11.3
231.07295	1.4
235.05887	1.3
246.79097	0.9
255.05022	2.7
273.03806	0.9
273.06128	7.9
321.06192	1.0
339.07028	2.7
357.08829	1.1
443.08365	3.0
461.09201	23.6
461.15445	1.3
461.28268	1.3
479.10477	1.8
479.18359	1.5
479.25937	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1033
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94510	1.5
53.03942	8.2
55.01867	8.4
55.05503	9.8
57.03437	5.1
61.02925	10.5
65.03937	3.2
67.05499	4.7
68.99787	15.1
69.03427	60.7
71.01354	4.0
71.04992	4.8
73.02920	3.6
79.05486	1.9
81.03417	100.0
81.07042	2.5
83.04977	38.1
85.02909	36.4
85.03374	3.7
87.00832	20.5
89.03926	2.6
91.05476	4.9
93.03415	1.9
95.01334	3.3
95.04969	6.9
97.02887	26.6
98.20733	4.0
99.04453	12.8
105.01875	6.3
105.07001	3.0
107.05000	4.3
109.02882	71.2
111.04442	71.2
113.02356	1.6
115.03934	2.8
119.04964	3.1
121.02884	2.0
122.17585	1.9
123.04434	8.8
125.02380	5.3
127.03921	48.9
129.01848	17.7
129.05476	5.4
134.10414	1.8
135.04396	5.8
135.54359	1.6
137.02338	4.5
137.05992	10.8
139.03896	6.2
143.03371	2.7
145.02821	3.1
145.04944	4.1
147.02892	6.9
147.04430	7.1
151.03922	5.3
151.07561	4.4
151.44498	1.9
157.04990	3.2
159.02988	2.1
161.05998	5.4
163.03897	18.4
165.05408	3.0
165.09122	1.8
167.07082	2.9
169.04999	4.6
173.04225	2.0
175.06148	3.3
175.07567	2.1
176.03201	1.7
181.04802	1.9
187.05977	2.2
189.05458	3.0
193.04932	2.2
194.76952	2.2
195.10170	2.8
197.04390	3.6
198.74533	1.9
201.03935	5.3
203.85985	2.1
213.03949	5.1
231.05074	6.6
231.11208	2.2
235.06145	2.4
253.06926	3.4
259.04480	15.6
261.06113	7.6
271.08167	3.4
297.11343	3.1
317.06583	7.3
319.07050	1.9
320.61078	2.0
321.05963	2.3
339.07108	5.8
357.08157	7.5
412.44897	2.2
425.07263	6.3
443.08142	24.3
443.13538	2.4
461.09399	13.8
479.10199	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	478.2928
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
51.17691	0.4
55.05513	9.7
57.03438	5.3
57.07070	1.2
62.44395	0.4
65.03922	0.7
67.05507	18.4
69.07069	12.6
71.04981	0.8
71.08626	0.6
71.47164	0.8
71.47506	0.6
78.49799	0.5
79.05494	5.3
81.07059	19.6
83.04971	0.5
83.08618	6.0
85.06541	0.8
91.05481	3.6
93.07037	5.4
95.08604	14.8
97.06523	1.1
97.10187	2.4
99.08056	0.7
105.07054	2.3
107.08617	2.6
108.69807	0.4
109.10153	5.6
111.08059	0.8
119.08586	1.9
121.10146	1.3
123.11737	2.5
125.09576	0.7
130.94519	0.4
133.10123	1.9
135.11673	1.1
137.13205	1.1
147.11647	1.0
149.13232	0.7
161.13268	1.2
198.05281	0.7
201.06229	0.5
220.57532	0.4
226.35609	0.4
237.34981	0.5
263.23743	0.7
306.27896	2.3
337.27365	100.0
338.27835	2.6
391.14865	0.5
422.88379	0.5
481.18741	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2931
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
53.03950	0.7
55.01854	0.6
55.05511	9.7
57.03432	4.7
57.07062	1.9
62.06089	28.1
65.03925	1.0
65.83507	0.6
67.05504	30.7
69.06729	1.0
69.07070	13.4
69.67323	3.3
79.05060	0.8
79.05486	9.1
81.07055	29.3
83.08610	6.3
91.05019	0.5
91.05481	4.4
93.07041	9.8
95.04950	0.6
95.08609	20.2
97.06509	1.4
97.10181	3.4
98.06045	1.7
98.21478	1.2
98.98463	6.7
105.07008	3.1
106.37882	0.6
107.08597	6.3
109.10152	7.7
111.08042	0.7
111.11692	0.7
119.08564	2.9
121.10143	4.3
123.11672	4.1
124.01594	1.9
125.09641	0.7
133.10155	3.2
135.11711	3.1
137.13272	1.6
142.02626	1.6
147.04404	2.1
147.11707	1.7
149.13239	1.4
151.11215	0.9
155.01062	4.4
161.13271	1.8
163.14783	0.9
173.02144	1.8
175.14778	1.1
177.16397	0.7
181.04968	0.6
198.05312	1.5
215.85333	0.6
216.06247	3.6
245.22745	1.1
263.23703	5.9
281.31506	0.6
287.57025	0.5
306.27875	12.7
309.72467	0.7
319.26199	1.1
337.27365	100.0
338.27704	2.7
417.24106	1.3
460.28296	6.7
478.20175	0.9
478.29153	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	478.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	5.9
55.01857	4.3
55.05492	4.6
56.05014	1.2
56.14206	1.2
57.03439	6.1
57.07082	1.7
60.37609	1.2
61.02909	4.6
67.05497	17.0
68.99782	1.8
69.03427	18.8
69.07061	7.6
69.56731	8.0
69.57156	3.7
70.06589	8.8
71.04995	7.0
71.97597	1.4
72.04510	1.7
72.08159	2.4
73.02894	4.9
77.34194	1.2
79.05472	5.7
80.04999	3.5
81.03412	16.8
81.07043	13.4
81.60901	1.3
82.06593	2.4
83.08598	3.3
84.08096	1.6
85.02901	46.8
87.00827	20.1
91.03957	1.6
91.05474	19.9
91.25508	1.2
93.05795	2.3
93.07037	40.5
94.06570	15.1
95.04945	2.9
95.07345	2.6
95.08608	22.2
97.02888	23.4
97.06536	3.1
99.04482	7.2
105.01861	20.5
105.07027	11.3
106.06560	1.4
107.04910	1.7
107.08587	23.7
107.45728	1.3
108.08115	6.9
109.02879	17.3
109.10152	100.0
111.04424	1.5
111.08067	2.2
117.01846	2.6
119.08537	2.1
121.10136	2.6
122.09646	5.0
123.04381	1.4
123.11687	1.3
125.05995	1.4
125.13271	3.2
127.03915	31.4
128.13765	1.3
129.01813	2.6
129.05466	1.6
131.08644	1.5
133.10129	4.3
135.11688	76.7
137.05911	1.6
145.04930	10.4
147.04388	3.0
147.54376	1.2
150.12762	15.1
151.07524	4.2
152.07854	2.2
153.12735	87.7
159.02867	5.9
163.03886	7.2
176.04088	1.3
177.16431	2.4
189.03897	1.4
195.13797	33.4
196.13287	5.0
213.03896	2.5
213.14833	19.8
231.04909	7.4
249.05904	3.2
261.14847	1.6
277.55200	1.4
280.15616	2.5
298.16479	46.4
317.06619	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2845
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	12.7
55.05508	46.0
57.03428	13.2
57.07078	2.8
65.03941	3.1
67.05170	3.3
67.05499	50.3
69.03404	8.1
69.07063	18.7
70.99388	4.0
70.99733	2.2
71.04961	6.5
79.05487	56.0
81.03415	50.5
81.07052	50.0
83.04974	10.6
83.08608	26.8
85.02896	5.1
85.06533	4.0
91.04902	3.1
91.05468	48.5
93.07036	33.0
95.04959	30.7
95.08598	31.2
97.06514	5.9
97.10162	37.7
97.26788	2.0
103.05441	4.3
105.07027	29.7
107.04940	31.8
107.08595	34.7
109.06485	10.9
109.10165	15.4
111.04432	3.3
111.08066	7.6
113.06023	2.2
115.05429	4.6
117.06998	16.3
119.04956	4.4
119.08575	17.6
119.70387	2.1
121.02866	2.1
121.06494	37.6
121.10139	11.3
122.81358	2.3
123.04448	3.6
123.08066	12.6
123.11695	6.3
125.09632	27.3
128.06195	4.1
129.06976	14.7
131.04895	4.4
131.08569	21.6
133.06480	11.0
133.10173	12.3
135.04433	3.0
135.08049	13.0
135.11674	6.9
137.05951	6.3
137.09612	3.4
141.06984	7.6
143.08536	7.7
145.06454	14.5
145.10133	12.8
147.04401	5.3
147.08032	10.1
147.11604	10.9
149.09636	10.5
149.13220	3.8
151.07529	5.1
153.09062	5.6
153.12766	3.0
155.08562	6.5
157.06459	6.4
157.08916	2.0
157.10124	11.5
159.08066	6.7
159.11646	4.6
161.05974	3.7
161.09583	4.3
163.03922	5.8
163.11192	4.8
165.09119	3.1
165.12743	2.1
169.10139	5.6
171.08133	3.3
171.10208	3.4
171.11665	7.1
173.09569	4.9
173.13264	3.5
175.11205	7.8
183.11690	2.7
185.09586	4.0
185.13257	4.8
187.11111	3.1
187.14687	2.7
189.11205	16.0
189.12785	5.5
193.12219	22.9
195.11711	4.5
197.09537	2.9
199.11153	4.8
205.12201	4.3
211.11333	3.7
211.13257	4.9
215.14325	5.6
217.12277	3.2
217.15886	2.5
223.11031	2.8
225.12769	2.0
227.12692	23.6
231.13832	3.3
233.15343	21.1
249.14856	5.2
255.13828	3.5
263.16223	2.9
267.15894	42.9
273.14780	10.3
326.50082	2.4
339.23230	7.7
341.21011	7.5
349.21732	10.1
357.24249	10.3
367.22659	33.4
385.23709	54.2
403.24734	22.8
415.24567	2.7
433.25769	21.4
441.26270	6.9
441.33264	2.7
449.29053	2.7
459.27374	100.0
477.28415	79.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2847
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44673	1.1
53.03941	5.1
53.50930	1.2
55.01867	11.9
55.05509	56.4
56.96554	1.7
57.03433	11.5
57.07068	2.6
59.05001	2.2
64.94352	1.1
65.03935	2.6
67.05503	60.0
69.03418	9.9
69.07063	16.4
71.04974	6.5
71.62834	1.8
79.05489	66.6
81.03414	61.2
81.07053	55.7
82.03764	1.3
83.04979	17.1
83.08614	34.8
85.02908	10.2
85.06526	4.7
91.05476	48.3
93.07042	39.5
95.04965	30.7
95.08047	2.1
95.08611	27.2
97.02879	3.7
97.06517	8.1
97.10163	48.8
99.04495	1.6
99.08099	1.4
103.05472	4.3
105.07026	40.8
107.04956	32.5
107.08590	31.2
109.06491	10.0
109.10143	19.7
110.28721	1.1
111.04478	2.5
111.08082	10.3
113.01257	1.4
113.06023	1.8
115.05475	4.7
116.06220	1.3
117.07018	16.9
119.04951	3.6
119.08572	25.0
121.06490	28.1
121.10147	13.0
123.04470	2.3
123.08078	11.6
123.11655	7.2
125.06033	1.7
125.09627	35.2
128.06229	3.3
129.05583	1.5
129.06995	18.4
131.04924	5.7
131.08563	23.6
133.06477	11.1
133.10121	13.1
135.04414	3.1
135.08046	11.8
135.11684	4.4
137.05989	5.3
137.09641	4.2
137.13321	1.5
139.07565	1.8
141.06984	4.9
142.07774	2.7
143.08580	9.2
145.06477	16.8
145.10106	13.2
147.04413	9.2
147.08025	10.8
147.11665	16.2
149.05949	1.6
149.09595	8.4
149.13284	3.6
151.07532	24.9
151.11131	1.6
153.09073	7.8
153.12752	4.3
155.08578	6.3
157.06468	5.4
157.10115	14.7
159.08060	5.2
159.11700	5.4
160.44426	1.3
161.05998	4.5
161.09642	5.0
163.03906	5.3
163.07477	1.3
163.11165	7.0
165.07082	1.7
165.09132	6.2
165.12779	3.0
167.08530	1.5
169.06367	1.4
169.10078	7.2
171.08078	5.9
171.10364	1.7
171.11664	6.8
173.09630	5.1
173.13222	2.8
175.07617	2.9
175.11159	10.7
177.09135	2.2
177.12750	2.5
181.04955	1.2
181.10156	4.0
183.08098	1.4
183.11681	3.6
185.09573	3.5
185.13301	3.2
187.11182	4.6
187.14847	4.9
189.11230	21.1
189.12802	4.5
191.10751	2.8
193.04997	1.8
193.10455	2.4
193.12225	37.8
194.12604	1.5
195.11722	5.6
195.13646	1.2
197.09691	1.7
197.13210	3.2
199.11238	4.7
203.14343	1.4
205.12231	2.8
209.09686	1.7
209.13306	3.2
211.13242	18.1
211.14955	1.8
213.12755	4.0
215.14333	6.5
217.12199	3.2
219.11618	1.4
223.11301	1.6
223.13310	2.8
225.12717	3.4
227.12663	19.1
231.13824	3.1
233.15353	18.1
235.13287	1.7
237.12752	4.1
241.12250	1.5
241.14226	6.4
243.13792	2.0
245.15474	3.1
249.14903	5.5
255.13869	4.3
257.15289	1.5
259.13309	2.0
261.14987	1.3
267.15881	36.3
273.14810	13.5
287.16269	2.3
289.18063	2.2
291.15997	3.1
293.25284	1.2
309.78113	1.3
311.16364	1.3
311.44272	1.4
327.05435	1.3
339.23074	8.3
341.21176	3.0
341.25104	1.6
349.21567	16.5
357.24298	8.7
367.22662	44.9
368.22925	1.8
375.25388	2.4
385.23724	78.8
386.24112	3.0
403.24738	25.3
405.24246	1.6
415.24921	3.2
423.25171	1.5
431.27820	2.0
433.25772	8.8
441.26315	10.3
459.27390	100.0
460.27747	5.6
477.28513	94.1
477.35553	3.1
478.28949	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.0
55.01858	1.6
55.05510	11.8
55.05761	1.8
55.39818	1.0
56.50203	0.9
57.03430	1.6
57.07069	2.4
59.04997	1.4
60.13934	0.8
60.38602	0.8
61.02910	1.5
63.40026	0.8
66.91238	0.8
67.05496	8.7
68.40717	0.8
69.03427	15.6
69.07074	6.3
71.04990	4.4
71.58951	0.9
71.59396	1.0
78.81239	0.8
79.05462	3.3
81.03411	9.0
81.07047	11.5
83.04981	18.8
83.08610	11.4
85.02905	14.6
85.06547	8.8
87.00847	6.2
87.04474	1.7
91.05460	3.9
93.07043	6.5
95.04959	2.9
95.08598	9.5
97.02899	5.6
97.06517	1.9
97.10171	3.0
99.04452	3.9
99.08080	3.8
101.06035	1.8
105.01862	2.9
105.07019	3.5
107.04960	0.9
107.08600	13.3
109.02868	7.3
109.06503	3.4
109.10151	28.7
111.04449	2.0
111.08057	2.8
113.05984	1.6
115.05459	0.9
117.01826	1.0
117.03353	1.5
117.06954	1.1
119.04939	1.0
119.08578	4.5
121.10125	5.7
123.08072	2.2
123.11703	13.8
125.09647	7.5
127.03910	9.0
127.11194	14.3
129.01823	0.9
131.08563	1.0
133.06427	1.0
133.10164	4.7
134.10434	1.3
135.04451	1.3
135.11691	9.5
135.47371	0.9
137.05988	3.9
137.09593	2.6
145.02884	1.4
145.04926	2.5
146.59468	0.9
149.09557	0.9
149.13261	4.9
151.11130	6.1
151.14848	0.9
159.02899	2.9
163.03920	10.6
167.07068	1.7
167.14313	14.1
169.12234	27.0
175.07512	1.0
175.14900	4.9
185.15367	12.0
193.15883	8.9
209.15273	2.3
211.16925	69.2
229.17987	100.0
230.18356	1.3
231.04886	1.0
253.18120	1.1
403.13254	1.0
408.17407	0.9
459.22223	1.5
468.23499	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1907
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.9
55.05502	3.3
63.00542	0.4
63.02360	0.6
63.16889	0.5
65.03939	1.3
67.05495	2.3
69.07079	1.1
71.59574	0.8
79.05489	4.7
81.03420	1.6
81.07052	4.5
81.45448	0.5
83.08620	1.4
85.02948	0.6
89.03918	7.4
91.05479	16.2
93.07038	3.5
94.38802	0.5
95.04969	1.5
95.08605	1.6
97.06529	0.6
97.10168	1.8
99.23190	0.5
105.07025	10.5
107.04952	3.2
107.08596	3.3
109.06484	0.7
109.10131	1.2
111.08129	0.5
117.03374	7.0
117.07037	0.8
119.04942	22.5
119.08585	1.2
121.06542	0.8
123.08076	0.8
125.09626	1.6
131.08582	1.2
133.06454	0.9
133.10120	4.7
135.04416	21.0
135.11659	0.6
145.02840	11.7
145.06482	0.7
147.04405	100.0
148.04752	1.1
158.05899	0.5
163.03902	97.9
164.04228	0.7
169.10184	0.6
181.05008	1.1
185.51550	0.5
186.05533	0.7
189.11182	0.6
193.12292	0.6
203.13950	0.5
227.12793	1.0
259.13278	0.6
273.14905	0.8
297.14896	4.6
304.02036	0.6
313.14331	11.1
339.27396	0.6
349.21396	0.5
367.22531	1.5
385.23599	3.0
400.47925	0.6
403.24713	0.8
459.27219	3.5
462.31290	0.5
477.28262	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	477.1393
Annotation	Kaempferol 7,4'-dimethyl ether 3-glucoside
Peak:m/z	Relative Intensity
55.01873	0.2
55.05503	0.6
56.96559	0.1
57.03421	0.2
67.05490	0.7
69.03413	0.3
69.07047	0.2
71.59719	0.2
79.05482	0.9
81.03406	0.7
81.07057	1.0
83.04981	0.2
83.08607	0.4
85.02911	0.2
87.05579	0.1
91.05479	0.9
93.07024	0.7
95.04942	0.5
95.08602	0.7
97.06496	0.3
97.10155	0.5
98.97604	0.2
105.07001	0.7
107.04932	0.4
107.08596	0.6
109.02858	0.2
109.06506	0.2
109.10107	0.3
116.98599	0.2
117.07020	0.2
119.04901	0.2
119.08549	0.5
121.06502	0.4
121.10146	0.3
123.04434	0.1
123.08042	0.2
125.09617	0.5
129.07001	0.3
131.04898	0.2
131.08592	0.3
133.06512	0.1
133.10095	0.4
135.04395	0.1
135.08034	0.1
137.05974	0.4
137.09576	0.2
145.06473	0.3
145.10146	0.2
147.04414	0.2
147.08029	0.2
147.11703	0.2
149.09541	0.2
151.07504	0.4
155.08511	0.2
157.10107	0.3
159.08061	0.2
163.03897	0.4
163.11154	0.1
165.09085	0.1
167.03421	0.3
167.07018	0.3
177.00626	0.2
181.04910	0.1
181.12196	0.1
185.09674	0.1
189.11275	0.3
191.10687	0.2
193.12163	0.4
201.00635	0.1
201.71500	0.1
205.12231	0.2
227.12782	0.1
229.04922	0.2
233.15300	0.2
243.06555	0.3
257.04367	0.3
267.15918	0.6
271.06149	0.2
272.06781	17.6
273.07291	0.3
273.14905	0.2
285.03815	0.2
300.06268	35.8
301.06732	0.4
315.08597	100.0
316.08939	1.1
334.17218	0.1
349.21606	0.2
357.24057	0.1
367.22433	0.6
385.23682	0.9
403.24710	0.3
433.25494	0.2
459.27344	1.3
477.13901	2.6
477.28409	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1907
Annotation	Garcinisidone D
Peak:m/z	Relative Intensity
52.48738	0.3
53.03956	0.3
53.34313	0.4
55.05514	1.0
61.64069	0.3
63.02379	0.4
65.03941	1.4
67.05504	1.1
69.07075	0.7
71.59811	0.7
79.05490	2.1
81.03420	0.7
81.07048	2.1
85.06560	0.6
89.03910	3.7
91.05479	13.8
93.07057	1.6
95.04980	0.8
95.08606	0.9
97.06547	0.4
97.10135	0.4
105.07030	10.8
107.04971	1.7
107.08590	1.8
109.10169	0.7
112.75311	0.4
117.03389	4.0
117.07021	0.5
119.04941	21.1
119.08512	0.3
121.02917	0.6
121.10137	0.7
124.09052	0.4
131.08566	0.9
133.10127	9.4
135.04417	9.9
135.11679	0.6
145.02858	7.2
147.04408	100.0
148.04707	0.5
149.09587	0.4
151.11154	0.6
163.03905	73.4
164.04243	0.5
165.05453	0.9
186.05603	0.7
266.09363	0.7
267.15958	0.7
279.10141	1.3
297.14844	9.3
313.14462	4.1
459.26999	0.8
477.18713	1.1
477.28348	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2772
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43887	0.9
55.05511	6.6
57.03437	2.8
57.07073	1.5
62.06086	32.2
67.05502	23.3
69.07067	6.8
70.76456	2.6
73.98566	0.8
79.05492	13.0
81.07051	19.8
83.08618	3.6
85.14477	0.9
91.05480	9.2
93.07039	19.6
95.04966	2.1
95.08594	15.6
95.17881	0.9
97.06543	1.1
98.06071	1.2
98.21410	1.1
98.98462	7.2
105.07033	5.1
107.08592	9.6
109.10138	7.3
119.08582	3.9
121.10128	6.4
122.43852	1.1
123.11702	2.0
123.14268	0.9
124.01617	2.2
131.08571	2.6
133.10167	3.8
135.11716	3.9
142.02686	1.5
145.10146	2.3
147.11699	3.0
149.13336	1.7
155.01048	3.8
155.56853	1.0
159.11681	1.8
160.73430	0.9
161.13219	1.3
163.14795	1.1
173.02162	3.0
173.13254	2.0
176.65222	1.1
198.05269	2.1
216.06363	3.1
243.21143	2.5
261.22089	8.2
304.26410	9.8
316.89316	1.0
317.24762	1.9
335.25793	100.0
336.26163	1.1
415.22531	1.8
458.26584	7.5
476.27759	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	477.1908
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.4
55.01880	0.2
55.05508	1.1
56.96552	0.5
57.03440	0.3
61.02920	0.3
63.02365	0.4
65.03947	0.9
67.05499	1.9
69.03397	0.3
69.07072	0.6
69.90374	1.5
71.05006	0.3
71.92279	0.2
73.02923	0.3
75.68362	0.2
79.05489	2.6
81.03410	1.4
81.07059	2.4
83.04987	0.5
83.08627	1.0
85.02914	0.7
89.03910	5.4
91.03934	0.3
91.05476	12.3
93.07041	1.8
94.07354	0.3
95.04963	1.6
95.08603	1.1
97.02907	0.3
97.10159	0.5
103.05496	0.3
105.07025	10.6
107.04954	2.3
107.08601	0.9
107.50177	0.3
109.06513	0.3
109.10185	0.7
113.05993	0.2
117.03378	6.1
117.06988	0.4
119.04939	21.9
119.08593	0.7
121.06490	0.4
121.10134	0.4
125.09639	0.6
129.07018	0.4
131.08563	0.8
131.99934	0.3
133.10127	8.7
135.04414	13.9
135.11746	0.4
137.05984	0.4
139.07544	0.3
145.02841	8.7
145.03996	0.5
145.10051	0.3
147.04404	100.0
148.04736	1.0
149.09604	0.3
157.10188	0.5
158.06064	0.2
161.09491	0.3
163.03899	73.6
164.04239	0.3
165.05469	1.0
175.11203	0.5
181.05032	0.4
186.05473	0.4
193.12305	0.8
200.48613	0.3
227.12633	0.3
250.38840	0.2
267.09052	0.8
267.16046	1.3
269.15317	0.3
285.09924	1.1
290.06302	0.3
297.14841	4.7
299.11615	0.3
315.10941	0.9
315.61102	0.3
367.22519	0.4
385.23529	0.7
420.17178	1.2
420.67316	0.4
441.25912	0.3
445.69464	0.3
459.27420	1.8
477.28455	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2771
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75972	0.4
53.03948	0.5
55.05306	0.5
55.05517	4.4
55.50738	0.3
57.03187	0.4
57.03437	4.2
62.06089	0.3
65.03925	0.9
67.05504	18.8
69.07063	4.7
70.74239	1.0
71.04977	0.4
79.05494	9.6
81.06577	0.8
81.07056	15.9
83.04993	0.6
83.08611	1.9
91.05481	4.2
93.07044	11.0
95.04947	1.3
95.08604	13.4
97.06553	0.6
97.10169	0.6
97.28037	0.4
97.95238	0.4
98.06030	0.4
98.98479	0.6
105.07038	2.5
107.08588	4.4
109.10159	5.0
111.08094	0.5
117.07003	0.8
119.08579	2.1
121.10143	4.0
123.08120	0.4
123.11715	2.0
124.01599	0.3
131.08591	1.3
133.10141	1.5
135.11682	1.9
137.13283	0.5
144.12395	0.3
145.10120	0.8
147.11702	0.8
149.13271	0.7
159.11726	0.5
161.13271	0.5
216.06354	0.7
261.22275	0.5
304.26370	3.1
335.25793	100.0
336.26129	2.6
366.27634	0.3
388.27795	0.4
455.53815	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.3
54.35963	1.0
55.01873	1.6
55.05512	2.4
57.03431	0.9
57.95546	1.0
59.08687	1.1
63.47934	1.0
66.37737	0.9
67.05500	2.5
68.99812	1.0
69.03435	4.9
69.07047	3.0
71.04342	2.4
71.04988	2.5
73.02931	1.1
76.50890	0.8
77.38106	1.0
79.05458	1.5
81.03416	4.5
81.07049	7.8
85.02902	16.0
87.00831	5.1
91.05479	3.1
93.07056	5.0
95.08604	10.6
97.02889	4.3
99.04430	1.6
99.08104	5.6
105.01871	6.1
105.07017	7.1
107.08605	10.1
109.02900	5.6
109.10159	1.8
113.09641	1.5
119.08578	51.9
120.08895	1.4
123.11706	3.5
127.03921	8.7
133.10130	94.7
134.10428	1.4
135.11700	15.7
145.04950	3.2
147.11656	2.2
159.02824	2.5
160.12445	1.1
160.91965	0.9
164.60629	1.0
170.24159	1.0
175.14825	100.0
176.15152	1.3
193.15886	30.0
211.16931	31.9
231.05000	3.3
253.32599	1.0
254.13503	1.0
476.21112	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2772
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77636	0.9
53.03941	1.8
55.01887	0.8
55.05515	6.8
55.05735	1.4
57.03439	7.2
57.07062	1.3
59.73927	0.8
62.06088	1.5
65.03935	1.3
67.05501	34.6
69.07059	4.8
71.59503	1.0
79.05489	15.2
81.03417	2.0
81.07053	28.7
83.04968	1.7
83.08631	2.9
85.06569	1.5
91.05481	12.4
93.07038	21.5
95.04979	2.3
95.08601	18.7
97.06560	1.6
97.10135	2.0
105.04517	1.0
105.07020	6.3
107.04914	2.1
107.08595	11.6
109.10145	9.3
111.04323	0.8
117.07012	2.3
119.04939	3.4
119.08573	3.2
121.06510	2.1
121.10135	5.3
123.11720	3.0
131.08563	5.1
133.10080	1.8
134.07462	0.9
135.11682	5.3
137.13239	1.7
145.10141	2.7
147.04402	12.9
147.08076	1.5
147.11713	1.6
149.06099	0.9
149.09587	1.4
149.13266	2.6
150.77977	1.2
159.08060	1.1
159.11688	2.3
161.13240	0.9
163.03903	6.9
163.11371	0.9
163.14809	1.7
168.47900	1.0
173.13351	1.8
175.07549	1.2
175.14732	0.9
214.87640	0.9
221.81180	1.0
243.21101	2.1
261.22156	3.5
275.28659	1.1
304.26300	2.6
317.24814	1.7
335.25778	100.0
336.26010	1.5
341.54056	0.9
384.22238	1.0
453.12894	1.4
458.26620	3.7
476.27408	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	476.2772
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.0
54.91531	0.4
55.05266	0.5
55.05513	6.4
56.05027	0.5
57.03439	5.3
57.07064	1.6
62.06104	0.6
65.03942	1.1
67.05506	26.4
69.07068	4.6
69.27402	5.3
71.04989	0.6
79.05497	13.2
81.03403	0.6
81.07058	24.4
83.04980	0.6
83.08615	2.8
85.06554	0.9
91.05482	7.4
93.06469	0.9
93.07043	16.2
95.04964	1.9
95.08606	16.0
97.06531	1.0
97.10177	1.3
98.06054	1.0
98.98453	0.9
105.07029	4.2
107.08592	8.3
109.06513	0.7
109.10157	5.3
114.97088	0.5
117.07016	2.7
119.04968	0.6
119.08598	3.4
121.10146	4.4
123.11716	2.4
124.01571	0.6
124.78945	0.5
125.09655	0.6
129.05563	0.4
131.08562	4.4
133.10120	2.0
135.11694	3.6
137.13199	0.8
145.10097	2.4
147.04388	2.6
147.11693	1.4
149.09558	0.7
149.13274	2.2
151.14806	0.5
159.11705	1.4
161.13231	0.9
163.03880	1.2
163.14850	1.2
173.13301	1.5
187.14922	0.6
198.05283	0.7
216.06381	1.2
239.09200	0.5
243.21086	2.0
261.22174	1.9
297.57553	0.5
304.26328	5.1
316.76190	0.5
317.24731	1.0
335.25800	100.0
336.25958	1.5
476.27222	0.7
499.96457	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.2
55.05502	1.8
57.03436	9.7
59.04988	0.6
61.02917	0.8
67.35516	0.6
69.03431	1.9
70.91071	1.3
71.01350	0.6
71.04992	74.5
73.02913	2.2
75.04484	5.8
77.91524	0.5
81.03421	0.8
83.04982	5.5
85.02903	100.0
87.04475	2.8
97.02850	3.0
99.04445	1.7
101.06025	0.8
103.03863	0.6
104.97967	0.7
109.10169	1.0
111.04433	4.4
119.08543	1.0
123.04433	2.0
127.03918	3.9
129.05476	50.3
133.10126	1.1
145.04959	3.7
147.06512	29.1
151.07523	3.4
163.03897	0.8
163.06027	0.8
164.09164	5.1
175.14844	2.6
180.08632	1.0
193.15857	1.3
217.08543	0.8
255.08662	2.4
273.09720	1.0
276.87476	0.6
301.07083	1.1
309.11908	0.8
315.15619	0.6
434.62689	0.6
455.71252	0.6
502.33936	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09663	6.3
52.81465	6.1
55.01872	8.7
57.03439	51.4
60.04512	11.2
61.02913	15.3
69.03438	52.1
70.88419	23.2
73.02922	98.8
74.08109	7.0
81.03413	13.5
85.02906	100.0
89.17439	7.1
91.05502	21.0
93.07057	8.5
95.04963	8.1
97.02886	75.8
98.97574	10.3
107.04961	83.2
110.00800	6.7
115.03904	55.2
116.98640	6.3
119.04957	22.0
120.04465	37.6
121.06521	48.9
123.04435	23.2
125.24632	7.3
127.03950	22.5
128.98648	7.1
133.04973	17.6
135.04381	11.4
137.05991	21.4
139.23924	6.9
145.04967	25.9
145.06514	13.0
147.04396	33.2
147.08070	13.4
154.08580	6.9
163.06026	15.3
163.07480	7.2
163.95090	7.2
164.07050	39.3
165.05467	26.8
165.09135	21.0
166.05028	35.3
175.07697	9.5
176.09224	36.5
180.10155	17.6
182.08124	34.3
182.11835	43.8
187.07573	20.3
206.10352	9.0
217.08633	18.7
229.08685	14.1
235.09615	18.0
237.02791	13.9
241.07069	11.4
247.09708	18.1
265.10788	14.4
295.10245	11.7
324.15240	7.9
344.13077	14.1
344.17032	35.4
469.10095	8.2
476.21722	46.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.5
55.01862	3.5
57.03435	48.0
59.04979	1.1
61.02639	1.4
61.02927	19.0
69.00179	0.9
69.03427	66.9
71.01354	5.3
71.04991	2.3
71.20769	0.9
71.21127	2.0
73.02914	99.1
79.05480	1.2
81.03413	13.9
83.01309	0.9
85.02903	94.3
87.04465	4.0
91.03943	2.2
96.04482	1.4
97.02889	42.4
97.43059	1.0
99.04448	10.0
101.02384	2.2
103.03943	4.3
103.05423	1.0
105.07026	16.4
109.02890	7.4
115.03927	53.1
124.05203	24.7
127.03913	38.1
132.06563	2.2
133.04968	16.1
133.06479	12.6
137.05118	0.8
137.05969	22.1
144.06570	2.6
145.04955	37.7
150.07629	5.0
162.07622	5.3
163.03943	1.5
163.04947	0.7
163.06013	59.3
165.09109	100.0
166.09430	1.0
173.04500	2.2
177.09167	0.9
180.08659	3.4
181.07089	3.5
187.07578	1.3
199.06076	1.8
201.09143	1.7
213.07498	1.8
227.10486	1.1
231.10115	2.2
241.07065	48.7
259.08099	3.0
261.11295	2.3
277.09171	3.8
291.12433	1.5
294.11850	2.9
295.10291	4.7
339.93658	0.9
355.54977	0.9
406.27301	0.9
408.68741	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3419
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.5
55.05505	2.0
57.07067	0.6
67.05505	5.8
68.77242	0.3
69.03417	0.9
69.07064	1.8
69.99802	0.6
70.00231	1.7
71.04988	0.4
79.05489	2.3
81.03399	1.3
81.07056	5.8
83.04958	1.4
83.08624	1.0
85.02897	0.8
91.05478	3.0
93.07053	2.4
93.33015	0.4
95.04948	1.1
95.08605	5.3
97.10166	1.3
105.07034	1.9
107.04941	1.4
107.08572	2.1
109.06502	0.9
109.10149	7.8
111.04445	0.6
112.84705	0.4
117.03371	0.5
119.04880	0.8
119.08571	3.1
121.02814	0.4
121.06540	0.8
121.10132	1.7
122.07272	1.4
123.08050	1.2
123.11692	1.3
125.09613	0.5
127.11172	0.5
129.06976	0.6
131.08508	0.4
133.10095	0.6
135.04372	0.4
135.08022	0.6
135.11673	1.2
137.05986	1.5
137.09615	9.8
139.07625	0.4
145.06458	0.6
145.10150	0.8
147.04387	1.4
147.08051	0.7
149.06041	0.5
149.09622	1.8
149.13203	0.7
151.07487	0.8
151.14819	1.0
159.11717	0.5
161.06021	0.8
163.03923	2.9
163.11121	0.8
165.09111	100.0
166.09450	0.9
167.07030	1.3
173.06029	0.4
177.09084	0.8
179.10641	0.9
185.09654	0.4
187.11209	0.5
203.10625	0.6
205.12283	3.9
225.39757	0.4
227.12875	1.0
227.15022	0.4
323.25729	1.2
383.21982	1.1
429.33786	0.7
457.25717	1.4
457.32605	0.7
475.16812	0.5
475.26801	3.6
475.34018	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	8.6
58.06611	0.6
59.04997	0.7
61.02911	2.3
69.03071	0.8
69.03431	8.7
71.01351	0.8
71.04974	0.8
71.25775	0.6
71.26123	1.1
73.02918	18.8
79.05486	0.7
81.03423	0.7
85.02905	12.3
87.04459	0.9
87.41396	0.6
91.03960	0.6
91.05479	1.4
97.02891	10.9
107.04952	100.0
108.05285	0.7
109.02901	1.0
115.03931	11.9
127.03912	3.2
131.04938	2.0
133.04947	4.6
137.05994	0.6
137.58073	0.5
145.04965	3.3
146.50699	0.5
149.05975	3.9
150.07648	1.3
163.03903	1.3
163.06027	1.1
165.09120	33.1
165.57321	0.6
173.05966	1.2
173.48401	0.5
189.09097	1.2
203.07111	0.7
207.10219	1.3
223.06085	0.9
231.10197	1.2
241.07169	1.5
244.12912	0.5
259.08221	2.1
265.27002	0.6
295.10278	1.8
338.07538	1.3
348.62634	0.6
356.08560	0.6
430.14676	0.9
476.17990	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2818
Annotation	Unknow
Peak:m/z	Relative Intensity
59.94832	0.4
67.05487	0.4
67.37347	0.4
72.47527	0.3
80.54175	0.4
81.07048	2.0
87.05801	0.4
95.08599	0.8
100.29112	0.4
143.99837	0.4
154.72652	0.4
175.10905	0.4
187.01973	0.9
187.03658	17.7
194.64148	0.5
228.06294	0.5
255.37741	0.5
323.16162	6.4
339.15689	14.2
364.18723	0.6
475.28162	100.0
476.28351	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	475.3054
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94236	0.2
55.05259	0.2
55.05504	2.0
56.88844	0.2
57.03418	0.7
57.07056	0.7
65.03927	0.7
67.05493	1.2
69.07062	1.7
69.54337	0.5
69.54764	0.9
71.08630	0.3
79.05489	0.7
81.07053	1.9
83.08615	1.0
89.84932	0.2
91.05475	6.7
93.07014	0.8
95.08595	1.4
97.02872	0.2
97.06515	0.3
97.10150	0.7
107.04966	0.3
107.08593	0.5
109.10130	0.5
115.20153	0.2
119.04933	19.3
120.05267	0.3
121.10117	0.5
123.04497	0.2
123.11741	0.2
135.11700	0.2
137.13231	0.2
147.04398	100.0
148.04723	1.2
149.13202	0.2
165.05470	1.6
175.39159	0.2
185.05928	0.2
221.08136	0.2
313.27322	0.4
315.65649	0.2
420.43173	0.2
475.30676	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	475.3268
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.0
55.01869	2.5
55.05515	5.4
56.96005	1.1
57.03440	15.5
57.06785	1.4
57.07074	39.3
61.02926	47.5
67.05508	14.3
69.03074	1.6
69.03431	25.7
69.07063	11.0
69.87923	1.9
69.88333	3.7
71.01349	3.0
71.05001	3.1
71.08630	30.0
73.02912	23.0
75.04472	2.1
79.05482	3.4
81.03420	13.6
81.07055	20.9
83.04991	2.1
83.08614	14.9
85.02905	44.7
85.09702	2.0
85.10181	18.3
87.04466	1.6
89.06036	1.4
91.03947	32.0
93.07040	1.1
95.08607	31.3
97.01486	1.1
97.02888	37.8
97.10181	4.9
99.04461	9.2
99.11729	1.3
101.02380	9.3
103.03931	7.3
105.07049	1.5
109.02879	10.4
109.10161	12.2
111.04439	1.3
111.11718	2.3
115.03961	3.7
117.05522	2.6
121.10179	1.4
122.53712	1.0
123.11711	4.6
125.13298	1.6
127.02978	1.4
127.03916	18.7
129.05479	4.5
133.10184	2.0
137.13245	3.6
138.54056	0.9
139.14809	1.1
145.04964	10.2
147.04401	2.5
151.14833	1.4
159.06549	2.7
165.16328	1.1
183.06525	5.7
201.07600	5.0
221.22679	1.8
239.23689	29.3
257.24768	2.8
298.27292	1.0
313.27362	100.0
314.27811	1.9
317.94376	1.0
341.26892	4.5
355.28351	3.2
383.27866	2.0
421.28979	1.0
439.30844	1.4
457.31381	6.7
458.33264	1.2
475.32748	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	475.1128
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05532	1.0
55.11899	1.2
55.34538	1.0
55.86084	0.9
56.96291	1.8
56.96561	24.4
57.03431	11.8
60.04517	1.2
61.02925	3.7
65.98369	1.0
68.55618	0.9
69.03428	6.8
69.92082	6.6
70.06587	1.3
71.05011	6.0
71.05316	0.9
73.02917	21.9
74.97625	1.7
77.55820	1.0
81.03410	2.4
84.08133	1.4
84.96024	6.9
85.02431	1.2
85.02908	20.0
87.04465	2.2
89.03949	1.4
91.03958	1.8
91.05486	8.2
97.02892	11.4
98.97582	84.4
107.04974	8.7
109.02859	1.7
110.97556	7.9
111.04483	1.2
112.99163	1.9
115.03947	5.4
115.97843	1.6
116.98618	81.9
119.04925	8.9
121.06508	4.8
122.06834	1.4
123.04429	1.5
127.03905	3.9
128.98596	17.2
129.10175	1.4
131.00189	5.5
131.01772	1.2
133.04875	1.4
133.06473	1.4
134.99654	55.9
135.04396	2.6
136.06155	1.2
137.05962	5.0
140.00226	3.7
143.00183	4.0
145.04886	2.2
146.99637	27.8
147.04364	3.0
149.01222	5.0
151.07553	4.1
152.48605	1.1
153.00710	5.3
158.01225	2.9
158.99649	20.3
161.01199	10.2
162.99153	2.1
163.03908	6.7
165.00731	4.7
166.92281	1.0
168.06496	1.2
169.03311	1.1
170.01019	0.9
170.99661	5.6
173.01233	2.4
173.02728	1.2
177.00716	38.3
178.03847	1.5
179.02249	2.8
179.07019	1.8
182.99657	1.2
189.00708	7.4
193.01816	1.7
194.99872	1.3
195.01773	4.1
197.01251	2.7
197.30751	1.6
199.02875	1.2
200.02252	2.2
201.00735	2.2
203.02274	2.2
209.01279	1.3
211.02724	2.9
212.00072	5.3
212.01848	1.2
213.00717	2.6
213.04399	2.4
219.01729	29.6
223.02815	1.5
226.01476	4.3
227.02252	5.2
230.00995	4.5
234.01912	1.5
235.02786	13.2
235.05438	3.0
237.02791	67.9
238.01314	6.4
238.03545	1.7
239.02350	1.4
241.03809	9.8
242.03569	2.5
242.06143	1.4
244.02545	1.7
244.06001	1.7
245.03331	3.7
245.46521	1.1
250.55922	1.3
251.02293	5.2
251.06528	1.1
253.03813	18.4
255.01561	1.8
255.03485	5.1
255.57278	1.1
256.02521	5.6
259.04919	3.7
260.02005	2.0
260.04538	2.7
261.04242	1.4
265.03821	1.9
269.03320	24.7
271.04886	13.2
276.05420	2.2
277.03857	12.0
278.02936	1.1
279.05319	3.1
283.04617	1.3
287.04407	4.4
289.05887	1.6
292.04675	1.2
295.04880	22.5
299.04251	1.3
311.04361	11.2
313.05905	5.4
317.08823	6.0
317.59012	1.2
325.08755	1.9
337.06113	8.5
339.07166	1.3
343.15237	1.6
349.11682	1.5
355.06955	2.6
397.08279	2.0
415.09103	100.0
416.09570	3.1
433.10162	82.8
434.10413	3.7
450.11981	1.2
456.11691	3.5
465.62723	1.5
466.13647	1.9
469.09964	9.6
470.10315	2.7
475.11172	26.2
476.11432	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	6.5
59.05014	1.7
65.22621	1.1
69.03427	15.6
70.06589	1.8
70.86063	1.1
71.05010	5.3
71.08632	4.3
71.59305	1.0
71.59681	1.3
72.08148	2.4
73.47846	1.0
79.05476	1.6
81.03405	1.8
81.07050	8.1
84.08136	1.6
85.02894	15.0
86.09689	2.6
87.04455	10.1
87.86031	1.1
97.02884	14.3
99.08094	16.8
102.02555	1.2
107.05025	1.2
109.02901	1.3
109.06520	13.7
109.07323	1.2
109.07575	1.2
115.03918	16.2
117.09128	100.0
121.02880	4.2
121.06526	2.6
126.10313	1.7
127.03926	1.9
127.07552	36.7
127.08466	2.1
129.05504	1.6
129.10219	1.5
133.04958	14.4
145.04893	1.1
145.08620	2.5
147.04373	1.3
151.72430	1.3
163.03853	2.1
163.09653	67.1
164.70168	1.0
177.05318	1.4
256.77197	1.1
325.06647	1.3
337.07108	1.7
345.07657	1.3
355.08481	1.6
402.58472	1.2
475.17310	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2614
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	1.2
55.05507	7.6
56.96576	1.2
57.03433	4.7
57.07043	1.3
59.82721	1.1
65.11744	1.1
67.05504	17.7
68.26366	1.2
69.07065	6.3
71.04978	1.0
71.62616	1.7
79.05493	18.1
80.33138	1.2
81.03391	2.3
81.07058	17.6
83.08612	3.2
88.71448	1.2
91.05476	21.7
93.07038	22.5
93.07611	1.2
95.04971	3.3
95.08608	13.6
97.06490	1.7
105.07028	17.8
107.08590	13.6
109.06493	1.5
109.10166	4.0
117.07011	4.9
119.04964	2.7
119.08566	12.2
121.10133	6.6
123.11727	2.2
129.07005	2.3
131.08528	6.2
133.10100	9.7
135.11667	5.8
143.08545	2.4
145.10139	3.8
147.04419	8.9
147.11684	5.0
148.04756	2.0
149.13234	2.4
157.10236	1.6
159.11644	1.9
161.13252	2.6
171.11662	3.6
171.78059	1.2
173.13258	1.7
175.14801	1.3
185.13188	1.2
239.02359	1.8
241.19608	1.6
243.09230	1.2
257.03275	2.0
259.20636	3.7
272.31586	1.1
273.02768	1.6
315.23233	1.8
333.24231	100.0
334.24512	2.6
434.11301	1.9
452.12448	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2663
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33611	0.8
71.60584	1.1
73.41772	0.8
81.07059	6.5
95.08604	1.8
98.30842	0.7
146.47112	0.9
169.95798	0.8
238.21248	0.8
253.08510	2.1
279.10083	1.1
292.97717	0.8
321.51437	1.0
337.14099	45.5
338.14462	1.1
473.26697	100.0
474.26996	2.6
496.24243	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.197
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.1
55.01859	1.4
55.05490	1.7
56.05016	0.7
56.96539	0.8
57.03432	11.6
58.06563	1.0
58.45717	0.5
60.04537	0.6
61.02928	4.1
63.95215	0.7
69.03427	14.4
70.06594	1.5
71.01346	2.1
71.04989	4.3
71.61776	0.9
72.08140	2.6
73.02912	25.3
74.06062	2.5
81.03398	2.7
82.06561	1.4
82.47214	0.6
83.04974	1.2
84.04493	2.2
84.08138	0.7
85.02896	24.3
86.06049	2.3
86.09711	2.0
87.04454	2.2
91.03948	0.9
91.05473	5.6
93.07030	1.3
95.04941	1.0
96.04488	0.6
97.02886	18.9
97.03510	1.1
98.06034	1.6
99.04432	2.3
102.05563	0.6
103.03925	1.4
103.05450	1.9
107.04961	5.6
109.02864	2.2
109.06520	0.6
110.06028	3.0
111.04430	2.4
113.02389	0.9
114.05500	1.3
115.03923	11.5
115.05453	1.0
117.07021	1.8
117.09076	1.2
119.04972	3.8
121.02840	2.2
121.06503	15.1
122.05972	1.3
123.04414	2.3
126.05502	2.1
127.03922	6.5
128.07037	1.3
129.05458	1.4
131.04919	0.9
133.04968	3.7
133.06474	1.0
133.12204	1.0
134.05974	1.7
134.09676	1.1
135.04347	0.8
135.08017	0.8
136.07538	1.3
137.05957	4.2
138.05487	1.1
139.03893	1.8
145.04974	5.3
145.06442	3.3
146.06042	1.2
146.99678	0.9
147.04402	0.7
147.06749	1.4
156.06555	2.1
158.08130	0.7
160.07491	0.8
162.09129	21.6
163.03926	1.5
163.06212	1.0
163.07515	5.0
163.09659	0.9
164.10660	1.0
168.06531	0.7
174.07613	9.3
179.03413	2.4
180.03696	2.0
180.10187	100.0
181.10504	1.5
183.61015	0.6
185.01329	0.6
186.07631	2.0
204.08647	8.1
219.02969	1.3
239.06973	0.7
261.03833	1.8
263.09222	0.6
266.08109	3.9
273.03940	0.8
292.06061	2.4
293.06396	2.3
294.06644	4.5
303.05002	0.7
310.07187	1.2
312.08322	4.1
317.58871	0.7
328.15329	1.1
336.13132	3.4
339.07101	0.7
342.15454	16.2
343.08243	0.8
397.09409	0.8
444.36880	0.6
455.93564	0.7
474.19852	5.8
475.17529	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2659
Annotation	Unknow
Peak:m/z	Relative Intensity
55.86167	0.9
56.67247	1.0
69.26985	10.5
69.27388	1.4
81.07066	3.7
95.08636	1.5
98.20704	2.3
118.83653	0.9
138.24437	1.0
185.93771	1.0
260.50180	1.0
273.79657	1.0
337.14081	43.3
473.26859	100.0
474.27264	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	473.266
Annotation	Unknow
Peak:m/z	Relative Intensity
71.34251	0.9
71.34605	0.4
81.07049	1.0
84.01420	0.4
84.84224	0.4
90.78786	0.4
97.84709	0.4
122.24731	0.4
159.07817	3.4
173.09579	0.4
174.10234	0.6
187.03665	9.9
228.06436	0.4
281.62167	0.4
294.20792	0.4
312.77869	0.5
316.18134	0.4
322.15305	1.5
323.16147	6.9
337.14069	9.8
340.16324	0.5
364.18890	1.1
398.30658	0.4
410.59048	0.4
473.26617	100.0
474.26999	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	471.1651
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14436	0.8
55.05499	1.4
57.03433	1.8
65.03957	1.1
65.66313	0.9
67.05479	1.6
70.53413	1.8
71.04989	12.3
78.23032	0.8
79.05454	0.9
81.07024	1.5
83.04987	2.4
85.02906	14.4
89.03949	1.8
91.05487	14.8
93.07017	1.5
95.08606	1.5
105.07029	1.5
105.47722	0.9
107.08604	1.1
109.10158	1.2
110.87059	0.9
117.03371	1.4
119.04950	26.6
129.05489	2.7
129.55960	0.9
135.04430	3.5
145.02838	3.0
147.04410	100.0
148.04790	1.1
163.03914	30.2
187.35193	0.8
193.98918	0.8
199.14807	0.9
289.78732	0.9
307.11752	4.2
325.09454	1.0
400.85086	0.8
417.51154	1.0
453.15695	1.3
471.34708	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.1643
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.1
55.05516	1.3
56.96564	8.6
57.07071	4.8
65.03904	0.9
67.05183	1.0
67.05502	7.9
69.07047	1.6
70.16269	4.0
71.04967	1.3
79.05477	4.5
81.07056	71.1
85.02878	2.2
91.05455	2.2
93.07006	2.1
95.08600	12.2
98.97592	7.0
105.07010	3.1
107.08589	1.7
109.06496	3.9
109.10117	2.8
116.98608	10.1
119.04952	5.5
120.36261	1.1
121.10106	1.2
123.11703	100.0
124.11979	1.3
133.10110	1.6
134.99657	14.2
140.00110	1.3
147.03250	1.2
147.04402	23.8
153.00693	3.4
158.01215	2.3
163.03891	2.9
164.04239	2.1
211.02905	1.2
213.04300	4.1
221.01234	1.1
225.07918	1.7
239.02263	14.7
243.09045	6.1
257.03311	21.6
261.10019	3.0
262.03806	2.9
263.02451	2.9
267.08954	1.7
280.04727	1.5
299.04214	1.0
320.83072	1.1
353.10498	5.6
361.06631	1.1
371.11533	6.3
389.12811	1.3
394.13358	1.4
413.12531	3.8
431.13791	59.8
432.14160	1.7
449.14838	81.6
450.14929	2.2
472.10168	1.9
472.16391	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	473.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.7
55.01866	0.7
57.03421	1.0
61.02924	0.4
67.05515	0.3
69.03426	3.2
70.65503	0.7
70.65866	0.5
71.04989	2.6
73.02909	0.5
79.05486	0.7
81.03422	2.4
85.02905	7.6
86.03258	0.4
86.09709	0.4
87.00836	2.2
89.03910	0.5
91.05483	0.7
92.47897	0.3
93.07055	1.9
97.02884	2.3
97.06463	0.3
99.04453	0.7
105.01859	1.3
105.07009	1.3
107.04936	0.3
107.08585	0.5
109.02882	2.1
117.03365	0.8
119.04956	0.3
119.08595	0.7
121.10139	2.9
123.04426	0.7
123.08092	0.6
123.11703	0.3
127.03896	4.2
129.05473	0.4
131.04947	0.3
135.04410	2.4
135.07990	0.4
137.06003	0.7
137.09624	1.8
145.02829	1.1
145.04950	1.8
147.04411	0.5
147.11623	0.7
147.92172	0.4
149.09613	100.0
150.09947	1.6
159.02902	0.8
161.13226	0.4
163.03896	9.5
164.04221	3.2
165.04387	2.6
165.09175	1.2
171.11667	0.5
174.10397	0.9
189.12735	7.1
207.13792	18.1
220.38394	0.3
225.14880	1.3
229.08469	0.3
231.04892	0.6
256.17569	0.3
295.06082	0.7
312.08920	0.4
413.18613	0.4
473.09613	0.5
473.21030	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	7.1
55.01871	5.2
55.05510	8.2
57.03434	8.0
61.02924	2.6
65.03934	1.3
66.09062	1.4
67.05502	3.8
68.99783	2.2
69.03432	23.7
69.07043	1.3
70.06590	1.6
71.04990	28.5
72.05334	4.4
73.02914	4.7
74.94774	1.4
75.45691	1.3
75.73795	1.7
79.05494	3.6
81.03416	21.1
81.07048	4.4
83.04977	22.1
85.02902	63.9
86.03246	4.6
86.09711	1.4
87.00820	14.6
87.04460	1.8
89.03899	2.2
90.13863	1.3
91.05482	3.3
93.07049	3.6
95.04965	100.0
95.08606	2.9
97.02882	13.0
97.06560	1.6
98.21531	2.5
99.04452	37.2
103.03931	1.5
105.01870	12.7
105.07034	4.8
107.04952	2.1
107.08607	5.5
107.58726	1.5
109.02877	22.3
109.06519	6.8
109.10157	9.7
111.08067	1.8
117.01855	2.0
117.03383	1.9
119.08596	5.9
121.10126	6.4
123.08063	6.6
123.11634	1.7
125.09610	5.3
127.03916	33.8
129.01863	1.8
129.05493	5.6
130.05869	2.3
131.08553	2.4
133.10129	4.8
135.04424	4.1
135.08098	2.9
137.06000	4.0
137.09601	4.1
145.02844	3.3
145.04961	11.7
145.10141	3.1
147.02884	2.9
147.06445	1.4
147.08000	2.1
147.11678	4.5
148.96432	1.3
149.09625	13.6
153.09087	27.8
155.10703	2.1
159.02914	8.6
161.09554	1.5
161.13249	4.0
163.03899	33.7
163.07594	1.7
163.11197	3.8
164.04218	15.5
165.04378	8.9
165.12747	2.7
171.11697	1.7
173.13298	2.2
179.64331	1.5
189.03932	2.9
189.12776	9.2
191.14221	1.7
197.11731	3.6
207.13795	14.4
225.14862	55.2
229.34157	1.4
231.05034	4.5
234.99110	1.9
359.26660	1.4
421.05975	1.5
455.19183	1.8
473.14185	2.1
473.19891	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	471.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29760	0.3
53.03931	0.4
55.05496	1.0
57.03437	4.1
59.05005	0.3
61.02901	0.3
63.02372	0.4
67.05491	0.4
69.03430	1.9
69.37622	2.8
71.01343	0.6
71.04990	24.4
73.02913	0.6
75.04462	1.1
79.05481	0.9
79.67736	0.2
81.03400	1.0
81.07047	0.6
83.04968	2.3
83.20655	0.3
85.02901	31.8
87.04454	1.0
89.03072	0.3
89.03910	5.1
91.05450	0.6
95.04957	0.7
95.08548	0.4
97.02874	1.2
99.04426	0.7
103.24612	0.3
107.04942	1.5
107.08593	0.4
109.02858	0.7
109.10162	0.3
111.04440	1.6
117.02604	0.5
117.03373	6.7
123.04414	0.5
127.03909	1.6
129.04498	0.4
129.05469	8.1
135.04411	14.2
137.05974	0.6
145.02837	10.5
145.03975	0.6
147.04401	1.4
147.06520	1.3
153.05464	0.3
163.03896	100.0
164.04272	1.5
165.05527	0.4
173.04509	0.3
175.32816	0.2
175.48917	0.2
177.05484	0.3
181.04945	0.9
186.05472	0.4
255.08701	0.4
274.63687	0.3
291.08527	0.4
307.08197	0.6
309.09607	0.9
309.27921	0.3
325.09183	3.5
471.15021	3.4
471.25449	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36896	0.3
52.23870	0.4
53.03942	0.6
55.05500	0.7
55.59995	0.3
55.61380	0.4
57.03437	4.0
61.02892	0.4
66.22980	0.3
69.03425	2.0
70.18675	1.5
71.04992	18.5
73.02889	0.5
75.04469	1.2
76.30719	0.4
79.05480	1.0
81.03410	1.2
82.66778	0.3
83.04964	1.7
85.02901	23.5
87.04430	0.6
89.03917	5.7
91.05469	1.2
95.04958	0.4
97.02883	1.5
97.75731	0.3
99.04478	0.7
107.04971	2.3
109.02858	0.4
111.04432	1.6
117.02608	0.5
117.03376	6.4
119.04940	2.5
121.10068	0.3
123.62653	0.4
127.03893	1.3
129.05466	6.8
129.57307	0.4
135.03377	0.9
135.04410	14.9
138.58401	0.3
145.02846	10.4
145.03987	0.7
147.04410	8.5
147.06493	1.4
163.03896	100.0
164.04256	0.6
165.05533	0.4
172.44794	0.4
181.04955	0.9
186.05478	0.4
201.37541	0.4
245.08051	0.4
255.08582	0.5
307.08029	0.6
309.09705	1.1
321.12973	0.4
325.09177	2.9
471.15039	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.4
55.01865	0.5
55.05515	0.5
57.03426	1.6
69.03419	1.2
70.06852	0.9
70.07250	0.6
71.04993	8.2
75.04494	0.6
79.05470	0.8
81.03398	1.6
83.04977	1.4
85.02427	0.7
85.02905	10.9
85.56111	0.3
87.04461	0.3
89.03912	5.6
93.34811	0.4
95.04971	0.6
97.02888	1.0
99.04444	0.7
107.04948	1.7
109.02889	0.9
111.04446	1.2
117.03375	6.2
123.04443	0.7
125.72278	0.4
127.03885	1.1
129.05487	2.7
135.04417	17.5
144.05661	0.4
145.02843	9.3
147.04355	0.5
147.06471	0.6
163.03905	100.0
164.04271	1.0
167.69896	0.3
177.05412	0.5
181.04965	0.8
237.07613	0.3
240.87337	0.3
244.64983	0.3
264.51572	0.4
273.07544	0.4
291.08655	0.5
307.08051	0.7
309.09692	1.4
325.09195	1.4
390.45877	0.4
471.09055	4.2
471.15033	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.8
55.04721	0.4
57.03431	2.9
57.86355	0.6
69.03421	1.7
71.04991	20.9
71.38848	1.1
73.02882	0.5
75.04472	0.9
79.05486	0.7
81.03410	1.0
83.04969	2.1
85.02902	27.8
87.04452	1.1
89.03911	5.7
97.02884	1.8
99.04429	0.9
107.04940	2.0
109.02920	0.5
111.04432	1.6
117.03383	6.3
123.04418	1.1
127.03889	1.7
129.05470	6.4
135.04419	14.2
145.02852	10.5
147.04416	0.5
147.06505	1.9
160.61519	0.5
163.03899	100.0
164.04309	0.7
165.05466	0.6
181.04935	1.0
203.07181	0.5
231.06604	0.6
263.32401	0.4
272.49896	0.5
273.07724	0.8
307.08032	1.1
307.76678	0.5
309.09576	1.0
325.09317	3.2
325.76083	0.5
333.31934	0.5
471.14880	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.6
55.01870	0.7
55.05522	1.1
57.03438	6.0
61.02931	0.6
65.92945	0.3
67.05510	0.3
69.03416	2.0
71.01361	0.7
71.04992	42.2
71.61731	0.6
73.02917	0.6
75.04488	2.0
79.05492	0.9
81.03425	1.3
81.07050	0.6
83.04995	2.1
83.08614	0.5
85.02904	49.3
87.04457	1.5
89.03905	4.9
91.05500	1.3
93.07063	0.4
93.23928	0.4
95.04971	0.9
95.08599	0.6
97.02904	0.9
99.04472	1.1
100.11265	2.5
105.07034	0.5
107.04970	2.2
107.08604	0.4
109.02890	0.7
109.10153	0.4
110.99110	0.3
111.04447	2.0
111.20240	0.3
117.03383	4.9
119.04957	1.3
119.08615	0.3
121.06499	0.5
121.96556	0.3
123.04469	0.6
127.03874	1.6
129.05478	14.6
131.04939	0.3
135.04411	13.3
137.06024	0.6
140.06978	0.4
145.02840	9.6
145.03978	0.6
145.10046	0.3
145.18790	0.3
147.04414	5.6
147.06494	2.8
160.90236	0.3
163.03902	100.0
164.04251	1.4
165.05536	0.4
165.09100	0.6
167.07010	0.3
177.05389	0.3
181.04947	1.1
182.15422	0.4
191.07091	0.3
207.13820	0.4
210.14914	0.7
219.13736	0.5
228.15833	0.4
273.18524	0.6
291.08658	0.8
307.08136	0.4
309.09769	1.1
309.20535	2.7
325.09155	3.4
351.18466	0.4
461.91174	0.4
471.18213	1.0
471.25784	1.1
471.35373	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.7
55.05503	0.6
55.95081	0.5
57.03439	6.9
61.02910	0.5
66.02779	0.4
66.90144	0.4
69.03423	1.1
70.56213	0.5
71.01353	0.6
71.04991	51.9
71.05823	1.4
73.02920	0.8
74.83113	0.4
75.04475	1.9
77.85728	0.5
79.05514	0.5
81.03401	0.6
83.04971	2.8
85.02903	59.5
87.04457	1.2
89.03909	3.8
97.02908	0.9
99.04473	0.7
107.04946	0.9
111.04437	2.0
117.03392	5.0
120.82254	0.5
127.03912	1.2
129.05473	17.7
135.04420	9.5
135.48412	0.4
141.32869	0.5
145.02843	7.8
147.06505	4.5
163.03903	100.0
164.04205	2.0
181.04979	0.8
244.48338	0.4
298.70367	0.5
309.09595	1.0
325.09198	3.6
428.67719	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05482	0.7
57.03425	2.3
60.85670	0.5
69.03435	3.0
70.13380	3.0
71.01360	0.6
71.04993	20.1
75.04466	0.6
77.02221	0.5
79.05466	1.0
81.03419	1.1
83.04987	2.9
85.02904	28.3
87.04461	1.2
89.03917	5.2
91.05491	0.6
93.07056	0.6
95.04938	0.8
95.08606	0.7
97.02888	1.3
99.04435	0.8
107.04951	2.2
109.10175	0.5
111.04426	1.7
117.03382	5.7
118.68189	0.5
119.04929	0.8
119.08630	0.6
123.04417	1.0
127.03897	1.7
129.05487	7.7
134.15076	0.7
135.04417	15.3
137.05966	0.6
140.63469	0.5
145.02846	10.5
147.04407	2.3
147.06503	1.5
156.44296	0.5
163.03903	100.0
164.04205	1.0
165.05466	0.9
173.04343	0.7
181.05034	0.7
257.32849	0.6
274.47583	0.6
307.08182	1.0
309.09708	1.7
325.09100	2.9
471.14630	1.0
471.25595	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1493
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	0.9
57.03428	2.6
69.03432	1.1
71.01345	0.7
71.04991	15.1
71.11529	1.4
75.04458	1.2
79.05486	1.1
81.03421	0.7
83.04979	2.4
85.02901	23.3
89.03896	3.7
92.68781	0.4
95.04957	1.0
97.02897	3.8
99.04490	0.8
100.11280	2.7
101.44763	0.5
107.04947	1.8
109.02877	0.6
111.04441	1.9
117.03384	4.6
123.04418	1.9
127.03878	1.2
129.05476	6.2
135.04414	12.3
135.05412	0.9
145.02834	7.6
147.04492	0.6
147.06519	1.1
161.05992	0.6
163.03899	100.0
164.04224	1.7
165.05539	1.0
177.05542	0.6
181.04961	1.7
182.15375	0.5
183.91295	0.4
210.14920	0.7
265.07010	0.8
273.07617	1.4
291.08643	0.9
307.08014	0.7
309.09695	1.3
325.09125	5.0
412.57703	0.6
471.14233	1.7
471.35397	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	471.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86200	0.2
55.05490	0.4
56.32176	0.3
57.03431	2.0
59.42101	0.3
61.02906	0.3
63.02360	0.3
69.03434	1.4
71.01354	0.4
71.04990	9.9
75.04479	0.4
77.57917	0.3
79.05480	0.9
81.03405	1.5
83.04976	1.5
85.02901	13.4
87.04461	0.4
89.03909	5.8
91.05441	0.3
95.04967	0.6
97.02872	1.0
98.20706	0.6
99.04447	0.6
99.47092	0.3
107.04952	2.5
108.97137	0.3
109.02875	0.6
111.04432	1.3
116.86267	0.3
117.03374	5.8
118.00837	0.3
119.04939	0.4
123.04409	0.9
127.03896	1.3
129.05479	3.6
134.31268	0.3
135.04413	15.4
145.02831	9.9
145.04829	0.4
147.04419	0.6
147.06514	0.9
149.05997	0.5
161.10562	0.2
163.03896	100.0
164.04207	1.4
165.05461	0.5
169.04962	0.5
178.53891	0.3
181.04967	0.6
186.05513	0.4
223.05865	0.4
229.62137	0.4
237.07590	0.8
255.08540	0.3
273.07471	0.7
291.08728	0.4
309.09698	1.5
325.09198	2.2
446.63730	0.4
471.09006	1.6
471.14908	1.2
471.20898	0.3
478.62659	0.3
492.43298	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1264
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78829	0.5
56.96571	4.7
57.23789	0.5
69.03423	0.7
71.05006	1.3
71.59004	0.9
73.02919	1.8
83.04980	0.7
84.96031	1.5
85.02911	3.4
91.05485	0.9
97.02894	1.0
98.97585	5.6
107.04956	1.2
110.97578	1.4
116.98613	4.0
127.03867	0.9
128.98625	3.3
131.00211	1.0
134.99678	2.4
135.04425	1.0
138.05536	0.9
143.00188	0.9
145.02852	1.2
146.99644	3.7
147.04466	0.7
158.99681	1.7
160.07478	1.2
161.01180	2.7
163.03914	7.1
170.99663	1.2
177.00737	2.4
178.08614	1.0
189.00734	2.1
193.01701	0.8
195.03345	1.0
211.02797	1.7
213.04355	2.5
219.01796	6.1
237.02745	14.0
249.04524	0.6
255.03766	0.9
267.05261	0.7
317.08600	1.6
328.66986	0.6
339.07504	14.5
340.07895	0.6
340.14157	0.8
351.06268	0.8
357.08704	1.6
453.13681	15.8
471.14426	100.0
472.14404	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1264
Annotation	Lysidicichin
Peak:m/z	Relative Intensity
69.27977	0.6
70.08530	3.3
79.98312	0.6
84.31876	0.5
98.97575	2.3
110.97559	0.7
112.99158	1.5
116.98662	1.3
131.00183	2.4
149.01247	1.9
157.73325	0.5
160.52325	0.6
173.01201	1.2
177.00751	1.7
180.95291	0.6
191.02278	1.8
219.01805	1.1
237.02901	2.2
274.36319	0.6
279.03918	1.1
293.05453	0.6
295.08734	0.8
309.04813	0.9
321.10406	2.5
337.08148	2.7
355.09079	1.6
471.12579	100.0
472.12790	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	470.3266
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78353	1.7
63.01175	1.9
67.05502	4.7
69.38161	19.4
79.05487	6.3
81.07055	100.0
92.54882	2.2
93.07054	4.1
95.08599	14.8
107.08609	3.0
108.68300	1.9
109.10128	8.1
119.04926	5.4
135.11655	5.2
137.13254	78.5
147.04407	43.3
148.42772	2.1
153.12640	3.3
165.05453	25.8
166.00275	1.9
177.05429	2.6
195.98962	2.1
205.25670	2.3
276.75958	1.9
299.16406	10.2
317.17502	4.9
493.48932	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	470.3267
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02027	1.6
60.93114	1.5
67.05492	4.9
69.07064	1.9
79.05486	4.7
81.07057	100.0
82.07394	2.2
91.05473	2.2
93.07040	14.2
95.08607	11.5
105.07022	1.7
107.08580	9.3
109.10129	1.5
119.08540	1.5
135.11697	18.9
137.13257	77.5
138.13547	2.5
147.04428	6.7
165.05450	4.0
177.05470	4.4
220.40852	1.4
221.09900	1.3
225.09209	3.2
243.10136	1.7
279.60519	1.2
281.15384	7.3
299.16425	27.8
422.61673	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1024
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39251	1.6
56.96552	10.5
71.58762	1.5
71.59171	2.3
74.09644	1.8
81.03405	2.6
98.97578	73.2
101.00857	2.9
104.10711	2.2
109.02861	3.6
110.97556	8.2
114.89359	1.8
116.98617	73.1
119.01922	21.7
120.02000	2.1
121.01639	10.2
124.99076	10.0
128.98610	18.2
131.01884	2.7
133.03477	2.5
134.99651	41.0
137.02008	1.8
137.02956	9.5
139.02652	6.1
143.00157	41.1
143.01895	6.8
145.03514	7.8
146.99648	18.7
147.03101	8.6
151.04518	2.7
153.00691	5.5
153.43701	1.8
157.03447	12.6
158.99638	34.4
159.03265	6.3
160.02231	2.4
160.99960	3.1
161.01216	47.2
161.02946	17.2
163.02737	4.9
165.00682	4.0
165.04323	2.0
169.03511	2.5
170.03571	2.1
170.99637	14.1
171.03198	10.8
175.04482	17.3
177.00706	100.0
177.04160	3.3
178.03111	1.8
179.02277	5.1
179.03938	2.4
185.01215	19.8
185.02982	9.4
186.03163	1.8
187.02737	7.8
187.04529	7.2
188.04762	2.1
189.00699	41.6
189.04250	19.6
195.01709	11.4
199.04700	2.5
200.02278	4.7
201.06116	2.1
203.02274	12.8
203.04027	7.6
203.05597	1.8
205.03825	3.7
207.01779	21.9
207.05283	3.6
212.02312	1.9
213.00758	5.0
216.04123	1.9
217.03787	4.3
219.01744	21.6
227.03978	2.3
231.01671	11.0
231.05171	9.9
237.02829	23.0
245.05008	4.1
249.02792	40.0
249.06483	6.5
255.03897	7.8
263.05991	1.9
267.00977	3.4
267.03857	60.2
270.03625	1.9
273.02640	10.3
275.06100	6.2
276.06403	5.2
277.05975	53.7
277.08054	12.5
279.03897	86.5
279.07428	5.9
285.04996	24.4
290.05319	2.8
291.03830	87.2
293.06906	1.9
295.08957	76.5
297.04883	22.5
297.08624	11.2
303.03864	7.0
305.09000	2.7
309.04904	97.3
314.05490	3.6
318.10165	5.1
320.06479	5.1
321.04810	16.6
327.05963	45.3
331.02582	2.5
332.06488	6.1
333.05090	3.9
339.05997	15.9
344.06479	2.0
351.05954	56.2
351.10199	2.8
357.06879	4.7
363.05930	5.3
369.07315	2.1
381.07095	22.0
393.06683	2.6
411.07867	4.8
411.12262	4.2
428.92996	1.9
429.13107	9.5
432.50079	1.7
458.08401	2.0
471.11389	5.4
490.50311	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2949
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05489	1.5
69.07058	1.5
71.62003	1.0
79.05497	7.3
81.07056	3.4
82.56689	0.8
89.06049	1.8
91.05476	10.9
93.07042	18.9
95.04967	1.1
95.08641	0.7
98.75068	0.9
105.07024	3.2
107.08592	48.5
109.06477	1.5
109.10161	1.9
119.04940	19.2
133.08623	0.9
135.11691	58.8
136.12032	1.1
147.04410	100.0
148.04803	1.8
165.05505	5.2
175.40991	0.8
190.50125	0.8
299.16406	9.5
403.40167	1.0
451.28076	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.3266
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.0
55.05493	0.7
57.02635	0.4
57.07076	0.7
66.88894	0.4
67.05499	3.2
69.07075	0.9
71.08628	0.5
79.05489	5.7
81.07056	100.0
82.07388	0.6
82.70679	0.4
91.05476	3.0
93.07045	18.4
94.39648	0.4
95.04975	1.0
95.08047	0.8
95.08610	10.7
102.16455	0.4
105.07016	1.4
107.08593	15.0
109.10152	1.1
121.60002	0.4
123.11661	0.6
135.11694	9.5
137.13255	67.2
138.13612	0.5
147.04395	2.9
165.05487	1.0
173.06007	1.2
177.05470	4.4
191.07042	2.1
205.08546	0.6
207.08109	0.5
215.06935	3.0
217.08838	0.5
225.09128	1.5
243.10149	2.8
281.15298	4.3
299.16412	27.4
360.27066	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.295
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.8
53.80407	1.1
56.06928	1.2
57.07069	3.0
67.05490	5.5
69.07084	2.1
79.05472	4.1
81.07052	100.0
82.07398	1.5
84.09039	1.6
87.04449	7.5
88.12560	1.3
89.06004	2.1
91.05463	4.2
93.07030	8.9
95.08602	12.7
105.07039	2.4
107.08583	11.9
109.10172	10.8
116.16704	1.4
119.04949	6.8
123.11669	4.7
133.08606	2.3
133.10075	3.4
135.11685	13.2
137.13251	45.0
147.04411	42.4
147.50114	1.2
148.04753	1.6
151.11168	7.6
153.12701	4.3
165.05493	11.9
165.09113	1.5
215.66420	1.4
284.17783	1.6
297.14844	10.4
299.16245	3.9
315.15936	3.3
317.17188	1.4
349.89145	1.3
400.35913	1.5
425.24609	1.5
469.33374	1.6
483.84250	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1318
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10172	0.3
56.96564	2.7
57.03444	1.8
61.02932	0.7
61.24066	0.4
69.03430	1.0
70.93922	0.6
70.94231	0.5
73.02917	4.8
73.31642	0.4
78.62908	0.4
79.11631	0.4
84.96059	0.8
85.02916	1.4
85.10807	0.4
91.05473	0.7
97.02916	1.4
98.97571	3.7
110.97581	0.8
115.03955	0.7
116.98624	3.5
121.06640	0.4
127.03927	0.8
128.02415	0.6
128.98589	2.4
131.00201	0.8
134.99664	1.9
137.06029	0.5
140.98624	0.4
143.00201	0.7
146.99673	2.9
149.01239	0.9
157.70898	0.4
158.99663	0.8
161.01248	2.1
162.99176	0.6
163.03989	0.5
165.00684	0.5
170.99721	0.9
177.00766	1.6
178.03787	0.4
179.02274	0.5
189.00816	1.3
193.01651	0.5
195.01828	0.4
201.00862	0.5
207.18117	0.5
208.29366	0.4
211.02812	1.0
219.01750	3.3
235.02856	1.0
237.02806	9.3
237.05034	0.5
255.04031	0.7
260.04684	0.7
265.04019	0.8
317.08603	1.5
337.05872	7.6
338.06552	0.6
351.06290	0.8
355.07242	1.2
377.68304	0.5
384.61185	0.5
405.61237	0.5
459.63174	0.4
469.13123	100.0
469.68781	0.4
470.13470	1.9
487.12961	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.3109
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61226	0.4
53.03937	0.9
55.05491	0.4
55.18410	0.4
57.07065	1.1
63.41920	0.5
67.05502	3.3
68.61264	0.5
69.07063	1.1
71.60657	0.8
79.05499	5.4
79.23532	0.6
81.07055	100.0
82.07385	0.6
89.06046	1.0
91.05489	2.1
93.07044	7.4
95.04952	0.7
95.08602	13.6
109.10178	1.3
123.11744	0.9
131.04926	1.7
137.13252	55.1
147.04401	0.7
149.05981	0.6
159.04393	1.6
167.08565	0.9
173.05960	0.6
177.05472	17.0
178.07896	0.5
195.08002	3.0
197.05968	2.0
197.09691	0.7
201.05389	1.0
206.04248	0.5
206.07249	0.8
209.09752	0.5
211.07611	0.6
213.09233	0.6
215.73100	0.6
221.09538	2.6
223.07597	1.3
237.09142	1.9
239.10703	6.0
241.08562	2.5
257.11722	28.7
297.14896	8.9
315.15994	1.5
351.68878	0.6
360.36612	0.6
377.20901	1.3
433.27231	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1109
Annotation	Cadensin G
Peak:m/z	Relative Intensity
62.49356	0.8
70.44283	3.1
70.70951	0.8
75.61308	0.9
91.12797	0.8
174.96167	0.8
180.15863	0.7
204.66090	0.8
248.90623	0.9
275.06149	1.5
352.86258	0.9
469.11090	100.0
470.11194	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.3107
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.6
56.02430	1.7
57.88883	1.8
59.04988	5.5
67.05497	24.9
69.43703	19.0
79.05482	6.7
81.06578	4.2
81.07050	72.3
83.15170	1.8
91.05467	11.8
93.07031	12.4
94.07817	3.5
94.15871	1.7
95.04969	23.5
95.08596	8.2
105.07009	6.6
107.08582	12.2
109.06512	9.8
109.10149	92.5
123.08099	2.2
123.11671	11.4
123.47891	2.1
133.10139	16.8
137.13249	42.1
151.11177	100.0
204.48970	1.9
239.10667	6.6
257.11691	8.2
463.85617	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	468.3109
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97611	0.5
57.07061	1.0
63.82478	0.5
67.05498	4.0
69.07064	1.8
71.04996	0.6
71.35320	0.6
71.59948	0.7
75.51353	0.5
76.17184	0.5
79.05481	4.7
81.07055	100.0
82.07394	1.3
89.06029	1.0
93.07069	0.9
95.08605	13.1
106.60393	0.5
109.10161	2.2
114.54119	0.5
123.11742	0.7
132.18939	0.5
137.13252	54.5
138.13655	1.1
147.49814	0.5
157.06497	0.7
166.94543	0.5
173.05968	1.0
174.43590	0.5
177.05482	2.9
177.50562	0.6
181.06511	0.7
185.06015	0.7
191.06891	0.8
191.08580	0.5
195.08081	2.1
197.06026	1.7
209.09654	0.7
211.07556	1.1
212.91357	0.5
213.09215	0.6
219.08054	0.9
221.09631	0.5
223.07556	0.9
225.09073	0.6
233.13338	0.9
237.09111	5.3
237.12788	1.3
239.10661	0.6
246.10341	0.9
251.14404	1.3
257.11932	0.8
261.12827	2.1
264.11621	0.7
279.13809	14.9
283.17615	0.9
297.14850	31.6
298.15170	0.8
315.16107	0.8
385.83157	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.285
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03983	1.9
55.05506	17.8
57.07061	3.8
67.05499	65.5
69.03416	3.5
69.07059	25.3
70.40318	8.5
70.40654	2.3
71.05000	11.6
79.05491	20.4
81.07055	89.3
83.08611	22.2
84.67277	1.9
85.02898	5.3
85.06529	7.6
91.05476	16.3
93.07037	35.8
95.04930	2.3
95.08603	100.0
97.02897	2.5
97.06520	7.8
97.10178	15.2
99.08090	2.6
105.07011	11.4
107.08588	30.1
109.09467	3.3
109.10156	52.8
111.08055	2.6
111.11693	7.5
117.07017	3.3
119.08582	17.0
121.10143	36.8
123.08051	4.0
123.11717	24.5
131.08546	10.7
133.10114	25.0
135.08034	5.2
135.11681	33.2
137.09628	10.0
137.13249	8.4
139.07576	2.4
141.09088	2.7
145.10085	11.6
147.11649	5.9
149.09602	5.5
149.13278	14.7
151.11189	11.5
151.14793	3.2
153.09079	3.0
155.10448	1.9
159.11652	9.4
163.11154	3.6
167.10703	3.1
173.13240	6.9
177.12711	4.1
189.16386	3.2
191.17940	30.7
195.13680	2.1
207.21068	2.6
209.19016	24.6
215.17960	29.7
225.22115	9.8
227.20001	3.6
233.18953	25.8
251.20062	33.4
269.21133	58.3
287.22165	82.3
289.74503	2.6
298.96246	2.4
305.23251	7.8
435.07446	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	468.3108
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.6
55.58819	0.5
57.07066	0.7
61.41465	0.5
67.05498	2.9
69.07066	1.1
70.12119	2.8
71.08617	0.5
79.05491	3.5
80.59785	0.5
81.07054	100.0
89.06052	0.7
91.42554	0.5
93.07046	1.3
95.08604	12.9
105.07049	2.4
107.08601	1.1
109.10210	0.7
117.07005	0.9
118.32824	0.6
118.41609	0.5
118.44579	0.6
132.05426	0.5
133.10161	1.5
135.11697	1.2
137.13251	55.8
138.13652	0.9
139.14861	0.5
145.06543	1.2
167.08565	0.7
173.06036	2.5
177.05472	2.1
179.18521	0.6
181.06528	1.1
191.07008	5.1
194.07195	0.8
195.08086	2.9
197.05928	2.9
197.09639	0.7
201.05515	1.2
203.77254	0.5
209.09674	0.8
211.07463	3.0
215.07030	7.2
221.09596	1.4
223.07510	6.0
235.11250	1.0
237.09138	3.7
237.12764	1.7
241.08705	2.5
251.14392	1.4
255.10239	1.0
261.12735	4.8
264.11526	0.7
279.13794	15.1
297.14844	44.6
425.26929	0.6
433.27487	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	467.2805
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	2.5
55.01868	2.4
55.05507	4.2
57.07075	4.2
57.63899	1.6
65.03928	1.7
67.05516	9.3
67.76897	1.7
69.07066	2.7
69.59669	14.2
79.05492	17.1
81.07056	20.4
82.07391	2.2
85.06544	2.7
91.05471	15.0
93.07038	42.2
95.04956	3.5
95.08591	8.9
96.05231	1.7
96.92556	1.7
105.07046	6.6
107.08588	67.2
109.06530	2.8
109.10156	8.0
119.04932	1.9
119.08549	2.1
121.41330	1.7
131.04912	4.9
133.10127	4.1
135.11690	74.0
137.13260	4.0
145.06503	1.9
147.04414	6.8
152.06145	2.0
159.04466	7.0
165.07030	2.7
166.07736	2.0
167.08514	3.6
169.06538	2.3
170.74344	1.7
171.08086	2.8
173.06006	2.5
175.03931	2.6
177.05479	7.4
181.06464	3.3
181.10153	2.9
187.07486	2.7
189.06862	2.1
190.07791	2.0
191.08551	5.0
193.10191	3.0
194.07332	4.7
195.08063	41.2
197.06044	4.9
197.09537	1.9
199.07509	2.8
201.05438	2.2
206.07304	3.9
209.09576	13.2
211.07733	2.9
213.09138	5.0
219.07979	2.3
221.09615	9.9
223.07506	19.9
237.06729	2.3
237.09113	46.1
239.10677	18.7
241.08638	4.0
246.10440	3.4
257.11771	3.5
261.12802	5.1
279.13824	16.8
297.14841	100.0
431.26257	2.3
449.27112	8.9
467.37256	3.9
470.07465	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.277
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	4.7
57.03439	9.7
57.07077	26.5
67.05503	10.1
67.16048	0.8
69.07064	6.0
69.27493	5.2
69.27918	4.2
71.08630	20.4
79.05496	1.0
81.07061	12.2
83.08624	7.2
85.10181	11.2
89.06035	0.9
93.07056	2.0
95.08615	13.3
97.10170	4.0
98.98466	33.5
107.08591	2.4
109.10157	8.5
115.41742	0.9
116.99502	1.6
123.11714	1.1
135.11719	1.6
136.99985	2.6
137.13281	2.2
147.04388	1.3
155.01035	47.3
182.96367	0.9
204.35481	0.9
211.03711	1.6
221.22653	1.0
229.04753	1.7
239.10620	1.2
239.23611	4.8
286.43765	1.0
313.27365	100.0
315.15820	0.9
341.26459	0.8
348.04800	0.9
393.23904	2.9
440.23990	0.9
449.26605	15.9
467.37683	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.2795
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	2.1
65.03928	2.2
67.05513	7.3
67.15544	1.2
69.07059	2.6
69.46962	10.3
79.05478	6.9
81.07082	7.5
91.05482	16.8
93.07049	17.4
95.08559	1.9
104.49932	1.2
105.07038	16.7
107.08594	44.7
109.06495	1.9
109.10162	7.2
119.04940	23.5
133.10133	27.5
135.11693	62.1
137.13293	2.4
138.13574	2.0
144.22038	1.4
147.04411	100.0
148.04774	1.8
151.11165	2.6
156.74759	1.3
165.05496	3.5
187.11388	1.4
195.08008	1.8
204.32837	1.2
239.37357	1.5
297.14926	3.6
299.16409	10.6
438.57077	1.3
445.69745	1.3
467.37314	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.1252
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96560	0.6
59.75114	0.5
59.78283	0.5
71.57475	0.9
71.57848	0.6
72.34544	0.5
76.64482	0.5
81.75526	0.5
82.99854	1.2
93.03406	0.6
95.04955	1.7
101.00893	2.4
109.01479	0.9
111.04424	0.7
119.01917	14.9
121.02846	3.0
124.99076	1.1
127.02413	2.5
131.01871	0.7
134.37843	0.5
137.02954	6.2
137.03918	0.9
139.03922	1.0
143.00198	2.9
143.01820	0.8
145.03464	22.2
151.02493	0.8
153.03886	1.0
157.03427	2.2
159.04999	1.3
161.01198	3.1
161.02953	3.0
161.06548	0.7
163.04538	3.4
167.01901	0.7
169.03455	21.1
170.03775	0.5
171.05034	6.1
173.02962	1.4
175.04498	1.6
179.01984	0.9
179.03981	0.5
185.02927	7.7
187.04515	37.9
188.04710	0.8
189.00653	0.5
189.02420	1.5
189.06117	1.3
191.04085	0.7
195.05038	3.5
197.02989	6.0
197.06697	0.9
201.06256	0.7
203.04045	3.9
203.07726	0.6
205.05562	6.3
210.06085	1.6
211.04482	2.2
213.06052	3.6
215.03987	11.0
221.02939	1.9
221.06631	0.8
223.04500	4.7
229.03508	1.2
229.05576	12.5
231.03503	1.1
233.59526	0.5
237.06119	1.5
239.03889	1.6
241.05557	1.1
247.04417	0.8
247.06653	9.6
249.04269	1.0
253.05528	0.8
255.07193	1.1
257.05054	1.8
265.05542	0.9
273.08298	0.8
275.06107	100.0
276.06238	2.3
283.06717	2.7
293.07181	29.3
294.07486	1.1
295.04886	0.7
301.07681	13.7
303.05463	4.5
316.08804	4.3
317.00198	0.7
319.08649	0.7
321.06555	1.9
329.07104	5.0
347.08392	3.1
371.04318	2.5
371.54395	1.7
372.04184	0.8
380.04977	1.2
380.54236	0.6
385.71500	0.6
389.04370	1.3
389.09286	19.0
406.69992	0.6
407.10339	24.3
408.10730	1.1
425.11380	21.0
425.53699	0.9
426.07523	1.6
430.11603	1.3
434.03287	0.7
448.13147	1.9
484.99979	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.0
55.05518	1.1
57.03432	3.3
57.07066	1.9
59.04993	0.8
60.04512	0.5
65.03918	0.6
67.05505	3.8
69.03427	13.4
69.07063	3.2
70.85542	1.4
71.04978	0.7
71.61309	0.4
73.02911	1.1
79.05485	5.8
81.03415	1.1
81.07053	100.0
82.07378	0.7
83.05020	0.6
85.02905	11.2
85.03432	0.6
86.32738	0.4
87.04461	10.1
91.05482	1.1
93.07063	1.3
95.04993	1.0
95.08604	14.8
96.09000	0.5
97.02885	13.6
99.04485	0.6
100.11237	0.6
100.24908	0.5
107.04955	0.7
107.08616	0.7
109.02894	0.8
109.10156	1.8
111.04471	0.5
115.03922	20.2
121.06542	0.8
123.04432	0.5
127.03928	2.1
133.04956	26.8
135.11708	0.7
137.13251	25.2
138.13658	0.5
141.51955	0.5
143.32481	0.4
145.04971	3.3
147.04370	0.7
149.06056	0.7
150.07651	2.1
154.15921	1.0
155.14302	0.5
163.06003	0.7
168.13826	0.6
178.75697	0.5
182.15485	0.5
208.99403	0.5
209.08014	0.6
231.05617	0.4
241.07068	0.6
259.08105	2.2
277.09326	0.9
295.10181	2.9
301.35986	0.5
304.05280	0.8
422.56641	0.5
423.30496	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.3163
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.4
57.07072	6.1
58.06592	1.8
65.03926	1.5
67.05491	0.6
69.07055	0.6
69.53149	2.9
70.06590	14.9
71.08630	2.6
79.05460	0.4
81.07033	1.1
85.10164	0.8
85.84212	0.3
88.07628	18.1
93.07069	0.4
95.04964	0.4
95.08620	0.4
98.20760	0.5
102.09177	13.5
107.08617	0.8
109.10120	0.5
120.08073	0.3
121.02856	1.1
132.10170	0.3
139.03879	1.1
141.25166	0.3
146.11780	0.4
147.04404	0.6
149.02342	46.9
149.03406	2.5
150.02747	0.5
151.51736	0.3
163.03868	0.3
165.78793	0.3
192.19749	0.4
193.04956	54.2
194.05290	1.0
196.57736	0.3
212.23695	0.6
221.04665	0.3
237.07565	59.5
238.07831	0.7
256.26343	44.0
257.26584	0.6
272.84216	0.4
300.29034	1.6
393.50433	0.3
450.02786	0.3
466.31625	100.0
467.31909	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	465.2613
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09802	0.7
55.01878	8.6
55.05267	1.2
55.05513	19.6
57.03435	7.7
57.07076	8.7
67.05501	7.0
69.07069	24.6
71.06464	1.2
71.06779	1.2
71.08632	5.9
73.02915	6.9
76.50837	0.7
79.05502	4.9
81.07063	13.0
83.04990	1.0
83.08618	20.9
85.10188	2.7
91.05463	1.2
93.07053	5.6
95.08611	6.7
95.69149	0.7
97.06534	3.4
97.10173	12.6
98.98466	49.2
107.08599	4.1
109.10146	3.1
111.08100	0.9
111.11714	3.1
116.99509	1.0
121.10124	6.6
121.67036	0.8
123.11723	2.4
129.05453	3.2
135.11711	5.4
136.99995	3.0
137.13260	2.1
147.04399	0.7
149.13277	1.3
155.01039	49.7
157.17899	0.7
161.97803	0.7
163.14835	0.8
170.98766	0.7
173.20996	0.7
211.03630	1.6
213.09088	1.0
219.21143	2.2
229.04582	3.8
237.22150	10.1
279.50909	1.2
297.14740	0.9
311.25800	100.0
312.26086	2.7
391.22510	1.1
447.19107	1.4
447.25055	19.6
452.74139	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2271
Annotation	Dulciol A
Peak:m/z	Relative Intensity
64.01322	1.5
67.05496	6.9
69.07066	1.7
71.60039	2.1
79.05480	8.6
81.07056	100.0
85.02904	1.9
86.93900	1.3
91.05490	7.1
93.07038	4.2
95.04935	3.0
95.08612	13.0
98.52505	1.6
105.07005	2.6
107.04953	17.7
107.08582	6.0
109.10152	1.7
119.04939	15.5
121.02881	2.2
121.06506	12.3
123.04424	2.8
123.11743	2.0
133.10091	3.6
135.04419	14.2
135.11710	3.8
136.11989	1.5
137.13245	35.0
138.38757	1.4
145.06422	4.7
147.04404	68.8
163.03918	2.5
181.04953	12.2
191.03386	3.3
237.09085	5.8
239.56061	1.4
243.04303	1.7
254.09389	2.9
257.04419	1.5
265.08679	1.8
303.05008	11.9
311.09244	2.8
329.10184	34.0
420.30676	1.5
422.67178	1.5
465.27576	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2274
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78211	0.4
53.03946	0.8
55.05497	0.6
57.07072	0.8
57.07348	0.4
62.31607	0.4
65.03922	0.7
67.05502	4.7
69.07067	1.1
71.05558	0.4
71.05876	0.6
71.08626	0.5
79.05492	5.8
81.07052	100.0
81.77892	0.4
83.13220	0.4
91.05470	2.2
93.07046	1.2
95.04975	1.3
95.08601	13.2
103.05472	1.6
105.07088	0.6
107.04971	1.3
107.08579	1.3
108.08940	0.6
109.10149	0.7
111.04460	0.8
115.05451	0.9
117.07009	8.8
118.00372	0.5
119.04936	3.2
121.02861	6.9
121.06505	0.8
123.04414	1.4
131.04887	0.5
133.06473	1.6
135.11673	1.3
136.12006	0.8
137.13249	38.2
145.06471	8.3
147.04395	14.4
155.06119	0.6
161.05891	1.0
165.05479	6.0
171.04401	4.4
173.05972	1.0
175.03879	0.9
189.05472	2.6
191.07104	0.5
195.07980	0.6
197.05864	0.5
199.03903	1.6
213.09100	0.7
214.09358	0.4
215.82436	0.4
217.04948	8.8
219.08083	1.4
223.07515	0.7
235.05997	51.0
236.06512	0.4
237.09105	1.5
247.07516	4.3
251.07008	0.9
256.60703	0.4
265.08606	3.4
293.07993	0.6
311.09116	24.6
329.10211	4.5
371.18494	0.4
426.76108	0.4
444.23456	0.4
447.21408	1.2
466.72949	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	0.7
55.05518	0.4
57.07075	0.9
65.03947	0.4
67.05503	3.8
69.07072	0.8
69.68399	0.3
69.68804	1.3
79.05499	5.4
81.07059	100.0
82.07374	0.2
89.06042	0.2
91.05489	1.1
93.07051	0.5
95.04980	0.2
95.08612	10.7
107.08616	0.4
109.10142	0.8
118.59100	0.2
119.04951	2.0
135.11703	0.3
137.13257	47.7
138.13597	0.3
147.04416	15.0
165.05510	0.8
217.04984	0.3
234.25275	0.2
235.06013	0.9
292.36539	0.2
311.09189	0.4
311.12741	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2272
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.4
53.16117	0.2
55.05499	0.5
57.07069	1.1
65.03930	0.4
67.05161	0.4
67.05499	3.9
69.07070	0.9
70.74247	0.2
70.74603	0.5
71.01340	0.2
71.08630	0.4
74.77043	0.2
79.05492	5.3
81.07055	100.0
82.07377	0.4
83.08656	0.3
89.71416	0.2
91.05479	9.9
93.07037	0.3
95.04961	1.0
95.08604	11.2
99.00809	4.1
107.04951	2.9
107.05613	0.2
109.10162	0.5
117.01852	3.1
119.04942	23.6
120.05714	0.8
120.97780	0.2
121.02851	0.2
123.04534	0.2
137.13252	44.2
138.13545	0.4
145.06476	0.2
167.08545	1.2
177.07022	0.6
195.08020	1.5
211.36621	0.2
212.08275	0.4
213.09097	50.5
214.09448	0.8
237.09079	0.7
247.07674	0.3
265.08423	0.3
293.08185	0.4
311.09106	0.9
329.10129	0.3
370.15024	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04330	1.4
53.03941	2.0
55.01866	2.7
56.96576	2.1
57.03150	1.8
57.03436	37.6
61.02925	9.8
67.69398	1.2
69.03426	26.9
70.06584	1.4
70.96561	1.5
70.96907	2.9
71.01348	3.3
71.04990	26.9
72.05320	4.2
73.02916	76.5
74.42873	1.2
75.04477	3.2
81.03433	3.5
83.04972	3.5
85.02902	71.8
86.03239	5.5
87.04478	3.7
95.04947	2.8
97.02892	36.8
98.97581	1.3
99.04448	2.5
100.09918	1.2
103.03999	1.8
107.04951	100.0
108.05280	1.5
109.02871	3.3
111.04427	3.4
115.03928	37.1
116.98607	1.7
121.06493	4.2
122.06832	2.3
123.04437	2.2
127.03912	15.2
128.98590	1.5
129.05478	10.6
130.05809	3.9
132.06552	3.1
133.04962	10.9
137.02393	1.7
137.05977	2.6
138.05487	1.1
139.03880	3.1
144.06645	1.5
145.04958	13.2
145.06107	1.6
145.06461	1.6
147.06526	6.2
148.06877	2.4
150.07649	12.8
151.03944	2.4
153.05556	1.3
163.06035	3.7
180.08710	2.4
187.07570	1.3
187.41451	1.3
205.08711	1.3
223.05949	2.8
224.52632	1.1
226.05418	1.2
237.02814	3.6
241.07069	5.0
259.08066	2.1
295.10263	2.7
303.05035	18.2
303.08450	2.5
303.13474	1.4
326.08527	1.4
333.12933	3.3
345.06476	3.2
392.10312	3.9
465.13104	2.2
465.19205	2.3
489.10474	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	465.2272
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52419	1.1
53.28100	1.1
57.07071	2.0
63.28737	1.2
63.36819	1.1
65.03948	1.3
67.01793	1.3
67.05489	5.7
69.07056	2.6
70.93731	3.6
79.05495	8.2
81.07053	100.0
82.07372	1.2
91.05488	7.1
93.07041	4.1
95.04971	2.4
95.08604	14.3
98.98443	1.6
99.02664	1.4
99.35799	1.3
105.06987	2.9
107.04951	18.2
107.08592	6.5
119.04945	15.1
121.02826	1.7
121.06491	12.3
123.04397	1.6
133.10132	1.8
135.04381	13.4
135.11670	4.7
136.12018	1.9
137.13254	31.9
145.06427	3.3
147.04407	70.5
148.04718	2.7
163.03920	2.2
181.04948	13.2
191.03455	3.1
217.05017	1.4
219.07909	1.7
237.09082	5.3
254.09454	2.9
283.09824	2.0
283.65729	1.5
303.05017	11.4
311.09116	2.7
329.10190	32.0
435.39319	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.3
55.01872	1.4
55.05518	1.2
57.03436	33.4
59.06125	1.1
61.02925	10.5
69.03421	22.9
70.06589	1.5
71.01340	3.2
71.04990	19.5
71.61993	1.7
72.05328	2.9
73.02914	74.2
75.04475	1.3
79.05475	1.1
81.03391	2.2
83.04957	1.4
85.02900	55.6
85.07687	1.5
86.03233	4.8
87.04443	2.7
90.98373	0.9
95.04938	1.6
96.04460	1.2
96.68656	1.0
97.02886	35.4
99.04453	1.9
101.07124	5.2
103.03959	1.6
107.04949	100.0
108.05280	1.3
109.02921	1.8
111.00785	1.2
111.04459	1.8
113.66182	1.0
115.03919	39.7
121.06509	4.2
122.06850	2.1
123.04411	1.4
127.03896	13.5
129.05460	8.5
130.05815	3.4
132.06566	4.0
133.04961	12.3
136.03934	2.1
137.02364	1.7
145.04945	14.3
147.06485	4.6
148.06851	2.5
149.72574	1.0
150.07600	14.5
153.01823	2.1
163.03915	1.4
163.06033	5.8
164.09198	2.3
180.08675	2.1
181.04852	1.2
193.04924	1.9
203.12802	1.3
223.06046	3.5
229.04918	4.5
241.07182	5.2
257.04544	1.6
259.08145	3.5
285.03839	1.6
295.10300	4.5
303.04980	64.1
304.05359	3.0
317.08862	1.4
333.12854	3.6
465.17099	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	465.1028
Annotation	quercetin-3-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
53.03942	0.5
55.01866	0.3
57.03437	1.0
61.02927	2.1
67.01859	0.3
68.99787	0.8
69.03428	3.4
70.22688	1.0
71.04987	0.5
73.02905	0.7
81.03429	1.6
81.45753	0.2
82.09402	0.2
83.01339	0.4
85.02901	9.6
87.04427	0.2
91.03951	0.8
93.03379	0.3
95.04987	0.4
97.02891	3.6
98.20885	0.3
99.04410	0.6
103.90908	0.2
105.06966	0.3
109.02872	1.2
111.00809	1.0
121.02837	0.9
123.04442	0.4
127.03924	2.4
135.04387	0.2
137.02335	3.5
145.04958	1.8
145.06096	0.2
145.06464	0.2
147.21405	0.2
149.02287	0.3
153.01825	4.4
155.04831	0.2
159.04428	0.3
161.05942	0.5
163.03918	0.7
165.01831	2.0
166.02585	0.4
173.06009	0.5
179.03311	0.2
183.02878	1.2
183.04312	0.4
195.02835	0.3
197.49611	0.2
201.05469	1.8
219.06549	0.4
229.04958	4.5
247.06049	0.6
257.04449	3.1
274.04758	0.9
285.03860	1.3
303.04984	100.0
304.05347	2.3
315.04916	0.4
345.06055	0.3
465.11005	0.2
465.23077	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1367
Annotation	Unknow
Peak:m/z	Relative Intensity
70.26786	0.4
71.19066	0.6
85.02895	0.9
167.03094	0.3
171.38522	0.3
185.04222	1.0
194.97153	0.3
195.04524	0.3
201.05208	0.8
201.81831	0.3
216.07565	7.2
217.08334	9.2
217.10350	0.5
227.05237	1.0
271.04254	4.2
303.04865	0.7
379.13571	2.7
390.36334	0.3
391.63663	0.4
403.13513	0.6
421.14679	24.0
422.15121	0.6
465.13669	100.0
466.13876	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	465.1027
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03352	0.2
51.33833	0.3
53.03936	0.3
57.03438	0.5
61.02922	6.6
66.37450	0.3
68.99782	0.5
69.03439	1.2
69.56118	0.4
69.56524	1.4
73.02558	0.2
73.02905	1.6
81.03407	0.8
83.66892	0.2
85.02898	5.8
91.03946	3.9
91.51859	0.2
93.03383	0.4
95.04973	0.3
97.02891	3.2
97.53013	0.2
98.21455	0.5
99.04396	0.3
109.02852	0.6
111.00797	1.0
121.02847	1.0
127.03921	1.2
136.85101	0.2
137.02330	3.3
141.77704	0.2
145.04924	0.6
149.02348	0.6
153.01823	4.3
155.04956	0.3
161.05916	0.6
163.03908	0.7
165.01837	2.4
166.02606	0.4
173.05945	0.6
183.02911	0.7
183.04417	0.3
187.03922	0.4
201.05426	2.0
205.04985	0.3
229.04942	4.8
247.05994	1.0
257.04471	2.6
258.04788	0.2
274.04764	0.7
285.03949	1.4
303.04974	100.0
304.05298	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1028
Annotation	Quercetin-3-O-beta-D-galactoside
Peak:m/z	Relative Intensity
53.03932	0.4
55.01861	0.3
57.03434	0.8
59.04974	0.2
61.02679	0.1
61.02927	1.3
62.84314	0.1
64.05174	0.1
65.03932	0.2
65.09609	0.1
67.05495	0.2
68.99802	0.7
69.03423	4.1
70.42650	0.1
71.01332	0.3
71.04978	0.4
71.18714	0.2
71.19085	0.2
73.02912	2.7
81.03411	2.0
81.07018	0.2
82.70543	0.1
85.02901	12.0
86.03233	0.1
87.04449	1.2
88.79933	0.1
91.03960	0.6
91.05474	0.4
93.03386	0.5
93.07063	0.3
95.04959	0.3
95.08611	0.2
97.02888	3.2
99.04459	0.8
101.02352	0.3
103.03944	0.4
105.07015	0.3
107.04949	0.3
109.02879	1.8
109.10176	0.2
111.00792	0.9
111.04470	0.1
115.03922	0.2
119.04893	0.2
121.02866	1.1
121.06464	0.2
123.04428	0.4
127.03912	3.2
135.04390	0.2
136.03957	0.2
137.02325	3.6
137.03394	0.2
137.05986	0.1
145.04955	1.9
145.06448	0.2
147.04393	0.5
148.04810	0.1
149.02325	0.5
153.01820	4.6
154.04984	0.2
155.04872	0.3
161.05994	0.3
163.03947	0.9
165.01839	2.1
165.04137	0.1
166.02690	0.2
169.94801	0.2
173.06007	0.5
174.87941	0.2
177.05467	0.3
180.24588	0.1
183.02863	0.9
183.04344	0.3
187.03908	0.4
191.03386	0.2
195.02925	0.1
201.05461	1.8
205.04987	0.2
207.02876	0.1
213.05499	0.1
217.04836	0.2
219.02858	0.1
219.06441	0.2
228.04233	0.2
229.04944	5.1
239.03458	0.2
245.04442	0.2
246.05313	0.1
247.05911	0.7
257.04434	3.6
258.05157	0.2
273.03952	0.3
274.04736	0.9
275.05389	0.3
285.03976	1.7
286.04553	0.2
287.05341	0.3
301.03458	0.2
302.04208	0.9
303.04974	100.0
304.05322	2.3
313.03433	0.2
327.04800	0.4
345.06049	1.2
357.05942	0.2
447.09177	0.3
465.10165	2.7
465.15976	0.3
466.10675	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1026
Annotation	quercetin-3-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
53.03949	0.7
55.01851	0.6
57.03408	0.6
60.75101	0.3
61.02913	1.3
68.99782	0.5
69.03425	2.9
70.63686	1.1
71.04971	0.7
73.02909	0.4
81.03396	2.0
85.02900	8.7
91.03931	0.4
93.03417	0.3
97.02379	0.3
97.02902	2.9
99.04436	0.4
109.02860	1.0
111.00778	0.7
121.02837	0.8
127.03903	1.7
137.02344	2.5
145.04959	2.0
145.06447	0.4
153.01836	2.6
154.60538	0.3
161.05959	0.3
163.03868	0.4
165.01834	2.0
166.10878	0.3
173.06058	0.5
183.02859	0.7
185.39549	0.3
187.03845	0.3
201.05511	2.0
219.06508	0.4
229.04964	3.5
247.06029	0.6
257.04495	1.8
259.14822	0.3
274.04654	0.6
285.03940	0.8
303.04974	100.0
304.05310	3.5
306.28244	0.3
356.82648	0.4
379.09250	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1025
Annotation	Quercetin-3-O-beta-D-galactoside
Peak:m/z	Relative Intensity
50.05462	0.1
53.03918	0.4
55.01855	0.4
57.03416	0.5
61.02917	1.4
65.03948	0.2
65.91975	0.2
67.01868	0.2
68.99785	0.6
69.03082	0.2
69.03427	2.9
69.50185	1.3
71.04975	0.3
73.02907	0.5
81.03416	1.8
84.33836	0.1
85.02899	9.1
87.04468	0.3
90.40216	0.1
91.03944	0.6
92.90384	0.1
93.03360	0.3
95.04977	0.3
97.02885	3.0
99.04434	0.6
109.02883	1.6
111.00800	1.1
121.02866	1.0
123.04405	0.4
127.03905	2.0
133.98447	0.1
135.04430	0.2
137.01335	0.3
137.02335	3.3
137.03394	0.2
141.35388	0.1
145.04953	1.7
149.02322	0.6
153.01820	3.7
155.04861	0.2
161.06006	0.3
163.03862	0.4
164.97466	0.2
165.01823	1.8
166.02654	0.2
173.05968	0.4
176.64731	0.1
183.02847	0.7
183.04355	0.3
187.03922	0.2
195.02898	0.2
201.05450	1.7
205.04903	0.2
215.03281	0.2
219.06546	0.2
219.28932	0.1
228.04156	0.2
229.04962	4.0
247.06010	0.7
257.04453	2.6
274.04745	0.9
285.03894	1.2
303.04971	100.0
304.05267	2.6
315.05014	0.2
345.06119	0.3
345.55594	0.2
369.05984	0.3
409.31543	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1028
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.5
53.62948	0.3
55.01862	0.6
57.03416	1.1
60.42309	0.4
61.02913	1.5
68.99791	0.8
69.03428	3.6
69.89238	1.8
71.04985	0.4
73.02908	0.4
78.96928	0.4
81.03412	2.6
85.02906	11.4
91.03958	0.7
93.27033	0.4
95.05005	0.4
97.02901	3.8
99.04383	0.4
104.97064	0.4
109.02901	2.0
111.00774	1.1
121.02853	0.9
127.03896	2.1
131.04948	0.4
137.02341	3.6
137.03310	0.6
145.04968	1.9
145.06345	0.4
149.02353	0.5
153.01817	4.5
163.03891	0.8
165.01828	2.3
166.02646	0.4
173.05960	0.5
183.02876	1.0
201.05411	1.8
229.04977	4.4
247.05966	1.0
257.04382	3.2
274.04688	0.9
285.03830	1.7
303.04984	100.0
304.05368	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	464.2428
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.6
55.05511	1.0
57.07063	1.1
64.51723	0.3
65.03942	0.4
67.05499	3.4
69.03417	0.4
69.07070	1.3
79.05496	4.6
81.07053	100.0
82.07387	2.2
85.02861	0.4
91.05476	3.6
92.05808	0.5
93.07059	1.9
94.07395	0.5
94.49899	0.4
95.04994	0.5
95.08604	11.5
96.08961	0.4
98.98458	0.6
105.07074	0.3
107.04974	0.4
107.08589	2.8
108.08932	1.1
109.10163	1.4
112.17964	0.3
119.04929	8.8
120.05265	1.2
135.11723	2.9
136.12016	1.3
137.13249	56.8
138.13579	1.8
147.04402	33.2
148.04745	0.9
153.12679	0.4
155.00993	0.6
183.63608	0.3
196.08398	0.3
213.09090	2.5
214.09441	2.6
220.08443	0.5
237.09079	0.4
253.08946	0.4
292.06848	0.9
293.08121	1.9
303.04825	0.6
309.07458	1.0
310.07953	0.6
311.09116	10.4
311.25757	1.2
312.09500	0.5
395.10272	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	2.6
54.27842	2.5
57.03433	5.6
58.06600	2.4
61.02947	2.2
62.01367	2.1
69.03441	6.5
71.04988	2.4
71.58891	4.3
73.02929	2.7
75.04480	7.3
79.05495	5.2
81.03410	3.3
85.02911	19.2
91.05478	16.6
93.07067	3.3
97.02859	6.2
98.56634	2.3
103.05454	3.5
105.03403	5.7
105.07037	26.3
106.02947	4.4
107.04948	13.1
109.02871	2.6
109.06544	4.8
115.05491	4.3
119.04957	24.8
121.06468	13.6
123.08047	2.5
124.03979	4.2
127.03873	4.4
129.05370	3.0
133.06482	24.6
134.03630	3.9
135.04417	5.5
136.05235	3.7
137.05992	4.8
140.04688	6.8
146.03665	3.3
147.04370	4.9
149.05992	16.4
151.07521	16.1
153.05463	62.1
159.07932	2.2
161.05981	42.4
163.03912	6.4
164.04318	4.7
165.05482	2.7
165.30199	2.7
167.07031	18.5
168.07817	87.0
177.05550	2.9
178.06224	13.1
179.06998	7.5
181.08591	5.6
191.07007	2.8
193.08598	84.0
196.07304	74.9
204.33472	2.9
209.08125	13.0
211.09662	100.0
259.10779	2.4
267.12332	10.0
268.07993	2.9
285.13345	81.9
303.04996	15.9
303.11932	6.3
315.13507	4.4
316.14120	2.8
429.16476	3.0
447.17886	6.0
465.17508	16.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.5
55.01872	3.5
57.03433	47.1
59.05006	1.4
61.02922	17.9
69.03425	45.5
70.55740	3.3
71.01337	4.2
71.04984	4.2
73.02911	100.0
81.03423	7.2
84.39874	0.9
85.02899	92.4
86.03258	1.0
87.04475	5.0
88.03978	1.0
91.03946	3.7
91.05441	1.5
95.04943	1.0
97.02884	69.1
98.20856	1.0
99.04453	3.8
103.03967	1.9
107.04948	27.9
109.02874	5.0
113.02359	1.1
115.03921	65.5
116.68475	0.8
119.04942	2.1
121.06519	3.2
123.04410	2.4
127.03904	30.3
129.05472	1.4
131.04927	6.0
132.06543	2.3
133.04962	21.9
135.04388	2.9
137.01582	0.8
137.05077	0.9
137.05951	4.4
145.04947	39.5
147.06616	1.4
149.05984	2.4
150.07599	7.1
153.05475	12.6
161.05968	1.7
163.06007	17.9
165.05542	0.9
166.07071	1.5
173.05991	5.2
177.05420	4.9
180.08696	2.4
185.05893	1.0
187.07433	1.0
189.05450	2.8
193.04916	2.7
196.08405	0.9
199.06093	1.2
203.07028	2.8
211.05989	1.0
215.07051	2.0
219.06522	13.5
223.05975	6.9
231.06743	1.0
233.08051	1.8
235.05447	0.9
241.07031	11.9
249.07498	4.0
259.08136	7.8
261.07581	3.8
267.08627	1.4
279.08624	5.2
281.10172	1.5
295.10184	13.5
297.09433	0.9
315.10727	2.5
332.13321	3.8
464.17667	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3781
Annotation	Sarcophyton polyhydroxysterol
Peak:m/z	Relative Intensity
53.86718	2.3
55.05510	17.4
57.07084	23.4
59.37088	1.8
67.05493	5.9
69.07064	32.9
70.75941	3.0
70.76305	5.1
71.08631	15.1
71.60690	2.0
79.05488	3.7
79.96005	1.7
81.07055	15.8
83.04987	4.4
83.08616	22.4
85.10175	7.0
91.05463	6.0
93.07040	10.1
95.04975	4.3
95.08585	11.2
97.10156	10.5
105.07028	6.9
107.08606	9.2
109.06506	7.6
109.10164	6.3
111.08082	4.0
111.11729	9.2
119.08598	3.1
121.06528	3.9
121.10143	6.7
123.08067	4.7
123.11681	3.7
125.05972	7.1
125.13264	3.7
131.08562	5.2
133.06415	2.1
135.08055	4.6
135.11639	2.4
137.05975	22.9
137.09610	2.7
139.07541	31.6
145.10039	2.2
147.11671	2.2
149.05923	3.0
149.09630	5.4
151.07571	11.9
155.07022	2.9
159.08092	2.3
159.11812	2.3
161.09624	4.6
163.07635	2.3
165.05457	11.7
165.09120	7.6
167.07030	12.5
171.11734	3.5
175.11168	3.7
177.09108	100.0
179.07022	15.0
181.08583	6.5
189.12720	3.9
193.08606	7.4
193.12292	2.5
197.07993	2.1
203.10666	4.7
203.14223	2.6
207.13841	3.0
219.13789	2.4
221.15265	2.2
263.20154	2.1
289.29068	2.5
291.19583	2.3
305.21210	3.2
307.29803	2.6
319.22574	2.9
333.24243	2.8
347.25687	2.9
366.06000	2.3
385.34409	4.5
389.30292	2.6
399.36295	19.5
403.35684	16.6
409.34598	3.3
417.37216	18.4
427.35764	22.3
435.38168	2.6
445.30536	4.1
445.36777	71.7
463.38000	18.2
467.56143	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3781
Annotation	Sarcophyton polyhydroxysterol
Peak:m/z	Relative Intensity
53.03934	1.8
55.01879	2.3
55.05508	20.6
57.06817	1.8
57.07075	22.4
59.77723	1.3
63.32307	1.3
67.05501	9.5
69.03406	1.4
69.07066	34.4
70.78796	2.7
70.79170	2.4
71.08633	16.6
79.05480	8.5
81.07053	24.0
83.04977	2.7
83.08617	21.6
85.10170	8.6
86.36989	1.2
91.05478	8.0
93.07035	15.0
95.04958	4.9
95.08612	13.9
97.10178	12.6
98.16862	1.5
105.07011	5.8
107.08582	14.7
109.06490	8.6
109.10181	6.1
111.08046	4.6
111.11724	7.6
113.09731	1.3
115.05440	1.4
119.08574	5.9
121.06528	3.8
121.10134	5.8
123.08067	4.2
123.11708	3.6
125.05965	7.2
125.13265	1.8
127.03942	1.4
131.08569	5.9
133.06485	1.7
133.10115	5.3
135.08041	6.0
135.11694	8.1
137.05974	23.4
137.06989	1.0
137.09572	1.7
137.13242	3.1
139.06509	2.2
139.07547	39.8
139.08620	2.4
142.07704	1.6
145.10112	1.5
147.04353	1.8
147.08047	3.5
147.11667	1.2
149.05945	6.6
149.09593	7.8
149.13345	3.3
151.07523	12.8
155.07018	1.8
156.60123	1.3
157.10115	3.1
159.08073	1.3
159.11665	2.1
161.09615	3.1
161.13246	2.4
163.07550	2.7
163.11116	3.4
165.05492	14.4
165.09093	6.5
167.07048	11.4
171.11711	2.4
175.07642	1.8
175.11162	4.8
177.09108	100.0
178.09535	1.6
179.07022	12.3
179.10626	3.4
181.08574	5.5
185.13239	1.4
189.09088	2.9
189.12759	4.7
191.10699	1.6
193.08577	10.5
193.12273	2.2
197.08154	2.3
203.10660	3.5
203.14250	2.1
207.13791	2.0
217.12300	3.1
221.11821	1.9
221.15366	2.5
245.15205	1.4
249.18536	2.4
263.19986	2.5
277.21689	2.5
278.94934	1.4
281.08060	2.2
289.28778	2.1
291.19910	1.7
291.23245	2.4
305.21198	1.8
307.05652	1.3
307.29819	1.7
319.22623	2.2
347.29562	2.2
361.27304	2.0
385.34604	2.4
389.30475	1.5
399.36261	11.3
403.35718	18.2
417.37399	13.0
427.35733	13.2
445.36771	51.3
463.37915	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	463.3781
Annotation	Sarcophyton polyhydroxysterol
Peak:m/z	Relative Intensity
50.89413	1.0
55.05510	11.5
56.43730	1.0
57.07074	30.5
67.05505	6.9
68.05022	1.0
69.07065	21.5
69.90021	1.0
71.08631	23.8
71.60097	1.1
71.60490	1.3
79.05481	3.2
81.06634	1.6
81.07059	15.9
83.08619	14.2
85.10184	14.4
85.81103	1.1
91.05460	2.6
93.07057	6.9
93.85883	1.1
95.04974	1.7
95.08604	15.3
97.06522	3.9
97.10175	9.0
99.04453	4.3
105.07042	4.4
107.04958	1.8
107.08570	4.4
109.06506	12.0
109.10159	8.2
111.08062	2.2
111.11723	4.9
119.08585	3.7
121.06528	1.3
121.10125	4.4
121.10936	1.0
123.08090	9.9
123.11704	2.9
125.05981	14.9
125.09616	1.9
126.06657	1.2
127.07551	43.8
131.08543	1.7
133.10117	3.0
133.19818	1.0
135.08026	2.5
135.11682	2.6
137.05952	3.0
137.09621	4.9
139.07535	100.0
145.10069	1.5
147.08043	1.1
147.11705	3.3
149.05997	4.0
149.09624	3.7
149.13289	2.3
151.07503	7.1
151.11191	1.1
153.09106	1.2
161.13310	1.8
163.07533	1.7
165.09163	3.7
167.06960	5.0
169.08589	1.4
173.09509	1.1
175.14729	1.1
177.09111	13.0
205.12355	1.1
209.15388	1.5
219.13805	1.3
221.15279	1.5
235.16774	1.4
293.56583	1.2
301.28857	3.5
319.29910	12.8
347.33044	17.6
373.30978	5.3
399.36066	2.2
417.37234	17.9
427.35770	4.1
445.36777	60.9
446.37405	1.5
463.37820	69.4
464.38718	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2114
Annotation	Unknow
Peak:m/z	Relative Intensity
64.49171	1.5
65.03936	1.5
65.25825	1.6
67.05477	2.9
69.07095	2.6
71.67936	1.6
78.50228	1.6
79.05495	4.1
81.07038	6.5
91.05473	16.9
91.08396	1.6
93.07041	33.8
95.08580	2.6
99.00838	1.9
105.07004	2.7
107.04975	2.2
107.08585	32.1
119.04939	32.1
119.08589	2.3
131.04953	1.7
133.10081	2.0
135.11691	44.3
147.04407	100.0
148.04645	2.0
153.12741	5.0
165.05508	3.5
213.09084	6.7
299.16296	5.2
401.92560	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2114
Annotation	Allanxanthone B
Peak:m/z	Relative Intensity
57.41227	0.4
65.03928	1.4
67.05495	0.8
69.07093	0.5
70.38412	2.0
79.05493	4.2
81.07068	1.3
87.29356	0.4
91.05478	15.7
93.07050	11.9
95.04949	0.9
105.07038	0.8
107.04933	0.7
107.08596	22.1
109.06479	0.7
109.10157	0.9
119.04948	26.9
123.11732	0.9
135.11693	37.7
147.04410	100.0
148.04753	0.9
165.05498	2.9
213.09175	2.5
226.59171	0.5
236.34711	0.5
269.93713	0.5
295.13147	0.6
299.16412	7.7
322.91031	0.5
389.85855	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2115
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	1.0
57.28135	0.3
57.93719	0.3
65.03947	1.5
67.05487	1.1
69.07057	0.8
70.62346	1.0
79.05499	3.5
81.07051	1.7
88.61704	0.3
91.05475	15.4
91.76317	0.3
93.07039	11.9
95.04955	1.1
95.08601	0.4
98.20857	0.3
105.07043	1.7
107.04939	0.6
107.08590	23.8
109.06488	0.5
117.86137	0.3
119.04937	24.9
125.55353	0.4
133.10103	0.9
135.11687	34.0
147.04402	100.0
148.04755	1.2
155.00941	0.3
165.05463	2.5
166.40831	0.3
176.06328	0.3
213.09082	1.1
273.03818	0.4
294.98495	0.3
299.16409	8.8
322.24567	1.5
353.15298	0.3
403.08981	0.4
447.99652	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2115
Annotation	Allanxanthone B
Peak:m/z	Relative Intensity
53.03913	1.7
55.05498	4.0
57.03443	1.6
57.07065	3.4
57.12042	1.3
65.03934	2.7
67.05519	7.1
69.03398	1.5
69.07050	4.8
70.06051	7.3
70.70852	1.2
79.05497	13.5
81.07056	31.5
91.04896	2.2
91.05473	42.9
93.06474	3.0
93.07047	54.8
95.04945	5.8
95.08592	9.9
105.07007	7.4
107.04935	5.9
107.08595	73.0
109.06470	1.9
109.10163	7.1
119.04945	47.0
119.08591	3.5
121.02863	2.1
121.10139	2.0
123.11707	48.1
125.09520	1.5
129.07033	2.1
133.10132	5.9
135.11687	78.8
136.12015	1.8
147.04405	100.0
149.09653	1.5
150.41985	1.3
151.11186	3.7
153.12717	9.4
165.05492	2.0
167.08600	1.9
195.08006	3.7
196.71754	1.5
201.05463	1.8
209.09590	3.5
212.08351	1.7
213.09091	28.6
215.83780	1.5
219.82727	1.6
222.93816	1.6
223.07504	1.9
237.09006	2.1
238.97118	1.4
267.13644	1.6
295.13266	2.9
299.16592	1.7
311.08929	2.1
313.14334	12.0
463.14191	1.5
463.24695	5.4
463.30515	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2477
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31464	1.1
53.03946	1.1
55.05501	2.2
55.99404	0.9
56.08892	1.1
57.07056	1.7
57.90968	0.9
62.86109	1.1
65.03927	1.7
67.05504	6.9
69.07054	3.2
70.14580	2.4
70.14992	3.6
74.84633	1.1
79.05492	17.3
81.07058	43.6
82.07378	2.1
82.15582	1.4
91.05479	40.9
93.07046	50.9
95.04966	5.0
95.08613	8.0
99.00790	2.2
103.05470	6.5
105.07035	7.4
107.04980	8.6
107.08596	92.6
108.08926	2.6
109.06490	2.8
109.10162	7.5
117.07037	1.0
119.04939	47.5
119.08589	3.0
120.05750	2.2
121.02847	1.1
123.11708	2.1
131.04929	20.9
133.10117	3.8
135.11690	100.0
136.12067	2.1
137.13268	11.3
143.04959	1.2
145.06425	2.1
145.10158	1.2
147.04405	26.2
148.04756	4.1
153.01802	1.8
153.12746	10.1
157.06482	2.8
163.03925	1.7
163.07574	11.7
165.05531	2.0
165.06915	1.9
167.08499	2.5
177.05450	2.3
177.07007	2.3
187.07565	2.2
189.09044	1.2
194.15373	1.4
195.08087	4.4
213.09113	48.9
214.09442	1.8
215.06999	1.4
233.08087	4.8
249.09019	1.4
253.08592	2.4
265.08563	2.0
281.11661	3.3
282.12039	1.9
295.13403	2.1
309.11273	5.3
311.09207	2.1
327.12482	2.5
463.24545	1.5
463.30289	17.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3783
Annotation	Sarcophyton polyhydroxysterol
Peak:m/z	Relative Intensity
53.03947	1.7
55.05512	12.4
57.07076	34.7
64.19801	1.5
67.05504	7.3
69.07071	22.1
71.08634	25.1
71.18235	2.8
79.05489	3.4
81.07061	19.7
83.08617	12.1
85.10182	17.3
88.18972	1.3
91.05504	2.6
93.07037	6.2
95.08599	14.4
97.06532	2.8
97.10162	11.3
99.04449	5.0
100.06380	1.3
100.60802	1.2
105.07027	6.6
107.04942	1.5
107.08617	6.6
109.06509	13.3
109.10159	9.1
111.11715	5.4
119.08573	6.4
120.78359	1.5
121.06538	1.5
121.10159	4.3
123.08090	10.4
123.11736	3.5
125.05975	15.8
125.13297	2.8
127.07559	40.2
131.08607	2.2
133.10168	3.8
135.08031	2.7
135.11710	3.1
137.05998	5.6
137.09633	3.5
137.13176	2.3
139.07536	100.0
145.10094	2.4
147.08124	1.5
147.11710	2.3
149.05966	2.5
149.09616	2.6
149.13269	1.7
151.07568	6.4
151.11131	1.6
159.11703	1.7
161.13249	1.4
163.07539	3.2
165.09117	4.6
167.07050	4.9
169.08742	1.8
170.22664	1.3
173.13235	1.6
175.11188	2.0
175.14816	2.8
177.09088	13.6
189.12827	2.2
193.12170	1.8
203.14371	2.0
207.13805	1.8
235.16953	1.6
249.14877	1.8
301.28818	6.4
319.29962	10.1
347.33096	14.4
373.30975	6.1
385.34897	1.4
389.38052	1.9
399.36334	2.7
403.35666	2.8
415.42310	1.4
417.37329	17.0
427.35727	4.9
445.36792	69.9
463.37814	77.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1808
Annotation	Forsythoside E
Peak:m/z	Relative Intensity
51.35116	0.8
55.05499	2.9
57.03434	9.8
57.61702	0.8
59.04992	0.9
61.02912	1.7
69.03433	13.0
69.46284	3.2
69.46718	4.0
71.01348	1.1
71.04589	1.9
71.04990	37.8
72.05305	1.2
73.02917	4.7
75.04472	9.9
79.05502	1.3
81.03414	3.0
83.04968	6.9
85.02904	100.0
86.03239	2.0
87.04469	2.0
91.05459	5.5
93.07025	1.7
97.02900	9.1
98.20687	0.9
98.97579	2.6
99.04442	1.2
101.06052	1.3
103.03948	1.6
104.33740	0.7
105.07021	3.1
107.04955	1.8
109.02874	1.1
111.04452	4.9
112.99175	1.4
115.05466	1.5
119.04935	3.4
121.06537	1.7
123.04433	4.4
124.04765	1.1
127.03870	4.4
128.98615	1.3
129.04512	1.9
129.05476	36.9
129.06978	1.5
131.00197	1.2
131.04929	1.8
133.06473	3.1
135.04428	1.5
137.05975	41.9
139.03923	2.2
143.04919	1.4
143.31940	1.1
145.04958	3.4
147.04465	1.9
147.06519	24.9
149.01195	1.5
149.05998	4.8
151.07527	10.4
154.06218	4.3
155.07066	6.4
157.06497	2.0
161.01184	1.2
161.05988	6.8
163.07503	1.1
165.05489	5.3
165.07629	2.4
167.07036	4.4
171.08038	1.0
173.05943	1.1
175.07536	3.5
177.00603	1.2
177.05573	0.9
179.07033	15.9
179.08536	1.3
185.05994	2.7
187.07590	1.3
191.06972	2.6
195.06570	1.9
197.08162	1.7
199.07544	1.6
203.07048	8.1
205.04948	1.4
205.08615	1.4
207.06525	1.8
217.08644	1.7
219.01785	1.7
221.08095	7.9
223.06503	1.1
233.08070	2.6
237.02902	4.7
245.08076	4.5
247.05977	1.9
247.09717	7.8
251.09129	2.8
255.08612	1.9
257.04453	6.2
259.06180	1.0
263.09152	11.9
265.10410	1.9
271.05988	1.2
281.10202	6.3
299.11285	2.5
309.11868	2.3
314.05609	1.0
315.55081	1.2
317.12167	2.6
387.08469	2.7
387.58453	1.0
390.07959	1.5
403.12759	8.5
409.09344	1.6
463.15286	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
62.24112	0.3
63.48604	0.3
65.03932	1.1
69.03439	0.8
71.04987	0.4
71.61756	0.5
73.02924	0.5
79.49774	0.4
81.03421	1.7
81.07061	0.6
81.54331	0.3
85.02902	1.3
89.03891	0.5
91.05480	10.0
93.07047	0.5
95.08579	0.3
97.02897	1.3
100.11312	0.4
105.07085	0.5
107.04930	0.7
107.08541	0.4
107.74416	0.4
109.02868	0.4
119.04939	23.7
120.05280	0.9
121.02885	0.4
123.04455	0.6
129.06972	0.4
135.04416	1.2
137.05988	3.4
145.02867	0.7
147.04404	99.7
148.04704	2.5
149.05960	1.1
151.07556	1.0
153.01785	0.5
157.06447	0.6
161.05952	1.7
163.03908	4.2
164.04382	0.4
165.05493	4.6
167.06947	0.6
173.06058	0.5
175.07489	0.9
177.05383	0.3
179.07039	2.5
185.06004	0.6
189.05493	0.7
191.07010	0.6
199.07512	0.5
203.06996	1.7
217.08682	1.0
221.08165	0.8
233.08046	0.7
245.08179	1.7
249.07603	0.8
258.05215	14.4
259.05557	0.4
263.09058	2.0
273.04187	0.5
286.04715	34.1
287.05396	2.0
291.08459	0.6
301.07056	100.0
302.07230	2.5
303.04916	0.8
309.09662	1.6
403.06613	0.7
463.12225	0.8
474.37375	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.181
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47291	0.9
53.03939	1.4
53.05559	0.9
53.77211	0.9
53.77522	0.9
55.05499	3.0
56.96563	3.1
57.03436	9.1
61.02911	3.1
69.03421	14.2
71.04987	45.5
71.27731	2.3
72.05318	1.9
73.02893	4.6
75.04469	9.3
76.62041	1.1
81.03406	2.1
83.04979	7.9
84.96015	1.3
85.02898	100.0
86.03234	3.2
87.04485	2.0
91.05447	5.1
93.07031	1.7
95.08577	1.2
97.02898	8.0
98.97583	6.0
100.49504	1.0
101.06004	1.4
103.03935	2.5
103.05431	1.2
105.07018	2.6
107.04934	2.8
109.02885	2.4
110.97576	2.7
111.04438	4.7
116.09148	0.9
116.98599	4.4
119.04941	2.5
121.06479	6.4
123.04404	8.8
124.04788	2.2
127.03932	5.7
128.98602	2.8
129.05470	31.6
129.06935	2.4
130.05809	1.1
131.00171	2.3
131.04897	1.7
133.06467	2.3
134.99625	2.6
135.04420	2.1
137.05966	32.2
139.03896	3.8
143.00140	1.2
143.04962	1.0
145.04936	4.0
146.99661	3.0
147.04500	2.2
147.06509	15.5
149.01212	3.1
149.05965	5.6
151.03864	1.2
151.07549	8.7
153.06891	1.3
154.06244	4.0
155.06932	4.0
157.06468	1.9
161.01213	2.1
161.06007	6.2
163.03918	3.3
163.07576	1.0
165.04294	1.1
165.05432	5.5
167.07004	4.2
171.07967	1.2
173.05980	2.3
175.07526	2.7
177.00693	1.9
177.05550	1.0
179.07034	15.4
185.01190	1.5
185.05885	1.6
187.03940	1.7
187.07463	1.4
189.00749	1.7
189.05409	1.6
191.07036	2.3
199.07561	1.1
203.02232	2.6
203.07013	6.4
207.06511	1.4
219.01761	2.4
221.08054	6.6
223.06381	1.2
227.02301	1.4
227.07027	1.6
229.05078	2.3
233.08066	1.0
237.02821	9.2
237.05162	1.5
242.03362	1.0
245.03394	1.1
245.08070	4.5
247.06012	6.9
247.09584	5.7
251.09152	1.2
255.08702	1.4
257.04449	20.0
258.04767	2.4
263.09058	8.3
265.10812	2.1
271.05957	2.7
281.10147	3.4
283.05908	2.4
299.11176	2.8
305.05472	1.3
309.11652	1.7
314.05374	2.2
317.12228	2.7
355.90686	1.0
371.06363	1.3
387.08444	8.3
387.58463	3.6
390.07864	2.3
390.57617	1.4
391.12460	1.1
396.08847	4.3
396.59024	1.7
403.12823	8.9
407.59778	1.3
409.08856	1.8
439.08948	1.2
463.15036	4.8
463.21295	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	463.1598
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38900	0.1
55.05485	0.2
57.03437	0.2
61.02913	0.2
65.03927	0.3
65.88311	0.1
69.03442	0.2
69.07079	0.1
71.04998	0.2
71.59041	0.2
81.03399	0.6
85.02904	0.8
89.03920	0.2
91.05476	5.3
93.07050	0.3
97.02888	0.6
103.05461	0.2
105.07062	0.2
107.04955	0.2
107.08546	0.2
109.02842	0.4
117.03438	0.2
119.04942	10.4
120.05284	0.2
121.02889	0.3
121.06484	0.4
121.10148	0.2
123.04433	0.2
127.03947	0.2
129.06967	0.2
131.04918	0.3
135.04370	0.5
137.05971	1.9
145.02838	0.4
147.04404	39.2
148.04724	1.1
149.05981	0.4
151.03787	0.2
151.07462	0.4
153.01854	0.6
161.05992	0.7
163.03909	2.8
165.05493	2.1
167.07018	0.3
173.05888	0.2
175.07542	0.2
177.16339	0.2
179.07051	0.9
185.05899	0.3
189.05460	0.3
191.03362	0.2
191.07039	0.3
201.05478	0.2
203.07007	0.7
217.08617	0.2
221.08025	0.4
229.04893	0.4
233.08032	0.3
245.08122	0.8
249.07703	0.3
257.04474	0.2
258.05234	15.0
259.05585	0.4
263.09003	0.9
273.03873	0.3
281.10254	0.2
283.05914	0.2
283.15356	0.3
286.04709	37.5
287.05222	2.0
291.08658	0.5
301.07053	100.0
302.07401	2.8
303.04788	0.2
309.09625	0.8
346.13507	0.1
397.20770	0.2
403.06641	0.4
459.64355	0.2
463.12320	1.3
463.18280	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1598
Annotation	2-(4-Hydroxyphenyl)-ethyl-(6-O-caffeoyl)-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
54.35846	0.6
57.03420	1.2
66.16660	0.6
69.03427	4.0
69.60465	0.6
70.06573	1.1
77.08645	0.6
79.05505	0.9
81.03391	1.6
85.02888	2.6
89.03912	3.8
91.05483	1.2
97.02893	5.4
98.21497	2.1
107.04958	2.2
108.58273	0.7
115.03952	1.6
117.03365	5.1
119.04935	1.5
119.08516	0.8
121.02821	0.9
121.06492	2.5
127.03889	0.7
133.04909	1.2
135.03401	0.9
135.04410	12.9
137.05966	1.6
145.02855	9.4
147.04410	4.5
148.04723	2.2
152.07114	0.8
161.06004	0.8
163.03906	100.0
164.04291	1.1
165.58195	0.6
181.04958	2.3
283.11786	0.7
307.08188	1.2
325.09177	10.2
335.09668	0.6
463.17587	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	463.1235
Annotation	Kaempferide 3-galactoside
Peak:m/z	Relative Intensity
57.03415	0.2
69.03410	0.4
69.67766	0.8
71.04984	0.1
73.02889	0.3
75.59028	0.1
81.07066	0.1
85.02871	0.2
95.04963	0.1
95.08585	0.1
97.02919	0.1
107.04970	0.2
107.08608	0.3
115.03815	0.2
121.02792	0.2
121.10103	0.3
129.13499	0.1
135.04393	0.2
137.06009	0.6
147.04404	0.2
150.20361	0.1
153.01799	0.3
163.03911	0.8
166.45947	0.1
167.07025	0.3
173.05972	0.1
175.07532	0.3
177.16348	0.4
178.16660	0.2
195.17599	0.1
205.08516	0.1
217.08633	0.3
229.04884	0.2
237.02707	0.2
247.09499	0.2
257.04465	0.2
258.05231	13.1
259.05573	0.3
273.03799	0.2
285.07388	0.2
286.04703	32.7
287.05075	1.0
301.07047	100.0
302.07376	3.2
445.18442	0.2
463.12317	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1597
Annotation	CHEBI:65664
Peak:m/z	Relative Intensity
57.03423	0.5
65.03939	1.0
67.07092	0.4
69.03416	1.0
70.77448	1.3
72.13257	0.5
81.03409	1.3
85.02885	1.3
91.05473	10.9
91.67222	0.4
97.02895	1.3
100.11264	0.7
105.07021	0.6
115.05492	0.5
119.04932	24.6
121.06552	0.7
123.04404	0.5
129.07024	0.6
133.06450	0.7
137.05960	2.3
147.04402	100.0
148.04756	1.7
149.05971	1.2
151.07564	1.3
157.06487	0.7
161.05968	1.9
163.03883	1.4
165.05484	4.7
167.07071	0.6
173.05907	0.5
175.07552	1.3
177.05536	0.6
179.07028	2.3
185.05981	0.9
189.05499	0.5
191.07039	0.6
199.07532	0.5
203.07031	2.2
205.08620	0.5
207.06525	0.7
209.66272	0.4
217.08615	1.1
221.08096	1.7
227.07002	0.6
233.08092	1.5
245.08121	2.7
258.05157	2.7
263.09167	3.2
281.10187	0.9
286.04718	9.8
301.07050	26.9
309.09708	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1234
Annotation	Isorhamnetin 3-rhamnoside
Peak:m/z	Relative Intensity
51.80627	0.3
55.05489	0.5
57.03432	7.1
62.30640	0.3
67.05507	0.4
67.35397	0.3
69.03408	0.6
69.07044	0.5
70.32880	1.0
71.04972	1.2
73.02908	3.0
75.04475	29.5
79.05476	0.4
81.03402	0.4
81.07034	0.6
83.04978	0.5
85.02899	3.2
92.02619	0.7
93.03398	1.0
93.07021	0.6
105.07034	0.7
107.04895	0.3
107.08604	0.6
107.96649	0.3
109.10110	0.5
111.04449	0.3
121.02844	1.4
121.06493	0.5
126.03121	0.4
129.05417	0.3
133.10115	0.3
135.04424	0.4
137.05959	0.7
139.03882	1.0
147.04393	0.9
151.03889	0.5
153.01819	5.6
153.03000	0.5
163.03885	2.0
165.01857	0.7
173.05827	0.3
177.05530	0.4
191.03308	0.6
201.05534	0.4
203.03435	0.5
217.04916	0.4
218.05818	0.5
223.13295	0.4
228.04196	0.9
229.04984	2.6
245.04478	0.9
246.05255	1.3
255.01947	0.3
257.04495	2.1
273.03918	1.9
274.04721	4.0
285.03876	3.4
286.04874	0.6
301.03754	0.4
301.07037	1.2
302.00751	0.7
302.04193	10.9
317.06543	100.0
318.06769	2.5
463.26904	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1235
Annotation	Unknow
Peak:m/z	Relative Intensity
55.38748	0.2
55.39033	0.2
57.33983	0.2
62.24313	0.2
65.03928	0.3
69.03442	0.2
69.48038	1.9
71.32597	0.2
73.35194	0.2
79.96282	0.2
81.03408	0.2
85.02889	0.4
91.05475	2.3
97.02879	0.4
97.19746	0.2
119.04927	5.1
121.02863	0.2
121.06487	0.3
121.10193	0.3
133.06546	0.3
135.04430	0.2
137.05923	1.0
147.04404	22.2
148.04729	0.6
151.07535	0.4
153.01840	0.3
161.05981	0.3
163.03902	0.8
165.05522	0.9
167.06976	0.2
179.06984	0.4
199.07632	0.2
199.97943	0.2
202.67868	0.2
203.06958	0.3
221.08057	0.3
229.04871	0.2
234.39867	0.2
245.07967	0.4
258.05228	11.8
263.09024	0.4
286.04706	34.0
287.05328	2.0
301.07050	100.0
302.07361	2.4
403.06476	0.5
463.12234	1.2
464.11566	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1234
Annotation	Isorhamnetin 3-rhamnoside
Peak:m/z	Relative Intensity
53.03945	0.5
55.01872	0.5
55.05497	0.6
57.03433	4.4
61.02913	0.4
65.03938	0.5
69.03415	1.2
70.99474	0.7
71.01372	0.4
71.04990	31.5
72.35551	0.3
73.02909	0.5
75.04469	0.9
79.05475	0.5
80.97153	0.3
81.03395	0.4
81.07043	0.5
83.04969	0.7
85.02901	28.7
87.04453	1.0
91.05492	1.5
92.02608	1.1
93.03389	0.8
93.06998	0.7
95.04959	0.4
95.08598	0.7
97.02893	1.0
103.05422	0.5
107.04942	0.6
111.04449	0.5
119.04948	2.6
121.02896	1.6
121.06481	0.5
122.06850	0.6
129.05478	6.4
131.04907	0.4
135.04411	0.5
137.02257	0.3
137.05949	0.9
139.03909	1.0
143.08585	0.5
147.04407	9.0
147.06487	1.2
149.91190	0.4
151.03920	1.3
153.01810	7.1
153.02972	0.5
161.05960	0.7
163.03899	2.6
165.01828	0.6
166.02634	0.4
177.05545	0.4
179.07077	0.4
181.04929	0.3
183.02966	0.3
191.03392	1.1
201.05460	0.8
201.88141	0.4
203.03448	0.6
207.06488	0.4
217.05064	0.6
218.05801	0.6
228.04160	1.3
229.04930	2.8
231.02881	0.4
243.08789	0.6
244.09512	1.1
245.04475	1.4
246.05124	1.6
257.04431	2.5
258.05188	1.1
260.03152	0.4
273.03918	2.4
274.04657	4.7
284.03073	0.4
285.03918	4.7
286.04742	3.0
301.03601	0.4
301.07037	8.0
301.12363	0.6
302.04199	12.9
317.06540	100.0
318.06912	2.8
329.06543	0.8
359.07516	1.3
366.21875	0.4
379.16443	0.4
383.07404	0.4
392.56384	0.3
400.30972	0.4
409.09137	0.3
427.10257	1.2
463.12503	0.5
467.74484	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03420	6.7
60.14725	2.4
69.03412	2.9
70.06588	5.2
70.84431	5.9
70.84746	2.5
71.05002	3.5
75.04479	3.0
75.83488	2.5
79.19807	2.4
81.03432	2.6
85.02912	12.0
86.09690	4.0
95.04962	2.6
95.08575	2.7
97.02853	3.9
103.05473	3.4
105.07027	18.5
107.04947	10.7
109.02858	2.5
111.26537	3.0
120.08105	4.7
121.06520	2.3
126.80261	2.9
127.03874	2.6
131.04916	4.9
133.06482	55.2
135.04431	4.1
137.05978	100.0
138.05495	10.2
147.08022	2.9
149.05891	2.7
151.07603	4.6
154.86113	2.4
159.08055	3.8
161.05911	4.4
163.03883	20.0
163.07542	6.4
164.04218	6.0
165.05499	4.8
165.09119	37.5
175.07576	3.0
181.08577	4.7
183.10176	40.7
191.10652	3.5
209.08090	3.5
209.11649	3.6
221.11800	5.3
239.12775	7.1
257.11139	5.0
257.13837	93.2
265.05072	3.0
265.14410	2.8
283.06351	2.6
283.11673	4.7
300.14499	4.2
300.17758	3.8
313.90274	2.5
462.22540	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	463.0698
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25549	0.7
69.03418	2.1
69.34364	8.5
71.04985	0.9
85.02898	3.7
95.05022	0.8
97.02892	2.6
108.67411	0.7
117.03391	1.0
119.01906	2.5
120.95364	1.5
127.20841	0.7
131.01877	1.6
135.04446	1.2
137.02928	1.3
138.96397	1.2
143.01926	1.8
145.03436	1.3
155.01929	1.8
156.97510	6.8
157.03456	1.1
161.02960	2.2
163.03926	4.4
173.02971	3.4
174.97018	1.1
174.98537	12.9
180.97418	5.7
185.03059	4.0
197.02931	1.4
198.98537	100.0
199.98619	2.5
201.00117	1.6
203.03949	1.8
210.98474	3.7
213.00098	3.4
215.04012	1.1
216.99591	57.3
217.99719	1.1
222.00096	4.5
222.98555	1.4
225.00029	0.9
227.03867	0.8
228.99597	8.9
231.01073	1.0
234.98529	3.8
240.01131	2.7
240.99568	16.1
241.01804	1.2
243.01276	1.4
245.05092	6.0
247.00681	1.5
252.99561	2.4
257.02753	4.4
259.00665	15.2
263.05869	1.3
271.00607	1.3
271.04288	2.7
275.06097	1.2
277.01675	5.9
282.02029	1.2
283.00644	9.7
294.93237	0.9
301.01691	32.6
305.07285	1.1
319.02676	10.2
324.03177	0.9
335.08151	1.1
342.04214	2.5
343.02747	2.1
373.03531	0.8
449.48557	0.8
463.06662	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	462.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.1
55.01862	1.7
55.05496	2.1
57.03436	10.8
59.04979	1.0
60.04509	1.5
61.02911	3.0
61.99518	0.6
62.37833	0.6
66.35162	0.6
69.03423	6.1
70.06583	0.9
71.01360	0.9
71.04988	56.6
71.21857	2.0
71.97072	0.7
73.02914	8.8
75.04483	2.4
81.03422	2.8
83.04977	7.8
84.04500	0.9
85.02900	100.0
86.06065	1.0
86.09706	1.1
87.04470	3.8
91.03945	1.1
91.05420	0.8
93.07030	0.8
95.04964	1.1
97.02877	9.3
98.97575	0.7
99.04464	1.9
101.06043	1.0
103.03988	0.8
105.07043	2.4
107.04960	3.3
107.08568	0.7
109.02852	1.7
110.06104	0.8
111.04436	5.4
115.03928	4.0
119.08582	1.1
121.06497	7.2
123.04420	1.1
123.08080	0.7
127.03903	8.2
127.77351	0.7
129.05469	37.5
133.04984	1.5
133.06482	6.7
135.04362	1.2
135.08035	1.0
135.10657	0.7
137.05965	2.6
138.05515	2.0
139.03894	1.1
144.06570	0.9
145.04955	9.2
145.06090	0.9
145.06555	1.0
145.10176	0.7
147.04411	1.9
147.06505	4.2
149.09671	0.8
151.07539	0.8
154.06212	0.8
159.08022	0.9
161.05968	2.1
161.42989	0.8
162.07565	1.7
163.03918	3.1
163.06065	2.3
163.07489	0.8
164.04248	1.7
164.09154	4.6
168.06564	0.8
175.07603	1.6
179.07076	0.8
180.08621	0.9
183.85577	0.7
187.07587	1.5
201.12674	0.9
203.07057	2.5
203.10399	0.8
217.08720	0.9
235.09724	1.9
236.64449	0.7
237.07663	1.0
247.13336	2.6
255.08687	2.1
265.10916	1.4
265.14413	9.7
273.09781	1.9
273.68436	0.7
281.10272	0.8
282.12427	0.9
309.11798	3.4
316.13928	1.6
462.19092	2.6
463.15866	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.2
55.01864	3.0
57.03435	42.8
58.06599	3.8
58.14096	1.7
61.02925	13.5
67.09795	1.6
69.03420	40.1
70.03503	9.2
71.01351	5.0
73.02914	100.0
81.03408	7.5
81.07105	1.9
85.02902	61.5
85.03426	3.1
85.53716	1.5
87.04472	4.9
89.03959	2.0
91.03944	2.5
93.07024	2.2
97.02888	69.2
99.04459	2.9
100.11250	2.1
103.05487	2.5
105.07025	3.1
107.04945	33.5
108.05296	15.6
109.02888	6.0
111.04480	1.8
115.03925	75.4
115.04755	3.8
117.03346	3.2
118.33311	1.6
119.05005	2.8
121.06489	11.9
123.04419	14.9
127.03909	20.1
129.06961	1.8
133.04961	24.5
133.06487	2.2
135.04411	6.7
137.06010	2.5
145.02821	3.6
145.04948	26.7
147.04390	5.5
151.07538	39.7
152.07906	2.0
161.05954	2.0
163.03897	36.9
163.05923	10.6
181.04881	2.7
187.07565	3.4
205.04984	3.7
206.05273	2.8
223.05998	7.2
223.16411	1.8
235.05981	3.9
241.07060	7.2
247.09753	3.2
259.08191	4.7
263.41745	2.0
295.10358	6.4
311.09189	5.0
312.09457	15.9
325.09036	2.0
341.10245	3.2
342.10516	14.4
366.10501	11.2
390.10101	2.4
396.11493	6.7
408.11740	5.8
410.85065	2.0
417.13403	4.4
426.12772	6.0
444.13440	3.3
460.63846	2.0
462.18994	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	462.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.8
55.01858	1.5
55.05506	2.0
57.03149	0.6
57.03432	10.6
59.06115	0.7
60.04514	1.3
61.02911	2.0
69.03432	5.4
70.06586	0.7
71.04990	58.5
71.61102	0.8
71.61475	0.7
72.08166	1.0
73.02907	3.6
74.06063	0.8
75.04095	0.6
75.04469	3.1
79.05492	1.9
81.03421	2.1
83.04970	8.0
85.02899	100.0
86.06073	0.9
86.09716	0.7
87.04471	2.6
89.06023	1.0
91.03947	0.8
91.05439	1.7
95.04959	1.1
95.08556	0.6
97.02882	6.8
99.04449	2.4
101.06003	1.4
101.07122	0.8
103.03946	1.0
103.05486	0.7
103.72135	0.6
105.07027	12.2
107.04948	6.0
108.26745	0.7
109.02873	1.6
110.06012	0.7
111.04437	7.9
114.06651	1.0
114.07673	0.7
115.03878	0.7
115.05473	0.9
119.04953	1.5
121.06530	2.4
123.04432	2.8
127.03905	8.4
129.05475	38.8
133.06487	52.6
134.06866	0.8
135.04407	1.4
137.05914	3.7
138.05498	12.6
138.06522	1.0
144.06529	0.8
145.04964	9.1
145.06255	0.8
146.08217	0.9
147.04474	2.9
147.06505	6.2
154.06271	2.0
157.06493	0.6
161.05991	6.5
162.07626	0.7
163.03911	2.7
163.06041	2.7
164.09171	5.3
166.61461	0.6
167.07053	1.8
175.07558	1.1
180.08667	1.3
193.08539	3.2
203.07086	2.1
210.13797	0.7
247.09668	0.7
247.13301	0.7
255.08597	2.3
263.08926	0.6
265.10709	1.9
265.14377	3.7
269.11838	1.6
273.09778	2.4
275.03397	0.6
281.10376	0.7
283.17587	1.5
300.16013	1.7
309.11823	3.6
316.13885	1.6
462.20874	5.7
463.15546	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45439	0.5
52.73759	0.6
55.05505	0.8
57.03436	7.0
59.04989	1.6
61.02916	1.7
68.43618	0.5
69.03429	20.2
70.86044	1.6
73.02913	5.2
75.04478	1.1
81.03408	1.9
83.59643	0.5
84.41831	0.6
85.02900	18.9
87.04462	13.6
89.03938	0.7
91.05493	2.8
92.05817	0.8
92.06432	0.5
97.02890	18.2
100.11224	2.9
107.04948	1.6
110.03606	0.5
111.04432	0.6
115.03923	32.2
117.03358	1.0
119.04958	5.8
121.02877	0.7
121.06546	0.7
123.04401	3.6
126.29524	0.5
127.03909	3.7
133.04959	40.3
135.04448	2.6
136.01511	0.6
137.05960	2.4
138.06328	0.9
145.02812	1.7
145.04948	4.1
147.04401	22.6
148.04759	1.0
149.05968	0.8
150.07588	2.3
151.07512	7.8
163.03908	15.8
163.06047	0.9
163.07521	1.1
164.04266	1.2
165.05396	1.3
175.07552	1.6
182.15343	1.5
187.07538	1.3
191.07161	0.6
193.08614	1.1
198.79614	0.5
203.07185	0.7
209.16460	0.8
210.14894	1.3
217.08733	0.9
223.06107	0.9
229.08621	1.4
241.07184	1.4
245.07980	0.6
258.05225	10.7
259.08051	2.5
277.09128	0.5
286.04709	33.0
295.10168	1.5
301.07053	100.0
309.09689	1.2
325.09189	0.9
343.30600	0.6
453.34317	1.8
462.18997	1.1
462.35034	0.9
463.12323	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.6
55.01874	0.7
56.96554	2.1
57.03442	2.8
60.88729	0.4
61.02928	1.7
63.21896	0.5
66.24967	0.4
69.03433	4.1
71.04988	1.8
71.24156	0.9
72.08169	0.6
73.02909	4.5
81.03426	1.2
83.04983	0.7
85.02902	11.0
87.04490	0.5
91.05822	0.5
93.07068	0.6
94.06572	1.4
95.04946	2.0
97.02895	4.8
98.97600	1.8
99.04484	0.6
107.04954	73.6
107.21848	0.4
108.04502	1.6
108.05249	0.7
109.02894	0.8
115.03935	1.8
116.98647	1.9
119.04935	1.1
121.06523	2.4
122.06036	4.5
123.04408	1.0
127.03886	2.3
128.98602	0.6
129.05475	0.6
129.10217	0.6
133.04961	0.5
133.06430	0.5
134.99677	1.5
135.04425	1.4
136.06221	2.0
136.07567	0.7
137.06004	2.2
138.05447	0.5
145.02728	0.4
145.04976	1.6
146.99585	0.9
147.04411	1.2
150.05524	1.8
151.03967	0.6
158.99591	0.6
161.01187	0.8
163.02748	0.5
163.03896	2.7
164.04176	0.8
167.05559	0.8
168.06558	100.0
169.06950	1.4
176.03252	0.5
177.00713	1.1
177.30331	0.4
179.07037	0.7
189.00716	0.8
201.00494	0.5
208.04955	0.5
209.09305	0.4
217.05492	0.5
219.01775	0.9
237.02927	2.0
245.01059	0.5
271.53030	0.5
330.11710	0.6
359.02502	0.5
415.09402	0.5
433.09479	0.6
462.20221	0.5
462.26666	0.5
463.14355	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.3261
Annotation	Stoloniferone G
Peak:m/z	Relative Intensity
52.43983	0.3
55.05513	1.5
57.07075	3.0
67.01846	0.4
67.05492	1.0
69.07069	1.6
70.09770	1.5
71.08610	1.1
79.05478	0.7
81.07059	2.5
83.08604	0.5
91.05492	0.4
93.07023	0.6
95.08595	1.0
105.36221	0.3
107.04940	0.5
107.08575	0.6
109.10165	0.5
119.04958	0.4
121.10139	0.4
123.04402	0.5
135.11664	0.3
137.06024	0.6
139.03886	2.3
147.04315	0.8
148.74554	0.3
153.01825	10.9
154.02180	0.3
163.03833	0.8
165.05479	0.3
177.05417	0.6
179.03366	3.2
191.03386	0.9
191.06978	0.7
192.04179	5.3
193.04947	1.9
205.04953	14.1
219.06456	1.2
219.10112	0.3
233.08153	0.6
247.09706	0.8
254.70370	0.3
261.11255	1.1
275.12817	1.4
289.14288	1.8
303.15869	2.4
317.17410	2.7
331.19012	3.4
345.20648	3.9
359.22079	3.4
373.23721	3.6
387.25345	2.5
401.26947	1.3
443.31552	100.0
444.31815	1.8
461.19360	0.3
461.32648	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.238
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94170	1.1
55.01861	2.8
55.05501	5.5
57.03411	1.3
67.05486	3.1
69.03427	7.1
69.07066	8.9
69.44144	5.9
69.44571	2.9
71.04980	3.1
79.05478	3.4
81.03408	3.2
81.07058	10.0
83.04948	1.6
83.08640	5.5
85.02897	11.0
85.06540	2.1
87.00842	6.0
88.82336	1.0
90.69979	0.9
91.05463	3.7
93.07062	8.3
95.08606	24.4
97.02886	5.7
97.10150	3.9
98.21536	2.0
99.04444	1.5
99.08096	15.5
105.01875	7.7
105.07018	2.5
107.07869	1.6
107.08591	25.5
109.02871	3.0
109.10156	5.6
111.08074	6.0
113.09597	1.8
121.10138	42.6
123.11704	1.8
125.09639	6.2
127.03905	7.6
135.11684	8.1
137.13246	6.5
145.04990	4.0
147.89264	1.0
149.13242	3.1
163.03862	4.7
175.14932	1.3
177.16377	100.0
178.16743	2.5
186.38362	1.1
195.17436	23.6
211.16827	1.0
213.18503	30.8
231.04994	1.9
278.60190	0.9
297.11441	0.9
457.22330	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2898
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	4.5
55.01870	4.0
55.05508	17.7
55.95832	2.0
56.96562	3.0
57.03424	3.3
65.03912	3.4
67.05507	39.0
69.03410	2.5
69.07050	11.6
71.04990	5.3
71.59611	5.5
79.05496	34.1
79.94509	2.0
81.03419	40.9
81.07058	45.6
83.04993	5.7
83.08620	13.2
85.06532	2.7
91.05477	34.2
93.07051	35.8
95.04975	23.3
95.08608	19.4
97.06541	5.9
97.10161	5.5
105.04545	2.2
105.07036	20.7
107.04950	9.4
107.08597	25.3
109.06490	4.9
109.10175	14.1
111.08080	9.4
117.07014	10.1
119.04922	9.3
119.08585	13.8
121.06498	6.3
121.10117	10.8
123.08060	6.5
123.11720	4.4
125.09619	6.1
128.06171	2.9
129.07018	8.2
131.04984	2.8
131.08589	15.0
133.06456	5.5
133.10129	11.9
135.04393	2.7
135.08047	2.8
135.11652	12.4
142.07797	3.0
143.08560	5.3
145.06465	5.1
145.10153	8.7
147.04411	32.4
147.08043	6.2
147.11707	6.8
149.09662	5.9
149.13301	13.7
151.11134	4.0
157.10124	8.8
159.08078	3.6
159.11687	7.8
159.95883	2.6
163.03810	3.7
165.09108	5.0
171.11658	3.5
175.11131	4.9
177.12840	5.3
189.11296	4.0
193.12268	14.3
195.13779	4.6
216.19954	2.8
227.12796	2.4
247.08476	2.3
249.14957	3.2
257.15805	2.6
297.15030	2.6
310.23334	2.2
343.22678	3.0
351.23251	4.2
369.24142	9.2
387.25272	6.5
392.13068	2.3
417.26434	4.9
443.27802	15.0
461.28992	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1955
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47104	0.3
55.05510	0.6
65.03942	0.9
66.00134	0.2
67.05495	0.9
71.58352	0.4
78.27296	0.3
79.05488	0.9
80.11389	0.3
81.03423	0.5
81.07066	1.8
81.32502	0.2
91.05479	12.6
93.07043	1.0
95.04970	0.5
95.08598	0.9
97.70403	0.3
105.07031	6.5
107.04943	0.6
107.08589	1.0
109.10148	1.0
117.07020	0.9
118.07787	0.4
119.04945	22.0
119.08580	0.5
121.10152	0.5
127.62891	0.3
131.08574	0.8
133.06480	0.4
133.10132	14.0
135.11646	0.5
143.08575	0.5
145.10121	0.4
147.04410	100.0
148.04778	0.6
151.11240	0.5
157.10168	0.3
165.05438	0.4
172.35149	0.3
203.10672	0.6
297.14847	0.3
341.24814	0.3
351.23343	0.3
369.24298	0.5
425.58478	0.3
443.27652	0.9
461.19394	1.0
461.29169	2.0
461.35028	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1957
Annotation	Unknow
Peak:m/z	Relative Intensity
54.96903	0.2
55.05471	0.3
65.03933	1.4
67.05489	0.3
68.58892	0.2
70.22482	0.9
81.07053	0.7
83.86562	0.2
88.25536	0.2
91.05477	12.4
93.07037	0.4
95.08593	0.3
105.07028	1.7
107.04988	0.3
107.08576	0.4
109.10146	0.7
111.55531	0.2
119.04936	24.5
120.05252	0.4
122.93726	0.2
128.62315	0.2
133.10136	2.1
147.04404	100.0
148.04744	0.7
159.17874	0.2
163.03917	0.3
165.05482	0.4
185.14638	0.2
203.73978	0.2
208.32233	0.3
264.33438	0.3
297.14853	2.0
461.29233	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1957
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.6
65.03948	1.3
67.05498	0.8
69.07059	0.4
70.99781	0.3
71.00114	0.4
77.03950	0.2
79.05508	0.9
81.03391	0.3
81.07054	1.1
83.08608	0.3
84.93813	0.2
88.76671	0.2
91.05478	13.8
92.05804	0.3
93.07034	0.9
95.04961	0.3
95.08605	0.6
105.07032	5.1
107.04934	0.3
107.08582	0.8
109.10183	0.5
117.07014	0.5
119.04938	24.1
119.08562	0.4
121.10107	0.3
123.11671	0.2
129.07019	0.4
131.04877	0.2
131.08574	0.8
133.10143	2.3
135.11687	0.5
143.08614	0.3
147.04404	100.0
148.04729	1.0
151.11143	0.4
155.08557	0.3
165.05461	0.6
167.83286	0.2
169.10130	0.2
180.49261	0.2
258.99722	0.2
265.08524	0.2
293.07996	0.4
297.14856	6.5
297.18164	0.4
311.09491	0.2
347.79642	0.2
351.23346	0.4
368.55313	0.2
369.24286	0.5
387.25305	0.2
443.27853	0.6
461.19308	0.6
461.29163	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1957
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24378	0.1
55.05508	0.2
65.03931	0.9
67.05495	0.2
71.05612	0.3
73.00265	0.1
79.05499	0.3
79.54203	0.1
91.05478	10.9
92.05802	0.2
92.07810	0.1
93.07046	0.3
95.04971	0.3
103.05476	0.1
105.07026	5.7
119.04938	22.8
120.05263	0.2
131.08618	0.1
133.09105	0.2
133.10123	4.7
147.04404	100.0
148.04739	0.8
165.05440	0.8
191.82205	0.1
297.14838	2.8
461.28644	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1956
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.2
55.05523	0.2
65.03931	1.3
67.05482	0.4
69.07066	0.3
69.99451	1.1
79.05491	0.7
81.07060	0.5
91.05476	13.1
93.07036	1.2
95.04960	0.3
105.07024	5.4
107.04964	0.3
107.08587	1.7
109.06511	0.2
109.10152	0.5
119.04935	25.0
120.05291	0.4
121.02875	0.6
131.08607	0.3
133.10121	6.3
135.11664	1.4
147.04399	100.0
148.04764	1.8
159.70512	0.2
165.05499	0.9
165.06696	0.2
183.07994	0.2
202.42841	0.2
207.08043	0.6
225.41580	0.2
228.07095	0.2
235.07454	0.9
253.08624	1.3
263.06964	0.7
275.41498	0.2
281.08081	3.3
291.06561	0.5
297.14926	1.0
309.07562	0.7
400.65387	0.2
421.23322	0.2
461.19449	0.2
461.29080	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1957
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13329	0.1
51.02371	0.1
53.03940	0.2
55.05497	0.5
60.31353	0.1
65.03929	1.1
67.05501	0.6
67.34452	0.2
69.54182	0.8
69.54613	0.5
73.80016	0.1
79.05492	0.8
81.03428	0.3
81.07053	0.7
86.67150	0.1
89.26929	0.1
91.05477	12.6
93.07047	1.0
93.08423	0.2
95.04977	0.4
95.08597	0.5
103.05412	0.3
105.07029	4.5
107.04951	0.4
107.08611	1.1
109.10152	0.3
117.07051	0.2
118.63434	0.1
119.04938	24.2
119.08569	0.3
120.05296	0.5
121.02889	0.2
121.10121	0.2
123.11703	0.2
129.06987	0.2
131.04936	0.3
131.08575	0.4
133.06503	0.2
133.10132	2.2
135.04431	0.2
135.11679	0.5
147.04402	100.0
148.04704	1.8
165.05476	0.7
171.11667	0.1
203.70250	0.2
220.67171	0.2
297.14828	6.6
298.15131	0.4
309.11206	0.2
369.24399	0.2
428.73471	0.2
443.27643	0.4
461.19388	0.2
461.28918	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1957
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28596	0.2
65.03929	1.3
68.31980	0.1
70.07247	0.1
70.26624	0.6
70.26994	0.3
75.03592	0.2
78.72904	0.2
79.05482	0.4
80.10728	0.2
81.07070	0.4
91.05479	10.5
93.07050	0.6
95.93902	0.2
98.21510	0.2
105.07050	0.6
107.08589	1.3
109.10181	0.4
117.06950	0.2
119.04939	23.7
133.10110	0.6
135.11697	1.0
147.04405	100.0
148.04767	0.9
223.63574	0.2
263.07013	0.5
291.06631	0.5
295.60046	0.2
297.14743	0.2
304.58533	0.2
309.07593	0.5
312.83008	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1441
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	0.3
53.03936	0.7
55.01854	0.5
57.03440	0.5
65.03941	0.4
69.03415	0.7
70.14574	1.5
73.02911	0.6
77.03918	0.4
79.05489	1.3
81.03419	1.0
85.02923	1.4
91.05488	2.4
93.07021	0.5
94.99517	0.3
95.04955	1.9
97.02881	1.1
103.03965	0.4
103.05472	0.6
105.04487	0.3
106.49986	0.3
107.04946	100.0
108.05279	1.2
109.02862	0.6
119.04942	1.4
121.02869	1.1
123.04436	0.7
131.04918	0.7
133.86836	0.3
135.04401	0.6
137.05971	3.5
147.04410	3.9
151.03958	0.4
151.07533	0.4
161.05974	0.5
163.03902	1.2
163.07556	0.4
165.01839	0.9
177.05438	0.4
179.03383	0.8
183.02904	0.9
189.05443	2.6
192.04221	0.6
193.04961	1.2
201.05576	0.3
203.07082	1.4
204.04187	0.4
205.04944	17.3
206.05685	1.1
217.04945	3.2
217.08498	0.5
227.07010	0.8
229.04979	0.8
230.05774	0.8
231.02985	0.6
231.06512	6.6
232.06894	0.3
234.05203	0.4
235.05988	12.9
236.06392	0.6
243.06604	0.3
244.07272	0.5
245.08076	2.8
254.05621	0.6
255.06522	0.9
259.06027	3.0
270.05255	0.4
271.06061	2.6
282.05243	1.0
283.06058	0.9
299.09213	1.6
301.07141	1.5
311.09113	39.9
312.09451	1.2
323.09085	2.3
325.10452	0.6
335.09204	0.4
337.06973	0.4
337.10641	3.7
341.10172	33.8
342.10474	0.9
349.11087	0.4
351.12189	4.2
353.10141	0.3
361.10788	0.5
365.10178	24.4
366.10623	1.1
377.10159	4.9
379.11649	0.9
389.10226	4.8
395.11234	14.2
396.11661	0.3
407.11249	10.8
425.12302	11.8
426.12448	0.5
443.13327	8.3
461.14343	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	461.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	0.2
53.03937	0.6
55.01877	0.9
57.03434	0.4
61.02911	0.2
61.36802	0.1
63.02376	0.1
65.03934	0.3
69.03426	0.4
71.59286	0.2
72.79980	0.1
73.02911	0.2
77.03912	0.4
79.05490	1.3
81.03423	1.5
81.40010	0.2
85.02902	2.0
86.09713	0.2
89.03915	1.2
91.04957	0.2
91.05481	2.7
93.03408	0.5
95.01343	0.2
95.04969	1.8
97.02903	1.4
103.03950	0.4
103.05525	0.2
103.86868	0.2
105.03391	0.3
105.04498	0.2
105.07050	0.5
107.04956	100.0
108.05316	0.9
109.02871	1.1
109.06506	0.2
111.04453	0.2
115.05437	0.3
117.03386	1.4
117.06959	0.2
119.04947	1.6
121.02868	1.4
121.06484	1.0
123.04440	0.8
127.03909	0.3
128.06230	0.2
129.07004	0.4
131.04947	1.8
131.05841	0.3
133.06493	0.5
135.04433	3.6
137.05980	4.7
139.03902	0.2
141.06950	0.2
143.04973	0.3
145.02856	2.1
145.03972	0.2
145.06477	0.5
147.04395	1.5
149.05980	1.3
151.03909	1.0
151.07529	0.2
153.01689	0.2
153.05482	0.2
157.06511	0.5
159.04436	0.9
161.06035	1.1
163.03909	17.9
165.01863	0.2
165.05478	2.1
167.07037	0.4
169.06482	0.4
171.04419	0.9
171.08023	0.2
173.02374	0.2
173.05946	0.9
175.03926	3.1
175.07628	0.4
177.05498	1.6
179.06937	0.3
181.04987	1.9
181.06476	0.4
185.06013	0.6
187.03894	1.5
187.07436	0.2
189.05475	2.0
191.03374	1.3
191.07123	0.2
193.04977	1.9
195.02916	0.2
195.06587	0.2
197.06009	0.3
199.03902	0.6
199.07629	0.2
201.05470	0.8
203.03380	0.4
203.07071	0.7
205.04980	3.5
207.06607	0.4
211.04016	0.2
211.06070	0.5
213.05444	1.1
215.03432	0.2
215.06998	0.2
217.04961	5.3
217.08487	0.3
219.02765	0.3
221.04439	1.9
223.06007	4.0
225.05569	0.3
227.07080	0.3
229.04935	1.9
231.06500	2.2
233.04469	0.4
233.08095	0.4
235.05988	3.2
237.05637	0.3
239.07100	0.2
241.04936	0.8
243.06522	0.5
245.04344	0.2
245.07986	1.0
247.06015	1.9
249.07541	0.8
253.04970	0.4
255.06505	0.7
257.04498	0.4
257.08069	0.2
259.06015	6.4
261.07629	0.2
263.09326	0.4
271.05997	1.3
273.07446	0.9
277.07053	4.7
281.07870	0.2
283.06012	1.5
287.05353	0.3
289.07077	2.6
293.08099	0.4
299.09052	0.9
301.07083	3.8
305.08258	0.3
309.07657	0.2
311.09134	1.7
313.07016	0.5
317.10306	1.4
319.08194	1.1
323.09296	0.7
327.08734	1.5
329.10208	7.8
330.10632	0.3
335.09186	0.3
337.09479	0.8
339.08853	0.2
341.06250	0.3
341.10196	3.5
347.09152	0.3
353.10107	0.2
355.07950	0.3
359.08893	0.2
361.10629	0.3
365.10266	2.7
377.10156	1.0
379.11862	0.3
383.11264	13.2
384.11584	0.4
389.10226	0.9
395.11249	11.3
396.11487	0.4
407.11282	5.7
407.15500	0.1
408.11533	0.4
413.12039	0.4
425.12360	3.8
426.12909	0.2
435.15906	0.2
443.13516	2.9
461.13278	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	460.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01841	0.6
55.42238	0.6
58.06583	1.3
61.02938	0.7
67.05510	1.2
69.03417	2.2
69.39456	1.8
69.39881	3.6
70.06548	0.7
73.02895	0.8
73.58784	0.6
79.05462	1.0
81.03398	1.0
81.07034	0.9
83.04989	1.1
85.02905	5.9
91.05477	2.6
93.06432	0.7
93.07045	1.0
95.04942	0.8
95.08584	3.7
97.02885	2.3
97.06516	2.8
99.04404	0.9
104.88715	0.6
105.07022	1.2
109.02856	0.8
109.06472	0.8
111.04472	1.5
119.08566	1.5
121.06503	0.8
123.04465	1.2
123.08064	62.8
124.08361	1.0
127.03912	1.5
131.08553	1.2
135.04433	1.5
135.08012	1.9
137.05994	1.9
137.09647	0.9
139.07565	0.8
145.04964	1.2
147.08073	1.2
147.42491	0.6
159.08076	1.0
159.11734	0.7
163.03949	4.2
163.07516	0.8
165.09111	100.0
166.09470	0.8
171.11668	0.8
173.09682	0.9
179.97081	0.6
180.08588	0.7
185.09552	0.9
187.11104	1.0
197.04634	0.6
199.11169	1.7
203.10652	1.1
205.08646	0.9
215.10741	1.2
215.90826	0.6
217.12167	1.0
227.10620	1.3
233.11754	2.7
245.11807	1.2
263.12784	28.2
264.13107	0.7
281.13770	1.9
352.94345	0.7
368.50873	0.7
460.19281	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.8
55.01872	17.6
57.03438	6.4
58.10729	0.5
61.02928	5.6
68.99793	4.0
69.03429	25.4
70.86397	1.1
70.86743	0.6
71.04994	5.2
73.02920	8.0
78.23330	0.5
81.03418	16.6
83.01345	0.7
85.02905	100.0
87.00296	0.9
87.00828	15.7
91.03949	1.0
91.05484	0.7
97.02891	15.5
98.06046	0.5
99.04456	17.2
101.02396	0.8
103.03960	1.1
103.05460	3.6
103.35590	0.4
105.01860	10.5
105.07040	1.3
107.04959	4.9
108.04486	1.5
109.02879	23.3
111.00802	0.8
115.03969	1.1
115.05383	0.5
117.01859	1.8
120.05768	0.5
126.05537	0.7
127.03914	51.0
129.01834	6.5
131.04906	1.3
133.06516	0.7
135.08040	5.3
139.03912	2.7
145.04959	31.0
147.02885	4.5
154.06247	18.8
158.61993	0.4
159.02896	10.1
163.07542	17.5
171.02913	1.4
177.03912	0.7
180.07806	1.0
183.02927	0.8
189.03900	1.5
195.10168	65.1
196.10522	0.7
207.10176	0.9
213.03934	3.4
219.10202	1.2
231.04996	18.6
248.07704	4.8
249.06059	8.8
257.11679	0.5
266.08774	3.4
285.11160	0.9
303.12201	0.9
454.07724	0.5
468.67542	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.0926
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	7.7
55.01867	3.0
55.05510	3.7
57.03426	1.6
61.02930	4.2
65.03946	0.9
67.05515	3.0
68.99783	5.2
69.03428	30.7
71.01341	1.8
71.05008	3.2
71.59273	0.6
73.02908	1.3
79.05496	1.8
79.50439	0.5
81.03415	100.0
81.07056	1.0
82.03751	1.2
83.01334	0.6
83.04980	12.3
83.08619	0.6
85.02901	13.8
87.00821	6.8
91.05476	2.5
93.03397	1.0
93.07040	0.8
95.01359	0.6
95.04981	3.0
97.02891	11.0
99.04453	4.6
100.11254	2.1
101.02375	0.7
103.03960	0.8
103.05464	1.1
105.01898	1.1
105.07027	1.5
107.04922	2.8
107.08607	0.7
109.02876	61.5
109.10158	0.8
110.03209	0.8
111.04438	20.6
115.03936	1.3
115.05436	1.0
119.04948	1.8
119.08604	0.7
119.49628	0.5
121.02887	0.8
123.04417	4.1
125.02368	2.6
127.02965	1.0
127.03910	18.3
129.01845	4.3
129.05466	2.3
131.04936	1.0
133.06532	1.5
135.04427	2.0
135.11668	0.8
137.02332	1.3
137.06018	2.5
139.03859	3.1
141.05536	0.8
145.04977	2.2
147.02876	1.7
147.04456	1.7
151.03864	3.6
151.07529	1.1
155.03345	0.6
157.04971	2.2
161.06000	3.7
163.03922	2.3
163.07527	0.9
165.05486	2.0
167.07059	1.2
169.04971	1.9
171.02818	0.8
173.04396	0.6
175.06021	1.6
175.07524	0.6
177.05518	1.2
179.07060	0.8
182.15388	1.4
185.04488	1.7
187.06018	0.5
189.05495	2.2
193.04968	1.6
193.08633	1.7
197.04471	0.9
207.06491	1.2
210.14861	1.0
213.03996	3.0
215.05479	1.0
217.04968	1.0
231.04997	2.6
235.06058	1.9
241.03459	1.2
243.04982	1.2
253.07104	1.7
259.04498	15.9
260.04602	0.6
261.06085	3.2
273.06146	1.0
317.06741	1.5
331.09958	0.7
339.07166	3.1
339.11902	1.0
357.08203	2.1
375.09109	0.7
381.08096	1.1
399.09335	1.3
417.10425	1.3
425.07126	10.6
429.08313	0.8
443.08197	31.2
444.08408	1.2
445.89804	0.5
452.33896	0.6
461.09244	3.7
461.33817	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.4
57.03433	0.4
61.02923	1.1
67.05496	0.4
69.03439	1.9
70.06595	0.5
70.31711	0.4
70.32053	1.7
71.04981	0.4
73.02905	0.5
74.06061	0.4
81.03426	0.9
81.07062	0.9
83.04961	0.5
85.02896	5.2
91.05475	1.6
93.07055	0.9
95.04960	0.8
95.08600	3.9
97.02888	1.6
97.06520	1.7
99.04430	0.9
99.94820	0.4
105.07022	0.8
107.04956	0.4
107.08574	0.5
111.04438	0.5
119.04898	0.5
119.08579	0.9
121.06480	1.1
123.04461	0.9
123.08061	56.2
124.08403	0.7
127.03914	0.7
127.45355	0.4
131.08554	0.5
133.06479	0.5
133.10127	0.4
135.04387	1.0
135.08046	0.7
137.05997	2.0
139.07501	0.8
143.08568	0.9
145.02802	0.5
145.04930	0.7
147.08066	1.1
157.10306	0.4
159.08055	1.1
159.11620	0.8
163.03911	3.4
163.07573	1.1
165.09106	100.0
166.09476	1.3
167.07027	0.8
171.11646	0.4
173.09587	0.7
175.11101	0.9
177.09082	0.8
185.09587	0.9
187.07564	0.4
187.11241	1.0
189.05377	0.4
199.11185	2.4
203.10696	1.0
204.07056	0.4
205.08592	0.8
215.10669	0.7
217.12283	0.6
220.68431	0.4
227.10693	1.0
233.11694	2.0
245.11754	1.5
263.12778	26.6
264.13159	0.7
266.04410	0.8
281.13855	2.4
295.72516	0.4
298.07141	1.0
418.20599	0.4
460.18198	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.1812
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52555	0.6
52.78502	0.6
53.03943	6.5
55.01872	7.2
55.05500	0.8
57.03442	5.3
59.82027	0.6
60.04502	1.0
61.02918	4.1
65.03922	0.7
66.29532	0.6
67.08298	0.6
68.99777	3.0
69.03426	44.4
69.97559	0.7
70.67841	2.3
71.04980	4.5
73.02917	6.0
79.05487	2.5
79.23233	0.7
80.04947	0.6
81.03414	29.4
81.07040	0.8
83.01321	1.2
85.02902	71.7
86.17999	0.7
87.00825	26.1
87.04459	1.7
91.03941	2.3
91.05463	2.3
93.03403	0.9
93.07025	1.4
95.08600	1.7
95.76443	0.7
97.02889	29.0
98.06075	0.7
99.04449	11.8
103.05474	5.4
105.01864	27.3
105.07016	2.9
107.04953	8.1
107.08482	0.6
108.03783	1.0
108.04477	8.6
109.02881	24.3
111.04421	1.3
111.08051	0.9
115.03863	1.3
115.05454	1.1
117.01835	2.5
117.07007	0.8
118.20158	0.6
121.10198	0.9
123.08057	0.7
126.05547	3.4
127.03913	65.2
129.01845	3.3
131.04927	1.4
133.06445	0.7
133.10097	1.0
135.08067	5.7
137.05968	2.1
137.09644	0.9
139.03909	3.1
142.16922	0.7
145.04950	24.1
147.02850	1.9
147.04413	1.4
148.05193	0.7
151.07542	1.0
154.06239	32.2
159.02881	16.3
163.03845	1.2
163.07532	28.0
167.07007	2.4
171.02827	1.4
180.07831	1.5
186.07680	0.7
189.03822	0.9
193.08557	0.7
195.10158	100.0
196.10414	1.4
199.82364	0.7
200.12851	0.9
207.10159	0.9
211.16986	1.9
212.05571	0.8
212.17250	2.4
213.03888	3.0
219.10231	0.9
230.06572	2.0
231.04985	42.1
248.07664	6.6
249.06036	2.4
266.08618	2.6
303.12262	1.5
408.62759	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.3104
Annotation	CHEBI:69585
Peak:m/z	Relative Intensity
55.05521	2.6
67.01858	1.5
67.05495	1.3
68.99805	0.5
69.07069	2.3
70.70683	0.4
70.71017	1.0
79.05471	0.5
81.07053	1.1
83.08614	0.8
93.07029	0.7
94.18402	0.3
95.08601	1.0
97.10199	0.5
105.07014	0.4
107.08611	0.5
110.21252	0.4
112.80955	0.3
120.11492	0.3
123.04410	0.3
127.03879	0.4
131.00218	0.4
137.05988	0.5
139.03918	1.0
151.03972	0.4
153.01836	5.4
158.45880	0.3
163.03874	0.4
177.09637	0.3
179.03432	1.9
185.69463	0.4
192.04163	5.8
193.04918	1.8
205.04979	7.5
205.06912	0.4
206.05801	0.5
219.06487	0.5
247.09624	0.4
247.94252	0.3
261.11197	0.4
289.14468	0.7
300.80368	0.4
303.15747	0.5
317.17413	0.6
331.19131	0.6
345.20496	0.5
359.22119	0.5
417.30167	0.4
441.30042	1.5
459.31046	100.0
460.31528	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	459.2225
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.7
55.01865	1.1
55.05493	1.3
57.07069	1.1
61.02917	0.6
65.83083	0.6
67.05490	1.8
69.03419	3.9
69.07056	3.1
71.04990	1.7
71.59677	1.0
73.02907	0.9
79.05482	2.9
81.03406	3.8
81.07062	9.7
83.08591	0.9
84.00873	0.6
85.02902	10.6
86.09689	1.3
87.00831	3.2
91.05453	3.9
93.07041	4.6
95.04970	1.2
95.08604	12.3
97.02874	2.6
99.04433	1.4
99.08099	3.1
105.01878	3.4
105.07026	12.0
107.04950	1.9
107.08593	8.2
109.02866	1.9
109.10119	1.6
113.09643	1.0
117.07008	1.3
119.08575	42.6
121.10105	1.7
123.11671	1.4
125.53390	0.6
127.03909	6.5
131.04861	0.6
131.08572	1.1
133.10129	52.3
134.10460	0.8
135.04431	1.2
135.11691	11.8
137.05969	2.8
137.09557	0.8
141.34705	0.7
145.04964	1.4
145.10120	1.1
147.04393	1.7
147.11678	2.9
159.02892	1.2
160.12466	0.7
163.03925	2.5
173.13280	0.7
175.07588	1.3
175.14819	100.0
176.15144	1.6
193.15891	8.8
211.16911	4.3
231.04965	1.3
254.74762	0.7
280.09738	0.9
297.07471	0.7
459.16949	1.2
459.25171	0.8
462.38135	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2224
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10972	1.1
55.01860	1.3
55.05505	7.7
55.86002	1.0
57.03429	1.4
57.07071	2.7
59.04976	1.2
61.28882	1.0
61.29308	1.0
67.05502	12.7
69.03436	8.4
69.07067	10.8
71.04985	4.1
79.05494	3.2
81.03413	5.0
81.07052	16.7
83.04977	7.9
83.08605	5.6
83.81124	1.2
85.02893	11.7
85.06529	2.7
86.09689	1.2
87.00831	3.7
87.08112	1.1
91.05473	3.8
93.07047	9.0
95.08598	26.2
95.09164	2.1
97.02885	3.4
97.06530	1.5
97.10132	1.3
98.20739	3.0
99.08083	2.8
105.01888	3.2
105.07034	6.7
107.04945	1.2
107.08585	17.3
109.02840	1.9
109.06535	7.4
109.10152	89.4
110.10526	2.1
111.08078	3.2
113.09636	1.3
119.04968	1.5
119.08570	43.1
121.10140	12.6
123.08053	14.4
123.11685	6.2
125.09674	1.5
127.03921	7.1
131.08612	1.9
133.10117	22.5
135.11687	100.0
136.11995	2.0
137.06000	1.1
137.09602	15.8
138.10301	1.0
139.11217	3.2
145.04979	2.5
147.04373	5.1
147.11726	1.5
149.13266	6.4
151.11189	7.9
151.14822	9.8
153.05595	1.1
153.12730	2.3
159.02837	1.2
163.04025	1.2
165.16423	3.2
175.14822	44.7
187.07588	1.3
193.15875	70.6
194.16223	2.4
209.37491	1.0
211.16922	85.8
212.17314	2.6
226.42683	1.1
279.15906	1.3
291.08011	1.1
379.18396	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1834
Annotation	Unknow
Peak:m/z	Relative Intensity
70.95332	0.6
70.95674	0.4
72.08141	0.7
81.07034	0.5
85.02867	0.4
86.09693	0.5
96.99539	0.3
107.04966	0.5
113.02495	0.3
121.06557	0.4
127.76418	0.3
137.05992	0.4
163.03902	0.6
175.11108	0.4
181.04926	0.3
185.04195	1.1
193.12088	0.6
211.13051	4.6
227.05240	1.2
245.06400	0.4
253.14117	0.5
265.12823	0.3
271.04214	0.8
289.05368	0.6
297.07681	0.4
316.58243	0.3
355.17212	1.1
373.18277	7.7
397.18130	3.3
415.19363	20.2
416.19846	0.5
441.17252	3.4
459.18353	100.0
460.18579	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	459.2223
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42198	1.8
55.05499	7.6
62.00937	2.2
67.05488	9.2
69.03429	10.6
69.07062	10.7
70.90959	4.7
70.91316	2.8
71.04985	3.5
75.59171	1.8
79.05463	4.4
81.03397	4.8
81.07059	15.9
83.04955	4.9
83.08598	5.4
85.02897	4.9
87.00813	3.5
91.05465	5.2
93.07037	19.5
94.41763	1.8
95.04922	2.5
95.08604	19.1
97.02847	2.8
97.13976	1.8
99.08047	3.3
100.28638	2.2
103.05455	2.3
105.06990	5.8
107.04936	2.9
107.08594	17.8
109.02838	3.3
109.06497	9.2
109.10152	60.9
111.08076	5.0
117.67839	2.2
119.07786	2.8
119.08573	24.0
121.10119	10.2
123.04414	1.9
123.08073	10.3
123.11724	4.9
127.03928	5.4
133.10114	16.4
133.43980	2.2
135.04402	3.4
135.11693	59.3
137.05966	5.6
137.09610	14.5
145.02800	3.5
145.04901	2.4
147.04347	3.4
149.13228	6.1
151.11131	7.3
151.14830	6.4
151.26302	2.4
163.03906	25.0
165.16400	2.4
175.14828	28.6
191.14328	3.1
192.14529	2.9
193.15918	36.8
211.16927	100.0
269.15503	3.3
331.15430	2.1
415.19119	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	459.1801
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.0
55.05511	1.1
56.96569	1.0
57.07070	0.7
65.03931	0.8
67.05506	13.1
69.55251	1.6
69.55666	3.2
77.09874	0.7
79.05494	3.8
81.07058	11.0
83.08566	0.6
85.51231	0.5
91.05446	3.1
93.07036	5.2
95.04977	5.9
95.08604	1.6
105.07034	2.5
107.04919	0.8
107.08599	12.7
109.06522	7.9
109.10156	100.0
110.10474	0.8
119.04934	1.9
121.10123	0.8
123.08066	1.2
123.11701	7.1
133.10136	4.4
135.11719	2.5
145.02869	0.6
147.04396	6.8
151.11188	12.1
163.03874	1.7
165.07028	0.8
178.07811	2.5
179.08580	3.5
181.06468	0.7
189.06996	3.9
190.07796	1.6
191.08591	1.2
205.06422	0.6
207.08057	11.4
217.06538	0.9
218.07320	1.5
219.07990	2.7
235.07516	11.1
237.09160	0.7
239.02278	3.7
245.05898	1.2
247.07452	3.1
249.05579	1.1
257.03363	4.3
263.07034	25.3
264.07452	1.3
265.08887	0.9
273.05420	1.0
291.06512	38.7
292.06821	2.1
309.07498	2.8
418.11716	1.9
436.12741	4.4
459.27075	1.8
477.18893	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.102
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96554	5.1
58.04514	2.2
59.65209	2.0
69.03408	5.9
70.50665	4.4
70.51075	2.9
71.04961	2.4
73.02921	4.8
76.51195	1.9
85.02892	15.9
86.06071	2.6
97.02884	6.2
98.97575	73.0
110.97540	14.3
112.99142	3.0
116.98612	58.3
119.01888	2.2
127.03863	5.2
128.98587	25.1
131.00139	7.7
133.03514	3.2
134.99652	20.5
135.32990	1.9
143.01880	2.6
145.04950	3.8
146.99638	19.3
149.01202	9.7
152.01627	2.1
153.00688	2.7
158.99643	53.0
161.02966	4.4
163.02744	5.0
165.00705	5.0
170.99612	21.3
171.04968	3.1
173.02979	3.4
177.00702	86.9
189.00706	41.9
189.02336	2.7
191.03984	3.2
193.03848	3.6
195.01793	7.1
200.02422	2.8
201.00676	5.4
207.01729	19.5
219.01732	35.4
219.07117	2.2
223.04892	5.5
230.03407	2.2
231.01733	5.8
235.04796	3.1
237.02852	9.3
245.05193	2.4
245.11349	4.3
249.02818	21.0
251.08611	2.6
255.03775	3.3
261.02869	2.5
265.05878	10.2
272.06580	4.2
273.07916	2.4
279.03867	100.0
281.06998	5.8
288.07864	3.2
291.04089	4.6
297.05011	11.5
297.08429	5.2
302.76874	2.0
303.06509	2.3
309.04935	22.7
310.11813	3.1
320.06314	2.9
321.10233	4.7
323.08191	2.4
399.11456	3.0
452.62265	2.8
459.11398	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	459.1285
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30526	0.4
50.55882	0.5
51.17972	0.5
53.14252	0.4
55.01881	3.0
55.05509	0.6
57.03426	2.3
61.02939	0.9
65.03930	1.7
68.99791	1.1
69.03405	2.0
69.07037	0.5
70.06586	2.3
71.61613	1.1
72.08147	4.0
73.02932	1.0
78.88554	0.4
79.01862	0.5
79.05479	1.9
81.03414	4.2
81.04533	11.0
81.07047	2.0
83.01334	1.0
83.04974	1.4
85.02903	10.8
86.09683	3.2
87.04468	0.6
89.03923	0.5
91.05483	3.0
93.03405	8.7
93.07032	1.3
95.01319	0.9
95.04950	2.8
97.02890	2.8
103.03928	3.3
103.05455	1.7
105.03363	1.0
105.07012	1.1
107.01311	0.8
107.04948	3.8
107.08568	1.0
109.02882	6.9
109.04018	1.6
109.06505	3.7
110.64370	0.5
110.75004	0.4
111.00809	1.3
111.04432	3.3
115.05425	0.9
117.03358	0.6
117.07020	1.1
119.04943	5.1
121.02868	7.5
121.06481	1.7
123.04423	4.1
125.02374	0.6
127.03921	2.0
127.05024	7.9
129.07037	0.7
131.04913	2.4
133.02826	0.8
133.05000	0.6
133.06465	2.7
135.00829	0.5
135.04436	4.3
137.02362	0.7
137.05984	5.5
139.03923	3.3
139.23238	0.5
143.04927	0.9
145.02858	1.1
145.06461	1.3
147.04391	8.3
148.06096	0.7
149.02336	3.6
149.05972	1.8
151.03885	2.5
153.01802	2.4
153.12758	1.1
159.04373	3.2
161.02318	1.7
161.05981	3.4
162.03099	0.6
163.03914	6.7
165.01860	1.0
165.05493	1.6
165.09058	1.6
171.04405	1.5
171.14931	0.5
173.02341	1.9
173.06003	0.9
175.00243	2.2
175.03940	2.5
177.01859	4.5
177.05466	5.1
179.03369	0.7
179.07036	0.5
181.04951	0.9
185.16493	0.8
186.77055	0.6
187.03888	6.2
189.01813	7.3
189.05452	1.7
191.03418	7.2
193.01268	1.5
194.02188	0.5
195.02893	12.7
201.01692	0.7
201.05521	1.5
203.03368	1.6
205.01324	3.9
205.04938	5.2
207.02887	17.5
208.03041	1.0
209.04465	2.3
211.03954	0.6
213.05386	0.6
213.16066	0.6
215.03372	3.5
217.01387	0.9
217.04921	1.3
217.11847	0.6
219.02884	64.3
220.03195	0.7
221.04471	1.5
223.02373	10.5
225.03949	23.7
227.03387	1.0
228.04149	0.7
229.04965	3.4
231.02881	1.8
233.02094	1.1
233.04454	21.0
235.02328	1.2
237.03912	1.8
243.02867	2.4
245.04483	2.8
247.06007	3.4
247.12897	1.5
249.03938	5.0
251.05466	3.0
253.08118	4.2
257.04535	4.0
259.02319	1.3
261.03940	100.0
262.04388	2.2
265.07147	0.7
271.09232	4.6
273.03925	15.0
275.05396	3.1
279.06586	1.0
285.03952	11.9
289.10379	1.4
291.04996	11.7
297.07544	2.1
303.04990	27.5
304.05399	0.8
309.07504	4.2
312.22394	0.6
315.08508	1.3
321.06033	19.2
325.07022	3.0
327.08627	23.3
328.08850	0.6
339.08054	27.9
351.08395	0.7
363.08475	0.9
381.09695	20.7
393.09668	17.0
405.09726	6.9
411.10876	1.3
423.10764	8.0
423.21295	0.8
441.11990	7.6
441.21835	2.4
459.12613	8.0
459.18970	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	457.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	1.3
55.01852	2.3
55.05492	1.2
57.03415	0.8
67.05489	1.9
69.03429	10.2
69.07068	11.4
69.89793	3.9
70.06582	2.0
73.02900	1.8
79.05470	2.3
81.03415	4.8
81.07050	3.4
83.04963	1.7
85.02905	7.6
87.00849	4.0
91.05474	4.3
93.07042	8.7
95.04920	1.1
95.08593	3.5
97.02872	3.7
97.06508	2.0
98.20690	0.7
98.97581	0.9
99.04412	1.3
105.01887	1.8
105.07021	3.4
106.76082	0.7
107.08584	10.7
109.02851	2.7
109.06479	2.1
109.10135	1.6
111.08101	1.1
115.05455	1.0
117.06998	1.1
119.08556	3.4
121.01419	0.8
121.06495	12.4
121.10143	10.1
123.08060	1.9
123.11738	1.3
125.09613	3.1
127.03909	4.2
129.05441	0.7
131.08548	4.6
133.10130	5.7
135.04358	1.3
135.08043	6.9
135.11655	2.9
143.08604	0.7
145.02783	1.5
145.04890	2.0
145.10150	1.8
147.04372	1.7
147.11681	24.4
149.09666	5.3
149.13242	6.6
153.09067	1.4
157.09943	0.9
158.10863	1.7
159.02869	1.7
161.09598	3.3
163.03926	8.4
163.11185	1.3
163.14853	2.6
173.13271	9.0
173.14702	1.1
176.11966	1.4
191.14296	100.0
192.14575	1.3
209.15349	21.7
209.86243	0.8
220.82568	0.8
327.57748	0.8
337.32944	0.7
418.86188	0.9
457.14926	1.8
457.23798	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	457.207
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.0
55.05501	1.1
57.03439	1.0
57.04638	0.8
57.07056	1.2
64.34373	0.8
65.03916	1.0
67.05520	2.0
69.03434	8.0
69.07069	1.6
69.39852	2.8
69.40276	4.8
70.06593	2.0
71.04971	1.4
79.05516	4.6
81.03400	2.5
81.07066	5.7
83.04977	1.1
83.08622	1.4
85.02905	5.5
86.09732	0.7
87.00809	2.1
87.32226	0.9
89.44350	0.9
91.05486	4.8
93.07032	3.1
95.04954	1.1
95.08601	2.1
97.02872	1.6
99.04440	1.2
102.47019	0.9
105.07022	6.5
107.04936	3.3
107.08595	15.9
109.02869	2.6
109.06506	2.8
109.10141	4.7
115.05487	0.8
117.07045	2.3
119.04963	2.1
119.08583	3.1
121.06490	2.1
121.10142	9.2
122.07265	3.4
123.08052	1.2
127.03909	4.7
131.08569	4.3
133.10130	100.0
134.10480	1.9
135.08064	9.2
135.11702	1.0
137.09619	49.2
145.10130	1.5
147.04431	4.8
147.11659	2.0
148.04718	2.2
149.05025	1.4
149.09605	2.4
149.13292	9.8
151.11282	0.7
158.10898	1.2
163.03862	1.4
163.14832	2.3
165.12822	0.9
173.13251	9.0
191.14307	57.5
192.14668	1.4
209.15369	5.5
302.05145	0.9
333.34500	1.0
439.19345	1.0
457.14526	0.9
457.23917	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	457.1679
Annotation	Unknow
Peak:m/z	Relative Intensity
57.53075	0.5
58.79094	0.4
60.04502	0.4
60.60949	0.4
69.03404	0.5
70.06584	0.7
71.04983	0.8
71.59032	0.8
85.02907	1.1
91.05484	0.6
91.37250	0.4
93.07043	0.8
97.02905	0.5
105.07021	0.8
107.08604	0.8
109.01569	0.4
109.06500	0.5
116.83556	0.4
119.04971	0.8
121.10123	0.5
133.10150	1.1
147.04428	1.9
147.24498	0.4
148.04771	1.0
151.11266	0.7
163.03940	1.4
172.14316	0.5
173.13382	0.6
191.10414	5.1
191.14407	0.7
203.05264	1.4
209.11526	0.6
227.05241	0.9
237.02686	0.5
245.06300	5.5
271.04391	0.9
289.05298	41.7
313.31726	0.5
335.12161	0.5
353.15643	0.5
371.16684	0.8
413.17828	9.6
435.63452	0.5
439.15787	0.6
457.16833	100.0
457.23535	6.3
458.16840	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	457.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.0
55.01863	1.2
55.05502	0.6
57.03442	1.4
61.02916	1.0
61.63116	0.3
65.03943	0.4
66.89156	0.2
67.05506	1.8
69.03429	4.4
69.07050	1.1
71.04994	3.2
71.62294	0.3
73.02908	0.8
79.05477	0.8
81.03417	3.9
81.07063	0.7
83.04977	0.4
85.02906	12.9
85.06565	1.4
86.03227	0.7
87.00826	4.2
87.03336	0.3
87.04453	0.3
89.03936	0.3
91.05474	3.1
93.07053	2.1
95.04986	0.5
95.08605	18.4
96.08975	0.3
97.02880	4.2
97.06528	4.5
98.97584	0.5
99.04424	1.4
99.08084	0.9
105.01864	4.2
105.06379	0.5
105.07027	5.6
107.04957	0.4
107.08591	3.1
109.02892	4.3
109.06494	0.4
109.10149	0.9
111.04436	0.3
115.05442	0.6
115.07552	0.8
116.98680	0.4
117.01855	0.4
117.06998	0.7
118.07801	0.3
119.04932	1.3
119.08579	2.9
119.53137	0.3
120.05277	0.5
121.10153	3.6
123.08062	0.6
123.11713	0.8
127.03912	6.9
129.05467	0.4
131.08566	4.3
133.10127	100.0
134.10443	1.2
135.04388	0.4
135.08067	1.2
135.11681	0.9
143.08585	1.7
145.02834	0.3
145.04941	2.8
145.10146	2.2
147.02905	0.4
147.03110	0.4
147.04390	3.8
147.11673	1.1
148.04736	2.2
149.04929	1.3
149.06055	0.3
149.09608	1.4
149.13243	1.7
151.11176	1.8
158.10899	2.9
159.02872	1.8
159.07956	0.4
163.03896	3.7
163.14830	3.0
171.11670	0.5
173.13260	26.6
191.14304	18.1
201.03935	0.3
209.15396	5.2
213.03903	0.4
231.04924	1.3
315.13477	0.8
316.13788	1.8
317.14075	0.3
365.90985	0.3
413.17859	0.8
457.14807	3.1
457.24258	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	457.1681
Annotation	Unknow
Peak:m/z	Relative Intensity
69.92183	0.3
70.06578	0.4
71.04984	1.1
71.62246	0.4
72.05347	0.3
81.03153	0.4
81.07048	0.6
85.02892	1.2
86.09706	0.4
86.28249	0.3
91.05484	0.4
93.07037	0.4
107.08582	0.6
133.10123	0.9
147.04384	1.6
148.04662	0.7
149.04979	0.5
163.03934	1.5
191.10396	4.8
191.14182	0.4
194.17403	0.4
203.05312	1.8
209.11511	0.7
227.05301	0.6
245.06285	4.8
271.04401	0.6
289.05289	39.9
290.05688	0.6
371.16736	1.4
395.17017	0.4
413.17816	7.9
439.15671	0.7
457.16806	100.0
458.16763	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1106
Annotation	FMN
Peak:m/z	Relative Intensity
52.50986	1.0
54.95505	1.0
54.98547	1.2
56.96563	1.7
57.06208	1.2
71.60012	1.7
71.60384	1.5
85.02895	2.6
98.97590	2.1
116.98614	1.3
121.06477	1.3
131.00172	2.2
147.59943	1.1
149.01172	2.3
161.03032	1.5
177.02220	1.1
177.28842	1.2
219.07022	1.3
223.04987	1.6
233.06882	1.4
234.62811	1.4
263.05899	1.8
321.04733	3.2
323.10117	8.3
335.24271	1.1
341.11240	1.5
457.11087	100.0
458.11429	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	457.1106
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18596	1.8
56.96567	16.0
57.03437	2.4
61.02919	2.0
69.03421	3.0
71.60707	3.2
73.02904	6.8
75.14855	2.2
81.03425	2.2
81.04518	2.2
82.20964	2.1
84.96031	4.6
85.02887	7.6
87.85459	1.8
91.05496	2.2
95.04940	2.0
97.02859	5.7
98.97568	16.6
107.04967	11.5
107.08556	2.3
109.01380	2.0
110.97553	4.0
116.98621	19.1
127.03901	2.1
128.98613	10.8
131.00104	2.3
131.04944	2.7
134.99661	11.8
137.05931	3.0
138.09175	1.9
143.00124	4.8
145.01602	2.6
145.04941	2.4
146.99660	17.1
149.01189	4.1
152.98521	1.8
158.99617	5.5
161.01215	14.5
162.99159	2.9
163.03932	4.0
165.00720	3.5
170.99632	5.4
177.00745	13.2
179.02293	4.7
189.00749	11.2
192.08833	1.9
195.01585	2.5
201.00835	3.2
203.02190	4.1
205.52678	2.1
207.01634	2.6
211.17574	2.0
219.01736	16.1
237.00482	2.6
237.02824	39.7
244.08598	2.1
255.03894	5.5
276.99503	2.4
307.04950	3.2
325.05899	21.1
343.06937	8.0
351.05795	11.3
369.06708	3.1
411.72513	2.2
457.10904	100.0
458.11407	4.4
475.11484	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	455.217
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	2.6
55.05513	17.0
57.03441	13.4
57.22419	1.4
65.03929	2.3
67.05506	58.4
67.33733	1.3
69.07072	14.9
71.04997	3.4
71.60396	3.3
79.05498	30.3
81.07056	51.1
81.07521	2.9
83.04967	2.0
83.08613	3.9
86.89353	1.6
91.05482	15.9
93.07041	32.8
95.04975	2.6
95.08609	44.0
105.07028	8.2
107.08572	16.2
109.10152	16.0
117.06977	2.9
119.08597	7.8
120.96638	77.8
121.10145	13.1
126.30537	1.7
131.08540	2.6
131.56398	1.6
133.10143	4.3
135.11716	6.6
137.13216	1.5
145.10155	2.6
147.04434	5.5
147.11711	3.8
156.97501	6.4
161.13264	1.7
161.99297	3.9
162.37886	1.5
174.98521	16.0
195.00458	8.3
198.00151	1.5
213.00090	17.0
231.01077	3.2
236.01686	3.3
301.20010	2.4
319.21255	4.5
335.25790	100.0
336.26282	2.0
337.22302	1.8
357.23990	51.0
381.16959	1.9
437.19586	3.3
455.21548	87.7
456.21646	2.6
472.88675	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50555	1.3
56.96565	31.1
63.29553	1.5
65.18523	1.6
65.37342	1.3
67.05502	3.5
69.26962	1.5
69.27299	18.1
79.05500	4.6
81.07057	3.2
91.05476	6.5
93.07035	6.6
95.08628	3.4
98.21539	3.2
98.97580	26.3
104.45183	1.7
107.08581	14.3
109.10142	7.7
116.98617	37.4
119.04940	5.0
134.99652	50.8
135.11707	5.0
140.00227	2.5
147.04411	36.4
147.05516	3.4
148.04749	2.5
150.78754	1.6
153.00696	17.2
158.01259	9.4
169.01686	1.8
176.02296	2.1
190.70320	1.6
195.03268	4.0
201.47542	1.4
203.00258	2.8
209.01295	4.4
209.76547	1.8
211.02803	7.0
213.04321	15.5
221.01234	3.8
232.69312	1.6
234.04547	1.6
239.02257	58.0
256.30701	1.5
257.03336	93.9
258.03708	2.4
262.03882	11.3
263.02213	4.3
269.10706	6.7
280.05020	9.3
281.03278	6.0
285.05676	1.9
287.11761	8.1
292.12274	1.6
299.04471	5.7
373.13132	6.6
391.13983	7.4
396.15005	3.9
397.13330	3.6
415.14218	48.2
416.14615	3.1
433.15332	100.0
434.15588	5.5
438.15903	2.5
451.16479	2.5
456.16916	34.6
457.17160	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	455.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.2
55.05499	0.8
57.03448	1.2
59.04986	0.2
61.02937	0.2
65.03925	1.1
67.05491	0.3
69.03422	1.7
69.07040	0.3
69.74274	0.6
69.74696	0.8
70.06584	0.4
71.01314	0.3
71.04992	7.8
73.02915	0.3
75.04470	0.5
76.47971	0.2
79.05476	0.3
81.03420	2.1
81.07066	0.2
83.04976	1.5
85.02902	11.1
86.09712	0.3
87.04456	0.4
91.05476	11.4
93.07053	0.4
95.04962	0.5
95.08625	0.3
97.02908	1.1
97.03434	0.2
97.77001	0.2
98.21476	0.3
99.04433	0.5
100.11237	0.2
107.04958	1.1
107.08567	0.4
109.02860	0.7
109.10136	0.4
111.04456	1.5
119.04940	25.0
119.08573	0.3
120.05292	0.4
127.03916	0.9
129.05490	2.3
135.04395	0.4
137.02386	0.3
137.05910	0.3
145.10124	0.3
147.04404	100.0
148.04741	1.2
149.06000	0.3
163.03966	1.0
165.05499	1.6
193.04979	0.3
207.06508	0.3
221.50500	0.2
227.17549	0.2
237.07341	0.3
243.05101	0.3
249.07645	0.3
281.90451	0.2
285.49005	0.2
291.08612	1.0
293.10223	0.7
304.33307	0.2
307.29568	0.2
309.09576	1.0
385.92316	0.2
437.14386	0.3
455.14725	1.1
455.21204	1.0
477.03430	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.4413
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23202	0.7
54.16628	0.5
55.05500	1.2
57.07073	12.9
58.06598	1.0
65.02412	0.6
67.05491	2.0
69.07047	1.9
70.06592	11.2
71.08630	7.0
71.44792	1.4
73.02909	1.6
81.07056	2.3
83.08608	1.5
85.10191	2.9
87.27827	0.6
88.07625	17.3
95.08594	3.4
98.26127	0.5
98.78806	0.6
102.09184	12.8
106.08718	0.7
109.10120	1.0
109.38129	0.5
156.17513	0.7
200.20088	53.5
218.21220	4.2
280.81888	0.7
283.26309	48.5
284.26648	1.8
450.95251	0.6
452.07321	0.6
454.18442	0.6
456.44098	100.0
457.44250	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	455.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15087	0.3
53.03933	0.6
55.05497	0.6
57.03434	4.6
59.04984	0.5
65.03931	0.6
69.03413	1.0
70.18778	1.2
71.01373	0.5
71.04990	35.7
71.40137	0.4
73.02911	0.4
75.04476	1.7
79.55801	0.4
81.03417	0.9
83.04972	2.2
85.02900	41.6
87.04475	0.9
90.73774	0.4
91.05479	8.1
97.02882	0.9
99.04459	0.8
107.04934	1.3
109.02854	0.6
111.04440	1.5
119.04936	19.8
127.03912	1.3
129.05472	11.7
147.04402	100.0
148.04781	0.9
165.05548	0.7
213.05093	0.4
275.09183	1.1
293.10107	0.9
309.09668	2.2
427.44479	0.4
455.15237	1.5
455.22067	0.7
456.14453	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.1
57.03436	6.9
67.66343	0.6
70.91883	1.5
70.92219	0.9
71.04992	52.8
73.02900	0.7
75.04452	1.4
78.54903	0.7
81.03444	0.7
83.04975	1.8
83.88484	0.7
85.02901	58.6
86.77762	0.7
87.04465	1.9
91.05477	6.1
95.21664	0.7
97.02823	0.7
107.04956	1.4
111.04487	1.4
114.16598	0.7
118.69321	0.9
119.04933	15.5
127.03896	1.0
129.05479	18.9
147.04405	100.0
147.06441	3.5
165.05455	1.0
283.18616	0.7
293.10315	0.9
309.09637	3.1
455.22104	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.5
55.01847	0.4
55.05523	0.4
57.03436	3.6
59.04978	0.4
60.12011	0.2
65.03947	0.8
69.03438	1.5
69.07049	0.7
69.62943	1.5
70.38061	0.2
71.01356	0.3
71.04990	22.3
73.02907	0.3
75.04473	1.0
79.99666	0.2
81.03407	1.1
83.04969	2.2
85.02901	27.9
87.04470	1.0
91.05478	8.6
94.63322	0.3
95.04987	0.4
97.02886	1.1
98.20708	0.3
99.04442	0.7
101.52231	0.2
107.04945	1.3
109.02909	0.7
111.04446	1.1
115.41853	0.2
119.04940	20.6
123.04475	0.3
127.03906	1.3
129.05475	6.5
131.38939	0.2
137.05966	0.5
145.04900	0.3
147.04404	100.0
148.04739	1.3
148.59384	0.3
165.05508	1.3
169.04921	0.3
189.12833	0.3
249.39493	0.3
250.58707	0.3
275.08893	0.5
291.08667	0.8
293.10013	1.3
303.89236	0.3
309.09702	3.3
455.15558	2.0
455.21619	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78508	0.1
53.03925	0.2
55.05511	0.3
57.03436	1.4
65.03933	1.2
67.05499	0.3
68.92360	0.2
69.03429	1.4
69.07075	0.9
69.90929	1.1
71.01368	0.4
71.04994	6.2
73.02902	0.5
75.04463	0.4
79.05502	0.2
81.03423	1.2
81.07077	0.2
83.04987	1.8
85.02905	9.0
85.06550	0.2
86.09734	0.2
87.04464	0.3
90.11087	0.2
91.05482	9.7
92.05798	0.2
95.04984	0.4
95.08595	0.2
97.02898	0.9
98.20718	0.3
99.04458	0.6
104.43176	0.2
105.07028	0.2
107.04926	1.0
109.02892	1.0
111.04466	1.7
115.03939	0.2
119.04943	23.9
122.00668	0.2
123.04455	0.2
127.03893	1.7
129.05481	2.2
135.04315	0.2
137.06067	0.2
144.53847	0.2
145.04906	0.3
145.06561	0.2
147.04408	100.0
148.04767	1.2
151.03917	0.2
153.05458	0.3
157.20221	0.2
163.03932	0.3
163.11269	0.2
165.05466	0.7
169.04950	0.3
173.04459	0.2
207.06532	0.4
237.07565	0.6
255.08650	0.3
273.04053	0.2
275.20050	0.4
293.10165	1.2
309.09641	0.9
374.21191	0.2
437.14471	0.4
455.14981	0.4
455.26688	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1523
Annotation	TyrMe-His-OH
Peak:m/z	Relative Intensity
56.96557	0.3
69.03423	0.7
69.94637	1.2
70.03691	0.2
71.04990	0.7
73.02885	0.4
83.06089	0.3
85.02912	1.9
86.03220	0.3
87.00860	0.4
91.05489	0.5
93.07040	0.5
94.78995	0.2
95.05010	0.3
95.08613	0.3
97.02886	0.7
98.97532	0.2
105.01868	0.9
107.04951	0.5
107.08578	0.8
108.08913	0.2
109.02869	0.4
109.10123	0.3
110.10459	0.3
110.86955	0.2
116.98621	0.2
121.06532	0.6
121.51439	0.2
123.04467	0.2
127.03922	0.5
135.11703	1.1
136.07608	0.3
136.11992	1.4
136.25916	0.2
139.03891	0.4
147.04419	0.4
149.01208	0.3
153.12703	0.7
154.13074	0.9
161.01367	0.3
163.03893	0.4
229.28549	0.2
237.02843	0.7
242.59897	0.2
250.06441	0.3
257.04446	0.8
295.36597	0.2
317.41324	0.2
323.10980	1.9
379.08789	0.3
455.15244	100.0
456.15536	2.5
472.61890	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83496	0.6
55.01879	0.6
55.05490	1.7
57.03436	5.9
65.03938	1.1
67.05498	1.5
69.03063	0.6
69.03423	1.9
70.06580	1.4
71.04992	40.9
71.62835	0.9
73.02892	0.7
75.04464	1.6
79.05479	0.8
81.03399	1.9
81.07037	2.2
83.04963	1.8
84.04458	0.6
85.02901	43.1
85.06544	0.7
86.09710	1.8
87.04423	0.8
89.03877	0.6
91.05480	9.0
93.07038	2.6
95.04971	1.1
95.08609	1.3
97.02877	1.8
97.06519	0.8
105.07002	1.4
107.04930	2.1
107.08604	1.1
109.02884	1.2
109.06500	0.7
109.10136	1.7
111.04443	1.3
119.04943	17.8
119.08542	1.0
121.10149	1.3
123.08073	0.9
127.03919	2.2
129.05478	13.6
130.08658	1.6
131.08588	0.7
133.06494	0.9
133.10152	0.8
135.04451	0.7
135.11655	0.8
135.59163	0.5
137.05983	1.4
143.04883	0.9
145.10129	0.7
147.04404	100.0
147.06418	2.5
148.04765	1.5
163.03835	1.6
165.05475	1.6
177.05553	1.0
187.07527	0.6
193.82616	0.6
207.10367	0.6
207.13805	4.0
254.66481	0.6
275.20160	0.7
293.10147	1.0
293.21341	0.6
306.25568	0.6
309.09683	2.8
409.17615	0.6
417.02133	0.8
455.20352	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.3
55.05505	0.4
57.03423	1.1
57.03672	0.3
58.72566	0.3
61.02942	0.2
65.03931	0.9
67.05511	0.3
69.03427	1.9
69.57942	1.1
69.58367	0.6
70.06580	0.2
71.04993	5.4
73.21864	0.2
81.03417	1.3
83.04978	1.0
85.02901	8.6
86.09711	0.3
91.05482	9.5
95.04974	0.3
95.08578	0.3
97.02892	0.9
98.21468	0.5
99.04433	0.7
107.04951	1.1
109.02857	0.8
109.06524	0.2
109.10128	0.3
111.04454	1.1
119.04944	21.7
127.03918	1.5
129.05489	1.8
131.08601	0.3
143.04848	0.3
145.04918	0.3
147.04405	100.0
148.04732	1.7
149.05930	0.3
163.03951	0.2
165.05493	0.8
169.04921	0.4
171.04366	0.5
177.05400	0.3
181.04970	0.3
185.05898	0.4
189.05470	0.8
189.12816	0.3
213.05505	0.4
237.07486	0.4
275.09113	0.4
275.19992	0.3
291.08640	0.8
293.10117	1.8
309.09628	1.0
393.22635	0.3
455.15158	0.5
455.22559	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88057	0.2
53.03931	0.5
55.01876	0.3
55.05511	0.4
57.03428	1.2
59.04983	0.3
65.03931	1.2
67.05470	0.3
69.03426	1.0
69.48962	0.3
69.94836	1.0
69.95245	0.5
71.04992	7.2
73.02895	0.3
75.04461	0.4
81.03418	1.5
81.07066	0.4
83.04964	1.0
85.02905	9.4
87.04471	0.4
90.50156	0.3
91.05482	10.0
93.07037	0.3
95.04966	0.4
95.08572	0.3
97.02876	1.2
102.38348	0.2
107.04951	0.6
107.08573	0.4
109.02866	0.8
111.04456	0.9
117.03383	0.4
119.04942	24.3
121.36380	0.3
127.03918	1.0
128.85028	0.3
129.05498	2.6
137.05943	0.3
145.02791	1.0
147.04408	100.0
148.04752	1.2
163.03853	0.5
165.05513	0.7
177.05475	1.2
249.07590	0.3
291.08588	1.5
293.10236	0.5
309.09805	0.5
384.94250	0.3
455.21143	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1523
Annotation	TyrMe-His-OH
Peak:m/z	Relative Intensity
56.96557	0.3
69.03423	0.7
69.94637	1.2
70.03691	0.2
71.04990	0.7
73.02885	0.4
83.06089	0.3
85.02912	1.9
86.03220	0.3
87.00860	0.4
91.05489	0.5
93.07040	0.5
94.78995	0.2
95.05010	0.3
95.08613	0.3
97.02886	0.7
98.97532	0.2
105.01868	0.9
107.04951	0.5
107.08578	0.8
108.08913	0.2
109.02869	0.4
109.10123	0.3
110.10459	0.3
110.86955	0.2
116.98621	0.2
121.06532	0.6
121.51439	0.2
123.04467	0.2
127.03922	0.5
135.11703	1.1
136.07608	0.3
136.11992	1.4
136.25916	0.2
139.03891	0.4
147.04419	0.4
149.01208	0.3
153.12703	0.7
154.13074	0.9
161.01367	0.3
163.03893	0.4
229.28549	0.2
237.02843	0.7
242.59897	0.2
250.06441	0.3
257.04446	0.8
295.36597	0.2
317.41324	0.2
323.10980	1.9
379.08789	0.3
455.15244	100.0
456.15536	2.5
472.61890	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.0951
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58426	1.3
56.96558	2.1
69.03430	1.7
71.04996	2.0
71.59412	2.0
85.02917	2.9
91.05502	1.9
92.30473	1.5
97.02893	1.7
98.97590	3.0
106.26035	1.5
116.98604	2.9
119.01933	3.1
121.79900	1.6
131.00186	3.9
133.03464	2.2
143.01941	1.8
146.99638	2.0
149.01218	3.9
150.25172	1.3
161.02997	4.5
163.03937	5.0
166.63647	1.5
167.48381	1.7
169.03391	2.0
173.02867	2.0
179.10593	1.5
191.02306	2.6
197.02898	2.2
203.02261	1.7
219.01561	1.6
219.07153	2.0
231.07103	2.3
245.04991	3.6
263.06158	3.4
275.06104	6.5
317.07681	1.6
321.10263	9.4
355.08893	1.9
379.08200	2.0
423.06879	23.5
455.11749	100.0
456.11630	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	455.1152
Annotation	Unknow
Peak:m/z	Relative Intensity
59.49252	0.6
60.52649	0.8
65.47234	0.6
80.55107	0.6
88.67234	0.6
98.21512	1.8
112.89603	7.7
119.01910	4.0
131.01901	1.6
137.70399	0.8
138.98602	0.7
143.01909	2.3
145.03479	0.9
161.02946	10.5
169.03404	3.2
171.05048	2.0
173.03029	1.5
187.04539	2.7
191.04024	1.0
197.02914	1.3
203.03978	3.2
215.03951	3.1
221.05260	0.9
221.96837	0.6
263.06079	8.1
275.06122	16.8
287.06207	0.9
293.07162	2.4
305.07217	1.5
306.85156	0.6
335.08078	1.2
445.42255	0.9
455.11609	100.0
456.11920	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	455.1249
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69561	1.8
56.96562	9.3
57.03428	5.7
61.02914	3.4
69.03416	7.7
70.06575	2.2
70.10040	4.6
70.10473	6.4
71.04984	5.9
73.02911	7.0
79.23327	1.9
81.03397	3.0
84.96058	2.6
85.02907	15.6
89.03935	2.4
91.05480	3.5
93.07001	2.1
97.02907	11.6
98.97572	16.0
107.04941	6.1
109.02863	2.4
110.97541	3.1
112.99133	3.9
116.98605	13.7
117.03333	1.9
119.01900	7.3
119.04929	5.3
120.29817	1.8
121.06525	2.9
123.04403	3.1
127.03919	5.3
128.98595	6.6
131.00156	14.7
131.01903	5.3
133.03450	7.8
134.99629	6.8
136.06104	2.7
137.02948	3.5
137.05965	5.9
139.03932	2.5
143.00163	3.8
143.01875	5.0
145.03465	4.2
145.04982	2.8
146.99678	9.2
147.04373	2.1
149.01199	16.7
149.07497	2.3
151.04485	2.8
151.07523	4.7
155.01846	4.3
157.03494	2.5
158.99651	5.1
159.05009	2.2
161.01199	7.0
161.02959	19.0
163.02679	3.1
163.03851	13.5
167.02267	6.1
169.03419	3.5
170.99620	4.3
171.05038	4.2
172.95114	2.1
173.01242	5.8
173.02960	9.1
175.02737	4.2
177.00774	9.9
178.05014	2.6
179.02264	2.8
185.01254	2.1
185.02916	4.2
187.04501	7.1
189.00720	5.1
191.02267	11.2
191.03897	3.6
193.03813	2.4
197.02930	5.2
197.06358	2.0
199.04391	2.1
201.00780	2.4
201.06046	2.3
203.02150	3.1
203.03979	6.3
205.03697	1.9
211.04646	2.6
215.03989	3.6
216.99873	2.0
219.01727	11.8
219.07079	9.0
221.05055	4.7
231.06963	12.5
233.03307	4.1
237.02768	20.6
243.06966	2.6
245.05156	9.6
249.08376	3.3
255.07088	2.0
257.04510	10.8
258.04874	2.7
261.05902	2.8
263.06088	13.3
273.08047	4.9
275.06091	19.4
279.03860	3.5
281.05130	2.5
282.08612	2.1
287.06049	4.3
293.05154	2.4
311.06458	2.7
321.10406	35.9
322.10535	2.4
323.10385	2.8
337.08023	6.1
339.11581	2.1
355.09061	6.4
379.08429	4.1
423.06885	23.7
455.11557	100.0
456.11600	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	454.2926
Annotation	LysoPE(0:0/16:0)
Peak:m/z	Relative Intensity
55.05495	2.1
57.03432	2.9
57.07074	21.6
62.06086	27.1
67.05493	3.4
69.07063	3.7
70.06575	0.5
71.08626	12.4
81.07044	5.8
83.08613	4.5
85.10175	7.5
89.06009	1.0
93.07001	0.9
95.08603	6.0
97.10143	1.9
98.21492	1.7
98.98462	4.9
99.11715	0.6
103.07525	0.6
105.50704	0.6
107.08566	0.5
108.33990	0.5
109.10137	3.5
119.87421	0.5
123.11707	1.4
124.01616	0.8
137.13289	0.6
142.02657	1.3
144.21211	0.6
154.05145	0.5
155.01030	6.2
173.02020	0.6
181.06404	0.7
198.05246	1.0
216.06335	2.9
239.23607	1.9
245.60007	0.5
256.26321	1.0
257.24677	0.6
282.27887	12.6
284.19751	0.6
313.27347	100.0
314.27872	2.9
393.24081	7.0
436.28189	5.4
454.29285	2.1
478.85522	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.0
55.05500	1.5
57.03421	0.6
59.04988	3.0
59.05506	0.7
67.05490	3.5
69.03405	2.3
69.07040	3.0
70.06567	1.9
71.04999	7.3
71.58640	1.1
72.08143	1.9
73.02946	0.8
79.05472	2.1
81.03419	0.9
81.07054	7.9
83.08632	0.9
85.02899	6.9
86.06059	1.4
87.00835	2.2
87.04457	1.7
88.07594	0.9
91.05474	3.7
93.07047	30.7
95.04980	1.1
95.08605	23.6
97.02879	2.4
97.06530	4.7
104.07106	5.4
105.01855	3.3
105.07006	0.8
107.08596	27.9
109.02908	1.3
109.10149	11.9
111.08112	1.0
114.69868	0.8
119.08564	1.3
121.06569	1.1
123.04440	1.0
127.03902	2.8
133.10144	1.1
135.11690	100.0
145.04930	2.4
147.04346	2.0
153.12743	96.7
154.13060	1.0
163.03882	2.1
163.05956	1.7
164.04218	0.9
175.11124	1.0
180.08751	0.8
185.23077	0.8
239.12772	15.2
253.04135	0.9
257.13858	14.8
386.35861	0.8
454.22574	1.1
454.28387	1.6
455.15305	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	454.2108
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.5
55.05527	2.4
57.03437	3.5
57.07084	6.4
59.04989	1.5
67.05498	8.4
69.03414	2.3
69.07069	16.7
69.72009	2.7
69.72408	8.3
70.06590	2.1
71.04991	3.4
76.02264	1.4
79.05495	24.2
81.03423	1.5
81.07056	7.4
83.04969	1.6
83.08607	7.0
85.02900	11.9
86.03214	1.5
88.03994	2.2
91.05476	6.3
93.07046	49.8
94.07388	1.3
95.04972	3.4
95.08611	14.3
97.02916	2.1
97.06520	9.0
98.20820	2.1
105.00119	2.1
105.07031	2.9
107.04967	3.4
107.08593	54.5
109.02925	1.4
109.10162	16.6
119.08585	1.8
119.69252	1.1
122.02742	15.1
123.04422	9.0
123.11711	4.4
124.04743	2.0
125.13266	5.4
127.03935	2.8
128.98604	1.3
133.10118	2.1
135.04417	1.3
135.11691	89.3
136.12045	1.3
139.03900	8.4
140.04231	2.5
145.04921	1.4
146.05980	5.8
147.04410	3.3
151.03864	1.4
153.12749	63.9
154.12975	1.3
158.99171	1.3
161.05870	1.2
163.03918	2.8
164.04265	1.8
165.05464	2.1
167.08922	1.8
185.09943	3.7
188.91072	1.2
214.67982	1.2
231.06540	1.5
237.02896	2.2
252.45982	1.5
257.04556	4.8
257.11923	13.7
267.06607	1.5
274.14719	100.0
275.15097	2.6
292.08951	1.5
292.15768	8.3
379.08868	2.5
436.20084	3.2
447.68594	1.7
454.13596	1.4
455.09500	2.1
455.15265	22.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	7.0
67.05505	9.0
69.03419	31.9
69.07056	8.4
70.06596	7.2
70.73970	18.4
71.04983	26.6
72.97828	5.3
73.02886	7.0
77.20735	4.9
79.05490	10.6
81.03409	23.6
81.07042	20.4
83.04978	6.4
83.28566	5.4
85.02900	59.4
87.00830	26.1
88.77864	6.4
91.05477	10.4
93.07035	25.0
95.04943	9.6
95.08624	9.9
97.02889	26.4
99.04456	13.5
105.01876	37.5
105.07033	13.7
106.02924	8.4
107.08588	24.3
109.02882	11.3
109.06528	9.5
109.10168	10.8
109.11831	4.8
111.04356	5.9
112.07618	8.3
119.08582	8.6
121.10129	11.2
123.04412	12.9
124.03947	16.0
127.03902	29.0
131.08534	5.4
133.10048	9.5
135.04414	6.6
135.11705	27.3
145.04951	8.6
147.07925	5.2
151.05151	5.8
151.11172	11.5
153.12746	100.0
163.03873	13.5
167.07069	12.5
231.04982	13.9
268.05493	6.1
268.08167	8.7
365.15982	8.3
381.22226	5.9
383.16827	13.0
418.18137	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	453.321
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41100	0.7
53.03939	2.8
53.12876	0.9
55.01860	3.0
55.05254	1.4
55.05505	13.2
57.03433	8.6
57.07077	5.5
61.02921	11.2
61.56315	0.8
67.05504	13.5
69.03423	28.9
69.07063	23.5
71.01351	1.3
71.04996	4.1
71.08625	1.3
71.57162	1.3
73.02904	3.0
79.05483	11.2
79.46864	0.7
81.03417	13.0
81.07050	58.7
83.01351	1.2
83.04965	1.6
83.08609	8.4
85.02899	100.0
85.06542	8.7
87.04457	4.6
91.03942	3.6
91.05469	6.9
93.07035	23.5
95.04961	2.3
95.08602	41.2
97.02886	25.7
97.06513	1.5
97.10167	7.0
99.04453	6.5
99.08092	7.9
100.11243	3.0
103.03929	1.3
105.07018	13.6
107.08589	35.1
108.99944	0.8
109.02874	11.3
109.06546	1.3
109.10151	30.0
111.04440	2.2
111.08067	1.6
111.11720	3.4
112.81123	0.9
113.09673	1.7
117.07031	1.3
119.08568	11.7
121.10129	27.4
123.04437	2.1
123.11699	14.2
125.09612	2.4
125.13267	2.0
127.03909	25.0
127.11205	3.3
129.05499	1.1
129.12769	1.2
131.08539	2.7
133.10124	9.3
135.04453	1.1
135.11681	19.5
137.13240	5.7
143.08594	1.9
143.14296	1.6
145.04935	16.9
145.10135	3.9
147.11673	7.5
149.13255	34.2
151.14825	1.1
157.10088	1.6
159.11674	4.6
161.13234	7.0
163.03833	3.9
163.14807	33.1
169.10034	1.1
173.13235	3.1
175.14809	3.3
177.16368	9.5
179.17902	1.3
181.15771	1.8
183.11661	1.1
185.13261	2.1
187.14900	2.5
189.16357	4.1
191.17934	5.5
195.17467	3.2
197.19043	1.7
201.16284	2.0
203.17966	3.0
205.19518	1.1
207.17459	1.4
209.19049	4.8
215.18021	1.4
217.19412	4.2
221.19038	3.4
227.17607	1.1
235.20580	3.1
263.23602	1.3
273.25772	3.7
276.72900	1.2
277.25302	2.0
287.50949	1.0
289.25275	5.4
291.26804	95.7
292.27213	2.1
301.24991	1.0
303.26990	2.5
315.26849	2.2
327.27042	1.0
333.27652	2.3
357.27917	1.1
381.27695	2.8
399.29001	3.8
411.65723	1.0
417.29962	4.9
435.31039	2.8
453.32001	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	454.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	1.7
57.03434	2.8
57.43114	2.1
58.80408	1.7
69.03417	5.4
70.06582	6.7
71.04965	3.6
71.59544	3.2
79.05495	12.7
81.07042	4.6
81.53986	1.8
83.04973	2.0
85.02877	8.3
91.05447	9.8
91.17004	1.8
93.07056	2.9
95.04944	7.7
95.08633	2.1
105.07021	5.6
107.04951	28.0
109.02846	1.9
109.10180	3.3
111.04439	2.1
112.07578	3.1
115.05444	5.0
116.06253	2.2
117.06993	7.7
119.04912	4.9
122.03561	2.3
123.04395	8.8
124.03941	4.6
124.05183	3.4
127.03854	3.4
128.06209	2.4
129.06984	5.7
131.04953	3.4
131.08557	8.7
133.06442	4.3
133.10118	2.0
134.99475	1.8
135.04411	2.5
137.05994	3.1
140.07050	3.2
141.06992	4.1
144.05647	6.6
145.05447	2.4
145.06471	16.2
147.04425	10.8
151.11166	2.1
152.04610	2.8
155.06030	3.1
156.05681	13.0
156.11194	2.1
157.06490	5.0
158.07330	3.5
159.08084	17.9
161.06026	10.8
163.03886	5.9
167.07042	100.0
173.05991	14.8
175.07663	2.9
184.05200	2.4
187.07550	18.6
190.06253	10.2
202.06282	6.7
203.06975	2.5
205.08603	30.0
209.08015	2.3
215.07002	5.7
217.08604	57.4
219.08211	3.6
219.10132	15.6
229.08574	3.7
233.06068	2.0
235.09660	5.5
236.08374	3.3
247.07474	4.0
247.09671	23.1
248.08218	3.2
259.07150	2.1
263.10855	3.5
264.07907	4.8
265.08353	2.9
265.10791	5.2
271.09705	2.2
275.07007	3.4
276.07770	3.9
277.08536	2.7
279.10153	6.3
291.10107	4.3
293.07898	3.0
307.09683	3.9
308.10461	2.0
319.09824	3.5
323.12698	3.4
330.10873	7.4
337.10541	3.1
339.11945	4.2
339.54089	2.3
351.12256	7.7
352.12988	2.0
353.10318	3.6
356.12485	3.4
368.12555	6.6
371.14731	17.8
383.10220	3.6
383.14859	64.8
384.15509	2.1
401.15985	27.2
435.57599	1.9
453.86438	2.3
454.22388	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	453.3
Annotation	Chabrolobenzoquinone F
Peak:m/z	Relative Intensity
55.00111	1.5
57.07085	2.0
58.30021	1.6
67.05505	3.7
70.98398	3.5
70.98761	2.6
79.05508	3.7
81.07056	100.0
89.06037	4.4
91.37427	1.5
93.07037	2.1
95.08615	16.9
109.10151	7.9
121.10083	2.0
135.11674	1.8
137.13254	46.8
138.13570	1.8
144.74727	1.6
145.06528	2.8
173.05954	2.2
177.05507	10.2
191.07042	5.0
197.09749	1.6
201.05519	2.6
215.06961	7.4
220.05937	1.9
225.09132	5.3
239.14868	3.5
240.15187	2.0
243.10197	20.6
281.15341	4.9
299.16425	23.5
393.63199	1.7
406.99399	1.9
453.33936	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.2997
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	2.6
67.05500	5.8
71.10628	4.2
79.05472	6.1
81.07053	100.0
89.06026	2.9
91.05467	3.7
91.90857	2.0
93.07051	9.4
95.08600	10.9
100.11252	6.7
107.08580	12.4
119.04923	4.1
133.08611	2.6
135.11661	14.3
137.13252	36.8
147.04410	14.2
165.05473	6.3
169.10979	1.9
182.15433	5.1
200.62212	2.6
220.23447	2.0
239.14847	3.5
290.38022	2.3
299.16354	3.0
453.34479	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	452.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45122	2.8
53.03935	7.2
54.71830	2.6
54.99155	3.0
55.01861	9.9
55.05501	8.4
57.03424	9.6
59.04980	6.6
59.77764	3.1
61.02921	7.2
67.05488	13.1
69.03427	33.4
69.07059	3.9
70.06594	4.6
71.04977	11.9
71.62354	6.0
72.94510	2.5
73.02913	10.2
79.05470	10.4
80.91225	2.8
81.03407	30.5
81.07060	46.1
83.04970	7.7
85.02901	78.5
87.00827	27.8
87.04485	3.5
91.05465	5.8
93.07034	25.3
94.06558	16.8
95.04976	15.2
95.05492	2.9
95.06843	5.1
95.08580	8.1
97.02893	40.0
97.06522	12.3
99.04458	18.0
105.01853	38.3
105.07062	14.4
107.04932	7.2
107.08588	56.2
109.02884	24.2
109.06507	8.5
109.10149	27.5
111.08052	7.2
115.03900	5.3
119.08565	7.4
121.06500	4.1
123.04422	10.5
123.06836	14.5
123.11715	29.7
124.07111	6.5
127.03909	55.7
133.10114	29.8
135.04424	4.7
135.07973	3.4
135.11670	14.2
136.07561	11.3
137.05934	3.7
137.07909	5.1
138.05499	18.7
140.07037	6.0
141.07367	3.9
145.04961	20.5
147.11737	6.2
149.05968	4.6
151.11174	100.0
153.12759	18.0
159.02863	12.5
163.03886	17.0
167.07085	3.3
169.12234	94.3
170.12546	3.7
171.31689	3.1
187.13240	16.3
189.04076	3.6
201.09074	4.9
213.03838	3.8
231.04932	18.1
234.25523	3.7
241.12097	3.9
243.12227	4.8
244.12990	5.9
249.06091	6.9
289.09061	5.0
289.11884	16.0
290.06592	5.1
290.12158	51.9
332.12820	3.5
399.16254	8.4
432.66476	3.1
434.16199	5.6
452.17004	21.7
452.21951	5.3
453.11850	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	453.1381
Annotation	Aspalathin
Peak:m/z	Relative Intensity
51.06050	0.5
53.03938	0.6
55.01855	0.5
56.96563	4.0
57.03434	2.3
58.18067	0.4
61.02921	2.6
69.03431	3.3
69.28030	5.4
71.04974	2.0
73.02920	5.0
81.03405	1.3
83.04952	0.6
84.96056	0.6
85.02430	0.7
85.02905	9.9
86.03243	0.5
91.05486	3.1
93.76408	0.4
97.02883	4.2
98.97581	4.2
101.00921	0.5
101.02389	0.6
107.04943	1.9
109.02893	0.6
110.97561	1.2
112.99134	1.4
115.03931	0.6
116.98632	3.1
119.01878	2.4
119.04928	4.0
121.06496	1.2
122.06912	0.5
123.04429	1.9
127.03923	2.3
128.02280	0.8
128.98607	1.6
131.00166	2.1
131.01900	1.8
133.03438	1.5
134.99620	1.6
135.04385	1.1
136.93129	0.5
137.02864	0.5
137.06001	3.1
138.06342	0.6
139.03897	2.1
143.00179	0.9
143.01862	0.7
145.03487	1.3
145.04927	1.2
146.99622	1.9
147.04405	1.3
149.01219	3.2
149.02882	0.9
151.07533	2.1
154.94136	1.4
155.01884	0.8
156.60262	0.5
157.03444	0.8
158.99603	1.0
159.03226	0.5
161.01198	1.7
161.02940	1.8
163.03894	3.2
170.99696	0.9
171.02467	0.5
171.05049	0.8
172.95218	4.3
173.02951	2.5
175.02710	0.5
175.04469	0.6
177.00723	2.3
178.03601	0.4
178.04948	2.1
178.55096	1.1
179.02261	0.6
179.04735	0.9
186.96747	0.6
187.02884	0.5
187.04413	1.0
189.00768	1.6
189.02367	0.5
190.96330	2.3
190.98015	0.4
191.02284	0.7
191.03912	0.9
193.01843	0.6
194.05255	0.6
195.05125	0.6
199.04457	0.5
200.04411	0.6
201.00781	0.9
203.03897	0.5
207.01784	0.6
211.02777	0.9
211.04614	0.5
213.03430	1.1
214.96281	2.9
219.01761	2.5
219.05141	0.6
219.07178	0.9
221.05112	1.6
222.03868	0.7
223.04811	0.8
229.03816	0.5
231.01845	1.0
232.97363	1.2
235.05347	0.5
237.02849	3.5
237.06064	2.1
238.03308	0.8
242.05876	1.0
244.97319	0.8
245.05022	0.8
249.06221	1.5
250.07011	0.8
250.57019	0.6
251.04291	0.5
251.06810	1.2
255.01772	1.1
259.02460	0.5
259.07040	1.1
259.57645	1.5
260.07507	1.7
261.02771	0.6
261.06155	1.6
266.07297	1.3
272.06616	0.9
273.00269	2.2
273.02942	1.7
279.03928	0.6
281.06332	0.5
281.57257	0.8
291.01251	3.2
291.09485	0.5
291.13281	0.9
294.06250	1.0
303.06454	0.9
316.99438	4.1
317.03076	1.3
317.08453	1.1
318.61301	0.5
321.08539	2.6
324.07599	0.7
332.09158	0.5
335.00449	1.4
335.04056	0.8
339.09039	1.4
340.09186	0.4
340.60452	0.8
345.08380	2.0
345.58371	0.9
354.08832	0.8
411.05875	0.7
453.13647	100.0
454.13943	4.1
476.72275	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2902
Annotation	Eurystatin D
Peak:m/z	Relative Intensity
53.03929	2.5
55.05261	3.0
55.05507	33.4
57.03430	4.1
57.07069	10.8
59.86904	2.0
67.05505	30.3
69.03421	5.7
69.07066	66.4
69.96929	13.0
71.04993	5.4
78.32707	2.1
79.05487	13.0
81.07058	45.6
82.51820	2.0
83.04974	2.7
83.08620	43.5
85.02895	11.7
85.06525	4.0
91.05469	12.0
91.49455	2.4
93.07040	20.0
95.08606	49.5
97.06516	8.4
97.10174	43.5
98.21490	2.8
99.02776	2.3
99.08049	4.6
105.07008	9.5
107.08599	13.7
109.02877	2.9
109.06558	2.8
109.10165	22.5
111.08080	3.2
111.11000	2.9
111.11714	24.1
112.28978	2.4
113.09679	2.5
119.08563	15.3
121.06554	5.0
121.10151	24.6
121.86493	2.2
123.04440	2.3
123.11694	10.3
125.13280	11.2
127.03893	4.7
133.10120	18.1
135.04420	2.4
135.11676	21.4
137.05966	5.2
137.09610	5.9
137.13249	8.7
139.11160	7.2
147.11678	16.4
149.13263	7.4
151.11224	4.2
151.14796	6.4
153.12657	5.4
157.12190	4.4
161.13235	12.9
163.03900	5.7
165.12769	7.3
167.07042	3.6
169.12164	2.7
171.13770	5.4
175.14836	5.7
179.14307	7.0
183.13704	2.2
193.19571	3.7
197.15433	3.3
217.19540	39.5
235.20543	64.8
235.22777	4.4
253.21625	100.0
259.09772	4.8
271.22665	50.0
345.36215	2.5
353.13910	2.3
424.45639	2.5
451.13373	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	Unknow
Peak:m/z	Relative Intensity
53.03930	2.0
54.94579	0.5
55.01867	1.5
55.05517	3.9
57.03421	2.5
60.03629	0.5
64.45200	0.6
67.05494	1.6
69.03431	12.1
69.34568	6.2
71.04997	8.9
73.02911	1.1
75.04468	1.5
79.05484	2.3
81.02974	1.0
81.03419	12.6
81.07043	0.5
81.80368	0.6
83.04989	13.6
83.08599	1.9
85.02907	20.5
87.04459	1.1
89.03912	5.7
91.05429	0.7
95.04975	3.2
97.02901	9.0
99.04459	7.2
100.11265	9.5
103.05468	1.0
105.07040	0.7
107.04949	3.9
109.02869	2.4
111.04446	8.4
115.03913	0.6
115.05400	1.0
117.03373	6.8
120.05743	0.9
121.06475	1.0
123.03558	1.1
123.04434	19.1
126.09212	1.2
126.68346	0.7
127.03913	11.0
128.07011	0.6
129.05463	3.1
131.04941	1.6
133.06531	0.7
135.04424	19.5
136.90367	0.6
137.05978	1.2
141.05461	1.7
143.04962	0.9
145.02849	11.3
145.04840	1.3
147.04453	2.2
147.06509	0.8
149.05975	2.5
151.03874	3.4
153.05431	0.8
161.06000	4.0
163.03909	100.0
164.04283	1.8
165.05473	4.6
167.07077	1.0
169.04980	8.1
173.04448	0.9
173.05884	1.3
175.03934	2.6
175.07521	1.2
177.05414	3.3
181.05005	1.7
182.15410	2.7
185.05974	1.2
189.05460	1.8
191.07013	0.8
193.04997	2.3
199.07590	0.9
201.05367	1.4
203.07060	2.3
205.04959	1.5
209.08022	0.8
209.16537	3.8
210.14900	3.6
213.05414	0.7
217.05128	1.1
217.08641	1.2
219.06516	1.3
226.19247	0.7
227.07019	0.9
231.06532	2.5
245.08107	1.9
255.08849	0.8
273.07584	5.8
289.06039	1.0
291.08719	7.2
291.13409	1.0
307.08121	2.5
308.97321	0.6
309.09717	2.4
435.33438	3.4
453.13925	20.8
453.34354	14.0
454.14160	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2841
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.9
55.05500	0.8
56.40747	0.8
57.07051	0.9
57.84492	0.6
61.43742	0.6
67.05504	4.5
67.79493	0.7
69.07065	2.0
69.27285	5.7
69.27701	1.9
69.95722	0.8
79.05492	4.6
81.07054	100.0
82.07401	1.5
84.75089	0.7
91.05470	1.1
93.07036	1.3
93.50024	0.6
95.08609	13.1
98.20568	1.1
105.07024	1.5
124.35892	0.8
133.10162	1.9
137.13252	40.8
145.06587	0.8
169.06583	0.7
173.06024	1.6
177.05472	1.6
181.06541	2.4
191.07074	1.9
193.10126	0.7
195.08083	2.6
197.06012	3.7
197.09677	0.9
197.32179	0.7
209.09700	1.2
210.78732	0.7
211.07596	1.8
215.07011	8.4
223.07524	5.2
237.09047	1.6
237.12778	1.3
241.08569	3.3
251.14342	1.9
255.10112	0.8
261.12735	5.3
279.13788	12.5
280.14105	0.9
281.15326	0.9
297.14850	20.7
298.15295	1.3
433.27936	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2843
Annotation	Usambarine
Peak:m/z	Relative Intensity
53.03918	1.1
57.07059	1.9
59.04999	2.6
62.78071	1.0
67.05505	5.1
71.52136	1.1
79.05489	8.3
81.07053	100.0
82.07384	1.3
91.05463	3.3
93.07047	4.8
94.07835	2.1
95.04989	1.1
95.08608	12.8
105.07031	3.1
107.08564	6.1
109.06518	1.7
109.10116	7.3
119.04940	4.9
123.11705	0.9
129.61516	0.9
133.10130	5.1
137.13248	36.5
147.04402	20.5
151.11189	8.5
161.71457	1.0
165.05473	8.9
195.08243	1.0
209.94226	1.0
213.09106	1.4
215.06958	1.6
239.10727	7.9
241.08598	1.7
241.64406	0.9
257.11734	9.4
293.65372	0.9
297.14841	8.3
315.15869	1.8
340.41135	1.1
451.28308	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	451.2842
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83286	0.8
55.04948	0.9
67.05502	3.6
68.31399	0.7
69.00282	0.8
70.81723	2.2
70.82072	1.1
79.05483	6.4
81.07058	100.0
81.16794	0.9
82.07359	1.6
91.05485	1.7
93.07045	7.1
94.72470	1.0
95.04957	1.1
95.08608	15.6
127.70001	0.9
137.13257	35.4
155.78880	0.9
159.04431	2.4
167.08569	1.6
177.05460	13.5
181.42787	1.1
195.08040	2.6
197.06012	1.6
197.09555	0.9
201.05486	2.8
205.06483	1.0
211.07532	1.4
221.09660	1.5
223.07555	2.2
237.09129	1.3
239.10628	6.2
241.08604	5.7
257.11743	14.1
257.14731	1.2
257.15414	1.2
279.13861	1.3
281.15390	1.3
297.14868	12.7
299.16434	3.1
304.27286	0.9
311.58987	0.9
315.15848	1.2
439.75412	1.0
441.75937	0.9
451.28479	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2844
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.2
55.05502	4.1
57.07071	4.6
60.57263	1.7
63.36440	1.5
67.05513	8.1
67.47586	1.4
69.03417	1.7
69.07070	3.7
70.80727	4.3
71.08585	2.6
79.05492	12.2
81.03386	1.5
81.07058	100.0
82.07394	2.5
85.02920	1.9
91.05463	6.0
93.07044	17.1
94.89598	1.4
95.04971	4.7
95.08606	19.9
97.06519	1.7
98.98531	1.9
99.61720	1.6
105.07029	6.6
105.70595	1.4
107.04970	13.0
107.08595	22.6
109.06535	13.7
109.10142	4.8
111.08083	2.8
117.07058	2.2
119.04943	4.2
119.08578	5.7
121.06544	2.5
121.10137	2.5
123.04414	3.0
123.08043	5.7
123.11671	1.9
131.08505	2.1
133.10118	3.2
135.08011	3.1
135.11678	31.0
137.09544	2.1
137.12199	2.0
137.13249	32.5
145.10112	4.7
147.04413	29.4
147.08020	2.2
148.04758	2.2
149.09604	9.9
151.11211	15.3
157.10196	1.8
161.09601	2.4
163.11159	3.9
172.95200	9.3
173.09525	1.8
175.11261	1.6
179.14342	7.2
185.09653	1.8
190.96272	8.0
191.10701	10.6
197.98453	5.3
215.07100	1.7
215.99489	5.1
228.97942	2.0
269.15182	1.7
289.12424	2.7
297.14902	7.9
299.16412	5.4
315.15817	6.3
331.26190	2.1
349.27219	3.2
353.27008	2.1
409.86722	1.7
420.19702	3.3
420.69299	3.7
451.10046	3.8
451.21573	1.7
451.27908	4.3
468.96170	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	451.2843
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.6
55.05513	0.9
56.96569	0.7
57.07071	1.2
60.71751	0.4
67.05497	4.0
69.07047	1.0
71.52110	0.8
79.05486	5.8
81.07052	100.0
82.07395	0.9
91.05478	0.5
93.07040	1.8
95.08602	13.0
107.04954	2.5
107.08590	2.3
108.69231	0.4
109.06546	0.7
109.10161	1.3
121.02872	1.0
133.10135	1.1
135.08090	0.5
135.11720	1.1
137.13248	37.5
138.13553	0.6
145.06584	0.8
147.04387	2.5
149.21611	0.4
151.11192	0.9
157.06520	0.5
163.07574	0.7
167.08556	0.7
185.09654	2.0
195.08113	1.3
197.09666	1.6
198.06874	0.6
209.09621	1.0
211.11201	1.7
213.09082	3.0
225.12730	0.8
227.14406	0.6
241.08527	3.3
251.14301	1.5
253.15907	1.4
269.15417	1.1
271.16895	3.7
297.14825	20.4
298.15292	0.7
315.15891	6.2
317.17871	5.0
318.18060	0.7
335.18930	3.6
358.20636	1.2
384.33347	0.4
391.21689	1.0
451.28290	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2842
Annotation	Usambarine
Peak:m/z	Relative Intensity
53.03951	0.4
56.94691	0.5
57.07066	1.8
59.00563	0.4
60.79643	0.4
64.35551	0.5
67.05507	4.6
69.07063	1.3
70.02296	2.3
74.69410	0.5
75.74243	0.4
75.79871	0.5
79.05489	5.0
81.07056	100.0
82.07391	1.0
85.06572	1.2
90.93684	0.4
91.05514	0.4
93.07068	0.7
95.08608	15.9
103.58407	0.5
107.08590	1.9
109.10154	1.6
124.30936	0.5
125.09618	2.3
137.13252	42.9
138.13605	0.8
147.04425	0.8
151.11208	0.6
159.04553	0.6
167.08586	0.6
173.05952	0.7
176.08406	0.5
177.05490	1.3
181.06441	0.9
185.06123	0.7
185.09708	0.7
195.08051	5.6
197.09695	1.4
198.06787	0.6
200.62625	0.5
201.05457	0.8
211.07526	1.0
213.09055	3.2
223.07646	1.4
225.09126	1.4
231.10341	0.8
237.09073	2.8
237.12859	2.0
239.10832	0.8
241.08614	4.6
241.12285	0.6
255.13745	2.9
257.15433	0.9
261.12772	0.7
279.13840	3.2
281.15405	0.8
297.14838	22.3
298.15192	1.0
299.16513	1.6
315.15860	13.2
315.19189	1.0
417.83344	0.5
451.28329	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2843
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91668	0.5
53.03944	1.0
55.05502	1.6
57.07065	0.5
64.43857	0.6
65.03946	1.4
67.05502	3.3
69.07081	1.3
69.26984	3.1
69.27411	3.4
79.05493	8.9
81.07048	11.4
91.05478	15.8
93.07042	47.7
95.04981	2.8
95.08614	1.9
105.04495	0.8
105.07010	3.4
107.04982	0.7
107.08593	81.1
108.08913	0.7
109.06531	1.8
109.10145	1.2
119.04942	16.9
123.11675	0.8
133.10120	0.7
135.11691	84.6
136.12015	1.2
137.13251	3.6
147.04405	100.0
148.04747	0.8
165.05457	7.5
165.37694	0.6
177.05399	1.1
191.06998	0.8
213.09155	0.9
215.07051	0.8
225.09062	0.8
230.11546	0.6
241.08595	1.1
243.10197	0.8
255.27084	0.6
256.71652	0.6
281.15421	2.6
288.07834	0.6
297.14813	2.4
299.16403	10.8
390.04837	0.6
394.24655	0.5
451.28299	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	451.2843
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94857	0.6
53.03933	0.7
54.54679	0.7
57.07052	1.2
62.60516	0.8
67.05505	4.2
69.07065	1.3
79.05496	5.2
81.07054	100.0
82.07392	1.2
91.05485	1.1
93.07049	1.6
93.74594	0.6
95.08604	12.7
95.09167	1.1
104.58337	0.6
105.07025	8.4
107.04957	1.6
107.08571	1.0
109.10158	1.3
131.04895	0.8
131.08578	1.2
133.09109	1.1
133.10121	20.9
137.13252	40.8
141.06943	0.8
145.06514	1.4
147.04416	1.0
159.08116	3.2
166.87425	0.6
177.05449	8.3
187.07562	7.5
187.09015	1.1
205.08607	11.6
229.43697	0.7
239.14471	0.8
279.13898	2.3
297.14743	3.4
315.15897	32.6
316.16385	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.284
Annotation	Usambarine
Peak:m/z	Relative Intensity
55.05481	1.3
56.46992	1.1
57.07047	2.2
66.77859	1.2
67.05484	5.4
69.07052	3.0
70.02209	4.0
70.02621	2.2
70.84402	1.1
79.05490	7.4
81.07054	100.0
82.07379	1.6
85.28986	1.2
89.06036	1.6
93.07023	1.5
95.08595	14.6
105.52450	1.2
107.08575	2.2
109.10130	4.0
133.27757	1.2
135.11702	1.4
137.13258	37.3
147.04337	1.5
173.05948	2.8
177.05473	4.0
195.07991	2.1
197.05940	1.8
209.09663	1.2
215.07045	2.0
223.07408	1.3
237.09093	3.9
241.08685	1.2
251.14169	1.6
257.15497	1.6
279.13779	12.2
281.15353	1.8
297.14832	17.0
299.16385	3.2
312.78763	1.2
315.15500	1.7
451.28305	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	451.1574
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93184	0.3
53.03945	0.6
55.01866	3.4
55.05508	2.7
57.03430	1.3
57.07074	0.4
58.62561	0.4
59.28598	0.3
60.38272	0.3
61.02933	1.6
67.05503	3.4
67.41860	0.3
69.03425	5.3
69.07068	2.7
70.05549	1.3
70.06582	0.5
71.04987	1.2
72.04510	1.1
73.02902	1.0
79.05491	1.9
80.89758	0.3
81.03422	2.2
81.07053	7.2
83.04985	0.7
83.08611	1.9
84.04495	5.5
84.09354	0.3
85.02902	14.4
85.06541	1.9
87.04461	0.7
91.03937	0.5
91.05471	1.9
93.07041	3.7
95.04951	0.8
95.08604	6.2
97.02889	4.4
97.06555	0.4
98.20792	0.4
99.04436	1.2
99.08095	1.7
100.11252	4.1
105.07021	3.2
107.04964	0.4
107.08584	4.0
109.02865	1.9
109.10151	4.0
111.04465	0.3
111.08010	0.3
111.11733	0.5
112.07632	0.4
113.09613	0.5
115.03911	0.5
117.06992	0.7
119.08564	4.3
121.06473	0.5
121.10139	3.0
123.04417	0.9
123.11702	1.3
125.09633	0.4
127.03921	3.3
129.07008	0.4
131.08543	1.6
133.10112	3.4
135.04460	0.5
135.11694	2.4
137.02267	0.3
137.05949	1.7
137.13290	0.4
143.08601	0.5
145.04927	2.4
145.10103	2.2
147.04460	0.5
147.11656	2.9
149.05998	0.5
149.13245	1.9
154.12270	5.5
159.11707	3.2
161.13252	3.7
163.03885	0.8
163.14818	1.3
171.11746	0.5
171.14912	1.0
173.13260	2.2
175.14801	2.0
177.16357	0.7
182.15349	0.7
185.13181	0.6
187.14825	2.2
189.16364	1.8
191.17902	0.4
199.14862	0.6
201.16403	1.5
207.15434	0.4
210.14919	1.2
215.05257	0.6
215.17958	0.7
243.15068	0.4
271.14438	0.5
271.24255	1.5
281.18576	4.1
287.05640	1.0
287.23709	0.8
289.06061	0.3
289.25238	13.9
293.27368	0.5
299.08945	0.4
304.05380	0.6
305.05405	0.4
313.25211	0.6
317.08630	0.4
319.07156	0.9
319.11472	0.6
379.26230	0.4
397.27460	0.6
415.28461	1.4
426.28235	0.4
432.01147	0.3
433.29932	1.1
451.15738	100.0
451.32587	6.6
452.15961	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	451.2457
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07815	1.5
55.01871	2.0
55.05510	16.7
56.03107	1.5
57.03430	7.7
57.07069	6.6
65.03897	1.7
67.05505	36.6
69.07066	15.3
71.08633	28.5
71.59669	2.2
79.05500	21.6
81.06579	3.0
81.07056	57.9
81.07523	3.3
83.04993	3.5
83.08621	6.5
83.65530	1.4
85.10184	5.0
91.05469	13.6
93.07044	23.0
95.04977	3.5
95.08610	37.7
97.06535	3.6
97.10186	4.8
98.98463	44.9
99.08092	24.4
100.05930	1.6
104.14471	1.5
105.07018	11.8
107.04951	1.9
107.08589	17.0
109.06512	2.2
109.10139	16.4
111.08118	2.7
113.09630	7.9
116.99567	1.6
117.07043	1.5
119.08569	8.2
121.02885	3.6
121.10142	12.8
123.04452	1.5
123.11713	6.2
125.09604	2.6
129.05412	1.5
131.08575	7.8
133.06508	3.1
133.10127	3.2
135.04489	1.6
135.07996	2.3
135.11678	10.1
137.13248	6.6
139.11189	2.3
145.10123	6.6
147.04428	2.7
147.11703	15.7
149.09578	2.4
149.13264	6.3
153.12749	3.5
155.01038	3.1
159.11678	2.9
161.13251	4.1
163.11250	1.9
163.14832	6.1
165.12741	5.5
173.02121	6.7
173.13245	3.2
175.14717	2.3
179.14252	1.5
181.15834	3.6
233.22685	2.5
242.64494	1.7
243.21164	9.8
253.18022	3.8
261.22113	16.4
279.23206	31.3
335.25790	19.9
353.26849	100.0
354.27109	2.0
433.23874	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1233
Annotation	Dalbergioidin 4'-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
51.02375	1.1
53.03939	3.1
55.01869	3.2
57.03428	6.5
61.02920	6.6
65.03931	2.4
67.05489	2.6
68.99784	2.3
69.03429	16.9
70.93887	1.6
70.94246	2.2
71.04970	2.4
73.02912	7.6
74.03264	1.1
79.05519	0.9
81.03416	6.6
85.02901	41.9
86.03246	1.4
87.04473	2.0
91.03963	2.2
93.03405	1.1
95.04985	1.7
97.02891	16.9
98.03187	0.9
99.04452	3.9
107.04945	3.7
109.02854	4.5
109.65824	0.8
111.00819	4.3
111.04424	8.7
115.03955	2.0
121.06524	0.9
123.04422	100.0
127.03915	24.1
131.04930	2.5
131.69424	0.9
133.04959	1.0
135.03387	2.1
135.04410	33.9
139.03894	70.3
145.04994	6.4
145.05936	0.9
145.06493	0.8
147.04382	5.9
149.02333	4.0
149.05998	2.0
151.03894	19.6
155.03374	1.0
157.06471	1.5
159.04359	1.8
161.05969	1.3
163.03894	17.1
163.07509	1.9
169.06425	1.2
173.05997	1.4
175.03932	1.1
175.07491	0.9
177.05467	1.6
179.03419	2.2
185.06041	1.2
187.03903	3.3
189.05457	1.7
193.05075	1.5
197.05922	1.9
201.05460	1.2
203.07175	0.9
213.05412	1.0
215.07149	1.5
229.04991	1.7
231.06557	3.3
234.45757	1.0
243.06578	3.3
246.80574	1.0
253.04944	1.0
253.08025	0.9
259.05975	5.7
261.07535	10.7
271.06015	17.2
271.08878	0.8
273.07562	21.7
289.07013	21.6
295.79880	0.9
301.06949	1.7
451.17551	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	451.1231
Annotation	Stillopsin
Peak:m/z	Relative Intensity
55.01862	5.4
57.03428	8.7
61.02902	3.6
67.05479	2.5
68.99776	5.8
69.03072	5.0
69.03426	62.8
71.04988	42.8
71.06006	8.3
72.08163	3.1
73.02904	3.1
73.70838	2.5
79.05502	8.0
80.05790	3.0
81.03419	13.1
83.04991	5.0
85.02901	100.0
86.03244	7.9
86.09705	12.4
87.00816	21.4
87.04457	3.2
87.67236	2.6
91.05480	5.1
93.07037	21.2
94.06565	4.4
94.07369	11.8
95.04967	5.0
97.02888	18.7
99.04452	8.5
105.01861	38.8
105.07034	5.2
106.02208	7.7
107.04942	12.9
107.08575	8.0
108.08929	3.9
109.02887	11.9
109.06497	3.0
110.03198	3.2
111.04443	11.2
111.08083	3.1
112.21681	3.0
119.04802	2.7
120.08097	6.3
121.02867	36.7
121.10143	20.2
122.10461	22.5
123.04427	65.4
123.06808	3.8
127.03903	27.3
128.04257	10.3
129.05461	12.4
135.04395	24.8
137.05951	5.2
139.03905	12.9
145.02838	5.9
145.05011	13.5
147.04388	6.4
149.02339	12.4
149.09596	21.6
150.09961	28.6
151.03885	8.9
151.11333	2.9
153.01814	17.1
161.02376	3.6
161.05972	4.5
163.03893	39.0
165.01888	17.2
166.08710	3.9
167.07019	3.8
167.10748	5.4
168.11026	5.7
173.02327	8.7
177.01836	10.2
177.05374	3.2
179.03441	5.7
183.02885	18.5
187.04037	4.2
189.05531	4.2
191.03395	13.6
193.05013	3.7
195.02870	46.5
199.07545	3.0
203.03435	6.8
205.04910	4.2
215.03401	5.1
215.07024	9.0
217.05045	7.0
219.02957	18.5
221.04495	4.2
231.04846	6.0
231.06839	4.0
232.05289	9.3
241.05202	3.9
243.06551	11.4
245.04485	12.6
250.06340	4.8
255.06534	9.6
259.06033	10.2
261.03818	3.6
263.05450	23.9
271.06012	22.2
271.09650	4.2
273.07608	8.0
281.06622	6.3
283.06085	16.4
287.05353	3.6
289.07037	6.1
289.11377	12.8
297.07632	4.3
301.07043	15.3
305.06512	9.6
311.05444	8.7
313.07043	13.4
317.06610	3.1
325.06946	5.1
329.06543	9.4
331.08423	4.3
347.07626	8.3
355.07916	3.3
369.09650	3.4
371.07761	6.2
379.07846	5.6
381.10757	3.4
394.49869	3.0
397.09076	12.1
398.15039	3.3
415.10245	13.7
433.11209	7.1
451.11798	15.4
451.17490	5.0
474.42480	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	451.1211
Annotation	6-C-Glucopyranosyldihydrokaempferol
Peak:m/z	Relative Intensity
59.30632	0.6
60.83427	0.7
67.02509	0.6
67.05501	1.1
69.03429	0.8
69.07055	0.9
71.05002	0.8
71.11650	0.9
71.11994	1.1
79.05518	0.8
81.07050	1.8
82.54046	0.6
84.96069	0.9
85.02914	1.8
85.84350	0.7
91.05494	1.1
93.07053	1.2
95.08625	1.8
97.02918	1.2
97.06544	1.0
98.97608	2.4
105.07043	0.9
107.04974	1.2
109.02953	0.7
109.10141	0.8
116.98647	1.3
118.00771	0.7
123.04444	1.4
123.07990	0.8
127.00050	1.3
128.98653	0.7
134.01428	0.6
134.99684	1.4
137.05977	9.9
144.98148	0.8
146.99663	1.3
151.07417	0.6
161.02200	0.9
162.02916	1.1
163.03970	1.5
167.07091	2.0
169.01195	1.1
169.04706	0.8
177.00665	1.0
178.22899	0.7
185.04286	1.1
194.24860	0.7
195.06522	0.7
202.06085	1.8
203.06773	5.8
219.01834	1.9
227.05296	1.5
237.02843	6.1
255.04639	0.8
259.09619	1.2
271.04236	7.3
285.11456	1.0
289.25409	0.8
365.12430	1.5
383.10269	2.3
407.13123	19.8
451.12131	100.0
452.12695	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	451.1211
Annotation	Unknow
Peak:m/z	Relative Intensity
59.30632	0.6
60.83427	0.7
67.02509	0.6
67.05501	1.1
69.03429	0.8
69.07055	0.9
71.05002	0.8
71.11650	0.9
71.11994	1.1
79.05518	0.8
81.07050	1.8
82.54046	0.6
84.96069	0.9
85.02914	1.8
85.84350	0.7
91.05494	1.1
93.07053	1.2
95.08625	1.8
97.02918	1.2
97.06544	1.0
98.97608	2.4
105.07043	0.9
107.04974	1.2
109.02953	0.7
109.10141	0.8
116.98647	1.3
118.00771	0.7
123.04444	1.4
123.07990	0.8
127.00050	1.3
128.98653	0.7
134.01428	0.6
134.99684	1.4
137.05977	9.9
144.98148	0.8
146.99663	1.3
151.07417	0.6
161.02200	0.9
162.02916	1.1
163.03970	1.5
167.07091	2.0
169.01195	1.1
169.04706	0.8
177.00665	1.0
178.22899	0.7
185.04286	1.1
194.24860	0.7
195.06522	0.7
202.06085	1.8
203.06773	5.8
219.01834	1.9
227.05296	1.5
237.02843	6.1
255.04639	0.8
259.09619	1.2
271.04236	7.3
285.11456	1.0
289.25409	0.8
365.12430	1.5
383.10269	2.3
407.13123	19.8
451.12131	100.0
452.12695	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	450.2609
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	11.2
57.03433	11.7
67.05502	44.3
69.07069	6.6
69.28949	5.2
69.29356	30.2
79.05492	26.3
81.07056	61.8
82.07393	3.3
83.08621	4.4
91.05478	9.6
93.07040	30.3
95.08606	39.5
98.98484	36.7
101.10947	2.8
105.07052	5.9
107.08622	19.4
109.10173	14.4
115.23630	2.8
119.08594	5.6
121.10137	15.6
123.11710	10.6
131.08542	5.9
133.10100	5.1
135.11693	8.4
137.13257	9.0
145.10141	5.4
147.11618	3.7
148.04636	3.1
149.13246	8.4
155.01028	6.7
159.11707	5.3
161.13213	3.8
163.14835	3.8
173.02098	7.4
176.80417	3.3
187.66051	2.9
243.21208	6.2
261.22095	25.0
262.89011	3.2
335.25778	100.0
428.12592	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	451.1002
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96551	5.2
67.05499	5.6
69.07067	3.2
71.62846	5.2
81.07039	5.6
82.61706	2.6
84.96031	4.6
85.02892	7.6
93.07018	6.4
95.08592	5.1
98.97584	3.7
105.06995	4.2
107.08541	7.2
116.98554	4.3
119.08517	3.4
121.10050	3.6
127.03840	3.3
133.10042	3.4
137.05991	20.8
163.03873	3.2
167.06989	3.4
219.01720	9.0
237.02858	39.2
255.03893	5.4
260.04276	4.3
271.04160	4.2
365.08936	5.4
383.10141	7.5
407.11813	5.3
451.09952	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.4
55.01865	4.5
55.05510	1.8
57.03434	4.1
61.02921	4.2
61.93765	1.5
62.05681	1.4
63.04377	1.3
64.32661	1.4
67.05490	3.1
68.46090	1.3
68.99790	1.6
69.03423	30.4
69.96744	1.4
71.04984	6.3
71.10699	3.1
73.02908	2.9
79.05492	18.2
80.29308	1.4
81.03413	19.5
81.07047	3.7
82.45992	1.5
85.02903	87.9
87.00828	39.0
91.04001	1.7
91.05482	8.5
93.06471	2.8
93.07043	52.5
94.15362	1.5
95.05009	3.1
95.08620	1.7
97.02896	23.3
97.06519	1.9
97.21985	1.5
99.04417	8.6
105.01860	100.0
105.07040	9.4
107.04941	2.4
107.08593	19.5
109.02876	27.6
109.06517	4.6
111.04426	3.0
118.50430	1.3
121.02866	5.9
121.06519	3.1
121.10139	68.2
123.04403	5.0
123.08093	3.3
123.11731	2.5
125.09666	2.0
127.03907	62.2
129.01807	1.5
129.05490	1.8
131.08621	1.9
135.04445	3.1
138.05464	2.8
139.11194	7.1
140.35538	1.6
145.04945	27.4
147.02905	2.3
149.09613	84.4
151.11195	1.8
153.01796	2.2
159.02892	5.2
163.03857	7.0
167.10661	29.9
171.02917	2.6
177.90898	2.0
189.03952	4.1
195.02876	3.6
210.20605	2.2
213.03882	8.8
219.02963	2.7
231.04993	20.9
249.06027	20.4
275.12836	6.1
287.05487	4.6
288.05789	7.8
289.11801	1.9
377.18896	1.6
379.13788	5.9
382.26874	1.9
397.09540	2.6
397.14935	12.6
401.69006	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	4.8
57.03438	46.9
59.04975	1.8
60.04512	1.1
61.02925	20.1
69.03430	57.4
71.01344	6.1
71.04993	3.3
71.25994	2.8
73.02915	97.4
81.03414	6.8
83.04971	1.3
85.02903	100.0
87.04472	10.7
91.03947	5.2
91.05455	2.1
93.07053	1.9
96.04513	1.2
97.02891	88.3
99.04454	4.9
103.03949	2.5
103.05447	2.0
107.04980	1.4
109.02880	8.5
111.04408	1.6
115.03928	88.5
117.07031	2.0
121.06504	56.4
123.04425	2.1
127.02500	1.6
127.03921	34.0
128.06197	1.2
132.06598	1.9
133.04964	38.9
133.06467	1.6
139.03842	1.6
139.89555	1.2
145.04968	40.4
145.06479	14.2
150.07632	11.8
151.03934	1.8
151.07596	2.0
151.14691	1.1
157.06471	1.8
159.08066	4.5
163.06032	20.8
163.07561	5.5
171.08139	1.9
175.07559	12.8
179.07077	2.5
180.08699	4.4
185.06010	1.4
187.07539	22.5
189.09190	2.0
193.04927	2.1
199.07655	2.2
201.08971	1.6
205.08603	22.5
211.05960	1.4
217.06844	1.7
217.08636	18.7
223.05962	9.2
229.08635	9.6
235.09654	18.1
241.07037	13.3
247.09653	11.6
253.10748	5.0
259.08112	11.9
265.10669	11.7
274.91498	1.5
288.05786	3.0
295.10220	12.2
301.12769	2.0
312.12839	2.7
372.31366	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.8
55.01871	2.2
56.96564	1.7
57.03439	5.5
61.02924	9.2
64.15559	0.9
65.03941	1.5
69.03429	18.8
69.69466	1.0
70.06584	1.3
71.04990	2.4
72.08146	1.1
73.02916	4.3
79.05478	1.3
81.03415	7.5
81.07068	0.9
85.02900	100.0
87.00827	0.9
87.04430	2.2
91.03956	4.4
91.05476	81.7
93.07038	2.2
97.02888	37.1
98.97564	1.6
99.04433	3.2
103.03925	1.4
107.04951	4.3
107.08590	2.3
109.02870	9.2
115.03951	4.6
115.14276	0.8
116.98643	1.1
121.06491	2.9
121.10160	1.9
123.04424	3.8
123.08101	1.0
125.05959	0.9
127.03913	29.2
128.50723	1.0
129.06987	1.6
131.08557	2.9
133.06439	1.1
135.04407	1.6
137.05991	1.8
139.03876	1.9
145.04955	50.9
149.09612	14.1
151.03905	1.3
157.06427	1.3
161.04465	2.9
163.03935	1.4
163.06007	23.9
167.10680	2.9
171.08000	2.0
179.39714	0.9
180.08699	1.2
204.08696	1.2
208.44138	0.8
217.08603	3.3
235.09622	2.7
245.10687	1.2
246.11066	1.8
253.10677	2.8
269.10803	1.1
270.11072	2.5
271.12057	1.1
288.05731	1.4
288.12103	2.4
289.09308	1.1
325.11252	3.0
408.15979	1.8
450.17526	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2687
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88358	0.9
53.03930	1.2
55.01860	1.8
55.05503	1.7
57.07084	1.0
58.13243	1.0
65.03930	2.1
67.05492	4.3
69.07058	3.0
69.46777	2.2
69.47173	8.1
73.41566	0.9
79.05494	18.2
79.82726	0.8
81.07060	7.5
83.59253	0.9
91.05478	15.2
93.07044	59.5
95.04959	4.8
95.08627	4.7
103.05447	1.7
105.07030	6.7
107.08596	87.2
109.06493	3.0
109.10158	2.7
119.04938	4.2
119.08604	1.8
123.11763	1.0
131.04906	2.6
131.08560	1.0
133.10106	5.5
135.11694	100.0
136.11984	1.1
147.04408	21.7
159.04422	3.3
163.03938	2.5
165.07066	1.1
167.08566	2.8
169.06375	1.1
171.08028	1.6
177.05495	7.0
177.06792	1.4
179.08536	1.5
181.06526	1.1
183.04398	1.4
183.07999	1.5
191.08615	1.3
194.07167	2.1
195.08055	17.6
197.06039	2.2
199.07480	1.6
201.05460	1.6
205.06616	1.8
205.10355	1.3
205.12213	1.7
206.07269	1.5
209.09613	3.2
211.07556	3.2
213.09090	2.2
219.07886	1.6
221.09641	3.5
223.07510	8.7
237.00038	0.9
237.09102	16.4
237.12698	2.3
239.10695	7.7
241.08678	4.4
246.10371	1.4
255.13675	1.9
257.11737	4.8
259.40753	1.0
261.12762	1.7
279.13748	8.2
287.81375	1.1
297.14862	42.4
299.16452	2.2
375.19693	1.2
426.62912	1.0
431.26129	2.1
449.26913	16.5
449.32895	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2668
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.1
55.05514	6.1
57.03434	42.8
57.07076	34.5
64.86924	0.9
67.05502	16.9
69.07063	8.3
70.23351	0.8
70.31450	4.0
71.08630	24.5
73.72166	0.9
79.05482	7.4
81.07052	32.9
83.08623	7.7
85.10172	11.0
91.05479	5.6
93.07043	19.8
94.07366	1.1
95.04958	1.1
95.08603	24.0
97.10167	5.4
98.98461	67.3
105.07031	2.3
107.08594	29.3
109.06519	1.3
109.10155	11.9
113.00034	3.8
116.99508	3.1
119.08588	1.5
123.11697	3.2
124.85126	0.9
128.42120	0.8
131.04900	1.2
133.10132	0.9
135.11687	29.6
136.99985	62.9
137.13243	5.5
140.01042	1.7
145.06476	0.9
147.04405	3.6
151.07480	1.2
155.01039	72.4
157.06459	0.8
159.04381	2.1
169.02661	1.1
173.06091	1.7
177.05466	2.2
178.02652	2.8
181.06473	1.2
185.06010	1.4
189.87486	0.8
193.02603	13.4
195.08058	3.4
196.03728	1.2
197.05948	1.8
201.35631	0.8
209.09636	2.1
211.03670	13.9
211.07472	0.9
213.09175	1.3
218.83131	0.9
219.08035	0.8
221.09622	1.2
223.07529	1.7
237.09099	6.6
239.10635	1.3
239.23645	4.2
241.08624	2.0
261.12717	2.3
269.15408	1.4
279.13754	5.1
286.19693	1.0
287.05435	1.2
297.14871	17.2
303.04904	1.2
313.27359	59.1
326.19540	1.1
337.27289	6.5
449.26614	100.0
450.27017	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	449.2745
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	8.2
57.07029	1.5
65.03928	1.3
67.05502	31.7
69.03436	2.7
69.07067	10.8
71.04993	7.4
73.02911	2.0
79.05489	12.1
81.06580	2.5
81.07053	41.8
83.04980	2.0
83.08604	7.8
85.02893	3.0
85.06535	3.9
91.05465	13.4
93.07048	24.2
95.04967	1.5
95.08607	42.4
97.06537	2.4
97.10162	5.5
98.20618	2.1
99.08104	1.4
105.07025	8.5
107.04963	1.5
107.08595	15.0
109.10151	25.4
111.08086	1.6
111.11681	3.6
117.07042	2.2
119.08578	10.3
119.71187	1.4
121.06480	4.1
121.10150	14.1
123.04420	2.5
123.08060	1.7
123.11696	12.6
130.81061	1.3
131.07712	1.2
131.08554	7.6
133.10112	15.8
135.08035	5.5
135.11699	9.8
137.09618	9.2
137.13242	3.6
139.07547	2.5
141.09087	1.9
145.10170	6.1
147.04378	1.9
147.11679	5.8
149.09608	2.7
149.13223	3.8
151.11157	8.7
153.09081	2.4
155.10669	2.9
155.82019	1.5
157.06458	1.7
159.11707	4.7
163.03835	1.9
163.11185	2.8
169.12167	1.9
173.13188	3.5
177.12691	1.4
181.12183	2.6
187.14755	3.4
191.17921	5.7
195.13795	4.0
213.05502	2.8
215.17924	27.5
233.18988	19.5
241.05119	1.7
251.20052	22.4
269.04474	6.8
269.21112	100.0
287.05457	16.1
287.22232	9.5
288.05673	1.6
297.03943	41.3
297.09076	1.7
298.04352	3.4
303.04868	1.5
313.17603	1.4
327.05063	2.5
373.06857	1.4
429.34348	1.4
449.08716	25.6
450.09036	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	449.2687
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	1.2
51.33905	0.5
53.03948	2.0
55.05509	2.0
57.03434	1.0
57.07066	1.1
59.04994	1.5
65.03939	1.8
66.55748	0.6
67.05503	5.1
69.07065	2.1
69.98293	3.5
79.05492	14.0
81.07066	6.3
84.81184	0.6
85.06587	0.7
91.05482	19.1
93.07044	53.1
94.07893	0.6
95.04960	3.2
95.08602	2.5
98.98481	2.0
103.05435	0.9
105.07029	14.0
107.04958	0.8
107.08594	93.0
108.08931	1.3
109.06511	2.9
109.10140	5.3
119.04941	15.5
121.10177	0.9
123.11711	1.7
125.22936	0.5
131.04944	1.8
133.10130	19.7
135.11690	100.0
136.99971	1.2
137.13246	0.7
137.73361	0.6
145.06396	0.7
147.04408	96.7
148.04726	0.9
151.11212	3.3
151.78810	0.6
152.06221	1.0
154.37604	0.7
155.01010	2.2
157.06471	1.0
159.04416	2.2
165.05478	4.9
165.06802	1.2
165.68048	0.6
166.07790	1.1
167.08548	1.3
171.08139	0.7
173.06020	1.1
175.03946	1.7
177.05481	6.6
179.08562	1.2
183.04346	1.4
191.08577	1.1
193.10202	0.9
194.07254	1.4
195.08061	9.7
197.05963	2.2
201.05479	2.3
206.07292	0.8
209.09575	3.0
211.07507	1.3
211.11069	0.7
213.09023	1.0
215.06987	1.0
217.07208	0.6
219.07974	1.3
220.06706	0.6
221.09669	2.8
223.07475	5.9
227.07106	0.7
237.09116	13.2
239.10660	7.3
241.08548	2.6
257.11707	9.1
261.12723	1.7
279.13846	5.4
297.14847	35.3
299.16422	9.8
313.27335	1.3
316.81250	0.6
361.19757	0.6
449.26813	9.7
456.09213	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1079
Annotation	Chrysanthemin
Peak:m/z	Relative Intensity
50.07538	0.1
57.03421	0.3
67.01881	0.2
69.03439	0.2
69.26559	0.1
69.77250	0.8
69.77654	0.2
71.04983	1.1
73.02883	0.2
85.02904	2.0
86.09673	0.1
89.03908	0.2
93.07073	0.2
93.12675	0.1
98.21454	0.2
107.04948	0.2
117.64681	0.2
120.08118	0.3
121.02868	0.2
129.05464	0.3
133.94646	0.2
135.04410	1.5
137.02338	0.8
153.01823	4.4
157.06505	0.1
161.02345	0.4
165.01923	0.2
171.02875	0.5
179.03386	0.2
187.95740	0.2
201.05473	0.2
203.03467	0.3
229.05014	0.4
241.04964	0.5
257.04388	0.3
269.04388	0.4
279.40732	0.2
285.04028	0.2
287.05490	100.0
288.05832	2.6
303.04980	7.9
304.04797	0.2
317.06613	0.8
449.10736	3.7
450.11142	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2299
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21201	1.5
53.03937	2.9
55.01864	2.7
55.05517	12.6
55.09242	1.6
57.03442	23.6
65.03947	2.0
67.05502	36.0
69.07065	10.1
71.04986	5.5
71.59894	2.0
79.05493	32.0
81.03425	2.1
81.07053	46.7
83.04990	3.5
83.08615	5.6
85.06548	2.8
91.04956	3.1
91.05476	29.5
93.07042	37.6
95.04971	4.1
95.08604	27.7
97.06539	5.2
97.10155	3.7
98.98463	55.8
99.08126	2.5
105.07024	24.3
107.08588	35.8
107.09289	2.9
109.06538	4.0
109.10151	26.4
111.08062	2.4
116.99525	4.0
117.07012	9.8
119.08575	21.2
121.10142	20.2
123.08028	2.1
123.11706	6.0
125.09612	3.4
129.06985	2.1
131.08589	11.3
133.10135	17.2
135.08005	1.7
135.11693	21.7
143.08548	3.0
145.10106	8.3
147.04442	2.9
147.11690	12.0
149.13280	8.4
151.11163	5.2
155.01025	5.1
157.10124	2.5
159.11710	11.2
161.13281	6.0
163.14729	1.8
171.11684	3.1
173.02058	10.5
173.13361	5.8
175.14844	5.5
177.05470	2.6
179.14304	2.6
185.13322	6.8
187.14764	5.4
189.16574	2.0
199.14822	2.1
201.16367	3.9
205.15996	1.9
211.07693	1.8
213.16385	2.2
221.19115	3.0
227.25351	1.8
229.14542	1.7
231.21054	2.2
241.19447	11.9
259.20627	17.0
277.21652	22.3
281.15390	10.0
285.13641	2.8
287.05515	6.3
293.21136	3.1
295.22678	2.0
299.16467	5.3
303.04532	2.3
332.29239	1.9
333.24234	16.9
351.25293	100.0
352.25720	5.8
449.27246	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2298
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.4
55.01865	4.8
55.05511	19.3
57.03437	10.0
57.07063	1.6
61.01138	1.9
65.03930	2.1
67.05505	47.2
69.03410	1.9
69.07069	13.9
69.67004	10.8
71.04990	3.6
71.08628	9.7
78.03787	2.5
79.05067	1.9
79.05493	30.2
81.07053	48.4
83.04960	4.9
83.08623	12.9
85.02873	1.5
85.06538	2.6
91.05476	21.1
93.07046	31.9
95.04956	7.4
95.08604	23.7
97.06535	6.8
97.10167	5.3
98.98464	34.2
99.08117	6.4
99.60411	1.3
102.03773	4.8
105.07037	19.2
107.04945	12.1
107.08591	27.7
109.06484	3.6
109.10156	18.0
111.08060	2.1
116.99554	1.5
117.07026	4.0
118.81084	1.2
119.04889	2.4
119.08569	10.7
121.10147	14.1
123.08047	2.4
123.11678	3.0
125.09622	5.3
129.07005	2.9
131.06439	2.5
131.08574	5.6
132.04778	1.9
133.10120	13.2
135.08076	1.7
135.11679	18.5
137.06049	1.3
137.09625	1.9
137.13246	3.2
139.11166	2.6
143.08559	3.4
145.10133	5.4
147.04378	5.9
147.11668	10.5
149.07416	23.6
149.09512	2.1
149.13229	6.8
151.11142	5.8
153.09106	1.9
154.26369	1.2
155.01076	3.8
157.10072	2.0
159.11700	7.0
161.13231	7.0
163.11203	3.5
165.12758	1.3
171.11710	3.8
173.02087	7.4
173.13261	2.9
175.14847	2.3
179.14308	14.4
185.13219	2.2
189.11189	3.5
189.12688	1.6
199.14818	2.7
211.67081	1.7
212.07289	1.3
227.12788	2.9
229.14314	1.7
235.16945	1.6
241.19589	8.1
259.20554	14.6
277.18771	2.8
277.21600	32.2
287.05527	7.3
295.22791	1.8
315.23181	1.5
333.24228	6.9
351.25284	100.0
352.25708	3.3
448.59396	2.7
449.24237	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	449.1077
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.4
55.01856	0.4
57.03421	1.0
61.02905	1.1
68.99785	0.8
69.03422	3.4
69.49640	2.5
71.04993	0.6
81.03408	1.7
85.02902	9.1
85.91794	0.3
91.03928	0.6
97.02888	3.7
98.01471	0.3
98.21508	0.6
99.04458	0.8
99.27502	0.3
103.17545	0.3
104.17742	0.3
105.03372	0.3
107.04917	0.6
109.02852	1.3
109.03582	0.3
111.00787	0.6
121.02891	2.3
127.03938	2.0
133.02936	0.4
137.02324	0.7
141.83781	0.3
145.04930	1.7
147.04387	0.4
153.01817	4.1
157.06496	0.4
165.01802	2.0
183.02849	0.8
213.05417	1.5
241.04916	1.0
258.05197	1.1
287.05490	100.0
288.05740	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	449.1077
Annotation	luteolin-4'-O-glucoside
Peak:m/z	Relative Intensity
51.10374	0.2
55.01872	2.5
57.03154	0.2
57.03433	3.4
59.04988	0.3
61.02901	0.8
65.03927	0.4
69.03431	2.0
69.43272	1.5
69.43690	0.5
71.01359	1.0
73.02914	2.5
79.37679	0.2
85.02898	2.3
87.04457	0.5
92.02603	0.9
93.03391	1.1
97.02872	0.8
101.68253	0.2
103.03938	0.4
115.03919	1.9
121.02847	0.9
126.03133	0.4
128.61571	0.2
133.04948	3.0
137.02275	0.3
137.06010	0.2
139.03905	0.7
147.04391	0.2
151.03897	2.1
153.01820	6.9
163.03862	0.3
165.01805	1.0
167.77275	0.2
175.46719	0.2
177.05478	0.3
179.03334	0.2
183.04420	0.3
187.03918	0.3
191.03297	0.5
191.24629	0.2
200.04619	0.4
201.05508	0.7
203.03392	0.5
217.04944	0.5
218.05731	0.5
228.04233	1.2
229.04903	2.9
231.02934	0.5
243.06389	0.3
245.04480	1.2
246.05220	1.2
256.03781	0.2
257.04425	2.2
260.03049	0.4
270.05588	0.2
273.03870	1.8
274.04675	3.9
277.18011	0.2
284.03180	0.6
285.03925	3.9
286.04599	0.3
287.02209	0.3
287.05478	6.1
288.05942	0.4
298.04785	0.3
299.05490	0.5
301.03503	0.3
302.04196	10.2
303.04834	0.7
313.07034	0.3
314.04135	0.9
315.05020	0.6
316.05753	0.5
317.06543	100.0
318.06860	3.6
325.06833	0.2
326.04083	0.3
327.04816	0.3
327.08606	0.3
328.05554	0.3
329.06558	5.2
330.06992	0.4
340.05673	0.4
341.06879	1.2
343.08179	0.8
353.06406	0.3
355.08035	1.0
359.07590	3.8
367.08148	0.9
371.07584	0.5
380.05420	0.2
383.07599	3.8
389.08481	0.5
395.07468	1.5
408.23569	0.2
413.08606	5.8
414.09048	0.4
431.09766	2.3
449.10828	4.2
450.11429	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1076
Annotation	Kaempferol-3-Glucoside
Peak:m/z	Relative Intensity
56.07667	0.2
57.03435	0.5
61.02640	0.3
61.02925	5.0
61.13813	0.2
62.28086	0.2
63.36481	0.2
68.99771	0.6
69.03430	1.4
70.98463	0.2
71.14043	0.5
73.02901	1.0
78.84701	0.2
81.03399	0.7
85.02901	5.4
91.03948	2.7
97.02889	3.0
106.64475	0.2
107.04926	0.5
109.02863	0.7
111.00808	0.8
121.02860	3.0
127.03923	1.1
133.02823	0.7
136.76259	0.2
137.02361	1.1
141.07007	0.2
145.04965	1.2
147.04378	0.7
153.01842	4.2
157.06512	0.4
161.05949	0.3
165.01825	1.9
170.45839	0.3
171.04369	0.4
183.02881	1.0
185.05936	0.6
208.92247	0.2
213.05438	1.7
231.06358	0.5
241.04965	1.0
258.05234	1.0
259.05817	0.3
287.05484	100.0
288.05783	2.2
299.05646	0.4
441.03311	0.2
449.17944	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	449.1079
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.5
55.01857	0.5
57.03445	0.9
61.02926	1.5
61.06824	0.2
61.46538	0.2
66.99178	0.1
68.99806	0.5
69.03431	2.7
70.37498	0.4
70.37907	0.5
71.04977	0.4
72.33557	0.2
73.02892	0.5
81.03424	1.6
83.01346	0.3
85.02903	9.3
87.04471	0.3
89.10628	0.2
91.03951	0.5
95.04969	0.2
97.02888	3.3
99.04455	0.7
105.03407	0.2
107.04978	0.4
109.02872	1.0
110.20957	0.2
111.00790	0.8
121.02859	2.7
127.03909	1.8
133.02859	0.4
137.02327	0.6
145.04945	1.9
147.04407	0.5
153.01830	3.6
157.06487	0.5
165.01846	1.4
171.04399	0.3
183.02881	1.1
185.05992	0.7
203.07065	0.2
213.05426	1.1
231.06558	0.8
241.04964	0.8
258.05270	0.9
259.06116	0.4
287.05490	100.0
288.05826	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1813
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.3
55.01849	1.0
55.90750	0.8
57.03435	40.8
60.30152	0.9
61.02924	15.2
69.03426	36.2
70.84084	2.6
71.01359	3.8
71.05001	1.5
73.02915	100.0
81.03410	3.6
81.12748	1.0
85.02900	64.1
87.04454	4.0
91.03943	3.9
91.05497	1.0
93.61252	1.0
95.33578	0.8
96.04465	1.7
96.51885	1.0
97.02888	57.4
98.06024	0.9
99.04425	2.9
107.04935	1.7
109.02869	3.7
115.03925	70.8
116.04235	1.4
119.04973	1.5
121.06503	3.4
127.03911	29.0
132.06561	4.5
133.04962	25.7
133.06506	1.5
137.06000	4.7
144.06572	1.1
145.04955	42.4
146.05315	1.0
150.07610	15.3
154.08556	1.0
157.06488	1.3
161.05980	3.9
162.07635	1.1
163.06003	18.7
173.06018	2.2
180.08640	5.1
181.07059	0.8
185.05946	2.6
193.04945	1.5
199.05899	1.2
203.06920	4.6
205.80428	0.9
215.06978	3.1
223.06036	8.9
233.08093	3.2
241.07048	12.8
245.08139	1.4
251.09198	2.2
259.08130	13.5
263.09262	1.3
281.10190	12.4
286.10529	1.3
295.10211	17.1
316.13849	7.3
448.18143	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1077
Annotation	Kaempferol-3-Glucoside
Peak:m/z	Relative Intensity
53.03927	0.6
54.74085	0.2
55.01865	0.4
57.03421	0.5
61.02925	4.5
68.99773	0.6
69.03423	2.0
69.39541	1.0
69.39970	0.7
71.04969	0.7
73.02917	1.2
79.05468	0.2
81.03415	1.0
85.02901	7.7
91.03951	2.5
95.08590	0.3
95.66408	0.1
97.02892	3.3
97.71074	0.2
99.04465	0.4
105.03389	0.2
107.04943	0.6
109.02874	0.8
111.00780	0.6
115.03919	0.4
121.02860	3.6
127.03905	1.5
128.06340	0.2
133.02840	0.6
137.02351	1.1
137.05983	0.3
141.07005	0.3
141.51161	0.2
145.02798	0.4
145.04948	1.3
145.06400	0.3
147.04407	0.6
153.01820	4.3
157.06458	0.4
158.78098	0.2
161.05933	0.3
165.01837	1.9
171.04407	0.2
183.02895	1.1
185.05977	0.6
189.05400	0.3
197.05913	0.2
198.27390	0.2
199.04050	0.2
213.05447	1.4
217.04691	0.2
225.06395	0.2
229.04832	0.2
231.06544	0.6
241.04938	0.9
241.08646	0.2
243.06538	0.2
258.05197	1.3
259.05942	0.5
269.20923	0.2
287.05487	100.0
288.05844	2.3
292.19922	0.2
299.05502	0.5
303.04953	1.8
329.06448	0.2
335.76724	0.2
353.06482	0.3
367.24399	0.2
449.10522	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2166
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.7
55.01869	0.3
55.05500	0.8
57.07071	1.2
58.81705	0.2
65.03947	0.8
66.04713	0.1
67.05502	5.7
69.07066	1.3
70.52073	0.6
71.08628	0.5
79.05486	7.0
81.07051	100.0
82.07384	0.8
83.08604	0.2
91.05452	0.9
91.30106	0.2
93.07037	1.0
95.04974	0.8
95.08599	18.1
98.20797	0.2
103.05468	0.2
105.07018	0.4
107.04950	1.6
107.08585	0.7
109.10148	1.0
111.04457	2.0
115.05447	0.6
115.16567	0.2
117.07006	1.1
119.04943	1.2
121.02860	14.5
122.03165	0.2
123.04409	0.3
127.05534	0.2
131.04932	0.6
131.08568	0.4
133.10106	0.2
135.11668	0.9
137.13248	21.9
143.04973	0.3
145.06473	2.2
147.04395	6.0
149.02327	0.3
155.06073	0.2
157.10205	0.2
159.04430	0.7
161.05959	0.3
163.03854	0.5
167.08618	0.3
171.04346	1.9
173.05983	0.3
177.06964	0.3
179.08592	0.2
181.06487	0.4
189.05434	1.2
190.07823	0.2
191.03331	0.2
191.06941	0.8
191.08572	0.6
194.07260	0.3
195.08101	1.0
197.05974	1.3
199.03897	1.1
199.07625	0.4
202.07794	0.2
203.08572	0.3
205.06503	0.4
207.08083	0.3
209.05992	0.7
209.09616	0.7
217.04976	0.8
218.07224	0.2
219.08047	2.6
221.09579	0.4
223.03926	0.5
223.07475	1.9
231.08028	0.7
233.05927	0.3
234.06831	0.2
235.07410	0.3
237.09097	3.5
247.07535	9.3
248.08179	0.5
249.09047	0.5
250.06250	0.5
251.07045	1.8
253.04971	0.3
265.08582	7.0
267.10120	0.4
269.08127	0.3
275.07053	0.3
283.09628	0.7
293.08047	1.8
311.09116	47.5
312.09439	1.1
429.33615	0.2
447.21594	4.6
447.31042	0.3
466.23059	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.3469
Annotation	Gibberoketosterol
Peak:m/z	Relative Intensity
52.63537	2.0
54.73468	1.8
55.05507	10.8
57.07069	7.6
60.49055	1.7
69.07069	25.4
70.81297	4.7
70.81660	3.9
71.08628	5.6
79.05499	3.7
81.07053	67.8
83.04976	2.0
83.08624	16.1
93.07039	3.8
95.08612	15.8
95.12937	2.0
97.10162	8.5
101.72628	2.2
109.10155	6.0
111.11692	5.9
114.32216	2.1
117.07077	2.7
119.08612	2.2
121.02876	4.5
123.11724	4.3
124.91483	2.0
125.13197	2.5
137.05983	6.2
137.13251	19.3
151.07542	21.3
155.04919	2.4
157.06497	2.0
161.05980	2.9
161.09651	2.9
165.05495	9.2
165.09117	6.2
167.07037	100.0
175.07545	3.1
177.09161	4.2
179.07047	3.9
179.10619	3.8
181.08539	3.8
189.09085	3.0
191.07082	4.4
191.10635	3.1
193.08638	5.8
203.10651	5.2
205.08565	9.3
207.10178	12.4
219.10205	6.3
221.11743	4.1
233.11618	3.0
248.62381	2.0
251.07143	11.2
288.93588	2.2
293.08133	10.9
311.09128	8.0
338.56381	2.5
411.32544	4.0
418.07300	2.5
429.33511	17.0
447.21548	3.8
447.34717	29.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1859
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	2.2
57.03440	12.9
61.02920	2.6
64.87863	1.1
66.37328	1.1
69.03430	6.2
70.03525	6.2
70.03825	1.2
71.01332	1.6
71.04995	35.6
72.08136	1.9
73.02919	6.3
74.06081	1.2
75.04480	10.1
81.03405	2.4
83.04965	8.5
85.02906	100.0
86.09708	2.4
87.04456	2.1
91.05840	1.5
93.07013	1.4
97.02901	7.7
97.22409	1.0
101.07147	1.4
103.03928	1.5
103.53959	1.0
107.04957	1.6
109.02896	1.6
111.04430	3.8
114.07341	1.1
116.98624	1.8
117.07026	3.3
121.06501	14.2
127.03909	5.8
129.05486	28.0
131.08545	2.0
135.08061	2.6
138.05531	1.3
141.06976	2.4
145.04984	5.6
145.06485	7.1
147.06520	24.5
147.07787	1.4
151.07565	3.3
157.06448	2.0
159.08041	5.1
163.06136	2.8
163.07559	5.6
165.07578	2.0
169.06465	1.3
175.07550	5.5
179.06943	1.5
183.08122	1.3
185.05962	1.7
187.07558	20.8
189.09096	2.0
201.09108	1.3
205.08632	16.4
217.08653	1.8
229.08640	3.7
231.10132	3.1
237.02907	1.6
247.09720	3.4
255.08698	1.8
265.10663	4.8
267.09052	1.8
267.12183	2.3
276.73776	1.2
284.77936	1.3
285.09912	1.8
309.11832	2.8
342.50110	1.2
405.14487	2.3
433.23108	1.1
447.16028	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	447.1858
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48410	1.0
53.03939	1.4
55.01871	1.8
55.05508	3.6
57.03437	9.1
61.02918	2.4
69.03423	7.5
69.07018	1.3
69.58118	6.4
69.58538	2.3
71.01345	0.9
71.04990	34.0
71.60612	0.9
72.08150	5.9
73.02921	5.7
74.06059	2.1
75.04465	10.6
75.59966	1.0
81.03417	2.1
83.04984	7.5
85.02899	100.0
86.09711	2.9
87.04478	3.0
91.05436	1.4
91.05840	1.1
95.04921	1.2
97.02886	9.2
98.97581	4.1
99.05624	1.1
103.03934	2.0
107.04949	1.4
107.08592	1.8
109.02869	2.2
111.04447	4.4
115.03937	1.0
115.05403	1.3
116.98618	2.5
117.06998	3.2
121.06511	14.9
127.03903	5.1
128.40092	1.0
129.05478	31.3
131.08549	3.2
133.06494	1.3
135.08073	1.5
141.06941	1.2
145.04947	4.7
145.06490	7.4
147.06497	24.5
149.02367	1.3
151.07539	3.4
157.06500	0.9
159.08072	7.8
161.05917	1.3
163.06076	2.8
163.07567	6.5
165.07614	1.1
175.07509	5.4
177.00768	1.4
179.07045	2.3
183.08115	0.9
187.07539	18.2
201.09145	1.5
203.07098	1.0
205.08568	15.0
217.08621	1.3
219.01736	1.3
225.07816	1.3
229.08511	4.8
231.10202	3.9
233.14961	3.4
235.09563	1.4
243.08954	1.8
247.09674	4.6
255.08516	1.6
259.68082	1.1
265.10745	3.8
267.09039	1.0
267.12292	2.6
285.10101	3.0
309.11743	2.8
316.14340	1.2
405.13910	2.0
447.15500	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	446.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.0
55.01862	2.3
57.03435	48.4
59.05001	1.1
61.02404	0.9
61.02922	18.9
69.03426	58.1
69.53896	6.8
69.54309	2.0
71.01344	4.7
71.04988	2.9
72.04493	1.4
73.02915	100.0
81.03411	14.5
83.01360	1.3
85.02902	88.1
87.04466	2.8
91.03942	2.5
91.05482	1.6
96.05111	1.0
97.02891	42.8
97.03516	2.4
97.63713	0.9
98.20747	1.9
99.04459	9.9
101.02384	2.1
102.73081	0.9
103.03922	4.2
109.02845	5.0
115.03923	55.0
127.03917	38.0
129.06961	1.2
131.04927	1.6
132.06572	4.9
133.04951	21.5
135.08040	1.7
144.06564	1.5
145.04955	39.6
147.04404	4.7
147.07990	1.5
148.04747	2.5
150.07616	9.5
160.05196	1.9
162.07570	5.1
163.06012	70.4
171.08081	4.9
173.04449	2.1
175.07423	1.6
180.08656	7.6
181.07071	4.6
181.08519	1.4
199.05968	2.0
199.07672	1.6
201.09036	6.4
204.08687	1.5
205.06932	1.4
213.07565	2.2
241.07065	57.3
243.10229	2.1
259.08163	3.5
261.11261	4.6
277.09122	5.2
294.11661	1.4
295.10294	6.4
295.95004	1.2
295.99838	1.1
303.04984	17.4
312.12778	1.1
314.15887	1.4
332.68881	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.0924
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79786	0.2
53.03933	0.4
55.01874	0.4
55.05518	0.4
57.03444	0.3
59.05000	0.3
63.47175	0.3
65.03927	0.3
67.05504	0.4
69.03428	0.8
69.07061	0.7
71.06349	0.7
72.94677	0.2
73.02919	13.6
78.90543	0.2
79.05475	0.7
79.06921	0.3
79.17467	0.2
81.03420	1.3
81.07048	0.8
83.08599	0.4
85.02896	1.2
85.06517	0.3
87.04464	1.6
88.01278	0.3
89.03891	0.3
91.05464	1.0
93.03384	0.3
93.07047	1.3
95.04922	0.4
95.08612	0.9
97.02877	0.6
97.10134	0.3
99.04464	0.7
105.06992	0.5
107.04948	0.6
107.08566	0.3
109.02881	1.1
109.10142	0.5
111.00799	1.0
111.04448	0.5
111.11787	0.3
119.04922	0.6
119.08574	0.6
121.02849	1.1
121.06483	0.5
121.10114	0.9
122.44599	0.3
123.04449	0.6
127.03909	0.9
128.06247	0.3
131.04916	0.4
131.08563	0.7
133.10182	0.3
135.04390	0.9
135.11667	0.5
137.02344	3.0
137.06021	1.4
138.05438	0.4
147.04391	2.3
147.11765	0.3
149.02318	0.9
149.05965	1.0
151.07506	0.6
153.01808	3.9
153.05334	0.3
155.08456	0.3
161.05966	1.2
163.03911	3.7
163.07565	0.5
165.01807	1.7
165.05492	0.4
167.06978	0.7
173.05989	0.6
175.07494	0.3
181.04967	0.5
181.08559	0.4
183.02850	1.0
183.04346	0.4
187.03986	0.4
189.09085	1.5
191.03374	0.3
191.07050	0.4
195.02782	0.3
195.08113	0.3
201.05502	1.8
225.04172	0.3
229.04967	3.9
247.06081	0.6
257.04443	2.8
273.03714	0.3
274.04715	0.9
285.04010	1.4
285.14786	0.4
287.05487	0.6
299.91318	0.3
302.04181	0.4
303.04990	100.0
304.05353	1.9
447.17685	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.166
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83834	0.5
53.03944	3.0
55.01869	16.4
57.03435	6.0
59.52081	0.5
61.02928	4.8
68.99793	3.9
69.03429	22.7
69.08455	0.5
70.77116	0.6
70.77466	1.8
71.01339	0.6
71.04984	4.6
71.05892	0.5
73.02913	8.2
75.30149	0.7
81.03414	13.5
83.01336	0.8
85.02903	100.0
87.00829	15.6
87.04456	0.7
91.03952	1.2
91.05465	1.4
93.07067	1.3
97.02895	14.1
99.04448	16.6
101.02378	1.2
103.03965	0.6
103.05461	3.4
105.01865	10.0
105.07042	0.7
107.04961	1.6
108.04515	0.6
109.02878	20.5
115.03929	1.4
117.01860	1.9
117.05492	0.7
119.04961	1.2
121.06506	7.2
125.02358	1.2
127.03913	58.3
129.01849	5.9
131.04878	0.7
135.08069	0.8
137.05984	1.8
140.04681	9.7
145.04959	38.2
147.02873	5.4
147.04440	1.2
149.05975	5.5
153.01913	0.6
153.05441	4.7
159.02901	11.6
159.04115	1.2
163.07549	1.2
177.03915	0.9
181.08589	34.2
182.70747	0.6
189.03929	0.8
205.08694	2.6
206.31650	0.6
213.03873	3.6
231.04990	18.3
231.07201	0.9
247.09662	3.2
248.07661	1.0
249.06104	6.1
271.09583	1.1
289.10657	3.2
446.17920	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	10.5
55.01867	10.5
57.03440	7.6
58.73283	1.5
61.02923	5.9
63.89080	1.7
68.99785	3.8
69.03426	36.9
69.39819	14.2
71.01360	1.5
71.05000	8.0
73.02911	11.7
81.03413	33.6
81.07075	1.7
84.11031	1.6
85.02901	100.0
85.30727	1.4
87.00831	32.3
91.03970	2.0
91.05462	3.0
93.07032	3.5
97.02883	49.0
98.20842	2.3
99.04450	18.8
103.05487	3.6
105.01862	34.2
107.04927	3.4
108.04507	2.9
109.02877	34.0
115.03954	2.8
116.74073	1.4
117.01777	3.4
119.04984	3.4
121.06521	14.0
125.02315	2.1
126.05532	2.7
127.03912	81.4
129.01845	4.7
137.05934	3.2
140.04675	13.9
145.04955	48.1
147.02907	4.5
147.04395	3.8
149.05980	13.8
151.07600	1.8
153.05443	9.8
159.02875	31.4
159.04099	2.9
163.03874	1.5
177.04048	2.4
181.08589	66.8
189.03938	3.2
205.08752	7.4
213.03987	3.4
218.67548	1.6
231.05011	21.5
247.09709	3.6
267.61734	1.8
289.10895	2.8
381.16754	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52336	0.5
55.01869	1.3
57.03437	15.8
58.02967	3.4
60.04516	1.3
61.02931	5.6
62.61686	0.6
69.03073	1.0
69.03426	13.6
70.09889	2.5
70.42196	0.5
71.01343	2.2
71.04990	1.7
72.08143	2.3
73.02917	33.0
73.04742	0.8
79.05471	0.7
81.03392	1.8
84.04530	0.8
84.08157	0.7
85.02905	28.1
86.09706	2.2
87.04463	1.6
91.03942	0.9
91.05818	3.6
95.04976	3.6
97.02894	22.2
99.04454	0.9
106.06543	2.7
107.04951	7.0
109.02891	2.5
115.03162	1.1
115.03930	17.9
115.04741	0.9
118.06540	0.9
119.04910	1.1
120.04480	1.0
121.06474	0.8
123.04441	1.0
127.03909	6.3
133.04942	4.6
134.06006	4.4
135.06799	21.8
137.05946	1.5
138.05466	1.4
145.04961	6.6
147.04405	0.7
152.07063	100.0
153.07439	1.0
163.03949	1.3
163.06056	1.5
167.05618	1.5
221.81758	0.6
223.06029	1.4
234.09175	1.0
241.06911	0.7
246.14508	0.7
255.60921	0.7
266.11740	4.1
314.12259	1.3
360.02734	2.7
446.14359	1.4
466.00256	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.1479
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.7
55.01865	4.8
57.03416	2.7
61.02910	2.9
63.73161	1.0
69.03423	7.8
70.06591	12.2
70.55441	2.1
70.55795	1.5
71.04976	0.9
71.06920	1.2
72.08135	2.5
73.01150	1.7
73.02902	1.0
79.05478	1.0
81.03407	4.8
85.02902	26.0
86.06046	0.9
86.09689	3.8
88.03970	1.8
91.03928	1.4
91.05463	3.8
93.07028	3.4
94.04172	2.0
97.01099	1.9
97.02861	7.4
99.04433	2.5
103.05470	10.3
105.07026	5.0
107.04931	2.7
109.02887	4.2
115.05466	2.1
115.08690	1.6
116.06269	0.9
116.07092	0.9
119.04957	1.5
120.01205	1.1
121.01065	0.9
121.06490	20.2
123.04416	1.2
125.00574	9.7
126.01342	5.6
126.49466	0.8
127.03893	5.4
131.04910	3.7
133.06447	3.1
134.06291	0.8
134.07274	3.1
135.02640	1.4
138.04594	0.8
138.05482	6.0
139.02112	6.0
144.05678	1.2
145.04924	2.8
147.04356	1.3
148.05190	1.1
149.00542	3.8
149.04170	1.9
149.05984	23.2
153.00047	100.0
154.00830	63.9
161.04156	3.1
161.05942	1.6
162.06752	4.1
163.02138	1.9
167.01602	7.4
167.05295	4.6
177.03717	3.3
178.48344	0.9
180.02400	1.2
189.03688	4.9
189.05200	1.0
193.03171	3.8
195.04750	71.5
196.05225	1.4
197.06462	1.0
197.08154	1.2
200.13831	0.9
213.12303	3.6
221.06322	3.3
238.08957	2.6
267.06842	77.5
275.67892	0.8
284.09497	78.1
285.09775	2.5
299.40958	0.9
326.10611	1.2
359.02643	0.9
393.37125	0.9
410.12259	1.9
428.13501	1.1
446.14584	3.7
446.20166	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1102
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20636	4.7
56.96570	23.0
57.03436	24.1
57.03659	4.5
61.02914	11.8
69.03426	19.9
70.06579	6.7
70.66629	14.9
71.04996	28.7
72.08176	4.4
73.02912	44.6
79.64240	5.1
83.04958	4.3
84.04449	5.2
84.08129	4.8
85.02901	58.4
86.06042	15.6
86.09698	4.9
91.05453	20.6
94.57243	3.9
97.02878	25.2
98.97565	42.0
102.96833	4.4
104.01255	5.8
107.04922	12.2
109.02865	5.1
110.97578	5.3
112.99113	22.1
115.03912	10.5
116.98611	25.5
119.01943	4.3
119.04921	19.3
121.06484	11.2
127.03908	17.1
128.98602	15.1
129.05470	8.3
131.00154	42.4
132.06522	5.1
134.99614	9.1
137.05922	20.3
143.00130	7.4
145.04935	6.8
146.99626	11.3
149.01227	38.2
151.07538	18.0
158.99643	6.8
161.01180	13.3
161.02927	12.0
162.99074	5.5
163.02654	5.8
163.03896	4.3
167.02235	7.2
170.99620	6.2
173.02936	9.8
175.02791	6.3
177.00700	15.7
178.03796	4.9
180.99843	4.7
185.02960	4.2
187.04373	6.5
189.00703	11.8
193.03758	22.2
200.04562	4.9
201.00693	4.9
211.02834	5.7
211.04843	14.7
219.01793	15.8
221.04970	6.2
223.01134	7.1
223.04849	24.0
231.07321	5.2
236.06091	4.7
237.02780	19.4
241.05911	7.7
242.06183	10.3
245.05055	5.9
247.04904	7.5
251.06810	8.4
265.02054	6.3
265.05908	34.5
265.08514	6.3
272.06433	5.2
275.07852	11.3
275.58020	5.2
281.07166	7.0
283.07138	6.0
291.03894	24.7
295.07056	9.8
309.04810	65.7
332.09378	6.7
339.09711	6.2
339.58725	5.5
348.10559	17.8
348.60794	5.4
359.02853	6.5
373.07910	5.3
445.10959	100.0
445.17789	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	443.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	1.7
67.05503	1.5
69.03432	3.3
71.58763	1.7
72.08141	1.3
73.47952	1.2
76.78554	1.2
79.05487	3.3
81.03408	3.1
85.02890	4.2
86.09692	1.8
89.61001	1.4
91.05470	3.5
93.07044	2.1
95.04965	4.3
95.08568	1.4
97.02905	2.0
97.06552	1.8
98.06055	1.7
99.04457	1.6
105.07015	3.7
107.04955	100.0
107.08599	2.6
108.05306	2.2
109.06530	2.6
111.04462	3.3
115.05495	1.8
117.03307	1.3
117.07007	1.7
119.08565	5.1
121.06491	3.5
123.04412	2.9
123.08095	2.7
129.06953	2.7
131.04944	2.4
131.08542	4.5
133.06496	2.8
133.10121	1.5
135.04436	3.4
135.08060	63.9
137.05988	4.6
143.08559	2.7
144.09331	1.9
145.02869	2.0
145.06436	1.8
145.10097	2.3
147.04395	2.8
147.07945	2.2
149.05943	2.1
151.07480	2.1
155.61139	1.1
156.09352	5.1
157.10048	1.7
158.07375	1.8
159.08051	4.1
159.11749	7.1
161.05989	2.8
161.09566	1.7
163.03944	13.3
163.07565	1.7
165.05492	2.6
165.09209	1.9
171.04420	1.9
171.08018	1.6
171.11681	2.8
172.08852	6.5
173.09645	10.4
175.03932	2.1
175.07600	3.0
175.11139	2.6
181.10097	1.6
185.09608	1.3
186.10123	1.3
187.04012	2.2
187.11176	25.5
189.05383	1.6
189.09065	1.5
189.12883	2.3
193.04939	1.8
199.11188	5.8
203.07022	1.9
203.10634	5.2
205.04964	6.2
215.07106	1.4
215.10703	17.9
217.04921	2.5
217.08563	1.6
217.12268	4.0
221.04482	1.5
223.05917	1.6
227.10701	4.8
231.06442	2.5
233.11720	33.3
245.08115	2.9
245.09201	1.6
245.11751	20.3
247.06036	3.0
259.06070	5.6
263.09537	2.6
263.12808	26.8
271.05756	1.6
277.07010	2.2
281.13602	1.4
281.24905	1.3
289.07080	4.3
301.07062	2.6
311.09201	2.8
319.08310	2.7
329.10168	5.1
337.09378	2.0
365.10184	4.5
377.10123	2.5
379.11911	1.7
395.11279	15.6
407.11203	4.9
407.17593	1.2
425.12277	4.1
443.13095	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	441.246
Annotation	Lys Phe Phe
Peak:m/z	Relative Intensity
51.85647	0.3
55.61078	0.3
62.75373	0.3
62.83774	0.3
70.06580	0.7
70.79665	0.9
74.74030	0.3
81.07063	0.4
91.05457	0.4
101.06786	0.3
105.07030	0.4
119.04984	0.4
133.23186	0.3
135.04367	0.4
143.92372	0.3
147.04431	1.1
149.07420	0.6
160.65564	0.3
163.03870	1.2
184.07249	0.4
201.03696	6.9
203.05273	7.5
243.17143	0.5
261.18289	2.7
263.19821	7.9
289.05246	0.9
355.17270	0.5
397.18201	1.5
423.15811	0.3
441.17639	8.2
441.24579	100.0
442.18390	0.7
442.24997	5.8
442.30917	0.2
443.58948	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1702
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74192	1.8
55.05505	3.2
56.12299	1.8
57.02775	1.7
57.03419	1.9
57.33280	1.9
65.03940	2.0
67.05493	3.8
69.03429	3.9
70.03909	5.0
70.04314	3.5
71.04966	1.9
78.04716	4.9
79.05499	5.2
81.07053	7.8
83.04979	3.4
83.08613	2.8
85.02905	3.2
85.06571	1.8
91.05482	12.7
93.07052	4.9
95.04972	4.8
95.08605	4.9
98.97639	1.8
100.11261	4.5
103.05489	3.8
103.81049	2.1
105.07029	14.7
106.40623	2.1
107.04959	7.6
107.08596	4.4
109.06551	2.8
109.10158	6.1
110.03659	2.9
111.04475	4.9
112.22892	2.0
115.05463	7.4
117.07008	3.5
119.04967	4.6
119.08586	7.4
121.06517	3.2
121.10152	2.8
123.04404	8.3
123.11754	2.8
124.05208	3.7
125.06007	2.9
128.06252	3.8
129.07021	6.1
131.04945	5.5
131.08530	3.2
132.05737	4.9
133.06499	6.8
135.11679	4.5
137.06015	8.0
137.09631	4.4
144.05681	2.8
145.06488	2.1
147.04419	7.2
147.08041	6.5
149.05952	3.0
149.09674	2.5
151.03899	2.5
151.07539	17.2
152.04657	4.0
153.05464	8.8
156.05722	3.1
159.08037	13.4
160.05196	4.7
161.05992	14.8
163.03940	5.7
165.05504	4.4
165.09113	25.0
166.06252	2.7
167.07048	97.2
170.15390	6.0
171.04474	2.4
172.05237	5.4
175.07530	34.8
182.15306	2.7
184.05229	4.9
186.06862	3.1
187.07526	23.7
189.07005	2.4
190.07779	3.5
191.07021	4.1
191.08614	5.3
198.14867	5.2
199.07497	20.7
199.15140	4.0
202.07837	3.5
203.08607	4.6
205.06584	2.8
205.12213	3.0
206.07115	2.4
207.06450	3.4
207.08154	2.4
209.08073	2.6
210.14883	3.3
211.07649	3.7
211.15181	2.8
217.06648	2.5
217.08511	2.5
218.07323	4.1
219.08168	9.9
219.10001	3.0
221.09709	3.3
225.09203	3.0
229.08607	5.1
231.08087	5.9
232.07063	5.4
233.06049	3.3
233.09671	4.1
234.06775	4.6
235.07535	7.2
236.08286	4.0
237.09114	3.9
239.09154	12.2
247.07693	5.8
248.08353	5.5
249.09148	8.2
250.09985	2.9
251.06943	3.3
251.10748	3.5
253.08528	4.7
259.07593	3.7
260.08447	2.2
261.05264	2.4
261.09134	6.2
262.09973	2.2
263.06989	4.9
263.10751	4.3
264.07834	5.5
265.08624	8.5
275.07065	4.6
276.07849	6.8
277.08603	9.1
278.09427	3.7
279.06580	2.0
279.10190	8.7
280.11020	2.4
281.11710	3.6
290.09454	3.1
291.10150	2.9
292.07397	2.8
292.10956	2.2
293.08133	4.6
293.11691	3.2
297.11267	2.6
305.08221	4.6
305.11557	2.3
307.09625	5.9
308.10361	4.5
309.11111	4.5
311.12943	3.1
319.09677	7.5
320.10495	4.5
321.07986	2.2
321.11078	9.5
323.12836	4.6
324.13596	7.2
336.13699	3.3
337.10846	2.4
339.12286	100.0
340.12869	17.5
351.12250	19.1
352.13007	8.8
353.13727	2.6
383.14752	3.6
395.14969	4.1
407.15152	2.4
413.16013	3.3
425.15933	5.9
425.32053	7.1
443.17062	15.7
443.26666	4.6
443.33200	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	441.2458
Annotation	Unknow
Peak:m/z	Relative Intensity
69.01115	0.3
69.03455	0.3
71.59840	0.6
71.60207	0.3
79.05481	0.5
79.15131	0.3
81.03407	0.4
81.98145	0.3
84.08204	0.3
85.02896	0.7
93.07052	0.4
95.04968	0.3
95.08596	0.4
98.97591	0.3
99.04465	0.3
100.11258	0.6
105.07037	0.5
107.04949	0.4
107.08601	0.4
111.04451	0.5
119.04917	0.3
120.08085	0.3
121.10156	0.3
133.10071	0.4
145.02789	0.4
147.04396	0.7
150.76382	0.3
163.03973	0.4
170.15407	0.7
175.08971	0.3
177.05431	0.4
182.15269	0.3
198.14879	0.9
202.01007	0.3
203.05231	1.2
205.76511	0.3
210.14903	0.5
244.20148	0.3
354.53000	0.3
397.18375	0.8
441.24579	100.0
442.19324	0.6
442.24976	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	441.1731
Annotation	Unknow
Peak:m/z	Relative Intensity
54.84479	0.3
55.18200	0.3
68.55227	0.3
70.06577	1.5
71.16699	0.7
75.32106	0.3
81.07056	0.3
91.05479	0.5
93.07033	1.0
94.29238	0.3
95.08588	0.6
99.54774	0.3
102.19047	0.4
107.08581	0.5
109.10154	0.5
119.08563	0.4
135.11641	0.4
147.04396	0.6
175.10976	0.6
185.04205	0.9
192.93343	0.3
193.11967	0.7
203.05290	2.0
203.06932	0.4
206.66891	0.3
227.05191	2.1
243.17107	1.0
245.06291	3.7
271.04205	1.9
289.05270	12.9
355.17273	3.7
356.17389	0.4
379.17209	0.6
388.36053	0.4
397.18326	15.9
398.18649	0.6
423.16302	1.8
441.17316	100.0
442.17694	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1731
Annotation	Lys-Trp-OH
Peak:m/z	Relative Intensity
54.84479	0.3
55.18200	0.3
68.55227	0.3
70.06577	1.5
71.16699	0.7
75.32106	0.3
81.07056	0.3
91.05479	0.5
93.07033	1.0
94.29238	0.3
95.08588	0.6
99.54774	0.3
102.19047	0.4
107.08581	0.5
109.10154	0.5
119.08563	0.4
135.11641	0.4
147.04396	0.6
175.10976	0.6
185.04205	0.9
192.93343	0.3
193.11967	0.7
203.05290	2.0
203.06932	0.4
206.66891	0.3
227.05191	2.1
243.17107	1.0
245.06291	3.7
271.04205	1.9
289.05270	12.9
355.17273	3.7
356.17389	0.4
379.17209	0.6
388.36053	0.4
397.18326	15.9
398.18649	0.6
423.16302	1.8
441.17316	100.0
442.17694	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.173
Annotation	Lys-Trp-OH
Peak:m/z	Relative Intensity
50.36295	0.5
70.06590	1.1
70.13681	2.3
70.57465	0.5
84.04488	1.0
85.02846	0.6
86.09719	0.7
91.05463	0.7
93.07032	2.6
107.08585	1.2
135.11736	0.9
138.58737	0.5
151.03664	0.7
151.04803	0.5
185.04221	1.0
193.11987	4.9
203.05273	2.1
227.05309	2.2
245.06291	5.1
271.04214	6.9
289.05280	20.6
337.16254	1.0
355.17255	1.6
356.76608	0.6
376.50851	0.6
379.17267	1.4
397.18396	9.5
398.19202	0.6
423.16156	5.8
441.17310	100.0
442.17511	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1729
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04981	0.6
59.48045	0.4
70.77775	0.8
70.78146	0.8
76.57157	0.4
81.03392	0.6
88.28294	0.6
95.08607	2.0
109.10133	0.6
137.05939	0.7
147.04427	1.1
154.22052	0.4
159.46039	0.4
185.04149	0.6
203.05254	2.8
203.06804	0.6
227.05183	1.3
245.06343	7.7
271.04147	1.5
289.05276	84.8
290.05612	1.2
296.27740	0.5
397.18289	5.3
420.46259	0.4
423.16214	3.5
441.17307	100.0
442.17636	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	441.1366
Annotation	Ginkgolide C
Peak:m/z	Relative Intensity
56.96559	0.5
63.78320	0.3
65.97606	0.3
69.15269	0.3
70.51901	1.1
70.67182	0.3
72.08187	0.3
72.42212	0.3
85.02892	1.1
85.06339	0.3
97.02887	0.4
98.21003	0.4
98.97533	0.6
107.04949	1.5
113.85187	0.3
115.03850	0.3
127.03890	0.4
127.47419	0.3
128.98643	0.4
143.45732	0.4
146.99559	0.3
163.03929	0.5
222.02235	0.3
231.30800	0.4
235.64241	0.3
237.02863	0.8
258.18875	0.3
280.69434	0.3
309.09213	0.5
317.08282	0.9
341.77338	0.4
365.87057	0.3
441.13663	100.0
442.14053	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1432
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96560	16.5
70.84898	4.7
79.05476	2.5
81.07054	12.8
83.04921	1.4
84.96033	6.9
93.07026	3.9
95.04914	1.6
95.08598	4.6
98.97576	80.4
101.93790	1.5
102.29480	1.5
105.07034	2.3
107.08619	1.9
109.10155	1.9
110.97562	4.1
112.99136	11.0
116.98618	61.5
119.08585	2.6
121.10168	1.3
123.11697	1.3
128.98570	9.7
131.00156	25.2
134.99649	35.7
137.13319	2.1
139.61705	1.7
140.00175	6.6
140.98564	1.9
142.96458	1.4
143.00156	2.0
144.98096	5.0
146.99652	9.1
147.04434	2.8
149.01230	27.3
151.07549	1.9
153.00734	3.9
158.01234	4.1
158.98315	1.7
158.99641	32.9
160.97562	3.4
161.01227	6.5
162.99179	7.2
165.09077	2.5
167.02281	3.5
167.07059	1.5
170.01245	2.2
170.99628	5.0
172.02805	3.9
173.01215	19.4
177.00700	53.8
178.98605	2.0
189.00710	5.3
191.02254	27.6
195.01718	6.7
200.02361	7.1
201.00728	5.3
202.98665	8.2
205.12163	1.7
209.03423	2.7
214.03796	3.6
219.01743	21.6
220.99716	2.0
237.02798	40.6
242.03305	2.8
244.99760	7.9
255.03954	3.8
260.04388	2.9
263.00705	2.1
298.77716	1.4
337.10577	2.5
355.14255	66.9
367.11859	6.1
368.12778	2.1
373.15323	100.0
374.15634	1.9
387.11194	1.5
396.17010	7.0
397.15317	65.7
398.15286	1.8
415.16397	67.6
415.22009	3.3
416.16931	2.4
441.14984	23.8
441.25327	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.0917
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96290	1.8
56.96557	23.0
57.03439	5.8
61.02916	2.4
69.03411	5.4
71.04985	2.8
71.12833	2.1
71.13158	1.7
73.02914	9.7
84.96039	9.4
85.02898	12.7
91.05460	3.7
93.07008	1.7
97.02860	7.5
98.97578	91.2
102.97004	2.5
109.02860	1.2
110.97555	20.5
112.99129	4.7
116.07072	1.5
116.98613	63.0
119.01903	4.5
119.04939	4.3
121.06467	1.5
127.03899	3.0
128.98592	34.5
131.00185	8.9
131.01881	1.3
134.99658	24.5
137.05977	2.0
140.00153	2.3
140.98610	7.5
143.00168	13.3
144.98070	2.1
145.01730	1.6
145.04944	2.8
146.99649	30.4
149.01230	6.3
151.07565	3.3
152.98589	3.8
153.00685	3.0
157.03461	2.0
158.99644	40.0
159.50296	1.2
161.01215	19.5
161.02882	3.8
162.99078	1.7
163.02699	2.1
163.03891	2.9
165.00677	4.6
170.99652	28.2
171.05028	2.7
173.01199	4.3
175.02727	1.3
177.00705	51.1
179.02269	2.4
180.91930	1.2
182.99591	10.9
183.00700	1.0
185.03021	1.9
185.19426	1.2
189.00702	41.6
189.02278	1.7
191.03986	1.5
193.03786	2.7
195.01756	6.4
200.02303	2.7
201.00688	66.1
203.02266	1.9
207.01779	11.4
211.02812	1.3
211.04829	1.4
212.02260	2.6
213.00694	4.4
219.01756	68.4
220.02126	1.5
224.02467	1.8
225.00615	1.4
231.01756	9.3
233.03175	1.5
235.04955	1.7
237.00435	1.9
237.02798	36.4
242.03290	1.8
243.01750	19.8
245.05028	1.9
249.02805	4.4
249.08231	5.4
255.03732	3.7
261.02808	100.0
262.03238	2.2
267.03690	1.7
273.02734	9.0
279.03860	74.6
280.04053	1.4
291.03870	24.2
293.05389	1.9
297.04935	3.9
302.05438	5.7
303.03650	2.5
309.04898	5.7
321.04883	58.5
321.10486	2.3
322.05261	1.4
323.06229	1.7
333.04898	7.0
339.06113	1.8
351.05893	14.0
373.08176	2.5
381.06931	7.1
381.11218	1.7
382.12250	1.3
399.08102	6.9
441.08908	46.8
441.15051	2.5
442.09286	1.6
447.74411	1.3
452.77359	1.2
457.02579	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.0791
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07839	4.8
56.96558	22.3
69.03413	8.5
70.06569	5.0
70.89799	7.1
70.90144	11.2
72.37995	6.5
84.96016	7.8
85.02879	18.0
89.03954	4.7
97.02876	9.7
98.97578	74.8
107.04963	6.2
110.97564	8.4
112.99223	7.2
116.98607	61.2
119.01906	6.4
127.03916	6.6
128.98604	41.0
131.00162	15.0
133.03479	7.4
134.99652	41.1
135.04346	8.8
143.00180	12.3
146.99663	45.9
149.01205	8.3
155.01907	7.0
158.99646	32.5
161.01215	29.2
161.02821	8.7
163.03899	53.5
165.00757	9.1
170.99661	18.7
177.00717	55.3
182.99524	7.1
185.02942	5.1
189.00731	40.3
191.02223	7.2
195.01868	5.2
201.00708	56.4
202.04898	5.5
207.01776	11.3
219.01762	67.8
237.02858	25.8
243.01738	13.8
245.05104	7.5
261.02798	100.0
264.07669	7.3
273.02878	9.3
279.03864	72.1
291.03876	21.8
302.05362	9.5
309.04730	6.8
321.04938	52.7
333.04926	10.0
351.05853	10.6
399.07947	8.7
412.08841	5.4
423.06805	5.6
441.08353	60.8
441.14612	9.5
459.66843	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	441.0914
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96292	1.1
56.96557	15.3
69.03420	0.9
69.74609	5.6
84.96033	6.9
85.02890	1.0
88.41422	0.9
97.02885	1.0
98.97577	81.0
110.97558	18.9
112.99129	1.7
116.54699	1.0
116.98614	49.0
119.01913	2.4
124.99158	1.6
125.55180	0.8
128.98601	33.1
131.00168	2.7
132.01828	1.0
133.03447	1.3
134.99648	19.0
137.03026	0.9
140.00206	1.2
140.98598	7.3
143.00162	12.6
145.01682	1.5
146.99641	21.5
149.01245	1.6
152.98567	2.9
153.00746	1.9
158.01213	0.9
158.99646	31.8
161.01224	15.0
161.02808	2.2
165.00690	3.1
170.98163	1.4
170.99646	27.4
171.05054	1.9
173.01237	2.9
174.99129	1.4
175.01767	0.9
177.00710	41.5
179.02339	2.6
182.99643	11.6
189.00705	40.2
191.02298	1.1
195.01686	6.5
199.22195	0.8
200.02281	2.3
201.00702	57.0
202.01105	2.0
203.02216	0.8
203.03992	1.0
207.01741	8.9
212.02408	1.8
213.00766	5.4
217.44804	0.9
219.01756	58.7
220.02010	1.2
224.02373	1.5
231.01733	7.5
232.53659	1.1
233.03625	1.0
237.02806	26.2
242.03410	2.5
243.01759	18.3
245.05125	1.5
247.04109	0.9
249.02780	2.0
249.08287	3.6
255.03838	1.8
261.02808	100.0
262.03320	1.1
273.02750	9.7
273.07553	0.9
274.08032	0.9
279.03857	80.7
280.04193	1.6
284.04401	1.1
291.03854	23.9
297.05014	4.3
297.07928	0.9
302.05411	4.1
303.03741	1.6
309.04871	2.8
321.04919	56.1
322.05222	1.7
333.04886	8.5
351.05988	12.1
381.07013	6.1
381.11615	1.9
399.08041	5.9
441.09128	44.6
442.09668	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2687
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64771	1.3
55.05505	12.7
57.03430	3.7
59.05006	3.5
62.74752	2.0
65.03924	2.0
67.05502	73.3
68.05819	1.6
69.03423	3.5
69.07057	5.8
71.04983	6.5
72.41055	1.4
75.48666	1.3
79.05496	12.3
81.03408	27.7
81.07050	23.1
83.04977	6.0
83.08620	13.1
85.02897	15.5
85.06528	2.3
87.83617	1.3
91.05466	14.3
93.07024	9.8
95.04976	10.5
95.08588	8.8
97.06519	1.7
97.10188	2.2
105.07030	10.3
107.04951	3.1
107.08595	4.1
109.06485	2.7
109.10150	51.3
111.04430	2.2
111.08081	7.4
113.06000	1.9
119.08561	10.6
121.10149	4.0
123.11740	2.8
126.42855	1.4
129.06975	4.4
131.08562	4.3
133.06516	2.3
133.10115	4.3
135.11649	2.5
137.09581	3.7
145.10165	2.0
147.04404	3.0
147.08070	2.1
147.11694	4.4
149.09630	2.1
155.10634	2.4
157.10103	5.5
165.12833	1.6
167.06993	6.8
173.11720	13.2
175.11198	5.3
178.16199	1.3
193.12228	21.9
200.98875	1.3
203.18211	1.5
211.13280	29.0
219.17223	1.3
229.14417	3.1
267.15906	3.0
273.15167	2.6
349.00504	1.3
415.14240	1.6
421.25531	2.3
439.26831	100.0
440.27216	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	439.1573
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98684	0.2
54.10167	0.2
68.84129	0.2
71.58983	0.3
72.08159	0.4
75.05559	0.2
81.07056	0.4
83.01089	0.9
84.01887	0.3
85.02891	0.2
89.07147	0.7
89.10757	0.2
95.01091	1.8
96.01863	0.7
97.02715	0.2
107.08575	0.2
110.07151	0.3
111.04329	0.2
112.01356	0.8
113.02127	2.8
114.95110	0.2
123.04385	0.2
126.02863	0.3
127.03840	0.2
135.11650	0.2
139.03697	0.2
144.00308	0.3
152.12552	0.2
153.12747	1.2
157.04744	0.7
157.99841	0.2
163.03885	0.3
167.03175	0.5
182.03270	0.2
185.04207	4.0
201.03700	1.1
202.06032	3.8
203.05342	0.6
243.08575	0.5
246.09964	0.2
249.58151	0.2
250.07027	0.2
259.07922	0.7
277.10342	0.5
279.54681	0.2
297.76645	0.2
383.92001	0.2
429.46033	0.2
439.15747	100.0
440.16165	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	438.2851
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96552	1.4
57.07081	5.6
58.06591	1.5
61.02901	0.7
65.03930	1.5
67.05495	1.6
69.07083	0.6
70.06595	15.2
71.08625	1.9
71.09018	0.6
71.59108	0.8
72.08136	0.9
80.35281	0.6
81.07053	1.9
83.08604	0.7
85.02909	1.0
85.10194	0.8
87.57662	0.5
88.07633	16.3
88.88416	0.6
93.07057	1.1
93.44276	0.5
95.08647	0.7
102.08553	1.0
102.09181	11.9
105.06988	0.5
107.08582	0.6
109.10175	0.7
121.02843	0.9
123.11698	0.7
139.03920	1.4
146.11681	0.5
147.04485	0.9
149.02345	48.0
149.03369	2.2
184.20622	0.9
193.04961	52.7
194.05333	0.9
228.23230	48.6
229.23578	1.0
237.07578	61.6
238.07956	0.7
272.25867	2.0
438.28546	100.0
439.28876	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	437.3047
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06145	4.1
53.74683	4.0
55.05510	8.4
57.07075	5.8
57.82975	4.7
59.98388	4.0
61.75294	3.9
62.05273	4.1
63.25809	4.3
67.05501	18.3
69.07082	10.2
71.60201	4.7
71.60586	6.2
77.87935	4.2
79.05489	11.4
81.07055	100.0
91.05481	12.4
93.07045	19.4
95.08609	44.2
96.08424	4.0
105.07024	13.9
107.04959	11.4
107.08598	27.2
109.06478	4.8
109.10162	16.7
119.08586	18.9
120.26083	4.0
121.06527	7.5
121.10159	17.2
123.11716	4.9
124.02441	5.9
133.10129	11.8
135.08125	4.2
135.11716	17.1
137.05940	5.2
137.13235	48.9
143.08588	4.5
145.10139	14.1
147.04419	12.1
147.11707	12.8
149.13252	10.6
153.09099	4.7
158.70251	5.0
159.11697	11.3
161.13237	6.0
163.14761	6.5
175.14799	8.7
176.04616	4.4
177.04205	10.6
187.03711	4.5
189.16409	17.1
189.18040	4.7
201.16437	9.3
201.89368	4.2
203.18024	16.2
215.17957	8.6
255.17377	4.8
265.52545	4.3
283.16730	4.6
303.20026	8.1
337.41797	4.4
345.42953	4.6
419.35312	9.4
437.23138	5.2
437.34552	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	437.2662
Annotation	1-Oleoyl Lysophosphatidic Acid (sodium salt)
Peak:m/z	Relative Intensity
55.05515	15.5
57.03440	9.7
57.07072	6.2
67.05495	13.1
69.07069	25.7
69.52537	15.0
70.41851	1.8
71.08625	4.5
79.05489	7.2
81.07055	19.9
83.04967	2.2
83.08616	17.3
93.07030	11.2
95.08610	18.9
97.06554	4.1
97.10173	9.5
98.98466	38.7
98.99113	2.3
104.08102	1.8
107.08610	6.1
108.08913	2.6
109.10126	9.4
111.08070	4.0
111.11726	2.2
116.99540	2.3
121.10146	8.8
123.11708	2.6
135.11720	6.6
137.13261	3.0
149.13272	3.0
155.01047	40.6
165.16344	2.7
173.02133	3.1
247.24214	6.6
249.97856	1.9
265.25281	13.5
278.19968	1.9
314.08795	1.8
339.28952	100.0
340.29269	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	437.3054
Annotation	Sargaol acetate
Peak:m/z	Relative Intensity
53.03943	1.9
55.05510	6.1
57.07077	3.8
61.32224	0.7
67.05161	1.3
67.05499	10.5
69.07066	20.5
71.08621	0.7
79.05488	10.8
81.07052	100.0
81.61503	0.7
82.07420	1.0
83.08614	7.5
87.20545	0.6
91.05468	7.6
93.07031	14.1
95.08600	36.7
95.59927	0.7
95.72011	0.9
97.10156	1.9
103.05470	0.9
105.07030	10.0
107.04950	3.2
107.08587	18.6
107.09296	1.5
109.10149	16.9
111.11686	1.7
117.06998	1.3
119.04932	5.5
119.08575	13.2
121.06541	1.2
121.10134	12.6
123.11704	13.0
125.25484	0.7
131.04906	1.4
131.08562	0.9
133.06502	1.9
133.10117	5.9
135.11688	11.9
137.13252	35.6
138.13554	1.0
139.07579	1.0
145.06493	1.3
147.04407	23.1
147.11699	6.5
148.04703	0.8
149.05968	1.2
149.13263	6.6
151.14804	1.3
157.06514	0.8
159.04445	1.4
159.08084	1.3
161.09564	1.4
161.13220	5.6
163.14822	4.3
165.05502	4.4
171.08035	0.9
173.09634	1.3
175.14853	2.5
177.05463	14.4
177.16409	1.9
185.09628	2.0
189.05548	0.9
189.16281	3.5
191.07010	2.3
191.17920	6.9
197.09663	0.7
199.11203	1.8
201.09201	1.1
203.18002	2.3
215.07173	1.0
217.08626	0.9
217.19508	4.0
219.10086	1.0
225.09212	0.7
227.10681	0.7
231.10204	0.7
243.10278	2.4
245.11783	1.4
253.16106	0.8
255.17448	1.7
257.12082	0.7
273.25803	4.2
283.16968	4.3
295.17087	1.1
301.17944	14.4
313.18039	3.1
419.29367	3.1
437.30359	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	437.1442
Annotation	Pterosupin
Peak:m/z	Relative Intensity
53.03943	0.7
55.01863	1.5
57.03432	0.7
61.02927	0.4
67.05493	0.4
69.03424	1.4
69.07062	0.6
70.65425	1.4
70.65796	0.3
71.04996	0.5
77.46387	0.4
77.72687	0.4
79.05486	1.2
81.03419	0.7
81.07032	0.5
85.02898	3.2
86.03246	0.4
87.00845	0.5
93.07044	0.9
94.07362	0.8
95.04956	1.6
95.08643	0.5
97.02882	1.3
97.06529	1.2
98.03223	0.6
98.06854	0.9
99.04446	0.5
103.03920	0.7
105.01867	1.4
105.06958	0.4
107.04951	100.0
107.08587	1.6
108.05296	1.0
108.08926	0.8
109.02872	1.8
109.10203	0.5
110.10500	0.4
121.02821	0.5
121.06473	0.8
123.04436	1.3
127.03905	1.5
131.04926	0.5
135.04413	0.7
135.11674	1.9
136.12035	1.6
137.05989	0.5
139.03917	1.9
147.04434	1.1
149.05989	1.3
151.03909	3.1
153.12741	4.7
154.13092	5.9
159.08131	0.4
161.06009	0.5
161.13225	0.4
163.03905	2.4
165.05429	0.6
169.04933	1.0
171.13818	1.4
172.14168	1.4
173.05902	0.7
175.03944	0.6
181.04967	5.3
187.03909	0.8
189.05533	1.0
191.03409	0.4
193.04979	7.8
205.04987	2.5
207.06454	2.0
211.06003	4.6
217.04971	0.9
229.05014	1.3
232.05217	0.4
235.06023	5.4
241.04968	0.7
247.06006	3.4
259.05960	2.6
275.09131	2.8
277.07101	1.3
287.09140	5.3
295.08142	0.9
299.09079	3.6
304.05649	0.6
305.05606	1.4
317.10168	7.7
335.09253	0.9
341.10193	9.8
353.10126	8.3
365.10071	3.5
371.11267	0.5
383.11151	2.8
401.12378	1.7
402.18445	0.6
419.13327	0.4
441.26666	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2907
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.3
55.01870	2.6
55.05502	7.1
57.03447	3.9
65.03918	6.2
67.05493	10.0
69.03431	15.2
69.07061	9.3
70.06558	3.0
71.05006	16.0
71.59303	3.5
73.02920	5.2
73.06572	2.6
77.11991	1.9
79.05498	20.2
81.03407	9.4
81.07057	51.1
83.04974	6.7
83.08624	4.0
84.04503	2.9
85.02897	26.5
87.00825	8.7
90.14312	2.2
91.05499	15.0
93.07050	26.4
95.04977	7.8
95.08591	16.4
97.02893	14.7
97.06520	3.7
99.04451	4.2
99.08098	3.2
103.05460	2.9
105.01888	9.3
105.07019	20.1
106.04140	2.4
107.04940	17.8
107.08592	34.5
108.05293	6.5
109.02865	5.2
109.10142	20.0
111.04478	2.5
111.11729	2.7
117.07030	4.9
118.07290	2.6
119.04932	10.8
119.08588	36.2
121.06492	4.2
121.10149	6.2
123.04421	10.4
123.11723	10.2
124.03986	3.0
125.06015	5.1
127.03929	27.4
127.11205	11.1
128.04254	2.1
131.04942	5.8
132.97598	2.4
133.10139	16.2
135.04428	3.7
135.11688	69.3
137.05988	5.0
138.05469	6.6
140.04666	3.4
142.02620	2.8
143.10674	13.1
144.05705	3.1
145.04956	10.7
145.06441	3.7
146.06865	3.4
147.04402	49.8
147.05511	3.5
147.11687	12.8
149.05989	7.5
149.13239	3.7
149.60632	2.0
151.03954	3.5
153.12749	42.9
154.13048	2.5
161.05954	4.2
161.13229	8.3
162.06485	2.6
163.03914	8.6
163.14825	2.4
164.04323	3.8
165.05556	3.2
167.07043	100.0
168.07391	23.3
169.04980	2.6
170.12572	2.4
171.06561	3.9
172.05193	2.4
173.05844	3.2
174.06186	2.8
181.04956	51.0
182.05307	28.8
183.05524	2.7
187.07611	3.6
188.07959	3.4
191.03406	3.6
193.08531	4.0
201.05550	3.3
202.05927	3.1
203.17935	31.6
207.06200	2.1
209.08092	3.3
210.08238	2.6
217.08621	2.1
219.10216	2.3
221.15549	2.9
221.18987	33.7
222.08499	3.5
227.09195	6.1
231.04997	7.6
233.08081	14.0
234.08440	21.8
235.67123	2.4
236.10049	3.6
239.19783	2.4
249.06006	4.7
251.09085	2.6
263.09152	4.7
264.09525	4.4
268.08405	3.3
272.75522	2.0
274.14551	5.1
343.08243	3.9
388.14740	8.7
400.14786	7.3
418.15845	21.8
436.17371	3.0
436.23233	3.5
437.14368	6.8
437.21503	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	437.1957
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.6
55.05514	0.9
56.96566	0.4
57.07061	1.0
57.49129	0.4
59.44609	0.3
62.67001	0.3
65.03937	1.8
67.05503	4.6
69.07071	1.7
70.35682	1.6
71.08652	0.4
79.05489	4.4
81.03426	0.4
81.07056	77.0
82.07380	0.9
83.08659	0.5
91.05467	0.8
93.07039	1.6
95.04971	0.5
95.08606	9.9
97.02872	0.4
102.64011	0.4
105.07011	0.5
107.08598	1.3
109.10165	2.3
111.04440	1.7
119.08562	0.6
121.02863	100.0
121.10128	0.5
122.03201	1.1
123.04401	0.7
123.11685	0.4
133.10098	0.4
137.13252	30.3
147.04381	2.5
149.13165	0.4
163.03879	3.1
239.07021	0.7
239.94530	0.5
241.04832	1.1
257.03223	0.4
275.19965	0.5
283.05954	4.2
294.31094	0.4
298.51917	0.5
301.07053	11.0
309.82468	0.4
425.35309	0.5
437.25217	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	6.8
55.01871	7.4
55.04813	4.0
55.05519	9.8
57.03443	10.9
67.05500	6.2
69.03433	43.1
69.07063	7.1
69.29345	33.9
69.29771	16.9
71.04992	25.5
73.02900	4.6
78.03467	5.4
79.05506	20.3
81.03425	28.0
81.07067	35.4
83.04990	26.5
83.34988	4.3
85.02905	82.4
87.00841	21.4
91.05492	21.3
93.07045	52.0
95.04969	14.6
95.08614	18.7
96.09765	3.7
97.02888	25.5
97.06567	7.2
98.20777	8.1
99.04456	12.2
103.05457	4.3
105.01868	43.4
105.07040	16.8
106.02934	17.4
107.04962	13.1
107.08598	43.5
109.02875	16.6
109.06542	9.7
109.10172	13.0
111.04469	9.0
117.03406	5.0
117.34467	4.3
119.08596	12.2
121.06517	28.6
123.04408	9.8
123.11710	7.8
124.03972	58.6
126.05527	5.1
127.03922	47.1
129.07079	5.1
133.10150	12.9
134.51561	4.3
135.04395	13.1
135.11687	70.2
136.04747	7.6
137.02368	15.0
137.05965	7.3
139.03897	6.5
139.06619	4.5
145.02817	9.4
145.04965	20.6
145.10193	5.8
147.08081	6.0
151.11201	16.0
153.12740	100.0
154.04976	7.9
159.02890	8.4
161.05978	8.3
163.03920	66.0
164.04259	46.9
167.07123	10.0
169.36479	4.0
173.04688	5.0
173.09647	9.9
177.12772	5.9
182.05559	4.9
188.65971	4.0
189.12712	4.3
193.12044	4.4
195.13829	6.4
214.88626	5.0
231.04997	33.6
234.16260	5.6
239.12819	5.6
243.13620	4.9
249.06145	16.3
250.06975	5.1
257.13766	4.7
261.14902	8.5
268.08203	17.8
274.07986	6.8
274.10760	18.6
281.08328	4.4
283.30951	4.3
286.09314	8.0
289.05356	5.5
365.16086	7.5
383.17065	12.1
437.14258	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	436.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.3
55.01867	4.4
55.05505	2.4
56.96561	1.5
57.03436	4.0
57.07067	2.7
59.68448	1.1
61.02924	1.7
65.03920	1.9
67.05491	3.4
68.99793	1.3
69.03433	16.0
69.07079	9.6
70.08221	7.5
71.01339	1.8
71.04985	5.2
73.02908	4.1
79.05053	2.2
79.05489	22.5
81.03426	8.5
81.07056	20.0
83.01315	1.2
83.04975	1.6
83.08612	2.2
85.02905	37.1
87.00826	8.4
91.05482	7.7
93.07043	38.9
95.04971	3.3
95.08603	5.3
97.02893	9.7
97.06548	2.9
98.97576	1.7
99.04493	6.7
105.01847	7.9
105.07035	4.4
106.02914	2.2
107.04948	4.1
107.08590	30.3
109.02890	9.7
109.06512	1.9
109.10155	5.4
111.04462	1.9
116.98609	1.6
117.07010	1.5
119.08573	1.5
121.02837	2.5
121.06518	3.1
123.04424	2.3
123.11651	2.0
124.03961	3.6
124.05267	1.3
125.13310	1.5
127.03909	24.1
133.10129	3.5
135.04430	2.5
135.11688	100.0
137.06026	1.8
137.13226	7.1
139.03979	1.3
140.25932	1.3
145.04965	11.0
147.04411	1.5
149.06004	2.1
149.09671	1.8
151.07530	1.6
151.11151	6.6
153.12753	5.4
159.02943	3.3
159.11720	1.4
161.01199	2.1
161.05956	2.4
162.06326	2.5
163.03902	10.2
167.07077	2.6
171.07840	1.4
173.06079	1.6
175.11018	1.2
177.12712	1.6
181.04922	2.7
182.05331	2.0
195.02870	2.3
197.11778	1.9
206.61888	1.3
207.10172	2.0
207.67538	1.4
208.10498	2.1
213.03900	1.7
215.14177	1.7
231.04935	12.2
239.12769	9.1
243.13721	2.2
249.06067	10.3
261.14865	4.4
269.08536	1.2
279.15735	1.5
284.09912	1.5
289.05270	2.9
347.15182	2.0
354.09875	1.4
365.15915	2.9
383.16928	5.3
393.15247	4.8
436.22382	1.6
437.14230	19.1
446.92065	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.3
55.01874	4.5
55.05494	0.6
57.03429	4.8
58.03754	1.1
59.04983	1.0
61.02914	2.1
65.03943	0.9
67.05495	1.4
68.99781	0.9
69.03421	7.7
69.07056	1.1
71.01353	1.0
71.04195	1.2
71.04989	1.1
73.02921	4.5
74.03210	0.5
79.05481	3.5
81.03417	3.4
81.07048	3.6
83.04955	0.6
85.02898	18.4
86.03191	0.7
87.00825	4.1
87.04425	0.5
91.03939	0.7
91.05482	3.9
93.07037	19.0
95.04974	1.5
95.08611	5.4
97.02889	7.0
97.06516	1.4
98.14540	0.5
99.04462	2.7
105.01865	6.8
105.07010	1.9
107.08593	20.7
108.05258	0.4
109.02872	4.2
109.06522	0.5
109.10134	1.6
111.00811	1.0
115.03916	1.5
121.02879	1.3
121.06488	0.9
122.03226	0.6
123.04424	0.7
127.03909	13.6
129.01825	0.9
133.04942	2.5
133.10204	0.6
134.05287	0.5
135.11691	25.6
137.02339	6.0
137.13228	1.9
138.02686	2.4
143.08568	0.7
145.04948	7.6
153.01797	3.3
153.12761	3.6
154.02174	1.7
157.10152	0.6
159.02832	3.0
162.06316	0.5
163.03917	1.7
164.04230	1.7
165.01848	1.8
166.02171	1.3
167.07016	1.6
168.07434	0.9
169.67708	0.5
173.06085	0.7
174.06328	0.6
181.04930	0.7
181.08496	0.5
183.02968	0.6
185.09573	0.6
193.08574	0.7
201.05443	1.8
202.05804	1.6
203.10693	0.5
211.09619	1.1
213.03896	0.8
215.03378	0.6
229.05011	2.3
230.05319	4.0
231.04993	4.4
234.08488	0.6
248.06392	0.6
249.06104	2.1
257.04477	1.7
258.04816	1.9
261.14725	0.8
274.04663	0.6
275.05023	0.9
286.04425	2.1
303.04977	35.1
304.05325	100.0
305.05545	6.5
315.04803	2.2
316.05286	6.0
317.05948	0.5
328.05334	1.2
330.06790	1.3
342.06866	1.8
342.94998	0.5
345.06058	1.4
346.06250	4.1
347.06293	0.7
354.06860	2.3
357.68500	0.6
358.06314	0.6
370.06473	4.7
382.06436	1.8
383.17236	0.5
400.07422	7.5
401.07764	0.6
418.08698	3.0
418.14371	0.5
436.05069	0.5
436.09543	4.9
437.09274	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.2
55.01875	5.4
55.05509	3.3
57.03421	3.1
59.04991	1.4
61.02911	2.3
65.03916	0.8
67.05489	1.9
68.99771	1.1
69.03082	0.9
69.03426	13.2
69.07040	0.8
69.47589	2.6
69.48013	3.4
71.04996	3.9
73.02911	4.4
79.05489	4.5
81.03416	9.0
81.07054	13.7
83.04977	1.3
83.08624	8.3
85.02901	46.9
87.00822	10.7
87.04437	1.0
91.05481	9.0
91.43222	0.8
93.07040	65.7
94.07388	1.3
95.04948	2.7
95.08603	27.1
97.02889	9.5
98.21574	1.0
99.04463	7.4
101.52954	0.8
102.81418	0.9
103.08727	0.7
105.01869	9.0
105.07010	4.9
107.04949	3.2
107.08591	50.0
108.08942	0.8
109.02879	10.9
109.06532	1.4
109.10155	1.9
111.04431	2.4
115.03916	0.8
119.04937	2.0
119.08562	2.5
121.02875	1.1
121.06472	0.9
124.03943	1.1
127.03916	28.1
129.01849	3.0
129.05415	1.0
131.08560	1.8
133.06471	1.0
133.10123	1.5
135.11684	100.0
136.12001	2.2
137.05966	0.9
137.13258	7.9
143.08556	2.5
145.03030	0.6
145.04961	16.5
147.02887	2.1
147.04393	6.5
147.11671	1.2
147.63402	0.7
153.12740	16.9
157.10138	2.5
159.02863	5.0
161.09668	1.1
163.03967	1.4
165.12726	0.9
167.07028	0.9
167.08551	1.2
168.07507	0.9
175.11113	0.8
181.05048	1.2
183.08060	0.8
185.09610	4.8
189.03809	0.8
190.31891	0.7
193.08591	1.2
203.10661	3.6
210.08722	0.8
211.09627	2.4
213.03937	2.4
221.11676	2.1
225.12781	0.8
231.05002	11.7
233.08040	0.7
243.13751	1.2
249.06065	9.4
250.07138	0.8
257.08041	1.0
261.14844	1.1
303.04980	3.0
304.05319	8.9
307.11792	2.8
325.12891	2.6
365.15927	2.8
383.16992	2.5
437.14270	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	436.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01581	0.2
51.02375	0.3
53.03948	1.3
55.01865	0.2
65.03928	0.2
65.41532	0.2
65.89641	0.2
69.03412	0.3
69.73577	0.4
69.74007	0.7
77.03923	0.5
85.02909	0.3
89.07155	0.4
91.05475	5.3
93.07035	10.6
95.04959	2.7
103.05463	5.8
105.04507	0.5
107.04961	0.3
119.04913	0.2
121.06496	100.0
122.06834	1.4
123.04417	0.3
137.05962	0.5
144.61275	0.1
154.04999	0.4
163.71103	0.1
182.24026	0.1
229.08490	0.2
260.44366	0.2
274.10718	9.6
336.94980	0.2
354.24979	0.2
436.16006	23.3
437.16302	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.1813
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	0.4
53.03936	0.5
55.01855	0.2
57.03432	2.3
57.32431	0.2
61.02913	0.6
69.03427	2.0
70.79502	0.4
71.01347	0.3
73.02500	0.3
73.02911	4.8
73.49396	0.2
77.03926	0.3
79.05476	0.7
81.03395	0.3
85.02903	2.0
95.04965	1.2
97.02885	2.6
105.04510	0.2
107.04949	100.0
108.05276	0.8
115.03928	2.1
121.06477	1.1
127.03899	0.6
132.06488	0.2
133.04974	0.5
145.04955	0.4
147.51901	0.2
150.07643	0.7
203.97153	0.2
221.05170	0.2
221.23663	0.2
241.06967	0.2
259.08044	0.2
295.10220	0.6
408.31613	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2737
Annotation	Iriomoteolide 3a
Peak:m/z	Relative Intensity
50.30647	1.3
50.86552	1.2
53.03938	1.5
54.39268	1.5
55.05512	8.9
57.07064	3.3
67.05504	9.2
67.25444	1.4
69.07057	16.9
70.23652	6.0
79.05505	3.3
81.07062	16.8
83.08620	9.5
91.05489	11.6
93.07037	8.6
95.08604	15.6
97.10149	11.3
98.21432	1.4
105.07037	5.0
107.08591	7.8
109.10146	6.9
111.11719	6.0
119.04942	19.5
119.08588	6.4
121.10125	6.6
123.04369	1.7
123.08073	1.4
123.11705	5.4
125.09651	1.4
125.13313	1.6
133.10130	3.1
135.11668	8.3
137.09644	1.9
137.13228	2.7
139.11211	2.3
141.31549	1.3
147.04404	100.0
147.11711	2.8
148.57358	1.4
149.13205	1.3
151.11179	2.1
153.12749	2.5
161.13297	3.9
163.03909	2.7
165.05486	14.1
165.12746	1.6
175.14775	2.2
179.14265	1.4
217.19484	11.7
235.20503	14.4
253.21597	9.8
290.36102	1.5
294.93130	1.7
371.19705	1.5
435.27878	2.6
435.39215	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	435.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	9.3
57.07063	3.5
61.82339	1.0
67.05508	9.6
69.07070	16.0
70.06590	2.9
71.08646	1.3
71.50155	1.1
71.58482	1.8
79.05509	6.3
81.04760	1.1
81.07053	18.0
83.04995	1.2
83.08614	11.3
85.10204	1.1
91.05477	14.5
93.07041	6.3
95.04950	1.2
95.08032	1.8
95.08600	16.6
97.10159	14.4
99.08134	1.9
105.07025	4.6
107.04965	1.6
107.08595	7.2
109.06519	1.4
109.10155	7.6
111.11734	4.7
119.04936	20.8
119.08576	4.7
121.10155	4.5
123.11710	3.0
125.09560	1.2
125.13249	2.7
133.10139	5.0
135.11624	5.8
137.13260	2.5
139.11157	1.8
147.04405	100.0
147.11681	4.3
148.04732	3.8
151.11172	1.8
151.14832	2.5
153.12730	1.6
156.33044	1.1
157.12251	1.2
161.13234	2.6
163.03821	1.3
165.05457	5.9
165.12753	1.7
171.13927	1.3
179.14264	1.8
191.06996	2.1
217.19525	13.3
235.20558	15.9
253.21599	13.6
257.03748	1.1
271.22858	1.6
329.32373	6.3
373.35391	1.5
435.21976	1.4
435.27649	1.6
435.38773	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	435.1648
Annotation	CHEBI:67628
Peak:m/z	Relative Intensity
55.01862	1.0
55.05497	0.9
57.03430	0.9
65.03930	2.2
67.05504	0.8
69.03412	2.6
69.07067	0.8
69.68451	3.5
69.68871	0.7
69.81007	0.5
71.04987	0.8
73.02917	1.2
74.45765	0.6
78.04691	0.6
79.05482	4.5
81.03397	2.3
81.07051	1.6
83.04968	4.3
85.02900	4.0
89.03902	1.6
91.05469	2.3
93.01259	0.6
93.03380	0.8
93.07029	0.8
95.04934	2.1
97.02870	1.7
103.05437	1.3
105.01847	1.2
105.06966	1.2
106.04132	1.0
107.04952	8.1
109.02845	0.7
109.06482	0.9
110.93273	0.5
111.04416	1.8
115.05412	1.8
117.03352	1.7
117.07003	2.0
121.02872	0.7
121.06476	1.3
121.10224	0.7
123.04433	3.3
123.11664	1.5
124.05188	2.0
125.05997	1.4
127.03907	2.5
129.06993	1.4
131.04886	1.0
131.08534	0.8
133.06470	2.0
134.03659	0.7
135.04396	4.0
137.05936	1.4
144.05659	1.3
145.02843	2.6
145.04942	0.8
145.06470	4.2
147.04404	2.4
147.08029	1.1
149.05978	1.0
152.04709	0.8
152.11523	0.6
153.12784	0.9
157.06444	1.8
159.04376	1.1
159.08055	1.7
160.05202	1.2
161.05974	3.8
163.03896	23.0
167.07031	28.5
171.06511	1.4
172.03793	1.2
172.05176	16.2
173.05981	3.6
175.04022	0.7
175.07550	2.3
177.05437	1.2
181.04941	22.0
182.76799	0.7
185.05962	0.8
187.07530	2.1
189.05467	3.1
190.06215	0.9
191.03391	0.6
191.06960	1.5
192.90523	0.5
195.06606	0.9
200.04686	7.5
201.05429	3.0
202.06236	0.8
203.07045	1.1
204.07953	0.6
205.08604	2.4
209.08052	1.0
211.05997	1.0
217.08617	1.3
218.05734	12.1
219.06326	1.1
219.10114	1.2
221.06107	0.7
221.08026	3.0
231.06436	1.1
233.08067	100.0
234.08453	1.6
235.09650	1.1
245.08090	1.7
247.07529	0.9
251.08905	1.3
263.09143	19.9
273.07391	1.2
275.06998	0.8
276.07800	0.6
277.08469	0.9
279.09988	1.1
280.07147	0.6
291.06461	0.8
295.09683	0.7
299.94708	0.5
303.04971	6.9
307.09473	0.8
309.07605	1.0
311.16675	0.6
323.09088	0.7
331.08060	0.9
335.09006	0.8
337.06866	0.8
337.10629	0.6
338.55615	0.7
339.12131	1.0
367.11554	2.1
372.11789	0.9
381.12823	0.9
384.11948	1.2
387.14337	2.6
399.14340	3.4
417.15424	20.2
418.81256	0.8
421.90689	0.7
435.15881	0.9
445.30429	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1648
Annotation	CHEBI:67628
Peak:m/z	Relative Intensity
53.03938	1.4
55.01861	1.5
55.05505	1.1
56.11108	0.5
64.33552	0.6
65.03934	7.0
67.05496	3.3
67.39753	0.5
69.03426	4.3
69.41422	5.1
69.60210	0.5
75.04457	0.5
77.03918	0.9
78.04700	0.6
79.05489	7.0
81.03410	4.4
81.07056	0.9
82.04184	2.8
83.04932	1.0
83.08613	0.8
83.48778	0.4
85.02508	0.4
85.02908	5.1
89.03895	0.5
91.05478	4.0
91.58054	0.5
93.03400	2.1
95.04961	3.8
97.02897	0.9
97.06532	1.5
98.04299	0.4
100.11252	2.6
103.05450	1.1
105.07029	1.8
106.04151	2.1
107.04945	15.5
108.02083	1.1
109.02866	1.0
109.06535	1.0
110.03646	3.1
111.04427	2.9
115.05457	3.9
116.06236	1.0
117.07011	3.7
119.04939	0.7
119.08591	0.7
121.06483	2.7
123.04407	3.8
124.05196	4.0
125.05968	4.7
127.03911	6.1
128.06213	1.1
129.06978	2.5
130.06020	0.5
131.04907	1.8
131.08542	2.5
132.05676	0.9
133.02888	0.6
133.06503	2.4
134.03603	0.9
135.04375	0.9
135.11644	0.5
137.05963	1.8
138.03136	2.5
139.03859	0.8
139.07556	0.5
141.06955	1.9
142.02560	2.3
143.04927	0.8
144.05705	4.2
145.06483	8.8
147.04378	2.1
147.07997	1.4
149.05957	3.7
152.04668	1.9
153.01810	1.8
153.05437	1.8
155.04944	1.1
155.06001	0.9
155.07098	1.2
156.05701	0.7
157.06496	2.8
158.03745	0.6
158.89503	0.5
159.04430	0.9
159.08052	3.4
161.05965	3.6
163.03870	3.6
163.07465	0.6
165.05472	0.7
166.02592	1.3
167.07034	48.9
169.07628	0.5
171.06523	6.9
172.05183	6.5
173.05983	5.3
174.06769	0.8
175.07495	2.2
176.08257	0.6
177.05487	2.4
177.09123	1.3
179.06992	0.6
181.04944	100.0
181.08472	2.2
182.05328	1.4
182.15395	1.1
183.04353	0.8
183.06476	0.7
185.05920	1.0
187.03894	0.6
187.07515	8.2
189.05521	2.9
190.06242	1.6
191.07025	2.1
191.10706	2.6
193.04832	0.8
195.06552	3.0
200.04704	2.5
201.05455	5.4
202.06172	0.8
205.08595	5.5
206.05724	3.2
207.06392	0.9
207.10155	0.8
209.08063	5.6
210.14917	1.9
217.08530	1.3
218.05696	5.9
219.06351	0.7
219.08179	0.8
219.10109	5.8
221.06107	0.9
221.08046	6.2
225.07413	1.0
228.15895	0.5
233.08072	46.6
234.06541	0.6
234.08612	1.2
235.07458	1.2
235.09682	3.1
236.08289	0.5
245.08017	2.6
247.07332	1.0
251.09068	4.0
263.06982	1.0
263.09167	12.2
264.07730	1.0
265.08521	0.8
273.07599	2.6
273.12247	0.6
277.08807	0.7
279.06613	0.8
279.10168	1.1
281.10379	1.1
283.05933	2.1
291.06375	0.6
292.07257	0.7
293.07947	1.2
295.09528	1.2
303.05270	0.7
305.07822	0.8
307.09622	1.0
309.07623	0.6
311.09042	0.6
321.07767	0.7
323.09177	0.9
325.10757	0.6
326.28012	0.9
327.12329	0.9
329.10312	0.7
331.07990	0.7
331.74527	1.4
335.09247	0.8
339.12259	1.0
341.10370	0.7
346.10382	0.7
353.75882	0.6
355.07980	0.5
355.11768	2.5
366.10971	0.5
367.11884	3.3
369.13220	0.9
371.14761	1.9
372.12158	0.6
381.13150	2.5
384.11920	1.0
387.14319	12.1
399.14377	7.6
417.15427	29.3
417.28860	0.8
418.15836	0.7
426.29437	0.7
435.10785	0.7
435.16324	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1647
Annotation	CHEBI:67628
Peak:m/z	Relative Intensity
52.15696	1.7
53.03938	3.4
54.62637	1.6
55.05516	2.8
56.96556	6.9
57.03417	6.5
60.34922	1.8
61.02922	2.0
65.03938	10.5
67.05494	5.0
69.03423	12.5
70.06596	2.3
71.04982	16.2
71.59169	2.7
73.02917	3.7
79.05496	11.1
81.03390	6.7
81.07051	3.1
82.04187	2.8
83.04977	9.2
84.96026	2.4
85.02902	38.3
86.03230	3.1
87.04469	4.5
89.03905	2.8
91.05460	6.0
93.07016	2.8
95.04943	7.8
97.02904	10.8
97.06544	3.7
98.03218	2.1
98.97591	10.8
99.04457	1.9
100.18864	1.9
105.07019	6.1
107.04957	20.7
107.08596	2.6
109.02880	3.3
110.03667	3.5
110.97512	2.1
111.04414	5.1
115.03905	5.4
115.05472	4.8
116.04289	2.0
116.98613	6.7
117.03358	4.8
117.07001	3.9
119.01811	2.1
119.04939	3.4
121.06517	4.3
123.04438	12.6
124.05208	2.6
125.05968	3.2
127.03924	13.4
128.04242	2.5
129.05457	4.4
129.07010	4.1
131.00171	3.2
131.04980	2.5
131.08504	2.2
133.04924	4.7
133.06490	2.6
133.10146	5.1
135.04434	14.8
137.05986	5.8
139.03894	2.4
141.06895	2.3
142.02599	3.0
143.00137	2.2
145.02800	10.6
145.04947	3.7
145.06468	10.3
146.05258	1.8
146.99661	3.1
147.04382	5.1
147.08049	3.5
149.01234	2.5
151.03903	3.6
151.07538	2.6
151.11176	2.0
153.05466	2.7
156.08792	1.8
157.06462	5.5
159.08102	3.7
161.01207	4.4
161.05951	17.8
161.09602	2.3
163.02533	4.2
163.03908	84.1
163.06007	4.4
164.04366	2.4
164.06378	3.1
165.01779	5.0
167.07033	46.5
171.06476	7.3
172.05217	8.2
173.02786	3.6
173.05945	6.4
174.06613	2.6
175.07495	4.3
177.09100	2.8
181.04950	100.0
182.03287	4.4
183.02898	2.3
187.07578	9.3
189.05527	4.4
189.09131	10.9
189.10651	2.3
191.03468	4.5
191.07039	3.6
195.02898	13.9
195.06543	2.1
200.04695	3.2
201.00700	3.1
201.05478	8.1
203.02138	3.1
205.08643	2.7
206.05693	2.1
207.10165	14.6
218.05748	5.1
219.02888	5.9
219.10135	4.6
221.08087	6.1
231.02812	3.2
233.08086	50.6
235.09550	3.1
237.00684	4.8
237.02856	4.6
245.03265	2.1
245.08205	2.6
251.09129	4.1
255.01765	3.9
261.04077	4.4
263.04568	3.7
263.09134	14.3
272.55157	2.1
273.07559	2.9
279.01859	2.5
285.07581	4.5
305.05481	5.6
315.08673	2.5
327.11847	2.2
339.08633	4.1
339.12445	2.3
342.10431	1.8
345.58112	7.1
351.08817	3.9
355.11743	2.9
362.57281	2.9
367.11691	2.5
372.11447	2.0
381.05099	2.7
381.13477	2.6
387.14398	12.0
399.14584	4.7
417.10858	2.4
417.15543	30.5
427.12372	7.5
435.16345	38.3
435.59955	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1284
Annotation	Robustaside B
Peak:m/z	Relative Intensity
50.66073	0.4
53.03933	1.1
55.01869	1.2
55.05505	6.2
57.03414	0.7
65.03932	1.3
67.05489	0.8
69.03438	4.6
69.34813	3.8
69.35246	1.2
71.04982	0.5
73.02906	1.4
79.05486	1.7
81.03410	2.3
81.07065	0.5
83.04978	26.6
85.02899	2.4
89.03919	5.9
91.05490	0.7
93.03407	0.9
95.04967	1.3
97.02876	1.7
99.04449	1.0
101.06007	0.5
103.05430	0.7
105.07028	0.6
107.04953	4.4
109.02854	1.1
111.04436	6.0
117.03384	6.9
117.07080	0.7
121.06467	0.8
123.04421	2.2
125.02338	0.8
125.05977	0.7
127.03932	3.0
129.05486	0.7
131.04932	0.7
134.10445	0.5
135.04405	17.5
135.05418	1.0
137.02310	1.1
137.05931	0.8
139.74576	0.5
145.02832	10.3
145.06482	1.1
147.04433	1.5
149.05968	1.9
151.03876	1.1
155.04733	0.6
157.06508	1.5
161.06000	2.4
163.03897	100.0
164.04240	2.4
167.07045	5.5
168.78709	0.5
171.06570	0.6
172.05220	1.1
173.05980	1.3
175.03899	2.5
177.05435	1.6
181.04962	10.5
181.06456	0.9
181.08504	0.8
183.08047	0.6
185.05988	1.3
187.07515	0.9
189.05492	1.0
191.07083	0.7
199.07489	1.1
201.05499	1.5
203.07045	1.1
209.08080	2.3
211.07462	0.6
217.08591	1.1
218.05740	1.2
219.10155	0.6
221.08116	1.2
227.06989	2.2
229.04790	0.6
229.08591	2.0
231.06494	1.2
233.08072	5.7
245.08128	3.1
255.06523	0.8
263.09171	1.4
273.07565	4.0
273.10803	0.9
289.06595	0.7
291.08731	0.6
303.04950	7.7
336.83249	0.5
340.30478	0.6
387.14349	0.7
399.14786	0.6
417.15872	3.2
435.12607	2.0
435.17154	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1288
Annotation	Coreopsin
Peak:m/z	Relative Intensity
53.03938	1.1
55.01861	0.5
55.05510	4.7
57.03444	1.1
65.03922	1.6
67.05489	0.8
69.03426	4.4
71.04991	0.7
71.59147	0.5
71.59561	0.7
73.02909	2.1
79.05490	1.7
81.03433	2.9
81.07044	0.5
83.04984	26.7
85.02921	3.0
89.03922	6.0
91.05467	1.4
93.03435	0.6
93.07025	0.8
95.04949	1.4
95.60530	0.5
97.02869	2.6
99.04458	0.7
105.07027	0.7
106.04175	0.9
107.04967	5.0
107.08565	0.7
109.02871	1.0
111.04444	6.0
112.04700	0.6
115.05463	1.5
117.03381	7.8
117.06989	0.7
121.06514	1.5
123.04426	3.2
125.02335	0.7
125.06009	1.1
127.03943	2.9
129.07051	0.7
131.04922	1.0
135.03389	1.0
135.04424	18.2
137.02321	0.8
139.03880	0.8
143.04947	1.0
144.05696	0.7
145.02847	11.5
145.06474	1.8
147.04408	1.9
149.05975	2.7
151.03897	1.9
153.05391	0.5
153.07036	0.5
155.04938	0.6
155.08516	0.8
157.06506	1.2
159.04532	0.6
161.05991	2.9
163.03912	100.0
164.04266	2.2
165.05582	0.6
167.07056	7.5
171.06580	1.2
172.05206	1.6
173.06020	2.3
175.03944	2.7
175.07542	0.6
177.05444	1.0
181.04984	17.1
181.06454	1.2
181.08543	0.6
183.08067	0.8
185.05995	1.3
187.03822	0.6
187.07516	1.2
189.05508	1.1
189.89699	0.5
191.07042	0.9
191.10699	0.6
193.04901	0.7
199.07555	1.5
201.05501	1.5
202.06378	0.7
203.07066	1.4
205.08527	0.7
206.05635	0.5
209.08041	2.7
211.07736	0.5
213.05478	0.7
217.08597	1.1
217.67587	0.6
218.05704	0.6
219.06480	0.6
219.10123	1.4
221.08121	0.9
227.07088	2.1
229.08638	2.3
231.06567	0.8
233.08092	9.1
237.61301	0.6
245.08043	2.3
255.06432	1.8
263.09164	2.0
273.07645	4.6
273.11200	2.8
289.06403	1.1
303.04977	9.3
304.05490	0.7
307.09393	0.6
320.67056	0.5
341.55246	0.5
371.14575	0.6
387.14487	1.4
399.14395	0.8
417.15768	4.7
435.12628	1.9
435.17102	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1263
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.4
55.05499	0.5
65.03944	0.8
67.05496	0.8
68.99781	0.4
69.03411	1.0
69.56467	1.1
69.56891	1.7
79.05482	1.6
81.03405	0.8
81.07045	1.0
83.04967	1.6
85.02905	1.8
91.05479	1.3
93.03395	0.4
93.07043	0.8
95.04984	0.8
95.08598	0.6
97.06532	0.8
98.20709	0.4
103.05384	0.4
104.60339	0.3
105.03330	0.3
105.07011	0.6
106.04177	0.9
107.04948	2.4
107.08625	0.4
109.06539	0.5
109.10162	0.4
111.04430	0.8
115.05402	0.6
117.06995	0.9
121.06503	1.2
121.10096	0.4
123.04362	0.6
124.05165	0.5
125.05982	1.0
126.99983	0.5
127.03907	1.0
129.07001	0.4
131.04884	0.6
131.08521	0.4
133.06471	0.4
135.04391	1.1
137.05994	0.9
138.03136	0.5
139.03793	0.5
139.07471	0.5
145.06483	1.2
147.04430	0.6
149.05960	1.8
151.03955	0.4
161.05994	0.6
163.03896	4.1
167.07031	8.1
171.06604	0.4
173.06017	0.7
175.07478	0.5
175.75642	0.4
177.05470	1.0
181.04947	11.0
181.08574	1.0
182.05342	0.4
185.04228	0.5
186.06537	1.4
187.07468	1.2
193.08667	0.4
195.06552	0.5
201.05446	1.0
209.08067	2.5
218.05701	0.4
219.10097	0.6
221.08098	0.9
227.05247	1.7
233.08055	4.8
245.07971	0.7
251.09251	0.7
263.09164	1.1
265.09024	0.5
271.04224	4.3
303.05017	0.5
331.07755	0.4
331.11414	0.6
349.12585	4.0
367.12103	0.5
371.15326	0.4
373.12701	0.8
378.34189	0.4
387.14285	1.1
391.13605	27.7
392.13950	1.5
399.14499	0.8
417.15546	3.2
435.12613	100.0
436.12997	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	435.1285
Annotation	Naringenin 4'-O-glucoside
Peak:m/z	Relative Intensity
50.31856	0.7
53.03941	3.8
53.45454	0.9
55.01864	3.5
56.17859	0.8
57.03435	4.8
59.05005	1.2
61.02918	5.7
63.44540	0.8
65.03926	1.4
67.05495	1.0
68.99792	2.9
69.03426	17.2
71.01337	0.9
71.04993	3.4
71.61353	1.0
73.02920	2.1
79.05485	1.8
81.03422	5.9
81.07065	1.0
83.04977	2.8
85.02904	43.5
86.09724	1.6
87.04469	2.3
87.09220	0.8
91.03951	2.8
91.05479	3.2
91.59546	0.9
95.04967	9.6
97.02881	16.8
99.04460	3.2
99.70245	0.8
103.05458	0.9
105.07027	1.0
107.04949	100.0
108.05278	2.1
109.02903	4.5
111.00810	1.9
111.04454	3.3
119.04939	27.9
121.02866	3.1
121.06517	4.6
123.04424	26.0
127.03907	8.0
131.04892	3.5
133.06511	4.7
135.04451	4.0
139.03899	48.4
145.04932	7.0
145.06538	1.5
147.04405	10.1
147.08084	1.5
149.02353	5.3
149.05991	1.2
151.03893	20.6
151.05098	1.0
157.06468	1.4
161.05978	3.2
163.03891	8.9
169.12282	1.4
173.06009	2.0
179.03322	1.8
181.06465	1.2
185.06059	1.3
187.07436	1.1
199.07413	0.9
215.06990	4.5
217.04921	0.8
227.07027	1.8
231.06573	1.4
239.07120	1.1
243.06541	6.6
245.08116	9.8
255.06546	4.9
257.08072	19.5
257.10574	1.6
273.07556	28.3
273.13153	1.0
287.18686	0.8
435.17984	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	435.092
Annotation	Quercetin-3-Arabinoside
Peak:m/z	Relative Intensity
53.03950	0.5
55.01650	0.3
55.01871	2.8
57.03433	3.4
58.01595	0.3
61.02907	0.8
62.40686	0.3
65.03931	0.4
68.99785	0.7
69.03436	2.4
69.49759	2.1
71.01330	0.5
73.02910	1.5
81.03410	0.4
83.04960	0.6
85.02891	2.5
87.04436	0.5
89.03930	0.4
91.91654	0.3
93.03393	0.4
95.04988	0.4
97.02879	1.2
103.03914	0.6
106.50745	0.3
107.04945	0.4
109.02865	0.5
111.00800	0.6
111.04465	0.4
115.03918	1.0
115.46729	0.3
116.48502	0.3
121.02853	1.2
123.04437	0.6
127.03909	0.6
131.04840	0.4
133.04993	1.7
135.04442	1.7
137.02330	5.0
141.91966	0.3
145.02818	0.7
145.06429	0.3
149.02278	0.4
153.01825	4.0
159.04385	0.3
163.03899	6.2
165.01830	2.3
167.07022	1.9
177.01927	0.4
177.05611	0.3
181.04936	0.7
183.02870	1.1
183.04399	0.6
187.03893	0.6
189.05424	0.3
191.03397	0.4
193.15466	0.3
201.05457	1.9
205.24864	0.3
211.03973	0.3
229.04927	4.7
240.07426	0.3
247.06078	0.8
257.04373	3.1
271.06003	0.3
273.06964	0.4
274.04657	1.1
285.03937	1.7
302.04370	0.4
303.04977	100.0
304.05338	3.1
315.04926	5.9
316.05551	0.7
327.04968	1.1
329.06558	0.8
341.06619	1.3
345.06027	5.0
353.06531	1.5
357.06161	0.7
369.06061	3.2
370.06149	0.4
381.05960	1.2
390.96570	0.3
399.07062	4.5
417.08151	2.5
423.24081	0.3
434.68073	0.3
435.09195	3.6
439.44528	0.3
449.60336	0.3
453.96191	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	1.5
57.03437	31.2
59.04986	3.1
60.05531	1.3
61.02921	13.8
67.05505	1.8
67.76331	1.4
69.03426	59.4
69.79996	7.3
71.01353	3.9
71.04982	6.5
73.02916	61.2
74.90597	1.3
79.05493	2.1
81.03419	8.3
83.04979	2.3
85.02902	100.0
86.03277	1.4
87.04465	20.2
91.03968	3.3
91.05505	2.2
95.04939	1.9
97.02889	67.9
98.20771	1.4
99.04451	8.3
103.03931	3.2
105.07051	8.0
107.04955	5.5
107.08602	1.6
109.02867	8.0
111.04407	2.1
115.03923	88.2
117.07005	1.7
123.04440	3.2
127.02970	2.2
127.03906	31.0
129.06992	1.4
133.04962	52.6
133.06485	3.1
133.10118	2.9
135.04427	1.4
137.05878	1.3
145.04950	39.7
147.08046	2.3
150.07629	11.5
151.11111	1.8
161.05959	1.7
163.03915	3.4
163.06003	46.4
163.07382	2.5
167.07048	5.6
180.08630	3.1
181.04977	14.0
193.05022	2.0
195.02928	3.5
201.09105	5.9
212.71899	1.4
219.10190	4.7
223.06050	5.3
233.08124	5.0
241.07010	8.2
255.12209	1.8
259.08109	7.9
263.09134	2.4
271.09473	1.8
272.10068	1.6
277.09048	2.8
285.07300	2.4
285.13370	5.5
287.05298	1.7
288.05847	5.2
295.10217	9.0
341.08054	1.7
342.20572	1.3
404.14288	1.9
417.15372	1.8
435.15979	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.1807
Annotation	Naamidine D
Peak:m/z	Relative Intensity
53.03946	0.6
55.01873	0.5
57.03427	1.1
61.02932	1.7
69.03426	5.1
69.41344	2.5
71.01331	0.3
71.04964	0.7
73.02910	0.9
75.53810	0.3
79.05487	0.9
81.03403	1.5
83.04977	0.6
85.02900	8.2
87.04458	1.0
91.03934	0.4
91.05475	0.9
93.07025	0.3
93.43259	0.2
95.04961	1.1
97.02883	4.2
97.03437	0.5
98.20670	0.6
99.04447	0.8
101.02376	0.3
103.05462	0.9
105.07011	0.8
107.04948	76.1
108.05293	0.8
108.08050	0.3
108.34944	0.2
109.02875	1.5
115.05445	6.7
115.06245	0.3
117.07016	0.7
119.04948	0.7
121.02873	1.1
121.06490	3.2
123.04422	9.3
127.03909	2.2
131.04926	3.5
133.06476	1.4
135.04408	1.0
135.06754	0.4
136.07510	0.4
137.05962	0.9
139.03874	0.3
143.04913	14.5
145.05075	0.7
145.06471	8.6
147.04417	0.6
148.05203	1.6
149.06004	0.9
151.07451	0.3
161.05971	13.9
163.03894	1.5
163.07518	2.3
164.07068	7.7
170.10272	0.3
171.08061	0.3
178.08606	0.6
181.06525	0.5
181.10114	0.6
191.08585	0.8
194.07248	1.0
195.08061	0.4
209.06137	0.3
209.09586	3.0
214.73053	0.2
219.08073	0.7
219.10004	0.3
222.06900	0.3
226.06259	0.7
227.10608	0.6
231.04956	0.6
234.06230	0.3
237.09084	3.7
237.11302	1.3
240.07895	0.7
255.10153	35.4
256.10516	0.9
270.11322	0.3
272.12796	37.8
273.13049	0.9
282.54068	0.3
360.94531	0.3
367.72760	0.3
434.18027	100.0
435.18369	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	434.202
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	3.1
57.03437	10.0
61.02918	3.3
63.60200	0.8
69.03431	5.9
70.71788	1.7
70.72149	2.0
71.04994	1.3
75.04477	4.1
75.31055	0.8
77.03893	0.7
79.05495	0.9
81.03412	1.7
83.04973	1.2
85.02426	1.3
85.02906	15.1
91.03955	0.8
91.05470	6.5
91.61003	0.7
93.07026	3.1
95.04958	1.6
97.02908	4.5
99.04430	1.2
103.05467	26.4
105.03394	1.1
105.07019	2.3
105.11404	0.8
107.04284	1.2
107.04955	15.6
109.02877	1.7
109.06517	1.3
110.03654	4.5
115.05454	1.7
117.06986	0.9
119.04948	10.7
120.05709	0.9
121.06506	6.3
123.04430	15.7
124.05183	2.9
127.03931	4.7
130.04129	1.2
131.04922	100.0
132.05251	2.2
133.06485	2.4
135.04407	2.2
135.08029	1.8
137.05962	21.2
138.06773	12.8
139.03877	1.4
141.06862	0.8
143.04910	1.5
145.04951	1.8
145.06470	1.7
147.04399	1.9
148.05180	13.8
149.06007	1.1
151.07539	8.9
151.11101	0.9
161.05943	5.1
162.06711	1.3
163.03906	5.3
163.07538	62.4
164.07974	1.5
166.06256	19.5
167.06824	1.0
173.09561	0.9
175.07545	1.9
179.07086	4.1
180.07722	1.3
181.08586	25.2
181.10179	1.4
190.89648	0.8
201.09198	1.1
207.10167	1.6
219.10146	2.6
237.09081	1.5
237.11212	15.0
250.18840	0.9
255.10213	4.0
255.12300	57.4
256.12567	1.4
272.10196	0.9
272.12802	5.0
273.07523	1.6
399.16553	1.3
434.18207	13.8
435.18372	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.1808
Annotation	Naamidine D
Peak:m/z	Relative Intensity
51.02366	0.5
53.03926	1.3
55.01868	1.0
57.03424	1.3
57.63227	0.4
61.02913	1.7
62.84301	0.3
64.36144	0.4
69.03426	5.9
69.77296	1.1
69.77712	1.9
71.04989	0.7
73.02917	1.3
77.03890	0.4
79.05478	1.1
81.03411	1.9
81.07070	0.5
85.02904	9.1
86.70648	0.4
87.04450	0.9
91.03972	0.5
91.05476	2.2
93.07029	0.8
95.04952	2.0
97.02887	3.3
98.97544	0.4
99.04466	0.7
103.05450	0.8
105.07035	1.1
107.04950	99.1
108.05297	0.9
109.02876	1.1
112.18858	0.4
115.05453	6.1
117.07025	1.4
119.04907	0.7
121.06504	3.4
123.04420	15.0
123.11716	0.5
127.03912	1.5
131.04956	2.0
132.43790	0.4
133.06458	2.5
136.07547	0.6
137.05978	1.8
138.05475	0.7
140.07074	0.7
143.04918	12.2
145.05153	0.6
145.06477	10.4
149.05981	3.2
155.05972	0.6
161.05975	28.5
163.03944	0.9
164.07053	5.2
181.06483	0.6
191.08543	1.1
194.07262	1.2
200.07280	0.4
209.09613	2.4
210.04358	0.4
210.06470	0.9
219.01894	0.5
219.08058	0.9
226.06212	0.9
237.02879	0.6
237.09047	3.7
240.07811	1.0
243.10201	0.4
255.10150	30.8
271.09467	0.5
272.12787	24.2
387.46207	0.5
422.34216	0.5
434.18112	100.0
435.18521	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	434.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.5
55.01881	0.2
57.03433	2.3
58.24047	0.2
61.02911	1.1
65.93345	0.2
67.94815	0.2
69.03429	2.6
69.49332	0.8
69.49763	1.0
71.01357	0.3
71.04980	0.5
73.02922	4.9
77.03913	0.4
81.03416	0.6
85.02428	0.3
85.02907	3.9
86.09698	0.3
91.05459	0.4
95.04971	19.4
96.05320	0.3
97.02895	3.0
98.97588	0.4
103.05466	0.6
103.13397	0.2
105.04534	0.2
107.04955	4.7
107.05621	0.4
109.02899	0.4
110.06094	0.3
111.45065	0.2
115.03922	2.0
119.04919	0.3
121.06510	2.4
121.17129	0.2
123.04428	100.0
124.04784	0.8
127.03931	1.4
129.05553	0.2
131.04921	1.0
133.04962	0.3
137.05972	0.3
138.05444	0.2
145.04985	0.9
147.04387	0.3
149.05931	0.6
151.07512	0.4
163.03877	0.3
163.07538	1.0
179.07201	0.3
211.07175	0.2
237.02681	0.3
241.07387	0.3
255.12399	0.6
272.12958	0.4
285.09793	0.9
430.62369	0.2
434.15256	0.3
434.18307	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	4.3
55.01872	12.2
57.03421	5.0
58.06594	6.9
61.02896	5.7
62.86329	1.4
68.99777	2.6
69.03426	32.1
71.04971	6.6
71.61406	2.5
73.02901	7.0
77.39278	1.5
78.03435	2.1
81.02964	2.6
81.03413	24.6
83.04965	3.3
84.08115	1.5
85.02901	100.0
87.00829	14.9
87.98777	1.3
91.05481	12.0
93.07016	2.5
95.04919	2.9
96.04425	1.4
97.02876	21.7
99.04443	16.3
105.01844	11.3
105.07010	2.4
106.02895	10.4
107.04949	60.6
109.02873	29.4
115.03976	1.7
115.05424	5.1
119.04951	9.3
121.02898	2.2
121.06499	8.2
121.10106	2.0
123.04396	10.3
124.03958	16.5
127.03911	58.7
129.01811	5.9
133.06425	3.0
135.04390	6.0
136.03976	1.6
137.05971	4.2
139.03900	5.0
143.04918	7.5
145.04938	28.3
145.06418	6.0
147.02898	4.7
147.04405	3.3
149.05905	1.9
149.09592	1.6
151.03949	1.7
151.07518	27.4
151.08650	2.3
151.11169	2.2
159.02892	7.9
161.05981	7.4
163.03905	9.2
164.07019	3.9
165.09105	3.8
170.12669	1.7
175.07579	1.6
181.06374	1.7
189.04001	2.2
189.09070	4.8
193.08600	8.7
195.99942	2.5
201.68985	1.5
203.07086	1.8
207.08057	1.5
209.02664	2.6
209.09694	1.7
211.02185	6.8
213.03932	4.7
213.09215	1.4
226.09529	1.4
231.04968	28.3
231.10162	2.9
235.09592	9.3
249.06017	13.3
250.07060	6.0
253.08530	3.1
254.08899	3.8
255.10146	16.7
259.09619	6.1
268.08267	3.3
271.09537	2.4
272.09854	6.9
272.12781	23.6
273.07532	2.6
277.10645	15.6
296.89261	1.6
330.78751	1.4
381.11823	3.5
396.39783	1.6
434.18509	51.8
435.17365	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2796
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.5
55.01874	2.9
55.05510	16.1
57.03429	7.8
57.07065	4.7
65.03925	2.1
67.05504	23.5
69.03432	10.4
69.07069	28.1
71.04984	14.6
71.50814	4.5
73.02903	2.5
75.04465	6.6
79.05509	11.8
81.03416	17.2
81.07052	30.2
83.04967	5.2
83.08626	16.4
84.04492	4.2
85.02902	47.7
85.06516	4.2
91.05469	8.8
93.07039	15.3
95.04971	5.4
95.08599	31.4
97.02886	23.1
97.06507	5.6
97.10163	18.1
99.04431	6.4
99.08061	2.5
105.07022	10.5
105.50316	1.9
107.04961	5.7
107.08570	11.2
109.02882	17.5
109.10121	12.6
111.04430	6.2
111.08066	3.6
111.11702	8.4
117.06983	2.1
119.08607	11.2
121.02840	2.6
121.06474	2.0
121.10142	17.0
123.11706	6.6
125.06018	2.2
125.09603	3.5
125.13267	3.5
127.03911	34.1
129.05510	3.5
129.06984	2.4
131.04886	2.9
131.08540	2.5
133.06483	2.8
133.10150	12.7
135.11636	11.5
137.05969	5.4
137.09592	2.5
138.04895	2.0
139.11113	2.8
145.05008	4.0
147.11699	10.8
149.09584	3.1
149.13208	4.2
153.01819	5.6
153.12732	3.3
161.05989	2.3
161.13245	7.5
163.03905	8.4
163.14735	2.7
165.12662	2.6
167.07062	5.5
181.04974	15.3
186.25972	2.1
199.22021	1.9
207.06551	2.9
213.05634	2.4
217.19522	13.5
235.13229	2.2
235.20526	14.2
253.21605	12.1
255.46063	2.2
271.10141	2.1
271.22766	3.7
287.05484	100.0
288.05856	9.1
310.38199	2.2
343.22641	4.6
361.23764	7.9
379.24979	13.8
380.25146	2.0
397.25894	10.3
403.13687	5.7
433.15485	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	433.2796
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.5
55.01874	2.9
55.05510	16.1
57.03429	7.8
57.07065	4.7
65.03925	2.1
67.05504	23.5
69.03432	10.4
69.07069	28.1
71.04984	14.6
71.50814	4.5
73.02903	2.5
75.04465	6.6
79.05509	11.8
81.03416	17.2
81.07052	30.2
83.04967	5.2
83.08626	16.4
84.04492	4.2
85.02902	47.7
85.06516	4.2
91.05469	8.8
93.07039	15.3
95.04971	5.4
95.08599	31.4
97.02886	23.1
97.06507	5.6
97.10163	18.1
99.04431	6.4
99.08061	2.5
105.07022	10.5
105.50316	1.9
107.04961	5.7
107.08570	11.2
109.02882	17.5
109.10121	12.6
111.04430	6.2
111.08066	3.6
111.11702	8.4
117.06983	2.1
119.08607	11.2
121.02840	2.6
121.06474	2.0
121.10142	17.0
123.11706	6.6
125.06018	2.2
125.09603	3.5
125.13267	3.5
127.03911	34.1
129.05510	3.5
129.06984	2.4
131.04886	2.9
131.08540	2.5
133.06483	2.8
133.10150	12.7
135.11636	11.5
137.05969	5.4
137.09592	2.5
138.04895	2.0
139.11113	2.8
145.05008	4.0
147.11699	10.8
149.09584	3.1
149.13208	4.2
153.01819	5.6
153.12732	3.3
161.05989	2.3
161.13245	7.5
163.03905	8.4
163.14735	2.7
165.12662	2.6
167.07062	5.5
181.04974	15.3
186.25972	2.1
199.22021	1.9
207.06551	2.9
213.05634	2.4
217.19522	13.5
235.13229	2.2
235.20526	14.2
253.21605	12.1
255.46063	2.2
271.10141	2.1
271.22766	3.7
287.05484	100.0
288.05856	9.1
310.38199	2.2
343.22641	4.6
361.23764	7.9
379.24979	13.8
380.25146	2.0
397.25894	10.3
403.13687	5.7
433.15485	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	433.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39350	0.6
53.03944	0.6
57.07079	1.4
67.05502	6.2
69.07056	2.5
69.30358	4.6
69.30767	1.4
79.05489	6.5
81.07053	100.0
82.07388	1.0
91.05491	1.9
93.07044	2.9
95.08603	16.4
98.98454	0.8
102.94585	0.6
105.07021	3.4
107.04990	1.6
107.08614	2.8
109.10150	1.9
119.08553	0.8
121.10159	1.2
131.08607	0.8
133.06477	0.9
133.10123	1.6
135.11707	1.8
137.13251	33.4
138.13620	0.8
145.06497	1.1
147.04416	1.1
152.06149	0.5
157.06479	1.3
159.04546	0.5
167.08545	0.7
169.06519	1.1
169.10088	0.7
177.05446	7.5
181.06555	0.6
181.10249	0.8
183.08099	1.3
185.05965	0.7
187.07576	1.4
191.07092	1.2
195.08055	2.4
197.06003	1.0
197.09622	2.1
209.09602	2.1
211.11168	0.9
215.07033	1.7
220.82117	0.5
223.07571	1.3
223.11215	0.7
227.07033	1.3
236.12088	0.5
237.09109	2.3
237.12776	1.0
239.14304	2.9
241.08566	4.8
251.10622	0.6
251.14354	0.9
253.15945	1.0
255.10185	1.6
261.12598	0.8
269.49213	0.6
271.06107	1.1
279.13776	3.5
281.12573	0.7
281.15356	3.6
297.11557	1.1
297.14844	14.7
351.19672	0.9
377.21103	2.3
386.14612	0.6
433.20279	1.6
433.27380	25.3
434.27792	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20883	0.6
53.03930	1.0
55.05511	0.8
57.07069	2.5
67.05508	5.6
67.39493	0.5
69.07061	2.2
71.08649	0.8
79.05496	6.1
79.25542	0.6
81.07056	100.0
82.07394	1.7
83.77074	0.6
91.05496	1.7
93.07031	5.0
95.08608	13.3
98.98457	0.7
105.07053	3.6
107.04962	1.8
107.08598	6.2
109.10169	2.2
115.26462	0.6
119.08586	1.2
120.96679	1.3
121.10139	1.0
127.03841	0.8
131.08578	0.7
133.10104	1.5
135.11714	4.0
137.13248	38.6
147.04419	1.1
153.01845	0.8
159.08119	0.6
173.06085	0.8
177.05495	6.4
187.07582	2.2
191.07053	0.9
197.09708	0.8
205.05141	1.0
209.09882	0.7
237.08919	0.8
241.08649	1.9
251.10770	1.0
251.14508	0.8
255.10289	0.8
271.06055	1.1
279.13947	2.7
281.15332	1.2
297.14844	12.2
313.27463	2.2
415.28394	9.0
433.22968	1.2
433.28336	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	0.4
55.05503	0.8
57.07071	1.2
59.71512	0.3
65.03936	0.7
67.05507	6.2
69.07080	1.9
69.55635	2.9
79.05495	5.4
81.07055	100.0
82.07397	1.3
83.08637	0.6
91.05480	0.6
93.07044	0.7
95.08604	24.4
98.20748	0.6
105.07026	0.9
107.08594	0.7
108.73373	0.3
109.10135	2.2
114.54556	0.4
119.08565	0.4
121.10175	0.7
124.91520	0.3
127.80370	0.3
131.04947	0.4
133.10135	0.7
137.13254	35.0
138.13585	0.4
152.06107	0.5
153.06935	0.4
165.07062	0.4
167.08594	1.9
167.09843	0.3
174.64517	0.3
177.05481	3.4
177.06931	0.5
179.08615	0.6
181.06544	0.7
185.05841	0.3
191.07031	0.4
195.08043	3.7
197.06071	0.4
199.07693	0.5
201.05476	5.7
205.06548	0.6
209.09625	0.8
211.07784	0.3
215.07013	0.9
223.07513	4.0
229.08746	0.5
237.09076	3.9
237.12662	0.5
241.08575	9.1
242.52158	0.4
251.14445	0.5
254.13187	0.4
255.10175	1.7
279.13803	1.8
297.14850	8.5
298.15051	0.4
337.18024	0.9
377.21106	13.0
391.22485	0.4
433.27396	33.2
434.27814	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.274
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30112	0.5
53.03939	1.3
55.05507	0.9
56.47183	0.5
57.07069	1.7
63.09457	0.4
65.03952	0.7
67.05510	5.7
69.07069	2.2
70.18945	1.9
71.51363	0.5
79.05491	6.1
81.07056	100.0
82.07392	1.8
91.05461	1.2
92.39663	0.6
93.07046	1.7
95.04987	0.6
95.08604	17.7
105.07069	1.2
107.04958	3.5
107.08610	1.8
109.10170	1.2
119.08578	0.7
121.10171	0.7
126.18532	0.5
133.06499	0.6
133.10112	1.1
135.11670	1.2
137.13258	37.9
138.13599	0.6
145.06543	0.7
147.04440	0.7
147.07980	0.6
157.06519	0.6
165.06979	0.7
169.02704	0.6
173.05927	0.6
177.05495	2.1
181.10091	0.5
183.08080	1.2
191.07074	1.1
195.08049	1.1
209.09746	0.9
219.08240	0.7
221.22787	0.5
223.07585	1.3
223.11122	0.6
237.09193	1.3
239.14438	1.2
261.12781	0.7
271.06046	1.4
279.13892	2.3
297.14832	15.4
298.15176	0.8
433.27496	5.2
434.27496	0.6
447.98926	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	0.9
55.94132	0.7
57.07055	1.0
57.49994	0.9
67.05494	4.4
69.07061	1.8
69.26372	2.4
69.26791	7.1
76.43105	0.7
79.05499	6.9
81.07056	100.0
82.07392	1.4
91.05469	1.9
93.07044	4.7
94.15772	0.7
95.04957	1.5
95.08609	13.1
105.07030	3.7
107.08577	7.1
109.10154	1.7
113.00040	1.3
117.07058	1.2
119.08583	1.8
120.16372	0.9
121.10191	0.7
126.43253	0.7
133.06543	1.2
133.10129	3.7
134.10518	0.7
135.11687	4.3
137.13258	31.4
138.13623	0.9
145.06509	1.8
147.04431	1.2
155.95071	0.8
169.02592	1.9
173.06007	2.7
177.05444	2.7
181.10103	0.9
187.07484	0.9
191.07007	2.6
195.07994	1.7
197.06012	2.3
197.09618	2.8
201.05501	2.1
209.09677	0.9
211.07391	1.3
215.07031	4.9
221.09659	1.4
223.07544	3.4
237.09145	2.4
237.12788	0.9
239.14322	3.6
241.08600	1.7
249.44749	0.8
261.12784	3.6
279.13815	10.6
281.15363	5.9
282.15796	1.0
297.14902	8.1
337.18167	0.9
349.09833	0.8
433.27310	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	433.2353
Annotation	PA(18:3(9Z,12Z,15Z)/0:0)
Peak:m/z	Relative Intensity
53.03931	3.0
55.05512	9.9
57.03438	9.6
57.07057	3.1
67.05506	44.4
69.07070	11.8
70.99807	4.5
71.05011	2.1
71.08624	5.4
75.04473	1.7
79.05496	26.5
81.07058	56.4
82.07369	1.5
83.08611	3.1
85.06519	2.9
85.10172	2.0
86.59483	1.5
91.05489	15.0
93.07048	39.6
95.04974	5.7
95.08607	48.2
97.06519	2.4
97.10183	2.5
98.98469	51.0
99.08102	5.5
105.07032	14.7
107.08595	28.4
109.10144	14.6
109.80316	1.7
111.08092	2.2
113.09705	2.1
116.99527	2.2
117.07011	4.0
119.04979	1.7
119.08570	13.3
120.08918	1.9
120.45976	1.7
121.10138	17.7
123.11711	5.6
124.71928	1.4
125.73464	1.7
131.08571	14.3
133.10159	8.7
135.08084	2.0
135.11694	15.0
137.13254	6.2
145.10123	6.9
147.04367	5.4
147.11688	6.6
149.09567	1.4
149.13260	7.9
151.11180	1.9
155.01057	9.1
158.49072	1.7
159.11681	7.6
161.13246	5.4
163.11063	2.1
163.14873	11.7
173.02150	9.4
173.13271	6.6
175.14728	2.5
177.16391	3.7
187.14827	3.2
194.15047	1.5
201.16411	1.7
215.17886	1.6
233.22556	3.4
243.21089	23.6
253.15840	2.1
261.22147	43.2
279.23175	6.5
317.24692	5.9
320.99863	1.7
335.25790	100.0
336.26273	4.2
391.17435	3.2
415.22833	1.8
433.18497	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	433.2348
Annotation	PA(18:3(9Z,12Z,15Z)/0:0)
Peak:m/z	Relative Intensity
54.28941	2.7
55.05509	9.2
56.96564	5.6
57.03426	8.6
57.07066	4.3
60.15699	2.9
67.05507	53.8
67.05847	1.8
69.07054	12.1
71.58898	4.7
79.05492	38.7
81.07053	54.3
83.04987	3.8
83.08609	7.8
83.60271	2.5
91.05475	24.9
93.07044	49.9
95.04978	5.3
95.08611	46.2
97.10121	3.2
98.98465	49.5
101.62872	3.1
105.07061	17.1
107.08587	45.4
109.06551	3.5
109.10147	44.4
110.10529	3.5
117.07029	7.4
118.39184	2.7
119.04942	8.5
119.08566	10.7
121.02795	3.1
121.10146	21.4
123.11744	4.7
131.08582	13.5
133.10138	11.3
135.11697	26.4
137.13228	3.7
145.10121	8.7
147.04407	26.2
147.11703	3.9
149.13260	11.9
151.11205	3.8
151.14795	4.1
153.12727	3.1
155.01013	5.2
159.11685	11.6
161.13292	6.1
163.03935	7.5
163.14789	7.6
171.11736	2.8
173.02126	7.0
173.13235	6.7
177.16432	3.8
187.14824	3.2
219.08122	4.9
237.09065	6.1
239.02277	3.0
243.21111	20.2
257.03275	6.9
261.22131	39.3
317.24683	8.5
335.25800	100.0
453.42480	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	433.235
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.6
55.05520	8.9
55.82787	1.4
57.03441	10.7
57.07072	2.6
67.05505	45.4
69.07079	9.1
71.44814	2.4
75.04469	1.6
79.05059	1.9
79.05495	25.5
81.07055	53.2
83.08617	4.7
85.06531	2.0
91.05481	14.4
93.07044	31.6
95.04947	1.5
95.08603	39.4
97.06505	2.3
97.10151	2.4
98.98466	63.8
105.07040	10.7
107.08588	22.5
109.06606	1.5
109.10159	18.7
117.07005	4.2
119.08587	9.3
121.10154	17.1
123.11697	10.5
131.08574	9.9
133.10123	6.8
133.16972	1.6
135.11693	14.4
137.13255	3.2
145.10089	7.0
147.11717	6.6
149.13258	11.4
155.01033	8.1
159.11685	6.8
161.13219	6.2
163.14848	7.2
173.02109	13.1
173.13254	6.8
175.14912	2.6
177.16423	1.8
187.14832	4.4
201.16319	2.2
233.22609	3.1
243.21118	15.6
261.22141	38.0
262.22549	1.4
275.37091	1.3
317.24670	7.1
335.25803	100.0
336.26224	2.0
415.22223	1.5
424.64136	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2349
Annotation	PA(18:3(9Z,12Z,15Z)/0:0)
Peak:m/z	Relative Intensity
50.10557	1.1
53.03942	1.5
54.59946	1.0
55.05514	8.0
57.03441	9.3
57.07065	2.2
65.03952	1.5
67.05505	40.8
68.37508	1.2
69.07063	8.5
71.08595	1.8
71.21864	1.4
75.04493	1.9
79.05493	21.0
81.06574	2.3
81.07054	46.8
83.04984	1.4
83.08622	3.1
86.82361	1.1
91.05482	11.3
93.07044	24.9
95.04990	2.2
95.08604	39.7
97.06536	2.5
97.10146	2.1
98.98465	54.2
99.88094	1.0
105.07032	8.6
107.08590	20.5
109.09459	1.6
109.10152	19.0
116.99525	2.2
117.07047	3.2
119.08572	7.8
121.10149	17.7
123.11705	10.0
126.06793	1.2
131.08572	9.2
133.10136	6.1
135.11671	13.9
137.09563	1.5
137.13287	2.5
145.10133	6.0
147.11664	5.7
149.13274	8.9
149.48816	1.1
151.14743	1.3
155.01031	8.1
159.11682	6.7
161.13239	5.3
163.14828	8.4
173.02115	12.3
173.13266	7.4
175.14804	1.8
177.16466	1.9
187.14796	3.3
201.16417	1.4
215.17921	1.2
233.22565	1.8
241.08688	1.2
243.21068	14.7
244.92261	1.1
261.22156	40.7
262.22586	1.6
317.24695	6.4
335.25784	100.0
336.26178	4.0
415.22339	3.0
433.23578	1.6
449.34790	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2349
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45387	0.8
52.09874	0.8
53.03950	1.2
55.05508	9.1
57.03432	10.0
57.07067	3.6
65.03938	2.0
67.05502	45.2
69.07075	8.2
69.19910	1.1
71.02894	2.8
71.08604	1.8
79.05489	32.0
81.07053	52.3
83.04961	1.4
83.08620	5.4
83.32376	0.9
85.06534	1.6
85.10161	1.7
91.05470	16.8
93.07037	35.0
95.04947	3.1
95.08602	40.1
97.06505	1.9
97.10155	3.2
98.98463	45.1
99.08078	1.7
105.07017	12.3
107.04897	1.2
107.08584	27.2
109.06523	2.6
109.10146	15.3
111.08068	1.1
113.09637	2.2
116.99488	2.6
117.07016	2.8
118.67918	1.0
119.08579	9.6
121.10131	16.0
123.11708	6.7
129.05460	1.6
131.08569	11.0
133.10115	8.4
135.08012	1.1
135.11668	15.6
137.13213	2.2
140.01027	1.0
145.10092	7.0
147.04404	2.7
147.11697	5.1
149.13232	9.0
151.11192	1.8
151.14708	1.7
155.01045	7.2
159.11670	7.4
161.13290	5.9
163.03915	3.8
163.11165	1.4
163.14801	7.5
171.11736	1.2
173.02100	10.3
173.13281	5.9
175.14806	2.6
177.16374	3.7
187.14832	3.7
201.16406	1.2
217.19450	1.6
233.22554	4.2
243.21104	21.2
261.22125	37.5
261.97443	1.1
262.22473	1.9
265.88821	1.0
277.21786	1.0
279.23187	1.1
299.91724	0.9
317.24582	4.8
335.25784	100.0
336.26044	6.1
415.22549	2.4
418.43439	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2351
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.0
55.05513	9.4
57.03435	10.6
57.07059	3.0
67.05505	41.4
69.07069	8.5
71.40273	2.1
71.40616	2.3
79.05494	27.8
81.07057	50.4
83.08615	4.9
87.32686	1.2
91.05479	13.0
93.07046	34.1
95.04987	1.6
95.08607	35.7
97.10166	2.0
98.98470	59.2
99.08135	1.6
101.32352	1.5
105.07023	13.4
107.04934	1.5
107.08595	21.4
109.06555	1.6
109.10167	17.7
110.48659	1.2
116.99493	1.6
117.07031	4.5
119.08597	7.9
121.10147	20.6
123.11701	7.4
125.09588	1.7
131.08586	7.9
133.10130	9.1
135.11703	15.1
137.13219	3.8
145.10143	8.2
147.11707	7.4
149.13266	12.3
151.14815	1.4
155.01042	7.3
159.11639	7.1
161.13268	6.2
163.14836	4.8
166.45567	1.4
173.02109	13.5
173.13255	6.2
175.14778	2.2
187.14804	3.8
217.19542	1.3
219.98331	1.3
243.21059	12.3
261.22141	40.6
262.22565	1.8
279.23306	2.1
305.25003	1.6
317.24802	7.0
318.25623	1.3
335.25812	100.0
336.26062	4.2
415.22394	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03882	0.9
53.03947	1.8
54.95927	0.9
55.01869	5.8
56.68265	0.9
57.03436	32.1
59.05006	1.4
61.02928	13.6
62.29943	0.8
69.03426	38.9
70.06579	1.3
71.01363	6.1
71.04982	2.9
71.59521	1.7
72.08167	1.9
72.69683	1.0
73.02916	70.1
79.05476	1.9
81.03425	6.9
85.02901	100.0
85.07667	1.1
87.04465	5.3
91.03946	5.0
91.05473	7.8
93.07041	4.3
95.04970	5.5
95.08601	1.5
97.02890	64.8
98.98457	1.5
99.04464	2.6
103.03954	4.1
103.05447	4.8
104.05809	1.5
105.07045	2.8
107.04950	8.0
107.08571	1.5
109.02907	6.0
115.03929	47.7
115.05464	4.5
117.07012	10.9
120.51198	1.1
121.02863	1.1
121.06501	71.9
122.06876	1.5
123.04420	21.5
127.02970	1.3
127.03915	22.6
128.06235	4.6
129.07010	3.1
131.04910	7.0
131.08559	5.9
132.05267	1.5
133.04965	14.3
133.06525	3.7
135.08063	4.0
139.03894	1.2
141.06963	5.2
143.08560	2.4
144.05731	3.6
145.04971	33.3
145.06493	37.0
147.08058	2.8
149.04916	0.9
149.05969	6.5
150.06342	3.6
151.06482	1.2
151.07545	7.5
153.06929	1.9
155.08546	2.0
157.05194	1.0
157.06488	5.8
158.07277	1.7
159.08035	17.5
161.03023	1.5
161.06006	2.4
163.03931	1.7
163.06038	11.7
163.07561	14.5
169.06398	5.0
171.07979	6.2
173.05905	1.7
175.06023	2.4
175.07545	40.9
177.09068	1.5
179.07059	6.4
181.06496	1.2
181.08618	1.3
183.08058	3.0
185.05998	3.5
187.07539	51.3
188.07895	1.6
189.09070	5.2
199.07532	10.1
200.07945	1.1
201.09120	3.6
205.08604	32.2
217.08603	39.8
218.08965	1.2
223.06029	2.6
229.08583	13.9
235.09650	33.8
241.07079	4.6
247.09673	16.8
253.10780	6.7
258.88718	1.0
259.08124	3.5
265.10706	11.5
271.09540	5.7
295.10211	3.4
433.15002	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1128
Annotation	Kaempferol-3-Rhamnoside
Peak:m/z	Relative Intensity
55.01855	0.4
57.03440	3.7
57.61047	0.4
68.99791	0.6
69.03424	0.9
69.67963	1.1
69.68376	2.0
70.06570	0.5
71.04989	26.0
73.02906	0.5
73.04671	0.4
75.04482	1.2
81.07038	0.5
83.04958	0.9
85.02901	27.2
86.09709	0.5
87.04454	0.8
96.30863	0.5
101.64761	0.5
107.04951	0.8
111.00763	0.7
111.04425	0.6
121.02873	3.1
127.03873	0.4
129.05469	7.7
133.02837	0.4
137.02257	0.5
143.03212	0.4
147.04323	0.7
147.06531	1.3
147.54520	0.4
153.01822	3.6
157.06537	0.4
165.01834	1.8
181.04932	0.4
183.02972	0.9
213.05441	1.1
231.06454	0.8
241.04955	0.8
247.37984	0.4
258.05261	1.4
271.06027	1.2
283.05893	0.6
287.05487	100.0
288.05811	3.6
299.05606	0.7
329.06451	0.9
355.30801	0.5
379.07971	0.5
397.08810	0.7
453.44736	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1125
Annotation	Kaempferol-3-Rhamnoside
Peak:m/z	Relative Intensity
53.03939	0.3
55.01867	0.3
55.05505	0.4
56.96534	0.2
57.03440	3.3
61.02893	0.3
67.08118	0.2
67.11107	0.2
68.61590	0.2
68.99784	0.5
69.03419	1.4
69.07030	0.3
71.01328	0.2
71.04990	24.5
71.61586	0.3
72.05311	0.2
73.02892	0.5
75.04464	0.8
79.05487	0.5
79.75346	0.2
81.03414	0.4
81.07027	0.5
83.04973	0.5
85.02901	25.4
86.03268	0.2
86.06077	0.2
86.62633	0.2
87.04454	0.7
93.07058	0.3
95.08602	0.5
97.02857	0.4
98.97584	0.3
105.03429	0.3
107.04938	0.5
107.08577	0.4
109.02856	0.5
109.10146	0.6
111.00778	0.6
111.04415	0.5
119.08553	0.3
121.02861	2.5
127.03886	0.7
129.05470	5.9
133.02805	0.4
135.04425	0.3
137.02319	1.0
145.06468	0.2
147.04370	0.7
147.06511	1.3
148.18944	0.3
153.01816	3.7
165.01828	1.5
171.04404	0.3
181.04979	0.3
183.02831	1.2
184.33669	0.2
185.05923	0.4
203.03818	0.2
205.00105	0.2
213.05527	1.1
231.06517	0.6
237.02896	0.5
241.04919	0.6
243.06540	0.2
258.05215	1.3
259.05954	0.5
269.04471	0.3
271.05997	3.0
283.06039	0.4
287.05484	100.0
288.05841	2.6
299.05432	1.0
329.06461	1.6
353.06549	0.6
379.08011	0.6
397.09021	1.2
415.10330	0.4
415.28574	0.2
433.10892	0.5
433.29703	0.6
441.45282	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1129
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.3
55.01857	0.3
57.03184	0.4
57.03436	4.9
68.99796	0.5
69.03432	0.4
70.31322	1.2
71.04991	15.5
72.48504	0.3
73.02913	1.3
75.04479	10.1
76.87507	0.2
83.04954	0.4
85.02905	16.1
87.04459	0.7
89.03913	0.3
95.04946	0.3
99.04408	0.3
104.01773	0.3
105.03384	0.4
107.04974	0.3
109.02892	0.6
111.00807	0.5
111.04404	0.4
117.03385	0.8
121.02871	2.4
121.10144	0.3
127.03893	0.4
129.05466	3.9
129.15115	0.3
137.02299	0.6
137.05988	0.5
145.02827	2.1
147.04460	0.4
147.06544	0.5
149.05957	0.4
153.01837	3.4
161.05928	0.4
165.01860	1.8
171.04489	0.3
177.05467	5.8
181.04950	0.4
183.02899	0.5
185.05968	0.4
205.81277	0.3
213.05402	1.1
226.05956	0.3
231.06429	0.3
241.05067	0.7
258.05215	1.0
287.05493	100.0
288.05765	2.1
299.05557	0.6
329.06479	0.7
353.06500	0.7
397.08994	0.6
433.10944	0.6
433.33533	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1131
Annotation	Kaempferol-3-Rhamnoside
Peak:m/z	Relative Intensity
55.05498	0.4
57.03434	7.8
67.05503	0.3
68.99792	0.4
69.03412	0.3
70.06577	0.2
70.66773	0.4
70.67132	0.5
71.04990	0.5
73.02914	3.3
75.04475	28.8
76.04801	0.2
78.45420	0.2
79.05502	0.3
80.60329	0.2
81.03412	0.2
81.07040	0.5
83.04958	0.2
83.08636	0.3
85.02898	2.2
91.05506	0.3
93.07058	0.3
95.04969	0.3
95.08593	0.3
97.02912	0.2
101.49609	0.2
104.59063	0.2
105.03371	0.4
105.07019	0.3
107.04966	0.8
107.08534	0.3
109.02901	0.5
111.00803	0.8
111.04443	0.5
117.60699	0.2
119.08569	0.2
121.02859	2.5
121.10160	0.2
123.04388	0.2
124.03939	0.2
127.03918	0.4
129.05463	0.2
133.02846	0.7
133.56906	0.2
137.02338	0.8
147.04398	0.8
153.01802	3.4
157.06508	0.4
161.06017	0.4
161.71873	0.2
165.01805	1.8
167.07043	0.4
171.04430	0.3
181.04968	1.8
183.02863	0.9
185.05975	0.3
193.08607	0.3
213.05409	1.5
217.04948	0.2
217.19447	0.2
221.08014	0.5
229.05191	0.2
231.06482	0.8
235.20386	0.3
241.04924	1.0
243.06485	0.2
251.07449	0.3
258.05209	1.0
259.06052	0.4
268.68811	0.2
269.04520	0.2
287.05478	100.0
288.05804	3.1
403.13797	1.3
432.76419	1.3
433.20367	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1129
Annotation	Isovitexin
Peak:m/z	Relative Intensity
55.01904	0.8
57.03467	0.7
57.23627	0.6
69.03448	1.5
70.11292	2.4
71.05016	0.8
79.01865	0.7
81.03443	1.1
85.02897	3.5
86.36311	0.5
87.76341	0.5
90.47787	0.6
91.05519	1.0
93.07111	0.8
95.05019	0.9
97.02938	1.0
98.40765	0.5
99.04505	0.6
100.77755	0.6
103.03967	0.7
107.05027	1.6
108.58641	0.6
109.02940	1.9
111.04561	0.6
115.05448	0.6
119.04923	3.8
121.02866	12.6
121.03688	0.8
127.03953	0.7
131.04958	0.8
135.04541	0.5
141.01877	1.9
145.02870	2.9
147.04405	1.0
149.02357	1.4
153.01895	0.7
163.03920	2.8
165.01814	9.6
165.03064	0.7
167.03415	2.7
177.01903	1.6
177.05487	0.8
179.03455	0.7
181.04993	1.7
183.02882	6.3
187.03934	1.8
191.03481	1.5
195.02911	2.1
203.03539	0.7
205.05013	2.0
207.02864	0.6
213.05487	1.2
217.04907	0.7
229.04973	0.9
233.04358	0.6
243.02867	1.0
251.73445	0.6
253.08682	1.2
255.06567	1.9
256.07349	2.5
259.05902	0.7
261.03973	2.2
267.06497	7.7
270.05240	2.6
271.06036	6.2
271.09338	1.3
279.06543	1.1
281.08054	7.1
283.06006	100.0
284.06723	16.9
285.07568	1.9
287.05554	3.4
295.06088	13.3
295.09427	1.6
296.06351	1.1
297.07520	6.4
305.08136	3.1
307.06006	2.2
308.06799	2.7
309.04068	1.5
309.07523	19.5
310.08069	0.8
311.05658	0.9
313.07043	80.2
314.07333	2.4
321.07684	2.7
323.05688	0.9
323.09116	17.6
325.07031	1.5
333.07443	3.4
335.05508	0.8
337.07040	37.0
338.07312	1.2
343.08154	1.1
349.07040	11.2
351.08609	3.6
361.07013	7.5
367.08136	23.4
379.08124	19.2
397.09186	23.4
398.09415	0.7
415.10202	21.2
416.10495	1.1
433.11102	24.1
434.10977	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1129
Annotation	Kaempferol-3-Rhamnoside
Peak:m/z	Relative Intensity
55.01870	0.3
55.05489	0.4
57.03438	3.5
57.85744	0.3
68.99767	0.4
69.03418	0.5
71.04992	24.7
71.61665	0.5
73.02915	0.6
75.04475	0.7
83.04972	0.7
84.08151	0.4
85.02905	24.1
85.05635	0.3
86.09687	0.4
87.04462	0.3
102.82977	0.3
105.03390	0.5
109.70862	0.4
111.00809	0.5
111.04439	0.6
119.08530	0.3
119.90543	0.3
121.02856	2.7
129.05481	6.7
129.28662	0.3
131.05020	0.4
133.02824	0.3
137.02327	0.6
147.04436	0.5
147.06497	1.1
150.57602	0.3
151.11212	0.4
153.01823	3.5
164.78403	0.3
165.01849	1.7
175.04015	0.4
179.88846	0.3
183.02879	0.8
185.06044	0.5
213.05501	1.0
231.06493	0.5
241.04971	0.8
258.05228	1.1
268.45325	0.3
271.05960	1.4
271.09390	0.3
287.05490	100.0
288.05872	1.6
299.05432	0.9
329.06586	1.0
337.06613	0.4
397.09222	0.9
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	Genistein 8-C-glucoside
Peak:m/z	Relative Intensity
53.04022	0.9
55.01933	0.8
57.03485	1.4
57.74876	0.7
61.02974	1.0
63.90890	0.8
65.04016	1.0
66.88069	0.7
67.05592	0.8
68.99869	1.3
69.03525	2.0
69.59930	0.7
71.05051	1.6
72.08230	1.6
72.95335	0.8
79.01928	1.4
81.03508	1.9
81.07133	1.5
85.03014	5.0
86.09808	0.9
91.05580	2.4
93.07132	1.6
95.05054	1.7
97.02949	1.8
98.97716	0.7
105.07111	1.8
107.05082	4.8
107.08678	1.8
109.02947	1.5
109.06570	0.9
109.10238	1.0
111.04541	0.9
119.04947	4.9
119.08701	0.8
121.02043	1.1
121.02866	26.0
121.06490	9.9
121.10210	1.4
122.06853	5.8
123.04473	1.5
127.04002	1.8
131.04987	1.8
131.08636	1.5
133.06615	1.3
133.10257	2.1
135.04509	1.4
137.06020	1.7
139.04002	0.8
141.01920	0.9
145.02972	2.2
147.04454	0.9
149.02452	1.1
149.06096	1.2
149.07860	1.1
149.09612	25.6
150.08832	1.0
150.09947	24.9
151.03976	1.1
153.01892	2.0
159.11766	2.1
163.03896	7.2
165.01817	8.9
165.05470	1.3
167.03549	3.1
177.01942	2.7
181.05035	0.9
183.02916	5.4
187.03987	1.2
191.03499	2.5
193.05022	1.0
195.03020	2.4
197.09758	0.7
205.05135	2.6
207.08116	0.8
209.04515	0.7
210.06689	0.8
211.07611	1.0
213.05522	2.8
217.05084	2.5
219.03011	2.6
227.07115	1.6
233.04433	0.9
235.17081	1.1
237.00638	0.8
243.03011	1.1
243.06458	1.5
253.08736	2.4
253.18056	1.1
255.06635	4.1
256.07272	5.6
259.06094	1.5
261.03979	2.8
267.06531	4.9
267.09064	0.7
270.05060	1.9
271.06070	6.6
271.09714	9.9
279.06592	1.2
281.08130	4.9
283.05994	100.0
284.06726	28.4
285.07632	1.7
295.06039	15.7
295.09415	1.7
296.06186	0.9
296.43500	0.8
297.07678	12.3
305.08191	1.2
307.05908	2.2
308.06726	3.6
309.04114	1.2
309.07529	14.8
311.05478	1.9
313.07040	95.0
314.07379	2.4
321.07483	2.5
323.05664	1.5
323.09073	22.7
325.06921	3.9
327.08682	0.8
333.07489	2.4
337.07040	30.3
337.11130	1.6
343.08087	3.1
349.07034	8.2
351.08447	3.8
355.08102	2.0
361.06992	6.5
367.03711	1.2
367.08151	21.2
379.08081	17.7
380.08261	0.8
397.09177	27.3
399.94135	0.7
415.10199	35.5
416.10089	1.1
433.10944	55.8
434.11237	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	432.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15376	0.2
51.59875	0.2
53.03944	0.5
57.03434	5.0
61.02927	1.8
69.03425	3.1
71.58980	0.4
72.08150	0.3
73.02913	12.4
77.03899	0.3
81.03412	0.5
85.02895	5.3
86.09662	0.2
87.04449	0.5
88.03982	0.3
91.05470	2.6
93.07043	5.0
95.04954	1.0
97.02882	3.4
99.04433	0.3
103.05463	2.5
109.02869	0.3
115.03933	3.0
121.06496	100.0
122.06832	1.7
127.03905	1.0
130.79733	0.3
133.04965	0.6
138.05539	1.8
138.09132	16.3
145.04973	0.8
163.06091	0.3
163.07481	0.3
180.10150	0.6
234.11348	0.4
252.12328	0.5
264.12384	0.4
270.13412	1.0
282.13327	1.1
300.14404	29.5
301.14764	0.8
396.16495	0.6
414.17545	1.6
432.18655	22.8
433.18964	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
55.39191	0.3
57.03189	0.4
57.03438	4.9
61.02913	2.1
65.11361	0.3
69.03415	2.8
69.94381	2.0
69.94768	0.7
71.01338	0.3
73.02917	11.3
81.03441	0.5
85.02908	5.3
87.04453	0.4
91.05468	2.6
93.07047	5.1
95.04964	0.8
97.02907	2.9
98.21414	0.5
103.05437	2.9
104.33932	0.3
105.04539	0.3
109.02919	0.5
115.03914	2.5
121.06500	100.0
122.06831	1.5
127.03887	0.7
133.04948	0.8
138.09132	16.0
138.10208	0.8
145.04958	0.6
158.16385	0.4
178.04877	0.4
180.10086	0.4
221.79291	0.3
234.11261	1.0
252.12193	0.4
264.12531	0.6
270.13330	0.9
282.13379	1.2
297.08588	0.3
300.14410	31.6
301.14746	1.3
321.10312	0.4
329.09024	0.5
337.08044	0.5
396.16498	1.0
414.17599	2.3
432.18661	21.4
433.18839	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.2592
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76068	2.7
57.03419	4.6
60.64829	2.9
64.70587	3.1
65.52856	2.7
69.03438	7.0
69.07028	3.4
70.06583	3.4
71.04984	6.2
71.42108	5.3
71.42435	2.9
72.08112	3.4
79.05543	3.0
81.07033	5.0
83.04994	4.2
85.02905	13.9
86.09714	3.8
88.78924	2.9
91.05461	7.5
92.50256	3.1
93.07037	10.5
95.04961	4.9
95.08617	18.6
97.02873	5.1
97.06534	4.0
99.04488	2.8
102.33601	3.0
105.07066	6.8
107.04957	16.5
107.08574	9.8
109.06508	4.3
109.07288	3.0
109.10142	5.0
109.84067	2.7
119.08611	3.6
120.69044	3.2
121.02856	10.0
121.06517	6.6
121.10136	13.5
131.04875	3.4
131.08592	14.6
133.06439	5.2
133.10133	100.0
137.05965	4.9
138.06279	3.5
145.10118	7.3
147.11681	4.9
149.05968	4.8
149.09586	10.1
149.13306	3.2
151.11217	15.3
158.10872	4.9
163.14839	4.4
173.13261	32.1
181.04984	4.4
191.14291	63.3
207.07892	3.9
209.15379	37.0
234.18513	4.4
235.09654	5.8
253.08539	10.2
271.09708	24.3
368.34506	3.2
432.25867	3.9
433.14902	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	432.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82736	2.9
55.01894	3.5
59.88481	2.8
60.04526	43.1
60.08180	3.5
61.02909	2.7
69.03442	7.0
70.06583	12.4
71.09467	3.5
71.09824	5.5
73.02919	3.5
79.05485	5.9
81.03431	3.3
85.02904	13.8
91.05454	7.4
92.94477	3.3
93.07043	4.4
95.04967	4.3
97.02881	8.7
103.05476	5.0
105.07026	5.3
107.04932	9.2
110.15029	3.0
118.06519	3.7
119.04906	8.5
120.08102	6.2
121.06494	18.8
123.04408	5.5
127.03899	3.2
131.04924	5.2
133.06508	6.2
137.05956	10.7
138.05455	3.2
145.06505	5.7
146.06033	7.1
147.04431	9.2
147.06833	5.7
147.07947	3.9
148.05098	3.7
149.05974	23.9
155.07034	4.9
161.05984	14.0
163.03987	3.6
164.07104	3.5
165.05466	4.4
167.07047	100.0
173.05978	4.5
175.07541	6.6
176.07190	4.2
177.05487	41.4
177.07817	3.8
178.70274	3.4
179.07115	5.3
181.08624	7.5
183.06586	15.3
188.04755	3.7
190.08621	7.5
192.07794	5.6
193.08670	17.8
195.08911	7.8
197.08092	5.0
205.07253	7.3
206.10091	3.1
208.09673	4.8
209.08118	33.8
209.15260	4.3
210.11293	39.1
211.09673	6.6
220.09656	19.3
222.11230	12.6
227.09145	69.5
233.74477	3.2
234.11270	10.0
235.09624	5.0
238.10745	22.3
252.12309	39.3
253.10710	22.1
270.13385	20.9
280.93192	3.0
280.96896	3.7
372.16238	4.3
389.46423	2.8
392.85715	3.6
432.18527	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	432.1686
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.5
57.03416	0.3
69.03429	0.5
69.80602	0.3
71.04985	0.3
81.03404	0.5
85.02907	2.1
86.09712	0.3
91.05460	2.0
93.07059	0.6
97.02885	0.5
98.21548	0.4
103.05517	0.3
105.01891	0.3
105.07033	1.2
107.04927	1.2
109.06522	1.3
115.11349	0.3
116.06228	0.4
119.04961	0.4
121.02882	1.5
121.06504	30.9
122.06825	0.4
127.03894	0.5
131.08554	1.2
145.05011	0.5
147.04420	0.6
149.09619	100.0
150.09975	1.5
159.08037	0.4
163.03920	0.5
165.01891	0.6
177.01826	0.3
183.02853	0.3
203.09175	0.6
229.53133	0.3
243.43164	0.2
271.06104	0.4
271.09558	0.7
283.06018	6.0
284.06729	1.7
295.06094	1.0
297.07526	0.7
309.04251	0.3
309.07632	0.8
311.14896	0.9
313.07013	5.4
323.05804	0.3
323.09225	1.1
333.07684	0.4
337.07031	2.0
349.07095	0.5
361.06989	0.6
367.08215	1.6
379.08102	1.0
397.09207	1.7
415.10233	2.2
433.10995	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	432.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82736	2.9
55.01894	3.5
59.88481	2.8
60.04526	43.1
60.08180	3.5
61.02909	2.7
69.03442	7.0
70.06583	12.4
71.09467	3.5
71.09824	5.5
73.02919	3.5
79.05485	5.9
81.03431	3.3
85.02904	13.8
91.05454	7.4
92.94477	3.3
93.07043	4.4
95.04967	4.3
97.02881	8.7
103.05476	5.0
105.07026	5.3
107.04932	9.2
110.15029	3.0
118.06519	3.7
119.04906	8.5
120.08102	6.2
121.06494	18.8
123.04408	5.5
127.03899	3.2
131.04924	5.2
133.06508	6.2
137.05956	10.7
138.05455	3.2
145.06505	5.7
146.06033	7.1
147.04431	9.2
147.06833	5.7
147.07947	3.9
148.05098	3.7
149.05974	23.9
155.07034	4.9
161.05984	14.0
163.03987	3.6
164.07104	3.5
165.05466	4.4
167.07047	100.0
173.05978	4.5
175.07541	6.6
176.07190	4.2
177.05487	41.4
177.07817	3.8
178.70274	3.4
179.07115	5.3
181.08624	7.5
183.06586	15.3
188.04755	3.7
190.08621	7.5
192.07794	5.6
193.08670	17.8
195.08911	7.8
197.08092	5.0
205.07253	7.3
206.10091	3.1
208.09673	4.8
209.08118	33.8
209.15260	4.3
210.11293	39.1
211.09673	6.6
220.09656	19.3
222.11230	12.6
227.09145	69.5
233.74477	3.2
234.11270	10.0
235.09624	5.0
238.10745	22.3
252.12309	39.3
253.10710	22.1
270.13385	20.9
280.93192	3.0
280.96896	3.7
372.16238	4.3
389.46423	2.8
392.85715	3.6
432.18527	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	432.15
Annotation	Unknow
Peak:m/z	Relative Intensity
56.44493	0.4
57.03436	6.5
58.24664	0.4
61.02909	1.9
65.03934	2.2
67.90399	0.4
69.03420	4.5
70.06241	0.7
70.06591	8.7
71.01330	0.9
71.05011	0.5
71.41828	0.5
71.42167	0.8
73.02915	12.4
74.72466	0.4
81.95900	0.4
85.02902	10.7
87.04453	0.5
91.03969	0.5
92.04967	0.5
97.02895	8.0
98.54560	0.4
99.04447	0.6
103.05504	0.8
107.04921	0.7
109.02875	1.0
111.04461	2.4
115.03919	6.3
120.04474	6.8
120.60083	0.5
120.88441	0.4
121.03989	1.4
121.05238	6.8
121.06552	1.2
122.05997	0.9
124.03958	0.8
127.03899	2.0
127.08704	0.8
130.06554	1.3
131.04900	2.7
132.04399	0.4
133.04973	1.6
138.05496	100.0
139.05870	2.6
145.04955	2.7
149.05997	2.8
155.08102	0.4
157.07593	1.5
158.05983	0.8
159.09126	0.5
168.45059	0.4
174.07764	0.5
175.08720	1.6
239.19026	0.6
241.06984	0.5
260.10281	3.5
300.10794	3.9
345.58252	0.5
414.17474	0.6
432.18756	1.6
433.14731	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.15
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	0.3
56.96541	0.3
57.03437	3.3
58.06581	0.2
59.84261	0.2
61.02928	1.6
65.03932	1.8
69.03431	2.8
71.01333	0.4
71.59186	0.3
71.59612	0.3
73.02914	6.2
80.36837	0.2
81.03414	0.7
81.07030	0.4
85.02418	0.4
85.02901	4.9
85.07725	0.3
86.09698	0.3
87.04471	0.4
88.58475	0.3
92.05023	0.3
92.11748	0.3
93.03404	0.3
94.04211	0.3
95.04971	0.4
97.02882	3.8
98.97622	0.3
98.98413	0.3
99.04438	0.3
103.03890	0.2
107.04957	1.8
109.02858	0.6
111.04449	2.2
115.03925	2.8
116.98598	0.3
119.08453	0.3
120.04457	6.9
121.03954	0.9
121.05244	7.8
121.06533	1.0
123.04411	0.4
124.03951	0.5
127.03880	1.3
130.60555	0.2
133.04968	0.4
133.10127	0.4
138.05496	100.0
139.05814	1.4
139.35875	0.2
145.04977	1.3
161.02956	0.4
162.03052	0.4
163.03906	0.5
164.07060	1.5
203.03894	0.3
223.06049	0.2
237.02853	0.7
270.09769	1.1
271.09753	0.3
286.09274	0.3
300.10776	4.9
311.44455	0.2
432.15997	0.6
433.15778	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.3518
Annotation	Stylisterol A
Peak:m/z	Relative Intensity
51.94159	2.8
52.99854	2.4
55.05502	8.0
56.29763	2.5
56.78964	2.8
66.24306	2.5
67.05489	12.6
69.07064	16.1
69.15977	2.5
71.10639	6.8
79.05498	30.0
81.07064	17.2
83.08604	4.9
91.05472	13.7
93.07047	54.7
95.08604	12.9
97.10173	5.8
105.07043	13.4
107.08598	35.0
109.10142	8.4
117.07011	11.5
119.08560	9.1
121.10155	9.1
123.11656	4.2
125.09622	3.2
129.07048	3.3
131.08548	12.9
133.10156	16.6
135.11693	100.0
136.12024	2.7
138.19823	2.9
143.08614	3.0
145.10141	5.7
149.13197	5.0
159.11682	9.2
161.13281	3.3
173.13248	4.5
215.34706	2.9
291.23270	9.5
301.21600	6.6
357.27814	2.9
413.34152	38.3
414.34512	5.7
431.18030	22.2
431.34991	22.3
432.19128	5.0
432.35287	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	431.2194
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34688	1.7
55.01868	2.5
55.05512	8.7
56.96553	3.9
57.03431	12.3
67.05501	28.4
69.07061	10.6
70.99793	3.1
71.04989	3.8
71.08656	1.9
74.96278	1.6
75.04473	2.6
79.05489	27.7
81.03421	2.2
81.07055	36.6
83.05022	2.4
83.08611	5.9
85.06564	3.4
91.05477	33.8
93.07045	45.2
95.04964	4.7
95.08611	24.6
97.06547	3.0
97.10168	2.0
98.98467	80.1
99.08062	1.9
105.07034	43.5
107.04961	5.0
107.08591	28.4
109.06485	2.4
109.10132	10.5
116.98675	1.9
116.99489	3.2
117.07011	10.0
119.08575	42.8
121.10130	19.9
125.09600	2.2
129.05519	2.6
129.07016	6.0
131.08562	21.6
133.10135	27.8
135.11667	21.8
137.13319	1.8
143.08580	7.9
145.10118	14.1
147.04414	7.6
147.08075	1.7
147.11676	33.4
149.09714	1.9
149.13245	8.6
155.01059	5.7
157.10112	5.5
159.11710	18.1
161.13254	34.7
163.03899	3.9
163.11102	2.1
163.14815	3.6
171.11635	10.4
173.02115	21.0
173.13254	9.7
175.11269	2.3
175.14816	18.7
185.13274	6.9
187.14839	2.9
199.14865	4.7
211.02789	2.2
213.16341	3.0
215.18002	5.3
217.19566	4.4
218.99609	2.5
231.21115	7.6
237.00697	23.6
237.03023	2.4
241.19502	39.2
243.21121	2.2
255.01749	14.6
259.20566	74.8
260.02145	2.2
260.20938	3.7
273.02786	2.5
277.21664	4.8
278.03381	1.9
279.01788	2.0
285.13440	2.1
315.23242	4.8
333.24225	100.0
371.11331	2.9
389.12476	5.1
389.16733	2.7
413.20908	5.7
431.13882	10.3
431.21863	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	431.219
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44027	1.8
55.01854	2.2
55.05506	8.7
56.96565	13.3
57.03437	10.3
57.07074	3.2
63.23017	1.6
67.05503	24.8
69.07069	11.2
70.77802	4.0
71.04984	4.1
73.02896	1.4
75.04462	2.1
79.05489	28.3
81.03410	3.4
81.07053	39.0
82.07400	2.0
83.04978	2.2
83.08609	4.8
85.06535	3.5
85.10692	1.7
91.05474	36.5
92.05909	1.7
93.07040	35.1
95.04923	3.6
95.08606	21.9
97.06512	3.0
98.98463	76.6
98.99111	3.8
102.36785	1.7
105.07022	34.3
107.08575	23.6
109.06497	3.8
109.10162	12.2
111.08094	2.5
116.98606	6.6
116.99426	2.7
117.06998	8.8
119.04920	2.1
119.08572	40.5
121.06497	2.5
121.10139	16.9
123.11708	3.6
125.09614	13.4
128.50102	1.7
129.05449	4.0
129.06995	4.0
131.08549	19.0
133.10138	31.1
134.99648	5.9
135.11682	16.3
137.09622	2.3
139.11171	5.3
143.08545	7.5
145.10115	14.6
147.04398	8.8
147.11678	28.6
149.13255	8.8
155.01022	3.0
157.10103	6.8
159.11685	15.7
161.13257	41.7
163.03880	1.8
163.14857	4.8
167.10638	4.2
171.03262	1.8
171.11642	11.6
173.02122	16.5
173.13243	8.7
175.14832	20.5
185.13257	7.5
187.14830	5.2
189.16347	2.2
190.96313	1.7
193.01692	2.1
199.14841	5.0
211.02774	5.2
213.04298	3.6
213.16397	3.4
215.17987	2.7
217.19559	6.8
229.03810	2.1
231.21082	6.4
237.00719	3.6
239.02251	14.7
241.19504	46.7
242.19859	2.3
243.21083	2.4
255.01682	15.6
257.03268	17.8
259.20569	76.4
260.20862	5.9
262.03860	2.5
273.02817	19.8
277.21817	2.4
278.03281	1.9
296.04492	2.3
297.03061	2.3
315.03888	8.6
315.23172	3.5
320.04391	2.1
333.24225	100.0
334.24487	6.4
371.11478	8.3
389.12561	13.3
412.14111	2.6
413.20563	3.3
431.13574	14.7
431.21936	7.3
431.27762	1.8
432.14401	2.6
449.14847	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	431.1377
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96564	34.4
67.05484	5.2
68.79574	1.1
69.03411	1.4
69.07073	3.4
71.59536	2.2
78.92885	1.3
79.05495	4.2
81.07058	8.4
83.04964	1.4
91.05479	16.5
93.07045	8.2
95.08592	5.4
98.97572	13.4
105.07024	25.7
107.08580	5.8
109.06562	2.0
109.10171	6.1
116.98618	19.6
119.04937	8.0
119.08591	4.1
121.10112	2.9
123.11713	3.3
131.08496	1.6
133.10104	9.9
134.99648	24.2
137.06006	3.1
140.00153	2.0
147.03265	1.6
147.04401	31.0
148.04752	1.9
151.07484	1.8
151.11150	2.0
153.00682	5.3
156.48601	1.4
158.01239	2.7
165.09084	2.9
187.02800	2.7
195.03287	5.0
199.06471	1.9
203.00179	3.3
209.01268	3.1
211.02785	6.7
212.49408	1.7
213.04358	17.4
217.07487	1.8
221.01338	4.3
225.08025	2.8
231.05461	2.8
239.02260	56.0
243.09085	3.6
249.07935	1.5
253.03720	2.6
257.03336	64.5
261.10336	2.1
262.03802	9.6
263.02200	7.6
267.09125	5.8
280.04865	7.6
285.10178	6.8
299.04248	2.7
353.10529	7.6
355.08569	4.7
366.28833	1.4
371.11658	26.6
389.12622	14.4
394.13379	5.2
395.11633	11.0
412.14218	4.7
413.12686	32.8
431.13779	100.0
432.14206	5.5
436.14160	3.3
449.14764	6.1
454.15146	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	431.1378
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	1.2
56.96566	36.4
57.07057	2.0
59.04990	0.7
59.66006	0.4
62.38431	0.5
65.03918	0.8
67.05506	5.5
69.07051	2.3
71.58970	0.8
71.59343	0.8
71.95251	0.8
74.97618	1.2
79.05494	3.6
81.07056	31.1
85.02884	0.7
85.06536	0.6
91.05466	4.3
93.07049	2.9
95.04964	1.2
95.08603	5.0
96.67356	0.5
97.06508	0.7
98.97586	9.5
98.98226	0.9
98.98508	0.7
105.07012	2.3
107.08588	2.6
109.06499	1.5
109.10173	5.1
111.08085	0.9
116.98620	13.2
116.99445	0.9
119.04949	7.1
119.08576	0.6
121.10160	1.1
123.08121	0.8
123.11707	33.0
127.00717	0.6
133.10139	2.3
134.99657	14.1
135.11685	0.7
137.05995	1.1
140.00198	1.0
145.01733	0.8
147.04414	22.2
148.04854	0.6
151.11159	1.4
153.00731	3.4
158.01259	2.1
159.01247	0.6
163.02716	0.8
169.01729	1.4
171.03282	0.6
173.04858	0.9
174.01924	0.5
175.02730	0.8
177.02179	1.0
178.87668	0.6
181.01718	1.0
183.03333	0.5
187.02798	2.1
191.00148	2.3
193.01802	0.7
195.03299	9.3
199.02815	0.7
203.00313	1.7
209.01237	5.1
211.02766	2.3
213.04349	26.3
214.01472	0.7
214.04533	0.6
218.04912	1.1
221.01247	5.6
225.07921	3.3
231.05362	3.9
236.05959	2.2
239.02271	46.5
240.02583	0.6
243.09077	14.2
257.03329	34.7
261.10074	7.8
262.03946	5.6
263.02264	20.5
263.05060	0.6
263.09729	0.5
266.10733	1.7
267.09149	1.9
280.05008	3.1
281.03299	10.3
285.05362	0.7
285.10120	3.8
299.04324	0.9
304.04883	3.6
353.10632	4.8
371.11542	6.5
389.12759	4.4
394.13504	1.1
407.13715	0.9
409.48962	0.5
412.14249	0.8
413.12616	3.2
431.13791	100.0
432.14178	2.2
449.14835	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	430.2434
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40237	1.5
54.84602	1.4
55.05493	1.4
57.03452	1.9
57.07054	3.5
58.06598	2.2
59.04993	1.4
67.05505	9.7
69.03429	3.7
69.07080	2.9
70.06583	2.1
71.04988	2.5
71.58528	1.8
71.58916	1.9
79.05498	2.2
81.07055	3.3
83.04992	2.7
84.04526	1.7
85.02902	8.4
85.06521	6.3
86.06080	1.9
86.09697	8.3
86.64295	1.3
87.51736	1.4
91.05515	1.8
93.07035	6.6
95.04974	3.2
95.08612	42.0
97.02885	3.2
98.97575	2.6
105.07025	5.4
107.04910	1.7
107.08601	7.7
108.08112	29.6
109.06546	3.5
109.10190	3.4
110.06057	4.1
112.07629	1.7
112.77643	1.5
113.06012	8.2
114.05499	1.6
119.08589	11.6
121.06474	2.0
121.10126	10.1
121.83189	1.3
123.04416	1.7
123.08076	19.9
123.11703	2.3
127.03967	1.5
131.08565	4.5
133.10144	5.3
134.99710	1.6
135.08073	3.7
135.11668	9.0
137.09660	2.2
141.06984	1.7
145.04965	1.6
145.10143	3.1
147.08011	2.9
147.11653	9.5
149.09608	18.0
149.11951	1.4
150.09143	1.4
150.12746	3.0
151.07568	2.0
151.14827	2.7
156.09448	1.8
159.11679	2.2
161.08372	2.9
161.09639	2.1
161.13266	8.9
163.11229	6.4
165.12796	4.7
167.10641	2.4
171.11685	5.7
176.10693	13.4
179.14240	1.5
183.33963	1.4
189.12746	14.7
190.15948	2.2
206.10216	2.2
207.13808	100.0
208.14162	2.5
208.16911	2.1
219.01706	2.0
225.14905	5.0
232.16980	9.1
233.15352	3.2
238.82614	1.6
250.18048	38.0
251.10747	2.2
251.16245	2.4
268.19266	4.6
356.17261	1.9
412.23499	3.8
430.24692	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	431.0974
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	0.2
55.05500	0.2
61.56019	0.2
67.05479	0.5
68.99805	0.5
69.03424	1.5
69.07060	0.3
70.03755	0.4
71.04979	0.4
71.59640	0.2
73.02914	11.2
79.05471	0.6
79.76205	0.2
81.03399	1.0
81.07069	0.8
85.02915	1.7
86.03239	0.2
87.00822	0.4
87.04470	1.2
91.05467	0.3
93.07027	0.6
95.04981	0.3
95.08604	1.0
97.02879	1.0
97.06541	0.3
98.03240	0.2
99.04436	0.6
103.05427	0.3
105.03363	0.4
105.07026	0.4
105.72948	0.2
107.04935	0.7
107.08611	0.3
109.02859	0.7
109.10119	0.6
111.00793	0.7
119.04955	0.2
119.08537	0.3
121.02857	2.5
121.06483	0.2
121.10092	0.3
123.11701	0.4
127.03898	1.3
128.04239	0.4
131.04889	0.4
133.02843	0.5
135.04443	0.2
135.08040	0.3
135.11678	0.5
137.02336	0.7
137.05998	0.6
145.04999	0.3
145.06383	0.2
145.10103	0.3
147.04399	1.3
149.05931	0.2
149.09622	0.3
151.03845	0.2
151.07533	1.6
153.01817	3.6
157.06493	0.5
163.03960	0.2
163.07553	0.3
165.01851	1.8
165.09134	0.3
167.07045	0.2
171.04341	0.2
175.07552	0.2
177.09177	0.3
183.02861	0.9
185.06021	0.5
187.11281	0.2
189.05266	0.2
191.10748	0.2
213.05489	1.2
231.04666	0.4
231.06796	0.3
232.05325	0.9
233.11865	0.2
233.19093	0.2
234.11992	0.6
241.04887	0.8
252.13231	0.2
257.04538	0.2
258.05276	1.1
259.05972	0.4
285.03864	0.2
286.04645	0.6
287.05484	100.0
288.05856	4.5
431.09497	0.4
431.14923	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.5
55.01873	0.8
57.03421	1.7
61.20714	0.9
65.80099	0.6
67.05470	0.6
68.35949	0.8
69.03430	74.3
69.07073	1.1
71.04986	2.7
71.59232	1.1
73.02914	3.5
79.05473	1.2
81.02982	1.2
81.03419	17.9
81.07036	1.1
82.11600	0.6
83.04947	0.7
84.15108	0.8
85.02907	20.3
85.17656	0.7
87.00828	6.5
87.04457	2.6
91.05475	1.1
93.07033	1.1
95.04963	1.0
97.02899	11.8
97.06532	5.6
99.04452	6.8
100.23611	0.7
105.01850	1.8
105.07032	1.8
107.08582	1.3
109.02898	3.9
109.10209	0.7
112.32079	0.7
121.02827	1.3
127.03919	58.3
135.11646	1.0
137.05977	6.0
141.06909	0.8
144.06581	0.7
145.04988	3.6
147.04411	2.1
153.01787	1.0
161.05978	1.3
163.07626	0.8
165.05498	1.1
165.09085	1.1
167.06958	1.1
171.02945	1.5
173.09590	0.9
183.02853	1.0
191.07048	2.2
207.10077	1.1
231.05002	100.0
232.05234	2.2
233.09494	1.5
233.11722	16.9
235.68597	0.7
249.06137	0.8
250.18706	1.1
251.12822	4.6
287.05487	32.3
292.68250	0.7
359.15073	0.7
430.19025	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.3727
Annotation	alpha-Tocomonoenol
Peak:m/z	Relative Intensity
55.05491	2.4
57.06827	1.0
57.07077	13.9
62.07804	0.7
62.89963	0.7
67.05487	3.0
69.07069	3.7
71.08630	11.4
71.48569	1.2
79.05463	1.1
81.07046	5.1
83.08591	2.7
85.10189	4.2
91.05428	1.5
93.07015	1.7
95.08601	5.2
97.10152	2.4
105.07053	1.0
107.08587	4.1
109.10155	4.9
111.04456	0.8
111.11698	1.0
115.12489	0.6
119.08556	2.6
121.10123	2.2
123.08067	1.6
123.11691	1.1
126.01973	0.6
131.08536	1.7
135.08047	2.9
135.11670	1.7
137.06026	0.7
137.09622	7.0
139.07530	2.1
145.10088	1.5
149.09612	11.3
159.11664	2.1
161.09700	0.9
161.54857	0.7
163.11182	22.4
163.12538	1.4
165.09106	100.0
166.09427	2.7
167.79369	0.7
173.09665	1.5
173.13268	1.9
175.07472	0.7
175.11194	6.3
176.08282	1.0
177.09111	12.2
177.12724	2.1
179.10672	1.4
186.10437	1.0
187.11203	2.8
189.09221	0.8
189.12717	2.3
191.10667	8.8
201.12709	3.5
203.10701	1.4
203.14348	1.2
205.12206	11.6
215.14334	1.7
219.13782	4.8
233.15408	3.9
247.17082	1.4
261.18604	1.5
275.20135	1.7
285.22098	1.0
289.21637	2.0
303.23163	2.7
317.24838	2.1
345.27927	1.3
359.29474	1.1
373.31076	1.7
387.32645	0.8
401.34180	3.3
402.34451	1.1
411.36395	2.4
429.37259	77.9
430.37738	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	430.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21968	0.5
53.03950	3.0
55.01870	15.4
57.03437	4.8
61.02924	4.5
68.99786	3.0
69.03426	20.7
70.20310	1.5
70.20721	0.8
71.04984	4.7
73.02914	6.8
81.03413	11.3
83.01335	0.8
85.02902	100.0
86.03209	0.6
87.00828	14.9
91.03940	1.0
93.90619	0.4
97.02888	11.6
97.03511	0.7
99.04449	16.9
101.02361	1.3
102.85379	0.4
105.01856	11.3
108.04498	1.3
109.02878	16.8
115.03943	0.9
117.01862	2.8
124.05235	0.7
126.05527	0.8
127.03913	49.5
128.04250	1.0
129.01834	5.8
137.05965	0.7
142.03670	0.5
145.04953	36.4
146.05254	0.5
147.02878	4.6
159.02907	12.0
165.09123	0.8
171.02896	0.9
177.03899	0.5
189.03961	1.3
190.06210	0.6
207.10144	0.5
213.03954	2.9
222.40099	0.4
231.04993	17.1
231.10201	1.4
248.07634	3.8
249.06024	4.6
255.10143	0.9
266.08810	0.9
273.11343	1.4
287.05588	0.5
347.52533	0.4
386.57153	0.5
429.04599	0.5
430.16260	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1546
Annotation	Brevipolide B
Peak:m/z	Relative Intensity
55.05506	0.5
59.13217	0.2
63.37438	0.2
65.03932	1.0
67.05495	0.6
69.07056	0.2
70.15560	0.9
71.04984	0.3
72.29751	0.2
78.54956	0.2
79.05486	0.3
81.03413	0.8
81.07051	0.7
83.04974	2.5
85.02864	0.2
89.79484	0.2
91.05474	12.0
93.07013	0.3
95.08580	0.4
97.02905	0.4
101.06013	0.8
102.21046	0.2
105.07030	0.5
107.08559	0.3
116.90326	0.2
119.04936	28.2
120.05203	0.3
121.10089	0.3
123.08023	0.2
135.08116	0.2
137.05911	0.3
145.10080	0.2
147.04402	100.0
148.04764	1.3
151.07521	1.2
165.05466	2.3
167.07025	0.2
181.12254	0.2
191.10558	0.2
247.09656	0.7
265.10696	4.2
285.17007	0.2
411.14417	1.4
429.20978	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1544
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.4
54.09405	0.3
55.05500	0.8
55.29512	0.3
56.96560	0.5
60.77932	0.3
65.03935	1.4
67.05491	0.9
67.37918	0.3
69.03429	0.5
69.08611	0.3
69.95464	0.3
70.75606	0.8
71.04993	0.8
79.05466	0.6
81.03416	0.9
81.07055	1.6
83.04967	2.7
85.02901	1.0
85.06494	0.4
91.05476	11.3
93.07037	0.9
95.04939	0.5
95.08597	1.0
96.30946	0.3
97.02879	0.9
97.06535	0.5
97.10138	0.4
101.06002	0.8
105.07028	1.0
107.04956	0.6
107.08582	0.6
109.06538	0.4
109.10169	0.7
110.40121	0.3
111.04423	0.6
117.07006	0.3
119.04942	25.5
119.08590	0.5
119.41453	0.3
120.05238	0.3
121.06487	0.6
121.10128	0.8
123.04439	0.3
125.05932	0.3
127.03908	0.6
131.08604	0.6
133.06483	0.5
135.11702	0.3
137.05946	2.3
141.06927	0.4
145.10089	0.4
147.04408	100.0
148.04741	1.8
151.07556	0.9
161.05937	0.3
163.03865	0.7
163.07440	0.3
165.05498	2.1
165.09120	0.5
167.07022	2.9
174.06694	0.4
175.07571	0.8
177.09111	1.2
181.12248	1.8
187.07536	0.4
189.09103	0.6
191.10695	0.4
219.10178	0.5
247.09705	0.8
265.10776	3.3
411.14374	1.8
429.15021	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.1261
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09185	1.2
55.01863	3.9
56.96559	27.3
57.03435	42.6
59.05003	1.7
61.02922	19.8
65.03940	1.5
67.05476	1.6
69.03425	27.7
70.06581	4.3
71.01353	2.8
71.04996	19.6
72.08122	1.6
73.02914	100.0
74.03230	5.1
81.03407	12.1
81.07063	2.4
81.78322	1.3
83.04983	3.6
84.08118	2.3
84.96028	6.5
85.02898	59.0
86.03243	2.5
87.04457	6.2
89.03930	3.0
91.03932	1.9
91.05479	13.5
92.01218	1.7
93.07012	3.3
93.43174	1.5
95.04952	2.0
97.02882	47.1
98.03214	2.2
98.20779	3.4
98.97575	35.2
99.04429	4.7
101.00829	2.1
102.96903	1.8
103.05476	2.4
104.01274	1.4
105.07027	2.1
107.04967	7.9
107.08565	2.7
109.02868	8.8
110.01274	1.8
110.97584	6.1
111.04454	2.3
112.99131	11.5
113.84574	1.5
114.05537	2.0
115.02312	3.4
115.03925	13.8
116.98608	29.7
117.02018	2.2
117.03365	1.6
117.05472	1.4
119.01897	7.3
119.04948	10.8
120.01971	1.9
120.04401	2.1
121.01678	3.8
121.06503	14.2
123.04379	2.9
127.02325	2.7
127.03915	20.7
128.02278	8.5
128.98602	18.3
129.05492	4.8
130.08623	2.0
131.00166	35.8
131.01820	2.3
131.04909	3.3
132.00496	5.7
133.03473	2.9
133.06499	3.0
134.99620	16.2
135.04382	2.3
137.05965	14.9
138.02542	2.9
139.03943	2.9
140.02235	3.9
140.98616	1.6
142.02785	2.8
143.00157	6.7
143.01865	5.0
145.01677	4.0
145.03479	3.4
145.04955	7.8
146.02266	4.9
146.99643	23.5
147.03098	6.7
147.04286	2.4
148.02840	2.3
149.01210	47.6
149.05978	2.8
150.01508	5.9
151.07526	6.4
152.02287	1.9
152.98592	2.5
153.00627	2.4
154.01810	2.5
155.02852	2.4
157.01732	2.1
157.03468	3.1
158.03629	1.8
158.99638	9.6
159.05016	2.3
161.01219	14.3
161.02780	8.9
161.05867	2.0
162.03014	1.8
163.02698	8.4
163.03911	16.6
164.03075	2.8
164.04324	2.5
165.00710	4.9
167.02628	6.9
168.02632	1.6
169.03326	12.8
170.04002	1.8
170.99611	10.7
171.03174	1.6
171.05023	2.0
172.02812	3.7
173.01212	5.7
173.02930	10.3
173.04382	1.6
174.03098	2.7
175.02727	6.5
175.04263	2.8
176.03368	14.7
176.53462	3.3
177.00700	14.4
178.03819	29.1
178.53998	3.5
179.02338	2.5
179.04567	3.1
181.03711	2.1
182.03345	2.4
183.04993	4.7
185.01340	2.2
185.02782	2.7
187.02834	3.3
187.04501	3.4
187.54189	3.6
188.03215	2.8
189.00714	17.8
189.54645	4.4
191.02280	4.4
191.03908	3.3
192.04610	2.3
193.01765	5.3
193.03844	9.5
197.02985	2.1
199.02838	1.8
200.02628	1.5
201.00638	11.5
203.02284	2.4
203.04004	3.8
205.03793	4.0
206.04155	3.7
207.01749	4.1
207.05202	4.0
207.55322	1.5
211.02771	9.2
211.04817	6.2
212.07994	2.2
213.04286	1.6
215.03990	3.1
217.07312	1.6
219.01747	29.5
220.02109	2.1
221.05127	3.8
223.04820	3.4
226.04758	3.1
229.03888	3.2
231.01636	1.9
231.07179	2.6
234.04648	1.5
235.02794	4.5
235.05333	94.5
235.55597	24.2
236.06151	12.8
237.00420	2.9
237.02805	54.9
238.03201	4.0
239.02194	2.2
243.05013	1.9
244.05991	13.1
244.56181	3.2
245.04915	3.6
246.05244	2.5
247.04915	10.5
248.05244	10.3
249.08095	1.8
251.04364	3.0
251.06766	5.3
253.03804	2.8
253.06068	15.0
254.05762	6.6
255.03854	5.5
255.06654	1.6
255.56798	21.0
256.06931	5.0
256.57520	2.0
259.06415	3.9
260.04428	1.6
260.07260	1.7
261.02576	2.3
263.06052	5.1
263.56198	2.4
264.06833	12.3
264.57199	1.8
265.06140	3.5
266.06976	6.5
266.57498	1.6
267.03671	2.2
269.05420	6.6
272.06677	4.1
275.06024	5.6
275.57535	2.0
276.07718	1.9
279.04062	4.2
279.07370	2.1
287.06201	1.9
291.03751	2.0
293.05478	5.6
309.04758	2.5
313.07581	4.3
316.08057	2.5
317.08765	2.4
321.08102	1.9
322.07770	9.4
322.58350	3.9
323.08987	6.5
325.08655	4.1
325.58820	2.7
331.08661	15.6
331.58801	6.8
332.09393	36.8
332.59454	9.9
333.09802	2.5
337.05786	12.6
338.09207	3.0
338.58456	2.2
339.07938	2.2
347.09637	3.4
347.59256	1.7
349.59882	1.5
350.08353	11.6
355.06903	3.0
367.09189	3.1
368.09430	15.4
369.09476	3.4
373.07544	1.9
377.09296	1.9
386.10547	3.7
428.11722	4.3
429.11588	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	427.3933
Annotation	(13E,17E)-Polypoda-7,13,17,21-tetraen-3beta-ol
Peak:m/z	Relative Intensity
50.45107	0.9
53.03928	2.8
54.29806	1.0
55.05506	19.3
57.07069	10.1
59.04969	1.4
60.60571	1.0
64.36375	0.9
65.03924	1.1
67.05502	29.7
69.03418	2.4
69.07062	50.9
71.04984	2.0
71.08619	4.8
71.59717	1.7
71.60086	2.3
79.05482	17.5
81.07049	100.0
82.07366	1.5
83.08603	21.4
85.06532	1.7
87.72887	1.1
91.05466	11.8
93.06468	2.1
93.07036	39.1
95.04951	2.5
95.08598	98.5
96.08884	1.2
97.06507	2.4
97.10160	12.1
99.08079	2.5
102.91692	1.0
105.06375	1.9
105.07025	21.4
107.08586	55.9
108.53339	1.1
109.06504	2.6
109.10143	73.9
111.08072	2.2
111.11706	8.5
117.06989	1.9
119.08572	25.3
121.10128	44.9
123.08078	2.1
123.11697	41.4
125.09618	3.1
125.13268	2.2
131.08546	4.6
133.10120	21.0
135.11681	28.7
137.13248	23.6
139.11121	2.8
144.09277	1.1
145.10080	5.7
147.11684	22.9
149.13243	33.3
151.11154	5.3
151.14798	8.0
153.12724	1.5
159.11658	8.4
161.13239	17.0
163.14807	20.0
165.12729	1.9
165.16373	4.5
173.13248	4.6
175.14816	10.9
177.16350	14.5
179.14337	1.4
179.17897	1.7
185.13249	1.2
187.14795	3.4
189.16345	10.4
191.17966	12.7
193.15857	1.6
193.19473	1.8
201.16443	3.6
203.12732	1.3
203.17950	13.1
205.19478	13.1
207.17371	2.1
207.21002	1.6
215.17920	3.0
217.19510	9.5
219.21046	3.4
221.19014	2.1
229.19450	3.1
231.21107	4.9
233.22487	2.0
235.20517	2.3
235.92433	1.1
243.21091	2.4
245.22627	3.7
257.22717	3.3
259.24191	1.8
271.24237	3.2
273.25888	1.8
275.23477	1.6
285.25674	2.2
289.25525	1.6
327.30359	1.4
339.06995	1.0
345.31345	1.4
353.32184	1.9
370.30487	1.1
371.32819	2.3
409.38278	18.3
410.38458	1.6
427.39328	70.7
428.39667	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	425.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
54.97865	0.4
67.05500	0.4
67.38129	0.4
71.04993	0.4
71.20679	0.8
79.05421	0.5
81.07055	2.6
93.07037	0.9
107.08599	1.0
109.10117	0.5
133.15627	0.4
135.11670	0.6
148.12004	0.4
187.03668	6.0
190.67770	0.5
261.18256	71.6
262.18726	1.4
283.16846	0.8
284.17136	0.9
340.23465	1.0
381.24057	3.5
425.22968	100.0
426.23380	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	427.1569
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.2
57.04561	0.5
59.04958	0.2
69.03398	0.3
69.55032	1.5
70.06588	0.4
76.07635	0.4
81.30008	0.2
85.02879	0.3
91.05462	0.4
94.04053	1.3
95.08593	0.3
97.02863	0.3
98.97580	0.3
107.04974	0.2
109.10109	0.3
112.07563	0.2
119.03557	0.2
121.05103	0.2
123.04397	0.3
123.06651	0.9
148.06125	0.3
150.07735	100.0
151.08188	1.2
282.11905	0.8
295.11475	25.0
296.11777	0.4
307.56747	0.2
427.14261	0.3
427.19336	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	425.1805
Annotation	(-)-Ixerin B
Peak:m/z	Relative Intensity
53.03933	5.7
55.01849	2.8
55.05493	7.5
56.35773	1.6
60.92859	2.2
67.05502	3.8
69.03423	14.7
71.04974	3.2
71.40350	4.0
79.05495	3.3
80.41161	1.7
81.03415	3.7
81.07053	8.0
81.43241	1.8
83.04980	37.1
85.02900	7.8
91.05479	6.8
93.07039	7.5
95.04971	7.5
95.08584	4.0
97.02904	12.8
97.06512	2.7
99.04453	15.2
100.11221	2.8
103.03964	4.5
105.07004	8.5
107.04937	3.4
107.08572	7.4
109.02881	18.4
109.06499	3.2
109.10121	2.6
111.04413	2.8
113.02463	1.9
117.06976	4.5
119.08577	7.0
121.06496	8.9
123.04411	2.4
123.08067	5.8
127.03907	17.6
128.06203	5.9
129.07004	6.7
131.08553	8.2
133.10092	2.1
135.08044	69.0
137.05923	4.0
141.06972	4.3
142.07745	8.4
143.08524	10.4
145.06506	2.3
145.10104	5.1
147.04373	2.8
147.08064	4.3
149.05920	2.1
149.09633	7.3
151.07564	2.2
153.07022	9.3
155.08519	8.4
156.09360	13.1
157.06479	1.9
157.10126	11.0
158.07228	4.5
159.08040	11.5
159.11696	10.3
161.05991	2.6
163.03905	2.3
163.07559	3.7
165.07019	6.5
165.09108	3.9
166.07758	4.4
168.09375	9.6
169.06396	4.1
171.08066	12.9
171.11664	14.2
172.08836	13.6
173.09644	13.6
175.07571	5.7
175.11147	5.0
177.05472	2.7
181.10080	7.9
183.11661	7.7
184.08820	8.0
185.09576	13.4
186.10323	3.8
187.07466	2.9
187.11185	16.4
189.12672	2.3
197.05931	4.5
197.09573	3.1
199.11150	49.1
203.10652	32.3
209.09613	9.4
210.14914	2.7
211.07550	2.4
212.08331	16.9
215.10664	83.1
217.12192	9.7
227.10661	60.5
233.11707	33.3
245.11722	100.0
263.12784	24.8
330.79477	2.1
333.78510	1.8
371.14807	19.4
389.15897	5.8
400.98804	2.2
425.16730	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	425.1139
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52597	0.4
50.67275	0.3
71.05804	0.6
71.06132	0.4
77.00891	0.4
82.99878	1.7
90.76543	0.4
92.00597	0.3
94.99830	0.4
97.02876	0.8
98.97575	0.4
101.00874	9.2
105.00362	0.4
109.01465	0.4
109.02872	0.8
113.00862	1.5
119.01916	26.1
127.02422	1.1
127.13656	0.3
129.03992	0.7
131.01898	8.0
131.64793	0.3
133.03426	0.5
137.02948	4.1
142.03491	0.9
143.01884	21.2
144.02046	0.7
145.03444	8.9
145.04501	0.7
147.01375	1.1
147.04999	0.6
149.02969	1.1
152.28787	0.3
155.00620	0.7
155.01874	11.3
157.03458	6.8
161.02946	50.8
162.03082	1.6
163.04512	1.4
167.01878	4.8
169.03453	2.6
171.05009	2.1
173.02951	20.7
174.03062	0.5
175.04460	1.4
179.01906	2.5
179.04021	1.2
181.91597	0.4
182.17885	0.5
184.04500	2.1
185.02950	32.9
186.03073	1.3
187.04518	3.6
191.03986	4.6
196.04506	0.6
197.02946	13.2
197.04771	0.8
198.03067	0.5
199.04541	0.5
203.03998	16.5
204.04156	0.6
208.04593	0.7
209.02946	1.2
215.04007	7.2
221.03081	0.4
221.05023	2.4
226.05516	0.5
227.04007	7.2
233.05107	1.1
239.04022	0.8
245.05058	100.0
246.05190	3.5
257.05093	5.4
263.06113	30.3
264.06268	1.1
265.73438	0.4
269.05481	0.5
275.06097	16.0
276.06305	0.6
281.07242	0.5
286.07840	1.0
293.07129	4.7
294.07434	0.4
299.06183	0.4
305.07166	14.1
306.07294	0.7
317.07224	1.0
335.08249	3.9
347.08060	0.6
365.09286	8.0
366.09454	0.5
383.10333	1.2
425.11221	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	425.0844
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96564	4.4
57.03428	2.1
59.48963	1.6
69.03417	5.3
70.99333	3.8
70.99706	3.5
73.02905	2.0
85.02902	8.3
91.05483	4.0
97.02876	5.0
98.97575	8.0
101.00880	3.9
116.98632	4.2
119.01909	15.2
119.04906	3.8
128.98636	3.3
131.00166	2.7
131.01901	6.5
134.99718	2.4
136.90074	1.7
137.02936	3.3
143.01889	11.7
145.03470	7.7
146.99641	3.1
151.07574	4.1
155.01915	5.2
157.03519	3.1
158.99681	2.3
161.01485	2.8
161.02945	38.7
163.04030	2.1
167.01939	3.1
171.05084	2.3
173.01457	2.9
173.02985	12.8
175.04509	2.7
177.00822	2.0
179.01933	2.2
181.03580	1.9
185.02983	22.9
186.03134	2.2
187.04509	4.3
191.03989	3.7
197.03026	8.9
203.03984	6.3
215.04041	6.9
219.01666	3.3
219.07082	2.9
221.05136	2.4
227.04012	6.0
237.02823	4.2
245.05083	60.0
257.05066	3.3
263.06058	15.3
275.06143	8.2
293.07443	2.5
305.07291	5.9
321.10162	2.3
332.17078	2.0
335.08243	3.7
365.09198	5.5
370.92770	1.8
381.09360	7.1
425.08395	100.0
426.08783	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	423.3105
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.5
55.05510	3.0
56.27166	0.3
57.03419	1.5
57.07076	3.5
61.96934	0.4
65.75696	0.3
67.05502	6.0
69.07072	4.4
69.29039	4.5
71.04978	0.6
71.08627	3.5
79.05494	4.6
81.07059	9.2
83.04946	0.5
83.08592	1.6
85.06532	1.9
91.05471	2.8
93.07037	6.0
95.04948	1.0
95.08605	8.2
97.02880	1.5
97.06506	1.9
97.10146	0.7
99.08079	1.9
105.07031	3.8
107.08582	5.5
109.05787	0.7
109.06516	13.4
109.10151	2.8
111.08039	1.1
117.07014	0.7
119.08589	4.4
121.06501	0.7
121.10122	2.7
122.07278	1.6
123.08061	22.5
123.11683	1.2
124.08385	0.4
131.08551	1.6
133.10141	3.1
135.08055	5.6
135.11670	1.2
137.09592	0.9
145.10124	1.8
147.11690	2.9
149.09605	1.6
149.13225	1.2
151.11179	0.4
151.14824	0.5
159.11682	1.5
161.09660	0.4
161.13220	1.0
163.11293	0.5
165.12758	1.1
167.14276	1.2
173.13222	1.0
175.14793	0.5
177.12767	1.8
179.14307	67.0
180.14709	1.8
187.14738	0.5
191.14264	0.8
193.15895	2.7
194.09222	0.3
203.17996	0.5
205.15897	2.8
216.89841	0.4
233.19043	0.9
247.20705	0.6
253.97041	0.4
275.20010	1.5
289.25204	0.6
293.21173	1.0
303.26743	2.4
313.25162	0.6
331.26303	24.1
332.26666	1.0
349.27371	6.0
367.24762	0.4
405.29993	1.4
423.31052	100.0
424.31329	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	423.3621
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	13.6
57.07080	8.0
59.04999	3.5
67.05504	26.9
69.03401	3.0
69.07056	21.1
69.58067	10.2
69.58495	16.4
71.08605	3.5
75.60562	2.8
79.05499	13.4
81.07053	67.7
83.04951	4.6
83.08618	9.0
85.06528	3.5
91.05479	19.2
93.07043	42.4
94.07413	3.3
95.04983	5.2
95.08610	63.2
95.31023	2.9
97.06508	8.3
97.10168	5.7
98.21481	6.5
105.07022	43.5
107.08594	60.8
109.06528	11.2
109.10152	35.2
111.08131	3.2
117.07002	5.0
119.08578	44.3
119.74210	3.1
121.10146	41.7
123.08079	25.1
123.11689	16.2
125.09624	34.4
129.06978	3.5
131.08575	12.8
133.10112	28.9
135.08102	5.3
135.11743	18.0
137.09631	5.3
137.13290	5.1
139.11186	24.6
143.08623	3.4
145.10126	24.5
147.11691	35.0
149.09630	7.8
149.13266	18.5
157.10110	7.5
159.11685	14.8
161.13246	23.8
163.14824	12.4
167.10732	24.6
171.11697	6.3
173.13303	12.4
175.14799	14.8
177.16406	7.9
179.14313	31.8
185.13322	6.4
187.14864	14.9
189.16364	14.6
191.17999	4.2
197.13216	3.3
199.14932	5.4
201.16408	14.8
203.17966	43.7
205.15907	4.8
213.16396	7.4
215.18030	6.8
217.19559	11.7
219.17416	7.1
221.09627	7.3
227.17668	3.9
229.19518	8.1
239.10699	10.4
241.19463	4.3
243.21136	4.3
269.22757	7.2
299.23724	3.3
331.26266	19.2
349.28336	6.6
405.35251	26.4
423.30960	68.2
423.36261	100.0
424.31357	9.0
424.36621	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	423.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12826	4.3
53.03936	5.0
55.01859	5.3
55.05511	26.4
57.03430	13.1
57.07073	8.1
59.04999	5.4
65.63980	4.5
67.05502	78.8
69.03419	21.8
69.07069	31.8
71.04988	6.5
71.60106	8.3
79.05497	52.6
81.03421	30.8
81.07059	100.0
83.04976	7.6
83.08614	12.5
85.02909	8.9
85.06531	5.7
91.05478	48.0
93.07040	65.6
95.04963	12.8
95.08598	53.4
97.02903	11.2
97.06519	10.5
97.10138	7.7
99.08082	5.1
103.03952	5.4
105.07004	40.8
107.04938	9.0
107.08591	42.1
109.06475	26.0
109.10152	42.7
111.04437	8.2
111.08035	7.8
117.07017	20.2
119.08587	43.1
121.10117	34.6
123.08051	28.5
123.11716	14.1
127.03899	5.1
129.06964	7.9
131.08568	22.5
133.10126	33.8
135.08047	15.3
135.11728	29.7
137.09618	7.2
137.13211	6.0
143.08562	10.9
145.10109	22.2
147.04413	8.5
147.08031	5.2
147.11700	20.4
149.09630	7.1
149.13248	19.8
159.11687	21.1
161.13287	12.0
169.10181	7.9
171.11581	7.3
173.11813	7.0
173.13269	14.3
179.14323	56.2
183.11717	6.5
184.66774	4.4
185.13220	9.8
187.14838	6.1
195.13710	5.0
197.13206	5.1
211.37741	4.2
219.93407	4.5
239.32463	4.4
259.20551	8.2
261.22150	16.5
277.21683	4.9
289.21466	6.5
303.23181	12.2
319.22632	6.9
331.26257	26.2
345.23944	6.2
351.23059	7.8
369.24188	19.4
387.24948	16.7
390.83585	6.5
405.26425	31.6
423.26749	23.0
423.31711	87.2
425.01859	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3105
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98554	0.8
53.03940	2.7
55.01852	1.8
55.05510	8.1
56.37398	0.7
57.03441	4.1
57.07074	4.8
57.45261	0.7
65.03924	1.0
67.05501	23.6
68.35036	0.7
69.03421	3.3
69.07064	9.4
69.43040	8.1
71.04985	4.0
71.08622	3.2
73.02905	2.1
79.05491	17.9
81.03422	2.7
81.07050	27.1
82.23191	0.7
83.04996	1.4
83.08627	5.2
85.02898	1.5
85.06522	2.8
91.05470	11.6
93.07040	25.5
93.07627	1.4
95.04955	2.5
95.08601	22.5
97.02883	26.7
97.03513	1.5
97.06513	2.3
97.10155	2.0
99.04448	14.1
99.08094	2.4
105.07020	8.5
107.08592	13.8
109.02877	4.4
109.06508	14.4
109.10152	10.4
111.08086	1.9
117.07001	2.7
119.08570	8.8
121.10139	14.4
123.08062	34.1
123.11702	2.9
125.09595	1.5
127.03912	7.8
131.08566	5.0
133.10101	7.2
135.08054	6.5
135.11684	7.4
137.09624	1.8
143.08543	1.0
145.04958	4.3
145.10127	5.7
147.11700	4.7
149.09642	1.3
149.13254	3.9
153.12660	0.9
159.11725	4.4
161.13232	3.4
163.11176	1.3
163.14894	1.5
165.12695	1.5
167.14330	0.9
173.13280	3.5
175.14809	1.7
177.12759	2.2
177.16479	1.1
179.14301	54.5
180.14653	1.3
187.14845	2.4
191.14313	1.4
193.15887	1.6
201.16335	1.2
205.15886	2.0
233.19113	1.4
243.21092	1.2
261.22162	9.6
262.22830	0.8
263.20282	0.9
275.20135	3.0
293.21017	1.3
303.26834	2.9
331.26306	26.3
349.27353	6.7
367.24731	1.4
405.30142	1.4
423.31042	100.0
424.31470	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	423.274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	5.1
54.49771	2.0
55.01863	4.4
55.05505	21.0
57.03437	11.2
57.07066	7.5
57.09196	2.1
58.05775	1.9
59.04992	7.4
61.02918	2.2
63.14900	1.9
65.03923	4.9
67.05501	80.6
69.03428	19.7
69.06782	1.9
69.07066	23.8
69.38539	19.8
71.01361	3.8
71.04983	7.6
71.08632	2.7
73.02914	3.0
79.05487	66.7
81.03410	11.0
81.07053	100.0
83.04974	8.9
83.08596	9.5
84.32575	2.0
85.02898	34.4
85.06544	3.4
91.05478	48.1
93.07037	82.5
95.04953	11.0
95.08601	69.0
97.02911	18.0
97.06531	6.5
97.10138	5.1
99.04438	5.8
99.08090	2.2
105.07034	40.2
107.04945	3.0
107.08595	51.0
109.02863	2.9
109.06514	13.9
109.10153	39.3
111.04422	5.7
111.08063	4.8
113.02375	3.6
115.11223	2.4
117.07005	19.8
119.07799	2.6
119.08575	34.0
121.06534	4.5
121.10144	44.2
123.04404	2.3
123.08053	24.2
123.11679	16.5
125.09620	2.3
127.03888	13.3
129.05476	5.7
129.06969	7.6
131.08574	33.0
133.06465	3.1
133.10126	30.1
135.08069	8.4
135.11707	31.1
137.06003	2.4
137.09596	3.2
137.13228	7.3
139.11153	2.5
141.06981	2.5
143.08562	10.2
145.04958	5.4
145.06439	3.5
145.09053	2.7
145.10135	23.2
147.07959	2.5
147.11679	21.4
149.09564	2.8
149.13252	23.4
151.11124	2.5
155.08549	3.7
157.10146	5.7
159.07893	2.5
159.11670	21.7
161.13287	15.5
163.14790	6.1
167.08623	2.8
169.10156	3.3
171.11739	8.3
173.13257	17.6
175.11122	2.6
175.14815	5.3
177.12730	2.3
177.16478	2.8
179.14310	38.5
183.11649	3.4
185.09592	2.6
185.13284	8.2
187.07486	2.1
187.14870	10.4
189.12714	3.2
199.11195	2.8
199.14743	4.9
201.12712	2.9
201.16449	4.1
205.15851	2.4
209.13211	2.5
213.12677	3.2
213.16360	2.4
233.22604	2.1
241.19571	5.2
243.21150	10.6
259.20547	13.7
261.22131	46.0
273.22064	2.1
275.20078	4.4
277.21689	7.3
279.23148	8.2
282.65488	2.4
289.21640	8.7
291.23209	3.3
301.21408	3.8
303.23254	9.8
313.21472	2.7
315.23120	8.7
317.24670	4.8
327.23184	4.4
328.67941	2.7
331.22720	3.0
331.26263	16.0
333.24396	3.0
340.77502	2.2
341.24850	2.4
345.24197	11.3
349.27472	5.7
351.23038	5.1
357.24200	8.4
369.24146	18.9
387.25235	20.7
405.26215	14.2
423.26620	13.7
423.31760	52.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.6
55.01841	4.3
55.05509	22.3
57.03443	6.5
57.07077	4.5
61.02852	3.1
67.05505	100.0
68.85621	3.5
69.03422	14.8
69.07072	22.5
69.47089	16.1
69.47517	14.6
71.04992	5.6
79.05059	4.1
79.05494	48.1
81.03416	11.4
81.07063	87.7
83.04955	5.1
83.08607	10.6
85.02917	22.0
85.06525	5.8
85.37899	3.3
91.05484	47.8
93.07046	63.6
95.04950	7.2
95.08613	52.8
96.99977	3.5
97.02892	10.1
97.06541	8.2
97.10149	4.6
105.07045	27.9
107.04948	4.0
107.08603	38.0
109.06514	9.4
109.10159	44.4
117.07015	11.5
119.04935	4.7
119.08577	32.5
121.10143	26.3
123.08068	19.1
123.11675	8.8
127.03925	8.2
129.05473	5.2
129.06993	7.1
131.08583	22.0
133.06480	4.1
133.10147	21.6
135.08022	4.5
135.11707	25.7
137.09671	5.7
143.08539	6.2
145.06493	3.3
145.10153	16.0
146.40025	4.3
147.04364	8.3
147.11678	16.0
149.13243	19.0
157.10127	6.7
159.11673	21.2
161.13264	10.0
163.11137	3.9
169.10077	4.4
171.11650	6.0
173.13234	8.7
175.11107	5.0
175.15001	3.5
179.14349	26.4
183.11613	3.1
185.13298	4.3
187.17545	3.8
211.51700	3.1
241.19716	4.2
243.21069	6.9
259.20599	7.4
261.22171	28.2
277.21558	4.6
279.23227	3.9
289.21674	5.5
303.23215	7.6
315.23096	5.6
331.26270	7.7
345.24231	7.4
369.24158	10.9
387.25372	9.6
405.26224	13.0
423.27127	24.7
423.31186	32.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.6
53.66266	1.1
55.01868	4.0
55.05511	9.3
57.03428	3.9
57.07057	4.7
59.05009	1.2
61.26167	1.2
65.03907	1.5
66.82450	1.3
67.00792	1.2
67.05499	31.0
69.03423	6.2
69.07068	9.7
71.04988	3.2
71.08624	3.0
71.62675	2.5
73.02907	2.3
73.18974	1.3
79.05486	22.7
81.03404	5.0
81.07048	33.5
83.04949	1.4
83.08614	5.8
85.02874	2.0
85.06532	3.0
91.05464	16.0
93.07036	29.8
95.04966	4.6
95.08597	31.0
97.02887	36.5
97.03515	2.0
97.06532	2.6
97.10175	1.6
97.84785	1.3
99.04449	17.1
99.08109	2.5
105.07018	14.5
107.08586	20.9
109.02868	5.3
109.06497	15.9
109.10159	15.2
111.04473	1.3
111.08103	2.2
117.05521	1.6
117.07003	3.0
119.08576	10.8
121.10147	16.9
123.08059	30.3
123.11706	4.4
127.03903	12.0
129.07019	1.8
131.08545	7.5
133.10124	11.2
135.08067	4.1
135.11678	11.2
137.09628	3.0
143.08585	1.6
145.04980	7.4
145.10100	6.2
147.11702	6.0
149.09618	2.8
149.13277	4.5
151.11302	1.4
157.10159	2.1
159.11705	5.3
161.13258	5.3
163.14827	3.6
165.12801	1.7
167.14322	1.4
173.13263	5.2
175.14793	3.1
177.12762	2.6
177.16389	1.5
179.14296	57.5
185.13292	1.5
187.14836	2.1
201.16362	1.5
243.21252	2.6
261.22064	9.8
275.20081	2.9
279.23260	1.4
297.57608	1.6
303.26779	1.6
331.26260	24.5
349.27466	6.4
387.25174	1.4
405.30460	1.8
423.31107	100.0
424.31586	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2948
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21812	0.7
53.03939	1.2
55.01857	3.4
55.05512	8.1
57.03433	5.1
57.07081	6.1
58.50678	0.7
60.38367	0.7
65.03927	1.1
67.05169	1.3
67.05500	15.6
68.03481	0.7
69.03408	2.1
69.07068	15.8
69.52589	7.4
71.04986	2.4
71.08612	1.9
77.20171	0.8
78.39455	0.8
79.05489	10.5
81.07057	22.7
83.05008	3.7
83.05424	0.9
83.08622	5.1
85.06535	4.9
91.05484	8.5
91.58999	0.8
93.07043	16.2
95.04944	2.6
95.08606	14.8
97.06530	8.2
97.10165	1.7
97.78381	0.8
105.07022	9.8
107.04927	1.1
107.08594	18.0
109.06503	12.3
109.10147	6.8
109.34203	0.8
111.04418	3.3
111.08084	3.4
117.07047	2.0
119.08581	7.8
121.02830	0.8
121.06491	1.7
121.10148	7.5
123.08069	9.3
123.11698	2.4
125.05976	3.8
125.09677	0.7
129.07008	0.9
131.08588	2.8
133.06499	0.9
133.10138	4.6
135.08049	50.9
135.11684	10.1
136.08383	1.6
137.05992	8.7
137.09572	1.3
137.13246	1.9
139.07521	0.9
143.08591	0.9
145.10150	5.0
147.08087	1.2
147.11690	5.6
149.02307	1.2
149.09605	5.1
149.13268	2.0
151.07527	4.3
151.11270	1.0
153.12775	2.5
157.10144	2.6
159.11702	3.5
161.09610	4.2
161.13284	2.2
162.03058	1.6
163.11195	2.2
163.14787	1.0
165.12746	3.5
167.14333	1.5
171.11609	1.2
175.11203	1.5
175.14864	1.2
176.13576	1.0
177.12746	16.6
179.14238	3.9
181.12193	4.1
185.13266	1.1
187.14857	1.1
189.12793	1.5
190.13506	0.9
191.14357	3.2
193.04987	1.2
193.12227	1.6
203.14400	1.8
205.15947	1.8
206.05801	1.3
217.14290	1.7
217.16159	0.9
221.19006	2.2
233.18997	1.3
235.20547	2.6
249.18405	0.9
263.20114	1.9
267.09033	0.9
277.21844	0.9
287.23828	1.8
291.19550	1.0
301.25229	1.6
303.27078	0.9
305.21405	2.3
305.24734	41.9
306.25137	2.9
319.26257	12.4
329.24701	11.4
337.27234	1.1
347.25790	55.1
348.26263	4.7
365.26895	6.1
385.09274	1.1
393.29935	3.9
403.28476	3.1
421.29492	100.0
421.78360	1.4
422.29788	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	422.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	2.6
53.21986	2.8
55.01843	4.1
55.05507	8.5
57.03436	3.8
57.07070	8.4
58.06593	3.7
61.02912	4.0
63.63895	2.8
67.05497	15.3
69.03431	14.0
69.07059	11.2
69.89020	2.5
71.04993	20.2
71.58791	5.2
74.06094	5.1
78.03444	3.7
79.05506	10.0
81.03412	9.0
81.07053	35.7
83.04977	11.5
85.02908	39.0
85.06525	7.6
86.03260	3.4
91.05463	11.7
92.54672	3.0
93.07040	18.4
93.08317	2.7
95.05012	14.6
95.08594	39.7
97.02879	11.6
97.06544	11.0
99.04452	20.1
105.07035	28.0
106.02937	9.5
107.04952	7.0
107.08587	28.4
109.02888	4.3
109.06518	21.4
109.10146	40.0
111.04459	2.9
111.08088	7.9
118.92145	2.6
119.04980	4.2
119.08567	34.1
121.06465	15.3
121.10140	90.1
123.08063	100.0
123.11727	13.6
124.03941	21.2
125.09614	7.4
127.03920	12.2
127.07575	3.9
131.08609	6.3
133.10115	12.7
135.08052	6.9
135.11714	12.3
137.02333	17.6
137.05981	4.6
137.09624	20.7
137.13260	8.0
141.09148	4.4
145.04996	4.9
145.10144	12.2
147.07988	4.5
147.11688	27.7
148.38875	3.0
149.09610	35.6
151.07536	15.0
151.11153	14.8
151.14772	4.8
153.09161	3.0
159.09251	3.5
161.13254	67.1
163.03918	12.2
163.11195	21.5
165.09087	3.3
165.12756	22.0
167.10655	4.6
169.08560	5.0
169.12274	6.8
171.11644	6.3
179.14305	62.5
181.12288	21.7
189.12767	44.0
207.13800	67.8
225.14856	58.9
243.15895	42.9
260.12994	8.0
268.08228	17.1
297.59079	3.4
347.92068	3.7
422.10571	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	421.2949
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03872	0.8
55.01770	3.5
55.02052	1.2
55.05404	6.2
55.05704	2.2
57.03326	8.9
57.03647	3.3
57.06967	29.6
57.07473	1.2
59.57526	0.6
62.75212	0.8
66.01483	0.7
67.05386	12.4
67.05789	2.8
68.05295	0.6
69.03333	0.9
69.06947	9.0
69.07359	1.6
69.51325	2.6
69.51754	3.6
70.06511	1.4
71.04876	1.8
71.05235	1.1
71.08573	0.9
79.05364	8.9
79.05866	1.4
81.03295	1.1
81.06926	23.9
81.07461	3.6
83.04850	3.0
83.08489	5.0
83.63384	0.7
85.06410	17.6
85.06982	2.1
85.82535	0.7
88.07545	1.4
89.07838	0.7
91.05345	7.9
93.06908	11.7
93.07539	1.3
95.04813	3.2
95.08467	16.7
97.06390	4.7
97.10037	1.7
98.21480	1.5
99.07977	1.2
102.09077	1.3
105.06886	8.2
107.04865	1.0
107.08451	14.8
107.09225	1.0
109.06374	16.1
109.07158	1.1
109.10017	6.7
111.04298	2.7
111.07933	4.2
117.06883	2.4
119.08433	9.0
121.06364	1.2
121.10151	8.4
123.07917	10.8
123.11706	3.8
123.81422	0.7
125.05997	3.9
125.09521	0.8
131.08392	2.2
133.09967	6.3
135.01707	0.6
135.08052	17.7
135.08986	1.0
135.11694	5.2
137.05977	27.3
137.06935	1.4
137.09477	2.1
137.13121	2.6
139.07402	2.4
141.75317	0.8
143.08463	1.8
145.10153	3.3
147.04236	2.3
147.07928	1.6
147.11720	4.3
149.02226	2.0
149.05873	1.4
149.09480	3.2
149.13092	2.4
151.07532	7.6
151.11205	3.6
153.12584	2.0
157.09982	1.7
159.11548	2.9
161.09633	3.3
161.13101	3.2
162.03140	4.2
163.11058	1.6
163.14716	1.5
165.09003	2.0
165.12759	7.9
167.10541	0.9
167.14261	0.9
171.69954	0.8
173.13147	1.4
175.11073	2.3
177.12758	6.6
179.10553	1.5
179.14345	4.3
181.12112	1.5
184.04311	1.6
184.54520	1.0
186.67818	0.8
187.14757	0.8
189.12657	1.6
191.14128	2.6
193.04820	2.6
193.12180	3.5
194.12761	0.9
195.13753	1.6
201.16171	0.7
203.14276	0.8
203.17888	1.0
206.05818	3.5
207.12213	0.8
207.13791	8.8
215.17776	0.9
221.18951	1.0
228.23152	1.1
231.17348	1.3
233.18945	2.5
235.20380	1.0
249.18382	1.1
256.26331	1.1
261.18579	0.8
263.20032	5.7
277.17798	1.1
277.21701	1.0
285.10254	0.8
291.19379	1.4
301.25244	1.0
305.24670	1.7
306.66080	1.1
319.22882	1.0
319.26321	11.2
320.67728	2.6
329.21127	1.2
329.24628	4.0
337.27304	5.6
347.25809	100.0
348.26147	7.0
365.26886	22.0
366.27100	0.8
385.09296	2.0
393.30005	11.8
403.28522	2.8
421.29517	82.4
421.78497	3.2
422.29861	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	421.2947
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77193	1.0
53.03936	1.1
53.04469	0.9
55.01866	6.7
55.05511	15.2
57.03436	11.3
57.07073	11.5
65.03915	1.6
67.05502	27.7
69.03413	3.0
69.07066	32.9
69.39950	5.1
69.40376	4.2
71.04980	3.2
71.08615	3.9
75.50780	0.8
77.03899	0.9
79.05494	20.0
81.03402	0.9
81.07053	37.9
83.04990	6.0
83.08607	9.3
85.06540	10.8
87.48261	1.4
91.05483	11.3
93.07034	28.7
95.04961	3.9
95.08604	29.0
97.06516	11.8
97.10171	2.2
99.08078	2.1
105.07019	10.3
107.08592	25.5
109.06512	19.3
109.10145	9.9
111.04446	5.8
111.08086	6.5
111.11674	0.9
117.07004	3.6
119.08569	11.6
121.06528	2.4
121.10159	9.2
123.08057	14.7
123.11718	4.9
125.05982	6.9
125.09659	1.4
131.08580	3.3
133.10136	7.6
135.08047	23.4
135.11687	18.3
137.05978	22.9
137.09590	2.6
137.13234	2.3
138.06743	0.9
139.07547	2.0
143.08543	1.9
145.10121	6.3
147.11707	7.1
149.09618	4.5
149.13254	3.7
151.07507	7.1
151.11200	3.1
153.08978	1.0
153.12733	5.9
157.10077	2.0
159.11720	2.4
161.09637	5.2
161.13258	2.3
163.11221	3.0
163.14821	1.9
163.18759	1.0
165.09152	1.7
165.12741	7.1
167.14333	3.4
171.11646	1.4
172.95180	2.4
173.13248	1.3
175.11237	2.4
177.12730	9.9
179.14336	6.0
181.12248	9.7
184.04425	1.0
185.13321	1.9
187.14900	1.3
190.96292	1.6
191.14296	1.4
193.04962	1.2
193.12234	3.6
195.13907	1.1
205.15862	1.6
206.05766	1.1
207.13829	1.0
217.14249	2.1
219.17319	1.0
221.15514	1.1
221.18987	4.9
228.97971	1.6
235.20609	3.5
249.18526	2.1
263.20026	6.2
273.37949	1.0
277.21628	1.7
287.23590	3.3
291.19455	1.6
301.25195	1.1
303.26706	2.0
305.24722	88.2
306.25046	5.3
319.26300	24.6
320.26703	1.2
329.24658	5.9
337.27451	3.0
347.25787	100.0
348.26111	6.9
365.26892	13.4
393.29913	7.6
403.28439	4.7
421.29449	70.0
422.29813	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	421.2944
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	2.5
55.05507	9.0
57.03443	10.3
57.07072	36.7
63.33878	1.7
67.05502	17.1
69.07065	11.8
71.60270	2.4
79.05475	10.3
81.07054	28.4
83.04974	3.0
83.08617	6.1
85.06529	19.0
91.05474	6.2
93.07031	15.1
95.04971	3.3
95.08600	17.1
97.06540	3.2
97.10166	2.6
100.45512	1.8
105.07005	8.7
107.04969	2.9
107.08596	16.4
109.06526	15.9
109.10164	8.3
111.04497	2.7
111.08066	3.0
119.08583	7.5
121.10142	6.1
123.08067	9.7
123.11664	3.5
124.05291	2.0
125.05972	3.7
133.10143	5.6
135.08041	17.4
135.11719	5.7
137.05986	26.0
139.07561	2.1
145.10100	3.6
147.11720	4.7
149.09602	2.9
151.07533	6.1
151.11168	2.8
153.12671	2.1
159.11790	1.8
161.13239	2.7
163.11156	1.7
164.50795	1.7
165.12784	10.5
177.12785	7.8
179.14354	5.2
191.14365	3.2
193.12259	3.9
207.13831	12.7
207.64716	1.9
216.06395	1.7
227.95401	1.7
233.18939	2.0
263.20078	5.2
305.24808	4.4
319.26291	12.8
329.21182	2.1
329.24844	5.3
334.81207	2.0
337.27252	6.9
341.99182	2.5
347.25797	100.0
348.26312	2.8
365.26926	22.4
393.29922	12.5
403.28717	4.5
421.29483	95.4
422.29358	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	421.2949
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.5
55.01870	2.6
55.05506	7.7
57.03445	7.8
57.06826	1.8
57.07074	24.6
65.03963	1.8
67.05507	11.2
68.01672	1.3
69.07066	7.1
71.08608	1.8
77.38775	1.1
79.05484	8.0
81.06594	1.2
81.07064	22.9
83.04969	3.3
83.08622	3.0
85.06544	12.8
91.05501	6.5
93.07042	12.7
95.04977	2.1
95.08604	12.5
97.06528	4.3
97.10148	2.3
98.21535	2.4
105.07036	6.5
107.08598	13.1
109.06518	15.5
109.10153	6.9
111.42534	1.4
119.08597	7.5
120.08834	1.2
121.06458	1.5
121.10168	6.3
123.08052	8.4
123.11726	2.8
125.05978	2.5
129.06963	1.5
131.08527	2.7
133.10117	4.5
135.08047	15.0
135.11662	4.4
137.05971	20.1
137.09587	1.6
137.13220	2.3
139.07594	1.7
145.10132	2.7
147.04424	2.9
147.11699	3.6
148.61714	1.3
149.09682	2.3
149.13257	2.9
151.07567	5.3
151.11185	4.1
153.12779	2.5
159.11685	2.2
161.09583	3.3
161.13324	1.3
165.09071	2.3
165.12790	5.7
175.11227	1.9
177.12692	5.9
178.96780	1.2
178.98363	1.2
179.14366	3.5
190.73840	1.2
191.06985	1.8
193.12242	2.4
195.07936	1.4
197.22192	1.3
203.18039	1.9
207.13812	8.1
211.49918	1.5
213.16402	1.5
233.19084	2.2
249.18654	1.3
263.20111	4.7
272.74738	1.3
319.26389	12.0
329.24792	3.7
337.27539	4.2
347.25815	100.0
348.26105	6.9
365.26877	20.2
393.29910	11.2
403.28696	2.6
421.29550	70.8
422.29898	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	420.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43680	0.4
53.03931	1.4
55.01875	0.4
55.05502	0.6
57.07064	1.8
65.03939	0.5
65.19331	0.5
67.05510	3.2
69.03427	2.8
69.07065	2.7
71.04984	0.5
78.03091	0.4
79.05487	6.7
81.03410	2.1
81.07052	100.0
82.07373	1.1
85.02899	6.8
87.00829	3.3
93.07050	0.9
95.04949	0.5
95.08600	15.1
97.02884	6.2
99.04458	1.2
105.01846	7.3
107.04970	0.7
109.02876	1.8
109.10149	1.1
126.90112	0.5
127.03912	8.1
137.13248	25.5
145.04947	4.7
145.06100	0.5
145.06541	0.6
159.02913	1.3
167.03409	0.5
167.07033	1.5
168.07394	1.4
175.79570	0.4
182.05202	0.5
209.05661	0.5
220.66324	0.4
231.04912	2.7
249.06123	1.8
284.09705	1.1
316.08987	1.0
320.24576	0.5
331.11456	1.5
420.16202	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1493
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	14.3
56.50946	2.1
61.03850	1.9
65.03930	21.7
65.78227	2.3
68.86383	2.1
69.03425	2.9
69.52865	19.6
70.06585	2.5
73.02915	59.7
73.81691	2.3
75.70300	2.0
79.05484	4.6
81.03397	3.2
81.07007	2.5
85.02911	5.4
91.03945	3.3
91.05473	4.9
93.03402	8.9
95.04933	3.9
97.02827	3.5
107.04949	5.0
110.03669	11.1
111.04446	26.5
119.04951	2.7
119.79161	2.4
121.06490	7.2
125.06001	14.8
135.04439	4.1
137.05971	11.3
139.03888	26.6
146.03671	2.7
147.04407	10.0
149.05992	5.8
151.03937	3.3
153.05460	51.4
153.06815	4.5
155.04974	2.5
161.05977	57.4
163.03972	5.1
165.05484	6.8
165.06972	4.9
169.06531	4.3
171.08032	4.6
173.06038	2.9
175.03909	3.4
177.05432	2.8
179.06990	2.9
181.06468	7.3
182.07283	5.2
184.05199	6.1
185.06018	3.5
193.04976	3.9
193.06537	2.6
195.06517	7.0
196.05200	4.0
197.05945	6.8
198.06720	6.9
199.07509	9.3
203.07060	16.0
205.04959	16.5
209.06018	4.0
209.07971	2.6
211.07526	10.5
212.04688	7.2
213.09134	13.1
215.06947	3.1
222.06709	2.7
224.04703	4.0
225.09221	3.4
226.06239	15.6
227.07013	42.9
229.04915	3.1
233.08090	29.4
236.04602	2.6
237.05359	3.2
238.06268	2.8
238.98558	2.7
239.03413	2.8
239.07063	12.9
240.07870	4.1
241.04854	4.2
241.08568	15.6
242.05811	5.0
243.06529	6.7
244.07436	3.0
246.99460	2.9
251.06866	2.5
251.09148	34.5
253.04955	4.5
253.08572	5.9
254.05679	5.6
255.06522	68.2
256.07330	5.5
257.08090	6.4
259.09766	16.1
265.08609	3.0
267.06522	6.9
269.08157	20.5
270.08719	3.8
271.05923	2.5
271.09738	4.4
273.11450	2.5
274.04709	8.1
281.04514	3.9
281.07980	9.6
282.05304	6.8
283.06247	2.6
283.09631	9.2
284.07019	3.8
285.07538	8.0
286.04852	4.2
286.08319	7.2
287.05914	5.8
287.09122	97.7
288.09708	5.4
289.06171	5.7
295.05823	2.7
295.09976	2.6
297.07535	13.6
299.09152	11.0
301.10657	19.2
309.07599	4.0
311.09158	11.7
313.07053	31.8
313.10690	9.9
315.08664	4.1
325.07114	2.9
327.08649	16.9
339.08728	4.2
341.10184	51.2
342.10803	4.9
343.11789	6.2
355.11865	6.1
358.10477	3.1
359.11237	100.0
360.11819	4.6
371.11359	13.2
372.11978	7.6
373.12772	47.0
385.12579	5.2
389.12381	2.9
403.14099	3.6
421.14694	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	420.1651
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21438	0.4
53.03934	1.6
54.35009	0.4
55.01878	0.8
65.03934	2.8
67.05453	0.6
69.03429	2.4
69.07043	0.7
70.06574	1.3
71.05007	0.7
71.61603	0.9
71.96030	0.5
73.02887	0.5
79.05431	0.5
81.03419	7.6
81.07047	0.8
85.02898	4.7
86.09713	0.7
86.50340	0.6
91.05458	2.8
93.07051	5.5
95.04971	5.6
95.08611	0.7
97.02898	5.3
99.04440	1.2
103.05457	2.9
105.07017	1.0
107.04961	3.5
107.08647	0.6
109.02882	3.4
111.04440	2.6
117.07050	0.6
120.89720	0.5
121.02868	100.0
121.06499	80.4
122.03168	1.4
122.06035	9.7
122.06834	1.0
125.48256	0.5
127.03921	2.3
133.06494	2.0
134.06812	1.2
135.11667	0.5
137.05975	4.0
138.06355	1.2
138.09138	29.0
139.03909	12.0
140.03242	0.5
145.04980	0.8
148.07567	0.5
163.11234	0.6
165.09167	0.6
176.39621	0.5
184.10541	0.6
205.12364	0.6
228.10184	1.3
246.11264	1.9
258.11264	2.1
258.14127	1.3
265.07083	11.1
266.07147	0.7
283.08142	6.0
302.57025	0.5
315.08237	0.7
366.13486	0.8
384.14526	1.5
402.15604	2.6
407.39331	0.5
420.16605	2.6
425.11389	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.186
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.9
57.03179	2.7
57.03436	28.4
59.04994	2.2
61.02932	8.8
69.03070	3.1
69.03422	35.4
69.29031	14.1
69.29446	4.0
71.01334	3.0
71.04993	3.1
73.02912	47.7
74.06071	3.3
76.03980	1.9
76.07639	2.7
77.04092	1.5
79.05471	2.5
81.03419	7.3
83.04978	2.2
85.02905	52.2
85.03423	2.6
86.09694	5.2
87.04462	12.0
91.05478	100.0
92.05794	1.6
93.07028	2.2
95.04966	2.1
97.02889	52.4
99.04431	4.8
103.03897	1.7
105.07027	3.1
107.04952	7.8
109.02880	4.6
112.05755	1.9
115.03929	54.5
117.06998	4.4
119.04945	1.6
121.02896	9.0
121.06500	7.1
122.02386	4.0
123.04409	1.9
123.08061	1.6
127.03912	18.1
129.06987	2.1
131.08560	1.9
133.04968	27.3
133.06490	3.8
134.17560	1.8
137.05885	1.7
145.04935	20.2
145.06456	2.5
150.07628	9.3
155.07068	2.1
157.06499	1.8
159.08078	2.7
161.04553	2.7
161.05917	3.4
163.03896	3.5
163.05984	13.4
163.07304	2.3
167.07039	5.7
168.07370	2.6
173.12906	1.7
175.07549	2.8
179.07008	3.5
187.43498	1.6
189.09026	2.3
199.21107	1.9
205.08643	3.1
207.10182	5.4
217.08670	3.6
223.06105	3.6
223.09737	2.9
223.13245	3.1
241.07080	9.4
253.10759	4.4
259.08072	5.4
271.11743	4.8
295.10281	4.7
316.09006	3.0
331.11230	4.4
383.72968	1.9
384.15369	2.6
402.15936	1.9
420.12790	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.7
55.01867	1.0
56.05031	0.9
57.03427	2.5
60.04508	1.4
65.03916	0.7
68.99783	0.7
69.03421	9.1
69.03771	1.0
70.06597	0.6
71.04977	1.6
71.59332	0.9
72.08132	0.5
73.02911	1.0
74.06054	0.7
75.04456	1.2
79.05495	0.7
81.03416	5.4
83.04987	0.6
85.02901	11.7
87.00832	2.7
87.04464	0.7
89.03915	0.9
91.05481	1.6
93.07047	2.0
94.06513	0.5
95.01316	2.3
95.04967	1.0
97.02890	5.5
98.97595	0.7
99.04453	2.3
101.02401	0.6
103.03942	0.6
103.05469	1.1
105.01865	2.2
107.04948	100.0
107.08575	1.0
108.05271	1.3
109.02860	1.8
109.06512	0.7
110.03088	0.5
113.02359	0.9
119.08574	0.6
121.02887	1.6
121.06506	14.1
121.10178	1.0
123.04421	1.6
123.07973	0.6
127.03916	9.8
129.01784	0.5
135.04424	2.0
135.08066	1.6
137.05972	6.1
138.05481	7.4
141.01793	4.6
145.02904	0.8
145.04932	2.4
147.04413	0.9
147.08171	0.5
149.09595	0.7
153.05470	3.5
159.02853	1.0
163.03897	7.0
167.07062	1.0
167.10651	0.7
177.05502	0.7
177.12714	0.7
177.65337	0.4
179.07083	0.8
189.03992	0.8
202.06830	0.5
205.12367	0.5
209.08080	29.3
210.08424	0.8
223.13072	0.5
227.09125	14.7
231.04958	10.4
237.02789	0.7
245.08119	0.6
258.11151	0.9
258.14917	1.5
263.09125	0.6
271.52478	0.5
272.09778	0.5
359.38754	0.4
385.11246	1.1
402.15121	0.6
420.16293	5.7
421.15085	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.3519
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	1.0
57.07073	0.4
60.60853	0.3
69.35995	3.0
71.08604	0.4
83.04984	0.3
85.10168	0.5
99.00796	0.5
99.04443	2.6
111.04436	2.6
113.22800	0.3
125.05997	8.1
131.39220	0.2
141.05460	4.6
149.02353	0.3
153.05466	100.0
154.05753	1.5
160.72211	0.3
167.07043	0.5
181.08682	0.3
183.71263	0.3
204.83949	0.3
419.35187	36.8
420.35660	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.15
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56619	1.0
53.03942	4.2
55.01867	13.0
56.05008	1.0
57.03434	6.2
61.02916	4.4
63.88115	1.2
64.05233	1.0
67.05495	1.2
68.99783	2.5
69.03430	30.3
69.71280	6.8
69.75747	1.0
70.71855	1.0
71.01360	1.1
71.04992	7.7
73.02911	6.6
74.06078	1.1
78.36491	1.0
81.02929	1.2
81.03414	19.5
83.01350	1.0
85.02903	100.0
87.00833	15.6
87.04457	2.2
91.05481	5.9
93.07044	1.5
95.04961	1.5
97.02892	19.4
99.04454	15.3
101.02402	1.3
103.05468	1.0
105.01862	13.0
105.06999	1.2
107.04941	3.5
108.04432	1.0
109.02876	30.4
115.03951	0.9
117.01815	1.4
119.04929	3.4
121.06523	12.1
123.03667	1.1
123.04456	4.0
125.09666	1.0
127.03912	60.4
128.04219	1.6
128.06342	0.9
129.01860	4.9
129.07036	1.5
129.53827	1.2
135.04422	1.2
137.05981	18.7
137.09569	1.0
138.05453	1.3
145.04955	32.8
147.02907	6.8
147.03934	1.0
151.07521	2.8
153.01819	1.1
154.14754	1.1
159.02896	9.2
161.05949	3.0
163.03874	2.3
165.05505	1.4
167.06979	2.1
171.02924	1.9
175.07607	2.3
177.05455	1.7
179.07069	8.1
189.03922	4.7
199.07648	1.2
203.06964	5.1
210.05896	1.7
213.03984	4.9
217.08611	1.3
221.08127	8.4
223.13307	3.3
227.06953	1.8
231.04979	33.2
245.08110	9.3
248.07736	1.3
249.06044	16.2
256.06509	1.3
263.09137	17.4
293.62903	0.9
349.09207	2.3
367.10168	4.0
420.15988	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	419.279
Annotation	Juruenolide F
Peak:m/z	Relative Intensity
55.05500	1.2
57.03423	0.3
57.07070	0.6
58.54633	0.2
60.22330	0.2
63.28946	0.2
65.03938	0.8
67.05489	1.2
69.07066	1.7
71.08624	0.3
79.05476	0.7
81.07047	2.8
83.08599	1.1
91.05474	10.3
92.05799	0.3
93.07032	0.9
95.04984	0.3
95.08602	2.2
97.06518	0.4
97.10163	0.8
97.84238	0.2
98.21511	0.6
98.98457	4.0
107.08576	0.6
109.10131	0.8
111.11701	0.4
119.04936	22.3
120.05263	0.3
121.10165	0.5
135.11659	0.8
137.13284	0.7
147.04399	100.0
148.04729	1.8
149.02287	0.3
149.86667	0.2
151.14920	0.3
155.01028	6.1
165.05455	0.8
165.16469	0.3
247.24036	0.3
265.25336	1.7
283.09402	0.4
333.79706	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.279
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	1.2
56.13337	0.2
57.03414	0.4
57.07067	0.5
65.03917	0.7
67.05482	0.8
69.07065	1.9
71.08629	0.4
71.12786	0.6
71.13155	0.3
79.05471	0.5
81.07059	2.0
83.08605	1.7
84.99665	0.2
85.10136	0.3
85.92712	0.2
91.05477	8.5
93.07030	0.9
95.04942	0.2
95.08598	1.3
97.06504	0.3
97.10161	0.6
98.98464	3.5
106.91550	0.2
107.08586	0.5
109.10117	0.8
111.08073	0.3
111.11666	0.3
112.47424	0.2
119.04935	21.9
120.05247	0.3
121.10134	0.8
135.11681	0.7
147.04401	100.0
148.04741	1.5
149.13237	0.7
155.01033	6.3
165.05476	1.0
197.05948	0.3
247.24330	0.6
265.25262	1.6
316.68903	0.2
339.90631	0.3
419.21982	0.6
422.93649	0.3
428.90482	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.191
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04349	2.2
53.03943	4.8
55.01867	8.3
55.05507	7.1
57.03430	6.1
57.07074	19.5
59.05000	3.6
61.02918	5.2
65.20672	2.2
67.05511	4.5
68.74323	2.0
68.99782	4.9
69.03423	29.8
69.07062	6.3
69.34100	22.3
70.06583	7.1
71.01332	2.5
71.04993	26.9
73.02919	5.8
79.05497	13.1
81.03414	21.2
81.07063	22.5
83.05003	2.8
83.08620	3.3
84.16965	2.0
85.02906	57.7
85.06540	5.7
87.00830	22.9
91.05470	10.6
93.07038	26.4
95.04963	4.7
95.08604	10.1
97.02902	21.9
97.06480	10.6
98.21462	4.3
99.04457	5.4
103.83178	2.1
105.01865	19.5
105.06387	2.4
105.07015	14.1
107.04966	6.3
107.08608	26.5
109.02884	14.9
109.06516	9.3
109.10172	5.5
111.04478	3.2
115.03971	11.6
115.05494	2.1
117.07040	4.8
119.04974	3.6
119.08582	23.8
121.06474	3.9
121.10147	2.7
123.08049	2.3
127.03916	26.9
127.07558	3.0
129.01842	2.9
129.05466	2.7
129.07051	2.5
131.08562	9.9
133.06480	4.0
133.10136	3.5
135.11691	23.6
137.05965	2.8
137.13268	12.0
138.27655	2.2
143.08560	8.3
144.05690	2.7
145.04941	7.8
145.06485	2.4
145.10123	11.5
147.08061	11.5
147.11697	3.9
149.09659	2.9
151.07547	2.8
151.11165	4.2
153.12743	100.0
154.13063	4.0
155.08502	3.9
155.14279	4.0
159.02869	6.9
159.08044	4.3
163.03896	3.4
163.11156	3.6
165.12738	12.4
167.07068	7.8
171.07993	4.0
171.13835	7.4
172.34160	2.1
173.09648	12.8
175.07533	4.4
177.12791	6.9
182.73369	2.5
183.11674	2.9
186.15668	2.2
189.12659	5.1
191.10721	6.7
195.13934	3.0
197.13060	3.0
201.03949	4.4
205.12045	2.5
207.13884	3.0
209.11658	3.0
219.04951	2.5
219.13823	5.4
231.05057	6.2
243.13800	13.1
261.14905	9.2
279.15936	3.3
297.16769	2.8
315.08667	6.4
315.55447	2.3
330.11047	8.0
339.18109	2.8
347.14844	6.3
365.15979	9.0
383.17114	5.5
401.17801	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	419.1909
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.0
55.01861	1.7
56.96555	0.7
57.03438	5.6
61.02909	0.9
68.32850	0.5
69.03414	2.1
69.07053	2.4
70.06576	1.2
71.04976	1.2
71.58786	1.3
72.08150	1.1
73.02904	0.9
74.01893	0.7
74.06062	0.6
75.04482	3.0
79.05476	2.7
81.03415	1.3
82.41051	0.6
85.02905	5.4
86.03239	0.7
86.09707	2.1
91.05469	2.4
93.07027	1.1
94.04175	1.1
95.04989	1.3
97.02898	1.6
103.05466	1.9
105.07030	22.9
107.05008	3.4
109.02848	1.3
109.06504	0.7
109.10159	0.7
115.05447	0.7
116.98631	0.5
117.07037	0.7
119.04921	0.8
121.02863	6.5
121.06497	7.2
122.03632	2.0
123.04448	2.3
124.05246	1.2
127.03920	1.4
131.04976	0.7
131.08582	0.7
133.06487	51.4
134.06822	1.8
135.04367	0.8
135.08104	0.6
137.05972	100.0
138.06374	3.3
138.09134	1.9
139.03867	1.0
139.07091	1.5
145.04965	0.9
147.04417	1.0
149.05951	0.7
151.07521	0.9
161.06010	0.7
163.03902	2.4
163.07507	4.6
165.09108	34.7
166.01294	0.6
166.09500	0.8
167.07039	3.2
175.07516	2.9
175.11174	0.8
177.09117	1.4
181.08595	2.6
182.09344	3.7
183.10162	29.1
184.10461	1.8
203.10663	2.7
205.08453	0.8
209.11671	1.8
217.08549	1.3
221.11696	4.2
229.07275	2.7
239.12671	3.4
247.09717	1.0
257.07117	0.8
257.13840	33.7
258.11142	0.7
258.14093	1.4
265.07013	0.7
283.08371	1.0
315.08636	2.1
330.11115	2.5
383.14896	1.1
386.15314	1.0
401.16080	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1699
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.3
55.01860	6.6
69.03420	2.6
71.26395	5.9
79.05489	7.0
80.30327	2.4
81.07069	3.2
86.89269	2.4
91.05486	3.6
93.07028	3.1
95.04988	4.5
103.05470	5.8
105.07027	5.0
106.04144	4.1
107.04961	16.6
111.04483	3.4
115.05481	3.3
121.06581	3.1
123.04411	6.8
124.05167	2.7
125.05959	3.8
131.04924	5.7
131.08559	2.9
133.06483	5.7
141.06909	2.1
144.05693	5.0
145.06488	2.5
148.05124	2.8
149.06007	8.5
153.05479	3.6
154.06120	2.8
159.08054	6.5
161.05975	8.4
162.06354	3.5
163.03979	3.0
163.07494	6.6
167.07051	58.7
167.08421	4.8
168.07384	8.6
173.06052	4.7
177.05473	9.3
180.07750	4.6
181.04942	23.5
181.08447	2.6
182.05319	5.4
183.06572	2.9
187.07549	5.1
191.07030	19.5
193.08600	6.0
197.05872	2.3
205.08624	7.8
208.05208	10.0
209.08075	15.4
210.08765	2.7
217.08600	7.5
219.10094	5.3
236.04691	4.1
247.09671	10.0
248.08182	4.8
254.05641	6.8
263.10818	3.3
264.07895	4.0
265.08447	4.4
268.00577	3.2
268.03604	5.7
269.08096	22.1
272.06912	2.5
282.08887	4.4
287.09122	3.2
291.10141	4.9
293.08078	3.1
307.09790	5.7
315.08609	78.1
323.12723	3.4
330.10965	100.0
331.11505	8.8
339.12225	4.7
343.11807	7.8
351.12256	10.2
352.12997	3.6
356.12225	2.4
369.13354	9.0
383.14899	18.8
401.15720	11.9
419.16855	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	419.17
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75621	1.7
53.03946	1.8
54.95847	1.4
55.01881	1.6
55.05506	3.6
57.03429	1.8
59.76065	1.5
65.60468	1.4
66.17709	1.7
69.03422	2.3
69.83952	9.7
71.72826	1.4
73.02916	7.3
79.05496	8.6
81.03412	4.2
81.07032	1.8
83.04982	17.6
83.69130	1.5
85.02923	1.5
91.05491	9.8
97.02934	1.7
103.05474	2.4
105.07016	2.9
107.04953	16.5
111.04456	3.7
115.05479	2.5
117.07017	3.2
119.04929	12.6
123.04408	5.7
124.05170	3.6
125.05981	1.7
129.07016	3.4
131.08524	4.7
133.06474	2.6
137.06007	2.2
141.06946	2.1
144.05711	3.2
145.06468	8.1
147.04408	65.9
148.04793	1.8
151.03958	2.9
152.04626	3.0
153.01785	1.7
153.05516	3.2
156.05676	4.0
157.06500	2.0
159.08047	5.4
161.05939	3.5
163.03877	2.2
163.63527	1.7
167.07039	60.3
167.10938	1.6
168.07457	4.5
173.05995	9.1
181.04935	5.0
182.05298	2.3
187.07564	5.5
189.05592	1.8
190.06264	3.9
202.06190	2.6
203.07019	1.9
205.08527	12.1
207.06447	2.0
208.05182	13.8
209.08087	1.8
217.08580	15.6
219.08099	3.9
219.10118	2.8
221.06033	3.5
229.08566	3.1
231.08113	3.0
235.09637	2.0
236.04736	9.2
247.07489	5.3
247.09694	11.3
248.08385	3.4
254.05666	9.2
257.07974	2.7
262.09811	2.5
263.10626	5.7
267.06497	2.8
268.03644	2.8
269.08047	17.8
271.06125	2.6
272.06714	3.4
274.62686	1.6
275.07004	2.3
279.09982	2.5
282.05334	3.2
282.08896	6.5
287.05490	49.7
287.08765	3.8
288.05701	3.2
291.10153	4.4
293.07947	4.1
299.09213	2.7
300.06339	3.3
300.09576	1.9
301.07074	2.7
307.09628	4.6
310.08182	4.1
315.08612	74.4
319.09525	3.1
323.12762	6.1
330.10971	100.0
331.11505	8.6
336.09985	2.1
337.10620	2.1
339.12271	5.8
343.11838	6.8
351.12219	8.2
352.13074	2.6
368.12503	1.9
369.13257	6.5
383.14914	16.4
401.15833	11.2
419.16397	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	419.1698
Annotation	Magnostellin B
Peak:m/z	Relative Intensity
54.67751	2.0
55.05507	4.1
59.89670	2.0
69.03432	4.1
69.30615	6.7
69.31017	16.7
73.32272	2.0
79.05492	7.4
83.04982	20.9
91.05456	6.7
101.22712	1.9
105.07021	2.4
107.04933	16.1
111.04424	4.4
117.06963	2.7
119.04951	16.9
123.04390	3.5
124.05286	2.5
129.07083	2.1
131.08603	4.3
144.05742	3.5
145.06467	6.0
147.04404	78.2
151.03905	3.8
156.05562	2.5
159.08057	8.5
161.05934	4.3
167.07031	52.0
168.07472	5.5
173.05939	6.5
181.04982	5.4
187.07545	3.9
190.06232	3.6
205.08635	10.8
208.05246	11.9
215.06989	2.9
217.08588	16.4
231.08022	2.9
236.04684	5.5
247.07629	3.7
247.09680	12.1
248.08350	3.7
254.05788	6.2
259.07477	3.0
263.10730	3.3
268.03671	2.9
269.08093	18.6
271.09738	3.2
272.06909	2.6
277.08542	3.2
282.05276	2.9
282.08789	6.0
287.05432	7.5
290.09302	2.4
291.10257	5.3
293.07800	3.4
307.09512	4.6
308.10339	3.1
310.08286	5.2
315.08615	83.4
319.09772	2.9
323.12677	7.6
328.09424	3.8
330.10959	100.0
331.11353	5.6
337.10791	3.9
343.11752	8.3
351.12305	9.0
369.13229	6.6
383.14874	18.2
401.15915	7.0
419.16302	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.097
Annotation	Kaempferol-3-O-alpha-L-arabinoside
Peak:m/z	Relative Intensity
55.01621	0.2
55.01871	2.1
57.03437	3.4
59.04979	0.3
61.02929	0.7
65.03948	0.2
67.01841	0.1
68.99786	0.5
69.03427	1.7
70.77824	0.2
70.78160	0.2
71.01354	0.8
72.35492	0.1
73.02917	1.6
77.11200	0.1
79.05490	0.2
81.03403	0.2
85.02422	0.2
85.02905	2.4
85.03419	0.1
87.04460	0.5
93.62622	0.1
95.04974	0.2
95.08627	0.1
97.02881	0.7
102.28293	0.1
103.03922	0.3
105.03376	0.4
107.04961	0.4
109.02874	0.3
111.00816	0.8
111.04445	0.2
115.03933	1.6
119.04966	0.2
121.02867	4.3
129.07034	0.1
133.02832	0.6
133.04970	2.2
135.04401	0.3
137.02327	0.9
145.06541	0.2
147.04405	0.9
153.01828	4.2
157.06461	0.5
161.02441	0.1
161.05969	0.2
163.03891	0.1
165.01830	2.2
167.07027	0.1
171.02957	0.1
171.04390	0.3
175.03903	0.2
183.02864	0.9
185.05994	0.6
187.03880	0.2
189.05507	0.2
191.03366	0.2
197.05954	0.3
203.03349	0.3
203.07080	0.1
213.05492	1.5
216.03986	0.1
229.04987	0.2
231.06511	0.6
241.04932	0.9
243.06465	0.3
245.04523	0.1
258.05243	1.4
259.06018	0.5
269.04391	0.4
283.06000	0.4
286.04611	0.2
287.05490	100.0
288.05826	2.8
295.06079	0.2
297.07468	0.3
299.05499	4.6
300.06253	0.8
309.07642	0.2
311.05505	0.7
313.03543	0.2
313.06970	1.2
314.07693	0.1
323.05487	0.2
325.07050	1.1
327.08511	0.2
329.06543	2.8
337.07034	1.4
341.06635	0.5
353.06555	3.2
355.08063	0.2
359.07526	0.4
365.06561	1.4
383.07608	4.7
384.07867	0.2
385.20001	0.1
401.08682	1.6
419.09738	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	419.0971
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02349	0.2
54.19810	0.2
55.01871	0.7
55.05518	0.3
57.03442	2.3
61.02934	1.8
64.94606	0.2
65.03934	0.2
65.38947	0.2
67.01894	0.2
67.05495	0.3
68.99799	0.6
69.03438	1.2
69.07068	0.9
71.01343	0.5
71.04971	0.4
71.62446	0.2
71.62822	0.4
73.02915	13.8
79.05476	0.6
81.03418	1.0
81.07068	0.5
83.04975	0.7
83.08604	0.3
85.02901	2.3
87.00827	0.7
89.44586	0.2
91.05484	0.5
93.07039	1.1
95.04963	0.4
95.08591	0.8
97.02900	0.9
97.06534	1.4
99.04442	0.3
103.05450	0.2
105.01882	1.0
105.03400	0.2
105.07030	0.4
107.04272	0.4
107.04947	3.6
107.08572	2.2
109.02882	0.9
109.10166	1.1
111.00799	0.8
111.04435	0.6
115.03957	1.1
115.05505	0.2
117.06983	0.3
119.04904	0.3
119.08748	0.2
121.02855	2.5
123.04462	0.6
127.03929	1.1
131.04921	0.4
133.02879	0.4
133.05013	0.3
133.06435	0.5
135.04395	0.3
135.11696	2.4
137.02321	0.8
137.05975	0.7
144.05684	0.3
145.04814	0.3
147.04396	1.8
149.06000	0.4
151.07622	0.2
153.01833	3.9
153.12747	7.5
157.06436	0.4
159.02922	0.3
161.06015	0.4
163.03906	0.9
163.07541	0.4
165.01852	1.5
167.07065	1.5
168.07426	0.5
171.13800	1.3
177.05429	0.5
181.05008	1.0
183.02840	1.1
185.05965	0.8
209.08139	0.4
212.75322	0.3
213.05444	1.3
231.06630	0.5
233.08128	0.2
235.05847	0.2
241.04890	1.1
242.05846	0.2
251.11096	0.2
258.05179	1.1
259.05978	0.6
269.04498	0.3
277.57700	0.2
287.05493	100.0
288.05811	3.7
299.05539	0.6
300.06082	0.3
307.26590	0.2
311.05615	0.3
325.07144	0.3
329.06534	0.7
330.10867	0.4
337.06827	0.4
341.10211	0.5
353.06400	0.5
353.10269	0.4
383.07556	1.3
401.08350	0.4
402.89755	0.2
419.09564	1.1
419.15543	0.7
441.27600	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.0971
Annotation	Unknow
Peak:m/z	Relative Intensity
56.79858	0.2
57.03424	0.6
61.02919	2.0
68.99791	0.5
69.03420	0.4
70.97005	0.2
70.97333	0.3
71.01337	0.4
73.02915	12.3
73.07633	0.2
79.35500	0.2
85.02886	0.6
107.04963	0.3
109.02874	0.3
111.00790	0.8
111.04462	0.2
115.03896	0.9
115.96477	0.2
121.02856	2.3
133.02817	0.4
135.04494	0.2
137.02327	0.8
137.89635	0.2
147.04404	0.5
153.01817	3.3
157.06453	0.4
161.05959	0.3
165.01828	1.4
167.07001	0.3
183.02853	0.8
185.06018	0.6
189.05444	0.2
193.86668	0.2
213.05487	1.3
231.06537	0.6
241.04895	0.9
258.05252	0.9
259.06021	0.5
269.04318	0.2
287.05484	100.0
288.05844	3.3
292.28665	0.2
299.05353	0.2
383.07193	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.2
55.05508	2.9
57.07071	1.9
59.05001	1.0
65.03941	1.3
67.05501	2.6
69.03434	5.9
69.07066	3.3
69.45569	1.4
69.45975	7.2
79.05490	7.9
81.07072	7.1
83.04977	8.9
91.05482	5.7
93.07045	22.1
95.04977	3.6
95.08613	2.4
97.02914	2.0
97.06540	0.9
105.07036	3.2
107.08601	27.0
109.02890	7.4
109.06494	4.6
109.10150	5.5
111.04475	2.1
111.08055	1.3
113.06012	1.0
117.07055	2.4
119.08581	7.3
121.02885	1.4
121.06516	11.8
121.10160	2.6
131.08539	6.5
133.10114	3.8
135.08052	24.0
135.11696	26.2
137.05975	3.4
143.08569	2.4
144.09361	2.2
145.06464	2.9
145.10143	3.1
147.04414	2.8
149.09628	8.6
150.10403	1.7
151.11176	1.5
153.12764	2.9
157.10129	1.2
158.10944	3.9
159.08086	4.1
159.11714	11.0
161.09618	1.6
163.07523	10.4
163.11244	1.4
165.09152	1.2
168.09435	1.0
170.10948	1.7
172.08853	3.6
173.09662	8.1
173.13264	19.6
183.11708	3.3
185.13181	1.4
186.10408	6.9
187.11185	37.5
188.11609	1.6
189.09276	1.7
191.07039	6.1
193.10066	1.1
196.08932	1.0
201.11391	0.7
201.12762	29.6
203.14293	3.1
205.12225	11.5
211.11121	4.8
219.13766	7.6
229.12234	41.8
247.13304	100.0
248.13680	2.5
265.14352	2.2
291.24493	0.9
399.25296	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	417.2397
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76546	0.8
53.03934	2.0
55.01863	1.0
55.05507	8.5
56.22760	0.6
57.03432	5.5
57.07073	6.7
65.03906	2.1
66.65038	0.7
67.05501	48.9
69.06724	0.9
69.07065	12.3
70.99547	2.2
71.08624	2.8
79.05489	16.3
80.15901	0.6
81.03386	1.8
81.07052	59.7
83.04976	1.3
83.08620	8.3
85.06550	1.1
85.10160	1.0
91.05478	10.8
93.07036	16.7
95.04985	4.0
95.08604	54.5
96.08912	1.0
97.06522	4.1
97.10171	4.3
98.98462	81.5
99.08102	2.1
105.07035	7.7
107.08601	10.4
109.05688	0.8
109.06493	1.6
109.10152	25.1
111.08051	3.3
113.09618	1.7
116.99512	2.9
117.84287	0.7
119.08584	7.0
121.10132	11.0
123.08074	1.5
123.11704	12.5
125.09641	1.2
127.11235	1.5
130.21985	0.8
133.10121	7.3
135.11703	7.5
137.09645	1.4
137.13251	7.6
140.01062	1.3
141.12796	1.9
147.04338	1.0
147.11678	6.4
149.13275	7.8
151.11108	1.1
151.14804	8.4
155.01035	100.0
156.01468	1.1
161.13237	6.5
163.14806	5.0
165.16396	3.6
167.14209	1.2
173.02039	1.6
175.14842	5.1
177.16393	1.4
179.17892	1.6
189.16374	2.5
196.03769	1.1
207.17332	1.0
217.19406	1.0
245.22635	23.2
246.23065	0.9
263.23688	49.8
264.24039	2.3
314.87106	0.9
413.71411	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1752
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	7.8
53.29465	1.4
55.01865	7.7
55.05508	22.0
57.03431	4.7
61.02929	5.0
64.28692	1.4
67.05505	3.7
68.99789	4.2
69.03423	32.0
69.07095	1.4
70.06596	4.1
70.42673	6.4
71.04989	27.7
71.12983	1.5
72.08163	7.1
73.02921	4.8
79.05507	3.3
81.03416	26.5
81.07052	8.0
83.04974	36.1
85.02900	55.3
86.09717	5.5
87.00822	21.0
91.03954	1.6
91.05502	5.3
93.07061	4.7
95.04991	5.3
95.08582	1.9
97.02891	21.2
97.06544	5.0
98.21410	1.8
99.04443	10.1
105.01862	14.2
105.07052	4.5
107.04964	2.5
107.08606	6.2
109.02879	29.1
109.06535	6.6
109.10127	12.9
111.04459	2.9
113.05997	3.4
115.03922	2.0
116.07090	1.8
116.98605	1.6
117.01894	4.0
119.04941	2.1
119.08545	2.3
121.02837	2.5
121.06535	4.5
121.10146	2.3
122.75335	1.6
123.04442	2.4
123.08058	2.2
123.11736	6.5
127.03915	42.6
129.01926	2.3
133.10204	2.9
135.04396	3.6
135.08070	1.8
135.11719	2.1
136.07837	1.4
137.05983	3.1
145.04994	13.0
145.06508	1.7
147.02896	3.0
147.04419	2.0
149.05965	2.5
151.11174	100.0
153.12761	3.1
159.02879	13.5
163.03926	3.9
167.07051	2.7
169.12222	22.2
181.08389	1.7
191.07196	1.8
201.12398	1.7
213.03886	2.4
231.05038	6.0
242.26685	1.8
271.09857	5.1
272.12836	1.4
399.16425	2.0
417.17096	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1309
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96570	1.2
57.22995	0.5
67.05493	2.2
69.60580	3.8
79.05507	0.6
81.07047	1.8
89.27081	0.5
91.05474	4.7
93.07043	1.3
95.04982	0.6
95.08584	1.1
96.90600	0.5
105.07088	0.8
107.04881	0.5
107.08589	1.6
109.06500	1.0
109.10139	5.3
110.10486	0.7
119.04944	11.9
119.08588	0.8
123.11712	0.6
133.10184	0.8
135.11702	0.7
143.20018	0.5
147.04408	59.9
148.04739	2.8
151.11119	0.9
167.06989	0.9
180.31999	0.5
187.03658	1.6
190.16214	0.5
209.09421	0.5
231.10202	7.1
239.02365	1.3
253.08369	13.3
257.03287	1.7
294.10919	0.7
417.13089	100.0
418.13345	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	417.1542
Annotation	Comazaphilone C
Peak:m/z	Relative Intensity
51.44976	0.2
53.03932	0.5
55.01874	0.5
65.03943	1.9
67.05482	1.1
69.03407	0.7
70.81445	0.8
78.04700	2.8
79.05102	0.3
79.05489	2.6
81.03408	0.5
81.07052	0.3
82.04183	0.5
85.02895	1.7
91.05487	1.5
93.03365	0.5
93.07061	0.7
95.04964	1.4
97.02898	0.3
97.06512	0.7
103.05479	2.4
104.73952	0.2
105.06995	0.5
106.04191	1.4
107.04955	4.3
107.08500	0.2
108.02059	0.3
109.02888	0.4
110.03645	0.8
111.04431	0.6
115.05454	2.9
117.07007	4.9
118.04192	0.6
119.08605	0.3
121.06495	0.3
122.03609	0.5
123.04424	6.4
124.05223	2.4
125.06016	1.4
127.05422	0.7
131.04933	1.5
131.69261	0.2
133.02821	0.3
133.06490	0.4
133.10109	0.2
134.03564	0.4
135.04381	0.3
135.11693	0.4
137.05975	0.8
137.18875	0.3
138.03098	0.7
142.02600	0.7
142.46056	0.3
143.04869	0.4
145.06480	9.5
147.04385	0.4
147.08073	0.4
148.05194	0.7
151.03911	1.4
152.04694	2.2
153.05400	0.3
155.04932	0.5
155.06023	2.1
155.07062	0.3
160.10861	0.2
161.06009	0.5
163.07533	1.0
165.05476	0.4
167.07034	100.0
168.07391	1.5
171.06563	2.4
173.05984	15.4
175.07559	0.3
179.06947	0.3
181.04953	33.2
182.05342	0.7
191.07034	5.8
193.08641	0.5
195.06496	0.6
198.20767	0.2
201.05411	0.6
202.96631	0.3
205.08638	2.8
207.06526	0.5
217.08640	0.6
219.10229	0.3
221.07974	0.3
233.08066	6.6
235.09663	3.3
263.09183	0.8
295.09595	0.3
307.05859	0.3
310.36859	0.3
323.09277	0.3
329.10236	1.3
337.10736	0.3
381.13333	0.9
387.14380	14.7
388.14447	0.5
399.14401	1.5
417.15433	37.3
418.15726	1.5
433.88290	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1541
Annotation	Comazaphilone C
Peak:m/z	Relative Intensity
53.03933	0.5
55.01855	0.8
59.58143	0.3
59.64228	0.3
61.88745	0.3
65.03925	2.0
67.05489	1.0
69.03400	0.4
70.91832	0.3
70.92147	0.6
71.86419	0.3
78.04707	2.7
79.05503	2.3
81.03389	0.8
81.07005	0.5
82.04176	0.6
85.02886	1.2
91.05461	1.4
93.03372	0.6
95.04943	1.2
95.66428	0.4
97.06493	0.5
103.05468	2.9
105.03374	0.5
106.04169	1.5
107.02872	0.3
107.04944	4.0
109.06455	0.3
110.03636	0.6
111.04418	0.7
112.36641	0.3
115.05433	2.8
117.07010	5.2
118.04120	0.5
122.03673	0.5
123.04418	6.0
124.05207	2.6
125.05988	0.8
127.05415	0.6
130.04117	0.4
131.04900	2.1
134.03612	0.5
137.05914	1.1
138.03087	0.9
142.02635	0.9
143.04910	0.4
145.06471	8.9
147.08086	0.3
148.05186	1.1
151.03896	1.3
152.04698	1.9
153.05450	0.5
155.05023	0.3
155.06053	2.4
163.07492	1.8
167.07027	100.0
168.07407	1.4
171.06522	2.1
173.05972	14.9
175.07516	0.8
175.10559	0.3
181.04941	32.7
183.06526	0.3
191.07018	6.5
193.08691	0.4
195.06546	0.9
201.05348	0.8
205.08595	3.7
217.08627	0.9
221.08134	0.5
229.58379	0.3
233.08046	7.5
235.09587	4.0
244.56422	0.3
263.09164	0.5
329.10123	1.3
367.11771	0.4
381.13647	0.5
385.12613	0.4
387.14380	16.3
388.14594	0.7
399.14310	1.2
417.15408	40.5
418.15762	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.2642
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14304	1.0
55.01882	1.3
55.05502	2.5
58.06575	1.2
65.03951	2.3
67.05508	6.2
69.03429	5.2
69.07065	6.2
70.99624	2.2
71.00005	2.3
71.04991	1.8
72.26302	1.2
78.04718	2.0
79.05484	2.6
81.03416	2.8
81.07053	5.6
83.04979	4.7
83.08607	2.2
84.04530	0.9
85.02917	7.7
85.06535	1.3
86.09696	4.2
90.53413	1.0
91.05477	3.3
93.07035	4.5
95.04975	2.1
95.08601	13.3
97.02894	1.5
97.06533	1.9
99.08095	2.0
105.07031	3.4
106.04193	1.3
107.04967	4.2
107.08581	6.7
109.06529	4.7
109.10157	37.1
110.10442	1.2
111.08135	1.3
113.09637	1.1
115.05452	3.2
117.07004	6.1
119.08584	15.0
121.10132	5.0
123.04407	6.9
123.08077	5.3
123.11720	2.8
124.05206	3.2
127.03921	3.3
131.04930	2.0
133.10110	6.4
135.08076	1.2
135.11690	34.5
137.06015	2.3
137.09593	6.9
145.06461	8.3
147.11626	1.0
149.09570	1.2
149.13304	2.1
151.03960	1.2
151.11154	2.6
151.14810	4.3
152.04625	1.2
159.11729	1.6
161.05894	1.6
161.13248	2.8
167.07042	90.8
167.61343	1.1
171.06577	1.2
173.06000	12.8
173.13156	1.3
175.14836	16.1
181.04948	26.7
191.07129	1.0
193.15886	25.7
201.16513	1.3
205.08623	3.7
211.16924	100.0
217.08632	1.5
219.13841	2.2
219.17496	1.8
231.04990	1.4
233.08138	5.0
235.09657	4.0
236.20116	11.2
254.17569	1.8
254.21172	1.7
287.05518	4.5
325.10275	1.5
387.14410	13.8
398.25375	4.1
416.26328	6.1
417.15445	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	416.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.8
64.77524	0.5
65.03925	1.0
69.52702	4.0
78.04716	0.6
79.05480	1.3
81.03371	0.6
85.02895	1.2
91.05481	1.5
93.07041	3.0
95.04990	0.9
97.06528	0.6
98.53154	0.5
103.05451	1.7
105.07025	31.1
106.04188	0.6
106.07347	0.8
107.04937	1.2
115.05408	1.0
117.07011	2.0
123.04421	2.0
124.05187	1.4
131.04907	1.7
133.10126	100.0
134.10434	2.1
137.06010	1.3
145.06448	3.0
148.05165	1.1
151.03914	0.7
152.04765	0.6
155.06039	0.8
163.07568	0.6
167.07043	31.7
171.06548	0.6
173.05984	5.2
181.04962	14.2
188.27029	0.6
191.07036	3.6
191.83182	0.5
196.06795	0.7
203.07190	0.5
205.08597	1.1
233.08089	1.8
235.09659	0.9
255.06497	1.0
265.76337	0.6
387.14404	5.3
417.15439	12.1
417.20947	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.6
54.51211	0.3
55.01865	0.5
55.05492	0.8
57.03418	0.6
59.34187	0.3
59.43953	0.3
61.02924	0.5
65.03940	0.8
67.05490	0.6
69.03424	2.2
69.07055	0.7
71.04975	0.7
71.14237	0.3
71.51048	0.4
73.02922	0.6
78.04713	0.7
79.05500	2.2
81.03424	2.0
81.07047	0.8
82.45065	0.3
83.08586	0.4
85.02893	5.1
87.00813	1.6
91.05477	5.1
93.07027	1.1
95.04949	0.4
97.02884	2.9
97.06514	0.3
99.04468	0.8
103.03986	0.3
103.05447	1.1
105.01888	1.5
105.07027	22.3
106.07343	0.3
107.04939	2.2
107.08582	0.5
108.04461	0.5
109.02901	1.8
110.03643	0.4
111.04420	0.4
115.03954	0.4
115.05458	1.5
117.01852	0.3
117.07014	2.6
118.07806	1.6
119.08599	0.5
123.04429	1.6
124.05119	0.7
125.05972	0.4
127.03921	3.7
127.05428	0.3
131.04913	0.4
131.08589	1.7
133.10124	100.0
134.10448	1.4
137.05945	0.7
143.03403	0.5
145.04980	1.8
145.06497	2.3
147.02817	0.4
147.08098	0.3
147.11699	0.7
150.12764	0.7
151.03944	0.5
152.04671	0.6
159.02887	1.1
161.48647	0.3
163.07616	0.4
167.07033	21.9
171.06563	0.5
173.05959	3.1
175.11203	1.1
181.04948	10.1
181.06517	0.6
189.04042	0.4
191.07059	1.4
199.11235	0.5
217.12228	0.4
221.39857	0.3
231.04980	0.5
231.57265	0.3
233.08069	1.4
235.09602	0.8
241.12230	0.8
248.07701	0.5
266.08868	0.4
281.54755	0.3
385.12808	0.5
387.14322	3.0
399.14444	0.3
417.15427	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	415.2953
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.4
55.05508	4.9
57.02997	0.9
57.07066	1.7
61.57789	0.8
67.05503	11.0
69.07058	7.7
70.06557	1.1
70.34112	3.9
71.07370	1.5
79.05486	12.0
80.06271	1.1
81.07058	17.1
82.06571	2.3
83.08646	1.5
84.04521	0.9
87.06830	2.3
91.05471	22.6
92.06274	1.0
93.07037	27.8
94.06567	1.3
95.04948	2.8
95.08600	20.7
96.08117	1.2
97.08884	1.0
97.10163	1.6
97.22172	0.9
98.21497	1.0
100.07548	0.9
105.07027	34.0
106.07828	6.4
107.08585	22.0
108.08091	1.9
109.06519	1.3
109.10146	12.7
109.99857	0.9
110.06007	1.6
110.09682	1.6
117.07011	1.3
119.08572	28.6
121.10131	11.3
123.08073	1.2
123.11707	3.9
124.11267	0.9
125.09640	1.0
131.08481	1.4
132.08084	1.4
133.10124	18.9
135.11685	8.2
137.09578	1.1
145.10114	2.6
147.10510	1.9
147.11676	30.4
148.11241	1.6
148.12410	4.9
159.11665	1.6
161.13223	6.1
161.88820	1.0
174.12785	1.1
175.14819	2.7
176.14313	1.0
203.17941	21.9
203.70085	1.0
208.16936	3.0
216.17378	1.5
219.86014	1.0
236.39845	1.0
246.18513	2.1
272.23663	3.4
274.21606	2.4
289.23987	100.0
290.24506	5.0
369.30170	4.9
415.28323	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	416.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.2
55.01866	2.6
57.03410	3.6
58.06588	3.2
59.19729	2.0
60.04510	2.0
69.03410	7.6
70.06582	5.1
71.05001	3.8
71.58707	2.7
71.59061	2.3
72.08168	2.5
74.27449	1.7
79.05490	2.9
81.03410	3.2
83.04971	3.0
84.50251	1.9
85.02913	14.1
86.09698	3.9
91.05477	7.7
93.07026	6.8
95.04979	3.0
97.02898	5.0
103.05453	7.5
105.07036	22.2
107.04935	8.2
109.02889	4.9
115.05465	3.3
116.98622	2.3
119.04959	3.7
121.06509	21.6
123.04404	3.4
124.05204	6.3
127.03928	3.6
131.04926	2.5
131.08604	3.8
133.06512	22.7
135.04402	2.3
137.05960	7.2
147.77318	2.6
149.05107	2.2
149.06000	23.5
151.11121	3.2
159.08060	2.7
161.05983	33.5
163.07568	4.0
166.06247	4.9
167.07039	100.0
177.05528	10.2
179.06956	2.2
180.07762	6.2
181.04991	3.7
181.08588	34.2
187.07582	4.2
193.08621	37.6
195.10179	7.8
206.10208	6.9
206.11893	2.6
209.08165	3.7
211.09654	71.7
219.10179	2.8
222.11357	2.5
232.32664	2.1
232.95546	2.4
236.09178	2.8
236.12799	7.1
237.11247	22.3
243.07104	2.9
247.83392	2.3
254.10478	3.9
254.13896	45.5
416.19296	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	415.2687
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	13.2
55.01851	7.9
55.05262	4.6
55.05510	63.7
57.03418	8.8
57.07066	13.1
65.03922	6.6
67.05500	82.0
69.03427	42.6
69.07065	89.0
69.65425	10.3
69.65860	9.8
71.04993	15.5
71.08635	4.0
79.05488	39.3
81.03419	49.8
81.07052	100.0
83.04964	12.1
83.08611	52.5
85.02902	36.0
85.06516	11.8
85.10151	3.0
86.03206	2.5
91.05471	25.4
93.07032	44.3
95.04944	11.4
95.08602	95.3
97.02888	31.6
97.06530	18.2
97.10174	49.4
99.04435	14.5
99.08084	7.7
105.07020	23.2
107.04929	10.4
107.08588	33.4
109.02871	43.6
109.06511	6.4
109.10157	44.2
111.04426	10.4
111.08072	10.7
111.11733	18.0
115.07517	3.3
117.07004	4.4
119.08579	23.7
121.10133	40.4
123.08051	5.0
123.11720	14.3
125.09619	6.1
127.03915	55.6
129.05481	3.4
129.09094	3.8
131.08524	4.4
133.10123	26.9
135.11690	34.9
137.05951	10.3
137.09616	7.6
137.13235	12.0
139.11176	8.1
141.09059	4.5
143.08583	3.0
145.04933	6.5
145.06392	3.0
145.10133	3.3
147.04401	5.9
147.11670	25.5
149.09619	3.3
149.13263	11.1
151.07492	2.8
151.11176	10.7
151.14793	7.4
153.12724	11.8
157.10136	4.0
161.13277	19.1
163.03983	3.2
165.05482	12.7
165.12723	9.2
167.07028	12.1
175.07553	3.3
175.14883	7.3
179.14334	9.0
181.04938	35.1
193.19533	3.7
195.06497	10.2
217.19525	46.6
234.86330	2.8
235.20561	39.9
251.19992	4.0
253.21588	19.8
275.20016	4.2
277.21686	3.5
343.22623	4.9
361.23596	12.3
379.24820	27.6
385.12988	6.2
397.25867	20.6
415.13690	5.5
415.26889	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	415.2955
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	1.5
55.05502	4.1
56.30209	1.2
60.34890	1.0
67.05498	5.4
69.07063	7.3
70.06580	1.4
70.28516	2.4
70.28907	3.0
71.05000	1.6
79.05498	11.8
81.07060	8.3
91.05476	14.7
93.07045	65.7
94.06557	3.0
94.07827	4.5
95.04981	3.8
95.08601	8.3
105.07038	10.7
105.40445	1.0
106.06540	1.6
107.08598	35.9
108.08099	3.4
109.06508	3.6
109.10169	4.3
110.06041	3.7
117.07021	2.5
119.08572	13.3
120.08079	1.1
120.09338	1.5
120.78601	1.3
121.10139	4.2
123.11691	3.3
124.07591	1.7
131.08575	5.0
132.08105	3.1
133.10109	6.4
134.09679	1.4
135.11693	100.0
136.12068	2.0
137.09619	9.0
137.13243	1.8
143.08554	1.5
145.10098	8.9
146.09637	4.2
147.11650	2.6
148.11214	3.3
152.11969	3.5
157.10126	2.1
159.11684	3.9
160.11229	7.5
161.12001	1.6
161.13261	2.3
164.10852	1.4
166.12189	1.2
173.13216	1.3
174.12822	3.1
175.14868	2.0
178.12303	1.5
188.14371	1.6
201.16447	5.2
202.15784	2.2
206.15442	1.2
216.17479	9.0
217.18292	1.1
234.18541	75.8
235.18871	3.2
309.77771	1.0
368.29688	2.0
415.29553	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2689
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	8.1
55.01852	6.8
55.05510	63.6
56.96548	2.8
57.02295	2.4
57.03411	8.6
57.07079	10.5
61.02914	2.1
65.03924	4.5
67.05502	73.1
69.03081	3.5
69.03426	52.0
69.07064	94.2
70.92917	6.3
71.04990	18.2
71.08619	3.6
73.02905	2.7
79.05485	32.6
81.03416	49.1
81.07053	100.0
83.04988	12.1
83.08146	3.4
83.08617	59.1
83.70501	2.0
85.02425	3.6
85.02901	55.7
85.06533	12.0
87.04496	2.4
91.05471	31.6
93.07037	49.2
95.04964	10.8
95.08601	91.6
97.02888	36.1
97.06533	16.6
97.10164	53.7
98.97572	6.9
99.04448	17.6
99.08066	7.7
103.05413	3.0
105.01842	2.4
105.07019	28.5
107.04952	5.0
107.08594	32.2
109.02876	37.7
109.06507	6.5
109.09455	3.8
109.10149	45.0
111.04436	7.9
111.08067	6.7
111.11710	23.4
113.09583	5.0
116.98574	4.2
117.06998	4.2
119.08587	22.8
121.06480	4.3
121.10136	43.6
123.08041	5.1
123.11674	18.3
125.09606	5.2
125.13272	6.0
127.02947	4.2
127.03899	67.4
129.05510	2.9
129.09021	2.4
131.04898	5.5
131.08582	5.9
132.05336	2.5
133.10118	30.5
134.99602	3.8
135.11679	36.5
137.05957	9.4
137.09592	11.6
137.13245	12.2
139.11150	13.7
143.08530	3.8
145.02855	2.2
145.04955	15.4
145.05943	2.7
145.10110	7.0
147.04424	3.0
147.11694	28.7
149.13228	12.6
151.03874	2.6
151.07489	3.7
151.11169	10.5
151.14795	8.9
153.12735	8.8
157.10150	2.5
158.99667	2.7
159.11620	5.0
161.09584	4.5
161.13240	20.7
163.07553	2.9
165.12747	9.3
167.07040	4.7
171.13777	2.6
175.14816	11.8
177.00719	4.7
179.06995	2.1
179.14301	7.7
181.04935	7.6
189.16299	4.7
191.06958	3.0
191.17926	2.3
193.19463	3.5
217.12216	2.1
217.16083	2.4
217.19490	44.8
233.18823	2.7
235.20558	47.8
251.20044	3.6
253.21587	22.4
265.21536	2.9
275.20166	3.1
289.21603	3.0
319.22443	2.4
343.22601	9.2
361.23584	11.2
379.24878	36.3
397.17349	2.4
397.25870	17.4
415.13834	3.4
415.18893	2.6
415.26904	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2688
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	14.4
55.01879	4.0
55.05510	67.3
57.03421	8.1
57.07069	14.0
65.03921	5.2
67.05501	73.3
69.03429	43.0
69.07067	100.0
69.29533	2.9
70.04308	10.4
71.04994	19.0
71.08611	3.3
75.42938	2.8
79.05494	45.2
81.03414	53.6
81.06577	5.9
81.07051	99.3
83.04981	18.1
83.08617	55.4
85.02903	41.5
85.06533	12.6
91.05468	27.0
93.07039	43.0
95.04967	12.1
95.08603	91.9
97.02885	24.8
97.06531	19.0
97.10168	54.2
98.20815	5.7
99.04450	10.5
99.08095	8.8
101.05994	4.0
105.07037	22.5
107.04941	14.8
107.08590	30.5
109.02878	27.7
109.06523	6.3
109.10156	41.2
111.04443	9.4
111.08044	9.2
111.11718	21.2
117.06959	4.9
119.08576	27.3
121.06506	6.0
121.10141	37.5
123.04450	3.3
123.08089	5.2
123.11701	17.5
125.09645	9.7
125.13292	5.1
127.03918	57.3
129.07047	5.2
131.08569	7.3
133.10132	40.3
135.11684	47.1
137.05988	8.8
137.09593	9.9
137.13272	8.9
139.11186	10.5
145.04985	5.7
145.06488	3.9
145.10144	8.9
147.08044	4.3
147.11667	22.2
149.09698	4.2
149.13251	11.5
151.07491	4.3
151.11195	6.1
151.14835	11.7
153.12726	12.0
155.10637	3.8
159.11684	4.0
161.05945	3.3
161.13231	19.0
163.07510	5.2
163.14807	3.4
165.05559	3.7
165.12730	13.6
167.07043	15.1
171.08041	3.1
175.14809	8.5
179.14310	6.6
181.04909	21.3
182.15431	2.8
186.81131	2.8
189.12759	3.0
189.16362	3.7
191.17979	5.0
193.19620	4.0
194.89931	3.0
195.06522	18.4
198.03047	3.1
215.17923	4.1
217.19507	43.1
235.09631	3.4
235.20576	40.8
247.20490	3.5
251.20030	3.5
253.21617	22.9
275.20352	4.3
293.21039	3.9
295.22565	3.3
319.22870	2.9
333.11514	3.1
339.12271	2.9
343.22641	4.0
361.23712	10.2
365.13885	3.4
367.15488	5.9
370.03049	3.5
379.24738	26.3
379.68338	3.1
384.92700	3.1
385.12531	3.8
386.16956	6.4
397.16531	3.7
397.25861	15.2
398.17249	8.7
415.13873	10.5
415.26907	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	415.1427
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	1.4
56.96569	61.0
61.34503	1.2
67.05495	3.9
69.07037	1.3
69.77792	7.8
71.04996	0.9
79.05491	5.4
81.07066	7.2
91.05473	4.5
91.54825	1.0
93.07050	13.3
95.04950	1.2
95.08630	4.2
98.97580	15.7
105.07011	1.8
107.08602	17.0
109.10157	3.3
116.98621	19.9
118.96407	1.1
119.04983	1.9
119.08579	15.0
123.11707	6.7
134.99658	18.7
135.11676	7.6
135.55278	0.9
140.00237	1.3
147.04442	9.2
148.04703	2.3
153.00731	3.5
153.24936	1.0
158.01302	3.5
162.05553	1.1
169.01707	1.5
181.01736	1.3
187.02840	3.6
188.82158	1.0
191.00183	5.7
195.03314	18.9
199.02780	1.7
203.00314	4.2
209.01230	10.1
211.02786	3.5
213.04359	59.5
218.04974	2.8
221.01210	10.2
227.02214	1.6
231.05435	10.2
236.05957	5.2
239.02281	94.8
240.02640	2.9
244.02876	1.8
254.06940	1.5
257.03351	77.2
258.03729	1.8
262.03888	14.7
263.02283	100.0
264.02658	2.9
269.10638	1.2
275.04401	1.8
280.04974	13.9
281.03329	59.1
282.03653	2.1
299.04413	2.8
304.04919	27.5
305.05386	1.6
313.68875	1.3
373.13232	2.9
391.14481	1.2
397.13284	2.1
415.14301	70.6
416.14673	2.7
433.15356	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	415.1
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85286	2.3
56.96569	18.7
57.03424	6.2
57.44760	2.1
60.04524	4.7
60.57803	2.4
61.02931	3.8
69.03410	5.8
69.84994	2.4
69.85306	16.1
70.06586	2.5
71.04980	4.0
71.95261	3.2
73.02908	10.6
81.47694	2.1
84.96006	5.9
85.02902	17.7
85.07642	4.4
86.09703	4.7
87.04466	2.8
91.05885	3.3
97.02883	9.8
98.97583	41.0
99.04456	2.4
99.05563	3.4
107.04943	11.2
109.02861	3.5
110.97567	7.0
115.03925	2.4
116.98616	41.0
119.01896	2.8
119.04909	3.7
121.06491	3.4
122.06033	3.7
123.04401	2.9
127.03887	5.3
128.98595	25.3
130.92087	2.4
131.00180	3.6
134.99643	22.6
135.04317	4.1
137.05963	9.4
145.04976	3.6
146.99655	29.0
147.04379	5.7
151.07483	2.8
153.00740	3.5
158.99710	3.6
161.01204	6.2
163.03917	7.3
165.00690	6.1
167.07146	5.2
170.99675	6.5
177.00703	7.0
179.07051	3.8
189.00699	8.4
201.00732	5.0
211.02663	2.9
219.01724	32.5
226.01425	5.7
235.02725	12.9
237.00430	5.6
237.02797	100.0
237.05148	5.3
241.03813	13.3
242.03281	3.1
244.02621	4.1
253.03874	12.8
253.06279	2.8
255.03848	9.7
259.04828	6.3
260.01907	2.9
260.04468	5.8
263.04459	4.2
271.04846	4.8
281.05338	3.1
284.12378	3.6
331.55295	2.6
337.05975	10.6
344.87198	2.7
367.07040	15.8
383.09515	4.1
385.07721	13.1
397.07535	3.5
415.09518	70.8
433.10202	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	415.1013
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96559	34.2
57.03431	16.5
59.06077	1.9
61.02923	9.8
65.94600	1.6
66.97633	1.9
69.03421	18.3
69.47097	16.0
71.04976	3.9
72.08105	2.1
73.02916	32.1
78.36320	1.8
79.05461	1.9
81.03374	6.2
83.04968	3.5
84.96027	9.4
85.02898	37.4
85.07611	2.6
86.09678	3.4
87.04436	4.6
91.03885	1.7
91.05432	10.9
95.04933	3.5
96.11495	2.0
97.02882	19.4
97.96751	2.6
98.97578	97.0
99.04404	2.7
100.82458	1.7
101.01696	2.8
103.05387	2.5
107.04951	74.8
109.02852	3.9
110.97538	9.2
112.99111	2.6
115.03855	3.3
116.98612	100.0
119.01932	3.5
119.04913	16.1
121.06527	9.2
123.04408	3.5
127.03905	11.2
128.98595	27.7
131.00108	6.2
134.41818	1.7
134.99648	70.5
135.04359	4.4
136.06134	3.1
137.05975	21.2
140.00139	4.5
143.00119	4.7
145.02701	2.0
145.04893	6.4
146.99641	32.1
147.02217	11.8
147.04388	15.2
149.01170	6.2
151.07545	13.9
153.00610	5.4
157.03343	2.3
158.01207	4.8
158.99648	25.3
161.01160	11.5
161.02783	2.9
162.99057	3.2
163.03922	11.8
164.04263	2.8
165.00632	7.2
170.99591	5.5
177.00696	46.2
179.02187	3.7
179.07043	5.1
189.00655	10.0
193.03642	2.6
195.01649	6.6
195.05132	2.5
197.01093	4.4
200.02213	6.1
201.00760	4.7
207.01622	3.0
211.02698	3.7
211.99854	7.0
213.00597	2.4
213.04152	2.8
215.02106	3.7
218.99825	3.0
219.01767	36.2
219.04967	3.7
219.74031	2.0
221.04948	3.8
223.02820	2.8
226.01373	5.1
227.02235	4.4
227.06630	5.2
229.03726	3.6
230.00987	3.4
231.05232	3.0
235.02626	12.0
235.05127	7.5
237.00526	4.8
237.02791	91.8
238.01279	9.3
239.02095	2.2
241.03920	10.9
242.03302	2.6
244.04195	3.1
245.03137	5.4
250.55579	3.0
251.02155	5.6
251.06625	2.5
253.03767	19.2
255.03807	8.3
256.02414	6.7
258.04108	2.4
259.04678	3.4
260.04388	4.4
261.05875	2.3
265.03699	2.7
269.03238	20.8
271.04810	9.6
272.08035	3.8
277.03833	14.6
279.03705	2.7
280.06900	2.9
281.02982	2.3
283.04855	2.7
287.04184	5.5
290.45499	2.0
295.02008	1.9
295.04886	27.3
311.04376	14.9
313.05939	9.2
317.58884	4.2
318.06104	3.8
321.08084	5.2
337.05780	12.0
341.05154	2.6
348.06818	5.2
355.06812	7.9
367.06741	4.5
373.08163	11.3
381.10141	5.7
385.07623	3.5
397.11771	2.6
399.10791	7.4
415.09302	76.2
416.09415	3.5
433.10214	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	414.1907
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41611	0.9
56.96564	4.7
59.63902	1.0
61.32498	0.9
62.90595	0.9
69.07065	2.1
71.59485	1.9
72.02915	0.8
74.32565	1.0
79.05489	3.2
81.07048	2.1
91.05471	10.2
93.07043	2.8
95.04987	1.1
98.97598	1.5
107.08575	4.4
109.10166	1.2
116.98589	3.1
119.04945	19.3
119.08591	12.9
134.99648	3.6
135.11699	2.3
147.04408	100.0
148.04723	1.5
153.57169	0.9
213.04298	2.0
233.11736	1.8
239.02292	5.0
251.09535	1.0
257.03339	6.0
262.03824	1.3
263.02219	1.9
281.03256	1.8
299.04388	2.0
355.11920	1.2
397.12805	1.3
415.14230	4.9
433.15509	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	10.5
61.02955	3.9
69.03426	10.4
71.13480	8.1
73.02911	12.8
74.40155	3.6
85.02912	17.8
92.42896	4.4
97.02888	7.5
98.97574	8.9
107.04961	6.8
110.97587	3.8
112.99139	8.6
115.03948	4.2
119.04949	3.5
127.03870	4.5
131.00171	16.4
149.01247	12.7
163.02675	3.9
197.49409	4.2
203.38982	3.9
211.04750	5.5
212.42169	3.7
219.01767	4.1
235.04874	20.1
237.02792	4.1
247.04747	7.1
253.05994	9.4
265.06021	7.4
279.03754	4.0
296.19449	3.8
415.10010	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43959	2.1
55.05505	7.2
56.05024	8.0
56.96560	5.1
57.65227	2.1
60.04521	9.6
61.59307	2.0
65.03939	7.6
67.05504	15.2
68.99777	4.5
69.03428	14.2
69.69849	13.1
70.06590	4.0
71.05000	10.9
72.08167	4.1
77.96815	2.2
79.05482	4.4
83.04980	36.5
83.08630	3.7
84.04499	29.5
84.96018	2.3
85.02898	28.7
86.09666	2.1
89.03909	4.8
90.09173	2.5
91.05485	7.9
93.03412	11.1
95.04964	12.2
97.02914	4.1
98.21476	4.6
98.97587	4.3
102.05560	6.1
103.05460	5.0
107.04935	11.1
109.10060	2.3
111.04438	49.3
115.05446	3.7
116.07119	2.7
116.98644	3.5
117.03350	10.8
119.04973	2.5
120.08086	3.0
121.02872	7.7
121.06495	10.5
122.06043	4.2
123.04420	42.6
127.03905	2.8
129.05475	23.0
131.00209	3.1
131.04880	11.6
132.04427	3.2
133.02850	9.3
133.06496	4.8
134.06010	4.5
134.99666	3.3
135.04424	20.2
136.06195	9.7
136.07574	2.7
137.05960	7.0
139.03908	27.2
143.04904	5.1
145.02846	11.0
146.99657	4.0
148.07561	10.2
149.02293	3.7
149.05972	8.8
149.09625	3.4
150.05492	9.5
150.09059	3.0
151.03897	10.1
152.07103	6.5
153.05467	3.2
157.04965	21.1
158.06004	7.1
159.04431	3.6
160.07574	2.5
161.02443	2.8
161.05981	10.7
162.04083	6.6
162.05519	8.9
163.03899	100.0
164.04257	10.5
164.07021	5.7
165.07845	21.0
166.08638	7.4
175.06021	15.2
176.07057	42.4
177.05461	14.1
178.05008	8.0
178.08669	16.5
179.03409	23.8
180.06601	5.0
181.04971	3.2
186.05530	8.4
187.03978	6.9
194.08124	16.4
195.06528	2.7
197.04544	3.6
203.02187	3.6
203.05498	2.6
203.33774	2.7
204.06555	73.3
205.04991	18.0
222.07616	63.5
223.06067	14.5
223.07860	2.7
237.02838	7.2
240.08626	9.4
245.18924	2.8
252.12393	4.8
264.60999	2.7
276.10748	7.7
282.10175	5.8
291.03989	2.7
323.59064	3.7
350.12314	6.1
353.08667	19.4
368.13361	4.1
396.12903	48.7
397.11176	14.9
403.90570	2.4
414.13922	72.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	5.2
55.05518	17.3
56.96557	8.7
57.07080	11.9
57.82373	5.9
67.05508	20.7
68.45463	6.4
69.03416	34.5
70.15128	28.3
71.04967	6.0
79.05500	21.9
81.03407	11.8
81.07056	100.0
83.05003	11.4
83.08641	8.5
85.02908	17.4
85.06545	23.4
89.07185	6.6
91.05505	29.6
93.07049	42.4
95.04941	12.9
95.08617	21.7
97.02913	12.7
97.06548	8.9
98.21419	9.4
100.07626	10.6
100.11246	29.2
105.07037	29.6
107.08598	88.6
109.02899	7.7
109.06534	12.4
109.10165	9.1
111.04446	11.7
111.08077	32.8
113.06024	24.0
119.08624	21.6
121.06537	13.5
121.10137	28.6
123.08060	7.6
125.09680	16.2
127.03979	6.6
127.07575	22.5
131.08517	28.9
133.10164	19.3
135.04405	10.5
135.07932	6.9
137.05994	9.9
137.09685	16.6
143.08417	5.8
145.10088	33.3
147.08061	17.6
149.09645	26.7
153.09091	83.1
159.08075	6.5
163.03949	15.1
163.11263	6.4
173.13319	12.7
177.05510	11.2
182.15472	17.4
187.14851	7.6
191.14236	7.4
197.76932	6.0
208.55609	6.1
210.14925	22.5
211.15184	10.8
213.15988	6.5
215.14288	7.7
233.15331	85.2
244.20251	7.8
332.24713	21.3
332.59927	7.5
359.00687	6.5
395.78448	7.3
400.99435	7.2
413.21646	59.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2148
Annotation	Glu Lys His
Peak:m/z	Relative Intensity
50.92632	0.4
53.03942	0.5
55.01865	0.5
55.05508	0.6
57.03430	0.4
61.02925	0.4
67.05513	0.4
68.98605	0.2
69.03439	2.0
70.06592	0.4
70.94134	0.3
70.95042	0.3
71.04983	0.7
71.59700	0.3
71.60080	0.4
79.05466	0.6
81.03410	1.3
81.07038	0.7
83.04973	0.3
83.08617	0.3
84.77209	0.3
85.02905	2.9
87.00813	0.7
87.14306	0.2
91.05457	1.0
93.07039	0.8
95.04970	0.6
95.08590	0.5
97.02874	0.6
97.06540	0.3
99.04420	0.6
100.11252	0.5
105.01849	0.4
105.07002	0.7
107.08574	0.4
109.02864	0.9
109.10190	0.7
119.08594	1.1
121.06472	0.6
125.05946	0.4
127.03933	2.1
131.08531	0.4
133.10118	0.6
135.11696	0.4
137.05978	2.8
145.04893	0.6
147.04422	0.6
147.08032	0.7
159.02933	0.4
161.06006	0.5
161.18582	0.3
163.03899	0.8
164.04410	0.3
165.09100	5.8
167.07101	0.4
171.08090	0.4
173.09554	0.4
175.07549	0.5
177.05423	0.4
182.15437	0.4
187.07562	0.5
203.05284	0.9
205.12296	0.3
210.14928	0.6
231.05183	0.4
233.15176	0.4
251.16142	1.6
264.66962	0.3
293.17514	0.4
307.09708	0.3
309.21057	0.3
323.09302	0.4
324.09891	0.4
335.13120	0.3
339.12283	2.0
365.13968	0.5
381.13239	0.3
382.14044	1.1
383.14822	0.7
413.16699	3.9
413.21436	100.0
414.16586	0.5
414.21722	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	412.1751
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03944	0.4
67.05508	1.5
71.59641	0.7
73.44131	0.4
81.07078	0.4
91.05482	5.0
93.07034	1.8
107.08601	1.0
119.04948	18.5
135.11705	0.5
137.06006	0.5
147.04407	100.0
148.04762	2.6
212.71831	0.4
231.10156	37.8
232.10500	1.1
389.10889	0.4
413.13617	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	411.105
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54258	6.0
69.03422	11.7
69.50883	37.6
69.51291	9.0
71.04985	7.1
79.05500	5.9
80.38850	6.9
81.07056	5.9
85.02893	16.0
85.07676	6.2
97.02905	10.1
105.07035	9.6
113.22446	5.4
116.98627	6.0
127.03922	7.2
133.06508	6.7
136.70988	5.4
138.47115	6.0
139.11247	6.1
146.99631	12.7
147.09137	8.1
161.05997	13.7
163.03922	7.8
163.07576	12.8
167.07037	10.5
167.10631	7.0
182.09320	6.9
191.08261	9.7
196.84869	6.5
203.12825	15.2
204.13168	23.2
210.08936	19.5
213.73106	5.6
219.01753	11.8
237.02873	35.5
250.10771	9.2
325.13907	11.3
402.38165	6.0
411.10385	100.0
411.24561	7.7
420.02161	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	411.1437
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	0.1
51.66962	0.1
55.05508	0.7
55.82826	0.1
57.03416	0.1
65.03939	0.9
67.05511	0.2
69.03433	0.3
69.30480	0.3
69.30889	1.2
71.04980	0.2
79.05472	0.2
81.03416	0.3
81.07051	0.3
83.04984	3.1
83.08636	0.2
85.02911	0.7
87.00832	0.3
89.72622	0.1
91.05479	10.3
93.07034	0.3
95.04990	0.2
95.08595	0.3
97.02879	0.2
97.06562	0.2
98.97575	0.1
100.11266	0.5
105.01849	0.3
105.07013	0.2
107.04971	0.2
107.08591	0.3
109.02872	0.2
111.04471	0.1
119.04941	25.9
120.05278	0.5
126.69054	0.1
127.03886	0.5
135.04411	0.2
145.02882	0.2
145.04941	0.2
147.04405	100.0
148.04724	1.7
159.08107	0.1
163.03917	1.2
165.05466	0.7
182.15344	0.2
210.14935	0.2
247.09613	1.4
326.14877	0.1
411.09210	0.3
411.14386	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	411.1776
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84587	1.1
54.98321	0.9
68.95942	1.0
69.03408	1.5
71.62777	1.6
72.08141	3.7
77.83617	1.1
81.03403	1.3
97.02917	1.0
98.97573	2.3
116.98591	1.6
120.08112	9.5
128.98569	1.4
135.04408	2.3
135.11711	1.2
163.03896	12.6
219.14861	5.4
237.02824	1.9
276.98981	1.1
285.13760	1.8
305.99704	1.3
411.17712	100.0
412.18121	7.3
429.18311	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1988
Annotation	diflorasone
Peak:m/z	Relative Intensity
71.04961	0.4
71.62122	0.3
85.02895	0.4
100.11246	0.3
137.06041	0.3
155.42859	0.3
163.03903	1.1
166.48396	0.2
177.83817	0.2
182.15387	0.2
197.43245	0.2
203.05293	0.6
210.15083	0.3
231.13570	0.7
249.14691	0.6
260.04291	0.3
396.74457	0.2
411.19873	100.0
412.20242	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	411.1988
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03413	0.7
69.45903	0.2
70.88343	0.8
71.59158	0.3
79.05486	0.4
81.03423	0.4
85.02901	0.7
97.02879	0.3
99.04366	0.3
109.10157	0.4
117.03368	0.7
125.19997	0.3
127.03915	0.5
133.10155	0.5
135.04396	1.2
135.08099	0.4
145.02872	0.3
163.03891	6.1
175.07312	2.9
203.03375	0.6
203.05266	10.1
231.13547	5.4
249.14886	0.4
250.14700	0.3
298.84995	0.3
411.19882	100.0
412.20239	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	411.2224
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	6.4
67.05502	23.8
69.03419	6.9
69.07070	14.3
70.06600	2.6
71.04992	33.8
71.58875	2.5
79.05498	17.2
81.03403	2.3
81.07054	21.3
83.04993	3.5
83.08623	5.4
85.02906	12.2
85.06529	6.7
91.05490	6.9
92.69534	1.6
93.07038	32.1
95.04973	1.8
95.08606	18.9
97.02890	4.9
97.06522	8.2
99.08080	1.9
99.93263	1.9
105.06995	3.9
107.04939	2.7
107.08579	22.0
109.10154	12.7
111.04436	4.1
111.08098	3.3
117.07020	4.8
121.06527	2.1
121.10173	3.1
129.05476	14.7
131.08580	5.3
133.10133	6.9
135.11684	81.4
145.04921	2.3
147.04320	2.0
149.13234	8.5
153.12740	59.2
159.11623	9.6
163.03867	4.9
171.13843	7.8
177.12723	14.8
195.13785	33.7
203.05249	27.9
213.14859	69.7
214.15175	1.9
231.09964	5.3
231.15906	55.8
249.16922	9.2
329.16141	1.9
346.64664	1.8
351.13431	2.0
411.16272	100.0
412.16605	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	410.2384
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	1.6
55.05494	5.9
56.05027	5.1
57.03425	4.8
58.06598	8.7
59.04997	1.3
60.04523	2.0
61.02912	4.0
62.06068	2.0
67.05491	5.7
69.03424	9.3
69.07055	5.4
69.71922	2.5
69.72334	6.1
70.06593	35.8
71.04994	12.8
72.08125	1.4
73.02903	1.7
79.05486	6.3
80.92413	1.3
81.03407	4.0
81.07056	30.0
82.06559	2.5
83.04969	6.9
84.08134	1.6
85.02436	1.5
85.02908	24.8
85.06533	2.6
86.06049	3.5
86.09711	2.5
87.04441	1.5
88.07635	26.5
91.05476	2.8
92.51530	1.1
93.07034	4.9
94.06596	1.3
95.04975	3.3
95.08586	5.6
96.08118	6.2
97.02885	10.0
97.06535	6.8
97.10125	2.0
98.09703	10.4
99.04437	2.2
99.08090	2.9
100.07602	2.2
105.07014	3.6
106.87482	1.2
107.08598	14.1
108.08093	11.3
109.02866	3.3
109.06514	3.1
109.10181	12.6
110.09633	1.6
111.08107	1.5
112.07539	1.8
113.05998	1.6
113.09589	1.9
114.09182	1.6
115.03944	1.3
118.96159	1.2
121.10143	2.9
122.09657	5.7
123.08050	2.9
123.11707	14.5
124.11201	4.0
125.09630	5.4
126.09139	2.4
127.03912	6.6
127.11171	1.7
133.10127	4.2
137.11960	1.2
138.09109	1.5
138.12790	4.1
139.11183	12.9
141.12704	1.4
143.10646	6.7
145.04973	2.5
150.12776	7.2
151.11180	18.9
153.12756	2.9
156.13792	2.0
157.12213	3.0
164.14369	3.0
168.13898	6.8
169.12254	17.2
177.50781	1.2
182.15419	12.6
184.17009	2.6
186.14960	9.1
187.13322	3.3
194.15405	13.9
200.16484	5.6
203.05293	10.3
204.15971	4.9
212.16451	60.4
230.17505	45.2
230.19835	2.4
231.09930	2.0
248.18570	100.0
348.20261	1.2
366.21228	3.5
374.21634	3.4
392.22757	22.2
410.23804	60.7
411.16306	42.6
411.24368	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	410.2535
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96642	0.6
55.05513	1.3
56.96553	0.9
57.07073	3.6
58.06572	1.1
58.19765	0.6
65.03934	1.6
67.05494	1.1
69.03415	1.1
69.07064	1.1
70.06590	16.8
71.04990	2.0
71.08630	3.6
71.59914	1.0
78.51272	0.5
79.05492	1.5
81.03414	1.4
81.07062	2.6
82.97794	0.6
83.04979	1.2
85.02903	2.2
88.07629	17.9
91.05474	3.4
93.07008	0.7
95.04976	1.5
95.08623	0.8
100.11254	1.2
102.09185	14.0
105.07016	1.0
107.08598	1.1
109.02940	0.6
109.06535	1.7
109.10152	1.2
119.04939	5.4
119.08588	2.1
121.02835	1.1
121.10175	0.7
133.10129	1.0
133.65027	0.6
135.04391	1.3
137.05945	2.0
139.03900	1.3
147.03217	0.9
147.04407	19.8
149.02341	52.1
149.03398	2.8
150.02689	1.8
151.07535	2.0
159.07970	0.8
161.09711	0.9
163.03874	5.8
167.06999	0.7
193.04961	54.5
194.05318	1.3
200.20087	51.8
201.20422	2.0
203.10809	0.9
212.10764	1.2
217.12056	0.9
219.01573	0.6
237.07561	70.4
238.07979	2.6
244.22775	1.5
245.11766	2.2
251.06982	0.8
258.04745	1.4
258.11234	1.6
326.15015	0.8
393.12897	1.1
394.90158	0.7
410.25363	100.0
411.14307	1.5
411.25882	5.9
434.82971	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	7.1
56.05020	5.9
57.03440	2.9
58.06595	11.0
60.04530	2.6
60.08153	3.8
61.02907	3.8
61.14033	1.6
65.03954	2.0
67.05495	7.3
69.03412	9.1
69.07056	10.8
69.72493	13.0
70.06590	45.0
71.04984	20.1
71.73434	1.6
72.08141	3.3
75.97845	1.7
79.05473	10.2
81.03402	4.1
81.07051	51.2
82.06567	5.2
83.04974	7.5
83.08616	3.2
84.08150	3.9
85.02905	21.8
85.06531	3.5
87.04480	3.1
88.07623	43.6
91.05483	20.5
93.07057	9.3
95.04963	6.8
95.08593	7.8
96.08119	13.9
97.02869	6.5
97.06526	7.5
97.10191	3.1
98.09680	16.6
98.97585	3.0
99.04435	2.8
99.08070	4.3
100.07617	5.3
103.05454	1.8
105.07030	5.1
107.08591	18.8
108.08105	17.8
109.02894	2.4
109.06501	8.2
109.10153	18.4
110.09679	4.0
111.08070	2.9
112.07608	2.4
113.09639	1.9
114.09209	2.0
114.32395	2.1
116.98620	3.4
120.08072	2.4
121.06530	1.8
121.10151	7.0
122.09657	13.8
123.08046	3.4
123.10495	2.0
123.10737	2.4
123.11695	24.9
124.11240	11.7
125.09618	10.9
126.09177	2.5
127.03921	4.8
127.11186	2.4
131.04950	3.8
133.10100	3.5
135.11655	3.7
137.09631	2.4
138.12794	7.0
139.11200	14.5
140.10670	2.6
143.10689	17.7
145.04951	2.6
147.04398	2.0
147.09087	2.3
150.12778	7.4
151.11166	23.9
153.12785	4.1
156.13855	2.2
157.12314	2.6
158.52937	1.9
158.99576	2.3
164.14426	2.3
167.10660	2.1
168.13828	6.7
169.12227	23.6
177.00694	1.9
182.15387	19.1
184.16982	3.9
186.14803	8.4
187.13324	5.1
191.79721	1.9
194.15408	15.6
200.16504	3.1
204.08472	1.6
204.15973	8.1
212.16451	100.0
213.16721	2.7
230.17508	42.7
237.02844	4.0
248.18567	80.5
256.82526	1.8
279.03790	3.1
325.13852	1.9
325.94635	1.7
326.09305	3.8
354.92654	1.9
362.21841	2.2
392.22684	6.3
402.15094	1.9
410.23816	82.7
410.65402	2.1
411.16168	6.9
411.24399	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	410.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	5.6
56.05032	3.6
56.96540	1.8
57.03424	3.0
58.06602	10.8
58.36634	1.7
59.04983	2.3
59.06096	2.0
60.04523	2.5
61.02930	2.2
62.06061	1.7
67.05487	6.1
69.03429	9.4
69.07064	7.5
70.06251	2.3
70.06594	33.9
71.04989	20.1
71.58764	2.5
72.08147	4.0
73.02907	3.2
79.05495	9.1
81.03411	4.2
81.07051	41.9
82.06561	2.9
83.04984	6.3
83.08608	3.7
84.08131	3.5
84.73048	1.7
85.02909	23.3
85.06538	2.6
86.06063	2.5
86.09701	5.1
87.04491	2.2
88.07632	37.4
91.05475	15.8
93.07043	9.0
94.82600	1.7
95.04943	5.1
95.08594	5.3
96.08112	12.0
97.02898	7.0
97.06543	4.3
97.10165	2.4
98.09702	12.1
98.97587	4.7
99.04481	1.9
99.08082	3.9
100.07601	7.4
103.05433	2.9
103.53255	1.6
105.07046	5.6
107.04947	2.6
107.08597	21.0
108.08100	15.5
109.02883	2.0
109.06519	5.8
109.10170	15.5
110.09698	2.1
111.11676	1.8
112.07619	1.7
113.09595	2.3
116.98584	1.8
120.08232	1.6
121.06483	2.5
121.10136	7.2
122.09658	15.6
123.08073	2.1
123.11684	18.6
124.11213	11.2
125.09602	12.8
126.09126	3.4
127.03886	4.0
127.11215	2.3
131.04913	8.3
133.10115	4.9
135.11670	2.9
135.51193	1.7
138.12773	5.5
139.11197	14.9
139.32291	1.7
140.10678	2.2
141.12729	2.1
143.10690	18.4
145.04930	2.2
147.09187	3.1
148.05226	2.6
150.12785	6.7
151.11192	21.7
153.12735	10.0
157.12283	2.6
158.99721	1.9
163.03894	2.0
163.07533	3.1
164.14368	2.8
167.10690	3.5
168.13835	5.8
169.12230	22.1
182.15410	17.0
184.17039	3.6
186.14919	10.4
187.13367	11.1
191.08180	2.3
194.15366	15.2
200.16483	4.7
204.15926	8.0
212.16454	100.0
219.01738	2.4
228.06532	5.6
230.17506	55.9
237.02888	2.5
237.07021	2.0
248.18567	75.4
269.03561	2.1
297.38187	1.9
305.15857	3.1
319.89575	1.8
325.14066	3.8
329.12790	1.7
330.13022	2.0
351.13293	1.9
366.21057	1.9
392.22961	12.5
401.14554	3.2
410.23849	92.3
411.12479	4.9
411.16849	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	409.3312
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	8.9
57.07077	100.0
67.05504	4.7
69.07066	10.2
70.77920	5.8
71.08635	98.3
73.06563	2.5
79.05493	5.2
81.07053	7.0
83.08620	8.2
85.10181	48.0
86.99056	2.4
91.05477	7.4
93.07045	10.2
95.08609	5.4
97.10175	3.8
99.11752	6.7
105.07033	8.9
107.08586	11.9
109.06487	3.7
109.10151	5.2
113.13275	3.3
117.07021	4.5
119.08590	8.6
121.10155	8.9
121.85067	2.2
127.14797	3.2
131.08571	7.1
131.09535	1.9
133.10146	4.1
135.08061	8.1
135.11713	2.5
137.05978	4.0
137.09631	2.9
139.07571	2.5
145.10143	5.0
147.08006	3.8
147.11746	3.7
149.05981	6.9
149.09619	6.1
151.07547	43.4
153.26730	2.5
159.11674	3.1
162.72176	2.3
163.07578	22.7
163.11147	3.1
165.09114	38.9
173.09599	3.9
177.09108	33.3
177.12767	2.7
179.10678	16.2
181.08601	5.4
187.11195	7.2
187.14862	2.4
191.09175	2.6
191.10658	14.9
193.12190	6.1
195.10184	5.2
201.12816	5.3
205.12254	7.8
207.13846	2.4
209.11752	2.4
215.14398	4.4
219.13873	9.1
223.13518	3.3
229.15881	4.5
233.15417	5.2
237.14972	3.7
243.17453	3.5
247.16914	5.8
251.16396	6.1
261.18491	5.6
265.18002	5.8
275.19989	3.1
279.19641	2.8
289.21640	3.4
293.21140	3.8
303.23337	3.0
304.38995	2.5
321.08429	2.6
369.60303	2.5
373.30853	3.1
409.33478	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.4
54.09195	3.6
55.05512	25.0
57.03440	7.4
57.07067	8.5
59.05004	4.5
61.26445	3.5
66.91968	3.5
67.05505	22.7
69.03414	7.4
69.07080	15.9
69.24435	3.0
70.31506	13.6
73.16952	2.9
79.05496	26.9
81.07058	44.2
83.08622	5.4
85.06059	3.1
85.06518	6.1
89.12638	3.1
91.05489	36.8
92.37967	3.0
93.07041	54.4
95.04967	48.0
95.08612	31.3
97.06519	9.0
97.10201	5.6
98.98463	37.7
105.07029	100.0
107.08597	27.6
109.06538	10.3
109.10133	9.9
117.07013	15.2
119.04910	3.7
119.08569	63.6
121.06509	11.8
121.10130	16.6
123.08038	17.0
128.06224	4.9
129.07027	11.4
130.07751	5.1
131.08571	20.8
133.06528	5.7
133.10114	24.1
135.08026	16.6
135.11684	8.0
137.06004	3.2
137.09630	7.1
137.13235	5.0
141.06964	3.7
141.95647	3.2
142.07751	5.2
143.08548	13.8
145.10126	38.3
147.08083	18.3
147.09277	3.2
147.11690	37.0
149.09622	14.5
149.13275	4.2
151.07509	17.9
155.01021	33.9
155.08578	8.8
156.09351	7.2
157.10078	22.3
159.08043	7.8
159.11656	15.5
159.60222	3.5
161.09676	9.0
161.13240	7.9
163.11107	5.5
165.06984	5.6
165.09114	26.7
169.10120	8.1
171.11723	10.0
173.09654	6.5
173.13261	8.1
175.11200	29.5
178.75471	3.4
181.10187	6.4
182.10883	3.9
183.11636	7.8
185.09601	3.8
185.13231	4.2
187.11255	5.3
189.12720	9.6
195.11691	4.2
197.13185	4.4
199.11176	4.2
199.14705	4.2
201.12735	11.6
203.14386	8.7
207.13799	11.3
209.13370	4.1
211.14720	5.5
215.14330	5.2
221.15369	79.2
223.14821	4.3
229.15860	6.9
233.15598	3.6
234.16121	19.0
253.15755	3.3
257.04263	5.4
286.94128	3.4
287.19891	8.0
300.20859	4.2
311.25781	15.9
329.21063	4.7
348.25113	3.2
391.26212	7.4
409.27298	50.9
409.32306	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	409.2736
Annotation	10'-Apoviolaxanthal
Peak:m/z	Relative Intensity
50.53622	1.6
53.03938	4.9
55.01862	1.9
55.05518	19.5
56.50589	1.7
57.03435	2.4
57.07066	7.6
57.72620	1.7
59.04998	3.7
67.05506	22.6
69.03427	7.4
69.07069	10.9
69.51935	8.2
69.52364	7.1
71.04992	2.1
79.05497	24.9
81.07059	38.5
83.04974	6.8
85.06554	5.0
91.05481	43.8
93.07047	58.6
95.04973	54.0
95.08611	29.6
97.06529	7.1
103.05454	4.5
105.07034	100.0
107.04975	9.3
107.08596	27.5
109.06503	12.8
109.10161	16.7
111.08092	3.8
115.05460	3.1
116.06212	1.7
117.07037	15.2
119.04996	2.0
119.08587	70.0
121.06515	20.5
121.10166	15.1
123.08078	18.5
123.11722	2.4
128.06206	5.2
129.07013	7.2
130.07780	5.2
131.08577	24.3
133.06503	5.6
133.10129	16.4
135.08052	17.2
135.11720	3.6
137.05998	2.0
137.09624	9.7
141.06998	4.0
142.07759	13.4
143.08556	17.8
144.09338	5.2
145.06564	2.8
145.10138	31.1
147.08080	19.6
147.11699	41.2
149.09607	9.4
151.07558	21.3
153.06905	3.3
153.09029	3.5
155.00989	2.7
155.08549	8.3
156.09341	7.5
157.10146	18.3
158.10905	3.0
159.04367	3.1
159.08067	5.3
159.11681	14.4
161.09634	8.9
161.13277	6.2
163.11221	6.0
165.07016	2.4
165.09117	34.7
167.08606	4.2
168.09344	4.3
169.10149	10.0
170.10939	2.5
171.08009	2.4
171.11722	9.1
171.92824	1.8
173.09613	7.0
173.13281	6.9
174.10327	2.6
175.11197	30.8
177.05475	2.6
177.09097	4.2
178.09944	2.4
179.10658	1.9
181.10158	6.3
181.12195	3.4
182.10999	2.7
183.11667	9.4
185.13300	6.8
187.11153	3.7
187.14775	2.0
189.12717	7.6
191.14287	3.0
193.10132	2.8
194.10788	2.1
195.11676	5.2
196.12521	3.7
197.13339	4.4
199.11172	4.9
201.12685	10.5
201.16418	2.0
203.14339	12.3
207.12035	2.3
207.13837	10.0
208.12393	2.5
209.13297	2.4
209.15523	2.5
211.14795	4.2
213.12791	3.3
216.15163	2.4
219.13742	4.6
221.15372	87.0
222.15663	4.3
223.14841	2.4
225.12825	1.8
229.15866	7.0
231.13681	4.0
234.16141	14.6
239.10614	5.6
239.14415	2.7
241.15799	1.9
243.13707	2.6
253.15903	2.8
253.43552	1.8
257.04379	2.4
257.11749	4.3
267.17450	2.3
269.19077	2.7
287.20035	8.3
299.20090	2.1
300.20859	5.0
312.85257	2.1
329.21109	7.2
391.26099	9.9
392.31775	3.6
409.27414	68.4
410.27679	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	409.2197
Annotation	Ser Phe Arg
Peak:m/z	Relative Intensity
56.89689	0.6
56.96581	0.7
59.55478	0.6
64.78611	0.6
67.05501	0.7
69.07056	1.4
71.60484	0.7
79.05493	1.1
81.07037	2.0
93.07030	1.5
94.18835	0.8
105.07041	1.5
107.08601	1.6
123.04471	0.8
125.09669	0.8
133.10118	0.8
147.04436	1.6
149.02376	0.8
149.09593	0.6
149.58189	0.6
160.41971	0.6
163.03876	0.9
167.33290	0.7
229.04971	1.2
244.21080	0.8
257.04471	6.6
258.05042	1.3
273.73590	0.6
308.05878	0.7
353.17859	0.8
409.09924	5.5
409.21957	100.0
410.22220	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	409.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53622	1.6
53.03938	4.9
55.01862	1.9
55.05518	19.5
56.50589	1.7
57.03435	2.4
57.07066	7.6
57.72620	1.7
59.04998	3.7
67.05506	22.6
69.03427	7.4
69.07069	10.9
69.51935	8.2
69.52364	7.1
71.04992	2.1
79.05497	24.9
81.07059	38.5
83.04974	6.8
85.06554	5.0
91.05481	43.8
93.07047	58.6
95.04973	54.0
95.08611	29.6
97.06529	7.1
103.05454	4.5
105.07034	100.0
107.04975	9.3
107.08596	27.5
109.06503	12.8
109.10161	16.7
111.08092	3.8
115.05460	3.1
116.06212	1.7
117.07037	15.2
119.04996	2.0
119.08587	70.0
121.06515	20.5
121.10166	15.1
123.08078	18.5
123.11722	2.4
128.06206	5.2
129.07013	7.2
130.07780	5.2
131.08577	24.3
133.06503	5.6
133.10129	16.4
135.08052	17.2
135.11720	3.6
137.05998	2.0
137.09624	9.7
141.06998	4.0
142.07759	13.4
143.08556	17.8
144.09338	5.2
145.06564	2.8
145.10138	31.1
147.08080	19.6
147.11699	41.2
149.09607	9.4
151.07558	21.3
153.06905	3.3
153.09029	3.5
155.00989	2.7
155.08549	8.3
156.09341	7.5
157.10146	18.3
158.10905	3.0
159.04367	3.1
159.08067	5.3
159.11681	14.4
161.09634	8.9
161.13277	6.2
163.11221	6.0
165.07016	2.4
165.09117	34.7
167.08606	4.2
168.09344	4.3
169.10149	10.0
170.10939	2.5
171.08009	2.4
171.11722	9.1
171.92824	1.8
173.09613	7.0
173.13281	6.9
174.10327	2.6
175.11197	30.8
177.05475	2.6
177.09097	4.2
178.09944	2.4
179.10658	1.9
181.10158	6.3
181.12195	3.4
182.10999	2.7
183.11667	9.4
185.13300	6.8
187.11153	3.7
187.14775	2.0
189.12717	7.6
191.14287	3.0
193.10132	2.8
194.10788	2.1
195.11676	5.2
196.12521	3.7
197.13339	4.4
199.11172	4.9
201.12685	10.5
201.16418	2.0
203.14339	12.3
207.12035	2.3
207.13837	10.0
208.12393	2.5
209.13297	2.4
209.15523	2.5
211.14795	4.2
213.12791	3.3
216.15163	2.4
219.13742	4.6
221.15372	87.0
222.15663	4.3
223.14841	2.4
225.12825	1.8
229.15866	7.0
231.13681	4.0
234.16141	14.6
239.10614	5.6
239.14415	2.7
241.15799	1.9
243.13707	2.6
253.15903	2.8
253.43552	1.8
257.04379	2.4
257.11749	4.3
267.17450	2.3
269.19077	2.7
287.20035	8.3
299.20090	2.1
300.20859	5.0
312.85257	2.1
329.21109	7.2
391.26099	9.9
392.31775	3.6
409.27414	68.4
410.27679	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	409.0535
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96553	8.6
57.03441	4.4
59.15772	4.8
61.02937	4.0
69.03417	8.4
71.05003	6.0
71.58242	6.2
73.02913	9.0
81.03402	4.4
85.02911	20.8
85.80727	3.6
86.43173	3.8
97.02911	8.3
98.97572	7.3
112.99142	11.4
116.98614	8.8
119.01905	26.2
119.04947	6.4
121.06499	3.8
123.50755	3.6
127.03899	6.9
128.98615	5.4
131.00204	28.5
131.01883	9.2
133.03487	7.9
133.89053	3.5
137.02933	4.2
138.98827	3.7
143.01926	10.5
145.03461	29.3
147.03290	6.0
149.01204	10.0
154.94194	5.4
155.01862	5.3
157.03476	8.2
161.02908	23.1
163.04004	12.0
164.90332	4.6
165.02316	3.8
169.03493	11.0
170.99599	5.3
171.05014	12.5
172.95262	21.3
173.02989	18.7
175.04552	12.0
178.05049	6.2
185.02992	5.5
187.04510	21.0
189.00790	6.2
190.96294	14.9
191.04050	6.0
197.03120	6.5
203.04044	10.7
209.75502	3.9
211.04625	10.5
215.03923	4.9
217.01958	10.0
217.05554	4.5
219.07236	5.3
223.04785	4.4
229.05594	5.1
232.03546	4.5
237.02713	5.9
245.04939	5.6
247.06714	5.0
271.58362	3.8
273.00433	45.7
275.06219	10.1
287.05609	4.2
289.04062	11.2
289.07559	7.4
291.01508	50.7
303.09177	12.5
305.06842	4.9
307.05048	14.4
314.03052	7.7
319.05151	8.6
321.10297	14.5
323.09982	3.8
347.08032	9.2
365.12457	24.4
365.15903	5.5
391.06631	5.3
391.11087	7.3
409.11249	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.2592
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.4
55.05507	1.2
57.03437	0.7
59.04995	0.4
61.02922	0.5
67.05505	2.0
69.07052	2.9
70.68868	0.7
70.69260	0.8
71.05001	2.7
77.41788	0.3
79.05503	1.0
81.07059	2.7
83.04957	0.7
85.02895	1.4
85.06537	9.0
91.05467	1.2
91.21865	0.3
93.07046	5.4
95.08607	5.6
97.02872	0.6
97.06531	0.7
99.08090	5.0
105.06998	1.0
107.08588	7.8
109.10150	15.3
110.10470	0.4
110.65370	0.3
111.08098	0.6
113.06017	1.5
113.09660	0.3
115.43948	0.3
119.08585	3.8
120.05327	0.6
121.10137	2.3
123.11707	2.5
125.09608	0.6
127.11172	1.5
133.10115	3.5
135.11687	22.8
136.12019	1.0
137.05948	1.7
137.09608	0.6
138.06282	1.5
139.11176	0.5
147.04419	0.7
147.11685	0.9
148.42963	0.4
149.13278	5.8
151.07561	0.9
151.14803	1.5
152.07901	0.7
153.12744	13.4
161.05988	0.7
167.07068	1.1
167.14319	1.3
175.14821	8.5
181.08591	1.0
190.09573	0.4
193.16008	2.0
211.16924	100.0
212.17252	3.7
229.04982	1.1
247.13219	0.8
257.04419	3.7
287.05389	0.6
347.89865	0.4
409.09167	3.2
409.18311	35.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1834
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	0.2
55.05537	0.2
57.43521	0.2
67.05477	0.3
69.07086	0.2
69.52536	1.4
71.01930	0.2
71.04987	0.4
81.03443	0.2
81.07060	0.4
85.02902	0.5
85.06535	0.9
86.06868	0.3
91.05486	0.4
92.05827	0.2
93.07043	0.5
94.07367	0.3
95.08596	0.5
95.91845	0.2
96.08949	0.2
99.08070	0.3
107.08585	0.7
109.10155	1.2
109.48346	0.2
110.10484	0.8
119.04942	0.5
119.08515	0.3
120.08901	0.3
123.04404	0.8
124.12055	0.2
133.10126	0.3
134.10429	0.2
135.11681	1.3
136.12006	1.6
137.05934	0.4
138.06261	0.3
147.04364	0.9
149.05977	0.3
149.13306	0.3
150.13551	0.6
153.12718	1.0
154.13086	1.2
161.05878	0.3
163.03867	0.3
167.07065	0.3
175.14784	0.3
176.15141	0.5
177.05254	0.2
182.08920	0.3
201.05496	0.5
203.03314	0.3
203.05211	0.4
211.11899	0.2
211.16936	3.6
212.17276	7.3
229.04990	2.6
230.05649	0.4
245.04524	0.8
247.13040	2.7
257.04453	11.3
258.05026	1.4
271.05902	0.2
274.25558	0.2
287.05487	1.5
315.04739	0.2
385.10388	0.2
409.09219	8.4
409.18301	100.0
410.09552	0.6
410.18585	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	408.2591
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66898	0.3
55.01870	1.0
55.05498	1.4
57.03423	0.5
59.04981	0.6
67.05494	1.8
69.03413	0.9
69.07061	4.0
69.84035	1.6
71.04996	3.4
79.05478	0.7
81.07052	2.9
83.04958	0.5
83.08656	0.5
85.02878	1.5
85.06538	9.5
91.05479	1.5
93.07037	6.1
95.04932	0.4
95.08595	5.1
96.08959	0.3
97.02892	0.6
97.06506	0.6
98.20750	0.7
99.08085	5.2
105.07023	1.3
107.04979	0.6
107.08590	9.4
109.10149	16.3
110.10506	0.5
111.08040	0.9
111.11646	0.3
113.05995	1.4
119.04928	0.3
119.08569	4.7
121.10113	2.1
123.11678	3.3
127.11189	1.7
133.10133	3.7
135.11687	23.6
136.11974	0.6
137.05957	1.5
137.09613	0.9
138.06314	0.9
139.11107	0.7
147.04391	0.7
147.11661	1.1
149.13243	6.0
151.07506	0.5
151.11147	0.8
151.14850	1.9
153.11499	0.8
153.12743	15.5
165.12817	0.4
167.07062	0.5
167.14310	1.3
175.14815	9.3
182.08940	0.6
184.04820	0.3
185.62759	0.3
193.15874	2.0
201.05551	0.4
211.16920	100.0
212.17255	4.8
229.05028	1.1
247.13055	0.7
257.04431	4.2
287.05429	0.4
333.78397	0.4
344.49854	0.3
409.10184	2.9
409.18295	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	408.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96548	0.8
57.03426	1.3
61.02914	1.5
61.33032	0.5
62.06084	1.6
69.03411	1.9
69.07060	0.6
69.91354	0.5
70.06573	1.1
70.32498	0.5
71.04984	1.7
71.61343	1.1
73.02912	1.7
77.12814	0.5
78.04689	0.7
81.03400	0.9
81.07085	0.8
84.08095	0.6
85.02901	6.7
86.09705	0.6
91.05467	1.7
93.07043	2.1
95.04981	1.2
95.08597	0.6
97.02876	1.3
97.06509	0.7
98.97562	1.7
103.05472	0.9
105.07019	0.6
107.04947	2.6
107.08591	0.9
108.73985	0.5
109.02881	0.9
109.06543	0.6
109.10153	0.6
110.56441	0.5
116.98615	1.0
119.04913	0.6
121.06499	5.4
121.07285	0.7
123.04446	2.6
124.05241	0.8
127.03921	1.6
127.35993	0.5
129.05423	0.5
131.04916	0.8
133.06480	0.7
135.05286	0.5
137.05974	4.0
145.04942	1.1
149.05974	1.7
149.09615	1.6
151.03938	0.7
152.04724	0.7
160.04294	1.7
161.05940	0.6
165.05493	3.7
167.07036	100.0
168.07358	1.9
179.07068	0.7
181.08563	2.8
185.11623	0.6
193.08615	4.3
203.12743	1.3
211.09647	15.9
229.10709	15.1
237.02792	1.0
238.68547	0.6
246.17001	1.1
253.09067	0.6
257.04541	1.0
287.09988	0.6
339.07220	1.0
357.08463	1.1
408.09686	1.7
409.10922	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	408.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	5.2
57.03444	1.9
59.04995	1.9
60.04523	12.9
61.02932	1.6
67.05495	3.0
69.03425	5.7
69.07069	4.3
71.05000	7.0
71.59490	2.5
72.08146	1.3
78.41508	1.4
79.05484	5.4
81.03429	1.8
81.07063	9.7
83.04954	7.4
85.02898	8.9
86.09704	2.0
88.33279	1.4
91.05458	2.9
93.07047	4.4
95.04962	5.4
95.08589	7.5
97.02877	2.2
97.06530	5.5
105.07030	4.0
106.04176	1.2
107.04956	2.2
107.08593	20.9
109.02848	1.4
109.06513	2.1
109.10162	15.8
119.04980	2.2
119.08524	1.7
121.06504	3.4
121.10155	10.9
123.08076	8.9
123.11726	3.1
123.80105	1.1
125.09636	14.3
127.03899	2.5
131.47331	1.4
133.10118	1.9
137.06001	7.1
137.09618	10.0
138.06355	3.9
139.11176	17.2
146.67363	1.3
149.09616	3.1
151.07523	2.6
151.11176	3.9
155.10654	9.9
157.12245	2.6
161.05992	1.3
167.07045	5.3
167.10674	43.7
167.12088	2.6
168.11050	2.1
181.08597	1.8
185.11725	30.4
203.12773	100.0
204.13194	2.3
206.76289	1.2
211.09654	1.6
219.17250	1.1
228.15891	1.3
246.17038	1.5
271.04312	2.3
290.82507	1.3
307.88943	1.3
317.58878	1.6
323.10883	1.7
365.12177	3.7
408.22357	3.2
409.11084	28.2
434.68088	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96577	0.5
57.03440	0.5
60.04510	1.9
61.02900	0.4
62.06087	7.3
64.06374	0.5
69.03413	2.0
70.06564	0.9
71.04982	1.2
71.58718	0.6
73.02930	0.5
78.04693	0.6
79.05476	1.1
79.84784	0.5
81.03409	0.6
84.08084	0.5
85.02907	6.1
86.09704	0.6
91.05466	1.2
93.07030	1.4
93.52524	0.4
95.04952	0.5
97.02892	1.6
97.04185	0.4
99.04436	0.8
103.05436	1.2
105.07032	1.0
107.04947	1.6
107.08582	1.7
109.02914	0.5
109.06506	0.6
109.68470	0.4
111.04402	0.5
113.97304	0.5
116.06978	0.4
119.04958	0.5
121.06522	3.6
121.10153	0.6
123.04424	2.5
123.11705	0.5
124.05222	1.1
126.63112	0.4
127.03889	0.9
131.04933	0.9
131.08553	1.1
133.06491	1.0
135.04375	0.8
137.05965	3.9
147.04391	0.8
149.05991	2.2
149.09621	1.3
151.03885	1.1
151.11140	0.5
152.04712	0.6
161.06010	0.9
163.03926	1.1
165.05478	2.7
166.06276	0.4
167.07033	100.0
167.10689	1.7
168.07364	1.6
179.07060	0.6
181.08569	3.4
185.11807	0.6
193.08530	3.4
197.08133	0.6
211.09645	16.0
228.15851	0.7
229.10698	14.6
231.06857	0.5
246.16977	0.5
257.04553	0.7
287.05533	0.9
319.11267	0.9
365.11960	0.5
384.06369	0.4
408.09348	0.6
408.16672	1.0
408.22122	1.7
409.09515	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1886
Annotation	Pro Gln Tyr
Peak:m/z	Relative Intensity
56.96558	1.0
57.03428	0.5
61.02919	0.5
69.03419	2.1
71.04981	0.6
71.60748	0.5
73.02905	2.1
81.03418	0.8
84.96071	0.5
85.02901	3.5
89.03880	0.4
95.04957	0.5
95.08613	0.5
97.02868	1.5
98.97567	1.6
107.04971	2.3
109.02882	0.6
111.04409	0.4
112.07610	0.5
116.98611	1.1
118.73067	0.3
119.01915	0.6
119.04935	0.6
121.06496	1.1
123.04399	0.7
127.03902	1.0
128.98596	0.6
130.08629	0.7
131.00137	0.4
133.03455	0.7
134.99721	0.8
135.04436	0.5
137.05994	0.8
137.12952	0.5
143.00121	0.4
145.03476	0.6
145.05000	0.4
146.99666	0.7
147.04384	0.4
153.05359	0.4
158.99635	1.0
163.03928	1.2
167.07060	0.8
177.00743	1.0
189.00708	0.4
201.09779	0.7
203.07449	0.4
203.96335	0.4
209.10226	0.7
212.08124	0.4
215.11351	1.2
219.01813	1.1
219.07018	0.4
221.05180	0.6
227.11011	1.9
237.02852	1.5
245.12219	1.0
263.13513	0.6
269.12335	0.4
287.13293	0.4
305.14063	0.5
317.08810	0.6
321.09302	0.4
337.05997	0.9
389.17673	0.5
407.18869	100.0
408.19293	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	407.2402
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96558	0.5
67.05496	0.6
71.02746	0.6
72.54711	0.3
74.40742	0.3
79.05468	0.4
91.22519	0.3
92.69207	0.3
93.07027	0.4
109.10147	0.4
147.04381	0.5
155.70497	0.3
159.63857	0.3
172.36581	0.3
213.03056	0.3
285.10269	0.4
319.18887	0.4
321.16672	4.0
349.16843	0.6
367.17850	0.7
385.18631	0.4
407.24039	100.0
408.24371	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	408.0473
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54419	0.5
56.96552	3.0
59.46077	0.7
69.97642	1.6
69.98054	2.0
97.02885	2.4
98.21452	1.0
98.97575	5.7
113.03453	0.9
116.98613	7.9
119.01917	7.8
121.01706	0.8
134.99655	10.3
137.02922	4.6
153.00722	3.9
158.01286	1.5
158.99768	0.6
170.32413	0.6
177.00948	16.0
178.01033	2.8
179.00710	2.9
182.99953	0.9
200.02466	1.0
201.00972	1.2
210.77774	0.7
217.04079	3.6
218.03963	0.8
219.02013	26.9
220.02113	3.9
221.01819	3.8
225.00793	3.4
234.99884	1.1
236.00227	0.7
242.03697	1.3
243.01959	5.9
245.01720	0.9
256.96667	0.9
258.99936	3.1
260.00104	1.0
260.04706	1.2
261.03058	100.0
262.03207	15.8
262.99915	1.0
263.02817	12.5
264.03171	1.7
264.98929	0.8
266.03519	0.9
274.97559	2.7
276.98199	0.6
277.00912	4.5
278.01208	1.5
279.00848	2.6
280.01053	1.1
281.00684	1.5
282.99884	3.1
284.00064	1.4
284.04642	6.6
284.99844	2.6
285.04843	1.5
285.99866	0.8
286.99460	3.5
288.92130	1.6
292.98480	2.3
301.01004	8.0
301.98080	0.8
302.01157	3.1
303.00839	7.0
304.00909	2.5
305.00681	7.4
306.93082	1.1
345.95087	1.0
355.93939	1.4
356.93387	1.5
361.27841	0.9
364.45459	1.0
367.02048	1.9
372.46628	1.0
372.96133	11.3
373.46194	7.8
373.96182	6.1
374.46161	2.2
375.96899	0.8
381.97241	4.3
382.46960	4.1
382.96851	3.1
384.04999	0.9
384.47037	3.6
384.96652	3.7
385.03180	11.3
385.46768	1.4
386.02988	0.8
396.94849	1.6
397.94797	0.9
398.94522	2.9
400.97565	1.9
401.97543	1.1
402.97437	11.2
403.04163	19.3
403.97678	1.4
404.04272	2.2
408.04916	1.2
422.94711	1.0
426.05566	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	407.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80466	0.5
55.01856	1.4
56.70924	0.6
57.03429	1.3
58.46136	0.6
63.17686	0.6
67.05499	0.8
69.03436	0.7
69.74497	0.6
69.84579	4.0
71.04969	0.8
77.70273	0.7
79.05493	5.9
79.92419	0.6
81.07059	1.6
81.10793	0.5
82.47108	0.6
85.02892	1.6
91.05473	4.6
93.07036	0.8
95.04965	2.2
103.05470	4.4
104.06219	0.7
105.07027	16.9
106.07330	0.9
107.04950	4.2
108.05692	1.4
109.02859	0.8
109.06504	2.0
109.58459	0.6
111.04436	0.8
115.05466	1.6
118.04158	6.8
119.04946	3.2
119.08490	0.6
120.05707	1.4
121.06496	1.9
122.07258	1.9
123.04398	0.8
123.08098	1.8
124.05168	1.6
125.05970	0.8
128.63269	0.6
130.04166	0.7
131.04878	1.8
132.05699	1.3
133.02899	0.7
133.06483	19.3
134.07254	0.7
135.04425	3.2
135.08049	3.7
136.05154	0.7
137.05991	6.3
146.03630	1.1
147.04390	2.2
148.05185	1.0
149.05949	3.5
150.06754	12.6
151.03917	11.9
151.07552	4.6
152.41998	0.6
153.05463	1.9
161.05965	3.0
163.03801	0.8
163.07462	1.4
165.05457	0.9
165.09116	11.6
167.07033	10.6
168.07843	3.1
175.07558	1.0
177.05472	1.8
178.06224	4.2
179.07011	2.5
181.04970	1.5
181.08597	1.6
191.07007	0.7
193.08601	54.9
194.08961	1.5
195.06595	0.8
196.07339	0.9
205.08676	1.9
208.07423	0.7
211.09647	100.0
212.10068	2.5
221.89149	0.7
225.07536	1.3
306.40396	0.6
360.45160	0.7
361.03928	1.3
366.04468	0.8
379.05249	1.0
384.05515	1.1
389.79868	0.7
407.16467	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2434
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.8
54.14544	0.6
55.01860	0.9
55.05499	1.1
57.03424	1.3
59.04965	0.6
61.02909	1.6
67.05494	1.6
69.03423	4.3
69.07069	3.5
69.65321	2.8
69.65753	1.2
71.04977	2.4
79.05490	1.3
81.03415	1.5
81.07040	2.5
83.04962	2.5
83.08607	1.1
85.02421	1.0
85.02906	15.5
85.06524	1.1
85.23785	0.5
87.04429	0.7
91.05473	3.0
93.07043	7.7
95.04944	0.8
95.08602	17.9
97.02895	3.7
97.06532	5.4
99.04441	1.9
99.08083	1.8
105.07024	5.0
105.27612	0.7
107.08578	9.8
109.02890	1.2
109.06516	1.5
109.10164	5.1
111.08049	0.7
115.07546	0.9
117.07001	0.9
119.08588	2.9
121.06493	1.6
121.10138	10.4
123.08053	1.0
123.11720	1.2
124.04009	0.6
125.09630	2.5
127.03943	3.2
131.08562	6.4
133.10121	100.0
134.10443	2.1
134.81354	0.5
135.08078	3.5
135.11668	3.7
139.11179	1.6
143.08482	1.1
145.04955	4.4
145.10121	2.8
147.11664	4.6
149.09630	2.7
149.13243	5.3
151.11179	23.5
152.11693	0.6
158.10925	4.6
163.05997	1.5
163.14819	6.6
165.11539	0.6
173.13257	38.6
174.13589	0.8
178.18765	0.6
182.50392	0.6
191.14294	59.0
192.14618	1.1
209.15356	26.1
237.48196	0.5
277.14285	0.5
371.20685	2.9
407.14261	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.0548
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92933	0.3
56.53381	0.4
56.96559	2.9
67.05494	0.5
69.72832	0.4
70.10517	0.9
70.10908	1.0
71.04956	0.4
75.03915	0.4
81.07030	0.8
83.08662	0.5
85.02850	0.4
89.94724	0.5
93.07033	0.5
95.08619	0.7
95.80647	0.4
103.05397	0.4
103.08166	0.4
105.07009	0.5
107.04919	0.5
121.02861	0.9
123.04411	0.7
126.98884	0.4
128.72090	0.5
135.10365	0.4
135.11740	0.4
137.05917	0.4
142.43692	0.5
147.04263	0.4
167.07016	0.5
194.99886	0.5
213.00549	0.5
231.01675	0.4
243.03403	0.4
259.02936	0.4
261.04300	0.7
271.02768	0.5
277.03860	1.0
287.02328	0.8
289.03769	0.6
305.03381	1.1
315.01688	0.7
325.00000	6.4
333.02972	1.1
335.04276	0.5
343.01132	8.2
361.02283	100.0
362.02576	2.7
366.02707	2.3
379.03357	45.2
380.03766	1.5
384.03860	16.4
385.03976	0.8
402.04871	3.9
406.30298	0.9
407.05447	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.7
54.73021	0.6
55.05506	1.2
60.35548	0.6
60.72325	0.5
67.05505	1.9
69.03455	0.8
69.07071	2.9
69.80677	4.4
71.04984	3.2
79.05482	1.9
81.07046	2.1
83.04984	0.9
83.08619	0.8
85.02877	1.2
85.06554	1.6
87.59533	0.6
91.05475	4.4
93.07043	13.1
95.04957	1.7
95.08609	10.7
97.06539	4.9
98.21464	0.7
99.04472	1.0
99.08075	1.5
105.07029	8.2
107.04919	1.1
107.08588	7.3
109.06535	0.9
109.10159	1.8
115.07579	2.9
117.08723	0.7
119.08598	2.3
121.06524	1.0
121.10160	7.3
123.08101	2.1
123.11693	5.1
124.03953	0.9
125.09602	1.5
129.07045	1.0
131.08563	7.5
133.10132	100.0
134.10487	2.0
135.08034	1.8
135.11717	1.8
137.06047	0.8
143.08548	1.6
145.10127	2.7
147.11690	2.7
149.09639	3.3
149.13268	3.4
149.27922	0.6
151.11194	12.7
158.10846	3.7
163.03944	1.2
163.14845	3.9
167.07043	1.5
173.13263	28.2
181.04913	1.0
191.14308	40.9
192.14607	0.8
209.15364	38.1
213.44669	0.6
316.12518	0.6
407.16879	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06127	0.5
53.03912	0.5
54.99799	0.5
55.05509	1.1
56.05028	1.4
57.03413	1.8
58.06601	0.6
61.02916	0.7
65.03946	0.5
67.05497	1.1
69.03410	1.7
69.07060	3.7
70.06570	0.9
71.04986	7.2
71.20973	0.6
71.61295	1.0
71.61653	0.7
79.05484	6.2
80.71264	0.5
81.03426	1.0
81.07069	2.8
83.04962	1.3
84.04473	1.3
85.02907	4.5
85.06573	0.7
91.05473	4.8
93.07039	7.4
95.04943	1.7
97.02872	0.8
97.06522	1.1
99.04475	0.7
105.07024	6.3
107.04957	3.6
107.08588	13.8
109.06516	0.7
111.04443	0.7
117.07004	1.1
119.08572	2.5
121.06505	11.3
121.10150	6.5
123.08057	0.8
125.05996	0.8
126.02139	0.6
127.03900	0.8
129.05473	0.6
129.06973	1.8
130.07755	0.8
131.08563	57.1
132.08900	2.6
135.04413	1.1
135.08047	1.2
135.11684	1.2
137.05984	1.4
139.07550	0.9
141.05412	0.7
145.10126	12.8
147.08046	1.1
147.11705	0.8
149.06039	1.2
149.09615	23.2
150.09964	1.6
151.07446	0.6
153.05473	3.3
153.12740	1.1
163.03876	2.8
163.11180	8.6
165.09114	2.3
167.07079	1.5
167.10658	1.4
173.09641	1.5
174.09540	0.9
177.00925	0.6
181.12135	0.6
191.10661	17.9
192.11000	1.0
209.11719	100.0
210.12074	4.8
242.47104	0.6
244.15674	0.8
259.11096	4.5
310.46127	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.173
Annotation	Glu Ala Trp
Peak:m/z	Relative Intensity
57.03423	0.3
69.03421	0.9
71.04974	0.3
71.32482	0.5
72.08135	0.3
73.02892	0.3
81.03420	0.4
85.02908	1.3
87.00831	0.3
97.02879	0.7
106.02932	0.3
109.02853	0.4
116.98627	0.3
121.06485	0.2
123.04416	0.6
125.04282	0.3
127.03934	0.7
135.04416	0.2
137.06006	0.5
137.36255	0.3
146.99614	0.3
161.05975	0.4
163.03925	0.4
167.07089	0.4
169.04941	0.4
175.07536	0.4
203.07072	0.6
219.01842	0.3
237.02922	0.5
243.12094	3.1
332.49802	0.3
387.16199	2.7
405.17337	100.0
406.17770	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	406.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06127	0.5
53.03912	0.5
54.99799	0.5
55.05509	1.1
56.05028	1.4
57.03413	1.8
58.06601	0.6
61.02916	0.7
65.03946	0.5
67.05497	1.1
69.03410	1.7
69.07060	3.7
70.06570	0.9
71.04986	7.2
71.20973	0.6
71.61295	1.0
71.61653	0.7
79.05484	6.2
80.71264	0.5
81.03426	1.0
81.07069	2.8
83.04962	1.3
84.04473	1.3
85.02907	4.5
85.06573	0.7
91.05473	4.8
93.07039	7.4
95.04943	1.7
97.02872	0.8
97.06522	1.1
99.04475	0.7
105.07024	6.3
107.04957	3.6
107.08588	13.8
109.06516	0.7
111.04443	0.7
117.07004	1.1
119.08572	2.5
121.06505	11.3
121.10150	6.5
123.08057	0.8
125.05996	0.8
126.02139	0.6
127.03900	0.8
129.05473	0.6
129.06973	1.8
130.07755	0.8
131.08563	57.1
132.08900	2.6
135.04413	1.1
135.08047	1.2
135.11684	1.2
137.05984	1.4
139.07550	0.9
141.05412	0.7
145.10126	12.8
147.08046	1.1
147.11705	0.8
149.06039	1.2
149.09615	23.2
150.09964	1.6
151.07446	0.6
153.05473	3.3
153.12740	1.1
163.03876	2.8
163.11180	8.6
165.09114	2.3
167.07079	1.5
167.10658	1.4
173.09641	1.5
174.09540	0.9
177.00925	0.6
181.12135	0.6
191.10661	17.9
192.11000	1.0
209.11719	100.0
210.12074	4.8
242.47104	0.6
244.15674	0.8
259.11096	4.5
310.46127	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.173
Annotation	Glu Ala Trp
Peak:m/z	Relative Intensity
59.06116	0.5
67.05473	0.3
69.03410	0.8
69.52760	0.7
69.53171	2.1
73.02898	0.4
81.03463	0.3
85.02910	1.7
86.09714	0.3
89.03883	0.3
91.05483	0.4
97.02878	0.5
105.01836	0.5
118.88331	0.3
121.06471	0.8
127.03899	0.9
145.02919	0.4
163.03932	1.4
169.05006	0.3
200.00766	0.3
203.05461	0.3
225.10922	0.9
243.12056	0.9
264.27432	0.3
289.08911	0.4
344.98068	0.4
387.16235	15.2
388.16742	0.8
405.17319	100.0
406.17651	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	405.1545
Annotation	Nitidanin
Peak:m/z	Relative Intensity
53.22129	1.0
55.01863	2.0
55.05544	1.3
57.07068	1.0
65.03947	6.1
67.05493	3.2
68.16711	1.0
69.03417	3.4
69.27632	2.6
69.28039	9.5
71.41491	1.1
79.05495	6.2
79.96426	1.1
81.03415	3.5
81.07044	5.0
82.04202	2.0
82.07394	1.5
85.02888	6.1
91.05466	3.2
93.03355	1.1
93.07020	2.0
95.04943	5.0
97.06546	2.8
97.28853	0.9
100.25025	1.1
103.05473	2.4
105.07033	1.9
106.04224	1.2
107.04949	15.4
109.06541	1.6
110.03643	3.2
111.04409	1.3
115.05456	5.0
117.06997	3.3
119.04931	1.7
121.06475	1.5
122.03632	4.1
123.00793	1.2
123.04409	3.0
124.05208	2.4
125.05997	4.2
127.03934	2.0
127.07401	1.2
128.06248	2.6
129.06992	7.6
131.04929	3.5
133.06502	1.8
137.05978	39.1
138.03128	3.0
138.06305	1.3
142.02611	2.4
143.04930	4.7
144.05684	1.6
145.06476	4.7
145.58365	1.0
147.04440	5.2
147.07968	1.3
149.05943	2.7
151.03908	23.1
151.05096	1.7
152.04680	1.7
153.05452	3.3
157.06490	10.3
160.05197	1.1
161.05980	7.8
161.09619	1.7
163.03897	1.9
163.07521	1.4
165.05486	1.6
167.07042	36.1
167.08423	2.4
168.30809	1.1
171.04405	4.6
171.06544	7.1
172.05206	4.4
173.06015	2.4
174.06755	2.4
175.07518	6.6
176.04712	1.5
177.05412	1.4
179.07043	2.0
181.04958	100.0
181.08418	2.7
182.05299	1.5
187.07564	4.0
189.05467	2.9
189.09099	9.3
191.07085	5.6
191.89111	1.3
193.08635	3.2
195.06525	4.6
200.04668	2.1
201.05437	1.7
203.06996	18.8
205.08577	5.9
206.05797	2.2
209.08076	1.7
215.07071	1.6
218.05721	3.3
221.08055	7.5
233.08078	41.2
234.08487	1.6
247.07721	1.3
249.05582	1.2
249.09042	1.6
251.09172	3.3
262.06247	1.7
263.09137	11.5
265.08646	1.3
276.07837	1.3
277.08563	3.0
293.08023	1.5
301.07120	1.7
301.11215	1.1
305.08182	1.4
309.11185	3.4
325.10709	3.3
336.10028	1.3
337.10828	6.2
339.12158	1.4
341.13861	2.6
342.11392	1.7
351.12262	3.4
357.13382	12.6
369.13342	6.1
375.14352	2.9
387.14392	30.2
388.14542	2.2
405.15247	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1544
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19527	1.1
55.01873	2.2
65.03645	1.0
65.03941	7.6
65.97942	1.1
67.05497	4.2
69.03426	2.3
69.64125	8.6
79.05493	8.8
81.03408	5.1
81.07087	1.5
82.04197	3.4
85.02923	6.0
91.05453	2.8
93.03404	2.5
93.07009	1.3
94.04190	1.7
95.04979	5.0
97.06531	2.0
98.20742	2.0
103.05484	2.2
105.07018	1.7
107.04951	15.2
108.02116	2.2
109.06524	1.4
110.03645	3.2
111.04447	3.3
114.83420	1.0
115.05463	5.2
117.07030	2.5
119.02055	1.2
119.04905	1.3
121.06488	2.3
122.03671	3.4
123.04453	2.7
124.05212	3.4
125.05987	5.1
127.03960	1.6
128.06250	2.3
129.07039	8.4
131.04936	3.0
131.08611	1.3
133.06511	2.6
137.05972	34.8
138.03119	2.6
138.06290	2.2
141.05522	2.3
142.02612	1.6
143.04938	4.3
145.06471	5.7
147.04399	5.2
149.05951	1.3
151.03908	31.7
151.05026	2.0
151.07526	1.3
152.04556	1.5
153.05383	2.4
157.06500	9.0
159.04512	1.4
159.08034	2.8
160.05237	2.7
161.02948	2.6
161.05978	5.5
163.07568	1.8
165.05452	1.9
167.05618	2.5
167.07043	41.2
168.07417	1.7
171.04399	4.8
171.06519	7.5
172.05223	4.4
173.05980	3.0
174.06747	2.4
175.07562	7.4
176.04727	1.8
177.05495	1.7
181.04961	100.0
182.05321	2.1
187.07558	4.2
189.05463	3.4
189.09074	9.9
191.07030	3.8
193.08626	1.2
195.06541	2.0
200.04668	2.7
201.05571	1.8
203.06993	16.3
203.08679	1.4
205.08566	5.7
206.05736	1.6
207.06441	1.8
217.08604	1.7
218.05807	2.9
219.06375	1.7
219.08273	1.4
219.10094	2.4
221.08009	8.4
233.08083	46.5
235.09619	3.4
245.08246	1.5
247.07671	1.6
249.09033	1.4
251.06865	1.3
251.09167	4.6
263.09207	9.5
265.08569	2.1
277.08606	3.7
281.11957	1.2
285.70187	1.0
293.07837	1.6
294.08853	1.7
301.07199	1.9
305.08157	1.2
308.06168	1.1
309.11304	3.2
325.10693	3.2
327.12460	2.3
337.10815	5.4
341.14047	2.6
342.11102	1.9
351.12485	5.0
356.12592	1.3
357.13342	15.2
369.13345	10.9
375.14554	1.8
387.14401	32.6
388.14874	2.3
405.11075	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1545
Annotation	(+)-8-Hydroxy-alpha-conidendric acid methyl ester
Peak:m/z	Relative Intensity
55.01880	13.1
68.30810	2.1
69.03429	2.6
69.50648	14.5
69.51063	5.1
73.02498	3.8
73.02918	72.3
73.20855	2.1
73.24971	2.2
73.51171	2.4
74.42094	2.0
77.18410	2.1
77.93301	2.3
78.04710	2.1
79.05480	7.0
81.03371	3.1
81.07029	3.5
81.74388	2.3
85.02898	9.3
91.05469	6.4
95.04932	5.5
95.08583	2.5
98.21469	5.2
103.05471	6.6
105.07049	3.5
107.04947	15.4
119.04945	3.6
121.06493	7.9
123.04402	5.3
124.05209	4.9
130.04105	2.6
131.04916	17.6
133.06483	3.8
137.05951	15.0
147.04431	5.7
149.05978	16.0
151.03903	3.8
153.05467	8.4
153.06984	4.6
161.05989	26.8
163.03906	2.7
163.07509	3.0
165.05673	3.1
165.06972	10.7
167.07054	95.3
168.05769	3.2
173.06088	2.6
175.03908	3.7
175.07584	3.8
176.04698	3.9
177.05501	4.3
177.06953	4.1
179.07039	5.4
181.04982	5.8
181.06509	11.3
181.08743	2.8
182.07220	4.8
183.08054	7.8
187.07478	3.4
189.05443	7.8
191.07019	29.0
193.06427	3.7
193.80751	2.1
194.07329	3.9
195.06465	3.7
195.08037	19.8
197.06075	3.0
203.07051	7.8
207.06519	5.6
208.05209	2.6
209.06007	5.7
210.06737	10.0
211.07558	16.0
212.08356	3.0
213.05406	3.7
215.06924	4.1
221.05911	4.5
221.08087	3.3
222.06741	6.3
223.03923	2.6
223.07553	16.5
224.08266	6.5
225.05476	4.8
225.09097	3.5
226.06212	3.6
226.08513	3.2
227.07042	5.2
233.06064	2.9
233.08028	12.1
234.06636	2.5
236.04678	5.6
237.05545	5.4
237.09125	3.0
238.06207	8.0
239.06987	14.9
239.09154	5.8
240.07715	5.6
243.10139	6.1
244.09703	86.0
250.06299	4.0
251.06990	34.8
252.07736	8.0
253.04893	2.7
253.08531	9.1
255.06529	10.1
255.10051	5.9
257.08191	3.1
265.08566	6.1
266.05814	4.2
267.06509	5.1
268.07364	7.8
269.08075	15.8
269.11282	2.9
270.08731	6.5
271.09579	6.3
279.09976	3.9
281.08099	6.3
283.06155	7.1
283.09622	57.7
284.10257	5.4
285.07611	15.3
288.09970	24.9
289.10522	2.7
293.08066	10.2
295.09680	2.7
297.11252	3.3
298.08459	3.4
299.08984	6.4
300.09918	100.0
301.10327	8.7
303.12238	30.5
309.07593	6.7
312.09802	5.0
313.10687	7.1
314.11389	8.0
315.12271	54.0
316.12582	3.6
323.09134	9.1
325.10663	5.5
327.12161	6.9
329.10266	13.4
337.10541	2.7
339.12048	5.6
341.10211	45.8
345.09677	22.2
355.11813	36.7
356.12073	3.2
369.13394	11.7
375.14352	27.9
387.14389	77.0
388.14456	5.3
405.15433	42.4
406.15369	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	405.1544
Annotation	Nitidanin
Peak:m/z	Relative Intensity
53.03933	1.7
55.01861	1.9
60.55263	0.5
62.31985	0.6
65.03935	7.2
67.05486	3.3
69.03415	2.4
70.93047	1.7
74.08372	0.6
79.05492	6.9
81.03407	4.0
81.07034	1.2
82.04172	1.6
85.02896	4.5
91.05478	3.1
91.69209	0.6
93.03384	1.3
93.07046	0.9
94.04170	1.1
95.04961	4.5
97.06516	3.1
101.33427	0.5
103.05466	1.5
104.30723	0.6
105.07030	1.7
106.04158	0.6
107.04947	13.7
108.02072	1.3
109.06501	1.6
110.03645	2.6
111.04398	1.7
115.05453	5.4
117.07024	3.0
119.04953	1.6
119.08622	0.7
121.06519	1.2
122.03645	2.8
123.04398	2.3
124.05178	2.9
125.06012	4.3
127.03922	2.1
128.06203	2.8
129.07004	8.1
131.04948	2.9
131.08611	0.9
133.06468	1.4
135.04417	1.2
137.05972	31.6
138.03087	2.1
139.03902	0.8
140.04604	0.8
141.05481	0.9
142.02620	2.0
143.04916	3.4
143.08588	0.6
144.05711	1.4
145.06506	5.6
147.04405	1.7
147.08058	1.6
149.05995	1.8
151.03909	14.8
151.04996	1.2
151.07565	1.0
152.04678	1.8
153.05490	2.0
155.07069	0.9
157.06468	8.1
158.07141	0.7
159.04402	0.8
159.08023	1.0
160.05194	2.6
161.05972	4.7
161.09589	1.0
163.03947	0.9
163.07524	1.8
165.05371	0.9
166.02660	0.7
167.07034	41.2
168.07391	1.2
171.04352	4.7
171.06525	6.5
172.05205	5.5
173.05943	2.7
174.06747	1.8
175.03819	0.7
175.07518	5.2
176.04753	0.9
177.05528	1.3
177.09111	0.8
179.06981	1.5
181.04947	100.0
182.05325	2.8
187.07513	4.9
187.34196	0.6
188.04581	0.9
189.05438	2.4
189.09111	11.1
190.06216	0.8
191.06970	3.5
193.08656	1.3
195.06528	3.1
200.04674	2.2
201.05365	1.2
203.07019	10.6
203.08714	1.2
204.07738	0.7
205.06891	0.8
205.08603	4.5
206.05675	1.2
207.06450	1.4
207.10144	1.6
209.07991	0.7
215.07001	1.3
217.08620	0.9
218.05602	4.0
219.06281	1.1
219.08217	0.8
219.10056	1.3
221.07993	5.9
222.06775	0.8
231.08105	1.1
233.08078	44.4
234.06665	1.0
234.08644	0.7
235.07555	0.8
235.09651	2.3
245.08087	2.5
247.07512	1.3
249.09070	1.8
251.06850	0.7
251.09230	3.3
263.09198	10.8
265.08630	1.9
266.09238	1.1
276.07922	1.1
277.08533	2.9
279.06552	1.0
282.08624	0.7
291.10184	0.8
292.07251	0.8
293.08066	1.7
294.08820	1.1
297.11218	1.4
300.09818	1.1
301.07065	1.5
302.11511	1.0
307.09518	1.2
308.10455	0.9
309.11243	3.0
314.11557	1.0
316.09338	1.0
318.65503	0.6
325.10635	1.9
327.12241	1.4
337.10760	4.0
337.14087	0.7
339.12201	1.7
341.13806	1.9
342.11075	0.9
343.11417	0.6
351.12219	3.8
354.10974	0.8
357.13290	11.1
358.13495	0.8
369.13385	6.6
375.14374	2.0
387.14346	30.2
388.14865	1.6
405.15714	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98796	1.2
53.03920	1.6
55.05495	2.2
58.78202	1.1
67.05499	2.9
69.03414	2.8
69.07063	2.5
71.04991	1.9
79.05474	2.0
81.03393	2.7
81.07037	5.1
83.04984	3.9
83.34166	1.3
85.02913	13.2
85.06550	4.7
91.05486	2.8
93.07032	3.5
95.04957	4.5
95.08594	3.2
97.02867	2.1
97.06516	5.7
103.05494	1.6
105.07026	5.6
107.04951	3.0
107.08604	6.1
109.06511	19.5
109.10136	3.5
111.08078	15.9
119.08566	8.2
121.06506	2.0
121.10146	10.4
123.08073	4.8
123.11719	11.9
125.05979	1.8
131.08559	2.0
133.10118	4.2
135.11679	2.3
137.05997	4.0
137.09612	19.5
137.13290	1.5
147.08051	2.5
147.11670	12.9
149.05945	1.6
149.09628	8.7
151.03870	2.8
151.07492	4.5
156.09460	1.4
161.05977	2.0
161.09593	2.1
161.13283	3.9
163.11186	1.8
165.09062	1.4
165.12749	42.2
166.13066	1.6
167.06979	8.0
171.11685	5.1
174.10428	3.0
179.14296	3.1
181.04977	2.9
181.08600	2.2
183.12514	1.2
189.12718	18.2
207.13789	100.0
208.14120	2.9
209.08112	4.8
225.14824	1.8
229.61108	1.5
233.08133	3.3
234.99297	1.6
301.07037	2.0
321.45551	1.2
387.14584	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1157
Annotation	CHEBI:77582
Peak:m/z	Relative Intensity
65.03920	0.8
66.65706	0.7
67.05479	1.0
73.02937	1.0
78.51527	0.6
79.05477	1.4
81.03406	0.7
81.07047	1.4
81.95611	0.6
91.05470	2.1
92.22398	0.6
93.07065	0.7
95.04965	0.9
95.08593	0.8
103.05468	1.2
105.07017	1.3
106.04149	0.7
107.04952	1.8
111.04439	0.8
115.05415	0.7
119.04946	1.4
121.06538	1.6
123.04424	2.3
124.05216	1.1
125.07137	1.1
131.04921	2.0
133.06476	1.3
137.05994	4.7
147.04382	2.8
149.05957	2.4
149.09573	1.7
151.03764	2.9
151.07536	1.2
161.05971	2.5
163.03809	0.8
163.07559	2.0
165.05435	0.8
167.07030	19.0
167.08394	0.9
169.01126	0.7
175.07585	0.9
177.05490	1.2
179.07063	1.5
181.04953	2.6
181.08572	1.6
187.07666	0.9
191.07005	0.8
193.08612	3.9
193.53918	0.6
209.08093	2.9
215.06856	0.9
227.05338	1.2
233.08150	1.2
253.03113	0.7
257.11334	2.7
271.04254	11.3
283.09769	0.8
300.09879	1.1
319.11606	2.1
343.11508	1.9
361.12585	11.9
373.75299	0.8
387.14398	2.2
405.11551	100.0
406.11743	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	404.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.2
55.05498	2.4
57.03416	1.1
58.06586	2.7
59.05010	3.5
59.15204	0.7
61.02936	1.0
67.05497	1.4
69.03420	2.4
69.07061	1.5
70.06589	1.0
71.05000	4.4
71.58653	1.3
74.06059	0.9
76.07650	7.9
79.05488	3.0
79.29150	0.6
81.03410	1.2
81.07064	3.7
83.04981	1.8
85.02428	1.2
85.02907	17.1
85.06528	1.6
85.57482	0.7
86.09699	0.9
87.04471	1.4
91.05473	4.6
93.07037	4.1
95.04949	2.0
95.08602	5.4
97.02879	1.2
97.06527	1.3
97.10161	0.9
99.04438	1.5
101.06038	0.7
105.06397	1.1
105.07039	13.7
107.04995	1.8
107.08595	11.3
109.02856	1.4
109.06533	3.8
109.10132	2.0
111.04423	1.3
111.08021	0.8
117.07026	1.1
117.82975	0.7
119.08580	16.8
120.08808	0.7
121.06487	3.7
121.10147	11.3
123.04465	1.3
123.08077	4.0
123.11699	6.4
124.07585	1.9
125.09607	1.4
125.57841	0.8
127.03905	1.5
128.06215	1.7
129.07013	2.4
129.87595	0.7
130.07806	0.9
131.08562	11.0
131.11264	0.7
133.10129	2.8
135.04425	0.7
135.08055	18.6
135.11678	3.5
137.05989	1.9
137.09621	1.1
139.11160	1.0
141.06985	0.9
142.07799	0.9
143.08556	8.8
145.04977	0.8
145.10139	5.6
147.08046	13.9
147.11694	14.8
149.09613	15.1
150.10022	1.0
156.09329	11.8
159.07967	1.1
159.11710	2.0
161.06026	1.1
161.09622	2.2
161.13231	5.9
163.03909	5.0
163.11177	2.3
164.83838	0.9
165.09142	3.0
165.12732	2.9
166.08595	1.1
167.07104	1.6
167.10597	1.3
171.11687	30.8
172.11963	0.9
174.10391	1.6
177.12732	1.0
179.14291	1.2
189.12756	22.2
190.13187	0.8
207.13805	100.0
208.14183	5.0
224.12897	0.9
225.14853	1.5
237.02789	1.0
242.08203	1.5
259.06921	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.2
55.01866	8.4
56.05012	0.9
57.03433	6.4
61.02935	4.8
68.99780	2.9
69.03429	35.5
69.80196	2.4
69.80620	4.1
70.06580	2.6
71.01360	1.8
71.04996	7.7
73.02913	5.3
75.78442	1.0
81.03417	22.7
81.07038	1.9
84.04487	2.5
85.02905	100.0
86.03240	1.6
86.09701	1.8
87.00829	29.8
87.04430	1.4
91.03956	1.4
91.05464	6.0
93.07031	3.4
95.04965	1.3
95.08550	1.4
97.02885	22.7
98.21489	2.1
99.04452	15.5
101.02348	0.9
103.03918	2.9
103.05482	2.1
105.01179	2.2
105.01867	44.0
105.07032	1.6
107.04916	1.3
107.08565	1.6
108.04462	2.0
109.02887	25.5
109.30592	1.1
115.03928	1.2
117.01839	1.6
119.04974	2.1
119.08580	1.4
121.06500	28.1
121.10152	1.2
123.04419	1.5
123.08035	1.7
126.05498	1.8
127.03916	61.6
128.04247	1.5
129.01837	4.4
135.04385	1.1
145.04955	31.6
145.06245	1.4
147.02881	3.7
147.04312	2.2
159.02879	12.2
159.11559	1.0
163.03908	4.3
163.07481	3.1
166.36993	1.0
167.07051	1.8
171.02905	2.0
175.03906	3.7
177.05502	2.0
179.14264	1.3
187.07545	4.3
189.03925	9.3
205.08583	4.4
207.06500	8.6
207.13757	1.9
213.03868	4.7
224.13144	1.1
225.07603	3.8
225.14833	3.1
229.08595	3.8
231.05006	26.6
242.10262	1.4
247.09645	5.1
249.06071	11.2
327.17798	1.0
333.09421	1.1
351.10617	1.4
369.11832	2.2
404.15515	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	403.248
Annotation	Macrolactin J
Peak:m/z	Relative Intensity
55.05516	10.9
57.11202	10.6
57.31306	9.4
60.17952	10.9
67.05476	20.3
71.04961	12.8
79.05502	13.5
81.07055	100.0
93.07017	34.7
95.08594	43.8
105.07034	41.2
107.04944	64.3
107.08593	41.6
109.10130	22.8
113.97553	10.2
119.04909	10.5
119.08547	24.3
120.71718	9.5
129.01849	25.2
131.04942	16.8
133.06458	35.0
133.10127	11.6
135.11664	57.0
137.13269	16.6
147.04425	64.3
147.26653	14.8
149.25766	10.7
153.12740	12.1
159.04388	14.7
177.05453	26.6
187.07701	11.9
199.07539	11.6
199.11224	12.6
203.17850	11.7
237.36768	10.5
239.02272	14.4
317.53668	10.0
367.22586	78.6
385.23602	22.1
403.28375	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	404.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.4
55.01865	7.2
57.03431	6.2
61.02919	7.4
68.99771	3.2
69.03424	30.5
70.93467	3.4
71.04990	5.0
73.02909	6.5
76.35780	0.9
81.03416	22.4
85.02899	100.0
86.03220	1.2
87.00299	1.9
87.00825	39.4
91.03918	2.5
91.05453	1.5
93.07008	1.4
97.02883	31.6
98.03189	1.5
99.04456	13.0
103.03940	9.0
105.01861	63.0
107.08524	1.3
108.04436	1.8
109.02871	25.8
115.03925	1.2
117.01821	1.8
121.05648	1.6
121.06489	22.3
122.06765	1.1
127.03909	69.1
128.04231	1.4
129.01831	3.8
129.08388	0.9
135.08070	1.1
145.04948	40.8
145.06419	5.6
147.02855	4.0
158.07201	1.0
159.02887	15.6
159.07990	1.6
163.07533	7.5
165.09004	1.0
167.06947	1.7
171.02792	2.5
173.05914	2.9
175.07555	1.2
177.03874	1.3
183.07994	1.8
185.06046	1.3
187.07526	11.8
189.03935	24.2
189.09029	1.3
201.09068	2.0
205.08597	14.1
207.06538	3.3
211.07533	3.2
213.03912	3.5
225.07451	1.1
229.08580	15.9
231.04974	24.4
247.09659	16.4
248.10139	1.1
249.06029	8.3
315.08530	2.1
333.09607	5.1
351.10718	2.6
361.69244	1.0
369.11945	7.2
405.16077	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1365
Annotation	Nobiletin
Peak:m/z	Relative Intensity
50.80934	0.6
56.96560	0.7
57.03428	1.2
61.02910	0.9
62.06072	0.8
69.03413	1.4
69.31213	3.3
69.31651	3.2
70.06583	0.8
70.27081	0.6
73.02904	2.8
82.20287	0.6
84.08135	0.8
85.02898	2.4
88.87217	0.7
91.05489	1.3
97.02917	2.5
98.97591	1.7
101.07108	0.7
104.07123	0.8
107.08591	0.8
116.98658	1.0
117.68309	0.7
121.06494	1.8
127.03973	0.8
177.00711	0.7
237.02910	1.4
267.59155	0.7
287.10367	0.7
403.13638	100.0
404.14032	5.7
418.08679	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1961
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25415	0.4
53.03938	1.1
55.01865	0.8
55.05505	0.8
61.02953	0.6
65.03943	0.5
67.05505	1.6
69.03429	3.6
69.07067	1.3
79.05494	5.3
81.03441	1.0
81.07057	100.0
82.07420	0.8
82.74307	0.4
83.04990	0.9
83.08616	0.4
85.02907	8.3
86.06070	1.9
87.00834	2.8
91.05479	1.5
93.07054	3.0
95.04974	0.9
95.08610	7.8
97.02892	1.8
98.20731	0.8
99.04451	1.0
103.03975	0.4
103.05463	0.7
105.01871	8.0
105.07035	1.9
107.04966	1.3
107.08610	0.9
109.02883	1.6
109.10165	1.0
111.04478	1.1
115.08666	0.9
119.08590	1.2
121.06527	0.9
121.10130	0.6
123.04431	0.7
123.11688	0.5
127.03922	3.5
129.01836	1.3
129.05527	0.5
133.06448	0.6
133.10196	0.6
135.11728	1.5
137.05966	0.9
137.13254	39.2
138.13651	1.1
142.07761	0.7
143.08618	1.1
145.04997	1.6
147.11707	0.7
149.05951	0.6
149.09674	0.5
149.13257	0.9
151.03978	0.6
153.05511	1.7
157.10136	1.3
159.04379	0.7
161.06055	0.8
163.07588	0.6
167.03435	0.6
167.07024	7.5
167.08401	0.6
168.07420	0.7
168.97211	0.5
173.13280	0.5
177.05504	0.5
177.12820	1.0
181.05046	1.4
185.09676	0.7
189.12766	0.5
191.07007	0.6
193.04941	0.4
203.10655	1.0
203.14372	0.5
207.06631	0.6
227.14424	0.6
231.05093	1.9
245.15497	2.0
249.06111	1.5
263.16595	1.1
278.23026	0.5
283.68546	0.5
314.08395	0.7
317.09174	0.5
331.15588	0.6
332.11658	0.7
349.16437	2.3
350.87189	0.5
353.05273	0.4
367.17331	3.0
373.12750	0.9
385.18777	1.3
403.13815	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	402.2851
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49543	8.3
55.03985	12.1
55.05497	38.6
57.03421	25.8
67.05227	7.2
67.05502	77.9
67.30965	9.5
69.07054	36.8
70.16625	23.7
70.17039	18.1
71.04982	27.9
79.05489	62.5
81.03417	12.2
81.07052	61.6
83.04956	15.1
83.08632	21.2
85.06548	13.1
89.99520	8.9
91.05482	59.1
93.07039	100.0
95.04949	12.8
95.08618	52.3
97.06498	14.8
97.10171	22.5
105.07043	46.6
107.04934	13.2
107.08607	62.8
109.06503	17.3
109.10134	27.6
117.07006	22.6
118.79460	8.1
119.08559	43.6
121.10143	26.1
123.08059	9.3
125.09665	11.5
129.01816	7.6
131.08556	36.3
133.10094	33.4
135.07997	8.3
135.11685	19.1
139.11098	11.3
143.08548	10.2
145.10130	20.8
147.04376	11.2
147.11638	18.0
149.09618	11.0
159.11667	17.7
173.13298	12.2
183.11682	11.9
185.13264	14.5
187.14725	9.4
191.14429	8.4
224.82680	8.2
239.17903	10.7
255.01753	10.0
257.19009	18.0
260.29538	8.4
269.17398	9.3
273.02713	10.5
275.20041	63.1
293.21124	9.0
349.23703	19.6
367.24774	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	402.1756
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37638	1.3
53.03934	4.9
55.01867	9.9
56.05019	5.1
57.03424	6.3
60.04519	1.8
61.02929	9.5
65.03961	1.7
67.05492	2.5
68.99779	3.6
69.03074	2.2
69.03430	33.2
69.07050	1.7
69.51504	12.2
70.06583	4.1
71.04983	6.3
72.08142	5.0
73.02913	12.8
81.02979	2.0
81.03419	28.7
81.07046	2.4
81.58191	1.6
83.07964	1.3
83.26989	1.3
84.04490	1.7
84.08130	1.7
84.97581	1.2
85.02903	100.0
86.03253	2.4
86.06056	3.1
86.09715	3.7
87.00830	26.2
87.04459	2.1
91.03932	3.2
91.05484	10.6
92.05759	1.6
93.07030	5.4
95.04974	3.8
97.02278	2.5
97.02888	42.2
99.04456	19.1
103.03929	2.0
103.05448	4.5
105.01868	43.3
105.07011	2.6
107.04964	8.2
107.08581	4.8
108.04491	2.1
109.02875	33.4
109.06503	2.9
110.07178	2.2
111.04408	2.0
115.03911	3.2
115.05482	2.8
117.01836	3.2
117.07021	3.0
119.04931	18.5
119.08576	3.8
121.06517	10.2
121.10121	2.2
122.03633	2.1
123.04427	8.5
125.09600	1.9
127.03916	94.2
128.04285	3.7
129.01817	5.2
131.04924	9.5
131.08597	2.1
132.08083	1.6
133.06502	3.0
135.04402	1.7
135.08067	4.2
137.05977	73.6
137.09523	1.6
138.06326	5.0
143.04942	3.1
145.04956	64.4
145.06422	6.0
146.06084	1.7
147.02908	3.7
147.04405	34.1
147.08105	1.3
148.07550	2.8
149.05931	3.2
149.09639	2.9
151.07561	3.7
153.05466	3.1
154.06221	4.2
159.02895	26.9
159.11707	1.6
160.03113	1.4
160.07559	2.4
161.05986	1.7
163.07533	10.9
163.11147	1.8
165.07834	2.6
165.09166	2.5
167.07018	7.7
167.10648	3.0
173.05925	1.9
175.07489	3.0
177.04015	3.5
177.05424	1.5
177.07751	1.6
177.09128	3.5
177.12672	1.3
178.08624	3.1
179.07014	33.8
180.10181	19.9
181.04991	1.8
181.08617	3.8
182.05246	2.8
189.03964	5.3
190.08594	2.6
191.07013	1.8
192.10168	8.6
193.08505	1.3
197.08076	8.6
204.10226	5.1
205.08624	3.2
205.12254	4.8
208.09714	3.3
213.03920	4.5
222.11246	27.6
223.09648	5.8
223.13292	4.8
231.04996	33.9
240.12236	7.5
241.14244	1.7
248.07516	1.7
249.06085	7.9
266.08905	1.3
311.12628	1.2
321.09756	1.7
342.15369	4.0
352.12985	1.7
367.10138	2.8
384.15411	2.6
402.17819	11.3
403.13629	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	402.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09528	1.2
53.03938	5.4
54.39087	1.2
55.01867	11.7
56.05005	1.7
57.03428	7.5
57.38253	1.2
60.04520	1.6
61.02918	5.7
68.99776	2.6
69.03422	26.4
70.21835	2.4
70.22231	2.9
71.04984	5.4
72.08144	1.4
73.02904	9.4
81.02980	2.0
81.03418	26.4
81.07047	2.3
85.02901	96.8
86.09740	1.6
87.00829	27.7
87.04497	1.6
91.03931	3.5
91.05463	4.3
93.07021	2.7
97.02890	37.8
99.04453	17.6
101.88098	1.3
103.03938	1.7
105.01865	40.7
105.07024	3.1
107.04957	2.2
107.08571	1.3
108.04469	3.7
108.05271	1.1
109.02876	29.6
114.51630	1.3
115.03911	1.6
116.98652	2.6
117.01859	3.5
120.05329	1.3
121.06519	7.7
122.06841	1.8
123.04429	6.5
126.05540	2.3
127.03912	100.0
129.01828	4.3
133.06485	1.5
142.58443	1.2
145.04958	68.8
147.02881	5.4
147.04413	2.4
149.06212	1.5
151.07561	1.6
154.06256	3.9
159.02892	28.1
161.06029	1.9
167.07098	6.5
177.03915	2.4
181.05017	1.8
189.03925	6.0
193.08592	2.7
205.08568	1.9
205.12175	2.4
209.08023	2.6
213.03922	3.4
223.13472	2.5
231.04979	30.1
237.02698	1.5
248.07715	3.2
249.06088	6.0
255.08701	1.6
323.10794	1.8
357.11713	4.0
367.10196	4.5
384.15298	3.1
403.13403	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1807
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47065	3.7
55.01865	7.3
55.05507	7.4
56.96564	5.6
57.03448	6.2
57.07058	3.5
65.03948	6.5
67.05492	11.2
69.03434	25.3
69.07058	10.8
70.17907	18.1
70.51223	3.7
71.01273	3.8
71.04984	15.9
71.05322	3.4
79.05495	24.5
81.03428	15.1
81.07059	29.1
83.04979	9.6
84.42950	3.8
85.02904	35.9
87.00840	11.6
91.05499	12.9
93.07038	35.2
95.04967	17.3
95.08614	11.5
97.02906	12.6
97.06516	7.6
99.04459	5.5
103.03955	4.1
105.01866	8.4
105.07007	22.3
107.04976	31.2
107.08601	21.9
109.02897	7.7
109.06541	15.3
109.10161	13.0
111.04440	11.5
111.08089	5.2
115.05466	6.6
117.07018	7.6
119.04948	3.2
119.08601	29.5
121.06515	13.8
121.10145	21.5
123.04427	12.3
123.11742	4.8
124.05200	7.9
125.05973	10.2
127.03934	12.5
129.01843	7.6
129.07013	9.9
131.08575	17.7
133.06511	6.1
133.10135	9.9
135.04437	5.9
135.11713	8.8
137.05998	5.0
137.09644	8.2
137.13252	4.4
141.07034	6.3
142.07843	4.4
143.08559	4.5
144.05707	6.3
145.02858	5.1
145.06473	9.1
145.10139	29.3
147.02904	4.2
147.04373	5.4
147.08189	4.8
147.11710	15.7
149.05983	9.1
149.13257	7.6
151.07527	18.7
152.04709	4.6
153.12773	5.2
156.05695	9.6
157.10106	7.9
159.08081	13.8
159.11711	14.4
161.09583	3.5
163.03899	28.1
163.07603	5.3
163.11211	5.5
164.04224	4.4
167.07040	86.6
167.08379	5.2
168.07407	4.6
171.08139	3.7
173.06000	6.2
173.09613	5.0
175.11328	6.0
181.04924	9.2
186.06761	4.2
187.07597	11.4
187.11217	3.8
189.03951	6.6
191.07031	4.2
201.09085	4.4
201.12810	7.7
205.06764	4.0
205.08643	12.7
207.06389	4.2
207.08203	5.1
208.05237	20.0
217.08554	31.2
219.08226	7.5
219.10075	5.5
219.13692	5.3
220.08865	5.4
221.05893	4.3
221.19142	6.7
225.12830	5.6
226.06650	4.3
229.08714	4.4
231.05013	3.9
231.07936	5.1
233.09677	5.7
236.04796	5.7
236.08316	3.9
243.13805	16.6
245.09766	5.2
247.07558	10.7
247.09685	18.9
248.08408	10.5
249.09105	5.5
254.05745	9.5
261.09119	7.7
261.14896	11.6
263.10669	8.0
264.07870	10.4
269.08096	25.5
271.09702	4.1
272.06870	3.9
275.07098	8.5
275.33221	3.7
276.07938	8.7
277.08438	4.4
279.10092	11.0
282.08847	13.1
291.10178	12.0
292.07404	7.8
293.08130	9.7
294.05884	3.7
299.09232	5.3
300.09833	6.4
301.06882	3.7
307.09381	10.7
308.10373	7.1
310.08395	10.0
311.09073	3.6
311.12650	5.6
315.08615	75.9
316.08936	5.9
319.09558	6.5
321.07562	5.8
323.12769	14.4
325.10153	7.2
330.10983	100.0
331.11807	17.7
336.09811	4.4
337.10657	5.8
339.12204	9.5
343.11639	17.1
351.12244	20.2
352.13110	5.3
353.10349	7.8
356.12344	4.0
365.15839	8.0
368.12592	7.0
369.13455	4.8
371.14954	5.9
383.14838	71.5
401.16293	32.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2837
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	16.7
57.07069	16.7
67.05489	33.1
69.03420	12.3
69.07063	20.1
70.98412	17.2
70.98767	7.9
71.04972	13.2
73.38905	6.9
79.05479	26.4
81.03413	8.4
81.07050	48.2
82.09827	7.7
83.08621	10.5
83.13453	7.2
91.05486	53.7
93.07034	63.5
95.04972	12.1
95.08603	46.4
97.02843	10.4
99.04481	6.7
105.07029	100.0
107.04951	11.6
107.08578	53.2
109.06512	68.1
109.10177	20.6
115.05428	8.8
117.07007	27.6
119.08589	84.7
121.10159	24.7
127.03944	11.0
128.06224	14.8
129.06989	23.0
130.07779	10.7
131.08568	78.0
132.67206	7.2
133.10117	93.2
135.08081	17.9
135.11732	21.7
142.07758	36.8
143.08572	56.9
144.09340	10.5
145.10109	99.4
147.08086	9.1
147.11697	22.5
149.09544	12.4
155.08591	18.0
156.09375	19.0
157.10138	64.8
158.10898	11.3
159.11720	27.8
167.07050	15.3
167.08495	13.3
169.10143	20.9
170.10910	8.4
171.11681	32.4
172.12450	10.0
173.13245	45.5
175.14819	20.6
179.08609	17.8
181.10149	13.7
182.10985	10.3
182.22458	7.3
183.11700	23.0
185.13182	19.2
187.14793	49.3
193.10170	8.7
194.10931	14.4
195.11710	26.4
196.12442	11.6
197.13245	18.0
199.14793	23.9
201.12822	8.8
207.11751	12.2
208.12314	10.6
209.13301	22.6
211.14899	13.7
213.12489	7.3
221.13280	15.8
225.16321	8.4
239.23720	9.2
261.16406	11.0
263.02762	8.5
263.18170	11.1
263.39249	7.7
265.19540	12.9
275.63391	9.2
330.11087	9.2
401.17850	14.2
401.28351	35.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1807
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47065	3.7
55.01865	7.3
55.05507	7.4
56.96564	5.6
57.03448	6.2
57.07058	3.5
65.03948	6.5
67.05492	11.2
69.03434	25.3
69.07058	10.8
70.17907	18.1
70.51223	3.7
71.01273	3.8
71.04984	15.9
71.05322	3.4
79.05495	24.5
81.03428	15.1
81.07059	29.1
83.04979	9.6
84.42950	3.8
85.02904	35.9
87.00840	11.6
91.05499	12.9
93.07038	35.2
95.04967	17.3
95.08614	11.5
97.02906	12.6
97.06516	7.6
99.04459	5.5
103.03955	4.1
105.01866	8.4
105.07007	22.3
107.04976	31.2
107.08601	21.9
109.02897	7.7
109.06541	15.3
109.10161	13.0
111.04440	11.5
111.08089	5.2
115.05466	6.6
117.07018	7.6
119.04948	3.2
119.08601	29.5
121.06515	13.8
121.10145	21.5
123.04427	12.3
123.11742	4.8
124.05200	7.9
125.05973	10.2
127.03934	12.5
129.01843	7.6
129.07013	9.9
131.08575	17.7
133.06511	6.1
133.10135	9.9
135.04437	5.9
135.11713	8.8
137.05998	5.0
137.09644	8.2
137.13252	4.4
141.07034	6.3
142.07843	4.4
143.08559	4.5
144.05707	6.3
145.02858	5.1
145.06473	9.1
145.10139	29.3
147.02904	4.2
147.04373	5.4
147.08189	4.8
147.11710	15.7
149.05983	9.1
149.13257	7.6
151.07527	18.7
152.04709	4.6
153.12773	5.2
156.05695	9.6
157.10106	7.9
159.08081	13.8
159.11711	14.4
161.09583	3.5
163.03899	28.1
163.07603	5.3
163.11211	5.5
164.04224	4.4
167.07040	86.6
167.08379	5.2
168.07407	4.6
171.08139	3.7
173.06000	6.2
173.09613	5.0
175.11328	6.0
181.04924	9.2
186.06761	4.2
187.07597	11.4
187.11217	3.8
189.03951	6.6
191.07031	4.2
201.09085	4.4
201.12810	7.7
205.06764	4.0
205.08643	12.7
207.06389	4.2
207.08203	5.1
208.05237	20.0
217.08554	31.2
219.08226	7.5
219.10075	5.5
219.13692	5.3
220.08865	5.4
221.05893	4.3
221.19142	6.7
225.12830	5.6
226.06650	4.3
229.08714	4.4
231.05013	3.9
231.07936	5.1
233.09677	5.7
236.04796	5.7
236.08316	3.9
243.13805	16.6
245.09766	5.2
247.07558	10.7
247.09685	18.9
248.08408	10.5
249.09105	5.5
254.05745	9.5
261.09119	7.7
261.14896	11.6
263.10669	8.0
264.07870	10.4
269.08096	25.5
271.09702	4.1
272.06870	3.9
275.07098	8.5
275.33221	3.7
276.07938	8.7
277.08438	4.4
279.10092	11.0
282.08847	13.1
291.10178	12.0
292.07404	7.8
293.08130	9.7
294.05884	3.7
299.09232	5.3
300.09833	6.4
301.06882	3.7
307.09381	10.7
308.10373	7.1
310.08395	10.0
311.09073	3.6
311.12650	5.6
315.08615	75.9
316.08936	5.9
319.09558	6.5
321.07562	5.8
323.12769	14.4
325.10153	7.2
330.10983	100.0
331.11807	17.7
336.09811	4.4
337.10657	5.8
339.12204	9.5
343.11639	17.1
351.12244	20.2
352.13110	5.3
353.10349	7.8
356.12344	4.0
365.15839	8.0
368.12592	7.0
369.13455	4.8
371.14954	5.9
383.14838	71.5
401.16293	32.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1804
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	0.8
53.03940	2.7
55.01860	3.2
55.05507	2.2
56.83713	0.7
57.03432	2.0
58.26129	0.7
59.04993	3.0
61.02917	2.3
65.03923	0.8
65.94251	0.6
67.05495	2.7
68.99788	2.0
69.03426	14.1
69.07104	1.0
70.06588	0.8
71.05017	1.5
71.13432	0.6
71.58817	0.8
72.08145	1.1
73.02916	1.7
79.05489	3.2
81.03410	7.8
81.07053	5.6
83.04976	4.4
85.02896	19.5
86.09696	4.3
87.00819	6.6
87.04474	1.6
91.05473	17.2
93.07039	100.0
94.07384	2.0
95.04963	7.3
95.08606	21.4
97.02881	10.1
97.06447	0.7
99.04461	3.6
103.03966	1.3
103.05460	1.1
105.01856	4.4
105.04495	1.1
105.07024	13.3
106.07291	0.8
107.04945	1.5
107.08591	26.7
109.02870	7.3
109.06527	1.1
109.10165	0.8
111.04442	8.6
115.03909	1.3
117.07018	2.1
119.04919	1.8
119.08588	6.5
121.06521	1.0
121.10143	2.1
123.04439	0.9
127.03909	11.7
128.06221	1.7
129.01811	3.5
129.05489	2.4
129.06996	2.4
130.41762	0.6
131.08568	8.3
133.06502	0.9
133.10130	2.5
135.08067	2.1
135.11688	28.5
136.12013	1.1
137.05980	0.8
137.09666	1.2
137.13219	1.0
141.07004	0.8
142.07782	6.5
143.08572	8.0
145.04962	2.7
145.06456	0.9
145.10123	3.1
147.02887	1.7
147.04416	3.0
147.08038	2.9
147.11670	2.7
149.09599	1.4
151.11238	0.8
152.06219	0.7
153.12778	3.3
155.08548	1.5
157.10133	11.0
159.02888	2.6
159.08043	3.0
159.11681	1.5
161.09619	3.0
163.11177	1.2
165.12772	2.7
167.07132	1.2
167.08580	5.8
170.07294	0.9
175.11200	2.4
177.09148	0.9
183.07973	0.9
185.09610	13.6
189.03932	1.1
201.03900	1.8
201.09059	1.4
203.10655	12.6
215.05522	3.3
221.11711	7.5
231.05051	5.2
239.12733	0.8
243.13808	1.9
249.06062	1.4
257.08243	0.8
261.14853	2.1
279.16003	0.8
289.10718	1.3
307.11765	5.4
325.12869	4.0
330.10834	0.9
347.14923	1.2
365.16034	2.5
383.17303	0.8
401.15710	6.3
401.21033	1.3
401.28629	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	401.1807
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47065	3.7
55.01865	7.3
55.05507	7.4
56.96564	5.6
57.03448	6.2
57.07058	3.5
65.03948	6.5
67.05492	11.2
69.03434	25.3
69.07058	10.8
70.17907	18.1
70.51223	3.7
71.01273	3.8
71.04984	15.9
71.05322	3.4
79.05495	24.5
81.03428	15.1
81.07059	29.1
83.04979	9.6
84.42950	3.8
85.02904	35.9
87.00840	11.6
91.05499	12.9
93.07038	35.2
95.04967	17.3
95.08614	11.5
97.02906	12.6
97.06516	7.6
99.04459	5.5
103.03955	4.1
105.01866	8.4
105.07007	22.3
107.04976	31.2
107.08601	21.9
109.02897	7.7
109.06541	15.3
109.10161	13.0
111.04440	11.5
111.08089	5.2
115.05466	6.6
117.07018	7.6
119.04948	3.2
119.08601	29.5
121.06515	13.8
121.10145	21.5
123.04427	12.3
123.11742	4.8
124.05200	7.9
125.05973	10.2
127.03934	12.5
129.01843	7.6
129.07013	9.9
131.08575	17.7
133.06511	6.1
133.10135	9.9
135.04437	5.9
135.11713	8.8
137.05998	5.0
137.09644	8.2
137.13252	4.4
141.07034	6.3
142.07843	4.4
143.08559	4.5
144.05707	6.3
145.02858	5.1
145.06473	9.1
145.10139	29.3
147.02904	4.2
147.04373	5.4
147.08189	4.8
147.11710	15.7
149.05983	9.1
149.13257	7.6
151.07527	18.7
152.04709	4.6
153.12773	5.2
156.05695	9.6
157.10106	7.9
159.08081	13.8
159.11711	14.4
161.09583	3.5
163.03899	28.1
163.07603	5.3
163.11211	5.5
164.04224	4.4
167.07040	86.6
167.08379	5.2
168.07407	4.6
171.08139	3.7
173.06000	6.2
173.09613	5.0
175.11328	6.0
181.04924	9.2
186.06761	4.2
187.07597	11.4
187.11217	3.8
189.03951	6.6
191.07031	4.2
201.09085	4.4
201.12810	7.7
205.06764	4.0
205.08643	12.7
207.06389	4.2
207.08203	5.1
208.05237	20.0
217.08554	31.2
219.08226	7.5
219.10075	5.5
219.13692	5.3
220.08865	5.4
221.05893	4.3
221.19142	6.7
225.12830	5.6
226.06650	4.3
229.08714	4.4
231.05013	3.9
231.07936	5.1
233.09677	5.7
236.04796	5.7
236.08316	3.9
243.13805	16.6
245.09766	5.2
247.07558	10.7
247.09685	18.9
248.08408	10.5
249.09105	5.5
254.05745	9.5
261.09119	7.7
261.14896	11.6
263.10669	8.0
264.07870	10.4
269.08096	25.5
271.09702	4.1
272.06870	3.9
275.07098	8.5
275.33221	3.7
276.07938	8.7
277.08438	4.4
279.10092	11.0
282.08847	13.1
291.10178	12.0
292.07404	7.8
293.08130	9.7
294.05884	3.7
299.09232	5.3
300.09833	6.4
301.06882	3.7
307.09381	10.7
308.10373	7.1
310.08395	10.0
311.09073	3.6
311.12650	5.6
315.08615	75.9
316.08936	5.9
319.09558	6.5
321.07562	5.8
323.12769	14.4
325.10153	7.2
330.10983	100.0
331.11807	17.7
336.09811	4.4
337.10657	5.8
339.12204	9.5
343.11639	17.1
351.12244	20.2
352.13110	5.3
353.10349	7.8
356.12344	4.0
365.15839	8.0
368.12592	7.0
369.13455	4.8
371.14954	5.9
383.14838	71.5
401.16293	32.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1804
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	12.7
55.01874	20.0
55.05515	21.8
57.03425	13.8
57.07068	10.8
58.06594	6.7
59.04989	5.8
61.02921	15.3
67.05513	33.8
68.99786	16.2
69.03427	73.3
69.06721	4.8
69.07071	57.7
69.69954	15.1
69.70379	14.3
70.06572	3.6
71.01361	4.7
71.04993	58.8
71.47693	3.8
72.08154	15.7
73.02917	11.8
79.05490	44.5
81.03420	60.6
81.07056	78.6
83.04977	11.7
83.08603	19.8
85.02905	93.8
85.06561	5.3
86.09708	8.5
87.00827	36.0
91.05475	45.6
93.07037	56.9
95.04958	33.6
95.08607	36.1
97.02877	46.1
97.06509	11.2
99.04457	11.0
99.08097	18.0
103.03923	17.3
103.05483	5.4
105.01888	21.3
105.07025	49.8
107.04952	41.3
107.08585	57.7
108.15830	3.8
109.02881	33.5
109.06512	100.0
109.10154	63.4
111.04431	11.5
113.05919	6.0
115.03927	21.5
115.05470	6.7
117.07026	16.9
119.04953	8.4
119.08587	67.4
121.06499	42.2
121.10133	20.1
123.04432	12.7
123.08052	21.5
123.11732	22.5
124.05240	5.8
125.06007	6.8
125.09660	5.4
125.13264	10.9
127.03923	40.2
127.11179	11.2
128.06219	10.2
128.07101	4.7
128.37054	4.2
129.01849	20.9
129.06996	16.4
130.07759	7.1
131.04900	6.6
131.08542	34.2
133.06496	12.1
133.10138	20.4
135.04510	5.2
135.08061	17.7
135.11676	52.8
137.05971	10.5
137.09634	21.4
137.13235	10.6
139.03854	5.2
139.11116	5.3
142.07742	5.0
143.08553	18.3
145.04924	6.3
145.06490	7.5
145.10135	28.6
147.02869	5.4
147.04424	6.3
147.08040	24.8
147.11714	16.2
149.05994	5.6
149.09607	11.1
151.07538	8.4
151.11188	16.8
153.12729	24.2
155.08545	10.9
155.10612	4.4
156.05688	9.2
157.06422	5.4
157.10193	9.7
158.07233	5.8
159.02870	7.4
159.08076	24.2
159.11691	12.1
161.05983	5.1
161.09663	4.4
161.13266	5.1
163.03940	8.1
163.11205	10.9
165.12756	26.7
167.07048	58.6
171.02771	4.0
171.08061	11.1
171.11627	5.1
173.09631	41.8
173.13158	6.2
175.07544	11.3
175.11121	9.4
177.12772	44.7
179.06987	4.3
179.14281	6.0
181.05019	23.5
183.08063	6.3
183.11775	4.2
187.07593	10.7
187.11116	4.9
189.03970	15.5
189.09103	11.4
189.12709	8.4
191.08844	6.3
191.10689	23.3
191.14273	6.6
193.12253	14.5
195.06461	5.2
195.13818	57.1
197.13414	4.6
201.03979	9.5
201.09192	7.0
201.12762	12.0
203.10550	4.8
203.14072	4.3
205.06589	5.2
205.08496	7.0
205.10265	5.1
205.12207	5.5
207.06503	6.0
207.13884	8.0
209.11732	6.5
215.14316	6.3
217.08607	24.0
219.08063	17.6
219.10069	8.6
219.13698	18.8
220.08548	5.2
225.12717	4.8
229.08661	6.8
229.57492	3.8
231.04987	15.6
231.08128	6.5
233.09729	5.6
233.15349	9.0
235.11111	4.3
237.14809	26.2
243.13800	35.6
247.07535	14.6
247.09627	8.8
248.08377	14.4
254.05695	6.1
254.65015	4.3
261.14844	52.0
263.06866	4.7
263.10709	7.2
264.07822	13.6
265.08453	5.4
269.07990	9.1
276.07910	10.1
277.08588	6.7
278.05795	7.0
279.10065	10.3
279.15970	7.1
288.49783	4.1
291.10120	19.5
292.07361	6.4
293.08078	11.7
294.08694	5.4
307.09531	12.6
308.10483	11.4
311.12729	5.7
315.08621	26.1
319.09778	5.9
323.12869	13.4
330.10953	37.1
331.11749	13.8
335.09097	4.6
337.10724	9.8
339.12326	10.3
347.14795	11.6
351.12228	18.2
353.10031	9.5
365.15994	17.3
368.12558	13.5
371.14920	9.0
383.14676	85.9
384.15244	6.5
401.16690	20.1
419.11035	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	401.1805
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	2.7
55.01877	3.2
55.05500	7.8
65.40314	2.7
66.29228	2.5
67.05505	3.6
69.03424	15.6
69.07069	12.8
69.95193	15.5
71.04985	14.5
74.95108	2.7
79.05486	20.1
81.03407	11.4
81.07057	22.8
85.02889	13.0
87.00832	5.9
91.05488	11.8
93.07063	15.9
95.04964	12.0
95.08597	7.7
97.02880	13.0
99.04475	4.4
105.01815	3.5
105.07021	13.4
107.04963	30.0
107.08588	10.7
109.02887	8.1
109.06541	27.1
109.10149	9.3
117.07001	5.3
119.08578	12.1
121.06489	9.4
121.10143	4.6
123.04446	3.4
123.11675	3.0
127.03928	8.1
127.11174	4.0
128.06161	3.2
129.07025	7.0
131.08536	12.8
133.10089	4.3
135.08041	4.0
135.11690	7.3
137.09581	3.6
141.06963	5.5
144.05705	8.3
145.06447	4.4
145.10098	5.0
147.08054	4.6
153.12735	6.6
156.05713	10.0
159.08070	11.8
161.05963	3.2
165.06987	5.4
165.12643	3.8
167.07043	56.1
173.09639	8.6
175.07599	6.6
177.12703	6.5
179.07082	3.6
181.04964	3.3
181.06512	3.0
184.05186	3.6
187.07549	7.7
187.11140	3.3
191.10678	5.3
193.06544	2.9
193.08701	3.8
195.13853	11.3
201.09076	5.4
202.07912	3.4
203.08580	3.2
204.07616	3.6
205.06447	3.4
205.08563	9.1
208.05118	7.4
208.08937	4.6
217.08598	24.8
218.07236	5.9
219.08038	16.7
219.10100	7.0
220.08762	6.9
221.05937	4.5
229.08609	10.7
229.10779	3.2
231.04958	3.6
231.08072	5.7
234.06656	4.0
235.07602	5.1
236.04762	3.6
236.08295	4.7
238.06131	4.2
243.13821	7.9
247.07465	13.1
247.09682	16.8
248.08266	9.9
249.05420	3.8
250.06250	3.5
259.07529	4.0
261.09280	4.4
261.14847	10.9
262.09857	4.1
263.07037	5.5
263.10693	6.2
264.07724	7.8
265.08566	6.5
269.08023	9.8
271.09528	4.7
275.06949	7.5
276.07791	10.3
277.05463	3.3
277.08398	6.0
279.10138	11.6
290.09525	4.5
291.10092	12.7
292.07214	7.2
293.08057	12.2
307.09641	14.3
308.10474	7.0
315.08612	30.0
319.09531	8.1
321.07629	4.0
321.11185	3.2
323.12839	9.6
330.10977	26.9
331.11688	10.0
336.09781	5.6
337.10724	11.3
339.12234	14.6
351.12369	15.4
352.12427	3.1
353.10321	9.7
364.33636	3.1
368.12393	11.2
371.15106	3.9
383.14825	100.0
384.15213	6.7
401.16144	12.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1594
Annotation	Gomisin R
Peak:m/z	Relative Intensity
65.03949	1.6
65.52322	1.3
69.75911	2.3
69.76318	6.0
71.04985	2.8
78.04688	1.4
79.05482	10.6
81.07051	3.1
85.02885	2.5
90.02111	1.4
91.05490	6.8
93.07053	1.9
95.04948	3.3
97.06506	1.3
103.05448	3.3
104.58644	1.2
105.07030	2.6
106.04155	1.5
107.04954	26.0
115.05455	2.5
116.06226	1.7
117.07009	2.0
121.06507	1.3
122.03642	1.8
123.04380	2.1
124.05186	4.9
125.05978	2.2
127.34211	1.2
128.06177	2.9
129.07001	3.7
131.04929	3.7
131.08594	7.6
133.06474	2.5
133.10130	1.4
135.04422	1.8
137.05978	1.6
141.07004	3.0
144.05711	4.7
145.06512	5.5
147.04431	3.0
148.05136	1.3
149.05890	2.5
151.03934	4.0
152.04694	3.9
153.05516	2.5
156.05669	10.5
157.06508	2.1
159.08047	12.6
161.05986	4.0
163.03896	8.6
165.06960	2.9
167.07034	88.1
168.07378	2.3
169.07626	1.4
172.05188	2.2
173.05978	6.0
174.06743	1.5
177.05450	3.0
179.07036	2.8
181.04959	15.2
181.06371	2.3
181.08586	3.1
183.08275	1.3
186.06740	3.5
187.07547	7.5
189.05487	2.7
190.06218	2.6
191.07022	4.0
191.08626	1.9
193.06535	2.1
195.06628	2.4
197.06003	2.3
197.08095	1.8
202.06198	3.2
202.07816	2.1
203.08673	2.7
205.06700	2.8
205.08554	14.9
207.06523	6.7
207.10008	1.6
208.05208	21.2
208.08868	1.7
209.06140	1.7
209.08020	2.7
211.07547	1.7
214.06253	1.6
217.08582	28.8
217.10619	2.2
218.07292	2.3
219.08055	9.9
219.10121	4.6
220.08954	3.4
221.05983	5.1
221.09622	1.4
224.04707	2.5
225.05405	1.7
229.08618	4.9
231.08131	7.0
231.10112	1.8
232.08907	2.5
233.05923	3.3
233.09648	3.1
234.06818	2.0
235.07524	3.5
236.04622	7.9
236.08305	4.6
237.05151	1.4
237.09085	1.6
238.06305	2.6
239.07048	1.6
240.04115	3.9
241.08656	1.7
245.09645	3.0
246.06714	1.8
247.07460	8.8
247.09694	17.4
248.08351	9.1
249.05482	1.9
249.09076	2.9
250.06242	2.6
251.10652	3.9
254.05760	5.9
255.06242	1.4
256.07217	1.7
257.04507	2.2
259.07559	2.2
260.08438	2.4
261.09097	4.3
262.09872	4.3
263.07138	2.7
263.10645	7.2
264.04608	1.4
264.07761	4.9
265.08585	3.6
266.05707	1.7
267.06598	5.7
268.03619	3.0
269.08069	22.2
271.06073	1.5
271.09677	7.5
272.06848	3.2
275.06961	6.5
276.07718	5.4
277.05365	1.3
277.08664	4.2
279.07272	1.2
279.10208	8.7
282.05432	2.3
282.08844	13.7
285.07599	2.2
287.09158	3.6
288.89691	1.3
289.08774	1.3
290.09390	5.5
291.10104	13.0
292.07266	4.3
292.10498	1.6
293.08130	7.2
294.08777	1.7
297.07556	1.7
299.09143	5.1
300.06216	3.6
300.09625	2.0
301.07047	4.1
305.08112	3.6
307.09515	9.1
308.10635	6.1
309.07578	1.4
309.10931	2.2
310.08441	6.1
311.12814	1.9
315.08609	79.4
316.09091	4.8
319.09671	5.8
321.07642	3.4
322.08701	1.9
323.09241	1.9
323.12802	12.1
324.10004	2.1
325.10922	1.6
328.09515	6.6
330.10953	100.0
331.11670	16.7
335.08932	1.8
336.09818	5.1
337.10632	8.8
339.12241	9.3
343.11725	16.4
345.13223	2.0
350.11551	1.7
351.12271	30.0
352.12912	4.7
353.10229	5.9
356.12497	3.8
368.12421	6.9
369.13242	6.1
371.14890	8.9
373.12820	9.9
373.16791	1.9
383.14886	68.1
384.15158	3.1
401.12036	11.5
401.16687	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	401.1594
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02351	1.6
58.53400	1.2
67.49998	1.2
70.81581	4.6
71.04974	3.2
79.05474	7.7
81.07046	2.5
83.09206	1.2
85.02898	3.9
91.05473	4.3
95.04942	3.5
98.67649	1.3
103.05481	3.4
104.21952	1.5
105.57014	1.3
106.04174	1.9
107.04955	24.9
115.05444	4.2
117.06988	2.6
121.06473	2.5
123.04401	4.0
124.05192	4.5
125.05998	4.1
128.06241	1.8
129.06999	5.0
131.04883	2.0
131.08548	5.9
133.06482	2.5
133.08350	1.3
135.04379	2.6
141.06958	2.0
144.05675	5.8
145.06425	5.6
147.04388	1.5
147.49619	1.4
151.03885	3.9
151.82018	1.3
152.04659	3.6
153.05452	3.4
156.05666	8.5
157.06470	1.5
159.08014	9.1
161.05977	2.9
163.03926	7.3
167.07031	80.6
168.07417	1.7
170.07399	1.6
173.05930	4.2
175.07503	2.4
179.07008	1.9
181.04979	10.8
181.08580	2.7
182.07225	1.9
184.05196	2.3
186.06659	2.2
187.07475	5.6
190.06281	3.2
191.07018	2.0
191.08667	1.5
193.08574	2.5
195.06497	3.2
202.06271	3.4
202.07838	2.2
203.06929	2.0
205.06685	2.3
205.08546	17.2
207.06432	5.3
208.05180	19.6
209.08020	1.6
210.06738	2.0
211.07579	2.6
217.08568	24.4
218.07265	3.5
219.08038	13.4
219.10234	4.3
220.08865	4.4
221.05956	6.3
225.05475	1.6
229.08635	2.7
231.08110	6.6
231.10129	2.5
232.08826	2.0
233.09653	3.5
234.06787	3.5
235.07536	2.5
236.04710	6.5
236.08331	3.7
237.09198	3.0
239.06929	2.2
240.04225	1.9
241.08574	1.7
245.09642	2.6
245.95419	1.4
246.06699	1.9
247.07497	9.9
247.09668	17.4
248.08308	9.6
249.09032	4.8
250.06062	1.9
251.07120	1.7
251.10802	2.4
254.05789	8.6
255.06421	3.6
259.07462	2.9
261.09137	5.0
262.09860	4.6
263.06985	2.6
263.10730	7.7
264.07840	5.8
265.08725	3.7
266.05624	2.1
267.06543	5.5
268.03644	2.8
269.08060	22.2
271.06711	1.5
271.09561	8.1
272.06805	4.3
275.07059	6.0
276.07806	7.9
277.08521	5.7
278.05750	1.9
279.06723	1.5
279.10220	8.8
281.08115	1.8
282.05234	4.7
282.08829	10.8
287.09131	3.4
289.08484	2.6
290.09329	5.2
291.10153	12.5
292.07297	3.1
293.08167	7.3
297.07452	2.2
299.09171	4.2
300.06430	2.3
301.06979	4.0
304.06888	1.6
305.08224	1.7
306.08621	2.5
307.09616	8.8
308.10385	3.8
309.11118	1.9
310.08356	5.8
311.12747	3.6
313.07098	1.8
315.08603	83.4
316.09320	1.6
319.09598	7.2
320.10474	2.8
321.07507	4.0
321.11050	3.0
323.09180	2.1
323.12698	13.5
325.10626	2.4
328.09369	4.9
330.10965	100.0
331.11560	11.9
336.09888	4.4
337.10660	5.9
339.12354	8.1
341.09781	2.1
343.11752	20.1
351.12296	28.1
352.12903	4.4
353.10117	5.8
356.12198	3.7
368.12616	8.7
369.13116	4.8
371.14819	4.3
373.12692	4.8
383.14886	69.5
384.15036	4.2
401.12030	7.5
401.16650	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	401.1593
Annotation	Gomisin R
Peak:m/z	Relative Intensity
54.85037	1.7
69.03420	3.4
70.06588	4.5
70.95423	3.3
79.05489	14.7
81.07046	1.7
81.41008	1.7
83.21683	2.0
85.02897	3.1
86.09684	3.2
91.05460	5.6
93.07021	3.4
95.04964	4.8
97.43486	2.0
107.04951	30.8
115.05472	1.9
116.06244	2.0
117.07006	3.2
121.06564	1.8
123.04472	3.1
124.05245	4.7
125.05967	1.9
128.06218	2.8
129.07001	7.6
131.08566	8.1
135.11679	2.0
137.05951	2.7
141.07037	4.7
144.05699	7.0
145.06459	5.0
152.04707	4.1
156.05679	12.6
157.06459	4.5
158.07249	3.0
159.08067	15.7
161.06010	2.8
163.03943	5.3
167.07034	94.3
169.06430	2.8
173.05988	3.3
177.05534	1.9
181.04950	3.9
186.06677	5.8
187.07532	10.8
189.07080	2.2
190.07835	3.0
191.07076	2.9
193.08545	2.0
195.06453	2.7
201.09065	3.3
202.06207	5.2
202.07858	3.7
203.08598	2.5
205.06674	3.5
205.08571	10.7
207.06505	4.0
208.05217	15.3
211.07401	2.6
215.06921	3.6
217.08556	31.5
218.07208	4.5
219.08020	11.6
219.10194	9.5
220.08810	6.6
221.05942	2.9
229.08656	8.2
230.07272	2.9
231.08008	5.4
233.09547	4.4
234.06717	3.2
235.07539	3.8
235.11136	2.6
236.04710	5.2
236.08252	4.5
240.04210	2.0
241.08569	2.1
245.09921	2.2
246.06659	3.0
247.07484	10.6
247.09686	23.2
248.08340	13.6
249.09128	4.5
251.10704	3.1
254.05769	6.8
255.06339	3.4
256.07364	2.0
257.04343	2.1
259.07578	4.4
260.08124	2.9
261.05688	1.7
261.09174	5.3
262.06268	2.3
262.09875	3.7
263.07010	4.4
263.10559	8.6
264.07785	11.6
265.08591	5.9
267.06580	5.7
269.08066	18.1
271.09634	6.4
272.06738	4.8
275.07034	7.1
276.07739	9.6
277.08496	4.6
278.05649	2.3
279.06357	2.4
279.10165	9.2
280.10941	2.7
281.08069	3.5
282.05411	2.8
282.08792	7.9
287.09280	2.9
289.08383	2.0
290.09335	3.2
291.06964	2.8
291.10086	18.2
292.07236	6.8
292.10645	3.4
293.08023	6.9
294.08807	2.8
296.10324	2.4
299.09207	5.3
301.07043	2.8
304.07410	2.7
305.07886	3.4
307.09564	10.1
308.10388	8.4
310.08368	2.7
311.09149	2.2
311.12585	4.8
313.10794	2.2
313.59091	2.0
315.05139	3.9
315.08624	55.4
316.09082	2.5
319.09766	9.1
320.10553	2.7
321.07471	5.0
322.11899	2.1
323.12714	14.6
328.09314	2.9
330.10986	82.1
331.11652	14.3
336.10007	5.2
337.10599	7.8
339.12289	15.3
343.11792	10.2
351.12274	29.6
352.12933	4.6
353.10168	8.9
356.12399	4.0
368.12531	11.9
369.13150	4.9
371.14816	10.1
383.14874	100.0
384.15277	7.3
401.15933	22.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1592
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	3.1
58.06608	6.2
65.03947	2.2
69.03432	8.7
71.04996	2.8
71.22989	4.7
79.05500	19.4
81.03420	3.8
81.07053	8.3
85.02924	4.1
85.53626	2.1
91.05482	7.8
93.07047	5.8
95.04956	6.2
97.02881	2.2
105.07024	3.3
107.04957	34.5
109.02870	2.9
109.06509	2.6
115.05447	4.4
117.07001	3.1
119.08585	3.3
121.06539	3.6
123.04415	4.6
124.05186	6.2
125.05966	4.2
128.06215	3.8
129.06972	5.2
131.08580	8.0
135.11656	5.2
137.06033	2.0
139.03816	2.1
141.07019	5.2
144.05705	8.2
145.06467	2.4
147.04395	3.8
149.05954	2.4
152.04651	4.1
153.12704	3.7
156.05731	9.2
157.06453	3.3
158.07297	2.4
159.08055	16.5
161.06038	2.2
163.03925	2.5
167.07045	96.8
169.06490	4.0
174.06668	2.1
175.05032	3.5
177.05481	2.4
181.04941	11.3
181.08632	3.2
184.05229	2.6
186.06776	2.9
187.07523	12.6
189.06932	3.5
190.06218	2.6
191.07039	3.1
191.08626	3.0
193.08511	2.4
200.12398	2.1
201.09026	2.9
202.06244	2.3
202.07997	2.8
203.08534	4.8
204.18788	1.9
205.08569	7.2
207.06497	6.4
208.05185	18.2
209.07991	2.5
210.06686	3.1
211.07654	2.5
215.06990	2.7
217.08577	28.8
218.07219	5.4
219.08066	14.7
219.10226	14.1
220.08720	4.9
221.06042	3.3
223.11195	2.4
225.09215	2.3
229.08669	9.2
231.08015	8.1
231.10129	3.1
233.09668	7.8
234.06810	2.3
234.10216	2.3
235.07628	3.1
236.04652	5.8
236.08392	6.8
237.09134	2.6
239.07021	3.5
241.08678	2.4
245.09641	3.8
247.07503	17.4
247.09592	15.7
248.08379	11.4
249.05559	4.2
249.09019	3.6
251.10669	5.1
252.82451	2.1
254.05754	9.1
255.06523	3.2
259.07480	2.6
260.08377	2.7
261.09128	5.7
262.09967	4.5
263.07016	4.5
263.10690	11.5
264.07715	10.5
265.08627	5.5
267.06613	5.0
268.03610	3.1
269.08014	22.7
271.09601	5.9
271.16519	2.0
272.06848	5.0
275.07077	8.1
276.07748	10.2
277.05072	2.5
277.08578	7.1
279.07434	1.8
279.10107	12.8
281.08081	4.0
282.05258	4.4
282.08932	5.7
289.08698	2.6
290.09338	6.1
291.10159	17.1
292.07367	7.0
293.08054	10.0
294.08655	2.3
299.09085	7.7
300.06366	3.6
301.07117	3.9
305.07907	2.2
307.09601	16.0
308.10376	6.9
310.08353	3.5
311.12885	2.7
315.08600	79.0
316.09119	2.4
319.09680	10.0
320.10388	3.5
321.07660	4.6
323.09131	3.1
323.12695	16.9
325.10712	4.8
327.08252	2.5
330.10977	92.8
331.11646	10.4
335.09286	2.9
336.10001	4.3
337.10730	9.2
338.07773	3.0
339.12219	15.9
343.11749	8.7
351.12296	21.2
352.12952	4.9
353.10101	10.9
356.12552	5.3
368.12589	14.3
369.13522	3.9
371.14709	11.2
383.14880	100.0
384.15155	4.4
401.15933	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	401.1594
Annotation	Gomisin R
Peak:m/z	Relative Intensity
50.96962	3.2
53.03913	2.9
58.06601	42.6
69.03422	4.1
70.08787	5.9
70.09197	11.1
78.04753	3.2
79.05487	14.2
85.02881	3.1
86.09693	3.9
91.05478	3.8
95.04959	2.8
98.21390	5.4
107.04967	26.5
107.08614	3.2
123.04447	4.9
124.05254	5.3
125.06023	3.4
129.07007	5.3
131.08572	4.0
144.05710	6.4
145.06473	3.7
151.07564	3.4
156.05702	11.3
157.06497	2.9
157.86702	2.8
159.08072	15.5
167.07037	63.3
170.07295	2.8
175.58876	2.9
181.04970	23.7
186.06718	4.1
187.07558	7.7
191.08498	3.5
201.09100	3.8
202.07906	3.7
205.06660	4.6
205.08618	10.0
207.06430	7.0
208.05157	8.4
208.08719	3.9
210.06667	4.5
217.08618	30.9
218.07236	8.1
219.08055	16.3
219.10175	8.4
220.08708	4.3
220.46304	3.1
221.05969	5.6
223.24649	2.8
229.08572	7.4
231.08066	7.1
233.09514	5.8
235.07544	6.3
236.04555	3.0
236.08328	5.9
247.07626	14.0
247.09503	14.6
248.08363	14.5
249.05487	6.2
251.10791	4.4
259.07513	4.5
261.09109	4.3
262.09824	4.5
263.07108	4.7
263.10574	9.3
264.07843	10.9
265.08624	9.0
269.08151	11.0
271.09677	5.5
275.07007	9.1
276.07825	9.3
277.05161	4.3
277.08493	4.6
279.07040	4.2
279.10019	15.3
289.08481	3.3
290.09409	6.2
291.10175	15.3
292.07269	4.8
293.08105	13.7
297.11102	4.0
299.09271	5.3
305.07968	4.2
305.11526	2.8
307.09625	14.4
308.10379	6.9
311.12839	3.4
315.08667	34.6
319.09576	8.0
321.07690	5.9
323.09027	6.0
323.12735	15.5
330.10950	43.1
331.11618	10.3
336.10046	3.7
337.10651	12.8
339.12292	12.3
339.58594	3.1
342.17206	5.1
351.12296	26.2
353.10074	12.1
356.12613	5.4
358.16324	4.0
368.12411	13.0
369.13092	2.9
371.14859	6.9
383.14908	100.0
384.15320	4.1
401.15894	20.8
401.20920	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	401.1595
Annotation	Gomisin R
Peak:m/z	Relative Intensity
53.03928	4.0
55.01874	3.5
55.05507	4.8
57.03405	3.6
61.29446	2.9
64.88339	2.9
67.05496	3.0
67.69558	2.7
69.03429	14.4
69.07067	15.1
69.34557	32.4
71.04981	13.6
72.61163	3.1
75.21065	2.7
79.05486	15.3
81.03400	9.0
81.07066	26.6
83.04976	2.9
83.08624	3.4
85.02917	16.7
87.00808	10.2
90.92188	3.0
91.05468	12.8
93.07024	11.6
95.04975	8.0
95.08591	5.2
97.02872	8.3
99.04438	4.5
99.08054	3.3
105.01854	3.4
105.07043	13.6
107.04958	27.6
107.08589	16.5
109.02911	4.2
109.06517	24.1
109.10149	13.1
115.03870	3.4
115.05483	3.1
119.08567	15.4
121.06490	11.9
121.34975	3.2
123.04398	6.0
123.08086	4.1
124.05207	4.2
125.06017	4.5
127.03899	8.8
127.11124	3.8
128.06169	3.3
129.06984	6.4
131.04840	3.1
131.08563	11.3
133.06546	4.7
133.10104	4.0
135.08058	4.9
135.11671	8.8
137.06047	2.7
137.09612	6.5
144.05667	7.4
145.10115	7.9
145.42128	3.2
147.08009	4.9
147.11678	3.4
149.09636	3.9
151.07539	4.1
151.11310	3.3
153.12718	5.5
156.05670	9.1
157.06453	3.9
159.08047	16.2
165.12784	3.4
167.07039	63.2
172.08661	3.1
173.09665	7.9
175.11186	4.2
177.12733	10.8
179.06976	3.0
182.07307	3.3
183.65518	2.9
185.47745	3.7
186.06790	4.5
187.07529	8.8
189.03891	3.8
191.10587	2.9
195.13759	11.2
202.06183	4.0
205.06642	3.7
205.08589	13.0
207.06503	4.4
208.05301	5.1
208.08911	3.7
217.08565	26.0
218.07224	4.9
219.08006	17.2
219.10133	8.7
219.13702	6.2
220.08804	7.3
221.06036	3.5
221.09500	4.2
229.08546	6.9
231.08038	3.9
233.09598	4.6
235.07553	3.8
236.08344	6.2
237.14783	5.8
243.13736	3.7
245.09679	4.1
247.07451	16.2
247.09732	9.7
248.08324	11.7
249.05325	4.2
249.09077	5.0
260.08325	4.4
261.09003	5.9
261.14835	9.8
262.06360	2.9
262.09900	6.1
263.06860	3.9
263.10669	10.2
264.07788	8.8
265.08615	3.9
269.08112	5.5
271.09622	6.4
275.06931	7.1
276.07806	6.5
279.10098	12.9
281.08099	5.0
283.09509	2.9
290.09253	5.2
291.10092	12.7
292.07364	5.2
293.08078	10.1
299.09247	5.1
307.09592	10.6
308.10425	7.8
310.08466	3.4
315.08521	22.2
319.09689	8.2
321.07382	6.4
322.11923	5.5
323.12799	13.0
325.10681	5.9
330.11118	28.3
331.11752	11.0
336.09805	5.3
337.10684	8.3
339.12384	15.3
351.12213	14.9
353.10095	8.7
356.12982	3.7
368.12509	14.2
371.14709	8.4
383.14835	100.0
401.15744	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	400.2091
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.6
55.01868	1.4
55.05509	13.3
57.03190	0.5
57.03439	7.2
57.07071	2.5
58.20406	0.5
59.04984	0.6
65.03934	0.8
67.05504	4.4
69.03409	1.1
69.07065	16.9
71.04983	2.3
71.08629	1.0
71.59364	0.5
73.06543	0.7
78.46872	0.5
79.05489	4.5
81.07054	7.9
83.04966	1.8
83.08615	19.0
85.02898	1.0
85.06548	1.3
91.05484	1.7
93.07039	7.0
95.04986	0.7
95.07126	0.5
95.08598	3.5
97.02839	0.7
97.06530	5.6
97.10160	4.6
98.98458	1.7
99.08102	0.7
99.45908	0.4
101.06023	0.9
105.07039	1.1
107.04942	1.3
107.08601	7.1
109.10156	3.6
111.08072	4.0
115.07568	0.7
119.08609	0.8
121.02859	5.4
121.06406	0.5
121.10123	3.5
123.11692	1.2
125.09631	2.2
125.13229	0.7
129.06949	0.5
135.11655	1.1
137.06000	0.5
147.04419	1.4
149.13252	11.4
151.03801	0.5
151.11189	0.5
155.01054	0.7
158.54073	0.4
159.04373	0.6
167.07042	3.1
167.14307	6.3
173.02142	0.6
185.15337	1.7
190.08304	0.5
191.03333	0.8
193.15927	0.6
203.03355	0.6
211.16968	1.2
217.08578	1.1
219.08035	0.6
228.19531	1.7
238.21693	0.7
241.18018	1.1
248.08539	0.5
257.04459	0.8
259.19043	100.0
260.19370	2.8
264.07971	0.5
265.08585	0.7
269.08069	0.7
275.07275	0.4
283.06021	0.6
287.05548	1.4
297.07669	2.4
299.05508	13.7
309.07510	0.8
311.05426	2.5
313.07126	2.8
315.08557	2.3
323.05518	1.0
323.12900	0.6
325.07083	7.2
329.06519	0.6
330.10941	2.2
337.07022	5.3
337.10648	0.7
339.15665	0.7
341.06647	1.0
343.11786	0.6
351.12375	0.5
353.06534	14.4
365.06528	4.5
382.19708	0.6
383.07565	11.5
383.14691	2.4
400.15332	0.9
400.20938	1.3
401.08661	9.3
401.16049	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1594
Annotation	Gomisin R
Peak:m/z	Relative Intensity
53.03949	3.0
55.01866	3.8
55.58395	1.7
57.03429	2.5
65.65608	1.5
67.05486	4.1
68.99776	1.9
69.03414	6.6
70.84930	6.3
79.05489	15.9
81.03407	4.3
81.07050	11.1
83.04956	2.7
85.02884	6.0
86.09691	3.1
91.05463	7.9
93.07038	7.3
95.04961	7.9
95.08604	3.7
97.02878	4.1
97.06494	2.4
99.04461	2.3
103.03963	1.7
103.05438	2.6
105.01878	2.2
105.07028	7.0
106.04190	1.8
107.04950	31.0
107.08583	4.6
109.02879	2.8
109.06501	4.9
109.10155	2.4
115.05431	4.8
116.06206	2.4
117.07040	2.8
119.04987	2.8
119.08563	8.5
121.06494	3.8
121.10143	2.6
123.04401	12.9
123.08035	2.1
124.05210	6.1
125.05991	4.7
127.03925	2.3
128.06239	3.3
129.06995	7.0
130.44998	1.7
131.08582	10.0
133.06430	1.8
133.10138	2.2
135.08029	2.3
135.11656	3.8
137.05945	3.1
141.06998	5.6
143.08527	2.0
144.05684	8.6
145.06470	4.4
145.10114	3.1
147.11725	2.3
151.07538	2.3
152.04683	5.3
153.05487	2.4
155.04959	1.7
155.08566	1.9
156.05643	11.6
157.06447	4.9
157.10091	2.4
158.07269	2.4
159.08041	15.3
159.11711	2.9
161.06012	2.7
163.03928	3.0
164.80212	1.9
165.06966	2.4
167.07042	100.0
169.06462	2.9
173.06020	2.3
175.07431	2.3
175.11180	2.6
177.05496	3.9
181.05043	5.6
182.07126	2.0
186.06740	4.5
187.07591	11.3
191.06938	2.6
191.08522	3.7
193.06511	2.1
194.07272	2.6
195.06528	2.6
197.08026	2.4
201.09088	2.3
202.06212	4.6
202.07843	3.9
203.08640	2.9
204.07745	2.6
205.06583	3.2
205.08588	7.0
207.06465	4.9
207.08250	2.6
208.05174	13.5
208.08879	2.1
209.06003	1.8
209.18375	2.0
210.06783	3.1
211.07597	3.8
215.07007	5.4
217.08586	42.4
218.07231	2.8
219.08020	12.0
219.09853	12.4
220.08847	5.0
221.05951	4.9
229.08630	8.1
230.07175	2.4
231.08159	9.5
231.10133	3.0
233.09589	5.9
234.06804	4.0
235.07500	5.1
236.04721	3.8
236.08377	5.0
237.09085	4.2
239.06960	2.3
240.04070	1.9
241.08694	3.0
245.09689	2.7
247.07454	13.6
247.09697	19.6
248.08321	13.1
249.05417	2.4
249.09012	3.8
251.06866	2.2
251.10590	3.0
254.05688	5.5
255.06477	2.6
259.07532	2.9
261.09067	5.2
262.06284	2.2
262.09763	5.7
263.07062	4.6
263.10620	10.0
264.07758	9.0
265.08618	7.4
267.06448	2.5
268.03732	1.9
269.08163	19.3
271.09622	6.7
272.06781	3.2
275.07022	7.8
276.07928	8.6
277.08438	8.2
278.09274	2.2
279.07214	2.3
279.10132	13.7
280.10809	2.7
281.08008	3.4
281.11005	2.0
285.07590	1.9
289.08548	2.6
290.09357	4.9
291.06769	3.5
291.10104	15.6
292.07272	5.8
292.10413	1.9
293.07990	12.1
295.09607	1.9
296.10434	2.6
299.09045	9.3
301.07010	2.2
304.07339	2.7
305.08127	3.4
305.11691	1.8
307.09671	12.0
308.10278	8.2
310.08368	2.6
311.12793	2.6
315.08600	56.2
316.09167	2.8
319.09647	9.3
321.07550	4.3
322.08179	2.3
322.11847	2.4
323.12793	16.0
325.10742	3.8
330.10965	79.4
331.11807	8.6
335.09161	3.0
336.10098	4.8
337.10803	4.5
339.12195	13.3
343.11612	4.7
350.11539	2.4
351.12231	21.0
352.12976	3.9
353.10245	11.3
356.08603	2.2
356.12616	3.3
358.13953	4.0
368.12549	12.3
369.13229	6.1
371.15024	10.3
383.14853	97.0
401.15881	22.5
401.28549	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	400.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.6
55.01864	15.8
57.03437	3.4
61.02911	5.1
64.27362	1.6
68.99780	2.0
69.03427	25.2
70.11689	1.4
70.85470	3.0
71.04980	4.1
73.02913	6.5
81.03416	13.5
83.49596	1.4
85.02902	100.0
87.00811	13.9
97.02877	15.8
99.04446	17.6
105.01867	9.7
109.02882	21.3
115.03911	1.9
117.01843	1.8
127.03911	58.6
129.01816	5.1
145.04959	34.4
147.02888	5.4
159.02898	10.0
167.07103	1.8
173.92514	1.4
182.08186	1.4
193.10721	1.8
201.09096	1.7
210.74585	1.4
213.03963	3.2
231.04999	20.4
248.07610	4.3
249.06068	8.9
330.10922	2.1
354.45129	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1914
Annotation	(+)-Vincinine
Peak:m/z	Relative Intensity
58.06598	100.0
58.72901	0.6
69.03432	2.7
69.07088	0.9
70.06599	1.2
71.04997	1.2
71.55527	0.8
71.55867	0.7
72.08173	2.4
73.02886	0.6
73.25555	0.7
81.03418	1.9
81.07057	1.4
83.04996	0.9
85.02921	3.0
86.09708	1.0
87.00850	0.8
91.05496	2.0
93.07056	1.7
95.04942	0.7
100.11228	0.7
105.07057	1.3
107.04981	1.7
107.08544	0.8
109.02922	1.5
111.04456	0.8
116.07143	0.6
121.10161	1.5
123.11722	1.0
127.03975	2.2
129.05551	0.7
133.10184	1.3
136.46130	0.7
149.09628	1.0
151.11243	1.0
162.03198	2.0
163.03937	1.6
239.06877	0.8
240.00423	0.7
250.09280	0.8
253.08598	1.5
263.07153	0.8
265.08621	3.7
277.08557	1.0
280.09830	2.1
280.42758	0.6
281.08145	1.8
282.08768	1.5
283.06363	1.1
283.09549	1.2
295.09503	0.9
297.11206	3.2
304.09906	0.9
313.10754	0.8
319.09332	0.7
336.12476	0.9
341.16116	3.9
342.16992	13.0
351.16977	0.9
354.13647	1.9
367.16663	1.7
381.18219	4.6
399.19293	28.5
400.19540	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1647
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23489	0.4
53.03931	0.8
55.01868	1.0
57.03433	6.5
61.02925	2.9
69.03424	8.9
70.47923	1.5
71.01360	0.5
71.04973	1.4
73.02914	1.1
75.04462	1.1
81.03416	4.6
85.02903	24.7
87.04450	1.7
91.03949	1.5
95.04942	0.6
95.99302	0.4
97.02892	7.6
99.04456	3.0
102.04704	0.7
103.04025	2.2
103.05462	44.9
104.05819	0.9
105.07019	1.2
107.04967	0.4
109.02879	3.2
115.05432	0.6
117.05495	1.2
127.03915	8.0
129.05467	1.1
130.04137	1.3
131.04919	100.0
132.05220	2.4
133.06516	0.7
145.03970	0.6
145.04944	3.1
147.72614	0.5
148.05177	12.6
160.05258	0.5
161.05966	3.6
162.06709	0.6
163.07536	48.8
164.07867	1.1
175.07593	1.2
183.06479	0.4
189.09088	0.7
201.09149	2.3
205.08542	0.7
219.10146	1.3
237.11203	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1438
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05481	1.5
57.07061	3.1
58.59224	1.1
67.05492	3.4
68.99699	1.2
69.03406	1.7
69.07057	1.5
70.29079	2.0
70.29494	4.3
71.08633	2.5
79.05496	2.2
81.07051	4.9
83.05006	1.9
91.05476	12.8
95.08629	2.5
97.02879	1.5
109.10177	2.5
119.04934	29.5
129.05446	2.2
135.11710	1.7
147.04404	100.0
148.04820	1.6
163.03911	1.5
169.67889	1.2
173.13271	1.4
186.11330	1.2
235.09628	11.0
359.02753	1.3
381.13263	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	399.1436
Annotation	Dulxanthone E
Peak:m/z	Relative Intensity
57.07069	0.6
65.03921	1.0
67.05484	0.8
69.07053	0.4
71.04983	1.1
71.08614	0.8
71.60760	0.5
76.48272	0.4
81.07049	1.3
91.05477	13.0
93.07067	0.7
95.08603	0.7
101.06017	0.6
103.55852	0.4
105.07005	0.6
107.08575	0.8
109.10139	0.5
111.04414	0.4
119.04938	28.8
119.12434	0.4
121.10123	0.4
125.80968	0.4
129.05461	0.6
133.10190	0.4
147.04405	100.0
148.04736	2.1
151.71667	0.5
160.29779	0.4
165.05501	0.6
167.07076	0.4
230.47594	0.4
231.67790	0.4
235.09648	17.1
236.10098	0.5
257.92145	0.4
263.44034	0.4
294.62933	0.3
381.13333	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1261
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83134	0.2
54.69120	0.3
56.05051	0.3
56.35585	0.3
56.96546	0.4
57.03426	0.5
57.07073	0.3
69.03446	0.5
69.35319	1.1
69.35746	1.9
70.06581	0.5
71.08633	0.4
72.54246	0.3
73.02911	0.3
85.02911	1.4
97.02879	1.2
98.97562	0.6
99.04417	0.3
101.06026	0.5
101.07098	0.4
103.05461	0.3
107.04933	0.8
111.04427	0.3
116.98611	0.7
127.03889	0.4
128.98624	0.4
129.05476	0.5
131.04929	1.1
136.06174	0.8
147.04456	0.3
147.06531	0.5
149.25839	0.3
158.99678	0.3
163.03918	0.7
163.07558	0.5
202.06746	0.6
211.07402	0.6
212.08044	0.4
219.01706	0.4
237.02922	0.8
237.07188	0.4
243.31303	0.3
250.09378	0.4
273.11679	0.3
339.07449	0.4
399.12631	100.0
400.12872	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	399.1263
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05019	0.3
56.41650	0.3
56.96561	2.3
57.03425	1.1
57.07103	0.3
60.04504	0.4
61.02919	0.4
62.78074	0.4
69.03423	2.4
70.01855	1.9
70.06606	0.4
71.04993	0.8
71.08622	0.6
73.02914	1.6
74.06053	0.4
81.03398	0.9
81.07045	0.4
84.96040	0.7
85.02901	5.3
85.10168	0.5
87.62806	0.3
91.05472	0.8
93.07012	0.4
97.02882	3.6
98.97562	2.8
99.04449	0.6
101.05964	0.5
101.07124	0.4
101.25866	0.4
107.04945	1.3
109.02901	0.7
110.97581	0.7
116.98601	2.7
119.01849	0.4
119.04944	1.1
121.06489	0.7
127.03907	0.6
128.98605	1.4
131.00140	0.7
131.04897	0.5
134.99649	1.6
135.04373	0.6
136.06195	1.6
137.06030	1.8
140.05899	0.4
143.00198	0.4
143.93686	0.4
145.05070	0.5
146.99660	1.5
147.04367	0.9
147.06523	0.6
149.01199	0.5
151.07564	0.7
158.08160	0.4
158.99617	0.6
161.01239	1.0
161.02919	0.4
163.02687	0.5
163.03923	1.5
165.00636	0.4
170.99661	0.6
173.02997	0.5
173.04820	0.4
177.00714	1.3
179.06958	0.7
189.00684	0.9
195.01668	0.4
201.00731	0.4
203.07527	1.3
211.07266	0.7
212.08044	2.7
219.01743	2.0
231.58870	0.5
235.02615	0.4
235.05167	0.4
237.02768	4.6
244.04388	0.7
250.09349	1.4
251.07130	0.4
255.03632	0.6
260.04425	0.3
323.61472	0.4
325.10208	0.5
337.05997	0.9
339.07614	2.8
348.06766	0.8
357.08047	0.4
363.08942	0.4
381.11542	2.8
390.13608	0.5
390.63406	0.4
391.14319	1.6
399.12625	100.0
400.12897	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	398.9761
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38621	0.3
51.59644	0.3
54.14148	0.3
56.96561	9.0
65.85913	0.3
71.95256	1.2
76.14907	0.3
81.07043	0.9
82.78598	0.3
87.81722	0.3
93.07059	0.4
95.08581	0.3
98.53777	0.3
98.97577	36.5
103.80069	0.3
107.08595	0.4
111.80067	0.3
116.98615	50.2
119.01917	0.5
119.68107	0.3
130.93272	0.5
134.99652	54.6
140.00169	1.6
147.04390	0.7
148.94299	0.4
153.00703	11.6
154.93336	0.3
158.01247	3.5
172.94366	1.2
174.97610	0.6
175.97783	0.3
176.02286	0.8
177.00960	1.1
179.85379	0.3
190.95389	4.7
192.98769	1.2
197.95160	0.4
208.96448	3.3
214.95496	0.9
216.98689	0.6
219.02023	1.1
232.96461	7.8
233.96799	0.3
234.99852	2.7
236.00027	0.5
239.02377	0.5
240.98705	0.4
241.94101	0.4
244.61473	0.3
250.97528	7.2
251.97791	0.6
255.98073	0.5
256.96414	13.3
258.99860	3.7
260.00043	0.8
260.99872	0.8
261.03058	2.0
262.03311	0.5
263.02560	0.6
268.98837	0.4
273.98874	0.6
274.97504	100.0
275.97791	2.3
276.97873	0.7
277.00848	8.0
278.01050	1.0
279.00677	0.9
282.99969	2.4
284.00037	0.7
284.99838	0.5
288.99213	0.4
292.98547	84.4
293.98645	1.4
294.98990	0.5
297.99118	8.7
298.02414	0.6
298.97726	5.2
299.97900	0.9
300.97968	0.5
301.01062	5.4
302.01266	1.3
303.00943	1.0
304.00818	0.4
310.99561	1.0
316.00204	7.4
316.98755	13.0
317.98792	2.2
318.98630	0.7
319.02002	0.5
324.02881	0.4
332.96622	0.4
333.24857	0.3
334.99988	0.5
339.01471	0.5
340.00443	0.8
356.98053	1.6
374.99225	8.5
375.98410	0.3
392.99796	0.5
398.00818	0.5
398.97333	2.3
416.98633	6.5
417.16953	0.4
417.98911	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.383
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33624	2.6
53.57808	2.6
55.05492	11.2
57.07054	13.5
59.06104	3.5
61.76986	2.7
62.20258	2.8
67.05497	19.9
69.07061	27.2
70.03017	17.5
71.08617	14.2
79.05486	9.5
79.37889	3.1
81.07051	45.7
83.08613	10.5
85.07649	6.0
85.10175	8.7
91.05467	10.6
93.07034	20.7
95.08604	40.2
96.68461	3.1
97.10159	13.3
105.07020	20.7
107.08590	20.5
109.10144	29.6
111.11723	6.7
119.08585	20.6
119.66254	2.9
121.10127	14.2
123.11700	11.9
133.10110	15.9
135.11694	28.3
137.13214	4.9
145.10168	2.7
147.11673	43.4
149.13272	15.8
154.06981	3.1
159.11714	3.3
161.13255	37.4
163.14798	9.3
172.45558	2.9
175.14825	13.5
189.16412	8.9
203.17889	7.9
215.18025	7.3
243.21097	4.0
257.22745	6.4
272.15054	3.2
287.27356	5.0
300.54233	3.5
301.28549	3.2
349.25555	3.8
397.38248	100.0
417.30194	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.1
55.05513	0.9
55.78998	0.7
57.03429	1.7
61.88091	0.6
65.03931	0.8
67.05487	2.2
69.03425	2.1
70.06583	1.5
71.14377	1.7
81.03413	1.7
81.07051	0.9
83.04984	5.3
84.04510	11.1
85.02908	6.6
89.03934	4.0
90.02021	0.6
91.05463	3.2
93.03413	1.8
93.07015	0.9
94.07350	0.7
95.04954	2.5
95.08552	1.0
96.04499	1.5
97.02885	2.9
97.95529	0.7
98.97588	0.8
99.04439	1.0
103.05469	4.9
105.07069	1.6
107.04962	3.9
109.02856	1.4
111.04459	4.3
115.05452	3.2
117.03371	3.3
117.07031	9.6
119.04910	1.4
121.02865	0.8
123.04430	11.9
123.08052	1.1
123.11703	0.7
127.03931	1.7
129.05501	1.2
131.04930	10.0
132.08096	2.2
133.06497	2.6
134.05984	0.7
135.04416	12.3
136.07629	0.9
137.05969	2.8
139.03893	3.3
143.04887	3.5
145.02832	7.8
145.06480	20.1
146.06015	0.9
147.04431	2.5
147.08049	0.9
148.05220	1.2
149.05945	0.9
152.07076	1.2
160.03952	0.9
160.07581	4.6
161.02303	1.2
161.05984	12.2
163.03908	100.0
163.07527	16.0
164.04248	2.9
164.07083	3.2
165.05505	6.0
165.09073	1.0
171.04375	1.3
178.05029	2.0
178.08670	14.1
179.07082	0.7
180.06567	0.8
183.10135	1.5
188.07069	8.2
189.05492	11.3
201.11237	1.3
204.06647	1.0
205.06789	1.0
206.04590	2.4
206.08131	50.5
207.02916	1.9
207.06517	2.5
207.08395	1.8
218.08167	1.2
219.12241	1.8
224.05731	1.3
224.09210	14.3
236.06245	1.0
236.09317	1.9
236.12869	1.6
237.02634	0.9
352.13913	1.7
355.10358	1.3
380.13409	2.6
398.14456	40.3
399.14792	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.2947
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	32.0
57.07074	53.0
58.05799	6.0
59.42288	6.5
60.43525	5.7
67.05502	40.0
69.07063	49.2
69.96604	27.3
71.08617	11.1
74.51401	5.5
79.05486	22.5
81.07052	69.4
83.04964	26.4
83.08627	28.5
85.06520	27.5
85.10157	5.2
86.00279	5.6
91.05471	15.3
93.07049	35.1
95.04939	5.7
95.08610	55.4
96.14769	6.4
97.06534	20.7
97.10162	9.0
98.21427	6.3
99.08062	6.6
105.07009	22.9
107.04988	7.6
107.08607	42.3
107.09255	8.7
109.06516	13.7
109.10154	41.0
111.01803	5.2
111.04429	10.9
111.08071	8.9
119.08593	20.1
121.10153	28.7
123.08090	6.3
123.11715	16.5
125.05998	7.7
125.09598	8.9
133.10144	19.9
135.08139	6.1
135.11667	21.5
137.05994	17.8
145.10081	9.0
147.11642	28.1
149.09619	6.8
149.13297	37.3
151.07455	5.9
159.11719	9.5
161.13264	31.4
167.14288	9.1
181.12190	8.4
193.19666	6.6
203.57982	7.4
223.20541	14.8
245.17506	17.4
251.20068	25.9
263.20096	13.9
279.19580	87.9
297.20663	29.1
319.26218	19.7
329.24774	9.4
337.27280	7.0
347.25778	100.0
348.75369	6.9
351.28986	27.6
365.26910	12.1
379.28479	75.4
397.28467	10.3
397.38235	46.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.2583
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	14.5
54.27618	2.4
55.01860	5.1
55.05264	3.8
55.05511	61.3
57.03422	8.3
57.07063	10.4
67.05504	78.5
69.03426	70.9
69.07069	78.0
71.01355	2.7
71.04987	24.3
71.59087	3.2
79.05486	40.0
81.03416	87.5
81.07055	100.0
83.04965	11.4
83.08615	42.2
85.02901	29.4
85.06527	13.7
91.05480	34.2
93.07039	52.5
94.74588	3.0
95.04968	10.3
95.08604	97.6
97.02900	14.9
97.06525	15.1
97.10168	38.1
98.53461	2.7
99.04446	21.8
99.08101	6.5
104.53342	2.3
105.07029	30.0
107.04960	5.8
107.08591	31.7
109.02882	48.8
109.06509	4.2
109.10155	38.8
110.77875	2.5
111.04421	10.4
111.08078	6.4
111.11696	18.1
113.09679	3.3
113.72531	2.5
115.01750	2.5
117.07025	8.0
119.08554	27.6
121.06441	5.3
121.10146	43.8
123.08083	4.8
123.11698	17.0
125.09618	5.8
125.13251	6.3
127.03912	85.5
128.29178	2.7
129.06981	4.0
131.08569	8.5
133.10107	25.2
135.04416	2.6
135.11700	38.3
136.96806	2.6
137.05966	14.4
137.09593	9.3
137.13251	8.8
139.11176	6.6
143.08607	2.9
145.10112	6.3
147.08148	2.9
147.11674	19.3
149.05888	3.0
149.09557	2.6
149.13232	8.0
151.11179	10.0
151.14812	4.3
153.12746	5.0
157.12144	3.2
158.26628	2.6
159.11736	6.8
160.18890	2.6
161.13278	16.2
163.04012	3.7
163.11166	2.9
165.12712	7.2
167.07077	3.0
173.13226	3.1
175.11214	3.9
175.14836	6.5
179.14319	5.4
189.09016	2.9
189.16254	2.9
193.19485	3.1
198.06755	3.0
199.64616	2.9
213.09155	3.6
213.49712	2.8
215.10724	2.8
215.17891	3.4
217.19485	21.3
233.19061	3.7
235.20541	35.5
243.10147	2.8
251.20004	3.4
253.21703	7.2
273.11157	8.8
289.21030	2.9
325.21573	3.3
343.22705	11.1
361.23785	13.4
367.15247	3.5
379.14999	3.6
379.24783	38.0
397.16641	22.1
397.25836	33.9
398.17157	8.0
421.55930	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	397.2585
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	13.6
55.01862	7.6
55.05512	54.7
57.03437	9.7
57.07074	11.9
64.92923	1.6
65.03941	2.4
67.05505	66.8
69.03428	61.4
69.07067	78.0
69.64298	13.1
71.04999	20.3
71.08618	4.2
73.02896	2.4
74.52522	1.6
75.86726	1.7
77.03875	1.9
79.05493	32.4
81.03419	64.4
81.07056	100.0
83.04984	14.2
83.08619	42.3
85.02901	21.3
85.06551	12.5
87.04440	1.8
91.05474	30.8
93.07037	43.8
95.04980	8.8
95.08606	81.6
96.08955	1.9
97.02900	12.1
97.06531	17.8
97.09547	1.9
97.10167	38.8
99.04453	24.4
99.08093	5.4
103.05462	2.3
105.07034	29.3
107.04951	2.7
107.08596	28.9
109.02880	41.7
109.06509	6.7
109.10165	35.8
111.04455	13.5
111.08091	7.5
111.11725	17.2
113.06023	1.8
113.09675	4.4
117.07032	4.9
119.04926	2.3
119.08569	24.0
121.06498	7.4
121.09304	2.9
121.10144	35.7
122.03611	2.4
123.04456	2.8
123.08077	6.7
123.11698	12.2
125.06001	4.1
125.09649	5.5
125.13242	4.2
127.03915	73.9
128.06158	1.8
129.06999	3.4
131.04967	2.9
131.08559	11.2
133.06503	2.7
133.10130	22.9
135.11685	33.1
137.05988	19.6
137.09630	6.1
137.13252	7.0
139.11169	6.6
143.06989	3.1
143.08556	4.3
145.05022	2.1
145.06432	3.8
145.10130	12.7
147.04321	3.0
147.08087	4.1
147.11688	20.2
149.05952	3.9
149.09641	2.8
149.13266	7.5
151.07590	3.1
151.11183	7.2
151.14874	3.5
153.12733	7.7
155.08578	2.4
157.10165	4.8
159.08064	4.2
159.11682	5.5
161.06049	2.8
161.09662	2.5
161.13243	13.3
163.07556	2.3
163.11195	4.1
165.12753	5.7
167.07114	2.2
167.08638	2.2
169.10217	2.5
171.08049	2.6
171.11728	4.3
173.09619	8.2
173.13274	3.9
175.07645	3.0
175.11162	2.4
175.14838	5.4
179.14284	3.5
185.09634	2.0
187.11240	5.2
189.09129	3.2
189.12704	2.2
189.16370	3.7
191.10602	2.3
193.15884	3.1
200.19872	1.6
205.12241	2.8
213.09019	2.4
215.10674	5.3
217.15849	3.6
217.19499	23.5
230.95612	1.7
233.11671	2.7
235.07715	1.9
235.20566	20.6
243.10220	2.6
251.20030	3.5
253.21599	9.7
265.21591	2.1
273.11221	3.4
293.21127	2.8
303.09866	2.5
319.22360	2.7
343.22690	6.7
361.23862	11.9
379.15472	5.9
379.24823	29.8
397.16507	22.1
397.20856	2.5
397.25784	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	397.2584
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	13.3
55.01866	6.8
55.05508	61.4
57.03422	7.2
57.07061	10.3
65.03922	3.5
65.92381	2.5
67.05499	75.2
69.03427	62.2
69.07064	79.4
70.91219	3.2
70.91550	5.2
71.04995	20.4
75.74701	2.5
79.05489	37.3
80.22363	2.3
81.03419	66.8
81.07053	100.0
83.04978	10.9
83.08617	45.0
85.02905	20.1
85.06519	13.1
87.71510	2.5
91.05470	29.4
93.07040	45.5
95.04971	6.9
95.08603	90.9
97.02878	16.5
97.06528	13.9
97.10172	35.0
99.04446	22.9
99.08080	5.1
101.05973	2.8
105.07036	28.8
107.04936	3.0
107.08588	31.1
109.02876	45.6
109.06544	4.9
109.10153	45.0
111.04435	11.1
111.08044	7.4
111.11703	16.2
113.09671	3.5
114.58687	2.4
117.06997	5.6
119.08566	25.8
121.06496	4.9
121.10126	45.0
123.08047	4.6
123.11721	15.8
125.09627	5.5
125.13245	2.8
127.03909	77.7
129.05505	3.6
129.07013	3.2
131.08554	10.4
133.10098	25.3
135.08047	3.2
135.11679	35.6
137.05959	3.9
137.09576	8.0
137.13252	8.3
139.11180	8.5
143.08583	3.0
145.06502	2.7
145.10115	9.5
147.11700	20.9
149.09598	5.3
149.13245	9.6
151.11174	6.1
151.14897	5.6
153.12749	8.9
157.10112	3.1
159.11716	5.9
161.06029	3.8
161.13264	10.3
165.12766	9.2
171.11699	4.1
173.13271	3.6
175.14859	6.4
179.14278	5.3
193.19547	5.2
215.17966	3.9
217.19557	26.0
233.18951	2.9
235.16844	8.9
235.20558	28.9
247.20488	3.5
251.19963	3.4
253.21625	7.8
283.58029	2.7
343.22650	5.7
361.23651	12.9
379.24728	25.0
397.16595	6.5
397.25714	21.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1634
Annotation	Rheediaxanthone C
Peak:m/z	Relative Intensity
56.96556	0.8
59.78002	0.3
65.03934	1.1
67.05507	0.8
68.71848	0.3
68.73306	0.3
69.07050	1.6
69.94020	2.3
81.07051	1.3
91.05479	12.2
93.07033	1.0
95.08598	0.8
103.73644	0.4
105.07043	0.4
107.08593	0.7
119.04936	26.3
133.10095	0.3
134.99672	0.4
135.11652	0.7
144.97598	0.4
147.04404	100.0
148.04715	2.7
153.48340	0.5
165.05502	0.9
172.60953	0.4
174.54082	0.5
233.11754	1.7
257.03287	0.7
269.12473	1.1
397.16214	39.3
398.16513	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1634
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96556	0.8
59.78002	0.3
65.03934	1.1
67.05507	0.8
68.71848	0.3
68.73306	0.3
69.07050	1.6
69.94020	2.3
81.07051	1.3
91.05479	12.2
93.07033	1.0
95.08598	0.8
103.73644	0.4
105.07043	0.4
107.08593	0.7
119.04936	26.3
133.10095	0.3
134.99672	0.4
135.11652	0.7
144.97598	0.4
147.04404	100.0
148.04715	2.7
153.48340	0.5
165.05502	0.9
172.60953	0.4
174.54082	0.5
233.11754	1.7
257.03287	0.7
269.12473	1.1
397.16214	39.3
398.16513	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1645
Annotation	Ponganone VI
Peak:m/z	Relative Intensity
53.03967	1.1
55.01868	1.2
55.05499	2.5
57.74247	0.7
67.05511	4.5
69.03425	3.4
69.07069	3.3
71.04978	1.9
71.27136	1.7
72.62786	0.7
79.05489	3.1
81.03420	4.1
81.07059	5.3
83.04987	1.4
83.08604	2.3
85.02905	4.9
91.05476	8.0
93.07034	4.5
93.55683	0.7
94.04192	1.4
95.04980	1.6
95.08579	5.9
97.02896	2.2
97.06523	1.4
97.10163	1.5
99.04473	1.8
103.05468	2.2
105.07035	3.0
107.04960	1.8
107.08591	1.7
109.02909	2.7
109.06541	1.5
109.10155	1.5
109.39648	0.7
111.04441	1.4
115.05463	1.7
119.04935	6.4
119.08571	2.0
121.06483	2.0
121.10130	2.4
122.03664	4.5
123.11729	0.9
124.05187	1.2
127.03912	5.0
128.06232	3.2
129.07007	4.9
131.04948	3.3
131.08534	4.1
133.02824	0.9
133.06473	1.1
133.10126	1.1
135.04425	1.4
135.08087	1.5
135.11722	1.6
137.05972	68.5
141.07016	2.8
142.07790	1.9
143.08574	1.0
144.05687	2.1
145.06465	1.9
146.07147	0.8
147.04425	5.8
147.11624	1.9
149.04977	1.6
149.06003	5.6
151.07520	8.5
152.06195	0.8
153.07019	1.4
154.07748	1.2
155.08598	3.2
157.06512	2.7
157.10091	1.5
158.07285	2.3
159.08031	5.1
159.11604	1.0
160.05273	1.0
161.05975	11.2
161.09595	3.5
163.03960	1.6
163.07576	1.4
165.07025	2.7
167.08522	1.8
168.05637	1.1
169.06474	1.8
170.07281	1.4
171.08047	3.4
172.05186	1.1
172.08849	2.6
173.05986	1.1
173.09683	1.9
174.06769	1.3
175.07544	3.7
175.11241	0.9
181.06444	1.9
182.07253	5.1
183.08061	3.4
184.08800	2.4
185.05984	2.1
185.09605	8.3
186.06735	1.7
187.07497	4.1
187.11194	1.7
189.09087	2.7
191.06990	5.8
195.08009	1.3
197.05984	1.6
197.09636	7.5
198.06731	12.1
199.07495	7.7
199.11188	1.3
200.08305	2.2
201.09093	2.6
202.07726	1.5
203.10602	1.4
209.09718	1.1
210.06738	2.6
211.07527	1.6
212.08327	3.2
213.09099	16.9
215.10675	5.4
217.08508	1.5
217.10336	1.0
217.15880	1.7
217.19429	1.1
220.08920	1.3
225.09077	10.3
227.10713	0.8
229.08559	2.9
229.10439	1.3
231.08217	1.7
233.09659	1.9
235.20485	1.2
237.00661	1.1
242.09415	1.6
243.07965	1.6
243.10152	15.4
243.12569	1.3
245.09726	1.9
245.11838	2.0
246.10316	1.4
247.07639	1.4
247.11252	1.0
248.08310	1.4
249.09087	1.6
253.21503	0.9
255.10245	5.2
257.09607	2.7
257.17514	2.5
258.06900	1.4
259.07660	1.7
260.08292	1.4
261.09131	3.6
262.10162	1.2
263.06955	1.4
263.10544	1.2
264.07721	2.1
265.08578	1.4
271.07538	2.2
273.11246	48.4
274.09470	1.4
275.10587	2.5
276.07840	2.3
277.00079	1.5
277.08636	3.0
277.12106	1.3
278.09418	1.5
279.09915	1.0
285.09036	2.7
286.09830	1.7
287.07098	1.9
287.10455	1.2
288.07880	2.1
289.08557	3.2
289.12213	2.9
290.09268	1.9
291.10126	5.6
292.07294	2.3
292.10706	1.5
293.08142	2.3
293.11774	2.1
295.09857	0.9
301.08633	1.8
301.11893	1.0
302.09323	2.2
303.10107	3.8
304.10956	1.1
305.08136	2.1
305.11694	3.0
306.08875	1.6
307.09595	8.5
307.12823	1.2
308.10339	4.9
309.11038	1.5
315.10165	1.2
317.11697	3.8
318.08997	1.3
319.09589	1.9
319.13129	1.0
320.10397	2.6
321.11279	5.3
321.14481	0.9
322.11786	0.9
325.10568	2.4
325.14160	1.2
329.11615	0.9
331.09583	2.1
333.11163	3.4
334.11996	1.6
335.12723	6.7
336.13422	3.0
339.12195	3.0
349.14252	3.7
349.62109	1.1
351.12314	8.7
351.16034	1.5
353.13806	3.5
354.14578	16.6
361.14035	1.7
365.13559	1.8
367.15970	4.4
369.63211	1.1
379.15381	14.6
379.24841	1.8
397.16449	100.0
398.16791	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	397.162
Annotation	Unknow
Peak:m/z	Relative Intensity
54.75903	0.2
56.96540	0.2
70.34017	0.7
81.07075	0.3
90.19775	0.2
91.05435	0.2
104.23435	0.2
104.24224	0.2
105.06989	0.2
119.04958	0.4
147.04401	1.1
151.95061	0.3
188.50056	0.2
197.95685	0.2
233.11450	1.5
397.16196	100.0
398.16553	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1618
Annotation	beta-DIHYDROROTENONE
Peak:m/z	Relative Intensity
54.20273	0.2
54.34131	0.1
56.96550	0.2
57.22035	0.2
60.04506	0.7
67.05505	0.3
70.11919	0.9
81.07061	0.2
84.61809	0.2
89.64094	0.2
90.95677	0.2
91.05472	0.2
93.07021	0.2
95.08611	0.2
105.07021	0.3
107.08591	0.3
109.10161	0.4
119.04954	0.3
147.04393	1.7
187.03586	0.2
233.11456	1.1
239.02194	0.2
257.03342	0.3
276.14063	0.2
293.22064	0.2
299.27664	0.5
375.61871	0.2
397.16199	100.0
398.16568	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	397.1632
Annotation	Unknow
Peak:m/z	Relative Intensity
59.18569	0.4
65.03928	1.2
65.46925	0.5
69.07049	1.5
71.04859	1.0
75.94448	0.4
91.05479	10.8
93.07034	0.6
105.07074	0.4
106.34306	0.5
107.08596	0.4
107.47980	0.4
119.04943	25.7
120.05242	0.5
147.04405	100.0
148.04727	2.0
165.05458	0.9
187.03555	0.5
217.05263	0.4
233.11630	2.8
257.03214	0.5
293.08020	0.5
337.14194	0.4
394.37711	0.4
397.16214	61.6
398.16504	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	397.1622
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72639	0.3
55.05499	0.4
67.05494	1.2
69.11613	0.3
71.58492	0.4
71.58869	0.6
79.05484	0.4
81.07061	1.4
90.45937	0.3
91.05477	0.9
93.07041	0.8
95.04997	0.4
95.08612	0.5
105.07034	0.7
107.08602	1.3
109.10153	2.3
109.87158	0.4
111.76250	0.3
113.19012	0.3
119.04942	1.1
131.08607	0.5
131.98978	0.3
133.10158	0.5
134.68932	0.3
147.04404	4.3
151.11176	0.4
187.03612	0.6
231.81662	0.3
233.11472	3.5
236.64322	0.3
247.04555	0.8
251.11066	0.3
253.66714	0.4
257.03494	0.4
269.12283	0.4
269.86569	0.3
270.06198	0.4
273.50067	0.3
285.10144	0.5
337.14105	0.8
357.15097	0.3
397.16223	100.0
398.16589	6.1
415.16196	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1017
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86870	0.8
54.05523	0.7
56.58062	0.7
56.96560	12.3
57.75782	0.9
61.02899	0.8
67.04387	0.7
70.80050	2.5
73.02918	1.2
80.20676	0.7
84.96029	3.2
85.02898	1.5
98.97580	36.5
99.82039	0.8
110.97559	8.5
112.14242	0.8
112.99126	57.5
116.98614	18.9
127.00764	0.8
128.98602	12.2
130.43478	0.9
131.00165	96.9
132.00493	1.0
134.99675	6.7
136.00896	0.8
143.00186	3.6
144.98160	0.9
145.01738	1.7
146.99648	6.2
149.01216	53.5
152.98543	1.4
154.01761	3.0
158.99666	9.4
161.01218	5.2
162.99179	0.8
163.02771	1.9
165.00612	1.2
167.02249	5.4
170.99593	3.9
172.02838	1.7
173.01215	33.9
175.02792	5.6
177.00716	10.1
187.02786	1.6
189.00676	4.4
191.02267	35.8
193.03854	9.1
195.01807	1.6
201.00739	4.5
203.02257	1.0
205.03871	3.3
209.01247	2.2
209.03186	1.5
211.04840	8.4
214.03842	1.8
217.04056	0.9
219.01758	32.9
221.03366	1.0
227.02278	4.0
233.03302	12.7
235.04820	1.4
237.02815	68.7
238.03325	1.2
242.03278	0.8
242.08018	0.8
248.05486	1.2
255.03870	7.4
259.04849	0.8
260.04376	1.7
263.04401	6.5
267.57568	0.9
275.04443	10.1
277.05969	2.2
279.07813	0.8
281.05408	13.8
293.05432	14.1
307.06931	1.0
318.10724	2.2
319.07062	2.6
321.10086	0.8
337.08060	94.6
338.08432	3.5
355.09103	100.0
356.09430	2.9
378.10754	4.0
397.10175	47.8
398.10730	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.0805
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96561	20.6
57.03432	2.6
61.02917	1.2
69.03424	3.4
70.06582	3.5
71.04986	1.6
71.58008	1.2
73.02901	4.6
74.97601	1.0
81.03400	1.0
81.04562	1.5
81.07078	0.9
84.96027	6.5
85.02905	8.4
86.09710	1.4
87.04430	0.8
91.05481	1.7
91.82369	0.9
97.02882	5.0
97.77370	0.8
98.97579	33.6
102.97047	1.3
107.04933	2.7
110.07143	1.0
110.97559	9.0
112.99136	5.2
116.07148	0.8
116.98612	28.3
119.01912	5.0
119.04903	0.9
120.98075	0.8
121.06464	1.1
127.03905	2.7
128.98595	22.0
131.00157	11.0
131.01875	1.4
134.99651	16.4
135.04329	1.2
137.05960	1.4
140.00241	0.8
140.98592	1.1
143.00177	3.4
144.98024	1.7
145.03488	1.0
145.05002	1.1
146.99646	24.9
147.04439	1.6
149.01210	10.6
152.98589	2.1
153.00797	0.9
155.01912	1.0
157.09749	1.3
158.01315	1.1
158.99651	6.1
161.01237	8.0
161.02815	1.9
162.99091	1.8
163.03946	4.5
165.00755	2.9
167.02258	1.4
169.03421	0.8
170.99622	5.9
173.01357	1.9
173.02985	2.7
175.02698	1.0
177.00696	9.4
179.02271	2.5
179.07030	1.1
183.04984	1.0
185.02953	1.2
189.00684	8.3
191.02220	3.4
193.01747	3.3
193.03679	0.9
195.01787	2.1
199.99957	1.2
201.00697	4.4
203.03955	1.2
207.01736	1.9
211.02733	8.6
211.04575	1.6
216.70969	0.8
219.01750	30.9
220.02170	1.2
221.01167	0.9
221.04993	1.8
223.04710	1.2
229.03888	1.2
233.03194	1.7
235.04594	2.4
237.02805	89.2
238.03317	1.6
242.03372	0.8
247.02756	1.1
249.04312	1.5
253.05751	1.7
255.03871	9.1
260.04324	4.4
273.06213	0.9
275.04279	1.4
281.05350	1.5
289.03680	2.0
293.05450	1.5
319.07382	1.1
337.05795	100.0
338.06320	3.4
355.08881	9.9
373.09821	5.0
378.10565	1.1
378.60593	1.1
397.10394	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	396.2592
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.0
53.34490	0.8
55.01872	1.0
55.05516	2.0
57.03438	1.1
59.04993	2.2
63.76814	0.8
67.05500	1.0
69.03416	2.8
69.07072	4.4
69.84892	2.0
69.85303	3.2
70.06580	4.0
71.04989	13.4
72.08149	0.8
73.02895	1.4
73.06549	2.2
79.05481	3.6
81.03410	1.8
81.07057	17.5
82.81786	1.0
83.04967	0.9
83.08583	1.1
85.02914	4.2
85.06535	1.1
91.05470	2.9
93.07047	14.9
95.04968	1.4
95.08596	3.2
97.02884	3.0
97.06518	1.9
97.64761	0.9
98.20794	1.0
98.97581	3.8
99.04420	1.0
105.07047	2.2
107.08591	11.8
109.02884	1.2
109.06507	1.3
109.10146	1.8
110.07198	1.1
111.08048	1.1
113.09770	0.9
116.98651	2.5
119.08592	1.2
120.08092	1.1
121.06495	2.1
121.10155	2.5
123.04395	1.1
123.08107	1.1
123.11697	1.0
125.13280	1.6
127.03918	2.8
131.04959	1.8
133.10063	1.3
134.99634	2.1
135.11684	21.8
145.04982	1.4
145.10155	1.0
149.05943	1.0
149.09563	1.1
153.12740	100.0
154.13068	2.4
156.32661	1.0
158.99745	1.6
163.03914	2.1
168.74742	0.8
176.07062	1.2
177.00706	2.1
181.12140	1.0
195.07841	1.1
198.14920	2.0
206.08083	1.3
217.10806	1.5
219.42142	0.9
221.08369	2.0
237.02969	1.1
245.10651	1.1
269.10657	1.8
276.99954	1.2
306.13864	1.5
311.10556	1.4
315.17908	1.3
378.24847	1.4
387.16980	1.0
396.12796	1.4
396.17340	4.8
396.25266	1.1
396.67392	2.4
407.16324	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.204
Annotation	Gly Arg Tyr
Peak:m/z	Relative Intensity
60.02512	0.2
69.03400	0.2
70.20406	0.4
70.20824	0.7
71.04981	0.2
80.83492	0.2
81.03407	0.5
85.02908	0.3
91.05463	0.7
97.02876	0.2
98.20795	0.2
99.19987	0.2
105.07005	0.2
109.02865	0.5
119.04890	0.9
127.03870	0.2
131.08542	0.3
147.04404	5.7
148.04726	0.3
165.05341	0.2
187.11105	0.2
215.10654	0.2
233.15201	0.3
315.97400	0.2
395.20386	100.0
396.20761	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	395.0944
Annotation	Unknow
Peak:m/z	Relative Intensity
65.77867	1.9
71.12711	3.8
72.20808	1.3
89.66605	1.8
117.68324	1.6
119.01917	5.5
122.96034	1.4
131.01872	4.0
143.01974	2.1
144.02750	2.2
145.03464	5.4
149.02946	2.4
155.01932	2.9
157.03474	2.3
161.02974	6.9
167.02995	4.9
169.03488	14.7
171.04973	7.6
173.02989	6.0
185.02957	2.7
187.04532	17.0
197.02989	6.0
209.54306	1.9
210.58672	1.7
215.04066	11.8
218.04489	3.7
221.03017	1.6
275.06113	62.8
276.06357	3.3
287.06146	8.9
293.07108	10.9
305.07199	3.4
394.22437	2.0
394.98740	3.5
395.09518	100.0
396.09988	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1309
Annotation	Unknow
Peak:m/z	Relative Intensity
56.75269	0.4
59.17524	0.4
67.35065	0.5
71.02598	0.4
71.02906	0.6
81.07021	0.7
85.02905	0.7
85.71149	0.4
98.56262	0.5
105.07056	0.5
126.08123	0.4
143.22217	0.4
175.79977	0.5
185.04233	2.8
185.21313	0.4
217.04845	1.0
232.07037	10.2
233.07820	6.3
364.11172	1.4
365.11801	0.6
395.13113	100.0
396.13376	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	394.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
55.19033	1.1
57.03424	1.7
58.13766	1.2
58.59700	1.2
61.02920	2.7
69.03412	4.5
71.45147	2.4
73.02901	2.1
73.67477	1.2
79.05470	4.3
79.85464	1.3
81.03409	2.6
85.02426	1.7
85.02901	20.8
91.05479	15.4
97.02866	6.2
98.97552	1.4
100.78197	1.6
107.04942	11.8
109.06513	1.6
116.98615	1.6
119.04934	50.8
121.06491	5.4
127.03903	6.6
128.72429	1.3
135.04428	13.9
137.05971	39.7
138.05367	1.3
138.06285	1.8
140.07127	6.2
140.08055	1.5
145.04950	4.6
147.04399	87.2
148.04747	2.4
149.05989	8.9
151.07523	9.2
167.07031	23.4
177.05473	2.0
179.07025	100.0
180.07295	3.4
191.07085	2.4
197.08073	4.5
229.08714	1.4
237.02808	3.1
248.05139	1.5
264.82834	1.3
275.09085	2.3
311.11307	6.7
394.17017	1.8
412.54675	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.1622
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96570	10.8
58.70150	1.3
66.67365	1.2
70.15408	6.5
74.11819	1.4
74.24829	1.2
79.05468	2.4
81.07044	1.8
91.05467	5.0
93.07036	2.9
95.08593	2.8
98.97579	1.4
105.07014	2.5
107.08601	2.3
108.15202	1.4
109.10149	2.5
119.04926	5.2
131.75784	1.5
133.10127	2.6
134.99696	2.2
138.49608	1.3
147.04396	19.7
148.04738	2.1
149.05908	1.4
163.03879	4.6
163.12361	1.4
181.05284	1.5
196.73126	1.2
207.06897	1.9
211.02872	1.5
213.04382	5.0
225.08017	2.0
239.02257	13.3
257.03342	16.8
262.04016	2.5
268.09552	1.4
280.04889	1.7
327.81354	1.4
353.13620	100.0
354.13937	7.0
371.11197	7.7
373.14920	1.8
377.26227	3.9
389.12589	6.8
394.16336	8.0
394.29395	1.6
395.14539	4.9
412.14099	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2787
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43005	1.5
52.16336	1.4
52.43264	1.5
53.03946	3.6
55.05510	14.9
55.15262	1.4
57.03435	3.9
57.07074	38.7
59.05018	1.9
65.03931	3.6
67.05172	2.2
67.05502	30.4
69.03412	4.5
69.07065	17.3
71.08630	22.8
71.62271	1.9
76.36383	1.4
79.05491	24.4
81.07053	54.4
83.04967	3.9
83.08619	14.8
85.06536	2.8
85.10175	11.2
91.05477	32.9
93.07039	51.8
95.04969	36.9
95.08601	49.7
97.06522	6.0
97.10149	4.9
98.98463	55.7
99.08122	1.7
103.05474	3.3
105.07024	57.2
107.08594	27.8
109.06503	10.9
109.10158	26.0
115.05450	2.1
116.99511	2.2
117.07024	12.6
119.08579	56.9
121.06512	14.1
121.10146	22.2
122.10400	1.9
123.08087	2.6
123.11672	11.2
125.13248	1.8
126.72008	1.5
128.06232	6.2
129.06999	9.0
130.07777	5.5
131.08574	25.5
132.09248	1.9
133.06476	1.6
133.10124	35.7
135.08032	4.9
135.11702	15.4
137.13226	2.1
141.06975	4.4
142.07806	10.9
143.08562	21.5
144.09373	7.9
145.10114	39.9
147.08080	2.8
147.11679	17.1
149.09605	3.9
149.13263	1.9
151.14787	2.2
153.06908	1.6
155.01036	100.0
155.08507	8.5
156.09331	5.9
157.10121	33.4
158.10950	3.8
159.08087	2.3
159.11694	24.5
161.09639	12.3
161.13239	4.0
163.11192	3.4
165.06929	1.6
167.08601	3.4
168.09372	3.4
169.10098	15.1
170.10950	4.1
171.11691	16.5
172.12469	3.5
173.09637	2.6
173.13255	13.2
175.11194	6.6
175.14836	10.8
179.08554	5.1
180.09496	1.8
181.10057	7.2
182.10851	3.1
183.11682	15.0
185.13232	8.2
187.11176	7.1
187.14825	8.4
193.10104	4.1
194.10904	2.6
195.11705	6.2
196.12453	2.0
197.13228	10.1
199.11174	2.8
199.14842	6.6
200.70786	1.6
201.12799	3.2
201.16315	5.1
203.14253	2.2
205.15733	1.7
206.10866	2.0
207.11673	4.3
209.13200	8.8
210.13904	1.6
211.14813	5.2
213.16389	2.5
217.15927	1.6
221.13225	2.8
223.14755	5.5
225.16341	3.7
235.14870	4.6
237.16368	1.8
239.14304	2.1
239.17923	1.9
239.23653	11.2
241.19434	2.1
247.14687	1.7
253.15862	4.4
253.19644	3.3
265.19543	2.5
279.21130	1.7
283.20508	2.6
291.17450	1.6
345.65439	1.7
375.26804	3.6
393.27850	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	394.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.4
55.01859	1.8
56.96555	3.2
57.03432	4.1
60.04513	0.7
61.00051	0.6
61.02913	3.0
69.03413	7.4
69.18696	0.7
71.04977	1.9
71.53259	1.7
71.53622	0.9
73.02909	4.1
78.80984	0.8
79.05495	1.5
81.03403	2.8
83.04986	0.9
84.96030	1.1
85.02899	18.2
87.04451	1.3
91.03944	1.1
91.05473	12.4
95.04960	1.8
97.02885	8.3
98.06010	1.1
98.97582	6.6
101.00887	0.8
102.96911	0.8
107.04941	7.8
109.02856	1.6
110.97584	1.0
111.04438	0.9
115.03909	1.3
116.98617	5.3
119.04933	25.1
120.05291	1.1
121.06484	2.2
122.03620	2.5
127.03929	4.1
128.98581	2.0
131.00121	1.0
134.99649	3.0
135.04404	1.5
137.05971	100.0
138.06306	3.1
140.07059	1.3
140.88196	0.8
143.00185	0.8
145.04951	2.9
146.99670	2.1
147.04399	53.5
148.04755	1.3
148.89006	0.8
149.01196	1.0
149.05960	1.1
151.07538	4.3
158.99686	1.4
161.01196	1.6
163.02711	0.8
163.03914	3.3
163.07520	1.0
167.07047	2.8
173.02913	0.9
177.00612	3.4
177.05482	0.9
178.03857	0.9
179.07024	64.8
180.07361	1.1
181.08586	0.9
189.00723	1.4
197.08078	22.7
202.04985	1.2
203.07532	2.3
212.08086	3.3
219.01822	3.3
235.05431	0.8
237.02760	7.3
241.56035	0.9
241.58841	0.8
242.06218	1.8
251.06749	1.1
253.03865	0.9
273.37189	0.9
284.02106	1.2
295.57733	1.0
337.06055	1.3
353.07727	1.1
355.06976	0.9
373.08224	1.4
394.11548	1.0
394.16681	1.5
394.66769	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2609
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07066	4.2
81.07063	1.7
95.08605	1.2
97.98380	1.0
147.04393	1.6
164.58046	1.0
199.99683	0.9
226.32280	1.1
228.61400	0.9
284.16068	0.9
285.98499	1.0
297.30542	0.9
309.20157	2.5
310.19720	0.9
325.16656	1.0
373.88464	0.9
375.24680	1.9
393.26108	100.0
394.26501	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2419
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.8
57.07071	0.9
60.33742	0.3
61.47490	0.3
65.03926	0.4
65.69590	0.2
67.05504	3.8
69.07060	1.0
70.86391	0.4
70.86736	0.6
71.05024	0.4
71.08634	0.4
72.14415	0.3
79.05482	4.6
81.07052	100.0
82.07373	1.7
91.05454	1.7
93.07037	7.4
93.07619	0.4
95.04970	1.3
95.08601	13.0
103.05468	0.9
105.07023	0.6
109.10151	0.9
121.06513	0.5
131.04912	0.9
131.33186	0.3
137.13245	38.6
138.13580	0.9
141.96016	0.3
149.05992	0.9
158.76947	0.3
159.04417	1.0
168.98100	0.3
169.06497	0.5
177.05464	16.1
181.06477	0.3
185.05888	0.3
193.10162	0.7
197.06044	1.3
201.05511	0.4
206.07285	0.9
211.11107	0.7
221.09644	1.9
239.10654	4.5
257.11710	10.2
258.12177	0.5
319.37067	0.3
393.24109	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2397
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.0
55.05507	6.5
57.03427	3.8
57.07071	30.6
65.90137	0.8
67.05499	15.4
69.07067	8.4
71.08628	24.7
71.60397	1.2
79.05497	5.3
81.07048	24.9
83.04932	1.2
83.08611	12.1
85.06519	1.1
85.10177	13.5
91.05482	6.9
93.07040	11.7
95.04975	7.4
95.08603	29.0
97.06528	1.8
97.10172	5.8
98.98460	54.5
99.11716	1.4
105.07021	10.8
107.08582	9.0
109.06509	1.9
109.10144	12.0
113.13264	1.1
116.99506	3.0
117.07021	2.2
118.52139	0.9
119.08578	11.6
121.02850	2.0
121.06492	2.9
121.10149	5.1
123.11726	6.2
125.13248	1.8
128.06194	1.9
129.06999	1.4
131.08562	6.5
133.10149	7.3
135.11713	3.1
137.13266	2.5
141.06975	1.1
142.07771	3.2
143.08540	4.8
144.09375	1.0
145.10114	7.6
147.11665	3.6
149.13335	0.9
155.01031	100.0
155.08562	2.1
156.01437	1.5
156.09320	2.0
157.10118	5.9
158.10799	1.4
159.11690	6.9
161.09596	3.0
165.02731	0.9
165.16414	0.9
167.28038	1.1
168.09419	1.1
169.10110	2.9
171.11687	3.7
172.03676	1.1
173.02003	1.0
173.13266	2.7
175.11273	1.0
175.14847	2.0
181.10243	1.1
183.11708	2.6
184.45853	0.9
185.13278	2.3
187.11240	2.0
195.11662	2.3
199.14824	1.0
201.16344	1.2
207.11473	1.2
209.13300	2.1
211.14795	1.3
221.97052	0.9
238.72653	1.0
239.23660	11.1
293.44412	0.9
304.26474	1.4
345.98917	1.0
348.89893	0.9
375.26883	1.2
393.23740	1.3
393.28192	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76461	0.5
54.03413	0.4
58.06584	0.4
67.05463	0.5
67.63014	0.4
68.04997	1.7
69.30357	5.6
70.06585	0.6
72.08131	0.5
72.35538	0.4
81.07004	0.6
83.94619	0.4
91.05477	0.7
92.95378	0.4
93.07013	0.5
95.08553	0.6
97.19525	0.5
105.06988	0.8
107.08569	0.8
127.03899	0.7
130.04996	0.7
133.10123	0.6
140.03415	0.9
148.05025	0.6
149.04605	0.5
151.11185	0.8
166.07283	0.5
172.05980	1.0
177.16328	0.5
201.06425	1.0
201.87338	0.5
202.07291	1.3
203.07953	2.6
204.08772	5.7
215.08006	1.9
216.08792	100.0
217.09445	2.6
218.10399	4.5
225.06439	10.3
226.07207	3.2
227.08018	1.9
228.08794	0.7
229.09489	0.7
230.10397	9.2
239.08044	0.6
240.08777	52.2
241.09489	2.5
246.09857	6.4
258.09845	2.9
268.08249	5.6
272.11429	4.5
283.09393	0.9
300.10883	50.4
301.11212	1.1
311.08853	0.9
333.13098	3.1
343.11496	2.4
361.12595	6.2
375.14069	6.4
393.15146	35.8
394.15134	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1905
Annotation	Lychnostatin 2
Peak:m/z	Relative Intensity
53.03931	0.5
55.05492	0.9
57.03433	0.2
57.55490	0.2
65.03934	1.0
67.05488	0.6
69.45455	2.0
71.04991	1.2
74.06852	0.2
79.05492	2.2
81.07053	13.8
82.07389	0.3
83.04951	0.5
85.02878	0.5
91.05478	10.8
93.07029	0.7
94.21317	0.2
95.04958	0.5
95.08585	0.2
97.06504	0.5
105.06995	0.5
107.08586	1.2
109.06508	0.7
109.10138	1.4
119.04936	24.5
120.05253	0.5
123.08110	0.2
123.11716	1.4
133.10126	0.8
147.04399	100.0
148.04762	2.9
151.11176	4.9
163.03999	0.3
169.12251	1.9
211.13275	0.7
229.14340	0.6
315.16000	0.3
333.16855	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1183
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.3
55.01878	2.6
56.96556	3.3
61.02922	4.1
65.15450	1.1
67.05487	1.3
68.99782	5.3
69.03417	4.7
71.01346	4.0
71.04980	4.4
71.62558	1.9
75.01476	1.3
79.05480	2.6
81.03403	4.4
81.07062	1.3
83.04955	2.1
85.02908	15.3
86.09686	1.6
87.00816	5.8
91.05483	9.7
93.07018	2.6
95.04945	2.0
95.08627	1.8
97.02893	55.1
98.97557	5.6
99.04440	4.3
103.05453	3.1
105.07018	3.2
107.04960	1.4
109.02876	2.6
109.93978	1.1
111.04443	17.1
115.05461	4.8
116.98616	3.6
117.07010	4.4
119.04951	11.4
120.08081	1.9
123.04408	1.3
127.03914	2.5
128.06230	2.7
129.01854	5.8
129.05484	1.5
129.06984	5.4
131.04880	3.3
131.08557	2.9
133.06468	2.8
133.10127	1.5
134.99667	2.4
135.04411	2.1
135.11687	2.0
137.05972	2.8
141.06967	5.0
143.04907	3.5
143.08614	1.2
144.05704	2.9
145.06479	8.5
146.03627	1.9
147.03014	2.8
147.04410	35.7
147.08023	1.1
148.04770	2.6
153.05467	7.0
153.06966	2.5
155.04849	1.2
155.08525	3.7
157.06485	4.6
158.07205	1.7
159.04468	1.6
159.08046	4.8
160.05235	2.8
161.05986	9.4
161.09576	1.2
163.03902	5.1
165.06985	5.2
167.07065	5.6
167.08362	1.5
169.06461	3.0
171.04407	1.8
171.07990	2.6
172.05225	1.7
172.08850	1.4
173.06003	14.0
173.09645	3.1
174.06679	1.7
175.03868	1.8
175.07538	4.6
177.00677	2.4
177.05513	6.1
177.09084	4.0
178.06213	3.4
178.09492	1.3
179.07018	3.9
182.07207	3.2
183.08037	6.4
184.05182	1.3
185.06006	4.9
187.07544	10.1
188.04594	2.3
189.03951	2.6
189.09048	1.8
190.06248	3.2
191.03400	3.5
191.07060	12.2
193.06560	2.1
193.08594	6.0
197.05919	3.4
197.09666	2.0
199.07532	2.4
200.04869	1.5
201.05309	2.8
201.09100	8.2
202.06195	6.3
203.06996	18.5
204.07785	2.2
205.05028	2.2
205.08643	7.2
206.05707	4.4
207.06516	4.0
210.06798	2.6
211.07538	8.1
213.05438	2.9
213.09145	1.5
214.06190	2.9
214.15189	1.5
215.03384	1.7
215.07002	5.1
215.10480	1.3
217.05048	1.6
217.08591	22.5
218.09181	1.8
219.10069	9.5
225.09142	6.0
227.07053	2.2
228.07753	3.1
229.08600	6.4
230.05672	1.5
231.06596	1.5
231.10143	2.8
232.07318	2.9
237.02847	2.7
238.06171	1.4
239.07047	3.8
243.10201	12.8
245.08023	6.6
247.09645	12.9
248.06773	3.6
253.08585	3.3
256.07260	1.7
257.08099	2.5
261.11203	2.4
269.07132	2.1
271.09653	19.0
272.09894	1.2
289.10699	100.0
290.11017	5.1
295.08603	1.7
325.09845	2.4
338.68475	1.3
375.10684	2.4
393.12372	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	392.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	1.2
57.03404	1.7
58.06600	71.0
69.03413	3.8
70.07289	5.9
70.07597	1.5
79.05492	3.2
81.03415	1.7
85.02908	9.5
86.09702	1.2
91.05468	3.1
93.58928	0.9
95.04958	1.2
97.02873	3.3
97.03800	1.0
103.05452	4.1
105.07011	3.6
107.04955	33.6
109.10121	1.0
111.24576	0.9
115.05453	2.3
120.08039	1.5
121.10160	2.0
123.04461	2.3
127.03937	1.9
131.04924	2.2
135.04387	1.1
135.07199	1.3
135.08061	10.0
137.05962	1.4
145.04887	2.2
145.07571	1.1
149.02348	1.5
151.03836	1.1
151.11168	1.5
154.06233	2.7
155.55443	1.0
156.94696	1.1
163.07539	30.5
167.07027	73.0
168.07388	2.1
169.06380	1.0
169.12193	2.3
176.74954	1.0
180.07768	2.1
181.08572	2.1
189.04414	1.2
194.15439	1.2
195.06468	1.3
195.10175	40.1
201.32927	1.0
212.16402	2.0
213.11209	100.0
214.11594	2.3
216.08875	6.9
240.08788	3.1
253.08516	1.3
265.08582	2.8
269.08203	1.3
294.38159	1.2
296.13599	1.3
297.11200	2.9
300.10852	4.0
313.10532	1.5
325.04431	1.1
341.16150	11.8
342.16943	14.7
356.15292	1.3
358.16348	3.7
360.14337	1.4
366.47723	1.1
374.15805	1.5
392.16974	5.0
392.22391	1.8
393.15125	3.7
393.20813	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	392.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
56.14088	0.9
66.42915	0.9
67.05517	4.6
69.96091	4.4
79.05493	1.2
81.07052	2.8
85.06529	3.8
87.84227	1.0
91.05479	13.8
93.07017	1.5
100.99274	0.8
101.02394	1.2
105.07031	16.1
107.08594	5.3
109.10152	25.7
112.10406	0.8
119.04939	27.5
123.11678	2.7
131.08594	1.5
133.10127	55.2
134.10437	1.7
147.04407	100.0
148.04726	1.8
150.02623	1.4
151.11163	10.4
165.05489	2.3
193.12305	1.5
211.13280	4.8
263.06870	1.0
357.16849	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	392.2066
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18381	0.4
57.07082	0.5
61.73017	0.5
63.48273	0.4
65.03944	0.7
67.05499	0.7
70.23318	2.2
79.05457	0.6
81.07042	1.2
84.08128	0.5
91.05482	10.5
93.07020	0.9
105.07024	4.3
107.08557	2.1
109.10176	1.5
119.04943	24.2
123.11702	3.9
133.10143	6.4
147.04407	100.0
148.04739	2.4
149.02379	0.8
151.11205	2.8
162.48738	0.4
165.05470	0.6
193.12268	2.0
194.75493	0.5
213.79895	0.4
331.49210	0.5
351.06812	0.5
351.17291	0.5
357.16733	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.0583
Annotation	Unknow
Peak:m/z	Relative Intensity
55.39848	5.0
56.96560	17.1
57.03429	20.7
61.02911	16.6
61.50343	5.2
68.17141	5.6
69.03423	25.4
71.04986	16.6
71.30907	13.6
73.02915	37.7
80.36882	5.4
81.03411	9.2
85.02908	63.6
87.04457	7.0
88.49054	5.6
91.05472	11.1
97.02885	21.8
98.97580	21.4
107.04929	6.8
112.99139	5.7
115.03905	5.8
115.84196	5.3
116.98629	11.5
119.01893	12.5
119.04954	11.6
121.06451	7.0
121.34246	5.0
127.03909	9.9
128.02327	9.0
131.00188	12.7
131.15045	5.6
133.03461	7.2
134.99690	6.3
143.00136	7.1
145.05020	6.9
146.99637	8.7
149.01198	13.8
149.02464	5.4
151.07494	7.2
158.99619	7.5
161.55450	6.8
163.03934	15.8
173.02895	9.6
178.04929	30.2
178.57281	5.6
189.00639	6.0
191.03893	7.7
198.98573	9.5
200.04411	8.0
219.01874	7.9
219.07220	7.2
221.04977	6.4
235.05353	6.0
237.02792	13.6
249.02783	7.3
257.02747	53.7
272.06451	23.4
272.56543	8.4
281.07120	9.2
294.05984	15.2
303.06345	7.7
312.09192	7.0
321.10217	16.5
322.10529	17.3
325.08682	11.7
355.09164	9.5
393.05679	100.0
409.63995	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	392.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05025	7.4
57.03436	5.1
58.06585	10.5
59.04996	16.8
67.05498	6.1
69.03420	8.7
70.06581	4.1
70.51538	10.5
71.04996	5.2
71.08620	4.4
74.06052	4.3
79.05479	6.4
79.96706	3.3
81.07051	37.7
85.02905	12.4
85.06579	3.1
86.09707	20.9
87.04453	10.7
91.05473	8.9
93.07041	57.1
95.04958	5.3
95.08570	5.0
97.06488	3.9
99.04383	3.1
105.07016	22.5
107.08601	8.2
109.02885	5.9
109.06435	7.3
109.10156	9.0
111.08074	31.5
121.10149	11.0
123.04423	4.8
123.11710	17.6
125.05955	4.5
127.03922	4.6
131.04942	4.7
133.10127	21.6
135.11783	4.0
137.05978	7.7
141.10201	5.4
148.71001	3.3
149.02350	9.8
150.02654	5.0
151.03868	9.6
151.11130	30.5
161.05930	4.5
163.07556	4.9
165.05510	4.7
167.06998	5.0
169.12221	100.0
169.13599	5.0
169.88388	3.3
170.38226	3.7
179.06989	4.1
180.10136	14.2
187.13312	58.7
195.10159	6.0
197.08168	6.8
203.12756	4.9
212.16537	6.8
213.11165	11.4
215.13779	4.8
230.17558	7.1
256.86884	3.2
259.08264	4.3
261.12665	5.2
272.46405	3.6
279.13745	5.2
357.99677	3.6
392.22412	12.3
393.14548	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	391.2242
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.5
55.01871	6.6
55.05511	19.8
57.03437	8.6
57.07077	8.5
67.05501	12.3
69.07068	25.7
69.49150	8.3
70.22662	0.9
71.08633	5.2
79.05508	7.4
81.07054	18.2
83.08616	26.7
85.10185	2.0
91.05481	1.7
93.07047	10.0
95.08601	12.9
97.06548	5.7
97.09551	0.9
97.10171	16.0
98.98464	86.3
107.08595	7.1
109.10138	4.4
110.97711	0.9
111.08073	3.6
111.11738	5.7
116.99500	3.6
119.08533	1.5
121.10142	14.4
123.11707	5.5
125.13251	1.5
133.10181	1.0
135.11696	10.9
137.13240	2.9
139.11113	1.0
140.01115	1.6
149.02356	6.1
149.13269	3.2
155.01038	100.0
156.01352	1.5
163.14914	2.1
179.97581	1.0
196.03773	1.1
219.21054	9.6
237.22121	26.3
314.92902	1.0
328.57465	1.1
391.26526	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.1704
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05024	0.9
58.06599	100.0
61.02911	1.3
68.99727	1.0
69.03412	1.8
69.48235	3.9
69.48663	3.3
72.08144	1.2
75.37856	0.8
79.05493	1.5
81.00876	0.9
81.07028	1.1
85.02892	5.5
91.05500	2.1
97.02899	1.5
98.06172	1.0
103.05492	2.1
105.07053	1.5
107.04951	21.9
109.10126	1.1
114.65097	0.9
115.05441	1.2
120.08101	1.0
121.10129	1.8
127.03958	1.1
135.08060	6.7
145.04973	1.1
149.02357	1.6
151.11165	2.0
163.07549	18.9
167.05627	2.1
167.07037	40.1
168.07394	0.9
169.12244	1.6
180.07753	1.1
193.06529	0.8
195.06424	1.1
195.10162	29.3
213.11220	49.1
216.08801	2.8
221.06242	1.1
224.78220	1.0
240.08788	1.7
241.08623	1.1
265.08594	3.6
269.07999	1.7
281.08096	1.9
282.08737	1.6
297.08203	1.1
297.11209	4.3
300.10913	2.0
313.10669	2.3
327.14432	1.2
331.14728	0.9
341.16238	14.9
342.17020	13.3
344.15088	1.9
354.11066	0.9
358.16339	4.9
360.14307	1.8
374.15912	2.1
392.16772	5.3
393.15463	1.3
393.20898	1.6
400.18887	1.2
419.06949	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1749
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80377	1.2
55.35270	1.2
57.07055	1.6
57.26196	1.2
58.06336	1.1
58.06581	6.9
59.24791	1.0
60.04520	1.2
67.05497	1.4
69.03391	1.9
71.04983	1.1
71.08606	1.0
71.58691	2.3
76.81729	1.2
79.05484	2.4
81.03414	1.9
81.07039	4.0
85.02903	2.5
91.05467	7.7
93.07042	2.8
95.04980	1.3
95.08620	2.3
97.02883	1.3
103.05458	3.7
103.33984	1.2
105.07024	6.5
107.04972	8.0
107.08595	3.1
109.10185	2.1
111.04413	1.6
117.07046	1.2
118.04170	1.3
119.04943	4.1
119.08575	1.9
121.02863	4.3
121.06506	4.9
121.10110	2.3
123.04440	2.1
123.08052	1.2
123.11700	3.6
128.06252	1.9
129.06978	7.4
130.06587	1.5
131.04929	4.4
131.08594	3.1
133.06488	2.0
133.10132	4.7
134.10484	2.3
135.08015	1.2
135.11783	1.4
137.05989	5.4
145.06514	2.8
145.07947	1.5
146.07274	4.2
147.04347	1.4
148.05188	3.4
149.02338	16.3
149.05942	1.6
151.03896	3.5
151.07544	3.5
151.11180	1.5
153.05486	1.6
157.06508	3.9
161.05975	100.0
161.09586	22.1
162.06329	1.7
163.03908	2.1
163.07556	3.9
164.14445	1.4
167.03450	2.0
167.07031	17.7
174.06775	4.6
175.07536	7.0
177.05495	1.7
177.09123	1.3
179.06975	2.0
180.07689	1.8
181.08589	12.5
189.09108	61.8
191.07043	2.6
192.10214	5.5
193.14185	1.8
193.15868	2.0
197.09674	1.4
207.10153	67.8
208.10498	1.3
211.13383	1.4
211.15262	4.8
212.16467	4.5
212.23703	1.2
219.10136	2.5
225.09062	1.5
229.16200	2.5
253.08536	2.1
257.11816	2.0
283.13184	1.2
285.11285	4.5
311.12759	1.3
315.12405	1.8
317.13889	5.6
331.15320	1.2
343.15387	5.2
361.16254	6.8
391.21494	3.9
392.22842	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.2119
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05016	2.2
57.67174	1.9
58.06581	1.9
61.02897	1.7
66.87588	1.5
67.71918	1.6
69.03411	7.1
70.30455	3.0
70.30868	4.7
72.08154	1.8
75.89893	1.5
79.05495	4.6
81.07050	1.5
83.04972	2.3
85.02914	12.5
86.09697	2.3
91.05456	6.9
93.07034	6.1
95.04922	2.9
95.08581	1.6
97.02881	4.8
105.07020	4.8
107.04951	69.9
107.08591	37.0
108.05305	1.8
108.08895	1.9
109.02814	2.1
109.06508	7.3
112.83804	1.8
119.08505	1.7
121.06488	6.5
121.10137	6.4
123.08040	4.2
125.09636	9.3
127.03867	6.9
131.08568	10.5
133.06505	2.9
134.88106	1.9
135.08017	1.9
137.05930	6.0
137.09605	2.5
139.11185	2.1
140.46658	2.0
145.04933	3.6
149.09613	38.7
150.09943	2.1
161.05972	7.6
163.11174	4.8
167.07037	8.0
167.10666	100.0
168.07817	4.1
168.10994	4.7
192.10420	1.5
192.13838	15.5
193.08545	5.2
193.12186	2.8
206.10207	5.2
210.14931	10.7
224.11240	1.7
228.09956	2.5
228.15918	5.5
277.34854	1.8
306.57129	1.6
372.20099	12.4
390.17917	7.6
390.21475	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	390.2484
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	1.3
65.61974	0.8
67.05488	2.0
69.07059	2.0
69.59536	3.7
69.59961	3.0
71.04982	2.9
79.05493	2.5
81.07075	4.8
83.08634	0.9
91.05474	3.6
92.05853	1.2
93.07019	4.9
95.04996	1.3
95.08619	9.1
99.08109	2.1
103.05497	1.2
105.07043	5.7
107.04966	1.7
107.08600	8.0
109.10108	2.0
113.09649	0.9
119.08586	18.4
123.11725	2.9
131.04929	2.0
132.05254	1.3
133.10133	100.0
134.10446	2.6
135.11694	20.9
137.05989	14.0
138.06326	9.9
139.06535	3.1
140.06781	2.5
143.01910	1.3
144.04390	1.1
145.04749	0.9
147.04449	2.0
147.11659	2.1
151.03897	1.5
154.50986	0.9
161.02972	1.9
161.06131	1.1
163.03970	1.7
163.07501	1.0
164.07846	1.5
167.07030	5.0
168.07307	2.0
169.07504	1.1
172.03899	5.5
173.04318	5.5
175.07642	1.5
175.14828	73.2
176.07880	1.5
176.15126	2.2
177.05559	1.2
181.05002	2.0
182.05394	1.6
192.07483	1.3
193.15891	53.3
194.16177	1.5
204.06511	7.9
205.06895	10.1
211.16910	1.5
217.08545	0.9
218.08949	0.9
240.07304	1.9
243.06088	1.2
285.07663	1.4
286.07925	3.9
301.10184	8.0
310.11478	1.6
314.10956	1.0
322.11600	1.4
354.14133	3.7
358.14664	4.5
360.14273	2.9
372.15155	3.5
390.15292	8.1
403.51312	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.3578
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07080	6.8
58.06601	2.4
60.91483	0.4
69.07031	0.4
69.87688	0.4
69.95437	2.3
70.06594	18.1
71.08634	2.0
72.08148	2.0
74.09744	0.5
84.08141	1.9
85.10179	1.2
86.09705	3.5
88.07633	5.8
96.83900	0.4
102.09202	3.3
107.08582	0.4
107.38602	0.4
108.12197	0.4
114.09207	0.5
132.10210	8.6
146.11769	7.9
147.04407	0.4
149.02396	2.0
236.63739	0.4
240.26894	1.6
266.28510	1.2
276.75461	0.4
284.29468	10.5
328.32120	37.9
329.32385	1.5
372.34708	1.0
390.35788	100.0
391.36096	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	390.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02357	0.2
53.03930	0.6
55.01858	1.0
57.03430	0.5
60.02170	0.2
60.04499	0.3
60.95093	0.2
61.02917	0.8
63.67170	0.2
65.44654	0.2
68.77464	0.2
69.03424	1.5
69.54084	1.4
70.06577	0.3
71.04978	0.2
72.08130	0.4
73.02912	0.6
79.05483	1.6
81.03405	0.8
81.07062	0.2
85.02898	6.1
86.09689	0.5
87.00830	0.6
88.57758	0.2
91.05466	0.4
93.06999	0.3
95.04968	1.6
95.08603	0.2
97.02876	1.4
97.14852	0.2
99.04453	0.8
103.05507	0.2
105.01830	0.3
105.04494	0.2
105.07023	1.4
107.04945	100.0
107.08572	1.5
108.05268	2.4
109.02876	0.8
109.06517	0.3
111.04436	0.2
116.68560	0.2
119.04955	0.3
121.06468	0.5
121.10140	0.2
123.04403	0.4
123.08062	0.3
123.81817	0.2
124.07573	0.2
125.05996	0.3
125.09613	0.5
127.03899	2.7
127.98506	0.2
129.01828	0.2
131.04958	0.3
131.08537	0.4
133.06467	1.0
133.10197	0.2
137.05954	0.5
143.03381	0.9
145.04958	2.0
149.02362	0.2
149.05974	0.3
149.09616	1.5
153.05461	1.1
159.02870	0.4
161.05948	2.3
167.07019	3.9
167.10654	3.4
168.07814	3.3
182.09409	0.3
193.08588	1.7
210.08788	0.3
210.14917	0.6
211.09593	0.4
211.15979	0.2
228.09927	2.8
228.12262	0.3
228.15971	0.4
231.04878	1.2
248.07657	0.4
249.06047	1.5
284.09796	1.4
287.67850	0.2
291.08112	0.2
299.62772	0.2
343.68860	0.2
390.10571	0.2
390.18018	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	390.212
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.6
56.05023	9.2
56.58152	2.5
57.03428	3.7
58.06602	14.7
59.04988	8.9
61.02938	2.6
63.51926	2.5
67.05508	11.7
69.03422	14.2
69.07051	3.2
70.06597	4.4
71.04995	3.3
71.61483	3.3
72.08126	3.1
74.06067	7.3
79.05486	6.8
81.03434	2.5
81.07057	18.8
82.06575	3.4
83.04967	7.6
83.08703	2.5
84.08141	2.7
85.02898	15.9
86.06072	10.6
86.09702	4.1
91.05489	18.9
93.07037	24.6
95.04976	12.5
95.08613	5.5
96.08082	3.0
97.02861	7.1
98.06063	8.9
98.97639	2.4
100.07632	9.0
102.05520	3.7
102.10220	2.3
105.07024	16.0
107.04915	4.6
107.08590	41.0
108.08121	3.2
109.02863	3.1
109.06501	16.4
109.10154	10.6
110.03643	2.5
110.06030	10.0
111.04447	5.5
111.08070	9.2
113.02318	3.2
114.05540	3.7
119.08572	7.3
121.06491	4.3
121.10143	14.7
121.10892	2.7
122.06057	3.6
122.09707	3.7
123.04415	2.8
123.08078	6.2
123.11719	21.0
124.07587	4.5
126.05499	6.1
127.03912	5.5
129.07050	3.4
131.08539	14.3
132.08124	4.7
133.10103	25.1
134.09671	7.6
135.08064	13.4
135.11659	2.5
137.05954	4.7
137.09592	13.1
140.07079	6.3
142.07828	3.1
147.11560	2.8
148.11206	6.2
149.09604	36.0
151.11183	31.4
152.10695	6.2
153.09093	10.2
157.04982	6.1
157.10106	5.0
159.10339	3.0
161.05888	4.9
163.11182	12.7
167.07069	4.5
167.10678	11.4
174.12784	17.5
175.11194	7.8
186.07610	13.7
187.06053	7.8
192.10229	4.6
192.13808	68.0
194.15356	2.4
204.08688	38.0
204.10475	4.3
205.06972	4.1
210.14885	100.0
222.09720	34.5
228.16031	7.9
245.67400	2.7
262.57465	2.7
307.96756	2.7
372.20157	51.6
390.14581	21.3
390.21005	20.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1754
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41439	1.1
54.00362	1.3
57.03445	1.8
59.26511	1.1
61.02923	1.7
69.03416	2.6
69.95898	7.0
74.70121	1.2
79.05491	3.7
81.03406	1.6
81.07077	1.6
85.02898	14.8
91.05482	3.4
97.02893	3.4
103.05460	5.2
105.07023	44.7
106.07323	2.0
107.04928	2.2
109.06487	1.6
113.79556	1.1
115.05460	7.8
116.50898	1.1
117.28441	1.1
118.04178	3.3
119.04937	4.4
121.06534	2.2
127.03874	1.8
131.04938	1.5
133.06488	50.9
137.05952	1.4
143.06046	2.7
145.04956	2.9
147.04433	1.5
149.05962	3.8
151.07472	2.8
153.05466	1.7
161.05972	100.0
162.06288	2.1
167.07005	2.4
168.07854	1.8
176.09250	1.1
179.07076	1.9
180.08661	3.3
193.08594	77.7
194.08919	2.1
196.07310	2.0
210.14999	1.9
211.09639	14.3
221.75938	1.3
228.15898	1.4
265.73395	1.2
372.20261	1.4
390.17511	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	389.2169
Annotation	Ascleposide E
Peak:m/z	Relative Intensity
53.03946	1.6
55.05504	1.5
55.91734	1.0
57.03429	2.9
57.07098	1.2
58.06609	1.3
59.04995	0.9
61.02919	1.4
65.85928	1.0
67.05500	3.4
69.03426	7.0
69.07056	2.6
69.79256	4.3
69.79672	2.1
71.04991	24.1
79.05487	3.1
81.03415	2.8
81.07075	5.7
83.04974	2.1
83.08625	2.5
85.02914	15.6
85.06541	9.2
91.05473	3.3
93.07060	4.9
95.04982	1.5
95.08608	5.6
97.02943	4.6
97.06524	2.3
97.10162	0.9
98.21434	1.8
99.04455	88.2
103.05505	5.9
105.07022	3.3
106.92476	1.0
107.04980	2.8
107.08595	17.4
109.02875	2.7
109.06518	4.0
109.10149	6.8
111.08066	1.7
113.09652	3.0
115.07601	1.1
119.04994	1.2
119.08578	2.9
121.06528	1.6
121.10130	8.4
123.08064	13.1
123.11707	8.8
125.09660	5.6
127.03912	2.0
131.04941	10.1
131.08578	3.3
133.10101	11.5
134.44164	0.9
135.08070	2.3
135.11644	1.3
137.05971	2.4
137.09634	1.1
139.11165	4.2
141.12761	1.4
145.05025	1.8
145.10112	2.0
147.11670	3.4
149.09622	4.0
149.13255	6.6
151.07564	1.0
151.11189	6.0
153.09120	1.2
159.78693	1.1
163.07523	4.8
163.14816	2.0
165.12750	2.9
167.07022	6.3
167.10661	3.3
169.12248	9.0
173.05911	1.1
173.13261	6.8
175.07529	2.1
183.13812	32.1
185.11597	1.0
190.37228	1.0
191.06973	1.8
191.14345	10.1
209.15370	16.3
210.15672	1.1
221.09625	1.2
223.09143	1.1
227.16415	100.0
228.16724	3.8
236.42046	0.9
249.09035	1.6
277.08691	1.7
294.09024	1.3
300.09808	1.1
309.11310	4.1
327.12393	2.0
329.13895	2.2
341.13870	5.8
371.14807	2.1
390.15414	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2168
Annotation	Breyniaionoside D
Peak:m/z	Relative Intensity
51.25015	0.9
53.03941	1.4
55.01868	1.1
55.05495	4.0
55.71807	0.9
57.03418	2.7
57.07064	1.8
58.06580	1.4
59.04983	1.0
61.02907	1.4
65.03955	1.0
67.05490	2.9
69.03438	5.1
69.07062	6.6
69.49584	7.5
71.04978	4.2
79.05503	4.9
79.41685	0.9
81.07044	6.4
83.04963	3.0
83.08603	2.1
85.02898	11.2
85.06544	1.5
86.09690	1.3
90.72150	0.9
91.05459	4.1
93.07037	7.9
95.04948	2.0
95.08606	15.6
97.02869	3.1
97.06509	3.1
97.10166	2.5
98.03116	1.0
98.20760	2.2
99.04478	1.4
99.08080	2.9
103.05458	1.6
105.07041	5.7
107.04939	2.8
107.08586	17.3
109.02868	1.7
109.06474	2.7
109.10155	11.5
111.08039	2.7
117.07000	1.6
119.08566	4.5
121.06500	0.9
121.10132	21.4
123.08058	4.3
123.11676	5.0
125.09615	2.1
127.03889	1.9
127.07646	1.2
127.11177	23.7
131.04860	2.3
131.08571	4.6
133.10126	17.7
135.08066	6.3
135.11670	6.8
137.05988	3.4
137.09622	9.0
137.13245	9.8
139.07556	1.5
139.11182	1.3
145.04964	1.3
145.06514	1.4
145.10126	2.0
147.11650	4.6
149.09610	48.8
149.13245	14.1
150.09874	1.2
151.11211	5.8
153.09117	3.0
153.12817	1.2
156.05669	1.2
158.10875	2.0
163.07556	1.3
163.11211	1.4
163.14825	14.9
165.12724	7.5
167.07002	5.1
167.10664	1.1
167.14244	2.2
173.05984	1.4
173.13260	18.1
175.07434	1.3
177.61351	0.9
183.13725	0.9
191.14296	34.2
192.14740	1.9
193.15857	1.5
205.08641	1.1
209.15341	39.9
210.15732	1.3
217.08589	3.6
227.16411	100.0
228.16693	4.7
265.09613	1.2
293.09143	1.1
339.09531	1.1
339.41342	1.0
371.15192	1.3
389.16681	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1593
Annotation	4'-Demethyltraxillagenin
Peak:m/z	Relative Intensity
55.01862	15.7
57.89920	3.0
58.02687	3.2
61.80861	3.8
65.03931	24.7
67.05487	6.4
69.03434	3.8
70.91609	11.1
79.05482	6.6
81.07048	8.4
85.02888	5.4
91.05482	8.5
92.35504	3.5
93.03407	5.2
95.04966	3.5
95.08586	6.6
97.06541	4.0
103.05453	7.8
105.07013	4.5
106.04160	3.6
107.04944	9.5
107.08638	5.3
109.10152	5.7
110.03648	25.4
111.04469	17.8
112.17000	3.9
115.05476	8.1
117.06949	4.8
121.02870	13.7
121.06474	6.3
123.04388	4.9
124.79573	3.6
125.06007	18.9
129.07027	5.4
131.04895	18.2
137.05975	24.9
145.06485	6.4
147.08005	4.9
149.06018	5.0
151.07512	8.0
153.05466	29.3
157.06444	3.4
161.05913	4.9
163.07529	6.3
167.07031	37.9
174.06731	8.3
175.07513	31.3
177.05489	12.5
181.04951	52.1
181.06459	7.6
183.06529	8.2
187.07408	4.8
189.05338	3.4
189.09059	9.3
195.08096	6.0
195.10139	9.6
197.05943	4.0
206.07224	5.3
209.08105	25.0
211.07440	5.2
211.40366	3.7
217.08455	5.5
219.08073	7.3
219.10161	78.1
221.09578	5.7
223.07585	8.9
224.08394	3.5
225.09076	6.2
227.07086	6.2
227.10579	4.0
238.06032	5.2
238.09799	9.9
239.06961	8.3
240.07745	12.6
241.08531	4.5
249.09106	10.5
252.07834	8.3
253.08618	28.2
253.12126	12.2
254.09286	4.4
255.06541	5.5
255.10133	11.1
264.07916	4.4
265.08276	3.8
266.09509	4.6
267.10132	4.8
269.07953	5.5
270.08817	3.9
277.08618	8.1
281.08200	8.1
281.11728	11.4
282.08801	5.9
283.09653	13.7
285.11212	4.7
295.09586	4.6
298.08298	3.7
298.11707	4.3
299.12701	13.9
300.09808	9.2
309.11221	16.2
313.10663	34.7
313.14331	21.2
327.12262	73.2
328.12924	9.3
331.15265	9.7
339.12314	14.0
341.13687	26.8
359.14832	100.0
360.15109	6.9
371.14856	19.9
372.15634	4.4
389.15753	38.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1594
Annotation	Dihydrosinapyl ferulate
Peak:m/z	Relative Intensity
53.03945	0.8
55.01870	32.9
55.05498	1.4
55.44332	0.7
56.19329	0.7
58.08020	0.7
60.51197	0.7
65.03938	7.0
67.05499	3.9
69.03426	1.6
69.07047	1.1
70.01682	3.3
71.04984	0.7
73.14463	0.6
76.04254	0.7
79.05479	3.5
81.07049	2.7
82.04189	3.3
83.04955	4.1
83.08606	1.6
85.02896	5.1
91.05470	2.5
93.03393	1.7
93.07035	1.7
95.04955	4.4
95.08594	1.6
95.24310	0.8
97.02856	1.0
97.06525	2.0
101.06023	1.3
103.05465	13.4
105.06994	1.4
107.04958	8.4
108.02095	1.4
109.06510	1.4
110.03664	3.6
111.04455	2.0
111.79312	0.9
115.05470	2.0
117.03398	0.9
117.07040	1.3
121.06535	3.9
121.10262	0.8
122.03640	2.9
123.04364	3.8
124.05238	1.7
125.05984	2.7
128.06230	1.2
129.06996	8.2
131.04935	14.9
133.06491	1.1
135.04385	1.6
137.05972	30.1
138.03117	2.6
138.06262	1.1
140.04625	1.4
142.02585	2.1
145.02893	0.9
145.06445	3.5
147.04393	1.8
149.05986	9.4
151.03899	0.9
153.05481	2.9
155.07039	2.1
157.06473	7.9
159.04387	1.2
160.05176	3.3
161.05975	2.1
163.07552	8.1
167.07030	23.2
167.08408	1.2
171.06508	6.3
173.05914	0.9
174.06783	3.9
175.07544	12.3
177.05460	35.7
177.08994	1.4
178.05908	0.8
181.04947	100.0
182.05290	2.4
183.06470	1.8
185.05946	1.2
187.07571	1.5
189.07228	1.3
189.09103	8.8
191.07013	2.0
199.07553	0.9
205.08649	2.4
209.08076	54.6
210.08455	1.7
217.06587	1.3
217.08533	7.8
218.07303	1.6
219.08078	1.9
219.10220	2.4
221.08040	1.1
233.09645	1.8
234.06676	2.5
235.07634	1.1
235.09720	2.6
238.62634	0.9
249.09074	4.0
261.09070	3.9
262.09805	0.9
265.08640	0.8
277.08649	7.0
278.09296	1.6
279.10233	0.9
281.11771	0.9
289.08450	1.0
291.10147	1.1
293.11743	1.7
307.09506	1.3
309.11176	4.2
311.12753	1.8
321.11230	2.8
339.12238	10.7
340.12958	1.1
341.13785	3.0
353.27002	1.9
357.13705	1.0
359.14844	3.1
371.14856	14.7
371.27823	1.2
389.15915	59.7
390.16290	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2168
Annotation	Breyniaionoside D
Peak:m/z	Relative Intensity
52.11414	0.5
55.05503	1.0
57.03410	0.6
57.23167	0.5
57.65604	0.5
59.04999	0.5
59.62471	0.5
61.02905	0.7
67.05492	1.7
69.03423	2.2
69.07069	0.7
71.04992	7.6
71.54025	1.2
79.05495	1.7
81.03407	1.2
81.07055	1.0
82.36011	0.6
83.01369	0.7
85.02900	7.8
85.06541	2.4
91.03982	0.7
91.05459	1.1
93.07040	3.1
95.08626	1.6
96.50890	0.5
97.02880	1.9
99.04453	27.0
100.04799	0.6
105.07034	1.9
107.08590	5.1
107.52093	0.6
109.02883	0.8
109.06528	1.6
109.10163	1.8
113.09665	1.1
119.08555	1.1
121.10136	4.9
123.08056	3.0
123.11693	2.6
125.09669	1.4
127.03918	1.6
131.04935	1.2
131.08466	0.7
133.10120	3.4
135.08014	0.8
137.09586	1.7
138.56583	0.6
139.11130	0.6
145.04990	1.4
147.11661	1.4
149.09615	100.0
149.13274	1.7
150.10030	3.5
151.11166	2.2
154.06563	0.7
165.12779	0.7
167.10674	0.8
169.12271	2.1
173.13268	1.7
181.06987	0.5
183.13802	7.6
191.14304	6.5
209.15352	14.1
227.16429	23.0
228.16747	1.0
389.10184	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1591
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02356	0.5
53.03945	0.9
58.06596	3.1
63.39301	0.5
63.51730	0.5
69.03426	0.8
70.80177	0.6
70.80527	1.4
72.08145	0.5
74.06091	0.7
77.03890	0.7
79.05454	0.8
79.06781	0.5
81.07027	0.8
85.02895	1.2
85.06529	0.7
86.09695	2.9
89.06036	2.6
90.06333	0.5
91.05468	2.2
93.07029	1.0
95.04971	1.6
103.05461	52.3
104.05779	1.3
105.07024	1.0
107.04934	1.6
107.08595	0.9
109.10149	0.7
115.85233	0.5
121.06510	0.5
121.10134	1.3
125.09639	1.2
131.04921	100.0
132.05260	3.2
133.06502	1.1
133.08609	0.6
133.10109	1.7
134.10490	0.6
137.05984	3.7
145.06342	0.7
147.04405	1.1
149.05968	1.3
149.09636	1.4
153.05490	1.2
153.09123	0.6
153.76103	0.7
161.05974	2.9
163.07536	48.1
164.07912	0.9
167.07005	2.9
175.07552	1.1
177.05458	1.2
179.07053	0.6
187.07579	1.5
205.08572	0.8
209.08116	0.9
209.15395	1.3
212.99567	0.5
217.08575	1.2
226.06219	0.6
251.99414	0.6
277.08664	0.5
285.07663	1.2
300.09961	1.5
321.11319	0.7
341.14145	0.6
347.02939	0.6
353.13815	1.0
371.14920	0.6
389.13873	0.9
389.18048	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1594
Annotation	Dihydrosinapyl ferulate
Peak:m/z	Relative Intensity
55.01866	22.9
61.61003	4.2
63.33378	3.4
63.61405	3.6
64.19608	3.1
65.03937	7.8
67.05505	4.2
68.10095	3.1
70.96637	8.3
71.04976	4.7
72.89947	3.5
77.02878	3.5
79.05470	10.6
81.03423	4.6
81.07066	7.2
84.01773	3.5
85.02890	13.2
89.03905	5.4
89.37519	3.6
91.05476	19.2
93.03411	3.8
93.07063	4.8
95.04941	18.7
97.06502	5.4
98.97543	7.5
103.05452	14.8
105.07006	6.3
107.04950	17.5
115.05454	6.4
116.98567	4.1
117.06989	6.0
119.04922	10.2
121.06484	5.9
122.03614	5.9
123.04417	12.6
123.08082	5.2
124.05217	4.3
128.06229	5.9
128.25845	3.0
129.06960	9.0
131.04929	23.5
131.08597	4.0
133.06483	6.4
135.04431	4.8
137.04984	7.0
137.05972	73.7
138.06334	8.0
140.04611	5.5
145.06485	9.0
147.04442	10.4
149.05963	7.9
151.03873	15.3
151.07542	33.0
153.05437	7.0
157.06491	6.1
159.08055	8.6
160.05164	10.2
161.05983	10.8
161.39305	3.6
163.03864	20.4
163.07504	12.0
164.99306	3.3
167.07028	71.9
171.06505	6.8
173.05917	5.9
174.06750	7.1
175.07547	100.0
177.05479	22.7
179.07016	6.0
181.04984	50.3
181.08473	3.9
182.05367	4.7
183.06525	12.1
187.07472	6.7
189.09109	12.0
191.07072	4.1
195.10167	31.9
197.21596	4.4
201.09145	13.0
205.08472	7.5
207.06551	7.3
209.08080	40.4
211.07462	3.8
217.06671	4.0
217.08516	20.0
218.07245	4.6
219.10184	61.4
227.18295	4.4
233.09631	5.1
235.07555	4.6
237.05452	4.1
239.07057	22.4
241.08612	7.8
247.09645	8.4
249.09276	4.9
252.07820	9.8
257.08054	6.8
261.09091	13.3
263.06900	3.8
277.08536	15.4
280.07425	5.7
285.07581	59.8
293.11716	10.0
300.09927	82.0
301.10526	6.1
307.09335	7.1
309.11166	10.6
311.09113	4.5
313.10703	11.8
321.11142	14.0
323.88797	5.0
327.12085	4.6
339.12289	21.0
341.13840	6.2
353.13959	26.4
357.13211	6.5
371.14899	31.0
389.16010	52.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1576
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	2.1
55.05488	2.0
56.05010	3.1
56.96560	10.4
57.03421	5.8
58.06578	2.3
59.05006	2.1
61.02919	3.7
61.14855	1.9
69.03429	7.6
69.56720	2.6
69.57130	13.5
70.06583	4.7
71.04991	5.0
71.91618	1.8
72.08153	6.5
73.02917	7.6
79.05489	3.4
81.03416	3.8
83.04985	3.4
83.06099	2.6
84.04515	17.6
84.08150	8.3
85.02902	16.0
86.03233	2.5
86.09682	11.3
87.04488	2.0
89.03905	10.3
90.05562	3.4
91.05456	3.6
95.04972	3.5
97.02886	7.7
98.97555	7.3
101.06052	2.5
102.05547	5.3
102.06286	1.9
105.06988	1.9
107.04964	26.7
109.02905	4.5
116.98623	8.6
117.03387	8.3
119.01909	2.1
119.04980	2.5
121.02944	1.9
121.06489	3.7
123.04361	2.7
127.03905	5.4
128.98663	2.3
129.06572	3.4
129.10229	4.8
131.00084	2.4
131.01836	1.9
132.10214	3.5
134.99666	5.2
135.04390	18.3
137.05962	6.5
143.00182	8.6
145.02731	10.3
145.04935	4.4
146.99594	4.9
147.04401	2.5
148.04771	2.3
149.01219	5.1
158.99649	2.9
161.01208	10.9
161.02750	2.6
163.03908	100.0
164.04219	5.1
165.57156	2.1
167.06973	2.5
168.02017	1.7
170.99634	2.2
171.05186	2.3
172.95311	2.8
173.03160	2.2
177.00711	3.7
178.04977	2.4
182.05188	2.0
189.00629	7.5
191.02382	2.6
197.02945	2.1
201.00809	2.2
201.06059	2.4
203.02275	4.5
203.05319	3.2
219.01694	3.6
225.05835	2.7
232.05194	2.0
237.02814	6.1
240.09874	4.4
249.02808	6.6
251.04314	2.2
258.10965	2.5
267.03970	6.7
269.05249	3.5
287.06558	2.2
293.05899	5.7
294.06949	2.1
317.08691	2.1
324.84412	1.9
335.06183	2.4
345.09271	2.1
371.19351	2.3
389.08469	14.5
389.16092	77.4
390.16306	5.6
405.07025	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	389.1571
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96556	2.6
58.31689	0.5
62.25510	0.5
69.03430	0.8
69.07080	0.5
70.06593	0.5
70.84444	1.0
73.02921	1.0
73.04093	0.5
73.79303	0.4
81.07047	0.6
84.96076	0.4
85.02910	1.5
86.09698	7.3
91.05503	0.7
93.07042	0.7
97.02889	0.8
98.97575	5.4
105.07022	0.6
107.08592	0.8
116.98635	3.9
127.03960	0.6
131.04955	1.1
133.10139	0.9
134.99683	1.5
140.04669	2.0
143.11774	1.2
145.01758	0.6
153.12695	1.3
155.07043	3.3
171.11345	0.9
173.04857	0.8
177.00728	1.1
181.04993	4.6
183.06885	0.7
191.05858	0.5
199.06462	0.5
209.08099	1.5
209.15364	0.7
219.13472	0.8
227.09299	7.4
227.12550	2.0
229.07483	1.8
245.10527	5.5
251.09642	0.6
269.10565	11.0
270.11026	0.8
284.19763	0.6
286.97891	0.5
287.11606	6.9
304.08029	0.9
371.17294	0.6
380.13983	0.5
389.18100	100.0
390.18521	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	387.2528
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.7
55.01857	2.0
55.05494	1.7
66.71568	1.0
67.05504	2.7
69.07083	1.4
69.90814	3.0
69.91231	3.1
79.05492	13.8
80.47380	0.9
81.07053	15.5
82.03156	1.1
91.05475	8.0
93.07044	36.4
95.05001	2.3
95.08582	1.9
105.07037	4.9
107.08593	72.3
109.06530	2.5
135.11690	100.0
136.12019	2.4
137.13235	6.0
153.12682	1.6
207.13838	1.2
219.54843	0.9
251.29781	1.2
305.57086	1.0
328.24286	1.2
387.25220	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	387.2527
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87105	0.4
53.03942	1.3
55.01873	3.0
55.05517	1.4
55.25189	0.5
65.03938	0.9
67.05491	2.5
69.07058	2.5
69.56281	4.0
77.03910	0.6
79.05492	13.6
81.07054	15.7
83.92486	0.4
91.05476	6.9
93.07037	38.5
94.07360	0.6
95.04977	1.7
95.08599	1.8
98.20751	0.7
105.07024	4.8
107.08589	71.1
108.08932	1.7
109.06517	1.7
109.10143	1.4
126.81623	0.4
135.11684	100.0
136.12024	3.1
137.06003	0.6
137.13229	5.7
153.12715	3.3
207.13861	0.9
227.79395	0.4
312.71387	0.5
387.25119	3.2
387.29486	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1563
Annotation	Flustramine A
Peak:m/z	Relative Intensity
55.05494	3.2
56.96556	11.9
69.03422	6.1
69.07068	3.6
70.06597	6.6
71.02080	6.8
72.08160	14.9
72.08493	2.3
74.06090	3.1
79.05492	4.5
81.07053	7.3
84.04477	3.1
84.08178	2.8
85.02893	10.2
86.09689	12.5
86.65777	2.6
88.04017	2.4
91.05464	3.8
93.07059	7.2
97.02888	5.5
98.97602	15.2
103.05462	5.1
105.07050	4.5
107.04952	7.6
107.08586	10.6
116.53743	2.6
116.98631	12.9
121.02859	3.2
131.04929	6.7
131.08583	6.4
133.10164	3.9
134.99661	4.7
135.07973	2.6
137.05896	3.3
145.01700	3.0
147.03284	4.1
149.09624	4.4
158.99684	5.8
163.02704	4.8
167.07088	3.5
191.14360	2.6
195.07816	6.6
209.11600	7.1
216.81328	2.6
219.01666	4.7
227.09528	3.9
227.12672	3.1
237.02760	14.2
237.08748	8.4
245.10522	6.0
263.11725	2.5
269.10516	3.0
276.10614	2.7
283.08606	3.7
285.10870	5.4
290.12842	5.2
383.40649	2.6
389.15155	100.0
390.15720	5.3
407.15640	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	387.2011
Annotation	Macarangioside D
Peak:m/z	Relative Intensity
53.90638	4.6
55.05502	9.0
56.09067	4.9
57.03416	4.9
59.61641	4.8
65.03889	5.5
67.05486	21.9
69.03422	10.9
69.07051	5.6
69.94283	16.9
69.94699	10.9
81.07053	10.3
83.04950	5.4
84.01324	4.9
84.69716	5.2
85.02898	33.3
85.06529	17.1
91.05497	7.3
93.07018	14.2
95.04959	10.5
95.08607	90.4
97.02885	12.1
98.20850	7.2
99.04434	17.1
105.07024	8.9
106.58508	5.0
107.08592	12.6
109.06518	8.5
109.10161	13.6
113.05985	14.2
119.08584	29.7
121.10240	9.3
123.08037	31.7
123.11690	28.0
125.05978	6.9
127.03979	7.2
127.11201	7.0
133.10136	14.6
135.11699	16.3
147.11682	15.2
149.09621	43.9
151.07524	7.5
161.13278	12.1
163.11205	8.7
165.09102	20.7
165.12764	11.8
173.13345	5.7
178.71971	5.0
179.14278	5.2
189.12733	20.0
194.61543	4.7
207.13794	100.0
225.14883	32.5
333.16785	5.9
351.18066	8.7
352.68524	6.2
387.20264	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2011
Annotation	Glochidionionoside C
Peak:m/z	Relative Intensity
52.36906	2.1
53.73680	2.2
58.06583	6.1
61.02898	2.2
66.33781	2.0
67.05472	3.8
69.03428	15.9
69.07021	2.3
71.04987	5.7
71.35447	2.9
75.33833	2.4
77.72497	2.4
79.05494	6.4
81.03409	9.5
81.07028	4.6
81.09139	2.4
83.04971	6.5
85.02901	23.5
86.09711	3.4
91.05482	8.4
93.07040	16.0
95.04965	3.4
95.08600	10.2
97.02882	6.5
99.04457	5.3
99.08067	3.0
101.19808	2.4
105.07034	19.1
107.08588	20.4
109.06544	3.4
109.10128	8.4
119.08583	32.9
121.09310	4.3
121.10141	57.7
123.08063	4.8
123.11695	5.2
125.05993	4.6
127.03844	5.9
131.08560	18.1
133.10124	9.8
135.11667	11.6
137.05977	4.9
137.09596	18.2
143.08560	6.6
145.04971	3.7
145.10074	8.8
147.11679	18.9
147.68854	2.3
149.09610	100.0
150.09908	4.6
152.30920	2.2
156.09294	9.6
159.11700	8.9
161.09622	4.7
161.13263	44.0
165.12741	9.3
167.06981	5.7
167.10609	3.6
171.11684	26.1
179.14302	7.5
182.78827	2.4
189.12750	54.2
197.41020	2.4
207.13789	42.8
225.14821	11.4
387.14670	4.1
387.19751	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	387.1623
Annotation	Unknow
Peak:m/z	Relative Intensity
56.13028	0.2
67.48427	0.2
70.75050	0.8
85.02897	0.6
85.43209	0.2
101.84525	0.2
112.21859	0.2
123.04427	0.2
127.03880	0.2
131.08574	0.3
147.24475	0.3
149.09631	0.5
167.07022	4.0
203.05272	0.8
207.09886	0.6
211.09752	0.3
225.10988	0.9
240.57249	0.2
259.07892	5.9
329.30984	0.2
351.14014	0.5
369.15207	8.0
370.15445	0.3
387.16232	100.0
388.16287	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1622
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03410	0.9
70.35247	0.3
71.03902	0.7
79.05474	0.4
81.03418	0.6
81.43851	0.3
85.02892	1.9
91.05460	0.3
93.07033	0.6
95.01293	0.5
95.04952	0.7
96.66308	0.3
105.07034	0.9
107.04936	1.2
107.08581	0.6
121.06538	0.5
123.04423	1.8
124.05202	0.6
127.03892	0.5
147.11688	0.5
149.06001	0.6
151.07536	0.4
163.11174	1.0
164.61789	0.4
166.06456	0.5
167.07034	39.2
168.07387	1.9
179.07191	0.3
181.08572	0.6
189.12711	0.5
193.08549	1.9
199.10190	0.3
207.13835	1.4
211.09669	2.3
225.10974	6.2
225.14638	0.5
249.78839	0.4
387.16266	100.0
388.16644	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	387.1801
Annotation	(+)-Diaeudesmin
Peak:m/z	Relative Intensity
51.02369	0.3
53.03938	0.5
60.04508	0.1
62.36147	0.2
63.78748	0.1
65.72981	0.1
67.05507	0.2
69.03408	0.8
77.03893	0.2
79.05495	3.7
81.03413	0.6
81.07064	0.3
83.04973	0.1
85.02893	0.2
91.05469	0.5
93.07035	1.0
95.04980	0.9
95.08584	0.2
97.02909	0.2
99.04458	0.2
103.05473	2.3
103.17062	0.1
105.07030	100.0
106.07371	1.6
107.08588	0.2
109.10159	0.5
111.04482	0.2
119.04957	1.7
121.06526	1.3
123.11746	0.2
127.03893	0.2
137.05997	0.4
147.04420	0.6
148.04784	0.3
207.13806	0.2
387.17999	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1437
Annotation	Magnolone
Peak:m/z	Relative Intensity
52.03182	0.2
53.03925	0.3
53.87436	0.2
55.01866	0.4
65.03950	1.3
66.04712	0.3
67.05492	0.5
71.14508	0.2
71.14857	0.5
78.04720	0.2
79.05482	1.4
81.03409	0.5
81.07051	0.6
85.02902	0.4
91.05465	1.1
94.04191	2.6
95.04968	0.6
97.02901	0.2
97.06529	0.7
100.75568	0.2
103.05479	1.7
105.07018	0.5
107.04942	0.9
108.02103	0.4
109.06474	0.3
110.03666	0.5
111.04437	0.4
115.05460	2.0
117.07025	1.6
118.04166	0.5
119.04932	0.2
122.03643	6.6
123.04408	0.8
125.05974	0.5
131.04935	1.9
133.06480	0.5
137.05972	100.0
138.03122	0.2
138.06323	1.7
139.03885	0.4
143.04927	3.2
145.06470	2.9
147.08047	0.4
148.05208	0.9
149.05986	0.4
151.03897	5.9
151.05087	0.4
152.04666	0.3
153.05431	0.4
155.06073	0.5
161.05931	0.5
163.07559	1.7
165.05476	0.4
167.07037	11.8
168.07358	0.3
171.04424	0.3
171.06537	1.1
173.05971	3.2
175.07556	1.0
177.05406	0.3
181.04951	18.2
182.05284	0.3
191.07016	6.3
203.07019	1.6
205.06741	0.4
205.08554	2.1
219.10132	0.2
233.08080	1.1
235.09569	1.9
246.67651	0.2
265.08707	0.3
267.10385	0.3
291.37195	0.2
295.09644	0.3
307.09601	0.3
309.11197	0.3
325.10684	0.3
337.10431	0.4
339.12274	0.4
341.13718	0.3
342.11530	0.2
351.12335	0.4
355.11734	0.3
357.13327	11.4
358.13708	0.4
369.13382	0.6
376.05890	0.2
387.14368	35.4
388.14749	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1624
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.5
57.03433	0.5
69.03419	1.3
70.06592	1.8
71.06939	0.5
71.62083	0.4
72.08155	0.4
79.05498	0.4
81.03433	0.5
81.07055	0.5
81.90693	0.3
82.21976	0.4
85.02908	2.1
91.05494	1.2
93.07027	0.9
95.04962	0.9
95.08642	0.4
97.02908	1.2
98.97583	0.4
99.04465	1.0
103.05478	0.3
105.07053	0.8
107.04974	0.5
107.08604	0.8
109.06519	0.7
109.10154	0.5
121.06499	0.4
121.10156	0.6
123.04478	0.5
127.03936	0.8
129.07010	0.5
131.05026	0.4
131.08577	0.5
133.10155	0.8
137.05981	0.8
137.08458	0.3
137.09627	0.6
145.05060	0.5
145.06458	0.3
147.04446	0.6
147.11731	0.4
149.05986	0.4
149.09686	1.0
151.07498	0.5
153.05444	0.6
160.16290	0.4
161.13177	0.6
163.03946	0.4
163.11127	0.6
165.12778	0.5
167.03377	1.1
167.07033	4.2
171.11687	0.4
177.05516	1.2
178.05835	0.8
189.12738	0.7
192.10162	0.4
193.08530	0.3
203.05286	2.8
207.06477	0.6
207.13817	3.0
211.09506	0.3
225.07201	0.5
225.10936	0.7
225.14888	1.7
235.07825	0.4
273.09448	2.1
301.08923	11.2
301.12137	0.7
312.12564	0.4
313.13248	0.7
314.13730	0.5
316.09747	0.5
317.12140	4.3
328.15518	1.4
337.10748	0.4
369.15341	10.0
387.16306	100.0
388.16537	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	387.1436
Annotation	(-)-(3S,4R,6S)-3-(3',4'-Methylenedioxy-alpha-hydroxybenzyl)-4-(3'',4''-dimethoxybenzyl)butyrolactone
Peak:m/z	Relative Intensity
53.03944	0.3
55.01864	0.8
58.72509	0.2
65.03944	1.4
66.04686	0.4
67.05478	0.4
69.03423	0.3
70.65958	0.5
70.66350	0.5
78.04708	0.2
79.05479	1.1
81.03405	0.5
81.07060	0.9
82.04222	0.4
85.02906	0.9
90.72021	0.2
91.05473	1.0
94.04182	2.7
95.04971	0.7
97.06548	0.4
98.20869	0.4
103.05479	2.4
105.07058	0.3
107.04937	1.1
108.02090	0.5
110.03673	0.5
111.04417	0.5
115.05435	1.5
115.53236	0.2
117.07001	1.7
118.04159	0.5
119.04929	0.2
121.06481	0.3
122.03643	7.2
122.56162	0.3
123.04449	0.6
124.05228	0.6
125.05990	0.4
131.04907	1.8
133.02843	0.5
133.06520	0.7
135.04396	0.4
137.05969	100.0
138.06303	1.2
139.03905	0.4
141.05515	0.4
142.02570	0.3
143.04903	2.8
145.06468	3.0
147.08099	0.3
148.05156	1.4
151.03897	7.4
151.04964	0.6
153.05501	0.3
155.06042	0.5
161.05974	0.5
163.03960	0.5
163.07483	2.0
167.07034	10.2
171.06532	1.0
173.05975	3.5
175.07549	1.0
177.05501	0.3
181.04945	15.9
187.07576	0.3
189.05411	0.4
191.07008	7.4
203.07021	1.9
205.08540	2.0
207.10165	0.3
209.08223	0.3
233.08073	0.9
235.09625	1.7
249.09106	0.3
277.08591	0.4
305.08243	0.3
307.09644	0.3
325.10596	0.4
327.12009	0.3
337.10724	0.9
351.12424	0.5
355.11868	0.6
357.08817	0.5
357.13309	10.9
358.13556	0.5
369.13049	0.4
383.00748	0.3
387.14362	32.7
388.14786	1.1
410.00394	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1435
Annotation	Magnolone
Peak:m/z	Relative Intensity
52.03189	0.3
55.01855	0.5
56.44927	0.3
58.17253	0.3
64.00732	0.3
65.03928	1.5
66.04717	0.5
79.05488	0.7
81.03416	0.5
85.02892	0.8
91.05476	1.5
94.04176	2.0
95.04962	0.7
97.06509	0.4
98.20708	0.8
103.05458	2.4
107.04945	0.8
108.02089	0.4
110.03652	0.6
111.04429	0.5
115.05457	1.7
117.07023	2.3
122.03645	8.1
123.04482	0.4
131.04893	2.0
133.06465	0.4
137.05968	100.0
138.06302	1.2
141.05461	0.4
142.02580	0.3
143.04921	3.3
145.06445	2.3
148.05183	1.3
151.03902	7.0
151.05045	0.4
153.05428	0.4
155.06023	0.6
163.07532	2.3
167.07037	9.0
171.04353	0.5
171.06541	1.4
173.05951	3.2
175.07501	0.6
176.04802	0.5
181.04942	17.5
191.06995	7.4
195.06517	0.3
203.07066	1.4
205.08586	2.0
223.70282	0.3
224.92204	0.4
229.26424	0.4
233.08089	0.8
235.07591	0.4
235.09564	2.0
249.09180	0.4
263.09155	0.5
291.21991	0.3
293.07977	0.4
307.12564	0.3
337.10562	0.4
351.12473	0.4
355.12106	0.4
357.13339	11.6
369.13293	0.4
387.14359	32.3
388.14737	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1435
Annotation	3,5,7,4'-Tetrahydroxy-3'-methoxy-8-prenylflavanone
Peak:m/z	Relative Intensity
53.03926	0.3
60.39663	0.3
65.03927	1.3
67.05505	0.6
68.93815	0.3
69.81274	1.4
69.81705	0.8
79.05481	1.1
81.07053	0.3
82.04181	0.4
85.02921	0.8
86.26954	0.3
91.05471	0.9
94.04189	2.3
95.04989	0.5
103.05444	2.1
105.07018	0.5
107.04950	1.1
108.02087	0.4
110.03654	0.5
111.04422	0.7
115.05459	1.2
117.07017	1.1
117.22813	0.3
118.04138	0.6
122.03637	7.3
123.04396	0.3
124.05246	0.3
125.05989	0.4
127.05305	0.4
131.04933	1.3
133.06487	0.8
133.52200	0.3
137.05969	100.0
138.06328	1.6
142.02650	0.5
143.04916	2.9
145.06490	2.4
147.04306	0.4
147.08046	0.3
148.05188	1.0
149.05867	0.5
151.03902	7.2
151.05084	0.5
153.05461	0.6
155.06090	0.3
161.06035	0.6
163.07573	1.7
167.07025	9.1
171.04393	0.4
171.06551	1.2
173.05994	2.8
175.07527	1.2
177.05446	0.6
181.04951	17.2
191.07019	7.8
195.06624	0.4
203.07091	1.4
205.08636	2.1
209.08049	0.5
233.08130	1.1
235.09671	2.9
277.08591	0.3
351.12082	0.4
357.08884	0.6
357.13321	14.2
387.14371	42.4
388.14493	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1413
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96547	1.4
67.36558	0.5
67.86124	0.5
69.03405	1.4
70.06122	0.9
70.06531	2.8
77.54484	0.5
81.77685	0.5
85.02917	0.6
86.09722	0.6
86.95272	0.4
89.98370	0.4
91.05482	0.8
95.04954	0.6
96.05299	0.5
98.20882	0.8
98.97582	11.2
105.07024	1.4
107.08598	0.9
116.98607	6.7
119.08619	1.2
121.10123	1.2
131.08530	1.0
134.99632	2.2
137.05963	2.2
137.09625	0.7
149.09610	3.3
151.05269	0.5
152.87920	0.5
156.09390	0.8
158.99596	1.5
161.13181	0.8
162.45439	0.5
165.09137	0.5
167.07063	0.7
175.02733	0.5
177.00665	2.0
177.07809	0.9
178.08586	0.6
189.12747	1.5
190.08728	0.6
192.10182	4.4
207.06937	1.4
207.13795	1.4
207.57190	0.5
209.04909	1.0
219.02682	1.8
225.07912	4.2
225.14801	0.9
227.05884	1.7
240.11662	0.5
243.08977	1.0
249.07971	1.6
267.08997	12.6
285.09995	3.1
357.54755	0.5
369.18146	1.2
387.14114	100.0
388.14569	3.1
405.14343	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1437
Annotation	Magnolone
Peak:m/z	Relative Intensity
51.02375	0.2
53.03910	0.2
55.01870	0.4
65.03936	0.9
66.04732	0.3
67.05515	0.4
67.06297	0.2
69.03419	0.3
71.05039	0.5
79.05486	1.0
81.03420	0.3
81.07062	0.4
85.02901	0.3
91.05469	1.3
94.04191	2.8
95.05020	0.3
97.06526	0.3
103.05463	0.6
105.07049	0.5
106.04182	0.2
107.04935	1.0
108.02104	0.2
109.06504	0.3
110.03675	0.5
111.04439	0.2
115.05460	1.7
117.07026	1.6
119.04939	0.3
122.03643	8.0
123.04451	0.3
125.06002	0.4
128.22417	0.2
131.04916	0.8
133.06483	0.5
134.73973	0.2
135.04375	0.3
137.05974	100.0
138.06326	1.3
142.02634	0.3
143.04927	3.3
145.06467	2.6
147.04416	0.4
147.08066	0.4
149.05969	0.4
151.03912	2.5
151.05058	0.2
153.05429	0.3
155.06036	0.6
160.05191	0.3
161.06000	0.8
162.03079	0.3
163.07611	0.3
167.07040	9.5
171.04347	0.3
171.06563	1.0
173.05974	3.2
175.07506	1.0
177.05469	0.9
181.04953	14.1
187.07571	0.3
189.05476	0.3
189.72171	0.2
191.07043	0.9
203.06990	1.7
205.08601	1.9
221.08078	0.4
233.08136	1.1
235.09650	1.9
303.79956	0.2
326.11319	0.3
351.12286	0.3
357.13324	11.6
358.13828	0.5
369.13248	0.3
387.14377	33.8
388.14618	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1287
Annotation	Unknow
Peak:m/z	Relative Intensity
56.23281	0.2
69.03386	0.6
71.29084	0.5
72.08115	0.3
78.04703	1.5
79.05483	1.3
81.03378	0.4
81.07018	0.5
85.02889	1.0
86.09705	0.2
91.05426	0.8
93.07027	0.5
95.01331	1.2
95.04967	1.3
97.02865	0.3
103.05417	0.4
105.07027	1.4
106.04182	1.0
107.04951	1.3
107.08545	0.3
115.05408	0.3
119.04960	0.2
121.06486	0.9
123.04425	3.8
123.08069	0.3
124.05198	1.8
125.86946	0.2
127.03919	0.3
131.08580	0.2
133.06450	0.9
134.03584	0.3
137.05914	0.8
141.01881	0.5
145.10181	0.3
149.05960	1.5
151.03874	0.8
151.07498	0.4
152.04631	1.3
155.07133	0.2
161.05984	1.1
163.11162	0.8
167.07024	100.0
168.07350	2.0
179.07050	0.4
181.08562	1.1
189.12711	0.6
192.93652	0.3
193.08591	4.1
194.08885	0.3
203.05234	0.4
207.09926	0.6
207.13817	1.1
211.09642	4.9
225.11069	0.7
225.14929	0.5
257.14935	0.2
308.41248	0.2
323.11279	0.3
369.15106	0.3
387.16336	34.8
388.16562	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1285
Annotation	4-O-beta-D-Glucosyl-sinapate
Peak:m/z	Relative Intensity
57.03403	0.2
61.30125	0.2
67.40231	0.2
69.03413	0.3
71.05350	0.5
78.04707	1.1
79.05464	0.7
81.03391	0.4
81.07028	0.3
85.02902	1.2
86.09695	0.3
91.05448	0.6
93.07021	0.7
95.01333	1.3
95.04929	0.9
97.02867	0.3
98.20806	0.2
99.04459	0.3
103.05466	0.5
105.07022	1.4
106.04142	1.1
107.04932	1.1
107.08598	0.2
109.02815	0.2
111.00796	0.2
112.64787	0.2
115.05417	0.3
119.04897	0.2
119.08598	0.2
121.06465	0.9
121.10124	0.4
122.03603	0.2
123.04430	3.1
124.05201	1.5
127.03905	0.2
131.04868	0.2
133.06506	1.1
134.03725	0.2
135.04376	0.2
137.06007	0.4
141.01814	0.5
145.10152	0.3
147.04428	0.3
147.11673	0.3
149.05978	1.5
149.09528	0.3
151.03897	0.6
151.07512	0.4
152.04657	1.1
153.09041	0.2
155.06960	0.2
161.06015	1.0
161.07097	0.2
162.20638	0.2
163.09631	0.2
163.11148	0.7
166.06255	0.4
167.07031	100.0
168.07411	1.4
169.09573	0.2
169.35654	0.2
177.03986	0.3
179.07083	0.4
181.08612	1.6
181.12218	0.3
189.12759	0.4
193.08578	4.1
203.05254	0.5
207.09966	0.4
207.13831	1.1
211.09659	4.8
220.75356	0.2
225.11002	0.7
225.14836	0.5
323.11462	0.3
369.19208	0.2
387.16336	35.7
388.16824	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.1595
Annotation	Papaverrubine B
Peak:m/z	Relative Intensity
53.03944	0.4
54.03472	0.7
55.04247	0.3
58.06583	0.6
68.99804	1.1
69.49149	3.1
70.06588	100.0
71.06924	1.3
73.69518	0.4
75.24463	0.3
76.85023	0.3
79.05499	0.6
81.07046	0.8
91.05465	1.2
93.07048	0.8
95.04960	0.5
103.05473	0.8
103.20535	0.4
105.07093	0.3
107.04960	1.0
119.04946	1.5
121.06512	2.8
123.04421	11.8
126.24255	0.4
131.04868	0.5
131.60399	0.4
135.04393	2.1
137.06010	0.6
147.04410	7.7
147.05525	0.7
149.05972	6.1
161.06023	0.7
165.05482	3.9
167.06992	0.9
175.07547	0.5
177.05458	57.7
178.05846	1.8
183.46489	0.4
207.06555	1.1
234.11215	3.7
311.08911	0.4
329.10168	10.1
330.10583	0.8
386.15952	54.1
387.16394	7.7
408.16449	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2371
Annotation	Mutisicoumaranone D
Peak:m/z	Relative Intensity
53.03939	2.8
53.59960	2.1
55.05493	8.4
56.96563	26.0
57.90841	2.2
59.04992	3.5
66.93833	2.3
67.05482	8.5
69.07072	11.5
69.29837	16.2
69.30264	9.0
71.04980	22.1
79.05478	12.4
81.07047	34.1
81.60363	2.6
83.08598	2.8
89.79659	2.3
91.05476	22.0
93.07038	38.0
95.04958	5.1
95.08601	28.8
97.06512	5.6
98.97567	6.2
103.05481	12.9
105.07018	22.4
107.04951	37.3
107.08588	35.6
109.06470	3.5
109.10146	34.4
111.08085	3.0
116.98624	5.7
117.06981	3.3
119.04929	15.7
119.08586	36.8
121.06501	7.9
121.10152	14.2
123.04465	2.8
123.11711	15.7
125.09619	2.5
127.11149	8.6
129.07031	2.6
131.04921	26.2
131.08517	4.1
132.05736	2.6
133.06474	26.1
133.10136	9.7
134.99669	5.1
135.08029	6.6
135.11676	35.7
137.13232	4.4
142.07790	3.3
143.00124	5.1
145.06473	9.0
145.10117	2.9
147.03215	5.5
147.04393	100.0
147.11673	6.8
148.04750	8.5
149.05975	12.4
149.13196	2.5
151.03873	2.9
151.11180	3.1
153.12732	19.0
154.13147	2.9
157.06505	18.2
158.99786	2.4
159.04402	50.1
159.08005	5.3
159.11676	2.8
160.04854	3.4
161.01242	13.5
161.05998	8.0
165.12801	3.3
170.07237	4.5
171.08049	10.9
171.11673	3.1
173.05998	8.9
173.09644	4.5
175.07538	5.5
177.05469	74.2
177.16342	4.7
178.05769	2.9
179.02161	2.5
179.60049	2.3
181.06454	7.1
183.08018	6.4
184.08861	4.4
185.05966	9.1
185.09596	10.4
187.07457	4.9
189.16360	2.9
191.17867	8.2
194.07300	2.7
195.07962	2.7
197.09628	9.4
199.07529	10.2
199.11166	15.6
201.09045	4.8
203.02313	3.8
203.07047	3.4
203.17940	3.2
207.08087	3.4
209.09634	13.3
209.19080	4.3
211.07552	3.4
213.04242	2.6
213.09062	5.0
215.10634	5.7
217.08606	2.8
221.03352	4.4
221.09540	3.5
223.11153	3.3
227.10710	17.5
233.09601	4.3
237.12830	3.7
239.02182	5.3
239.10713	2.7
251.05872	3.4
251.09421	10.5
251.14276	4.7
251.59477	3.0
253.15891	7.0
257.03406	11.2
260.09760	11.7
263.14359	20.6
271.60663	7.5
279.17606	2.2
281.15369	19.7
297.18558	3.8
309.12436	5.0
318.12872	9.5
318.63229	3.6
331.20551	7.7
339.23175	3.0
349.21533	25.6
355.14163	2.9
367.18381	4.1
367.22675	59.1
368.22833	3.1
385.16586	3.5
385.23590	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	385.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21249	1.6
52.86161	1.5
53.03959	2.3
55.01867	3.8
55.05507	6.5
56.96556	3.3
57.03445	8.7
59.04989	2.3
61.02919	4.1
67.05495	5.2
69.03432	12.1
69.07062	10.4
70.06568	3.0
71.04990	18.7
71.58062	3.5
73.02920	12.6
79.05497	12.6
79.80281	1.4
81.03413	4.5
81.07056	65.6
83.01362	1.8
83.04976	10.0
84.04477	1.7
85.02901	35.2
85.06552	2.4
85.07654	3.7
87.05585	11.0
91.05473	8.2
93.07040	4.8
93.42401	1.6
95.04974	7.5
95.08619	2.8
97.02882	13.7
97.06532	6.9
98.97597	5.8
99.04508	2.8
99.08109	4.2
100.48119	1.9
103.05448	3.1
105.07027	29.0
107.04958	27.6
107.08579	14.6
108.05298	2.0
109.02843	3.8
109.06490	4.7
109.10166	20.1
111.04445	1.7
111.08121	3.5
111.11729	6.0
113.02380	1.6
113.05978	2.9
115.03956	2.4
115.05470	5.6
116.98617	5.8
117.07027	2.2
118.04160	2.4
119.04916	1.8
121.06514	5.6
121.10117	2.7
123.04404	10.6
123.11715	26.5
127.03944	7.0
127.11178	2.9
128.98616	2.4
129.06917	1.9
131.04945	1.9
133.06485	29.4
133.07422	2.2
133.10147	2.1
134.02737	4.2
134.99670	3.0
136.06215	4.6
139.11171	18.3
141.07039	1.9
143.06065	2.3
145.05061	2.5
145.06516	2.8
146.99622	3.9
147.08038	2.1
151.11186	32.9
155.07013	2.2
157.03500	1.7
157.12236	17.2
161.01263	2.9
161.02965	3.4
161.05980	53.4
162.06349	3.2
163.03925	5.0
165.05525	2.4
167.07039	15.8
169.12248	56.0
170.99615	2.1
173.05991	3.5
175.03854	2.2
175.07495	2.5
177.00757	4.0
179.07129	2.0
183.06609	2.0
187.13286	100.0
188.13626	2.1
189.05446	2.3
191.06943	2.3
193.08592	37.5
194.08992	2.8
201.05522	2.3
203.06935	2.2
205.08607	5.1
207.06593	4.9
212.08110	5.8
219.01817	5.0
219.06676	3.2
222.12129	1.7
223.15392	8.0
229.05081	2.7
231.06522	2.9
233.04483	2.2
233.08159	3.4
235.05504	2.9
235.55789	1.9
237.02744	8.7
245.05046	2.0
245.07834	1.7
251.09161	13.4
259.06216	2.0
261.07608	4.8
263.09143	2.0
275.09076	3.2
277.06876	2.1
279.08664	2.9
289.07034	2.3
307.08252	4.1
319.08273	2.0
321.08383	2.9
325.05661	1.9
337.05957	2.5
385.14755	61.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1857
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88251	1.7
52.12297	1.7
55.01878	2.0
58.06603	5.6
61.02937	2.2
63.21936	1.6
67.05507	4.0
69.03422	9.7
70.06592	41.6
70.77027	6.7
71.04969	3.7
79.05479	3.9
81.03406	2.0
81.07064	3.4
83.24879	1.7
83.70245	1.6
85.02891	10.9
86.09695	2.9
91.05486	7.3
93.07030	6.6
95.04936	5.1
95.08613	3.3
97.02891	6.5
99.04445	3.1
105.07031	4.8
107.04949	2.7
107.08604	7.4
117.06999	2.5
119.04944	2.5
119.08581	8.2
121.06493	5.1
121.10142	5.3
123.04385	4.0
123.08105	3.5
127.03935	2.8
131.08582	3.5
133.06485	2.3
133.10136	4.4
135.08054	12.6
135.11685	5.5
136.08882	3.4
137.05927	3.6
137.09642	4.8
142.07735	1.9
144.09335	2.6
145.06528	2.0
145.10138	6.9
147.04393	5.3
147.08034	3.7
149.05983	4.5
149.09602	15.6
150.06773	3.9
151.07588	2.2
159.11676	12.5
161.06023	3.7
161.09581	4.3
163.07497	2.6
163.11209	23.1
165.05492	2.6
165.09161	11.7
167.07007	9.1
169.09819	3.3
174.07742	1.9
175.07614	3.9
175.11235	6.4
177.05478	13.1
177.12764	23.1
187.11201	6.0
190.09914	5.5
201.05659	2.0
203.06900	2.1
203.10658	3.4
205.12222	37.7
217.05061	2.2
219.06502	2.0
223.05986	2.1
223.13292	100.0
224.13541	3.6
231.06610	2.4
232.99446	3.7
275.09326	1.8
287.05713	1.8
323.11536	2.0
329.10251	3.1
385.12442	48.6
385.17801	6.2
386.11722	2.6
386.16022	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	385.1855
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.2
54.31508	1.8
55.01857	6.0
55.05484	3.5
57.03424	7.9
61.02929	10.8
67.05496	5.1
67.32857	2.1
69.03120	2.2
69.03427	23.7
69.07045	2.2
70.62585	6.8
71.04978	7.5
73.02902	5.0
79.05483	6.1
81.03410	12.7
81.07039	4.9
82.11884	2.1
83.04988	9.6
83.33248	2.1
85.02901	65.3
91.03923	4.7
91.05457	6.4
93.07034	15.7
95.04967	4.6
95.08615	9.9
97.02890	17.8
97.06523	4.6
98.21500	2.8
99.04478	5.0
105.07034	16.8
107.04951	6.0
107.08590	17.7
109.02872	6.9
109.06488	7.2
109.10158	3.6
111.04461	2.0
117.07005	8.8
119.04922	2.0
119.08582	28.3
121.06522	10.4
121.10133	16.9
123.08064	20.4
125.06059	3.0
125.09602	3.2
127.03919	13.8
131.08582	5.9
133.06487	4.0
133.10147	10.0
135.08044	39.8
135.11696	9.5
137.09613	13.1
139.07549	2.6
143.08551	3.8
144.09311	4.2
145.04941	11.7
145.06468	3.8
145.10121	26.0
146.07310	2.1
147.08052	20.1
147.11719	5.6
149.06004	6.9
149.09666	11.4
149.13249	4.8
157.10149	3.3
159.11694	22.2
160.08800	5.3
161.09570	7.1
161.13226	4.0
162.10342	3.8
163.11177	53.9
165.09122	51.3
166.09422	3.2
167.07034	7.8
168.02678	1.9
172.08807	5.0
175.11185	67.8
176.11449	3.1
177.12753	53.4
181.12224	4.1
187.11130	23.7
189.12738	5.5
193.12241	3.7
205.12239	100.0
206.12512	5.9
207.13788	9.7
223.13307	79.3
224.13637	5.7
236.89668	2.0
246.14850	2.2
301.98062	2.1
385.14005	2.6
385.18457	17.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1855
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95090	2.6
51.56828	2.2
52.02260	2.3
53.03951	5.8
53.14956	2.2
55.01864	5.0
55.05509	5.1
57.03426	7.8
61.02921	14.4
65.03944	2.4
67.05502	8.9
68.82426	2.8
69.03428	38.6
69.07061	3.4
71.04978	11.3
71.62613	3.6
73.02919	6.1
79.05489	10.2
81.03405	17.3
81.07045	7.6
83.04987	13.9
83.08610	3.4
85.02899	89.9
87.04443	5.0
91.03939	3.0
91.05473	16.6
93.07025	21.5
95.04945	9.9
95.08611	15.5
97.02892	30.3
97.06536	9.1
99.04456	5.5
100.11248	4.0
103.05460	3.2
105.07025	22.5
107.04952	6.4
107.08581	28.0
109.02879	8.7
109.06519	7.6
111.04468	4.9
113.06081	2.5
115.05453	4.9
116.98712	2.2
117.07007	11.0
119.04969	3.4
119.08585	37.8
121.06528	21.4
121.10137	22.0
123.04330	2.8
123.08075	18.0
127.03915	10.4
127.07539	2.6
127.10964	2.4
127.29173	2.5
129.07001	4.6
130.07774	3.5
131.08607	17.6
133.06502	6.8
133.10117	13.8
135.08052	55.0
135.11668	10.6
135.54079	2.4
137.05981	8.4
137.09631	18.8
139.07469	5.2
143.08609	3.1
144.09322	5.3
145.04936	13.6
145.06541	4.3
145.10107	30.0
147.04405	2.8
147.08037	27.7
147.11714	3.9
149.05981	5.8
149.09613	23.5
151.03931	3.0
153.09114	2.9
157.08591	2.8
157.10049	3.1
159.08041	7.4
159.11668	34.7
160.08829	8.6
161.05984	6.7
161.09619	11.8
161.13258	3.6
162.10370	3.6
163.03909	2.5
163.07556	7.6
163.11180	57.3
165.09105	74.8
166.09410	3.0
167.07005	11.6
172.08813	7.5
175.07619	4.4
175.11185	84.4
177.09160	11.0
177.12738	65.5
181.08681	4.4
181.12196	8.3
187.11165	23.8
189.12703	5.6
191.06915	2.5
193.08643	3.3
193.12242	4.8
195.13751	3.7
201.05478	3.4
205.12224	100.0
206.12518	3.5
207.13783	10.4
223.13301	87.4
231.71736	2.5
341.14590	2.5
359.16290	2.5
385.08591	4.2
385.12601	5.6
385.16870	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	385.1284
Annotation	4'-Demethyldeoxypodophyllotoxin
Peak:m/z	Relative Intensity
53.03942	0.6
55.01870	1.5
55.65189	0.4
57.03436	0.7
65.03945	1.0
67.05492	0.9
69.03450	2.5
69.03755	0.4
69.07046	0.7
69.59924	1.2
69.60336	1.9
71.04969	0.4
73.34615	0.3
74.01107	0.3
79.05490	2.1
81.03420	1.4
81.07059	31.3
85.02909	1.9
87.00837	0.8
91.05475	1.5
93.07057	2.0
95.04946	0.8
95.08616	2.8
97.02898	1.3
97.06550	0.8
99.04452	0.4
103.05499	0.5
105.07058	0.9
107.04996	0.5
107.08601	0.8
109.02886	1.2
110.03658	0.6
111.04435	2.1
115.05437	0.7
117.07006	0.6
119.04935	0.5
119.08557	0.8
121.02885	0.9
121.06548	0.4
121.10212	0.5
125.06018	1.3
125.74366	0.4
127.03954	0.7
129.06989	0.4
131.04932	0.7
131.08649	0.6
133.10098	0.6
135.11665	0.6
137.05974	0.7
137.13254	13.6
142.07864	0.5
145.06487	1.0
146.07271	0.6
147.04404	1.1
147.08026	0.7
147.11674	0.5
149.02342	0.4
149.13330	0.8
151.03949	1.1
152.06183	0.6
153.05484	2.6
153.06889	1.0
155.08510	0.4
158.07443	0.5
159.08055	0.7
161.05974	0.6
161.13350	0.5
163.03914	0.6
165.05750	0.4
165.06975	2.3
166.07747	0.7
167.08528	1.2
171.08096	0.7
173.06007	0.5
175.07635	0.6
177.07195	0.6
177.09077	0.4
178.07774	2.6
179.03461	0.5
179.08557	2.2
181.04958	0.7
181.06500	1.7
182.07356	0.5
183.08037	1.2
185.05984	0.7
189.07034	1.6
190.07790	1.8
191.08510	2.1
193.04924	0.6
193.06548	1.1
194.07211	1.9
195.08014	2.4
195.13811	0.5
196.08806	0.7
197.06021	0.6
197.09528	0.5
198.06779	0.5
198.91145	0.5
199.07588	0.5
202.07796	0.9
203.08652	1.3
205.06519	1.6
206.07300	1.5
207.08037	3.1
208.05142	0.7
208.08846	1.0
208.50023	0.5
209.05988	0.7
209.09637	1.2
210.06749	0.9
211.07600	2.2
213.05562	0.5
218.07394	1.9
219.08119	4.1
220.08817	1.8
221.06017	3.3
221.09665	1.5
222.06706	2.3
223.07495	2.7
223.11212	0.5
224.08305	1.5
225.09146	1.6
226.09937	0.6
231.05058	0.7
231.08086	1.3
232.08846	0.7
233.05972	1.3
233.09604	1.0
234.06778	1.5
235.07532	6.3
236.08298	2.4
237.05450	0.9
237.09106	2.7
238.06258	1.3
238.09860	0.5
239.07025	2.0
239.10786	0.7
240.07651	0.7
241.08653	0.8
245.15318	1.1
246.06854	0.6
247.07576	2.8
248.08234	2.1
249.05554	1.6
249.09064	3.7
250.06276	1.4
250.09868	1.0
251.07007	4.2
251.10640	1.2
252.07875	2.0
253.08543	3.0
254.09344	1.2
255.06557	1.0
255.10214	1.3
256.07242	0.8
259.07556	1.0
260.08380	0.7
261.09100	1.8
262.06387	0.6
263.07074	3.3
263.10620	0.8
264.07791	3.6
265.08612	4.9
266.09399	1.0
267.06537	1.1
267.10226	3.5
268.07288	0.7
269.08246	1.0
269.11752	0.7
271.09671	0.7
274.06223	0.4
275.06952	1.3
276.07907	1.4
277.08572	2.5
278.09335	1.9
279.06836	0.7
279.10156	4.8
280.07288	1.5
280.10452	0.7
281.08154	2.9
282.08841	1.5
283.09698	1.2
289.08444	0.5
291.06702	0.8
292.07303	1.3
293.08121	2.1
293.11392	0.6
294.08850	1.5
295.09558	3.1
296.10306	0.8
297.07993	0.6
297.11172	1.8
299.09244	0.5
305.07877	0.5
306.08994	0.5
307.09668	19.3
308.10248	1.4
309.07901	0.6
309.11255	3.0
310.08188	0.5
311.09155	1.0
313.10712	1.1
321.11160	0.7
323.09061	4.1
324.09839	1.0
325.10672	4.3
329.13797	0.6
337.10706	1.2
339.12357	2.6
353.10211	0.5
355.11716	1.6
357.13257	1.0
367.11813	1.2
385.12820	100.0
386.13132	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	385.1255
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	1.2
55.01840	0.9
55.98613	0.7
56.04977	0.8
56.96534	2.8
57.03416	0.7
67.05468	0.8
68.89070	0.7
69.03381	3.3
69.03713	0.8
69.56630	4.9
69.57063	1.8
70.06551	2.9
71.04955	1.8
71.30710	0.7
72.08099	1.1
75.29933	0.7
81.03373	2.2
81.07035	1.5
84.78457	0.7
85.02917	6.8
91.05434	2.7
93.07036	0.7
95.04939	1.0
95.08549	0.8
97.02852	3.6
98.20801	1.6
98.97533	3.5
103.05434	1.1
105.06977	1.9
107.04888	1.3
107.08566	1.3
109.02829	1.5
109.06492	1.5
116.98560	2.1
117.06983	1.0
119.08531	1.4
121.06423	2.4
121.10064	1.2
125.09523	1.0
127.03841	2.8
131.04869	1.1
131.08493	1.9
133.06410	1.3
133.10085	0.7
134.99557	1.6
137.05949	1.6
145.04898	1.5
147.04359	1.8
147.07979	0.9
149.09615	6.6
161.05893	1.6
161.09404	0.7
163.03806	1.0
165.05385	0.9
167.07042	3.6
168.37675	0.9
177.05397	1.2
183.03242	1.9
183.98962	0.8
193.08530	1.8
201.04132	1.5
202.06699	1.3
203.05269	1.0
205.12085	1.4
219.04585	0.9
220.19855	0.8
223.06136	1.2
223.09360	1.6
223.13319	1.4
225.04164	2.5
231.06284	1.4
234.98903	0.8
237.02660	1.5
241.07310	3.0
265.07501	4.5
283.08438	5.7
290.01779	0.8
290.80771	0.9
385.12320	100.0
386.12759	4.7
401.40433	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1284
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.6
55.01870	1.5
55.65189	0.4
57.03436	0.7
65.03945	1.0
67.05492	0.9
69.03450	2.5
69.03755	0.4
69.07046	0.7
69.59924	1.2
69.60336	1.9
71.04969	0.4
73.34615	0.3
74.01107	0.3
79.05490	2.1
81.03420	1.4
81.07059	31.3
85.02909	1.9
87.00837	0.8
91.05475	1.5
93.07057	2.0
95.04946	0.8
95.08616	2.8
97.02898	1.3
97.06550	0.8
99.04452	0.4
103.05499	0.5
105.07058	0.9
107.04996	0.5
107.08601	0.8
109.02886	1.2
110.03658	0.6
111.04435	2.1
115.05437	0.7
117.07006	0.6
119.04935	0.5
119.08557	0.8
121.02885	0.9
121.06548	0.4
121.10212	0.5
125.06018	1.3
125.74366	0.4
127.03954	0.7
129.06989	0.4
131.04932	0.7
131.08649	0.6
133.10098	0.6
135.11665	0.6
137.05974	0.7
137.13254	13.6
142.07864	0.5
145.06487	1.0
146.07271	0.6
147.04404	1.1
147.08026	0.7
147.11674	0.5
149.02342	0.4
149.13330	0.8
151.03949	1.1
152.06183	0.6
153.05484	2.6
153.06889	1.0
155.08510	0.4
158.07443	0.5
159.08055	0.7
161.05974	0.6
161.13350	0.5
163.03914	0.6
165.05750	0.4
165.06975	2.3
166.07747	0.7
167.08528	1.2
171.08096	0.7
173.06007	0.5
175.07635	0.6
177.07195	0.6
177.09077	0.4
178.07774	2.6
179.03461	0.5
179.08557	2.2
181.04958	0.7
181.06500	1.7
182.07356	0.5
183.08037	1.2
185.05984	0.7
189.07034	1.6
190.07790	1.8
191.08510	2.1
193.04924	0.6
193.06548	1.1
194.07211	1.9
195.08014	2.4
195.13811	0.5
196.08806	0.7
197.06021	0.6
197.09528	0.5
198.06779	0.5
198.91145	0.5
199.07588	0.5
202.07796	0.9
203.08652	1.3
205.06519	1.6
206.07300	1.5
207.08037	3.1
208.05142	0.7
208.08846	1.0
208.50023	0.5
209.05988	0.7
209.09637	1.2
210.06749	0.9
211.07600	2.2
213.05562	0.5
218.07394	1.9
219.08119	4.1
220.08817	1.8
221.06017	3.3
221.09665	1.5
222.06706	2.3
223.07495	2.7
223.11212	0.5
224.08305	1.5
225.09146	1.6
226.09937	0.6
231.05058	0.7
231.08086	1.3
232.08846	0.7
233.05972	1.3
233.09604	1.0
234.06778	1.5
235.07532	6.3
236.08298	2.4
237.05450	0.9
237.09106	2.7
238.06258	1.3
238.09860	0.5
239.07025	2.0
239.10786	0.7
240.07651	0.7
241.08653	0.8
245.15318	1.1
246.06854	0.6
247.07576	2.8
248.08234	2.1
249.05554	1.6
249.09064	3.7
250.06276	1.4
250.09868	1.0
251.07007	4.2
251.10640	1.2
252.07875	2.0
253.08543	3.0
254.09344	1.2
255.06557	1.0
255.10214	1.3
256.07242	0.8
259.07556	1.0
260.08380	0.7
261.09100	1.8
262.06387	0.6
263.07074	3.3
263.10620	0.8
264.07791	3.6
265.08612	4.9
266.09399	1.0
267.06537	1.1
267.10226	3.5
268.07288	0.7
269.08246	1.0
269.11752	0.7
271.09671	0.7
274.06223	0.4
275.06952	1.3
276.07907	1.4
277.08572	2.5
278.09335	1.9
279.06836	0.7
279.10156	4.8
280.07288	1.5
280.10452	0.7
281.08154	2.9
282.08841	1.5
283.09698	1.2
289.08444	0.5
291.06702	0.8
292.07303	1.3
293.08121	2.1
293.11392	0.6
294.08850	1.5
295.09558	3.1
296.10306	0.8
297.07993	0.6
297.11172	1.8
299.09244	0.5
305.07877	0.5
306.08994	0.5
307.09668	19.3
308.10248	1.4
309.07901	0.6
309.11255	3.0
310.08188	0.5
311.09155	1.0
313.10712	1.1
321.11160	0.7
323.09061	4.1
324.09839	1.0
325.10672	4.3
329.13797	0.6
337.10706	1.2
339.12357	2.6
353.10211	0.5
355.11716	1.6
357.13257	1.0
367.11813	1.2
385.12820	100.0
386.13132	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	385.1128
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.7
55.01865	3.4
56.96559	3.2
57.03427	4.3
61.02922	5.0
62.12402	1.0
65.03957	1.2
67.05507	2.0
69.03419	7.4
69.07081	2.1
69.75468	6.7
69.75879	1.9
70.06598	1.6
71.04991	4.9
73.02911	9.1
79.05470	5.3
81.03436	3.0
81.07053	9.9
81.07441	1.0
83.01349	1.4
83.04970	1.0
85.02901	17.6
85.07634	1.1
87.00842	1.6
87.04472	1.7
87.05588	9.5
89.03913	1.2
91.05457	6.1
91.79548	1.0
92.19376	1.0
93.07064	2.1
95.01339	1.7
95.04976	4.5
97.02882	13.0
98.97589	3.4
99.04417	1.7
101.02399	1.3
103.05441	6.8
105.07024	57.9
106.07394	1.2
107.04944	6.8
107.08643	3.4
108.67740	1.0
109.02891	1.9
109.06535	1.3
109.10144	2.5
111.08228	1.0
115.03945	2.2
115.05435	11.2
116.98643	3.2
117.07050	4.4
118.04191	4.5
119.04949	2.6
120.26730	1.4
121.06546	3.0
123.04395	5.9
123.11730	4.6
124.05270	1.2
127.03919	5.5
129.07018	1.4
131.01920	2.4
131.04971	4.9
131.08626	1.4
132.05756	1.5
133.06483	51.6
134.06880	1.3
134.99702	1.9
136.06230	2.1
137.06030	3.3
139.11223	1.3
140.04681	1.5
143.04985	2.7
143.06076	3.2
145.05009	3.2
145.06441	8.7
146.99687	3.1
147.04404	2.2
147.08083	1.4
151.03923	1.5
151.11212	3.6
155.07085	5.0
157.06506	1.1
157.12283	1.8
160.05260	2.1
161.05968	100.0
162.06453	3.1
162.07784	1.9
163.03929	1.9
167.07033	25.2
169.06648	1.8
169.12250	5.7
173.03006	2.0
173.06050	2.5
175.04013	2.4
175.06100	2.9
175.07555	2.4
177.00798	1.8
178.06265	1.4
179.07022	2.0
181.05014	3.1
181.06508	1.2
183.06618	4.4
187.04199	1.5
187.13289	9.7
189.05562	2.8
190.06339	2.6
191.07062	2.6
193.08589	67.2
194.09010	2.6
201.05577	3.9
203.07187	1.6
205.08470	5.4
207.06462	8.8
207.10054	1.5
209.08247	1.2
211.07352	3.9
213.05518	1.7
215.06970	1.7
217.05031	1.5
218.05807	1.4
219.01765	2.5
219.06664	4.4
220.07500	2.1
221.05206	2.2
221.08202	3.2
223.09694	1.5
223.15552	1.2
225.09641	1.1
227.06728	1.9
229.05150	1.9
231.02628	1.3
231.06538	5.4
233.04448	5.6
233.08208	4.8
234.99046	2.1
235.06003	2.0
235.09587	1.6
235.55695	1.7
237.02893	4.2
242.07301	2.3
245.08125	3.8
247.06134	1.8
247.09778	1.7
249.07777	3.1
251.09143	24.4
252.07430	3.7
253.07628	6.4
260.06821	1.4
261.07617	13.9
261.09998	1.2
263.09247	3.8
273.07813	1.4
275.09155	5.6
277.07144	1.7
279.08643	2.9
287.09097	2.0
289.07098	2.3
293.10400	5.0
302.34021	1.2
303.08792	1.4
305.10294	2.4
307.08124	7.6
319.08215	1.3
321.08435	3.4
337.06021	2.1
349.09567	1.8
367.10233	3.2
385.14890	58.8
386.14453	1.5
409.37915	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.2896
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.4
55.05516	17.1
55.67520	2.1
57.07080	3.9
61.70275	2.1
65.03907	3.0
67.05168	3.3
67.05500	40.5
69.07063	18.8
69.81755	8.2
69.82167	5.7
74.61449	2.2
79.05131	2.3
79.05495	29.5
81.07055	47.8
83.08604	7.2
86.23570	2.5
87.30891	2.3
91.04908	2.2
91.05479	69.5
93.07037	81.8
93.07629	4.4
95.04951	10.0
95.08601	78.5
97.10152	8.0
103.05476	4.9
105.07025	96.6
107.04945	21.1
107.08593	55.2
109.06487	4.0
109.09517	2.2
109.10151	49.8
111.11700	2.8
117.03317	2.5
117.07019	5.0
119.08578	74.9
121.10136	43.5
122.06010	3.3
122.09602	3.1
123.08028	2.8
123.11693	10.2
131.08562	2.9
133.10130	54.2
135.11708	11.6
137.13310	2.4
145.10088	4.4
147.04407	4.0
147.11679	100.0
158.93646	2.2
161.13289	16.9
164.10695	3.6
175.14803	5.7
178.16714	2.4
182.11755	37.3
201.16461	2.3
203.17966	34.7
204.18231	2.4
231.06461	3.3
232.06676	2.7
366.21323	6.7
384.22702	5.2
384.28961	71.1
385.23645	5.6
385.29105	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	384.2743
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	11.5
53.68121	1.4
55.01866	1.8
55.05265	2.8
55.05510	38.9
55.05773	1.3
55.79047	1.7
56.05027	4.8
56.96563	1.7
57.03416	3.6
57.07058	2.2
65.03939	9.9
65.98816	1.4
67.05503	100.0
69.07069	12.2
70.06587	3.2
71.60200	2.2
73.70426	1.5
78.10036	1.7
78.69692	1.5
79.05061	3.3
79.05492	41.1
80.05004	5.4
80.05830	1.5
81.07055	88.6
82.06576	3.1
83.04960	2.7
83.08627	11.0
91.05468	4.9
93.07040	5.1
94.06539	5.0
95.08605	5.2
95.22556	1.5
97.10170	26.7
105.07006	6.1
106.06517	2.1
107.08588	13.1
108.08137	2.4
109.10142	4.6
123.11687	2.4
124.11212	3.1
125.09630	40.0
133.10071	3.4
138.12781	2.7
140.14334	72.4
141.14696	1.8
143.10699	9.7
147.04396	3.0
150.12747	6.6
170.11751	5.1
176.14346	2.1
178.15942	2.5
189.11194	8.5
199.13239	6.5
204.13849	3.5
236.16455	2.3
246.22241	2.1
274.21649	5.5
292.22723	63.1
292.25949	4.0
293.23328	2.0
347.27225	1.7
366.26373	65.1
367.26437	2.2
383.80457	6.9
384.27380	8.1
399.18008	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	384.2742
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90826	1.7
53.03938	3.9
55.05510	10.5
56.05027	8.1
57.03425	7.4
65.03932	4.5
67.05504	66.3
68.05041	1.8
69.07076	10.0
69.53497	11.6
69.53914	3.9
70.02932	2.4
71.04996	2.6
71.08620	7.4
71.65907	1.6
79.05064	2.6
79.05495	33.4
80.05020	4.4
81.07056	47.1
82.06539	2.9
83.04974	2.1
83.08624	6.9
91.05480	24.0
92.05010	3.9
93.05750	2.3
93.07044	49.6
94.06551	5.2
95.04975	11.1
95.08606	16.1
96.08111	3.6
97.06550	2.6
99.08098	7.7
105.07019	8.4
106.06545	6.5
107.04986	2.1
107.08586	17.7
108.08120	2.4
109.06506	2.7
109.10156	8.6
110.09683	3.3
112.07567	2.1
117.06989	10.4
119.08559	4.0
120.08115	5.5
121.10140	6.1
131.08553	11.9
133.10124	7.9
134.09650	3.4
135.11699	6.4
147.04369	4.6
149.13287	11.6
150.12773	5.3
159.11694	10.7
165.12779	2.2
175.11185	6.8
176.14348	7.6
177.12752	41.3
178.13028	2.0
194.15407	100.0
212.16458	28.2
222.14896	21.1
251.16521	1.9
268.19061	33.3
274.21832	2.9
278.17480	7.9
283.16910	2.5
292.22916	8.8
366.26276	9.6
371.93716	1.8
384.29065	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	384.2744
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17289	1.4
53.03943	5.3
55.01863	2.0
55.05510	20.2
56.05038	3.9
56.85165	1.8
56.96565	2.8
57.03412	1.9
57.07074	2.0
57.94060	1.5
65.03947	6.4
67.05504	100.0
69.07056	6.1
71.60538	2.4
78.77198	1.7
79.05487	28.5
80.05022	4.2
81.07057	77.5
83.08625	8.2
86.89439	1.6
91.05490	8.8
93.07042	10.6
93.30880	1.6
94.06582	3.3
94.21685	1.4
95.04995	2.5
95.08602	7.9
97.10166	11.4
99.54574	1.7
105.07035	5.8
106.06577	2.0
107.00946	1.5
107.08598	11.1
109.10164	5.0
117.06986	2.7
121.10139	1.8
123.11702	8.2
125.09620	14.7
133.10136	2.6
135.11752	1.8
137.13261	3.0
140.14336	40.3
143.10677	4.3
147.04422	8.1
150.12805	5.4
170.11769	4.5
177.12772	1.7
184.12247	1.8
189.11226	6.2
194.15523	2.3
204.13837	2.7
222.14967	2.0
229.75604	1.5
236.16492	1.8
243.35672	1.5
274.21637	4.2
278.17447	3.3
292.22705	39.2
366.26395	39.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2428
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96622	0.9
53.03978	0.9
55.01865	4.6
55.05509	5.2
56.96563	1.8
57.03430	3.6
66.10846	0.7
67.05504	9.0
69.07072	7.5
70.07390	1.1
71.47382	0.8
71.59786	1.0
79.05491	7.6
80.05812	1.0
81.06580	1.4
81.07054	27.5
83.04967	2.3
83.08605	2.8
85.06553	2.2
88.70998	0.7
91.05472	6.7
93.07039	10.1
95.04959	1.6
95.08604	7.8
97.06535	1.8
105.07049	4.3
106.06584	0.8
107.08587	8.7
109.06506	10.5
109.10162	7.1
111.04446	15.3
111.08083	1.7
117.07027	1.1
119.04968	1.6
119.08569	4.9
121.06523	0.9
121.10144	4.0
123.08086	2.3
123.11717	4.2
125.05971	7.2
131.08562	3.1
132.08852	1.2
133.10127	7.0
135.08063	2.2
135.11668	4.7
137.05971	100.0
137.13213	1.9
139.07553	1.0
143.08580	1.3
145.10080	1.2
147.04430	5.1
147.08057	0.9
147.11681	6.1
149.09641	4.7
149.13193	2.0
149.81467	0.7
151.07539	2.8
151.11221	2.5
157.10130	1.3
159.11707	1.9
159.26967	0.7
161.09616	6.8
161.13266	2.5
163.03947	2.9
163.11223	4.2
165.09152	2.0
165.12730	1.0
171.11723	0.9
175.11159	5.2
175.14853	0.9
177.12798	0.9
179.10645	1.7
185.13345	0.8
189.12738	1.2
193.12300	1.1
195.15822	0.9
203.17937	5.4
213.16451	3.0
221.18991	1.6
222.14949	3.7
223.15155	7.2
231.17392	9.1
237.00748	2.3
241.15950	2.1
249.18465	11.6
254.00980	1.1
255.01859	1.6
257.03467	1.1
277.17981	78.3
278.18143	1.2
279.17819	2.8
295.19043	25.0
351.13608	1.5
351.21707	7.5
383.24246	18.3
384.24463	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2579
Annotation	C25-Epoxy-apo-aldehyde
Peak:m/z	Relative Intensity
51.84642	4.3
53.03934	6.9
55.05492	9.4
56.40039	4.3
56.96546	23.8
57.07071	8.5
59.04972	5.7
67.05505	24.6
69.03421	12.4
69.04524	4.5
69.07047	9.9
70.98112	7.5
71.60538	8.0
79.05480	25.3
81.07059	43.9
91.05481	26.3
93.07047	70.9
95.04947	17.6
95.08594	43.5
97.06528	8.3
103.05466	5.4
105.07023	67.2
107.04911	5.4
107.08575	30.5
109.06485	13.1
109.10139	17.6
111.08075	5.9
117.06992	8.0
119.04929	6.4
119.08582	45.1
121.06555	7.4
121.10143	40.1
123.08051	21.1
129.06961	9.9
131.08575	25.8
133.06500	8.1
133.10167	29.5
135.08052	23.7
137.09599	14.8
141.06880	5.2
142.07742	12.8
143.08589	24.5
145.10124	31.3
147.04384	12.1
147.08006	17.5
147.11661	16.0
149.09599	18.5
151.07515	27.1
155.08533	6.1
156.09322	7.1
157.10112	32.5
159.11693	15.9
161.09593	15.8
161.13269	7.8
163.11145	7.7
165.09140	27.0
170.11021	6.1
170.30284	4.5
171.11713	8.4
173.09634	8.0
173.13277	5.1
175.11188	18.1
183.62247	4.2
185.13222	16.8
197.13255	7.3
197.93524	4.7
201.12578	5.9
203.14374	25.5
203.17865	7.9
207.13701	9.8
215.14288	6.3
221.15366	75.7
225.12700	6.1
225.16354	6.9
227.14386	5.8
233.15623	5.3
234.16107	12.3
277.08209	4.6
287.19815	5.6
303.19333	9.8
323.09314	5.8
334.59741	5.9
359.60822	20.1
360.10788	10.1
365.24744	13.1
368.61691	6.2
371.11725	10.9
371.61862	8.6
383.11716	14.7
383.25803	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2216
Annotation	5'S-Hydroxyumbelliprenin
Peak:m/z	Relative Intensity
52.36540	5.2
55.01862	7.8
55.05511	20.2
57.07076	14.1
63.74735	5.7
67.05494	25.1
69.07059	49.2
71.60492	11.7
77.22840	5.6
79.05482	27.0
81.07056	99.5
82.07376	5.9
83.04961	16.0
83.08611	16.5
91.05477	32.2
93.07046	52.4
95.04987	7.2
95.08601	100.0
103.05470	57.0
105.07018	48.9
107.04938	9.7
107.08587	65.3
109.10157	51.2
113.49194	5.5
115.05479	14.1
117.07037	7.6
119.04922	11.6
119.08584	28.2
121.10128	44.9
123.04424	18.9
123.08087	38.7
123.11705	34.3
129.07025	12.2
131.04924	72.8
131.08582	19.3
133.10088	25.9
135.04300	7.5
135.11697	14.6
137.06012	9.7
137.13258	13.0
141.07001	10.0
143.04938	21.8
143.08557	8.3
145.06487	12.2
145.10124	28.1
147.04417	71.0
147.11676	26.7
148.12161	6.5
149.05983	38.5
149.09605	7.8
149.13297	21.0
151.11197	6.7
151.14873	6.5
153.07080	7.8
155.08675	6.6
157.06479	10.4
159.04422	12.9
159.11720	9.9
161.05943	34.9
161.13115	8.6
161.41103	6.7
163.03893	5.8
163.14885	16.8
165.05472	31.3
165.06879	10.7
167.08542	15.9
173.05998	55.2
175.03888	8.9
175.07483	5.8
175.14845	8.8
177.05458	13.0
177.16393	69.5
179.08609	10.9
181.06523	24.7
183.08145	6.4
187.03932	10.4
187.07565	21.9
187.14789	8.1
189.05470	12.8
189.16345	14.9
193.04988	41.3
193.06523	9.0
193.10051	11.5
195.06445	12.6
195.08080	25.1
197.05969	13.9
199.07536	17.2
201.09073	6.3
201.16441	14.3
203.07033	13.9
203.17921	23.1
205.15891	22.6
207.08075	9.8
207.11774	8.8
207.17439	61.7
209.09656	8.4
211.07596	12.1
213.05481	6.0
213.09134	25.8
215.07080	6.8
217.04973	37.2
217.41353	7.5
219.06572	13.1
221.09532	11.9
224.18289	5.5
225.09174	12.3
231.06529	65.1
233.07887	7.8
235.11176	6.8
239.10733	17.4
240.11617	6.5
245.07857	6.4
253.12256	18.5
259.09674	23.2
267.13779	16.3
281.11575	7.4
281.15344	17.2
299.12802	17.2
323.20105	20.8
327.15875	13.7
337.21606	46.9
347.19995	18.2
365.21130	79.2
383.22269	62.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	3.0
55.05511	6.7
57.03431	2.6
61.02920	5.1
67.05482	4.1
69.03427	12.9
69.07040	4.8
70.06590	3.4
71.04990	15.1
71.41603	4.5
73.02900	3.0
73.06543	4.7
79.05499	6.0
81.03403	4.8
81.07056	5.8
83.04977	40.8
85.02895	24.9
85.06530	2.6
86.81360	2.4
90.05435	1.8
91.05470	4.0
91.13957	2.0
93.07037	5.8
95.04967	30.3
95.08595	4.3
97.02905	7.0
97.06509	9.6
99.04462	6.9
100.73157	1.7
103.63834	2.1
105.07005	4.2
107.04951	4.5
107.08587	15.0
108.08926	4.2
109.02868	2.6
109.06553	2.8
109.10154	9.1
111.04450	2.8
112.12086	1.8
113.06012	3.3
115.05388	2.1
116.98621	1.9
119.04943	3.9
121.06500	4.4
121.10149	8.9
122.10394	2.1
123.04417	3.4
123.08066	4.2
124.05209	2.4
125.06015	3.1
125.09627	100.0
126.09943	3.8
127.03928	13.4
135.04379	2.2
137.09619	45.9
137.10591	4.0
138.09970	2.6
139.11168	4.5
143.10660	3.6
145.04968	3.5
147.04399	8.2
149.09616	2.6
155.10707	6.9
157.12210	2.2
159.02879	3.2
163.03853	3.3
167.10677	61.8
168.11023	6.4
173.04440	3.6
185.11731	50.0
186.12074	8.5
187.05959	14.4
203.12776	68.3
204.13159	11.5
204.82181	2.3
205.07048	2.0
221.13835	21.6
351.12183	2.1
383.13095	27.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2216
Annotation	3-Hydroxy-5-methyl-2-[8'-oxo-farnesyl]-coumaran-3-one
Peak:m/z	Relative Intensity
54.06297	1.6
55.01871	2.0
55.05507	12.1
57.07066	6.7
65.03922	3.2
67.05502	17.3
69.03414	3.1
69.07072	21.3
69.84802	6.7
69.85204	4.3
79.05489	17.7
81.07056	42.8
82.07386	2.1
83.04979	5.7
83.08623	6.8
87.15907	1.9
91.05476	32.9
92.62608	1.8
93.07043	37.6
95.04987	5.7
95.08607	35.6
97.06542	6.6
103.05503	2.3
105.07025	38.9
107.04949	4.8
107.08593	39.7
109.06506	13.2
109.10147	24.1
111.08082	5.8
117.07021	7.3
119.04951	25.8
119.08582	37.7
121.06489	9.2
121.10148	37.6
123.08058	11.2
123.11684	8.1
125.09641	2.5
125.59185	1.9
129.07053	3.0
130.07768	3.6
131.08569	19.9
133.10110	17.7
135.08052	5.4
135.11697	21.5
137.09647	5.3
137.13348	2.4
143.08556	3.3
145.10118	33.6
145.11148	3.0
147.04405	100.0
147.11682	18.4
148.04840	2.2
149.09665	8.2
149.13275	5.4
151.07610	1.5
151.11217	8.1
157.10141	3.5
159.11696	23.9
161.09599	2.4
161.13272	13.2
163.11189	15.2
163.14885	2.5
165.05473	3.7
165.09193	2.2
173.13277	7.4
175.14859	6.2
177.12779	5.5
177.16377	3.7
178.08469	2.1
191.17935	2.6
201.16374	21.9
219.17415	35.0
221.15427	3.7
257.03287	2.6
383.21555	7.5
383.26260	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.17
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	5.5
55.01859	8.4
55.05505	13.8
57.03424	8.4
61.02915	5.7
65.03926	2.4
67.05492	15.9
68.99778	5.3
69.03428	66.4
69.07051	6.1
71.01350	4.1
71.04983	6.9
71.61584	4.3
73.02905	5.9
79.05486	24.3
81.03407	28.7
81.07049	39.8
83.04971	13.6
85.02903	66.1
85.06520	3.1
87.00833	26.1
87.04459	2.3
87.43822	2.0
91.05481	38.7
93.06470	3.5
93.07040	62.1
95.01311	14.3
95.04966	37.3
95.08601	12.6
97.02891	31.6
97.06532	10.5
99.04453	6.1
100.33783	1.9
101.02354	4.1
103.03930	8.1
103.05447	5.0
105.01849	8.8
105.07021	90.2
107.04959	12.7
107.08586	40.1
109.02859	6.6
109.06512	22.0
109.10144	9.0
111.04399	9.0
111.08064	5.5
113.02341	8.0
115.03903	5.4
115.05450	6.7
117.06995	20.1
119.04944	6.6
119.08578	84.4
119.09455	3.2
121.02848	2.5
121.06488	28.7
121.10132	41.8
123.04423	8.7
123.08035	7.0
123.11697	3.1
125.05973	7.3
127.03915	11.0
128.06213	6.0
129.01857	5.5
129.06996	10.3
130.07780	6.3
131.04945	3.1
131.08571	20.6
133.06491	16.4
133.10126	16.3
135.08044	18.6
135.11703	18.9
137.05956	4.7
137.09547	10.4
139.07550	2.5
141.06998	8.2
142.07770	21.2
143.08543	30.3
144.09326	3.8
145.06441	8.3
145.10112	100.0
146.07234	2.8
147.02847	2.3
147.08038	11.8
147.11687	78.0
149.05966	4.0
149.09625	5.0
149.13255	21.4
151.07530	54.0
151.11162	2.5
153.06950	3.7
153.09132	2.5
155.08545	20.7
156.09323	7.8
157.06407	2.4
157.10117	44.1
159.02866	7.1
159.08092	11.9
159.11678	53.6
161.09616	18.3
161.13190	5.0
163.07538	4.1
163.11185	8.3
165.06990	2.9
165.12730	4.7
167.07042	2.0
167.08568	4.7
168.09331	8.8
169.10091	21.9
171.02924	5.7
171.11661	13.0
173.09610	4.2
173.13268	8.0
175.07506	9.5
175.11176	58.5
177.12727	6.8
181.10089	6.3
182.10968	6.7
182.15218	2.3
183.11707	19.4
185.09572	5.6
185.13251	2.3
187.07524	4.0
187.11119	7.1
189.03932	11.8
189.12759	7.6
192.09332	10.5
193.08603	2.5
193.12306	3.2
195.08128	2.6
195.11725	3.2
197.13214	20.1
199.11172	6.1
201.03905	3.8
201.09140	2.9
201.12714	15.8
207.11691	14.4
207.13385	2.4
210.10403	2.2
211.09627	3.9
213.12787	3.5
215.14336	11.2
217.03517	2.4
219.13835	3.5
225.12730	28.0
231.05003	6.7
231.13716	4.1
243.13792	37.1
244.14153	2.4
255.08684	2.2
261.09216	2.1
261.14819	18.9
279.15897	15.6
333.11060	2.1
347.15015	10.0
351.12137	2.6
365.15958	17.6
383.17316	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	383.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02364	0.9
53.03939	3.4
55.01865	5.2
55.05495	2.9
57.03431	4.3
57.03669	0.9
57.07084	1.0
59.73472	0.9
61.02915	1.3
62.06458	0.8
65.03920	1.1
67.05489	2.0
68.99783	3.3
69.03426	29.8
69.07039	1.0
69.67804	5.6
70.72333	0.9
71.01331	2.3
71.04969	2.6
73.02907	2.9
79.05476	5.7
81.03412	14.6
81.07047	10.7
83.04970	5.1
85.02898	21.1
87.00820	14.0
91.04962	1.5
91.05479	19.0
93.07039	100.0
95.04951	7.1
95.08603	2.7
97.02888	15.1
99.04453	4.4
101.06006	2.7
103.03909	1.2
103.05428	1.2
105.01881	4.3
105.04495	1.6
105.07030	24.8
107.04945	1.9
107.08600	14.0
109.02866	12.4
109.06512	2.2
111.04440	13.4
114.97050	0.9
115.03915	4.1
115.05444	1.7
117.07030	5.2
119.04935	3.4
119.08573	18.2
121.06501	3.8
121.10155	5.4
123.04426	1.6
123.08029	1.1
123.11649	1.1
125.02316	1.6
127.03892	10.2
128.06197	4.3
129.01820	2.6
129.05536	1.9
129.06998	7.2
131.04854	0.8
131.08559	11.1
131.97614	0.8
133.06487	2.8
133.10110	4.2
135.08057	4.5
135.11688	12.6
137.06009	0.9
137.09644	1.0
137.13242	3.2
141.07007	3.0
142.07780	11.4
143.03391	2.3
143.08551	14.3
145.05135	1.0
145.06471	3.1
145.10115	9.4
147.02876	1.5
147.08054	4.9
147.11681	12.4
149.09612	1.2
151.11163	1.6
154.00797	0.9
155.08508	3.1
157.08932	1.8
157.10118	20.6
159.02885	5.2
159.08037	5.5
159.11685	7.4
161.09566	4.5
161.13135	1.1
163.04045	1.0
163.11151	6.7
165.06978	1.0
165.12729	3.1
167.08563	8.8
169.10120	1.4
170.07236	1.2
171.02859	1.5
171.11664	2.5
173.09612	3.5
173.13261	1.3
175.07585	1.8
175.11194	4.3
177.12750	3.2
182.10922	1.0
183.08054	2.4
183.11711	1.8
185.09610	28.1
186.10068	1.0
187.11119	0.9
187.14821	1.1
189.03903	2.6
189.12714	2.8
197.13243	2.2
199.11168	1.3
201.03934	6.9
201.09044	4.3
201.12744	2.7
203.10655	15.3
207.11874	0.9
207.13756	2.6
215.05504	3.7
215.14339	3.8
219.13811	1.9
221.11766	2.7
225.12758	4.4
231.04991	9.4
233.15448	1.3
243.13780	11.0
250.04857	1.8
261.14828	6.4
278.08118	1.5
279.05322	4.2
279.15915	3.2
289.10803	2.4
294.07556	3.5
295.57510	1.2
299.05411	1.4
307.11841	7.1
322.07098	16.7
325.12805	1.9
329.14069	1.1
347.14880	3.1
365.16052	7.7
383.12271	3.1
383.16901	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.17
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	11.1
55.01876	19.3
55.05506	17.9
57.03432	10.3
58.06588	6.0
61.02925	6.7
65.03961	4.2
67.05504	21.6
68.99789	10.0
69.03430	100.0
69.07055	13.3
69.45936	25.4
69.46342	4.4
71.04993	59.4
73.02912	6.0
79.05492	29.8
81.03420	79.1
81.03912	4.5
81.07056	44.1
83.04968	11.5
85.02910	47.6
87.00821	27.2
91.05477	49.9
93.07045	48.5
95.01331	5.8
95.04972	24.6
95.08601	24.6
97.02893	39.4
97.06540	10.0
99.04470	8.4
99.08103	19.0
103.03951	6.2
103.05470	4.6
105.01863	11.7
105.06306	4.4
105.07024	76.0
107.04981	17.8
107.08600	50.5
109.02874	4.1
109.06512	26.8
109.10156	25.9
111.04433	9.3
111.08082	3.5
115.03947	9.4
115.05418	4.4
117.01888	3.6
117.07018	29.0
119.04897	15.4
119.08578	47.0
121.06503	33.3
121.10141	28.8
123.04423	14.8
123.08066	15.8
123.11729	15.2
125.05986	5.6
125.33356	3.2
127.03925	16.9
127.07555	33.2
128.06221	10.0
129.01826	4.7
129.07022	14.0
130.07782	10.8
131.04918	5.0
131.08571	28.7
133.06480	15.4
133.10121	28.9
134.04555	3.2
135.04436	4.1
135.08032	14.8
135.11685	28.3
137.05991	4.5
137.09634	11.9
137.13286	6.4
141.05455	3.0
142.07794	4.0
143.08574	20.3
145.06502	12.4
145.10121	42.5
147.08063	24.2
147.11710	22.8
149.05960	4.2
149.09637	11.2
149.13341	3.0
151.07504	9.2
151.11165	22.2
153.07013	4.6
153.12796	3.6
155.08525	15.0
157.06383	4.1
157.10139	9.6
158.07239	4.5
159.02917	11.1
159.08020	15.1
159.11725	18.3
161.09659	7.4
161.13258	4.4
163.03932	6.5
163.07576	9.2
163.11200	18.6
165.12733	26.4
171.08000	17.7
171.11601	4.1
173.09616	57.3
173.13240	4.1
175.07521	23.8
175.11243	13.1
177.12721	27.8
179.10553	4.4
181.04976	6.7
183.11722	4.1
187.11206	4.9
189.03990	9.4
189.09135	14.1
189.12781	13.2
191.10658	33.0
191.63199	3.5
193.12260	13.3
197.13277	8.5
197.38687	3.3
201.04024	23.7
201.09195	7.4
201.12747	5.8
205.12282	7.2
207.13765	4.8
209.11758	6.8
215.14249	10.9
217.12346	5.5
219.13797	10.3
225.12746	9.1
231.05101	5.6
233.15358	8.8
243.13820	34.1
247.07497	3.7
261.14865	49.6
279.15887	20.7
347.14780	25.3
365.16092	26.5
368.12424	5.3
383.16833	21.3
392.58029	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	383.1486
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76529	1.5
51.18554	1.7
55.05500	4.7
56.96555	2.8
57.03453	1.9
67.05499	10.2
69.03416	3.8
69.07086	4.1
71.04981	1.7
71.60987	2.7
78.12700	1.6
79.05496	4.7
81.03432	1.8
81.07052	12.9
83.08594	2.2
84.11401	1.6
85.02902	4.4
91.05487	5.4
93.07041	5.4
94.04161	5.2
95.08610	5.0
97.02892	3.3
98.97583	2.1
103.05471	3.1
105.07024	10.1
107.04961	3.4
107.08619	3.5
109.06544	4.2
109.10154	9.3
112.71119	2.0
115.05437	2.7
119.08578	3.2
121.06468	2.5
122.03658	12.2
123.04427	2.5
123.11687	5.3
128.06230	2.0
133.06448	4.3
133.10133	2.5
135.11656	2.0
137.05971	100.0
138.06361	3.0
139.05533	1.6
147.04411	7.2
148.04704	3.3
161.05988	31.9
171.07983	2.3
175.07538	2.3
179.81409	2.0
184.05197	5.1
191.08615	3.4
192.09372	2.8
199.07523	34.0
202.07706	11.7
203.08540	22.4
219.08101	6.5
220.08842	7.3
230.07272	2.6
231.08020	23.9
232.08798	7.1
232.41750	2.1
235.11174	1.8
245.09833	2.5
247.07507	4.4
248.08336	16.5
249.09093	3.7
255.12805	1.6
259.07495	18.2
260.08322	9.9
262.09946	1.9
263.06445	1.7
263.10632	12.7
267.35361	2.0
268.69345	1.9
275.07114	3.6
276.07803	7.8
277.08578	7.4
291.10150	70.2
292.10654	9.2
293.08191	2.3
295.09991	1.7
295.13245	3.7
323.12808	23.2
351.12589	2.3
383.14972	6.4
383.25034	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.131
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96555	0.4
61.02936	0.4
69.03400	0.8
70.06559	0.7
71.58558	0.3
74.65644	0.4
75.60932	0.3
81.07039	0.7
85.02895	1.4
91.05467	0.4
93.07057	0.4
97.02873	0.5
107.04953	0.4
107.08591	0.3
116.54831	0.3
117.12580	0.3
121.10144	0.4
137.06030	0.3
145.02766	0.5
146.97946	0.3
147.04396	0.4
151.07819	0.3
163.03899	2.0
163.05034	0.3
181.04903	0.5
185.11636	0.6
186.11998	0.4
194.04451	0.4
203.12648	0.6
203.14381	2.1
203.16077	0.4
221.07860	0.8
383.13107	100.0
384.13419	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	4.0
55.05503	2.2
56.96555	9.2
56.99546	1.8
57.03442	9.9
59.05009	2.4
61.02916	5.8
69.03128	2.4
69.03432	24.8
69.45734	5.5
69.46137	11.1
71.04992	4.1
73.02926	12.4
74.02450	3.5
74.50554	2.2
81.03406	18.7
81.07040	4.0
83.04954	4.1
85.02422	3.8
85.02904	59.1
85.07652	2.4
87.04464	5.1
88.73754	1.9
91.03967	2.2
91.05486	7.3
93.07023	6.8
95.08591	2.4
97.02890	27.0
98.20756	4.4
98.97580	16.1
99.04450	5.8
101.00861	2.6
103.03935	5.6
105.07054	2.1
105.46209	2.0
107.04945	6.6
107.08566	9.2
109.02903	9.8
109.10161	2.9
111.08022	2.7
115.03889	3.3
116.98633	13.8
117.05760	2.3
118.06527	11.2
119.01835	4.9
119.04937	4.6
121.06480	4.1
123.11707	3.5
127.03901	13.6
128.98570	5.6
130.06529	58.6
131.01881	2.5
132.04460	13.3
132.08099	9.1
133.10123	4.3
134.05984	2.7
134.99597	4.0
135.04456	6.1
136.06142	3.2
137.06021	14.8
142.06474	2.9
143.00191	2.7
143.07333	3.9
144.04457	4.7
144.06851	6.2
144.08081	34.3
145.04965	6.2
145.07602	34.1
146.06017	24.1
146.99680	4.8
147.04416	9.8
148.07588	7.3
151.07437	3.3
151.11206	4.2
154.06499	5.7
155.00060	2.4
156.06804	3.0
156.08047	5.6
157.07619	51.6
158.06012	45.1
158.08257	2.8
158.99660	2.9
159.09178	19.4
160.07513	9.8
161.01181	4.2
161.02869	3.3
163.03891	13.7
167.07355	3.4
167.10684	4.0
169.07626	24.6
170.06035	2.9
170.08411	15.0
171.09171	15.6
172.07562	9.5
173.02977	3.1
174.05502	6.6
175.08665	44.1
177.00725	10.2
179.06998	5.0
180.08034	3.6
181.07576	5.1
182.08372	7.0
183.09158	24.9
184.06160	3.0
184.07587	8.5
185.01112	2.3
185.07072	32.7
185.11760	4.9
185.13484	3.3
186.05515	4.7
187.08638	8.6
188.07056	4.5
189.00761	2.8
190.08629	3.2
191.03767	4.1
195.09178	4.6
196.07512	3.0
197.07022	6.1
198.05504	4.3
199.04536	2.6
199.08589	10.4
200.07053	17.0
202.07027	2.6
203.08154	84.9
204.06549	2.4
206.08369	4.2
207.09184	17.0
208.09930	2.8
209.07040	7.2
209.10686	3.8
210.09129	4.0
211.08711	6.2
213.06555	4.6
214.08533	2.6
215.08208	14.3
216.06802	3.4
216.08910	12.7
217.05469	4.2
217.09735	23.3
219.01767	9.3
219.09117	3.9
221.04958	4.1
221.07053	3.5
221.09155	53.4
222.09354	2.3
223.08688	4.4
224.07045	4.2
225.10280	2.4
226.08844	2.3
227.08148	14.7
228.06522	4.2
231.07629	15.2
233.08975	5.2
235.02724	2.3
235.05406	3.2
235.08636	5.7
237.02727	14.0
237.06055	3.3
237.10271	5.2
238.08618	4.8
245.09196	26.2
246.04776	2.3
249.10060	2.2
253.09789	4.3
257.09204	11.8
263.08032	2.8
263.10333	22.8
265.09686	3.4
266.08243	6.0
267.11172	4.7
269.09094	12.5
274.10751	7.2
275.10425	12.7
281.09158	5.7
283.10696	5.3
283.72986	2.1
284.11725	3.5
285.12296	5.7
287.10263	5.4
289.07471	11.0
292.11795	3.3
293.08786	3.9
293.11957	3.7
295.04877	2.5
298.08023	7.8
299.10266	17.9
301.11725	5.6
302.10168	2.9
303.13480	2.2
311.10327	8.5
317.11218	3.1
323.09979	11.9
329.11343	24.5
330.09607	2.6
347.12378	100.0
348.10614	15.4
365.13440	99.3
365.18091	4.4
366.13699	4.5
383.14474	44.3
389.16000	2.4
399.11386	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	382.9975
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98647	0.4
56.96288	0.5
56.96562	7.7
69.64433	1.7
71.95244	1.0
79.40493	0.2
81.07050	2.4
95.08582	0.5
98.97576	42.1
105.95329	0.2
111.22470	0.2
115.14116	0.2
116.98613	52.8
119.01911	0.4
119.04927	0.4
134.99651	49.7
136.00020	0.4
136.09422	0.2
137.02957	0.2
137.13222	0.9
140.00183	1.6
147.04419	2.5
153.00699	11.5
158.01262	2.4
176.02310	0.6
177.00951	0.9
178.01106	0.2
179.00757	0.4
181.97429	0.4
192.98732	0.6
198.97772	0.3
215.63145	0.2
216.98631	1.0
219.01981	2.1
220.02100	1.0
221.01730	0.5
223.04333	0.2
234.99794	3.2
236.00026	1.0
236.99620	0.6
240.98616	5.2
241.98801	0.5
247.04585	1.2
253.00899	0.3
254.01054	0.4
256.96609	0.3
258.01218	0.3
258.99759	45.3
259.99954	3.5
260.04343	0.2
260.99905	1.3
261.03061	2.2
262.03110	0.3
263.02863	0.7
264.98914	0.3
265.02911	0.2
265.05493	0.8
274.97644	0.9
275.97803	0.9
277.00812	100.0
278.00995	7.4
278.04108	0.4
279.01001	2.0
280.00955	0.5
282.01389	2.7
282.99936	3.7
283.06726	1.1
284.00070	1.7
284.99750	2.4
291.02399	0.3
292.98587	0.3
295.01874	1.6
298.97787	0.6
299.97952	1.1
300.02383	7.8
300.05804	0.5
300.97574	0.4
301.00967	8.3
302.01126	4.3
303.00864	5.8
304.00943	0.9
316.98959	1.4
317.98935	2.5
318.98679	0.7
319.02142	0.8
320.02390	0.2
321.01813	0.6
324.02640	0.5
341.01996	1.0
341.98907	0.6
343.02249	0.2
359.01074	1.2
359.99893	2.4
360.99683	0.9
377.02704	0.9
378.01596	0.3
379.95520	0.3
382.95966	0.4
382.99466	1.0
383.04391	0.4
383.99918	0.3
400.96948	1.9
401.01520	7.8
401.96680	0.3
402.01477	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.2587
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.3
55.01866	1.3
55.05514	10.4
56.05024	6.0
57.03429	3.5
61.50933	1.0
65.03931	3.6
67.05168	1.9
67.05507	29.6
68.05041	1.2
68.79298	1.0
69.07065	52.0
69.51420	9.9
70.06590	2.1
71.05000	1.4
74.15932	1.1
79.05495	26.3
79.29431	1.0
80.05009	9.7
81.07056	35.9
82.06555	3.2
83.08616	5.2
89.58636	1.2
90.35342	1.0
91.05472	20.6
92.05003	11.0
93.05782	1.5
93.07044	35.0
94.06556	9.5
95.04963	3.5
95.08609	14.4
96.04498	1.9
96.08126	4.2
97.06513	2.6
97.10160	2.8
98.06043	1.6
103.05482	1.2
104.54191	1.2
105.07021	10.6
106.06567	11.0
107.08587	19.8
108.08092	6.3
109.06514	4.0
109.10159	13.1
110.06016	1.3
110.09698	1.7
111.04459	5.3
115.05445	1.5
117.07021	16.7
118.06516	2.4
119.04943	2.7
119.08609	5.8
120.08101	12.2
121.08931	1.1
121.10120	5.6
122.09684	3.3
122.10528	1.2
123.11704	1.1
129.06970	1.4
131.08556	9.4
132.08064	3.0
133.10130	4.6
134.09653	9.9
135.08041	1.4
135.10684	1.5
135.11707	3.9
137.05971	19.5
143.08582	1.7
144.08130	1.8
144.09364	1.6
145.10103	2.4
147.04437	5.6
147.10413	1.9
147.11624	2.3
148.04726	1.8
148.11160	5.4
149.09608	1.7
149.13264	10.6
151.07550	1.3
158.09634	1.0
159.11673	9.0
160.86610	1.2
161.09665	1.8
162.12709	1.5
163.03923	2.1
176.14359	18.2
177.12737	15.1
186.12816	1.9
194.15392	15.2
204.13881	4.2
212.16461	3.7
222.14874	100.0
223.15303	3.1
239.02325	1.2
249.18600	1.9
257.03308	1.6
268.18991	3.5
272.20248	1.2
277.17999	14.4
278.17526	35.4
279.17856	1.3
290.21094	4.0
295.18945	6.0
364.24683	6.4
382.25928	4.2
383.24103	4.4
400.99115	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.2587
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	15.3
55.01863	4.1
55.05515	55.1
56.05026	2.9
57.03427	6.1
58.06591	1.5
59.04997	8.5
63.08562	1.2
64.56285	1.6
67.05170	1.7
67.05506	20.9
68.05001	2.3
69.03442	2.3
69.07068	10.3
69.94407	2.6
69.94817	6.1
70.06584	1.9
75.04474	2.5
77.03910	1.5
79.05495	100.0
80.05012	4.3
81.03401	1.6
81.07057	18.1
82.06595	3.6
83.04963	3.8
83.08620	16.1
85.06544	1.8
91.05486	33.4
92.04997	3.1
93.07047	36.6
94.06557	2.6
95.04971	28.7
95.08606	5.8
97.10174	39.2
105.04515	5.6
105.07023	5.3
106.06553	4.2
107.08588	14.6
109.10184	3.3
115.11205	1.8
118.06547	1.7
119.08588	3.5
120.08137	2.7
121.10146	12.7
124.11213	5.4
125.09632	59.8
131.08559	4.6
132.08127	1.4
133.10123	1.7
135.08064	2.5
136.11188	3.7
138.12784	46.2
143.10695	14.9
147.08040	1.9
148.11229	5.6
148.33316	1.7
153.09120	2.1
162.12823	1.6
170.11810	6.5
173.15373	3.4
176.14380	5.2
189.11186	11.1
199.13338	11.3
204.13844	5.1
222.14864	3.9
272.20184	2.8
290.21164	37.8
291.21515	1.9
318.69171	1.8
364.24820	53.5
365.24911	2.5
382.26004	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	382.2586
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	5.8
53.28422	1.0
55.01861	4.6
55.05507	12.5
56.04788	1.3
56.05033	15.1
57.03428	4.6
57.07079	1.8
60.59731	1.4
65.03925	6.0
67.05503	59.4
68.05019	2.9
69.07066	55.3
70.02948	3.8
70.06584	3.4
71.04986	1.7
71.59710	2.5
71.97941	1.1
79.05489	45.2
80.04563	1.8
80.05014	27.7
81.05795	1.3
81.07053	55.1
82.06569	8.8
83.08614	5.4
84.08127	1.5
85.06530	9.2
91.05479	33.2
92.05023	6.8
93.05791	3.2
93.07040	50.7
94.06568	11.7
94.07158	1.5
94.07362	1.5
95.04958	8.6
95.08594	16.4
96.04483	4.4
96.08116	9.8
97.06538	11.0
97.10133	2.1
98.06049	4.3
103.05426	1.5
105.04549	1.3
105.07024	15.9
105.91228	1.2
106.06550	9.6
107.04951	2.8
107.08598	22.0
108.08128	3.8
109.06514	3.1
109.10141	8.8
110.09679	3.8
110.73125	1.5
112.07660	1.5
114.09162	1.8
114.16884	1.4
115.05482	1.7
116.06238	1.4
117.07023	17.9
118.06577	3.0
119.04983	3.0
119.08570	6.1
120.08085	8.9
121.08891	1.5
121.10110	6.5
122.09628	1.4
123.08092	2.0
129.07008	3.3
131.08583	14.7
132.08073	5.3
133.06558	1.3
133.09140	1.7
133.10109	9.1
134.09665	9.5
135.11690	7.7
143.08549	2.5
144.09317	2.4
145.10106	3.4
146.09642	2.1
147.04430	6.2
147.10393	1.6
147.11624	2.7
148.11189	8.6
149.09679	1.6
149.13261	14.8
157.10065	2.0
159.11687	10.6
160.11150	1.6
161.12053	1.9
176.14334	19.2
177.12740	83.6
178.13091	2.8
192.13832	1.7
194.15402	100.0
195.15640	1.6
204.13850	5.0
212.16460	31.9
213.16685	1.5
219.49263	1.3
222.14879	29.5
223.15247	1.4
239.02353	3.2
244.84984	1.1
251.16495	3.2
252.10547	1.3
257.03348	3.3
268.16296	2.6
268.19067	24.6
269.19379	1.4
272.20135	7.1
273.02774	1.6
278.17517	7.2
284.18384	1.6
290.21118	15.3
308.22150	1.7
346.23795	3.4
364.20538	2.3
364.24823	29.1
377.23770	1.3
382.25763	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	382.207
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.1
55.05507	6.0
57.03444	2.3
59.04998	4.2
60.28497	0.8
61.02927	2.4
67.05502	3.8
69.03420	6.9
69.07057	5.8
70.06609	1.6
71.04989	6.5
71.33910	1.6
72.08169	1.7
79.05484	5.9
81.03417	1.8
81.07052	19.4
83.04983	9.0
85.02904	13.3
86.09702	1.0
91.05476	2.7
93.07043	8.7
93.53470	0.8
95.04967	5.1
95.08601	12.3
97.02895	3.6
97.06538	5.8
97.10158	2.3
99.04457	0.9
105.07047	2.2
107.04948	1.1
107.08591	28.6
107.09294	1.9
108.42280	1.1
109.02832	1.8
109.06527	5.0
109.10146	16.0
111.04420	1.9
111.08073	1.1
111.11709	4.3
113.06071	1.1
113.09675	1.4
121.06491	0.9
121.10139	21.6
122.10473	0.9
123.08055	10.4
123.11745	1.4
124.05776	0.9
125.05984	2.6
125.09624	27.4
127.03918	2.7
131.08577	1.8
136.08826	4.7
137.09621	13.3
139.10091	1.4
139.11172	26.6
140.02061	1.0
141.09087	1.2
145.04991	2.8
145.18997	1.0
147.04463	1.4
149.09607	5.0
155.10661	9.8
157.12233	9.2
163.03946	1.1
167.10672	61.2
168.10988	2.7
181.04800	1.1
185.11725	58.6
186.12071	1.2
198.93669	0.9
203.12775	100.0
204.13152	2.9
220.09525	0.9
226.77306	1.0
347.17032	1.0
353.09781	1.2
382.15579	1.8
383.10809	0.9
383.15073	2.4
401.10110	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.207
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.6
55.01851	0.7
55.05508	5.4
57.03429	1.5
59.04987	2.4
60.81672	0.5
61.02919	1.7
61.69308	0.5
67.05488	1.9
69.03075	0.7
69.03423	7.2
69.07063	4.8
69.53551	4.7
71.04987	8.2
79.05495	3.6
81.03423	1.7
81.07056	10.5
83.04977	6.8
85.02426	1.0
85.02901	14.1
85.06518	1.0
87.04471	1.0
88.12863	0.6
91.03936	1.1
91.05458	1.1
93.07050	5.4
95.04964	4.7
95.08604	7.4
97.02898	3.2
97.06520	6.3
97.10153	1.1
98.21480	0.9
99.04408	0.8
105.07027	2.3
107.04947	0.9
107.08593	19.6
109.02858	1.6
109.06503	2.5
109.09464	0.9
109.10161	12.8
111.04421	0.6
111.08065	0.8
111.11703	2.2
113.05982	0.5
113.09646	1.4
115.07574	1.6
120.68591	0.5
121.06469	0.7
121.10140	13.1
123.08066	7.1
123.11667	0.7
125.05998	1.3
125.09623	17.4
127.03922	2.8
127.07539	0.6
127.11227	0.6
131.08578	1.7
136.08846	2.6
136.77164	0.5
137.09616	13.3
139.11177	19.9
141.09085	0.9
145.04956	2.2
147.04390	0.9
149.09627	4.6
153.12686	0.6
155.10675	9.3
157.12253	3.2
167.10672	46.2
168.10991	0.9
179.15714	0.6
185.11725	31.9
203.12775	100.0
204.13196	3.2
382.11688	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03912	0.6
55.05492	2.8
57.03424	0.8
59.04995	1.5
61.02916	1.5
66.57011	0.7
67.05492	1.8
67.66595	0.7
69.03416	6.8
69.07061	4.1
71.04991	6.8
71.25694	0.9
71.26043	1.2
73.02874	0.7
74.70975	0.7
79.05463	1.9
81.03416	0.9
81.07040	6.4
83.04970	6.1
85.02898	10.3
91.03980	0.9
91.05486	1.2
93.07031	3.5
95.04980	3.5
95.08589	6.8
97.02879	3.1
97.06502	3.5
97.10151	0.8
99.04456	0.7
105.06996	1.1
107.08585	13.7
109.02872	0.8
109.06536	1.4
109.10153	9.9
111.08094	0.8
111.11734	1.1
113.09658	0.7
115.07555	1.2
118.24644	0.7
121.10132	9.2
122.10430	0.7
123.08029	5.1
125.09627	11.9
127.03883	2.3
131.08492	1.0
136.08827	2.5
137.09610	12.8
139.11162	15.6
140.04466	0.6
145.04910	2.6
149.09592	2.6
155.10657	9.0
157.12236	2.2
167.10661	43.3
168.11011	1.0
168.52956	0.8
173.11716	1.0
185.10468	0.5
185.11707	26.4
203.12767	100.0
204.13124	2.6
382.11691	0.8
382.20734	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1807
Annotation	Unknow
Peak:m/z	Relative Intensity
56.93585	0.3
56.96549	0.5
65.03957	0.8
65.94761	0.2
69.49647	2.4
71.04988	0.7
72.08154	4.0
80.94958	0.2
81.03413	0.4
81.07021	0.3
85.02903	1.2
89.03924	0.3
89.10789	3.4
91.05479	6.8
93.07048	0.6
95.04978	0.3
97.02940	0.3
98.06029	0.4
98.21437	0.6
98.97562	0.7
109.02866	0.3
109.10188	0.3
115.08690	0.6
116.98621	0.6
119.04940	19.8
128.98567	0.4
135.04420	0.8
136.04787	0.3
137.05962	1.2
145.02773	0.3
145.10158	0.6
147.04404	100.0
148.04768	1.4
159.11716	0.4
163.03920	2.9
164.04263	0.9
164.07123	0.3
175.07536	0.8
185.09601	0.2
202.06940	0.4
217.13336	0.7
218.11777	7.4
219.01761	0.5
220.07878	0.4
230.93030	0.3
232.36865	0.3
235.14401	41.9
236.14708	1.0
237.02815	1.5
261.02945	0.4
261.12329	2.8
279.03851	1.8
308.08817	0.3
312.30786	0.3
325.09497	0.4
349.10327	0.3
381.13718	1.4
381.18015	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	381.1332
Annotation	Glabrachromene I
Peak:m/z	Relative Intensity
51.02364	0.2
55.05511	0.3
56.96557	0.4
57.03431	0.4
61.55868	0.1
62.44107	0.2
65.03928	0.8
67.05489	0.6
69.03399	0.3
69.07050	0.4
69.49689	0.1
70.61954	0.6
71.04982	0.5
79.05486	0.5
81.03407	0.2
81.07064	0.8
85.02892	0.4
91.05479	10.3
92.05801	0.3
93.07040	0.7
95.08589	0.6
96.36776	0.2
97.02866	0.2
105.07021	0.6
107.05003	0.2
107.08578	0.6
109.10156	0.4
117.06982	0.3
119.04939	25.8
119.08566	0.7
120.05255	1.1
121.10112	0.4
123.08092	0.2
131.08539	0.4
133.10121	0.5
145.10143	0.5
147.04404	100.0
148.04738	3.4
149.09593	0.2
159.11748	0.2
171.11794	0.3
173.13235	0.2
217.08549	0.5
235.09717	0.3
257.19098	0.2
263.69669	0.2
267.09076	0.3
275.20053	0.7
285.10083	0.5
349.23593	0.5
367.49747	0.2
381.13321	16.2
381.26462	1.1
382.13608	1.0
396.21445	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.1706
Annotation	cis-zeatin-9-N-glucoside
Peak:m/z	Relative Intensity
57.03444	1.3
57.07069	2.7
59.04998	2.6
60.04519	0.8
61.02930	1.0
64.49859	0.7
66.24304	0.7
67.05498	2.5
69.03433	2.5
69.07062	3.5
70.02936	2.2
70.88777	2.4
72.04510	7.4
73.02920	4.3
74.46180	0.8
75.74680	0.8
78.05412	0.7
81.03419	1.0
81.06996	0.9
81.54803	0.7
83.06093	1.9
84.69270	0.7
85.02900	6.6
85.06541	5.2
85.07655	1.6
86.09692	1.3
86.42160	0.7
87.08093	1.7
90.05550	60.6
91.05458	0.9
95.04977	4.2
96.08148	1.0
97.02901	3.3
98.02407	7.2
100.03970	1.7
103.07583	2.8
105.07018	1.0
107.04926	0.9
107.08623	1.7
109.02853	0.8
109.10183	0.9
113.06007	1.6
116.03441	10.5
116.04176	1.1
123.04411	1.5
124.07580	10.2
127.03913	1.3
140.55130	0.8
142.08611	4.0
145.04932	0.9
160.09723	1.2
163.03914	1.2
166.08643	1.6
167.10692	3.4
170.58836	0.9
174.11253	1.7
184.09691	11.5
185.11758	3.1
202.10736	19.6
203.12833	0.9
210.08076	0.8
220.11792	100.0
221.12271	1.0
237.02835	1.8
322.08371	3.4
328.78284	0.9
382.10303	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1807
Annotation	Unknow
Peak:m/z	Relative Intensity
56.93585	0.3
56.96549	0.5
65.03957	0.8
65.94761	0.2
69.49647	2.4
71.04988	0.7
72.08154	4.0
80.94958	0.2
81.03413	0.4
81.07021	0.3
85.02903	1.2
89.03924	0.3
89.10789	3.4
91.05479	6.8
93.07048	0.6
95.04978	0.3
97.02940	0.3
98.06029	0.4
98.21437	0.6
98.97562	0.7
109.02866	0.3
109.10188	0.3
115.08690	0.6
116.98621	0.6
119.04940	19.8
128.98567	0.4
135.04420	0.8
136.04787	0.3
137.05962	1.2
145.02773	0.3
145.10158	0.6
147.04404	100.0
148.04768	1.4
159.11716	0.4
163.03920	2.9
164.04263	0.9
164.07123	0.3
175.07536	0.8
185.09601	0.2
202.06940	0.4
217.13336	0.7
218.11777	7.4
219.01761	0.5
220.07878	0.4
230.93030	0.3
232.36865	0.3
235.14401	41.9
236.14708	1.0
237.02815	1.5
261.02945	0.4
261.12329	2.8
279.03851	1.8
308.08817	0.3
312.30786	0.3
325.09497	0.4
349.10327	0.3
381.13718	1.4
381.18015	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	381.1244
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96561	7.2
57.03426	0.7
61.02931	0.6
67.60593	0.4
69.03423	1.0
70.13081	0.3
71.05000	0.5
71.59480	0.7
73.02892	1.2
81.03418	0.5
81.12092	0.4
83.04978	0.7
84.96025	2.1
85.02898	1.2
97.02883	1.0
98.97579	24.0
101.00898	1.5
103.02448	0.7
110.97569	1.8
112.99128	3.0
113.00903	0.6
115.00703	0.8
115.01727	0.3
115.02425	2.6
116.98624	14.3
119.01919	5.3
127.02444	0.5
128.98599	3.2
129.02232	3.0
129.03960	0.7
129.81790	0.4
131.00197	6.0
131.01898	5.2
133.01749	1.4
133.03462	18.7
134.03581	0.6
134.99655	4.5
137.02960	1.6
141.03954	0.7
143.00163	0.9
143.01884	3.4
145.01692	0.6
145.03465	3.8
146.99660	2.6
147.03296	5.8
147.05011	1.7
149.01225	4.3
149.02971	0.7
151.02797	0.5
151.03490	0.4
151.04494	2.9
155.01920	4.8
156.02679	0.7
156.05089	0.4
157.01779	0.5
157.02095	0.5
157.03485	4.3
158.99657	5.4
159.03305	4.0
159.05038	8.0
159.06334	0.5
160.05215	0.6
161.01297	0.8
161.02959	6.9
163.02766	0.4
163.04445	0.6
165.04329	1.3
167.02213	0.5
170.99698	1.1
171.03401	0.7
171.05006	5.1
173.01254	1.1
173.02959	7.4
175.02791	1.4
175.04518	4.4
177.00729	7.8
177.04356	11.1
177.06079	4.4
178.04919	1.5
179.02039	1.2
183.03310	1.2
183.05046	4.0
185.02968	3.1
185.06609	1.8
187.04520	1.5
189.00720	1.2
189.04353	3.7
189.06100	2.3
191.02258	1.2
193.03761	1.8
195.05400	7.4
195.07162	2.8
197.02933	4.4
197.06575	1.0
199.04495	1.5
200.02278	0.7
201.00679	1.0
201.04344	8.4
201.06093	2.5
203.03961	2.4
203.07742	0.8
205.03769	1.0
205.05522	0.7
207.05205	1.0
211.04538	2.5
213.06125	1.6
215.07648	0.6
217.03940	0.6
219.01799	6.3
219.05318	4.9
219.07166	17.2
221.05057	11.6
223.04477	0.4
225.06113	0.9
231.05333	0.7
231.07141	20.5
232.07368	0.9
233.08719	4.6
235.04724	0.7
237.02811	12.2
237.06332	0.7
243.05052	0.5
243.07225	1.0
245.05074	20.2
245.08859	0.8
246.05371	1.0
246.15543	0.4
247.04314	0.5
247.06750	0.7
249.06442	0.6
251.04417	0.9
255.04204	0.7
255.07126	7.6
256.07413	0.4
259.06680	1.5
260.04620	0.6
261.05859	0.6
261.08453	2.6
263.06110	1.4
263.09995	0.6
273.05518	0.7
273.08203	7.5
277.05887	0.7
285.08032	0.4
291.09195	0.8
295.06857	0.9
297.38708	0.4
303.09210	0.9
321.10568	100.0
322.10678	4.9
337.08087	0.9
339.09277	21.5
340.09756	0.6
355.08719	0.5
362.11758	0.9
381.10876	11.6
397.78754	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.0793
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22987	0.5
57.51436	0.5
70.31257	1.9
70.31634	1.1
74.87733	0.6
112.88918	0.5
129.59682	0.6
143.00180	0.8
201.01591	3.2
219.02699	1.9
245.58511	0.6
267.03796	0.7
370.60333	0.6
381.07919	100.0
382.08093	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	380.1832
Annotation	Unknow
Peak:m/z	Relative Intensity
66.91704	1.3
67.05502	2.6
69.33154	6.5
69.33583	8.2
79.05482	1.8
81.07047	2.8
82.29618	1.4
90.16866	1.3
91.05471	2.4
93.07056	2.0
95.08601	2.7
107.08587	2.1
119.04945	2.2
147.04399	6.7
149.01250	1.4
177.00453	1.5
203.42899	1.5
208.16978	3.3
222.41026	1.3
339.15677	100.0
340.16098	1.9
380.18158	6.8
380.24884	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	380.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	2.6
55.05489	2.7
57.03440	2.4
59.27173	1.6
60.04515	9.0
67.05494	13.3
68.39073	1.7
69.03416	9.9
69.07053	3.3
70.06583	3.1
71.04976	6.2
71.58595	2.9
72.08141	2.7
73.02905	2.7
73.22749	2.0
79.05472	5.4
81.03407	3.2
81.07049	12.4
83.04951	3.0
85.02905	15.8
87.04471	3.6
89.03913	2.1
91.05478	10.9
93.07020	10.9
93.12248	1.7
95.04956	4.4
95.08598	14.3
97.02885	7.4
97.06515	6.4
98.97527	2.0
99.04427	4.2
105.07005	7.1
107.04928	8.3
107.08583	5.4
109.02880	2.1
109.06503	38.4
109.10151	42.9
111.08114	1.9
112.21565	1.6
113.06001	2.3
115.03907	4.7
117.03300	1.8
117.06998	6.0
118.86234	1.7
119.08572	61.1
121.06474	2.6
121.10135	8.3
123.08060	30.2
125.05970	3.2
127.03898	6.2
129.06984	5.7
133.10117	2.0
135.04388	4.5
135.08037	2.1
137.05975	10.0
137.09605	40.7
138.06326	5.2
139.07593	2.3
141.09073	2.9
145.04886	3.0
146.99544	2.4
147.04408	2.5
147.08037	60.1
155.10692	3.5
163.03912	14.8
164.04207	5.5
165.09109	97.5
167.10654	2.7
183.10159	100.0
201.11237	22.3
206.08147	8.0
207.10184	2.0
225.07623	4.4
237.02895	3.4
243.08551	3.0
327.14374	7.4
362.25421	5.8
380.13553	9.2
381.11185	4.0
403.12750	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	379.2843
Annotation	Methyl 15-acetoxy-7-labden-17-oate
Peak:m/z	Relative Intensity
53.03945	1.7
55.01860	2.9
55.05512	16.4
56.09163	1.1
56.58113	1.0
57.07074	13.8
65.78847	1.1
66.59225	1.2
67.05505	20.9
69.03418	2.3
69.07059	17.8
69.52840	11.1
71.04987	2.6
71.08645	6.1
78.52446	1.3
79.05492	13.1
81.07052	27.8
83.04989	7.9
83.08598	5.2
85.06541	10.1
91.05472	9.4
93.07042	21.1
95.04949	3.1
95.08598	26.8
97.06519	10.4
97.10128	1.5
99.08082	2.4
105.07018	9.3
107.04961	2.3
107.08596	25.3
109.06516	12.4
109.10170	8.8
111.04434	28.7
111.08095	5.5
117.06994	1.7
119.08566	8.5
121.06447	1.7
121.10133	10.9
123.08052	10.3
123.11693	2.0
125.05973	17.8
125.09643	2.9
127.07568	1.3
130.07632	1.3
131.08577	2.6
133.10136	5.6
135.08051	16.5
135.11687	17.7
135.94435	1.2
137.05980	10.5
137.09616	1.9
137.13231	2.9
139.07538	3.2
145.10124	10.6
147.11688	4.6
149.09595	4.3
149.13225	2.3
151.07501	3.9
151.11165	1.5
152.08322	1.6
153.12709	5.6
159.11757	2.1
161.09627	2.5
161.13269	1.9
163.11168	5.7
163.14868	2.5
165.09030	2.2
165.12773	5.0
167.14388	2.2
171.11662	1.3
173.13292	1.6
175.11119	2.5
175.14775	1.6
177.12732	4.3
179.14285	4.5
181.12198	10.3
191.14319	2.7
193.12177	2.6
195.13803	5.9
205.15901	2.6
213.16257	1.3
221.19034	3.9
231.15730	1.7
233.18970	1.6
235.20541	2.4
249.18544	1.7
263.20023	4.0
277.21558	1.6
291.19571	1.7
301.25342	1.6
305.24728	86.5
306.24994	4.5
319.26337	22.6
320.26468	2.1
329.24747	5.3
347.25800	100.0
348.26154	4.9
351.28958	25.9
352.29141	2.7
361.27356	15.4
379.23413	2.4
379.28415	52.3
380.28683	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	379.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.8
55.01856	1.3
57.03436	2.4
57.53408	0.3
61.02920	3.0
65.03918	0.4
67.01852	0.5
68.01388	0.5
69.03429	6.3
71.04964	0.5
71.43813	0.8
73.02891	1.1
79.05463	0.4
80.05011	4.0
81.03418	2.3
81.07032	0.4
85.02900	25.8
86.09663	0.5
90.03424	0.5
91.03960	0.9
91.05481	0.5
91.30728	0.4
95.84827	0.4
95.97533	0.3
97.02877	2.7
99.04446	1.1
101.02380	0.6
103.03902	0.4
103.70361	0.3
108.04463	2.0
109.02884	1.9
110.03638	1.1
119.08604	0.5
123.04414	1.6
124.03928	1.0
127.03914	8.5
136.03964	3.1
136.05180	24.6
137.04733	3.4
137.09660	0.4
140.03404	1.6
145.04947	5.7
145.06647	0.4
152.03427	0.7
152.04573	0.3
154.06232	0.7
155.54176	0.4
162.07629	0.5
163.06056	2.0
164.03401	4.1
165.04237	1.5
171.37177	0.4
180.08617	2.6
182.04480	100.0
183.04831	0.7
200.05530	26.1
215.82030	0.4
216.08795	0.6
358.24872	0.4
379.09607	0.6
379.14044	0.5
380.89896	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1499
Annotation	heptacene
Peak:m/z	Relative Intensity
56.96535	0.7
57.45103	0.4
59.06113	1.6
66.12271	0.5
68.80507	0.4
69.03408	1.0
69.77432	3.0
70.06564	0.8
71.04992	0.6
71.16701	0.4
73.02897	0.4
81.07037	0.4
85.02884	2.1
89.03877	0.8
95.04981	0.6
97.02890	1.0
98.06038	0.5
98.97588	1.2
107.04951	1.3
107.08550	0.5
109.10091	0.6
116.98601	0.9
119.04918	1.0
119.08543	0.7
127.03929	0.8
132.04416	0.5
135.04393	1.3
137.05966	8.5
137.09598	0.7
138.06322	6.1
145.02814	1.1
146.06006	6.7
147.07983	0.7
158.08083	1.2
158.99535	0.5
161.01198	0.5
163.03914	5.4
164.04166	0.6
165.09077	1.1
172.06287	0.7
174.09122	1.7
177.00676	0.5
181.08582	1.1
182.08981	0.8
183.10239	0.6
188.07137	0.5
189.06523	0.7
199.05722	0.5
199.08710	1.5
200.09439	88.4
201.09731	2.8
216.61407	0.5
217.09718	100.0
218.10086	3.2
234.98940	0.5
237.02882	0.9
245.79712	0.5
256.14108	0.5
259.08398	0.5
379.15012	69.2
380.15665	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	379.2842
Annotation	Methyl 15-acetoxy-7-labden-17-oate
Peak:m/z	Relative Intensity
53.03942	1.1
54.65924	0.9
55.01871	4.8
55.05511	14.1
57.03432	1.5
57.07070	19.8
67.05505	15.0
67.95184	0.9
68.73602	1.0
69.03431	1.4
69.07063	19.0
69.30003	7.1
69.30428	3.2
71.04987	2.2
71.08622	1.8
79.05491	9.3
81.07055	28.4
83.05009	4.4
83.08605	8.0
85.06547	12.1
86.06845	1.0
90.15923	1.0
91.05463	7.3
93.07041	15.3
95.04950	1.6
95.08601	20.7
97.06533	5.5
97.10137	2.6
105.07033	8.6
107.08591	18.8
109.06512	13.3
109.10149	10.4
111.04428	7.5
111.08092	4.7
117.06996	1.3
119.08586	9.5
121.06528	1.5
121.10128	8.3
123.08080	9.2
123.11668	2.3
125.05982	5.8
125.09662	1.4
131.08543	3.2
133.10132	6.9
135.08040	13.6
135.11682	6.9
137.03122	1.1
137.05965	37.7
137.09599	2.5
137.13263	1.8
138.06776	1.2
139.07591	2.2
143.08548	2.1
145.10104	2.8
147.08046	1.2
147.11714	5.7
149.09654	5.7
149.13268	4.7
151.07564	5.5
151.11186	3.3
152.08298	2.0
153.12746	2.6
157.10146	3.3
159.11667	3.5
161.09650	4.9
161.13248	2.4
163.11221	1.8
165.09111	4.4
165.12758	4.2
167.14307	1.5
170.91632	1.1
171.11676	2.1
173.13245	1.1
175.11197	2.6
175.14795	1.9
177.12723	6.7
177.16499	1.0
179.10678	1.2
179.14320	2.6
187.14755	0.9
189.12636	1.5
191.14331	1.9
193.12250	1.5
194.13042	2.0
195.13878	1.0
203.17990	2.6
207.13747	4.5
221.18939	1.4
231.17410	1.5
233.19028	1.9
249.18481	2.3
263.20078	6.0
277.17972	4.1
291.19617	2.1
291.26810	1.2
301.25220	1.5
305.21118	1.0
305.24661	2.1
319.26309	9.8
323.22159	2.4
329.24780	3.2
347.25793	78.7
348.26218	4.2
351.28909	36.0
352.29721	1.0
361.27310	9.6
379.28418	100.0
380.28699	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	378.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02401	0.3
57.03419	0.5
60.04495	0.3
60.42470	0.3
61.02924	0.6
67.05493	0.5
69.03422	2.0
69.89277	1.5
70.06566	0.7
71.04971	0.5
73.02917	0.6
79.05470	0.6
81.03391	1.6
81.07053	0.3
84.08147	0.4
84.21002	0.3
85.02901	7.3
87.04443	0.3
89.03891	0.5
91.03965	0.2
91.05476	0.9
93.07029	1.0
94.04177	0.3
95.05000	0.3
95.08582	0.3
97.02893	1.7
98.97576	0.6
99.04442	0.3
100.51353	0.3
103.05455	2.6
105.07020	0.4
107.04945	0.4
107.08579	0.9
109.02862	0.8
109.06501	0.3
109.10120	0.5
109.62132	0.2
116.98619	0.5
117.03345	0.3
117.06982	0.7
119.04935	0.4
119.71117	0.3
121.06475	0.7
122.03629	1.7
123.04421	0.4
125.09605	0.4
127.03920	1.6
131.04938	1.0
135.04416	0.8
135.08070	0.9
135.11746	0.3
137.05969	100.0
138.06313	2.7
140.04640	0.3
145.02769	0.4
145.04935	0.9
145.06509	0.4
151.07529	1.3
153.09056	0.4
163.03928	3.9
163.07530	3.8
167.07042	0.3
167.10701	0.2
169.12140	0.3
175.07561	0.6
181.08583	20.5
182.08932	0.6
186.05426	0.4
187.07602	0.3
191.07166	0.3
198.11272	0.4
199.09601	0.7
205.08580	0.6
216.12344	0.4
223.09535	0.4
229.08568	0.5
237.02777	0.5
289.10754	0.4
307.11810	0.5
360.23587	0.5
378.08441	1.8
403.12787	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.1672
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40833	11.8
67.05497	21.2
69.51862	100.0
73.68074	10.2
81.07052	40.7
82.13496	10.2
91.05437	15.1
104.07320	11.8
105.07037	15.8
107.08584	22.8
109.10147	25.4
114.98491	11.9
122.06295	11.3
123.11753	25.9
134.99699	18.3
135.11617	12.7
141.50690	12.5
146.19524	10.7
147.04414	19.4
155.30809	10.7
163.11159	14.0
187.03656	39.8
191.08368	11.8
233.19064	21.9
241.05592	16.0
258.06680	10.5
337.13980	75.1
355.17740	13.6
360.25211	32.7
378.26318	14.9
379.24774	27.9
382.30984	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	378.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	0.6
55.05512	0.5
56.96563	0.9
57.03426	1.2
60.04522	1.5
61.02914	1.6
67.05504	0.8
69.03423	2.9
70.06584	1.0
71.04965	0.8
71.58335	0.4
71.58727	0.5
72.08121	0.4
73.02921	0.9
79.05471	1.6
81.03413	2.3
81.07041	1.4
83.04977	0.6
85.02905	11.1
89.03902	0.9
91.05476	2.4
92.70309	0.4
93.07050	3.4
95.04955	1.1
95.08598	1.1
97.02881	3.3
97.06493	0.5
98.97566	1.1
99.04449	0.7
103.05476	0.4
105.07016	0.6
107.04942	0.9
107.08575	4.6
109.02882	0.8
109.06499	1.1
109.10140	1.2
111.04353	0.5
111.08075	0.8
115.05418	0.8
116.07088	0.7
116.98595	1.2
117.06997	1.9
119.04927	1.0
119.08575	0.9
121.06516	5.3
122.03653	1.4
123.08059	0.5
125.09635	0.8
127.03912	2.8
128.04274	0.9
129.10341	0.5
131.04926	1.0
131.08586	0.5
135.04407	1.7
135.08046	4.9
135.11682	1.6
136.07562	0.5
137.05972	100.0
138.06311	2.2
139.03900	0.8
139.07526	1.1
145.02852	0.9
145.04984	1.5
145.06464	1.1
147.04402	0.6
149.09653	1.1
151.07530	1.6
153.09114	1.7
153.12733	0.8
158.99742	0.4
162.70406	0.4
163.02571	0.5
163.03899	7.8
163.07541	6.3
164.04205	1.3
165.09145	0.4
167.07011	1.2
167.10681	3.2
173.05948	0.7
175.07582	0.5
177.00667	0.7
179.07072	0.5
181.08592	22.0
186.05515	1.3
199.09723	2.1
203.07494	1.7
205.08597	1.5
212.08087	0.9
216.12740	0.5
219.01675	0.5
228.88971	0.4
235.09702	1.0
237.02802	1.1
265.10657	0.5
277.10706	0.6
289.10794	0.7
289.24255	0.4
293.10733	2.4
306.85034	0.5
307.11746	0.6
378.08688	11.8
379.09097	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1953
Annotation	NORCAESALPININ E
Peak:m/z	Relative Intensity
53.03930	0.9
55.05509	5.9
55.92102	0.4
56.96544	1.1
57.07054	0.6
59.05000	0.8
65.03943	1.1
67.05489	2.0
69.07065	23.9
69.83502	1.1
69.83920	2.2
79.05480	4.3
80.81718	0.5
81.07052	3.3
83.04981	0.6
83.08636	0.5
85.06594	0.6
91.05473	12.2
92.05824	0.6
93.07038	19.9
94.07366	0.7
95.04982	1.1
95.08624	3.0
97.06523	3.0
98.08875	0.5
98.21506	0.5
105.07045	1.4
107.08593	17.2
108.08921	0.8
109.06532	0.6
109.10129	2.1
119.04939	23.0
119.08641	0.7
123.11703	1.3
135.11684	19.2
136.12047	1.0
141.12762	0.9
147.04399	100.0
148.04718	2.6
153.12737	24.0
154.13103	0.7
165.05457	1.0
169.59239	0.5
207.04578	0.5
213.04390	0.7
213.14833	1.3
239.02246	2.0
257.03296	3.8
403.07217	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.109
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53787	2.5
50.93090	2.7
53.03935	6.2
54.27301	3.1
54.54929	3.1
55.01857	10.9
56.96554	30.5
57.03434	42.8
59.07283	2.7
61.02920	29.7
62.55302	2.7
65.67225	2.7
69.03427	47.1
69.32079	31.3
71.04975	12.0
73.02918	68.6
74.03231	3.9
81.03415	17.0
81.22363	2.7
82.01823	3.2
84.04479	2.8
84.96006	3.4
85.02902	100.0
86.03230	6.1
87.04436	6.9
91.03940	9.0
91.05476	21.3
92.01293	3.2
97.02889	48.4
98.03214	4.0
98.97579	47.4
99.04454	7.9
101.00822	5.3
101.02335	3.3
107.04942	16.6
109.02884	13.9
110.01277	7.0
110.97556	6.9
112.99130	9.3
115.02400	3.5
115.03951	13.4
116.01286	5.1
116.98627	33.4
117.02010	3.5
119.01862	17.7
119.04957	16.8
120.05199	2.9
121.06505	27.3
122.06771	3.2
123.56503	2.7
125.01768	4.4
125.05966	3.2
127.03912	38.8
128.02303	12.7
128.04179	3.2
128.98558	20.2
131.00154	13.8
131.01799	8.5
132.53474	2.6
133.03429	5.5
134.99629	11.6
137.01778	4.0
137.05968	13.3
138.02534	3.6
143.00175	9.9
143.01851	4.5
145.03484	4.2
145.04944	16.7
146.02287	8.7
146.99651	15.7
147.03119	5.3
149.01231	32.5
149.02383	4.4
149.02795	3.8
151.07521	20.2
155.02832	11.5
156.03625	6.5
157.03432	4.7
158.99654	24.2
161.01282	13.9
161.02766	13.6
162.03345	3.5
162.05424	4.2
162.55449	3.1
162.99199	3.8
163.03923	9.7
164.03304	3.7
165.00728	3.8
167.02272	8.2
170.03325	5.2
170.99611	14.5
173.01210	7.2
173.02948	9.2
173.35948	3.1
175.02826	3.8
177.00706	31.7
178.05006	6.8
179.02243	3.9
179.04640	5.3
182.03372	10.9
184.04956	3.4
187.02768	4.4
189.00752	19.3
191.02225	6.8
191.03822	38.5
191.54065	5.3
193.03770	3.0
195.01772	5.4
198.04663	6.2
200.02505	6.1
200.04407	81.3
200.06183	5.6
200.09468	6.2
200.54591	11.8
201.00705	14.7
201.04382	4.0
207.01871	5.5
207.05362	17.5
209.04921	18.7
211.02771	3.5
211.04654	4.0
216.04692	21.1
216.05698	10.4
216.57480	3.4
217.09708	5.3
219.01790	30.8
219.07103	2.9
220.55708	5.4
221.05017	5.9
223.04831	4.1
228.05682	8.0
229.06342	5.2
231.01627	6.8
235.04852	4.3
237.02763	21.6
243.08261	3.1
243.12213	3.0
243.58180	4.0
247.04834	3.6
249.45193	2.9
251.04324	7.2
253.84575	3.0
255.03990	4.5
257.03119	4.3
260.09680	3.9
261.02661	6.6
266.07202	7.5
269.05417	13.1
272.06473	14.4
272.56610	5.9
279.03790	10.1
279.07095	10.0
280.07065	4.7
281.06989	48.3
281.57175	17.5
287.06812	3.8
287.57111	3.4
288.07742	43.4
288.57864	10.3
289.07602	4.5
291.03854	3.8
293.05435	14.1
297.07321	24.3
297.57590	4.4
303.08957	4.2
309.04941	5.5
311.06528	15.8
320.10977	3.0
321.10257	5.5
322.10571	4.0
323.10019	4.6
324.09976	5.0
362.10385	4.3
378.11310	8.7
378.16010	3.7
379.10672	7.5
379.15210	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1594
Annotation	threo-Guaiacylglycerol beta-coniferyl ether
Peak:m/z	Relative Intensity
53.03943	1.6
55.01870	6.0
57.03425	1.4
65.03930	3.3
67.05507	3.3
69.03429	2.1
69.07061	1.0
69.58318	5.6
69.58726	1.9
71.01357	6.5
71.04985	1.3
77.03907	1.1
79.05494	14.1
81.03410	3.3
81.07063	1.1
83.05003	1.2
85.02909	2.4
91.05479	10.7
93.03419	1.0
93.07047	3.6
95.04972	9.0
95.08625	1.1
97.02895	1.4
97.06537	1.3
103.05461	24.5
105.07034	9.7
107.04955	72.0
107.08567	1.6
108.05271	1.6
109.02892	3.3
109.06529	2.0
111.04411	4.3
115.05447	6.4
116.11896	0.8
117.06980	1.6
118.04164	2.6
118.51299	0.9
119.04929	3.7
120.05735	2.0
121.06493	11.9
122.03645	1.6
123.04423	4.1
124.05209	1.8
125.05997	6.9
129.07040	1.1
131.04938	8.9
131.08524	1.5
133.02869	3.9
133.06502	4.9
134.67737	1.0
135.04405	12.1
135.08049	17.5
136.05209	1.1
137.05975	30.1
138.06703	4.1
141.05452	3.4
145.06473	1.8
145.10069	1.4
146.03604	2.8
147.04425	7.6
147.07985	1.4
148.05087	1.5
149.05980	17.0
150.05695	0.9
150.06763	5.6
151.03906	100.0
151.04993	6.4
151.07530	3.9
152.04213	4.6
153.04321	1.4
153.05472	13.0
156.87138	1.0
157.06453	1.1
161.05988	17.3
161.09598	4.5
163.03897	7.8
163.07541	96.0
164.07964	4.0
165.05510	6.5
166.06175	1.3
167.07059	11.0
174.06749	2.1
175.07538	3.2
177.05464	8.2
178.06241	24.7
179.07019	7.6
180.07678	1.1
181.08591	59.2
182.09329	6.6
189.05435	4.2
189.09076	13.0
191.07088	2.5
195.06529	16.5
195.08215	1.1
195.10252	1.3
196.07320	16.9
203.07140	1.0
207.08267	1.2
207.10172	15.2
215.10777	1.4
217.08620	2.3
235.09688	2.4
242.16122	1.0
249.08997	0.9
268.07196	1.1
283.09674	3.6
283.13071	1.9
285.11377	1.2
297.11185	1.8
311.12842	1.6
327.12375	5.3
329.13815	7.2
341.13849	1.7
347.14868	1.8
359.14786	6.4
377.16165	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	377.1594
Annotation	GGBCE
Peak:m/z	Relative Intensity
51.41600	1.0
53.03939	2.0
55.01873	4.6
55.05511	1.5
56.80325	1.2
57.03430	1.6
60.01109	1.2
65.03934	3.1
67.05505	2.8
68.91117	1.0
69.03439	1.6
69.07092	1.2
69.49480	8.8
71.01346	7.4
71.04993	3.8
79.05495	15.4
81.03430	2.0
81.07064	3.0
83.65327	1.2
85.02910	3.8
85.06574	1.8
91.05479	11.1
93.02831	1.5
93.03410	2.0
93.07043	3.6
94.04170	1.4
95.04970	9.1
98.21587	1.4
98.97602	4.5
99.16458	1.1
103.05466	29.3
105.07024	9.2
106.04182	1.8
107.04953	68.2
107.08601	1.6
109.02872	2.6
109.06517	2.1
109.10146	1.7
110.97550	1.4
111.04430	4.8
115.05458	5.4
116.98610	3.0
117.07034	2.5
119.04944	4.0
120.05734	2.0
121.06517	11.5
121.10155	1.4
122.03577	1.3
123.04419	6.1
124.05244	1.2
125.06000	5.2
131.04919	18.9
133.02853	6.2
133.06523	8.6
134.99687	2.4
135.04434	9.2
135.08054	16.7
137.05971	34.6
138.06705	5.2
141.05453	4.0
144.17297	1.2
146.03645	2.2
147.04413	8.4
148.05186	1.5
149.06001	17.0
150.06770	4.3
151.03908	100.0
151.04990	5.8
151.07559	4.5
152.04251	3.8
153.05484	15.0
157.06448	1.3
161.05969	21.8
161.09644	4.3
163.03883	7.6
163.07542	92.6
164.07903	2.5
165.05516	5.7
166.06096	1.5
167.07043	10.9
174.06752	1.8
175.07542	4.7
177.00717	2.3
177.05420	8.3
178.06264	25.4
179.07010	9.9
181.08592	60.6
182.09380	6.4
183.10011	1.2
189.05531	3.5
189.09128	9.0
191.07066	3.7
193.08630	3.3
195.06560	14.7
196.07298	14.9
203.06953	1.9
207.10117	13.8
209.08118	3.5
235.09740	4.7
281.08072	1.9
283.09729	4.9
313.10562	1.6
322.86499	1.5
327.12247	3.0
329.13965	8.4
331.15384	1.5
339.12341	4.2
341.14047	1.8
359.14972	6.6
377.14508	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1452
Annotation	Tuliposide D
Peak:m/z	Relative Intensity
52.69219	0.2
53.03946	1.4
55.01855	0.6
57.03434	6.5
58.06597	1.6
59.04976	0.8
61.02921	2.5
69.03426	11.8
69.83987	1.0
69.84396	0.5
70.06557	0.2
71.01348	1.8
71.04993	2.9
73.02912	1.8
75.04470	2.0
81.03413	3.1
87.04500	0.3
98.20814	0.3
99.04452	3.9
117.05476	1.1
137.05911	0.3
138.06360	0.3
145.07596	1.5
147.36044	0.2
151.03844	0.4
157.06277	0.4
157.07539	0.3
159.09171	0.5
163.03860	0.3
167.52786	0.2
170.07158	1.4
172.08693	24.2
173.08926	0.3
174.10287	0.7
175.08664	0.4
186.10201	0.3
190.09755	1.6
198.06619	4.4
200.08176	3.7
214.09758	0.7
216.07675	15.3
217.08011	0.4
218.09254	0.9
225.10301	0.3
229.08376	0.3
243.08763	63.8
244.07120	1.1
244.09229	1.2
272.72070	0.3
316.12930	0.5
359.13480	2.5
377.14529	100.0
378.14987	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	377.083
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.4
55.01853	2.1
56.96559	9.0
57.02570	1.1
57.03437	6.3
61.02917	7.6
69.03427	9.6
70.31731	2.3
71.04978	2.8
71.44160	0.9
73.02912	10.4
81.03400	3.1
84.04512	1.0
84.95984	1.3
85.02418	1.8
85.02901	23.6
86.03249	1.6
89.03934	2.3
91.03934	3.7
97.02880	11.0
98.97562	6.5
99.04439	2.4
101.00891	1.4
107.04954	2.2
109.02889	2.0
110.01294	1.4
111.02063	1.0
112.99123	1.2
115.03983	1.9
116.98634	4.1
117.03344	3.1
117.64513	1.0
119.01881	8.1
121.01685	2.3
121.06508	1.3
127.03914	10.2
128.98634	1.8
131.00153	4.2
131.01877	4.2
133.01740	1.3
133.03455	2.4
134.99629	4.1
135.03484	0.9
135.04375	5.6
137.02934	1.7
140.02328	2.0
143.00224	5.0
143.01932	1.1
145.01730	1.3
145.02684	1.9
145.03569	1.7
145.04942	4.9
146.99637	3.0
149.01208	4.2
149.02913	2.0
155.01842	2.1
157.03491	1.5
158.99628	2.7
161.01227	8.6
161.02921	4.2
162.99066	1.3
163.03894	31.1
164.04158	1.7
165.00809	1.7
169.03432	2.9
170.03380	1.3
170.99623	2.5
171.04953	1.4
173.02917	6.8
174.03185	1.7
175.02667	1.3
175.04468	2.4
177.00710	4.1
177.04158	1.3
178.04961	3.3
179.02190	2.5
181.03693	1.3
182.03357	1.4
183.05020	2.9
184.04939	4.4
185.01228	1.1
185.03036	1.3
186.99065	1.1
187.04529	2.3
188.97025	1.6
189.00711	4.0
189.02272	1.8
190.98610	1.2
191.03894	8.0
193.00247	1.6
193.05438	3.3
195.01497	1.3
197.02814	1.8
200.04381	7.8
201.00705	1.7
203.02209	3.2
203.03963	1.8
205.00188	2.4
206.04376	1.2
206.07024	1.7
206.98160	1.2
207.01669	1.4
209.05017	3.3
211.04678	1.9
213.02435	3.9
215.05325	5.6
217.00165	1.3
219.01724	4.6
221.03261	2.2
221.05122	2.5
225.02565	1.5
229.35997	1.0
231.01639	1.3
231.03598	1.5
235.00974	1.1
237.02873	1.9
239.04031	2.3
245.05095	2.7
246.05228	2.7
247.04973	1.4
248.99243	1.2
249.02763	3.3
255.57231	1.3
257.05087	1.3
258.05185	1.2
261.02664	1.3
263.06210	1.3
264.57916	1.8
265.07654	3.0
265.57938	1.0
267.03857	3.6
271.06656	2.2
272.06430	6.2
275.02524	3.6
275.06128	5.7
278.07666	1.1
279.03772	2.1
281.06882	5.3
285.04947	2.4
287.06223	2.4
289.05734	1.6
306.34381	1.1
309.05032	1.3
317.01944	2.2
317.07043	1.4
321.05289	1.0
335.02872	1.7
345.01337	1.5
359.07556	3.4
363.02414	3.5
367.08752	1.4
377.08444	100.0
378.08871	3.0
402.54587	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.3058
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	25.6
56.96555	19.6
57.07044	4.5
67.05508	74.1
69.07056	9.7
71.04997	43.0
71.08618	16.0
71.59929	4.9
71.60316	5.4
79.05515	20.6
80.26527	3.9
81.03385	4.0
81.07051	70.3
83.04951	5.1
83.08624	21.0
85.06535	5.5
91.05473	18.7
93.07054	32.6
95.04945	9.3
95.08624	22.5
97.10162	28.4
99.08098	13.7
105.07016	11.2
107.08593	36.3
109.10162	81.2
111.08094	5.3
119.04935	4.6
119.08564	14.2
121.10129	11.3
123.11701	14.6
125.09624	23.7
133.10081	8.3
135.11679	16.1
136.92680	3.8
137.13232	13.7
147.04433	21.1
148.04625	4.7
151.11176	6.3
153.12721	8.5
155.10684	13.6
155.14331	14.5
173.11737	100.0
178.90167	3.8
187.13303	90.8
203.12755	33.2
208.31001	4.2
239.02301	11.1
241.19705	5.1
257.03372	11.6
277.21689	33.6
291.23013	6.9
309.24283	15.5
377.22302	4.9
385.06015	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	376.3056
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79666	2.9
55.04851	3.5
55.05508	16.4
56.49891	3.0
56.96553	17.7
67.05170	4.8
67.05502	67.8
69.07049	8.5
71.04995	100.0
71.08631	18.6
71.60204	5.3
79.05077	3.5
79.05481	21.3
81.07052	72.7
83.08616	19.4
85.06538	10.2
91.05479	16.8
93.07035	34.2
94.07340	3.6
95.04973	6.0
95.08606	23.1
97.06539	4.5
97.10168	19.7
99.08083	17.7
105.07044	8.1
107.08592	34.3
109.06499	4.5
109.10152	64.7
111.08080	6.3
117.07050	3.7
119.04969	6.7
119.08569	7.5
121.06525	3.2
121.10128	6.3
123.11717	8.0
125.09646	17.7
131.08563	6.4
133.10136	7.7
135.08032	4.3
135.11688	22.8
137.09665	4.3
137.13280	4.4
145.10130	3.5
147.04420	20.7
148.04742	4.7
149.13219	8.0
151.11165	11.4
153.09125	3.8
153.12697	4.5
155.10686	9.4
155.14273	11.9
159.11703	24.5
161.13310	4.8
163.11110	5.6
171.10164	3.7
173.11739	80.5
177.12692	20.9
187.13303	54.2
188.13657	3.4
203.12816	24.1
209.15314	5.1
225.04535	3.5
231.10902	3.4
239.02286	11.9
241.17877	46.4
246.12334	3.5
257.03375	17.0
259.20572	5.1
277.21609	22.8
280.04733	5.3
286.00482	3.2
291.23148	4.6
309.24472	7.2
310.07236	3.3
353.21753	6.4
377.22873	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	376.233
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06599	2.6
66.31699	2.1
67.05495	3.6
69.03423	4.0
69.07056	8.1
69.92638	12.9
71.04958	3.8
79.05472	4.5
81.07037	8.8
83.08614	2.5
85.02882	7.9
86.09689	3.1
91.05485	4.8
93.07042	22.9
95.04939	2.6
95.08602	12.0
97.02887	2.7
97.06534	28.3
98.97574	5.5
103.05454	5.0
105.07022	6.9
107.04910	6.5
107.08601	25.0
109.10168	14.8
111.11687	2.4
116.98611	3.4
119.08568	2.8
120.08108	2.4
121.06485	3.4
131.04898	11.0
133.06490	4.9
135.11696	45.8
136.12059	2.2
137.05972	7.2
151.03889	15.9
153.12746	100.0
154.13049	2.6
157.06496	2.3
161.06027	10.8
163.07507	8.2
167.07021	2.2
171.13805	65.4
177.00739	3.0
177.05489	2.3
177.09117	4.2
178.09464	6.5
181.08627	4.4
193.08577	4.8
194.08914	2.8
203.02403	2.5
207.10046	3.1
219.01805	2.3
253.08583	3.3
259.78345	2.7
274.24316	2.0
281.07858	2.8
327.12064	3.1
339.12299	4.3
376.22931	4.1
377.11978	4.8
393.58066	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	376.2327
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28905	16.3
58.06612	23.8
64.82114	16.3
67.05477	15.5
69.03428	22.2
70.06580	30.6
71.04980	28.8
71.54962	37.4
79.05493	40.1
81.06998	30.4
85.02915	48.9
86.09681	31.6
93.07042	63.1
107.04951	23.6
107.08607	32.4
109.10143	61.9
123.11668	18.0
124.05222	22.6
133.10107	16.7
135.08145	20.1
135.11685	100.0
137.06012	81.6
151.03880	37.4
153.12776	30.1
157.90233	19.6
163.03880	61.3
163.07588	34.9
163.22678	17.2
164.63004	20.1
164.95064	18.9
167.06992	51.1
168.07368	20.2
172.06122	19.1
177.49667	15.8
214.14439	20.9
244.50797	23.6
376.22873	25.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.3
53.04529	0.5
55.01863	0.7
56.96561	4.4
57.03440	4.4
61.02906	2.1
69.03423	4.5
70.06592	0.7
70.46517	2.0
71.04987	1.2
71.14294	0.5
73.02915	12.6
76.23895	0.6
81.03422	1.6
81.84998	0.5
83.95712	0.5
84.08128	0.5
84.96047	0.8
85.02895	9.2
85.72128	0.5
87.04449	0.9
89.89656	0.5
91.03928	0.7
91.05469	4.1
93.07025	4.5
95.04945	1.4
97.02886	5.7
98.97579	4.6
99.04453	0.8
103.05463	3.0
107.04910	1.4
108.07998	0.6
109.02885	1.0
110.97538	1.2
112.99155	1.0
115.03918	1.5
116.98615	2.4
119.01864	1.4
119.04961	1.5
121.06501	100.0
121.52274	0.6
122.06809	1.3
122.76762	0.5
126.04265	0.5
127.03925	2.3
128.98599	1.7
131.00169	1.9
131.01875	0.9
133.03465	1.9
135.04443	1.1
136.06174	1.1
137.06039	1.3
138.09140	27.8
143.00169	0.9
143.01836	0.9
145.04964	1.4
146.79999	0.6
146.99654	1.6
147.03270	0.9
147.04321	0.7
149.01257	0.8
149.93828	0.6
151.07529	0.9
153.05391	0.7
158.99620	1.2
159.04987	0.9
161.01193	2.0
161.02875	1.3
161.04480	0.8
161.05609	1.6
163.03877	1.1
165.00723	0.7
170.05147	1.6
173.01289	0.8
173.02843	1.3
174.00746	1.0
175.02789	0.8
177.00751	1.9
177.06110	0.7
179.07033	0.7
184.19910	0.5
189.00766	1.1
191.02292	0.7
193.03717	0.6
196.09810	0.7
214.10728	0.5
219.01793	2.3
221.05029	1.8
223.36420	0.6
227.07010	1.2
231.07152	0.9
232.96359	0.9
235.05826	0.7
237.02769	3.6
238.37627	0.5
242.07545	1.3
245.05090	1.4
257.04938	1.1
274.97626	0.6
279.03830	0.6
308.09457	0.7
321.10654	3.9
339.09714	1.8
376.12341	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2377
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03625	1.0
53.03940	1.4
55.01866	4.4
55.05511	3.3
56.81144	1.0
56.96568	2.5
57.03424	1.4
57.07066	1.3
61.02896	1.3
61.44839	1.0
64.06599	1.0
65.03951	1.1
67.05489	3.4
69.03432	2.5
69.07070	9.0
69.25840	6.2
69.26267	5.8
71.05000	5.1
73.02918	16.9
73.63763	1.1
79.05505	5.5
81.03402	1.8
81.07059	10.8
83.08611	5.9
84.96059	1.5
85.02905	12.2
85.06536	1.9
89.03940	2.3
91.05470	8.5
91.39416	1.0
93.07048	10.3
95.04942	2.4
95.08607	20.0
97.02894	2.7
97.10157	3.7
98.97583	2.6
99.08092	7.7
103.05452	1.5
105.03419	2.1
105.07017	4.7
107.04956	4.0
107.08594	23.1
109.06521	2.6
109.10177	6.0
111.08078	5.5
113.09654	1.8
116.98571	1.9
117.03368	2.2
119.04954	9.6
119.08566	2.1
121.06482	2.9
121.10144	37.9
121.11025	1.9
122.03643	1.8
123.04422	1.7
123.11733	1.7
124.05255	1.5
125.09584	5.3
127.03930	1.6
131.04945	5.8
133.06493	3.5
135.04419	4.7
135.08081	1.6
135.11685	9.3
137.05978	45.1
137.13254	4.2
138.06316	1.2
143.04889	1.1
145.02834	2.4
146.03551	2.0
147.04388	4.7
149.05989	4.0
149.13252	2.6
151.03880	12.4
151.07545	7.6
153.07014	1.6
159.04352	1.2
161.05992	14.3
163.03912	21.2
163.07547	6.1
164.04166	1.3
165.07014	1.7
167.07022	12.6
169.32661	1.0
170.99586	1.1
175.07545	1.9
177.09146	5.1
177.16383	100.0
178.06262	1.4
178.16747	3.3
179.07039	3.8
180.07739	1.7
181.06462	1.6
181.08592	1.1
187.07495	1.6
189.05461	1.3
191.07043	3.0
193.06747	1.3
193.08583	4.3
195.17459	19.5
197.05933	1.2
203.07025	2.8
203.10568	1.5
208.05234	2.2
209.08055	1.3
210.06819	2.7
211.07440	1.1
213.09135	1.8
213.15047	2.2
213.18498	30.2
214.18852	2.3
219.01831	1.3
221.05939	2.3
222.06508	1.1
225.05499	1.4
225.09103	2.6
233.08025	1.8
237.00734	1.5
237.02824	4.3
237.05081	1.4
238.06339	2.0
240.07816	2.4
241.08551	2.3
247.07474	1.1
251.07074	1.2
253.08574	15.5
254.09090	2.4
255.04068	1.3
258.08890	1.9
265.08533	1.4
269.08017	1.2
270.08777	5.0
273.11121	5.7
279.06433	1.6
283.09680	1.9
285.11200	8.6
286.11609	1.6
295.09735	2.0
299.09116	3.6
311.09155	6.7
315.08670	4.1
325.10736	4.3
327.12329	1.3
339.12268	2.5
345.13400	5.0
357.13245	13.9
357.16949	1.8
358.13593	1.7
375.14413	11.7
376.14645	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2376
Annotation	Linarionoside A
Peak:m/z	Relative Intensity
53.03933	3.2
55.01867	4.2
55.05260	1.4
55.05507	17.5
57.03431	7.8
57.07064	4.2
59.04991	3.2
61.02925	10.1
67.05511	6.3
69.03426	30.9
69.07066	35.8
71.05000	8.6
73.02920	5.8
79.05465	4.4
81.03415	13.0
81.07053	25.1
83.04984	7.7
83.08627	7.9
85.02902	69.2
85.06078	1.2
85.06550	22.6
87.04465	6.4
91.03947	4.1
91.05462	2.6
93.07047	13.6
95.08605	36.9
95.16811	1.0
95.31449	1.0
96.08978	1.3
97.02884	22.5
97.06513	3.9
97.10172	9.1
99.04444	3.7
99.08091	22.6
105.07021	2.3
107.08598	23.4
109.02870	8.1
109.10153	15.3
111.08073	3.2
111.11713	5.6
113.09654	6.0
115.03931	1.6
119.08662	1.1
121.10137	28.7
123.11710	7.3
125.09608	7.0
125.40624	1.0
127.03914	16.7
127.11234	1.4
135.11693	17.4
137.05896	1.6
137.13258	18.8
139.11160	8.2
145.04945	14.2
149.13257	3.8
151.03835	1.8
151.14818	4.5
153.12732	12.0
167.07095	1.3
177.09076	2.1
177.16386	100.0
178.16743	5.1
195.17439	46.9
196.17874	2.8
213.18494	69.8
214.18854	3.6
229.61723	1.3
350.00864	1.2
358.15106	1.2
375.23837	12.5
376.24124	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2376
Annotation	Linarionoside A
Peak:m/z	Relative Intensity
55.01876	2.2
55.05499	4.1
57.03431	0.8
57.07087	1.4
59.06977	0.8
67.05505	2.8
69.03412	3.1
69.07062	7.0
70.75482	1.0
70.75814	2.3
71.04992	2.1
73.02908	1.0
79.05479	5.3
81.03417	2.2
81.07051	14.6
83.08609	6.3
85.02903	8.0
85.06536	3.4
86.03230	1.2
86.38217	0.8
88.15392	0.8
91.05467	3.9
93.07046	10.0
95.04942	1.6
95.08604	23.0
97.02840	1.7
97.06503	1.7
97.10175	4.1
99.08086	10.3
105.07025	3.3
107.04958	3.6
107.08595	24.1
109.06525	1.3
109.10145	8.2
111.08083	7.4
113.09684	1.3
119.08572	2.1
121.10143	41.6
122.10469	1.4
123.04410	1.6
123.08053	1.3
123.11703	2.6
125.05927	0.9
125.09624	4.7
127.03908	2.6
128.04166	1.3
129.06975	1.8
131.04897	1.2
133.06499	1.1
133.10083	1.3
135.11705	9.2
137.05988	11.1
137.13269	5.2
139.11128	1.3
141.05446	1.0
143.10654	2.2
145.04939	1.8
145.06491	1.5
147.04407	1.2
147.11668	1.0
149.13261	4.8
151.01466	0.8
151.03911	15.4
151.04996	0.9
157.06528	1.2
161.05989	2.9
163.03909	2.1
163.07515	1.4
167.07027	14.2
175.07562	2.4
177.09044	2.6
177.16382	100.0
178.16747	5.4
179.06903	1.3
189.09201	1.2
191.06967	1.7
195.17455	18.6
202.12325	1.0
203.07013	6.7
205.08559	1.8
213.18481	35.5
214.18875	1.2
221.08075	2.9
247.07355	0.9
253.08487	1.2
256.06833	2.5
295.09799	1.1
299.12756	1.2
303.23224	2.5
327.12137	2.6
330.10468	4.5
339.12350	2.3
357.13211	2.7
368.79526	0.9
375.07343	1.3
375.13907	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2374
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	2.2
55.05257	1.5
55.05506	6.0
57.03438	1.6
64.28313	1.4
67.05490	5.0
69.03406	4.3
69.07060	12.0
71.04973	4.3
71.59709	2.4
79.05482	5.6
81.03392	2.2
81.07051	15.5
83.08609	7.1
85.02903	11.2
85.04355	1.4
85.06534	3.1
85.80101	1.4
87.04425	1.6
91.05482	3.6
93.07045	10.5
95.04977	2.7
95.08604	25.7
97.02872	2.5
97.10129	3.4
99.04456	1.9
99.08105	13.2
105.07017	3.8
107.04916	2.4
107.08588	31.0
109.02841	1.9
109.06496	1.7
109.10143	9.5
111.04454	1.7
111.08092	7.6
113.09626	3.1
117.07005	2.3
119.04983	1.8
119.08574	2.1
121.10133	42.8
121.77261	1.7
123.11623	2.3
125.09621	6.7
129.06906	2.1
131.04889	3.4
133.10197	2.0
135.11682	10.8
137.05971	10.4
137.13232	4.6
149.13306	2.8
151.03900	23.3
151.05038	1.7
153.05453	5.3
157.06485	2.3
161.06032	2.5
163.03860	2.0
167.07024	12.2
175.07504	2.6
177.09151	9.5
177.16382	100.0
178.16728	4.1
191.06978	2.5
193.08592	4.5
195.10077	1.9
195.17444	24.3
203.06985	5.1
205.08594	4.3
213.18500	36.4
221.08047	1.6
286.08386	2.5
295.09592	1.9
339.12152	3.2
357.13327	5.4
375.14426	3.0
375.18533	14.0
394.07141	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1802
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53936	0.4
53.03923	0.5
55.01854	1.3
55.05511	0.4
57.03420	0.4
62.06078	1.5
62.63902	0.3
65.03928	0.8
67.05498	1.2
69.03421	0.8
69.07064	0.5
71.04977	0.7
71.53565	0.6
78.04662	0.5
79.05490	2.7
81.03421	2.0
81.07040	1.6
85.02887	1.2
91.05471	4.2
93.07054	1.9
95.04968	0.8
95.08588	1.5
97.02847	0.8
103.05476	1.9
104.06283	0.5
105.03387	0.6
105.07018	9.1
106.04170	0.5
107.04935	1.4
107.08588	1.2
109.02869	0.6
109.06493	0.9
109.10140	2.5
110.10500	0.7
111.04412	0.7
115.05425	2.4
117.07001	3.0
118.04106	0.7
119.04948	3.3
119.08535	0.7
121.06486	1.6
121.10150	0.8
122.03643	0.5
123.04425	1.2
123.08073	2.4
123.11703	0.7
124.05195	0.7
124.11954	0.4
127.03901	0.9
128.06174	0.8
129.06926	0.6
131.04900	1.3
132.05688	0.4
133.06482	8.2
133.10072	0.7
134.07103	0.3
134.10460	0.5
135.04367	0.6
135.08043	1.4
137.05977	4.4
137.09584	0.5
137.13275	0.5
138.09956	0.4
139.03894	0.4
141.05453	0.6
143.06013	0.5
143.08502	0.6
145.06456	1.4
147.04398	1.1
147.08066	0.4
147.97600	0.4
149.05991	0.7
149.09607	0.7
151.03896	7.7
151.04985	0.5
151.07524	10.4
152.04614	0.5
153.05434	0.9
157.06516	0.7
160.05179	0.8
161.05975	8.2
162.06773	2.4
163.07480	0.7
165.05579	0.5
165.06995	0.7
167.07034	16.6
168.07361	0.4
171.08028	0.9
175.07516	2.7
175.14836	0.5
177.09096	100.0
177.16373	1.0
178.06241	1.0
178.09444	4.2
179.06970	1.2
181.04932	0.5
187.03998	0.6
187.07471	0.5
189.09100	0.7
191.06932	0.5
193.08591	41.2
194.08900	1.5
195.06514	0.4
195.10144	7.7
197.05933	0.4
203.06996	1.5
203.10684	1.2
205.08582	0.9
211.07520	0.7
211.16910	1.5
212.16339	1.8
213.16661	3.9
221.11714	8.9
227.07039	0.5
230.05640	0.4
238.06277	0.6
239.06880	0.4
243.10069	0.8
253.08537	1.1
255.06683	0.4
269.07935	0.8
271.09631	2.3
281.08066	0.6
297.07373	0.5
297.27176	0.4
298.08051	0.5
299.12704	0.4
313.10641	3.8
314.11087	0.6
325.10776	0.7
327.12158	1.1
329.13766	0.5
339.12253	1.0
350.12070	0.3
357.13257	1.2
375.14355	2.8
375.21982	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1801
Annotation	CHEBI:68167
Peak:m/z	Relative Intensity
51.53390	0.5
51.70683	0.6
58.35600	0.5
62.40441	0.6
65.03928	1.1
65.06745	0.6
67.05492	0.6
71.60350	1.4
76.58899	0.6
79.05492	0.7
79.64580	0.6
79.90366	0.6
81.07040	1.4
91.04964	1.0
91.05484	12.2
92.05825	0.7
92.71628	0.6
93.07064	2.8
95.08591	0.9
95.57631	0.5
105.07034	11.4
107.08595	13.1
109.06544	0.8
109.10171	1.2
119.04945	23.2
123.11620	0.7
133.10147	7.9
135.11681	1.5
147.04411	100.0
148.04778	2.9
151.11151	3.3
163.03909	2.7
165.05460	1.6
193.12224	5.2
210.56976	0.6
260.91034	0.6
297.14886	1.8
320.99860	0.5
333.07028	0.6
357.16977	1.4
375.01392	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1802
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	0.4
55.05482	0.3
66.11903	0.3
67.05495	0.5
68.98175	0.3
69.03402	0.9
69.86204	0.3
70.91798	0.7
70.92160	0.8
73.73843	0.3
78.04690	0.5
79.05501	2.3
81.07032	0.6
91.05463	2.1
92.01287	0.4
93.07042	0.7
95.04930	0.7
103.05466	0.8
105.06384	0.7
105.07026	8.1
107.04962	1.0
107.08563	0.9
108.05737	0.6
115.05446	2.1
117.06998	2.7
118.04148	0.6
119.04934	1.4
121.02844	0.4
121.06486	1.7
123.04401	0.9
123.08044	2.3
124.05247	0.4
131.05029	0.5
132.05679	0.6
132.91612	0.3
133.06490	8.6
135.04373	0.4
135.08043	0.9
135.60390	0.4
136.05165	0.4
137.05957	0.9
143.08524	1.1
145.06462	1.3
146.59081	0.4
147.08090	0.4
149.05984	0.7
149.09612	1.3
151.03845	1.0
151.07539	8.7
153.06958	0.6
160.05226	0.7
161.05968	7.6
162.06801	2.6
167.07031	13.6
171.08063	0.9
175.07521	2.4
177.09093	100.0
178.06171	0.4
178.09431	3.5
193.08595	42.1
194.08888	1.3
195.10179	5.6
203.10724	1.1
221.11705	9.0
222.12115	0.4
229.12265	0.5
253.08752	0.8
287.55511	0.4
329.13669	0.6
375.14072	0.6
376.17789	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.144
Annotation	Isohydroxymatairesinol
Peak:m/z	Relative Intensity
55.01870	13.0
55.05503	4.3
65.03928	4.5
67.05511	4.1
69.03424	3.4
69.07051	7.2
69.45194	15.4
71.01341	2.5
71.04996	2.6
73.02916	62.9
75.42827	1.5
79.05480	5.3
81.03426	3.3
81.07067	8.5
83.04990	2.1
83.08610	4.2
85.02911	9.0
91.03934	2.0
91.05483	27.4
93.07060	9.7
95.04947	6.3
95.08597	16.8
97.10165	2.3
99.08074	6.7
102.57702	1.7
103.05486	5.4
105.03406	8.1
105.07053	8.8
107.04961	8.4
107.08595	12.7
109.02879	1.9
109.06505	8.3
109.10162	3.0
111.04443	4.2
111.08088	4.1
115.05450	3.2
117.07031	1.7
119.04939	40.5
121.06492	6.5
121.10145	27.2
122.03657	5.2
123.04436	4.3
123.08047	3.8
124.05219	5.0
125.05965	3.5
125.09621	4.7
129.06987	1.7
131.04950	8.4
131.05817	1.7
133.02831	1.8
133.06488	9.2
135.04411	3.9
135.08047	3.7
135.11687	6.0
136.05240	2.5
137.05974	100.0
137.13269	2.1
138.06270	1.9
141.05476	3.0
143.04877	2.1
145.06435	3.0
146.03625	4.9
147.04381	16.3
149.05991	14.1
150.06763	3.8
151.03917	52.1
151.05081	4.6
151.07532	33.8
152.06131	3.0
153.05463	6.4
153.07016	5.6
157.06439	3.1
161.05983	51.8
163.03909	11.0
163.07544	16.5
165.05484	4.8
165.06956	7.2
167.07091	17.7
167.08435	4.0
169.06462	2.6
174.59673	1.7
175.07562	7.1
177.05461	2.8
177.09111	19.9
177.16388	64.8
178.06271	10.2
179.07053	18.2
179.08507	3.4
180.05699	4.9
180.07738	3.5
181.06496	9.5
182.07231	4.0
187.07573	3.8
189.05476	4.6
191.05467	1.9
191.06993	11.5
193.06693	2.4
193.08597	8.9
194.07271	5.8
195.06493	2.7
195.08086	3.6
195.17462	13.5
196.05328	1.7
196.07269	8.4
197.06012	3.8
197.09782	1.8
198.06856	2.2
203.07057	5.0
205.06642	2.1
205.08675	2.5
207.04442	1.7
208.05194	7.4
209.06059	3.7
209.08075	5.4
210.06793	11.5
211.07457	8.7
212.08344	2.4
213.09035	8.5
213.14771	1.8
213.18474	25.9
215.07082	2.3
219.07962	2.3
221.06111	8.0
221.08022	3.4
222.06755	6.6
223.07489	4.6
224.08324	2.1
225.05461	3.9
225.09082	18.3
227.06967	2.9
233.08096	6.3
235.07544	2.4
236.04677	5.9
237.05507	2.4
238.06210	5.2
239.07091	3.6
240.07716	9.7
241.08672	6.1
251.07040	6.0
252.07828	3.3
253.04764	2.9
253.08595	67.8
254.09128	2.4
256.07343	2.1
258.08890	7.4
263.07059	2.2
264.07782	1.9
265.08533	3.1
267.10089	2.0
268.07260	7.9
269.08011	5.0
270.08826	24.7
273.11191	29.3
277.08685	2.7
279.06552	7.1
279.09952	3.6
281.08267	2.2
283.09604	6.6
284.10324	4.9
285.11215	45.1
295.09769	5.0
297.11215	4.4
299.05984	2.7
299.09076	13.3
300.06320	2.7
309.11023	2.6
311.09219	29.6
311.12564	3.1
315.08673	18.2
325.10684	22.0
327.12238	6.3
329.10199	3.2
339.12292	10.3
345.13339	24.4
357.13327	69.1
375.14380	43.3
375.18912	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1438
Annotation	Vladinol D
Peak:m/z	Relative Intensity
52.03135	0.4
53.03934	1.3
55.01864	2.4
57.03416	0.4
58.06581	0.4
61.02921	0.6
64.78197	0.3
65.03933	1.6
67.05492	1.7
68.99776	0.4
69.03416	1.9
69.74944	2.7
70.03752	0.6
72.08146	0.6
73.02899	0.6
79.05492	0.9
81.03412	9.2
81.07061	1.2
85.02424	0.5
85.02906	6.9
86.03229	1.7
86.09692	1.1
87.00834	1.1
87.10014	0.4
90.33675	0.4
91.05470	5.4
92.05806	2.6
93.03424	0.7
93.07038	0.4
94.04178	0.9
95.04954	2.3
97.02869	1.2
99.04449	1.0
101.53496	0.3
103.05457	1.0
105.01845	0.9
105.07025	0.5
107.04973	1.2
108.02089	1.5
109.02872	2.4
109.06509	1.7
110.03220	0.6
111.04439	2.7
112.01653	0.4
115.05455	3.1
117.06995	1.1
121.06499	0.6
122.03619	2.2
125.05964	1.2
127.03920	4.0
128.04245	1.7
128.06221	2.8
129.01866	0.6
129.07002	8.5
131.04918	1.4
132.05598	0.3
135.04427	0.6
136.01556	0.7
137.05971	43.3
138.06317	0.6
141.05441	4.3
143.04922	3.8
144.05684	0.6
145.04964	1.6
145.06480	1.4
146.03609	0.6
146.05399	0.8
147.04408	0.7
147.08070	2.3
148.04024	0.5
149.06020	0.9
151.03900	100.0
151.04991	7.2
152.04242	1.5
153.05467	3.4
157.06490	9.3
158.07057	0.5
159.03006	0.4
159.04327	0.6
160.05173	1.7
161.05972	3.2
161.09650	1.1
163.03932	0.6
163.07556	1.0
165.05473	2.1
166.95406	0.4
167.07031	0.8
171.04410	4.5
172.05220	0.5
174.06844	1.1
175.07559	5.2
176.04709	1.0
177.05499	0.5
177.09091	0.7
179.07092	0.5
181.04849	0.4
184.20671	0.4
186.45366	0.4
187.07533	1.3
188.04701	0.9
189.09090	9.7
190.07780	0.4
191.07010	7.4
191.08513	0.5
193.04971	0.6
203.07021	20.7
204.07462	0.7
205.08606	6.5
214.04216	0.5
215.06996	1.4
218.07161	0.7
219.08072	1.6
221.08086	7.3
231.04980	1.4
232.05441	1.7
233.08015	4.8
234.06772	0.7
235.07573	1.1
243.06543	0.6
246.06693	0.5
247.07495	1.6
249.06088	0.9
249.09164	0.4
250.06387	1.1
261.09198	1.1
263.07053	1.0
264.07803	0.9
265.08517	0.5
267.10251	0.7
269.08075	0.6
271.06033	0.5
277.08612	1.3
278.09277	0.9
279.10159	1.5
285.07593	0.7
286.08289	2.5
289.08578	0.8
295.09686	2.1
297.11261	1.1
301.11780	0.4
307.09637	3.5
308.10297	0.8
308.55191	0.4
309.11258	1.4
311.09506	0.4
311.12762	1.9
312.10025	1.0
321.11166	4.2
324.09915	0.6
326.11386	0.4
327.12283	9.1
339.12219	7.3
345.13510	1.2
357.13293	7.9
375.14438	2.0
375.31952	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.0922
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.6
55.01868	2.6
57.03426	0.9
59.04997	0.2
59.06117	0.4
61.02914	0.8
64.89436	0.2
67.01864	0.2
68.99777	0.5
69.03079	0.3
69.03429	4.3
70.06573	0.5
71.04987	0.7
71.51264	0.3
72.08143	0.9
73.02919	1.4
81.03418	2.4
81.07036	0.5
84.04507	0.2
84.08138	0.3
85.02901	16.2
85.07668	0.3
86.09695	0.8
87.00824	2.8
87.05629	0.2
89.03963	0.2
91.03931	0.5
93.07053	0.3
97.02891	2.3
98.97575	0.3
99.04465	2.6
103.03993	0.2
105.01848	2.0
105.11455	0.2
106.16370	0.2
107.04932	0.3
109.02866	3.3
117.01860	0.5
123.04431	0.4
123.11707	0.6
124.03941	0.3
127.03910	100.0
128.04243	0.8
129.01836	0.8
130.06494	0.2
131.04901	0.3
137.05969	0.8
139.03900	0.5
145.04956	3.3
146.99709	0.3
147.02878	0.6
149.05963	0.2
151.03941	0.3
159.02890	1.9
161.05939	0.2
163.03973	0.4
165.05499	0.3
167.07109	0.2
171.11320	0.2
173.12918	0.3
177.00725	0.2
178.05859	0.3
196.06934	0.2
209.03731	0.2
211.07339	0.2
213.04076	0.2
231.05005	0.9
237.03050	0.3
269.08612	0.3
375.15829	1.1
375.65216	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2902
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	31.7
56.81639	6.7
56.96571	6.9
59.05007	11.3
67.05505	73.2
69.07072	28.3
71.04990	100.0
71.58547	13.8
79.05492	45.9
81.07056	75.3
82.53963	9.7
83.04979	11.0
83.08620	19.1
85.06530	16.9
91.05465	42.8
93.07030	57.8
94.32023	8.7
95.04988	9.1
95.08600	44.3
97.06550	15.9
97.10183	23.2
105.07019	32.7
107.08596	64.2
109.06538	12.1
109.10154	65.8
111.08111	8.8
119.04929	15.0
119.08585	21.9
121.10138	17.2
125.09618	29.4
130.63835	6.8
131.08556	18.4
133.10104	19.8
135.08052	11.6
135.11699	31.6
145.10085	11.5
145.37920	8.4
147.04407	46.7
147.11685	14.1
149.09651	15.0
155.10686	10.9
159.11700	25.0
173.11751	80.5
173.13051	12.9
177.12759	19.8
187.13284	55.6
196.49327	7.4
200.00606	7.9
203.12762	29.3
209.15363	11.5
211.83008	8.1
223.04416	8.2
229.38689	7.3
241.17960	63.3
257.19034	21.8
275.20084	49.4
289.21576	21.8
351.18341	22.8
374.32538	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	375.0921
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.9
55.01855	0.6
57.03426	0.5
61.02926	0.4
62.49818	0.1
68.99753	0.2
69.03426	2.3
69.84417	1.0
71.04972	0.3
72.08149	0.5
73.02902	0.7
79.05443	0.2
81.03409	2.8
82.02948	0.2
85.02903	4.7
86.09701	0.5
87.00824	1.6
89.54431	0.1
91.03924	0.2
91.05418	0.2
93.07050	0.2
95.04976	0.2
97.02888	1.7
98.97562	0.2
99.04452	0.7
105.01862	1.1
107.08562	0.2
109.02873	2.7
109.10134	0.2
116.98595	0.2
117.01881	0.2
123.04462	0.2
127.03908	100.0
128.04233	1.2
129.01814	0.3
135.04416	0.5
136.88120	0.1
137.05963	0.7
145.02831	0.2
145.04926	1.1
147.02895	0.2
147.04381	0.3
149.09612	0.2
151.03949	0.3
153.05493	0.3
159.02870	1.6
161.01234	0.2
161.75374	0.2
163.03893	1.3
164.04263	0.4
200.05087	0.3
202.06798	0.2
209.05682	0.3
231.04996	0.5
276.10999	0.2
285.11676	0.1
305.80527	0.2
375.09033	0.2
375.15781	0.3
377.48871	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	374.29
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	9.8
55.05497	22.7
57.03439	8.8
60.39375	6.7
67.05498	80.5
69.07060	20.7
71.04990	45.4
71.59870	12.4
79.05489	56.5
81.07054	91.0
83.04949	7.1
83.08614	13.9
91.05482	56.0
93.07043	76.5
93.78108	7.2
95.04973	8.7
95.08597	46.0
97.06519	20.4
97.10158	20.0
101.05957	10.1
105.07053	36.7
107.08579	100.0
109.06509	12.3
109.10155	47.3
111.08079	10.9
113.09637	7.5
117.07024	20.2
119.04911	19.0
119.08573	41.1
121.06513	6.2
121.10129	32.5
123.11720	14.0
125.09666	16.2
131.08539	28.9
133.10149	32.1
134.06004	61.0
135.08029	12.5
135.11684	38.9
135.43149	7.1
136.07520	7.7
137.09627	14.4
145.10109	14.2
147.04414	73.2
147.11696	20.7
149.05922	7.6
151.11157	19.7
157.10150	8.9
159.11621	12.2
163.03877	6.5
165.12735	10.4
173.11769	51.6
173.13225	11.8
175.14983	7.3
177.12804	11.6
187.13280	56.6
195.13799	26.4
199.14771	15.7
202.37979	6.9
203.12715	18.8
204.06509	12.3
217.15894	18.6
219.17400	10.9
222.07562	13.4
227.16458	36.9
249.18565	23.6
257.18997	15.7
275.20053	60.7
281.21005	20.8
289.21579	20.5
294.00220	6.9
307.22745	17.0
321.24207	12.4
374.19577	12.6
374.26669	8.2
374.32239	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	374.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49544	0.3
56.05035	0.7
58.06599	100.0
59.06936	0.6
65.82932	0.3
69.03442	0.5
70.72277	0.7
72.08166	1.6
75.62463	0.3
79.00495	0.3
84.04543	0.3
84.08145	0.4
85.02925	0.9
86.09711	2.2
88.21593	0.3
90.36387	0.3
91.05482	0.5
93.07001	0.4
97.02909	0.5
105.07060	0.6
107.04977	0.8
107.08628	0.5
108.08158	0.3
110.46420	0.3
120.08173	0.5
133.10152	0.4
133.13394	0.3
135.11710	0.7
136.11237	0.3
137.06044	0.9
144.06593	0.5
145.03043	0.3
151.03934	0.3
153.05504	0.5
159.75658	0.3
161.06082	0.4
162.07687	0.7
163.07587	0.5
167.07018	1.6
168.07799	1.8
177.05531	1.3
183.10225	0.9
185.16537	0.4
193.06647	0.4
194.15514	1.1
195.06621	0.8
197.06161	0.3
211.07635	0.5
211.09599	0.5
212.10420	2.8
212.16475	0.4
213.15991	0.4
214.56265	0.3
217.48996	0.3
220.08664	0.4
221.06079	0.5
222.85448	0.3
235.07637	0.7
238.06154	0.5
241.08482	0.4
243.06487	0.5
251.07164	0.6
253.08780	1.3
263.07040	0.5
265.08725	0.9
267.10519	0.4
269.08228	0.9
281.08218	1.4
283.09607	0.5
285.11151	0.4
296.10440	1.6
326.13803	0.5
327.14761	1.2
329.10297	0.4
329.13879	0.4
341.16211	35.0
342.13132	0.4
342.16803	1.3
356.15070	1.2
374.15857	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	374.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25046	1.5
53.37259	1.6
55.01875	1.8
56.60249	1.5
57.03435	3.7
58.06601	93.0
61.02914	3.9
67.05504	14.9
69.03439	14.4
69.07051	2.7
70.06580	2.4
71.17773	2.3
71.18091	2.1
74.06097	2.6
75.04472	4.3
79.05502	4.7
81.03416	6.3
81.07056	6.2
84.04479	1.9
85.02909	32.2
86.09704	3.8
87.04456	1.8
91.05491	12.7
93.07041	15.8
95.04980	2.2
95.08617	15.5
97.02885	6.2
99.04444	2.8
102.05550	3.0
105.07039	6.6
107.04971	2.8
107.08589	24.1
108.08131	19.1
109.02895	4.1
109.06509	15.7
109.10160	24.9
110.06068	2.3
116.72965	1.7
119.08601	4.5
121.06504	25.8
121.10167	8.4
122.06071	2.3
123.11719	2.7
124.07606	6.7
126.05543	3.0
127.03928	12.2
131.08562	4.2
133.10130	10.4
135.11713	4.9
137.05994	13.0
137.09637	7.5
139.03882	2.5
145.04974	7.0
149.09621	100.0
150.09996	2.4
150.12790	6.7
151.11220	13.9
153.12762	16.6
154.51068	1.7
157.04977	2.6
163.06088	2.3
166.12233	2.1
166.15173	2.0
167.07040	2.6
167.10675	10.4
169.12306	3.0
176.10773	2.0
176.14372	6.3
178.15927	3.9
186.07686	2.6
194.11745	2.0
194.15398	51.9
194.17072	3.4
195.15759	1.7
196.07074	1.6
204.08688	16.3
204.10258	2.1
212.12895	9.0
212.16428	33.8
222.09848	2.5
231.04982	6.8
298.44553	1.7
341.16177	32.7
356.20715	8.8
371.52255	1.7
374.16754	9.8
374.21799	66.9
375.21960	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.1
55.05480	1.1
57.03409	1.2
58.06576	1.6
60.88560	0.9
61.02885	2.5
62.46772	1.1
66.49984	0.8
69.03419	6.0
69.39196	0.8
69.65334	6.5
70.06554	2.8
71.04957	1.4
72.08121	2.2
72.13226	0.8
72.73042	0.8
72.81804	0.8
73.02883	0.8
78.37831	0.8
79.05460	0.9
81.03371	2.3
81.07022	1.6
81.26401	0.8
84.08108	1.4
85.02436	1.3
85.02902	18.7
86.09670	2.5
87.04447	1.6
89.03886	2.3
91.03951	1.2
91.05453	2.5
93.07021	2.3
95.04979	0.9
96.27519	0.9
97.02896	5.1
105.07020	1.0
107.04930	1.1
107.08546	2.6
109.02842	2.4
109.10124	2.0
117.03365	10.1
121.10109	1.3
123.04366	1.3
123.11642	1.5
126.13262	0.9
127.03918	4.1
127.92133	0.9
131.08524	1.2
133.10081	2.8
134.03586	1.6
135.04422	1.4
135.08043	1.1
135.11647	1.4
137.05936	2.8
145.02841	34.1
145.04884	4.5
149.05984	5.2
149.06940	0.8
151.03885	0.9
151.11096	2.3
153.12685	1.0
158.05894	0.9
162.03079	0.9
163.03897	4.9
163.06030	1.0
163.07486	0.9
164.07872	1.2
167.06932	1.2
171.11198	0.9
177.05463	100.0
178.05705	1.7
180.08588	3.0
186.07454	0.9
194.15433	4.9
195.06520	65.5
196.06798	1.1
212.16364	5.1
288.56204	0.9
353.96771	1.1
374.18378	31.8
375.06772	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.7
55.01872	13.5
57.03443	4.0
58.06592	2.0
61.02929	4.9
65.03947	1.5
68.99789	3.2
69.03423	28.9
71.03915	2.6
71.04236	1.4
71.05009	3.7
72.63005	1.3
73.02914	7.1
74.95120	1.6
75.34074	1.4
81.03409	16.8
83.01370	1.3
84.04502	2.3
85.02900	100.0
86.09705	6.6
87.00827	15.0
91.05476	74.7
92.05845	2.6
97.02886	15.3
99.04440	18.3
103.03983	1.5
105.01868	11.8
105.07034	1.6
107.86958	1.4
109.02866	28.1
117.01872	1.3
117.05463	1.3
119.42087	1.3
127.03910	71.7
128.06245	2.3
129.01820	6.7
129.07014	1.8
133.06511	1.6
137.05989	3.2
145.04950	44.6
145.06645	2.3
147.02873	6.7
151.03937	5.1
151.31622	1.3
156.24266	1.5
157.06532	1.5
159.02866	8.4
171.87285	1.3
175.07523	2.2
178.42838	1.3
181.06432	2.3
183.03006	2.0
189.04022	4.1
199.07620	3.8
204.97603	1.5
213.03946	6.7
215.13896	3.6
222.78467	1.7
231.04982	37.3
231.07162	2.3
243.13489	2.8
248.07758	2.8
249.06029	26.1
309.54587	1.5
339.10565	2.3
374.14288	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2219
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68743	0.6
51.31627	0.7
53.03941	0.9
55.01881	0.6
55.05508	1.9
57.03430	1.1
57.07063	1.2
58.06594	1.1
60.05209	0.6
61.02917	2.0
66.97836	0.9
67.05497	2.4
69.03419	2.9
69.07075	3.7
71.04979	1.9
71.55143	0.9
72.08154	0.6
73.02895	1.5
79.05481	2.5
81.03410	2.0
81.07057	11.8
83.08635	0.9
85.02905	11.9
85.06525	0.9
91.05479	5.1
92.21137	0.6
93.07037	8.0
95.04964	1.6
95.08043	1.1
95.08607	12.9
97.02883	2.7
97.06518	0.7
99.08089	4.2
103.05458	1.7
105.06314	0.9
105.07023	13.8
107.04929	1.8
107.08597	9.0
109.02845	1.1
109.06485	0.8
109.10162	4.7
113.09624	2.8
115.05428	1.1
116.77534	0.6
117.03386	1.0
117.07005	0.7
118.04110	0.8
119.04922	0.7
119.08580	42.8
121.06506	1.4
121.10102	2.2
123.08102	1.6
123.11698	2.9
127.03909	1.9
131.04910	2.1
131.08589	1.4
133.06483	1.2
133.10127	55.4
134.10458	1.9
135.11688	13.6
136.05231	1.1
137.05960	4.0
137.09558	1.3
145.04976	2.4
145.06401	0.6
145.10063	0.7
147.11681	2.9
149.02347	5.9
149.05954	2.4
150.06761	1.2
150.60197	0.6
151.03935	5.6
151.07515	1.4
152.08333	3.5
161.05989	1.6
163.03903	1.2
163.07542	2.9
165.09128	1.2
167.07056	1.9
170.48248	0.7
173.13280	1.0
175.14822	100.0
176.15149	3.0
177.05515	3.1
183.08055	0.8
191.06999	1.1
193.08623	4.5
193.15872	11.3
195.06471	1.9
211.09622	3.8
211.16946	6.6
250.06192	0.7
251.15958	0.7
263.38907	0.7
265.08783	0.8
269.08200	1.0
295.09540	1.1
341.13705	8.4
342.13916	1.0
355.11713	0.8
373.13474	2.0
373.18213	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	373.222
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31502	1.1
55.05506	1.9
56.46059	1.3
65.16441	1.2
67.05490	4.4
69.03410	3.1
69.07053	3.6
69.29374	10.0
69.29799	4.3
71.04999	1.7
71.12132	1.1
81.03410	1.5
81.07047	4.7
83.08595	2.9
85.02892	12.1
85.06541	2.2
91.05429	1.8
93.07030	3.9
95.08619	10.2
97.02878	3.7
97.06535	1.6
105.07018	3.6
107.04977	1.4
107.08611	6.9
109.02873	2.6
109.06507	2.8
109.10147	20.8
111.08070	10.3
119.08587	9.2
121.10152	7.3
123.08073	7.4
123.11703	5.4
125.09610	3.0
127.03893	1.9
133.10112	10.6
135.11685	14.2
137.09608	25.5
137.76495	1.3
145.04878	1.5
149.13242	5.0
151.14767	2.4
165.12753	3.7
165.16388	1.4
167.07031	3.2
175.14824	17.4
191.07036	1.9
193.08609	1.6
193.15852	18.9
211.16922	100.0
212.17058	2.2
267.09354	1.8
272.81824	1.3
291.19867	1.3
295.12433	1.5
304.46472	1.3
341.12836	8.2
364.93066	1.4
373.15900	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	373.1831
Annotation	Unknow
Peak:m/z	Relative Intensity
59.75455	0.3
69.58331	2.0
83.40314	0.2
85.02898	0.4
97.43696	0.3
107.08507	0.3
118.76167	0.3
126.72540	0.3
373.18314	100.0
374.18539	2.3
386.35321	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2217
Annotation	Byzantionoside B
Peak:m/z	Relative Intensity
53.03955	0.8
55.05500	5.5
57.07068	1.8
59.05000	2.0
61.02925	1.5
63.30503	0.8
67.05504	13.3
69.03424	6.9
69.07066	11.1
70.22105	1.8
70.22503	1.9
71.04990	2.6
77.54489	0.8
79.05486	2.8
80.90934	0.7
81.03417	1.0
81.07048	18.8
83.04978	7.8
83.08620	5.4
85.02906	8.3
85.06533	2.7
86.30882	0.8
91.03952	0.7
91.05497	2.5
93.07038	8.3
95.04958	1.4
95.08600	31.3
97.02897	2.0
97.10187	2.5
99.04498	1.1
99.08064	3.8
105.07038	6.2
107.08593	22.0
109.02819	1.2
109.06509	9.2
109.10150	99.1
110.10490	1.8
111.08096	3.9
113.09636	2.1
119.08575	37.8
120.08902	1.2
121.10129	13.1
123.08061	12.7
123.08932	1.1
123.11698	9.0
125.09637	1.3
133.10121	21.3
134.10458	0.8
135.11682	100.0
136.12012	1.6
137.05930	1.1
137.09616	14.2
139.11186	1.5
145.05014	1.1
147.11702	1.2
149.13251	6.3
151.11182	8.4
151.14793	10.8
153.12740	1.9
165.16428	2.7
175.14815	46.1
176.15170	0.8
193.15878	67.8
194.16206	2.6
207.74753	0.7
211.16917	66.0
212.17314	1.1
264.19745	0.8
331.91919	0.8
389.00592	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1831
Annotation	17beta-(Acetylthio)estra-1,3,5(10)-trien-3-ol acetate
Peak:m/z	Relative Intensity
57.01136	0.3
71.58197	0.6
82.04415	0.3
90.12451	0.3
95.11681	0.3
99.89990	0.3
193.11978	0.8
199.29416	0.3
203.05257	5.4
205.01968	0.3
211.13068	0.8
284.80682	0.3
373.18307	100.0
374.18665	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	373.1646
Annotation	5-O-Methyl-8-prenylafzelechin-4beta-ol
Peak:m/z	Relative Intensity
53.03936	0.6
56.74206	0.4
65.03935	0.4
67.05508	0.6
69.03419	1.2
70.66666	0.7
79.05495	5.0
81.07040	1.3
91.05485	5.3
93.07045	12.3
93.34239	0.5
95.04964	1.3
95.08594	1.4
103.05492	1.0
105.07031	13.3
106.07846	0.7
107.04980	2.2
107.08591	2.9
109.06536	4.4
109.10179	2.3
114.52537	0.4
119.04952	3.2
119.08571	2.2
121.06521	9.0
121.10144	100.0
122.10493	1.5
123.08081	3.7
125.05965	2.4
131.08530	1.0
133.07640	1.2
134.75731	0.5
135.11722	0.8
139.11195	5.3
147.04414	15.0
149.09619	32.1
153.12755	6.8
165.05490	1.5
167.10699	3.9
181.12224	4.8
204.79272	0.4
209.11664	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	373.1831
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88029	0.3
60.04518	0.4
67.66110	0.4
69.03403	0.9
69.55428	1.2
69.55849	1.4
72.08140	0.6
79.07977	0.3
79.58630	0.4
81.07041	0.4
84.08144	2.4
85.02890	0.7
86.09698	0.9
103.63457	0.3
107.08638	0.4
109.06503	0.5
115.03909	0.7
129.10234	1.1
133.10182	0.4
148.66997	0.3
151.03899	0.6
154.71329	0.3
163.03923	0.6
168.33044	0.3
177.05508	0.4
193.12027	2.5
195.13560	7.8
201.03702	8.6
201.05560	0.7
203.05255	7.6
211.13187	0.5
338.13614	0.4
373.18301	100.0
374.18747	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	373.1645
Annotation	Tetrahydrocurcumin
Peak:m/z	Relative Intensity
53.03929	1.3
55.05503	2.2
57.03413	1.1
61.94666	1.2
63.38924	1.1
67.05486	2.9
68.86800	1.1
69.03386	1.4
69.07053	1.2
70.14758	2.1
70.15176	3.9
79.05518	6.1
81.07056	1.2
82.88747	1.3
91.05476	19.5
93.07050	16.8
95.04969	2.4
95.08591	2.6
98.21396	1.4
105.07013	5.8
107.08593	30.9
108.08894	1.1
109.06501	3.4
109.10147	2.2
116.06242	3.0
118.66702	1.1
119.04945	22.1
119.08576	7.6
119.27636	1.1
120.89877	1.1
121.06535	5.0
121.10145	21.7
123.08144	1.4
124.27138	1.0
129.06989	1.6
131.08556	19.4
133.10188	2.2
134.05971	1.3
134.73151	1.1
135.11729	1.8
147.04408	100.0
148.04755	2.6
149.09615	34.9
163.03885	6.6
165.05444	2.5
167.10637	1.4
171.41484	1.1
193.15984	1.6
223.04442	1.4
251.16098	1.1
351.07019	1.4
373.16602	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	373.1282
Annotation	3',4',5',5,7-Pentamethoxyflavone
Peak:m/z	Relative Intensity
55.01875	16.8
67.05486	3.4
69.03423	1.7
70.06558	1.3
71.04965	2.3
71.11272	3.1
73.02916	83.5
79.05464	3.9
81.03385	1.7
81.07032	4.6
83.04987	1.5
85.02896	7.5
85.06499	1.8
89.03886	1.7
91.03940	3.5
91.05449	3.1
93.07011	3.2
94.79379	1.2
95.04957	2.6
95.08569	3.9
97.02837	1.3
103.05456	3.7
105.07017	3.3
107.04932	5.3
107.08611	1.7
109.10160	2.4
111.04435	1.3
114.05520	1.3
115.05403	1.5
117.03361	2.2
119.07141	1.3
119.08561	2.2
121.02833	3.4
121.06467	4.6
121.10147	1.7
123.04446	1.9
125.05962	1.8
129.06967	1.6
131.04900	1.9
133.02876	1.7
133.10168	1.8
135.04384	4.1
135.08057	3.0
137.05966	9.3
137.09651	1.4
139.03792	2.1
141.06984	2.2
145.02844	1.7
145.06419	1.5
147.04396	2.5
148.05251	2.7
151.03879	4.5
152.06213	5.9
153.05478	2.7
153.06958	5.4
153.08075	1.3
154.06204	4.5
155.04829	1.5
155.08452	1.4
161.06009	2.5
163.03911	11.9
163.07532	5.1
163.11166	1.4
164.04269	2.3
165.05638	1.6
165.07005	5.2
167.06993	8.0
167.08452	2.9
168.05794	3.1
169.06470	5.1
170.07294	2.9
171.07997	1.6
173.05954	1.5
175.07549	1.7
175.14789	1.7
177.05453	2.0
177.06979	1.6
179.07007	1.5
180.05788	1.4
181.04988	1.8
181.06454	13.2
182.07269	9.9
183.04486	1.4
183.08031	5.6
185.09595	2.9
188.07855	1.2
191.07027	1.8
193.06561	1.5
194.07324	2.6
195.08040	4.1
195.10132	8.5
196.05223	2.6
197.05984	10.7
198.06737	15.0
199.07472	3.7
201.05380	1.9
205.06401	2.2
208.05148	2.8
209.05885	2.2
209.09636	1.6
210.06740	3.2
211.07588	7.9
211.10884	1.2
211.17088	2.1
212.08333	1.6
213.05664	2.5
213.09114	30.5
215.07056	1.3
221.05952	1.6
222.06635	2.0
223.07640	3.4
225.05373	3.7
226.06255	26.7
227.06975	7.0
228.07669	2.1
229.08357	1.6
233.08060	7.3
234.06693	1.6
237.05562	1.9
237.08939	2.0
239.07036	7.8
240.07819	9.5
241.04858	2.4
241.08557	25.8
242.09094	1.7
243.06519	16.7
244.06857	1.7
249.05527	1.5
250.06226	3.8
251.07014	2.7
252.07562	1.5
253.05006	8.1
253.08618	3.2
254.05626	3.0
255.06569	4.5
255.10091	5.0
256.07214	5.0
257.08075	9.9
263.09232	8.1
265.08591	7.5
266.05606	1.7
267.06497	10.6
268.07285	8.4
269.08063	57.3
270.05478	1.7
270.08762	7.8
271.05991	10.4
271.09259	2.5
272.06778	3.7
273.08490	1.9
273.11221	17.9
274.11411	1.3
281.08032	2.4
283.09653	14.9
284.06638	3.2
284.10068	1.2
285.07672	2.1
286.08359	95.2
287.08859	5.6
288.06296	7.0
295.06113	1.7
295.09424	1.4
296.06696	2.6
297.07452	5.6
299.09192	6.8
300.06470	8.8
300.09555	2.0
301.10690	100.0
302.10959	5.2
303.08548	3.6
311.09109	10.2
313.10571	16.0
316.05826	1.7
317.10159	2.0
325.10526	2.4
327.08670	31.3
327.12216	2.9
328.09155	2.0
331.08118	15.3
341.10132	57.3
342.10550	2.8
343.11655	8.2
345.13184	2.1
355.11670	14.3
373.12753	73.7
374.13065	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1281
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	2.8
61.17310	1.6
65.03925	3.1
69.07024	1.7
71.59180	1.9
79.05503	2.1
83.04980	5.0
85.02895	4.2
91.05466	4.3
92.05798	1.6
93.03384	2.1
95.04941	2.5
96.02084	2.2
97.41059	1.6
103.05464	3.4
105.07045	3.3
107.04950	4.2
109.02872	2.6
109.10126	2.7
111.04440	25.8
115.05444	1.9
119.04964	2.2
121.06513	2.4
123.04443	1.9
124.05140	2.1
125.05995	2.1
126.12482	1.8
129.07031	2.4
131.04950	5.4
135.11705	2.0
137.05952	3.5
139.03940	10.7
141.07013	1.9
143.42583	1.6
145.06496	2.2
147.04364	6.6
148.04831	1.5
151.03897	5.1
153.05482	4.0
153.06886	2.2
159.08061	6.1
161.05925	4.1
163.03841	2.0
163.07523	4.8
165.07039	4.3
166.07703	3.7
167.03403	7.2
167.07039	30.9
169.06442	2.0
175.07561	9.3
177.06921	2.4
178.06300	2.0
178.07762	3.1
179.08464	2.7
181.06511	3.3
182.07251	1.9
183.08034	4.1
186.06688	2.9
187.07497	3.3
191.07088	3.9
193.06520	2.8
193.08626	4.1
194.07254	7.3
195.08049	6.4
197.05916	2.7
197.09703	2.0
199.07524	2.4
205.06497	6.3
206.07220	3.6
208.08850	2.9
209.09587	6.1
211.07510	9.6
212.08250	2.4
213.09119	2.5
217.08624	3.7
219.07974	2.6
221.05925	2.8
222.06793	5.8
223.07571	6.7
224.08240	2.3
225.09041	5.5
233.05952	2.7
234.06569	2.3
235.07413	3.9
236.08246	4.7
237.09117	14.1
239.07063	14.4
240.07813	2.7
241.08417	2.3
247.07544	2.4
250.06293	4.6
251.06995	5.7
251.10751	3.6
253.08539	6.0
254.09273	3.7
255.06490	3.2
255.10144	4.9
256.07254	2.2
257.08096	3.4
263.07062	2.5
264.07816	2.7
265.08582	11.1
266.09052	2.4
267.06662	4.0
267.10187	2.2
269.08047	4.5
269.11655	6.4
270.09027	2.1
271.09808	3.1
279.09854	2.2
280.10776	1.7
282.08829	3.4
283.09631	7.3
287.12775	2.8
293.08011	2.6
295.09583	5.7
297.11209	15.5
299.09070	10.0
300.09692	2.1
309.11047	3.3
311.09039	9.2
312.09601	1.9
313.10657	3.3
315.12222	5.6
323.12427	2.6
325.10635	14.7
327.12033	4.3
329.13580	5.0
341.13553	3.3
343.11737	100.0
344.12000	3.3
355.11752	4.9
373.12695	6.2
373.16309	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	373.1281
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	2.8
61.17310	1.6
65.03925	3.1
69.07024	1.7
71.59180	1.9
79.05503	2.1
83.04980	5.0
85.02895	4.2
91.05466	4.3
92.05798	1.6
93.03384	2.1
95.04941	2.5
96.02084	2.2
97.41059	1.6
103.05464	3.4
105.07045	3.3
107.04950	4.2
109.02872	2.6
109.10126	2.7
111.04440	25.8
115.05444	1.9
119.04964	2.2
121.06513	2.4
123.04443	1.9
124.05140	2.1
125.05995	2.1
126.12482	1.8
129.07031	2.4
131.04950	5.4
135.11705	2.0
137.05952	3.5
139.03940	10.7
141.07013	1.9
143.42583	1.6
145.06496	2.2
147.04364	6.6
148.04831	1.5
151.03897	5.1
153.05482	4.0
153.06886	2.2
159.08061	6.1
161.05925	4.1
163.03841	2.0
163.07523	4.8
165.07039	4.3
166.07703	3.7
167.03403	7.2
167.07039	30.9
169.06442	2.0
175.07561	9.3
177.06921	2.4
178.06300	2.0
178.07762	3.1
179.08464	2.7
181.06511	3.3
182.07251	1.9
183.08034	4.1
186.06688	2.9
187.07497	3.3
191.07088	3.9
193.06520	2.8
193.08626	4.1
194.07254	7.3
195.08049	6.4
197.05916	2.7
197.09703	2.0
199.07524	2.4
205.06497	6.3
206.07220	3.6
208.08850	2.9
209.09587	6.1
211.07510	9.6
212.08250	2.4
213.09119	2.5
217.08624	3.7
219.07974	2.6
221.05925	2.8
222.06793	5.8
223.07571	6.7
224.08240	2.3
225.09041	5.5
233.05952	2.7
234.06569	2.3
235.07413	3.9
236.08246	4.7
237.09117	14.1
239.07063	14.4
240.07813	2.7
241.08417	2.3
247.07544	2.4
250.06293	4.6
251.06995	5.7
251.10751	3.6
253.08539	6.0
254.09273	3.7
255.06490	3.2
255.10144	4.9
256.07254	2.2
257.08096	3.4
263.07062	2.5
264.07816	2.7
265.08582	11.1
266.09052	2.4
267.06662	4.0
267.10187	2.2
269.08047	4.5
269.11655	6.4
270.09027	2.1
271.09808	3.1
279.09854	2.2
280.10776	1.7
282.08829	3.4
283.09631	7.3
287.12775	2.8
293.08011	2.6
295.09583	5.7
297.11209	15.5
299.09070	10.0
300.09692	2.1
309.11047	3.3
311.09039	9.2
312.09601	1.9
313.10657	3.3
315.12222	5.6
323.12427	2.6
325.10635	14.7
327.12033	4.3
329.13580	5.0
341.13553	3.3
343.11737	100.0
344.12000	3.3
355.11752	4.9
373.12695	6.2
373.16309	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	372.1805
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10334	0.3
55.05496	0.6
56.68731	0.3
56.96562	0.4
58.06600	4.9
60.04523	27.4
67.05495	0.5
69.03429	0.5
70.06564	0.4
70.82919	0.6
70.83252	0.4
71.04986	1.5
79.05485	1.3
81.03374	0.3
81.07053	0.8
85.02876	1.5
89.03900	1.0
90.96669	0.3
91.05476	6.4
93.06477	0.4
93.07046	6.6
95.04930	0.5
95.08584	0.4
97.02898	0.4
98.97527	0.4
100.07612	0.8
103.05448	0.8
105.07027	77.4
106.07368	1.3
107.04961	0.7
107.08573	0.7
108.08125	0.4
109.10115	0.8
117.03379	1.1
117.06975	0.5
119.04921	1.5
119.08575	0.4
121.10151	0.3
122.09594	0.5
123.11732	0.3
127.03905	0.4
131.04906	0.6
131.08585	0.8
133.10126	100.0
134.10475	1.9
135.04422	2.5
137.05960	2.7
138.06339	0.6
145.02823	2.1
147.04425	4.7
150.12772	1.1
151.07451	0.4
151.11195	1.0
161.06032	0.5
163.03894	9.6
163.05237	0.7
164.04276	0.4
167.07092	1.9
168.07368	1.3
174.83160	0.3
187.07683	0.4
188.07973	0.5
192.13828	38.5
193.08636	0.7
193.14194	0.9
214.95436	0.3
217.08795	0.4
218.08842	0.9
240.07254	0.4
249.25478	0.3
250.09503	0.6
262.09540	0.4
264.07394	0.4
266.08923	0.5
278.08957	0.6
281.08072	0.4
281.11478	0.3
286.08102	1.0
294.12207	0.5
301.10300	0.6
310.11459	0.8
322.11670	0.6
325.09882	0.4
327.12006	0.4
340.12704	0.6
342.14322	0.6
354.14148	1.7
365.25690	0.4
372.18259	13.9
373.12677	0.5
373.18768	0.5
391.53589	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.2012
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	2.2
58.06598	26.7
60.04523	6.3
61.02927	1.8
67.05492	4.0
69.03419	4.9
69.07066	2.4
70.06596	2.0
71.05000	2.0
71.42966	1.6
71.59109	2.0
71.59549	2.7
79.05474	3.3
81.03417	3.5
81.07039	6.4
85.02885	8.5
86.09703	5.8
91.05458	12.4
93.07044	14.7
95.04945	3.4
95.08588	3.8
97.02889	3.2
105.07034	10.8
107.04948	4.0
107.08592	4.9
109.02895	2.1
109.06512	23.2
109.10178	3.4
114.09161	3.1
119.08566	3.4
121.06509	35.0
121.10132	8.0
123.04420	3.9
123.08045	2.0
123.11698	2.1
131.08586	2.2
133.06520	2.5
133.10135	19.9
135.08034	3.5
136.07549	6.2
137.06006	3.6
147.11667	2.9
149.09618	100.0
150.10002	3.7
151.03911	2.2
151.11182	7.4
152.10684	3.3
163.03905	2.4
167.07031	2.7
167.10699	5.9
174.12830	2.1
175.11185	4.9
192.11034	2.8
192.13800	34.2
193.08450	2.0
193.14221	1.8
194.15544	1.9
201.05510	3.9
203.05293	4.1
204.08672	3.3
210.05801	1.7
210.14944	6.7
239.07152	1.8
354.15961	6.0
372.17081	76.5
373.18234	42.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.279
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	5.6
55.05512	32.2
57.03425	11.3
57.07069	9.7
67.05503	71.1
69.07062	33.3
69.71233	22.1
71.04963	4.2
71.08631	71.1
79.05495	29.1
79.15232	3.0
79.50155	3.8
81.07055	100.0
83.04977	10.7
83.08615	27.0
85.06544	6.3
85.10181	6.2
87.04438	3.3
89.52515	2.8
91.05466	28.3
93.07038	30.5
95.04963	3.3
95.08607	73.8
97.06535	8.1
97.10177	14.0
98.20840	6.0
99.08088	61.3
101.06012	5.0
105.07026	24.8
107.08590	27.1
109.06544	3.9
109.10144	33.0
111.08070	3.5
112.68729	2.8
113.09628	6.1
117.07058	5.0
119.08558	21.0
121.10137	17.4
123.11687	12.6
125.09632	6.2
129.05469	3.8
131.08571	11.9
133.10141	9.0
135.11673	15.6
137.09596	3.6
137.13261	7.1
145.10156	8.3
147.06537	6.2
147.11671	37.2
149.13301	8.3
151.14793	5.6
153.12717	6.9
159.11763	4.3
161.13297	9.6
163.11206	4.3
163.14809	21.9
165.12737	17.5
173.11687	8.1
173.13284	8.7
179.14345	4.7
181.15889	8.6
191.14307	3.4
209.15369	3.7
227.12773	3.4
229.14401	4.9
243.21051	13.5
244.36415	3.0
251.23537	3.2
255.19586	3.9
261.22205	30.2
279.23187	83.9
279.26291	5.0
280.23636	3.6
353.26859	83.4
354.27170	6.7
371.28180	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	371.2792
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.9
55.01876	0.9
55.05513	25.3
56.01368	0.5
57.07077	1.3
57.84486	0.6
61.19520	0.5
64.56206	0.5
65.03942	1.1
67.05505	6.4
69.03432	1.1
69.07065	9.1
70.39912	1.9
70.40303	1.1
71.04990	2.7
71.54230	0.5
79.05492	4.3
81.03441	0.8
81.07053	9.1
83.04980	100.0
83.08617	5.5
84.05288	1.1
85.02905	1.6
85.06544	1.9
91.05455	3.6
93.07034	3.7
95.04945	1.2
95.08603	8.7
97.02874	0.6
97.06540	1.6
97.10168	4.2
99.08107	0.5
101.06022	7.7
103.05463	0.8
103.38105	0.7
105.07038	4.8
107.04964	4.9
107.08605	2.3
107.61031	0.5
109.06529	1.1
109.10159	3.7
111.08078	0.7
111.11713	1.8
115.05434	0.9
119.04935	1.2
119.08571	1.8
121.10149	2.5
123.04424	0.9
123.11671	1.3
124.05196	0.9
125.06020	0.8
125.09601	0.8
128.06213	1.1
129.07004	3.2
131.04924	1.7
131.08582	1.5
132.05690	1.3
133.06497	2.2
133.10123	1.7
135.11696	3.2
137.05978	7.0
137.09621	0.9
137.13239	0.6
139.11223	0.8
141.06978	0.7
144.05823	0.7
145.06566	0.7
145.10126	0.8
147.04428	1.3
147.06564	0.7
147.08009	0.7
147.11684	1.7
149.05954	0.7
151.03943	0.8
151.11229	1.0
151.14818	0.7
153.05455	0.7
153.12746	1.1
156.05673	1.7
157.06496	1.9
158.07204	0.5
159.08099	1.7
160.05083	0.9
161.06007	2.6
161.13283	1.4
163.03922	1.2
165.05511	0.8
165.06958	0.7
165.12857	0.8
167.07037	16.0
167.08408	1.1
168.07410	0.7
169.12247	0.6
172.05219	0.9
175.07538	2.1
175.18526	0.5
177.05547	1.2
177.09135	0.7
178.07860	0.6
179.07060	0.9
181.04947	2.0
181.06406	0.7
187.07530	5.1
188.08008	0.7
189.07156	0.6
189.09129	3.3
190.07776	0.6
191.07045	1.4
191.08598	0.7
191.14398	0.6
192.07817	1.2
199.07454	0.9
201.09137	2.0
203.08611	1.5
205.08499	0.7
206.07298	1.2
207.08014	0.8
211.07568	0.9
217.06689	1.1
217.08607	3.9
217.19518	1.6
218.07214	2.3
219.08096	2.9
221.06087	0.6
221.08051	1.6
221.09840	0.7
222.06915	0.7
223.07500	1.0
224.08412	0.8
225.09183	0.6
231.08063	1.8
233.09674	2.6
234.06856	2.8
235.07510	2.2
235.20572	2.2
236.08359	0.8
237.09137	1.4
238.29523	0.6
239.07085	1.8
240.07785	0.7
241.08588	1.2
246.06795	1.4
247.07526	2.1
248.08183	1.3
249.09059	6.0
250.06331	0.6
250.09688	1.8
251.06908	0.9
251.10867	0.7
252.07785	2.2
253.08492	1.0
253.21654	0.9
257.08096	1.1
261.09119	4.8
262.06287	1.2
262.09784	0.7
263.07056	2.8
263.10425	0.7
264.07867	1.0
265.08466	2.8
266.09381	2.3
269.08078	0.6
277.08606	9.6
278.09277	3.4
279.10083	3.2
280.07437	1.3
281.08148	1.8
281.11758	2.2
285.07556	2.7
289.08661	2.0
290.09152	1.0
291.10236	1.2
293.08224	1.3
293.11676	3.5
294.08920	1.0
296.10529	1.3
300.09946	4.2
301.10638	0.8
306.08835	1.5
307.09576	2.0
308.10309	1.2
309.11136	4.8
310.11670	1.1
311.09332	1.0
311.12552	2.8
313.10660	1.1
321.11069	3.9
322.11896	1.0
323.09082	0.8
325.10663	0.7
326.11426	1.7
339.08267	1.1
339.12256	18.7
340.12524	2.6
341.10214	1.0
341.13852	4.8
342.14063	0.6
353.13950	3.9
353.26843	3.0
354.14175	0.7
371.11197	1.8
371.14960	24.2
371.27914	36.3
372.15454	2.9
372.28162	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2791
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05808	1.8
53.03928	2.8
55.01852	7.4
55.05266	3.2
55.05512	43.5
57.03436	10.2
57.07060	8.8
59.04995	1.9
60.51060	1.8
63.32555	2.1
65.03929	2.1
66.37052	1.9
67.03611	2.1
67.05503	100.0
68.05835	3.2
69.03397	4.6
69.07066	60.6
71.04974	8.2
71.08282	2.8
71.08629	34.3
71.60316	3.4
79.05489	48.6
80.66210	2.0
81.07056	97.4
82.07385	3.2
83.04986	10.6
83.08618	27.9
85.06540	7.0
91.05448	20.0
93.07043	45.4
95.04934	4.3
95.08604	73.0
97.06519	12.9
97.10170	30.1
99.08092	29.6
105.07042	15.6
107.08591	48.8
109.06525	3.5
109.10157	52.4
111.08084	7.0
111.11738	2.6
113.09615	3.8
117.07025	7.3
119.04920	4.0
119.08550	13.5
121.10136	19.1
123.08051	3.9
123.11713	16.6
125.09632	17.4
127.11182	3.0
131.08560	12.4
133.10101	12.3
135.08044	5.5
135.11682	31.9
135.65417	2.2
137.09573	5.5
137.13263	13.6
139.11142	3.1
145.10136	9.9
147.04404	12.8
147.11676	23.3
149.09608	4.0
149.13246	8.0
151.11131	3.9
151.14804	5.8
153.12732	14.0
159.11681	5.2
161.13210	9.6
163.11165	4.2
163.14809	12.8
165.12746	9.2
169.12199	2.0
171.10159	2.3
173.11702	10.8
173.13245	8.0
175.14813	2.3
177.12689	2.9
181.15845	4.2
187.14844	7.1
189.11211	13.0
191.14381	2.9
223.16899	3.7
227.12744	8.4
233.22636	6.2
243.21170	15.1
244.21143	2.1
245.13931	6.1
255.19762	3.2
261.22171	34.7
279.23187	93.6
280.23553	6.9
297.24213	5.4
353.26871	93.4
353.30225	1.7
353.31375	3.1
354.27115	8.9
371.28119	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	371.2063
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.9
55.05510	1.6
61.02914	1.0
67.05503	1.9
69.03432	2.7
69.07042	1.3
69.25911	10.2
71.05004	1.8
73.65746	1.0
79.05522	4.8
81.03411	1.6
81.07059	5.6
85.02892	7.0
85.06542	5.6
91.05442	7.8
93.07042	4.5
95.04967	1.2
95.08592	4.3
97.02873	1.8
97.06547	4.7
98.21445	2.1
99.04454	1.4
99.08139	1.3
101.58760	0.9
103.05480	1.7
105.07032	16.8
107.04955	3.7
107.08599	6.2
109.06512	1.6
109.10191	2.1
111.08051	1.3
115.05435	1.5
116.57720	0.8
117.07020	1.8
119.04935	1.3
119.06379	1.2
119.08572	6.9
121.06546	1.2
121.10120	5.2
122.03618	1.0
122.93677	0.9
123.04427	4.4
123.08077	1.5
127.03899	1.4
129.07016	2.4
130.07748	1.0
131.04953	2.4
131.08563	17.4
132.05682	1.0
133.06523	1.7
133.10127	100.0
134.10493	3.1
135.08080	2.9
135.11690	1.3
137.05975	6.2
143.08589	3.6
144.05701	1.3
144.09343	1.1
145.04945	1.6
145.10115	6.9
147.08037	1.0
147.11697	6.1
149.05980	1.4
149.09682	1.8
149.13254	4.6
151.07649	1.0
151.11195	3.5
156.05710	1.7
158.10893	5.9
159.08095	2.6
160.05196	1.1
161.05997	3.0
163.03810	1.0
163.11165	0.9
163.14799	5.4
167.07045	11.0
172.05235	1.5
173.13257	49.5
174.06752	1.0
174.13634	2.4
175.07686	1.9
175.14880	2.3
177.00697	1.1
177.05470	1.7
187.03931	1.2
187.07486	5.3
191.07016	2.8
191.14308	45.6
192.07826	3.1
192.14697	2.2
200.37175	0.9
206.07196	1.1
209.15399	6.2
217.06886	1.1
217.08524	5.4
218.07217	1.4
239.07082	1.3
247.09729	1.6
247.93454	0.9
249.09177	2.6
261.09180	1.5
265.08624	1.4
277.08508	1.8
281.11664	1.1
285.07593	1.5
293.11841	1.3
295.09720	1.1
300.10025	2.2
301.10660	1.1
307.09509	0.9
309.11124	2.9
311.12839	1.5
321.11182	2.8
327.12091	1.2
339.12387	3.7
341.14050	2.2
353.13962	4.3
371.15237	12.5
372.16104	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	371.1675
Annotation	His Asn Thr
Peak:m/z	Relative Intensity
58.09372	0.3
66.56598	0.3
69.03427	0.5
69.45855	0.2
71.00073	0.7
81.07021	0.3
83.05019	0.3
85.02915	0.4
93.07074	0.3
95.01231	0.3
96.24139	0.3
97.02805	0.2
98.20798	0.3
105.07003	0.3
107.08631	0.4
109.10136	0.3
133.06435	0.3
133.10167	0.4
141.77417	0.3
153.05426	1.6
163.03903	2.0
163.07686	0.3
167.07042	0.5
191.10411	4.3
203.03424	1.0
203.05235	9.7
209.11507	0.5
321.10703	0.3
339.07178	0.4
353.15701	4.9
371.16745	100.0
372.16992	3.4
372.20959	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2063
Annotation	(6R,9S)-3-Oxo-alpha-ionol beta-D-glucoside
Peak:m/z	Relative Intensity
52.57084	0.4
53.03935	1.1
54.10444	0.4
55.05499	1.7
57.03426	1.0
59.04978	0.5
61.02909	1.4
67.05505	5.1
69.03424	4.4
69.07057	2.0
71.04993	2.5
71.19384	1.1
73.02912	0.8
79.05488	2.1
81.03405	2.1
81.07050	1.4
83.04977	2.4
85.02901	14.6
85.06519	1.5
87.04483	0.7
91.05449	4.1
93.07041	6.1
95.04970	1.2
95.08604	60.5
96.08939	1.8
97.02883	4.8
97.06528	12.9
99.04457	1.7
99.08087	1.4
103.05501	0.6
105.07028	6.8
106.07353	0.5
107.08595	6.8
109.02863	0.6
109.06497	1.3
109.10155	4.0
115.05414	0.6
115.07567	1.9
117.06992	0.7
119.08588	3.6
121.06477	0.9
121.10134	8.0
122.10476	0.6
123.08053	0.8
123.11684	4.9
125.09624	1.1
127.03925	2.7
129.07016	0.6
131.08551	5.4
133.10123	100.0
134.10477	4.0
135.08070	2.4
135.11697	2.3
137.05945	0.6
139.11206	0.5
143.08546	1.9
144.09309	0.8
145.04947	3.1
145.10120	3.1
147.11690	3.2
149.09624	1.2
149.13266	3.9
151.11169	8.3
158.10921	3.6
163.06020	0.6
163.14786	4.6
173.13255	31.0
174.13640	1.5
177.09213	0.5
191.14293	36.4
192.14668	1.9
203.05264	0.7
209.15353	8.1
353.19412	0.6
371.16754	18.2
372.17154	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1489
Annotation	Fragransol D
Peak:m/z	Relative Intensity
52.59623	1.9
53.69013	1.9
67.88686	1.8
70.53232	4.3
70.53627	3.7
71.04961	2.0
72.91759	2.1
73.56302	2.4
79.05508	12.0
81.07081	4.8
85.02901	2.3
91.05466	9.7
94.04203	2.9
95.04984	3.2
103.05444	2.7
105.07007	3.6
105.90950	1.9
106.65735	1.8
107.04955	18.8
109.06511	2.6
115.05457	3.0
116.06256	2.4
117.07009	2.8
119.04942	1.9
122.03647	7.3
123.04431	2.8
124.05180	3.7
125.05983	3.8
128.06239	7.2
129.07018	10.8
131.04909	6.4
131.08566	10.0
133.06421	2.1
133.10056	3.0
137.05977	100.0
141.06975	3.8
144.05688	10.9
145.06497	6.3
147.04367	2.9
151.03944	5.3
151.07530	3.1
152.04593	3.1
156.05702	21.2
157.06454	8.6
158.07295	4.3
159.08051	20.2
160.05185	2.7
161.05934	4.8
163.03766	2.6
163.07558	2.5
167.07045	47.8
167.08417	3.8
169.06429	2.3
172.05199	6.6
174.06746	5.8
175.07518	13.2
177.05481	5.7
178.07777	3.1
179.07066	2.9
181.06448	3.7
186.06731	4.7
187.07555	28.3
189.07007	4.1
189.09117	7.8
190.07831	4.5
191.06995	4.1
193.10284	2.9
195.08093	3.0
198.06618	2.7
199.07539	3.6
201.09102	2.0
202.06198	6.3
202.07840	3.6
203.06921	3.3
203.08572	7.4
205.06657	2.1
205.08562	5.8
205.10233	3.9
206.07266	6.3
207.08023	6.6
211.07565	7.5
212.08092	1.9
215.06906	4.0
215.08699	3.4
217.06631	3.3
217.08569	69.6
218.07176	11.7
219.08055	7.7
219.10199	4.8
220.08640	2.6
221.06068	2.1
221.09677	10.6
222.06747	3.2
223.07526	4.6
223.82716	1.9
224.04704	2.4
224.08478	1.9
225.05354	4.4
226.06262	6.1
231.08008	9.8
232.08838	6.0
233.06084	2.4
233.09666	15.2
234.06726	13.3
235.07475	14.9
236.08287	5.0
237.05464	2.8
237.09335	2.1
238.10030	2.8
239.06989	20.0
241.08568	13.2
242.05763	5.6
243.08296	2.9
246.06743	6.7
247.07436	6.1
247.09688	28.0
248.08218	2.7
249.09111	26.6
250.09868	6.6
251.07004	8.1
251.10669	3.0
252.07780	7.9
256.07239	2.7
257.08102	6.7
260.08340	5.0
261.09125	25.3
262.06351	3.6
262.09518	4.1
263.07040	12.4
263.10727	2.6
264.07874	6.3
265.08539	8.4
266.09418	9.2
267.06509	2.9
267.09921	2.9
269.08127	4.3
271.06021	8.9
275.07016	4.4
277.08551	17.9
278.09219	14.0
279.06485	4.8
279.09964	4.3
280.07333	7.6
281.08105	3.0
281.11740	11.6
285.07571	66.0
286.08127	6.3
289.08560	8.1
290.09320	3.2
291.06784	3.8
291.10178	6.2
293.08121	5.5
293.11679	24.5
294.08853	8.0
295.09613	6.0
296.10440	2.9
298.08282	2.1
300.09906	79.4
301.10593	20.1
305.08185	2.8
306.08838	7.5
307.09573	12.3
308.07004	3.1
308.10263	2.3
309.11203	27.6
311.09131	4.8
311.12659	4.1
313.10651	12.5
321.11142	33.4
322.11832	4.6
323.09094	7.3
325.10715	4.0
326.11465	17.3
327.12219	6.4
338.11423	7.5
339.12256	26.9
340.12686	4.3
341.10318	3.3
341.13885	17.1
353.13818	72.8
354.14130	3.0
371.14886	44.1
372.15152	3.6
393.92053	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	371.1674
Annotation	Asn Thr His
Peak:m/z	Relative Intensity
60.04506	0.4
70.71812	0.5
70.72218	0.5
74.43571	0.2
75.12970	0.2
81.03170	0.9
83.29484	0.3
107.08584	0.7
109.10112	0.3
122.38740	0.3
133.10146	0.8
142.36119	0.3
151.11188	0.7
191.10422	11.6
192.10776	0.4
192.13774	0.4
203.05260	17.0
207.89503	0.3
254.36133	0.3
353.15836	0.6
353.54846	0.2
371.16748	100.0
372.16367	2.4
372.20441	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1488
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06596	1.1
61.55100	0.6
62.50991	0.6
70.06585	0.8
71.04975	1.3
71.61243	0.8
71.61676	1.2
73.16704	0.6
79.05504	2.2
81.03387	0.9
81.07050	1.5
85.02910	2.0
91.05450	1.9
93.07025	1.0
95.04976	1.9
97.02906	0.8
103.05455	0.8
105.07054	3.3
107.04955	6.1
107.08611	0.8
109.06550	0.7
115.05489	1.2
115.59248	0.7
117.06225	0.8
118.74953	0.6
119.04950	0.9
121.10198	0.7
123.04443	1.5
129.07034	2.4
131.04942	2.3
131.08638	2.0
133.02856	0.9
133.06543	2.0
133.10178	1.5
137.05984	15.4
144.05762	1.3
145.06540	1.0
147.04500	0.8
147.08086	1.3
149.06027	1.7
149.09729	0.9
151.03973	1.1
151.07603	1.3
153.05457	1.1
156.05679	3.8
157.06529	1.2
159.08025	3.4
160.05183	0.9
161.06050	2.3
163.04083	0.9
167.07054	23.5
169.06378	0.7
172.05232	1.7
174.06827	0.9
175.07555	4.6
177.05534	2.9
178.07846	1.1
181.08679	0.8
184.05247	0.8
187.07568	10.4
187.09143	0.8
188.27704	0.6
189.06998	1.7
190.07869	1.1
191.07071	2.6
191.10542	2.5
191.14351	1.3
193.08649	2.8
195.08176	0.9
199.07684	1.4
202.06258	1.3
202.07964	1.1
203.05251	4.6
203.08545	1.6
205.08543	1.5
206.07324	2.7
207.08112	1.6
208.08812	1.1
209.11528	1.8
209.15431	1.2
215.08559	1.6
217.08566	9.6
218.07330	2.9
218.09274	1.0
219.08003	3.4
221.06042	1.6
221.09677	2.3
223.07550	1.3
224.08513	1.0
226.06320	1.2
231.08167	1.7
232.08849	0.9
233.09723	2.9
234.06897	1.8
235.07632	3.0
236.08415	1.9
238.09969	1.2
239.07159	1.7
241.08699	2.7
243.08344	0.9
246.06824	1.2
247.07533	2.0
247.09819	2.7
248.08411	2.3
249.09128	5.5
250.10060	2.4
251.07239	1.0
251.10727	1.4
261.09094	4.8
262.06329	1.3
263.07147	2.8
263.10837	0.7
264.07843	3.3
265.08585	1.2
266.09521	1.9
269.08228	1.7
275.07349	0.9
276.07843	0.8
277.08585	4.5
278.09515	2.7
279.06912	1.2
279.10294	3.6
281.08762	1.2
281.11517	3.4
285.07788	2.7
286.08539	1.0
289.08630	2.2
291.06857	0.9
293.08658	0.8
293.11545	3.3
294.08984	1.1
295.09888	2.6
300.09860	4.9
301.10764	4.4
305.17709	0.7
306.09094	1.4
307.09637	4.3
308.10269	0.9
309.11163	8.2
311.12723	1.3
321.11249	6.6
322.12189	1.1
323.09268	1.6
325.10864	1.1
326.11713	2.1
327.12415	2.1
338.11642	1.9
339.12259	6.1
340.13211	1.3
341.13809	8.9
342.14584	0.7
353.13806	15.3
354.14255	1.1
371.16855	100.0
372.17001	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	371.1489
Annotation	Spiraformin B
Peak:m/z	Relative Intensity
54.80819	0.3
55.01852	0.5
69.64156	3.0
91.05457	0.8
96.38245	0.3
105.07019	0.4
107.04906	1.1
121.06419	0.4
131.04892	0.9
135.04411	0.4
135.08148	0.5
137.05966	0.5
145.06425	0.7
147.04335	0.5
165.06941	1.3
166.07755	0.5
167.07057	1.0
167.08479	0.4
175.07503	0.6
178.07704	1.3
179.08478	1.1
181.06483	1.9
183.08049	0.4
189.06970	0.8
190.07741	0.8
191.08513	0.9
191.14351	1.9
193.06477	1.1
194.07281	3.1
195.07991	1.7
196.08795	0.6
197.06001	0.5
202.07666	0.5
203.08446	0.9
205.06433	1.6
205.10030	0.6
206.07259	2.2
207.08112	2.7
208.08630	0.6
209.05910	1.2
209.09575	1.3
210.06703	1.0
215.08517	1.3
218.07346	1.8
219.08038	1.9
220.08723	0.5
221.06006	2.7
221.09514	0.9
222.06714	4.1
222.10240	1.0
223.07503	2.7
224.08336	3.0
225.08861	0.5
228.63988	0.5
231.08017	1.5
232.08759	1.4
233.05998	0.8
233.09583	1.7
234.06706	2.9
234.10318	1.2
235.07516	5.2
236.08308	3.8
237.05469	1.9
237.09061	3.8
238.09576	0.6
239.06992	0.7
239.10564	0.6
240.07848	0.8
240.20061	0.4
243.07983	0.4
246.06712	0.4
247.07491	1.1
248.08206	0.7
249.05435	1.3
249.09109	11.2
250.06265	3.7
250.09862	3.0
251.07001	3.8
251.10571	0.7
252.07799	11.3
253.08575	2.8
260.08304	1.0
261.09140	1.6
262.09698	0.7
263.07016	2.8
264.07782	5.2
265.05008	1.7
265.08597	16.8
265.11722	0.6
266.05655	0.4
266.06256	0.6
266.09344	9.8
267.10059	1.6
275.10663	0.9
277.08551	4.5
278.09308	2.9
279.06497	1.5
279.09973	1.0
280.07303	11.1
280.10623	0.8
281.08084	6.5
282.08716	0.6
282.60339	0.5
285.11014	0.6
292.10815	0.5
293.08066	2.3
293.11676	11.2
294.08737	1.9
295.09689	4.6
296.06989	0.5
296.10431	9.6
297.10916	0.7
303.10104	0.7
307.09665	0.5
308.10056	0.4
309.11148	2.0
310.11954	1.1
311.09219	0.5
311.12787	9.8
312.09818	0.8
313.10712	1.3
321.11221	6.1
323.09247	0.5
324.09875	2.0
325.10712	1.2
327.12048	0.5
339.12262	100.0
340.12766	8.7
341.13260	0.4
353.13916	0.6
356.12463	0.6
371.14883	51.0
372.15298	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	371.1489
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83464	1.4
54.85193	1.5
55.34472	1.4
69.03412	1.7
69.96082	4.9
69.96495	4.1
71.04993	4.4
79.05113	1.4
79.05477	9.3
81.03382	1.4
81.07046	2.5
85.02895	3.7
91.05474	10.9
94.04181	5.2
94.63242	1.6
95.04962	4.4
103.05488	2.2
105.06977	2.0
107.04946	23.0
109.06480	4.6
111.04398	2.5
115.05456	4.4
116.06247	2.0
117.07032	2.1
119.04945	2.9
121.06495	3.2
122.03640	8.7
123.04436	3.2
124.05187	4.3
125.05962	2.9
128.06224	5.3
129.05522	1.9
129.07008	12.7
131.04898	3.4
131.08571	11.8
133.02893	1.8
133.10129	1.9
135.04382	3.0
137.05966	100.0
138.06325	2.0
141.06978	4.3
144.05692	9.4
145.06454	5.9
147.04402	5.7
149.05994	3.8
151.03903	2.1
151.07542	6.5
152.04721	2.2
153.05583	1.8
156.05681	20.3
157.06499	6.4
158.07243	3.5
159.08044	23.0
160.05206	3.4
161.05975	3.5
163.03941	2.9
165.05484	2.1
165.06949	2.0
167.07028	59.5
169.06526	4.3
172.05222	4.9
173.06012	2.3
174.06734	9.6
175.07549	16.9
177.05447	5.8
178.07796	5.6
179.07051	2.1
179.08556	1.7
181.06427	3.3
181.08604	2.7
184.05186	3.1
185.05904	2.4
186.06758	5.3
187.07535	27.6
189.07166	3.0
189.09109	9.7
190.07759	3.9
191.07021	2.2
195.06433	1.8
195.08072	2.5
198.06750	2.5
199.07516	4.2
201.09088	5.6
202.06216	7.9
202.07892	2.8
203.06903	2.7
203.08604	7.9
205.06592	3.6
205.08603	5.5
205.10252	2.4
206.07237	6.7
207.08069	5.3
211.07558	6.0
214.06242	3.2
215.06841	3.3
215.08615	5.8
217.06577	3.5
217.08569	82.2
218.07257	10.0
218.09065	3.9
219.07990	8.8
219.10191	5.6
220.08786	2.2
221.06087	2.1
221.09660	10.0
223.07513	3.3
224.04767	4.3
225.05449	3.2
226.06204	5.2
227.06921	2.2
229.08629	3.3
231.08072	7.8
232.08867	5.6
233.05946	2.2
233.09634	15.1
234.06671	11.5
235.07510	11.7
236.08325	2.1
237.05519	3.1
237.09013	2.2
238.09840	2.6
239.07013	28.1
240.07648	4.2
241.08560	15.7
242.05731	5.5
243.08153	3.2
246.06758	4.5
247.07477	6.4
247.09682	29.2
248.08270	5.7
249.09120	24.5
250.06380	2.4
250.09846	3.8
251.06897	8.5
251.10728	3.6
252.07753	11.3
255.06494	2.2
256.03528	2.4
257.07935	8.6
259.07449	2.5
260.08371	5.8
261.09052	26.0
261.11630	2.4
262.06287	6.0
262.09827	4.9
263.06955	12.1
263.10663	4.0
264.07761	4.5
265.08551	6.1
266.09341	8.1
267.09915	2.6
269.08130	8.5
270.05145	2.0
271.05856	12.6
271.09735	1.6
275.07028	3.2
275.10611	3.3
276.07916	2.6
277.08582	24.0
278.09329	17.5
279.06494	4.5
279.10156	4.8
280.07327	5.2
281.11703	8.9
283.09695	3.2
285.07574	71.6
286.08115	6.6
289.08582	11.6
290.09268	2.6
291.06491	5.7
291.10159	5.4
292.07468	2.1
292.10834	3.5
293.08136	8.4
293.11713	24.9
294.08765	5.0
294.11935	2.1
295.09723	8.2
298.08371	3.5
299.08575	2.8
300.09885	79.4
301.10599	22.0
306.08762	9.3
307.09598	9.5
309.11172	27.1
310.11774	2.8
311.09195	5.1
311.12567	2.2
313.10638	12.4
321.11185	37.0
322.11737	7.6
323.09024	10.3
326.11386	22.0
327.12030	4.3
338.11435	8.5
339.12329	13.0
341.13824	28.4
343.15494	2.8
353.13803	67.7
354.14005	3.8
356.23306	1.8
371.11169	2.0
371.14862	46.8
372.15152	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	371.1488
Annotation	Spiraformin B
Peak:m/z	Relative Intensity
55.01826	0.9
62.49266	0.6
66.10333	0.6
67.37711	0.5
69.99461	2.5
69.99869	0.9
79.05466	1.2
86.76641	0.6
91.05408	1.7
93.91905	0.5
103.05422	0.8
105.06975	1.6
107.04903	1.7
113.74255	0.6
115.05391	0.8
119.04884	0.8
121.06485	0.9
123.04433	0.6
127.77478	0.6
129.06984	0.9
131.04921	1.2
133.06415	1.3
137.05951	3.6
144.05698	0.7
145.06483	0.8
147.04294	0.7
149.05943	1.2
156.05653	1.0
159.07982	1.3
161.05946	0.9
165.06947	2.1
167.07034	5.8
169.15340	0.6
175.03816	0.7
175.07509	1.2
177.05385	1.1
177.06911	0.7
178.07745	1.9
179.08507	1.8
181.06430	2.2
187.07397	1.5
189.06894	1.6
190.07701	1.6
190.77083	0.6
191.08447	1.5
192.05745	0.7
193.06531	0.9
193.08521	2.3
194.07193	2.2
195.07994	1.4
196.05064	0.8
196.08649	0.6
203.08498	1.2
205.06493	2.2
205.10139	1.0
206.07251	3.1
207.08066	3.5
208.08734	1.1
209.06058	1.4
209.09599	1.2
211.07378	0.9
215.08501	1.1
217.06653	0.7
217.08556	2.9
218.07214	2.6
219.08022	2.4
220.08664	1.0
221.05902	2.9
221.09538	1.3
222.06786	6.1
222.10269	0.8
223.07556	4.2
224.08333	2.9
224.30690	0.6
225.08939	1.5
227.07051	0.7
231.07977	1.1
232.08792	2.1
233.05974	0.9
233.09462	3.0
234.06734	4.4
235.07542	6.4
236.08260	4.5
237.05313	2.4
237.09154	3.8
237.12968	0.7
238.06036	0.9
238.09683	0.6
239.06996	2.4
240.07721	0.7
242.33472	0.8
243.07993	0.7
246.06740	0.7
247.07491	1.2
247.09721	1.4
248.08232	1.9
249.05431	1.6
249.09082	14.1
250.06296	3.3
250.09908	4.0
251.06877	3.9
252.07800	11.8
253.08546	3.0
260.08441	1.3
261.09061	1.9
262.09891	0.8
263.07016	3.3
264.07767	6.6
265.05069	2.1
265.08588	19.3
265.11600	0.7
266.05313	0.6
266.06290	0.8
266.09341	11.6
267.06540	1.3
267.09921	1.3
269.07776	0.8
275.10654	1.0
277.08652	5.7
278.05969	0.7
278.09210	3.0
279.06564	1.3
279.10181	1.4
280.07272	11.4
280.10638	1.5
281.08044	7.1
285.07535	1.4
285.10748	0.5
289.08627	1.3
291.06592	0.7
291.09872	0.7
292.07227	1.0
292.10791	0.7
293.08072	2.7
293.11670	12.4
294.08850	2.2
295.09631	4.4
296.06995	0.9
296.10397	10.6
297.11038	1.0
300.09885	2.3
303.10178	0.8
306.08810	1.2
307.09512	1.0
309.11035	3.8
309.53226	0.9
310.11880	1.4
311.09473	0.9
311.12759	8.9
313.10513	1.5
321.11160	8.2
322.11789	0.8
324.09848	1.8
325.10757	1.2
326.11292	0.7
339.12247	100.0
340.12781	9.2
353.13693	3.5
371.14877	56.7
372.15216	2.2
379.98999	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1488
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79018	0.7
53.03939	1.0
55.01863	1.9
65.03933	0.8
68.32916	0.6
69.03426	1.3
70.05857	1.5
70.06266	2.7
71.04987	0.8
77.82510	0.6
78.04702	2.6
79.05488	8.2
81.03409	1.1
81.07031	1.4
91.05475	4.8
93.07043	0.7
95.04945	3.1
97.02852	0.9
103.05452	3.7
105.06403	0.8
105.07035	9.4
106.04142	2.0
107.04943	14.0
109.06532	0.7
115.05447	3.0
117.07021	1.6
119.04916	1.4
119.08561	2.0
121.06495	2.0
122.03674	1.0
123.04444	6.4
124.05209	4.2
125.05980	1.6
128.06213	2.4
129.06993	8.5
131.04904	4.7
131.08586	1.5
132.05692	2.8
133.06493	8.2
134.03638	0.7
137.05960	4.2
140.04678	0.8
141.07033	1.0
143.05962	0.8
144.05675	1.6
145.06445	1.3
147.04402	2.8
147.08029	3.1
149.05981	1.4
151.03888	2.6
152.04697	3.3
153.05446	1.9
153.31068	0.7
155.04959	1.6
155.07036	1.5
156.05646	1.6
159.08020	9.1
160.05196	2.6
161.05972	12.5
162.03064	0.7
163.03789	1.9
163.07523	1.0
167.07030	100.0
168.07365	2.5
169.06465	1.2
171.08022	2.0
172.05180	3.4
175.07547	21.9
176.04675	1.4
176.07872	0.9
177.05453	1.7
177.06888	0.8
178.07759	1.1
179.07069	1.3
181.08452	0.8
187.05856	1.4
187.07530	25.6
188.07980	0.9
189.07002	2.7
189.09201	1.2
190.07773	2.5
191.07034	7.9
191.08574	1.8
192.07823	1.3
193.08583	1.7
193.10159	1.3
199.07503	8.3
202.07768	2.2
203.08589	4.5
205.06532	1.8
206.07236	3.4
207.08017	1.8
209.08047	1.5
215.08662	1.8
217.06628	1.1
217.08636	2.7
218.07214	3.2
219.08095	3.9
220.08818	1.6
221.06207	0.9
221.09621	5.0
223.07530	1.0
231.08073	3.9
232.08818	1.1
233.09616	3.5
234.06653	3.8
235.07574	3.0
237.09186	1.4
239.07205	0.9
243.08112	1.2
245.05983	1.1
246.06783	2.8
247.07520	2.3
248.08199	1.4
249.09158	6.3
250.06264	0.9
250.09747	1.7
251.07039	2.4
252.07703	0.9
259.07562	1.1
260.08231	1.9
261.05270	0.7
261.09100	5.5
262.06250	1.0
263.07095	2.4
263.10376	1.0
264.07523	0.8
265.08502	1.9
266.09341	2.5
276.07773	0.8
277.08600	4.1
278.09207	3.7
279.06586	0.9
279.10138	1.1
281.11710	13.6
285.07526	1.1
289.08569	4.0
290.09305	1.1
291.10214	2.2
293.08456	1.1
293.11563	4.1
294.08899	1.7
295.09628	1.4
300.10022	1.9
305.07996	0.8
306.08865	2.0
307.09589	3.0
309.11197	11.6
310.11810	2.4
311.09052	1.2
311.12485	1.1
321.11252	8.5
322.11823	2.8
323.09396	1.0
325.14236	1.7
326.11520	3.0
338.11447	1.2
339.12177	3.9
341.13821	16.1
353.13831	6.7
371.11316	0.6
371.14957	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1489
Annotation	Fragransol D
Peak:m/z	Relative Intensity
53.03935	1.8
67.05492	2.0
69.03409	5.2
69.44899	16.5
71.04980	3.5
77.03896	1.8
78.04724	2.0
79.05494	11.0
81.03434	2.4
81.07058	2.8
83.04980	2.5
85.02906	14.0
91.05486	7.8
93.07027	4.7
94.04191	3.8
95.04948	5.4
97.02866	7.3
103.05460	4.2
105.07053	10.7
107.04958	26.5
107.08572	3.0
108.60203	1.7
109.06508	4.3
111.04430	2.6
115.05445	6.1
117.07015	2.8
119.04905	3.8
119.08561	2.4
120.87972	1.7
121.06429	1.8
121.10145	5.0
122.03626	6.8
123.04429	6.1
124.05201	5.4
128.06221	7.2
129.06995	16.2
131.04947	4.8
131.08545	9.5
132.05722	2.9
133.02864	2.0
133.06453	4.3
133.10144	4.6
135.04446	2.0
137.05974	72.2
137.09515	1.8
141.06990	4.7
144.05678	6.6
145.06464	5.4
147.04390	2.8
147.08022	3.0
148.38840	1.7
149.06046	2.6
149.09618	64.5
149.13199	1.8
151.03900	5.1
151.07507	2.7
151.11165	2.6
152.04668	3.8
155.04933	2.6
156.05681	15.2
157.06435	5.1
159.08038	20.6
160.05251	4.1
161.05959	8.4
163.03886	4.9
163.07646	1.7
165.05438	2.2
165.12709	2.1
167.07040	100.0
169.06418	3.7
172.05133	6.3
173.05978	2.6
173.13277	3.1
174.06731	5.8
175.07542	23.0
177.05475	4.9
177.06870	1.9
178.07776	4.8
181.04933	3.4
181.08505	1.9
183.06529	2.5
184.05238	4.1
186.06667	3.3
187.07545	36.1
188.08075	2.2
189.05399	2.1
189.07008	5.4
189.09077	6.1
190.07784	4.2
191.07007	7.1
191.14293	12.8
192.07709	2.5
193.10101	2.6
198.06760	2.4
199.07495	5.7
202.06247	6.1
202.07875	3.7
203.08540	8.2
204.09329	1.9
205.06506	2.8
205.08556	4.3
206.07281	7.0
207.08160	4.2
208.08296	2.0
209.08035	1.9
209.15443	11.2
211.07547	5.4
215.06792	2.6
215.08612	4.6
217.06671	2.2
217.08598	59.8
218.07191	8.4
219.07976	7.8
219.10161	5.9
220.08809	3.7
221.06015	2.5
221.09598	7.0
223.07471	4.1
226.06274	3.9
231.08037	8.3
232.08839	5.0
233.09596	13.2
234.06767	9.8
235.07547	11.8
237.09123	3.8
239.06999	14.4
241.08632	11.4
241.10696	2.4
242.05717	3.8
243.08363	2.3
246.06757	7.9
247.07460	5.6
247.09657	22.6
248.08125	4.1
249.09172	21.0
250.09833	5.4
251.07077	9.2
252.07756	9.1
257.07993	5.7
260.08261	6.1
261.09088	22.9
262.06332	3.0
262.09781	3.4
263.07086	9.2
263.10614	6.2
264.07855	2.1
265.08609	4.2
266.09320	6.5
267.10120	4.0
269.08051	5.0
271.06015	4.8
276.08008	2.3
277.08676	18.4
278.09348	16.0
279.06607	4.1
279.09894	3.5
280.07294	4.3
281.08417	4.0
281.11734	10.7
283.09705	4.2
285.07568	47.6
286.07983	5.3
287.09384	1.9
289.08560	10.9
290.09381	3.4
291.06699	3.6
291.09933	3.3
292.10760	2.3
293.08096	5.4
293.11673	17.4
294.08762	4.0
294.12030	2.0
295.09659	6.7
298.08414	4.7
299.13129	1.7
299.16476	1.8
300.09933	53.6
301.10590	13.0
305.08154	2.4
306.08771	7.5
307.09598	7.3
308.06802	1.8
308.10138	2.4
309.11221	26.9
310.11765	2.7
311.09109	4.9
313.10751	8.6
321.11240	31.3
322.11816	5.0
323.09064	9.1
325.10629	2.6
325.14148	2.6
326.11554	15.0
327.12042	3.5
328.13016	4.0
335.08621	1.8
338.11505	8.0
339.12189	4.9
341.13794	25.0
353.13818	60.4
354.14096	5.9
371.10547	2.2
371.14890	36.4
372.15097	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1463
Annotation	Unknow
Peak:m/z	Relative Intensity
57.27119	0.2
69.83929	0.2
69.95421	1.3
81.07037	0.5
93.05948	0.2
98.21466	0.5
105.07033	0.4
109.10144	0.3
123.11695	0.7
137.05966	0.6
147.04382	0.5
149.09702	0.3
167.07040	0.7
171.70671	0.2
187.07445	0.4
217.08702	0.3
218.06989	0.3
264.28607	0.3
285.07513	0.4
339.12427	0.3
353.13531	0.6
371.14636	100.0
372.14993	6.5
389.15427	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1482
Annotation	Gliocladinin A
Peak:m/z	Relative Intensity
55.01855	1.4
67.05491	2.4
67.82430	1.8
69.03408	3.4
69.07082	1.7
70.00340	1.3
71.50713	2.4
71.51125	1.7
79.05482	7.0
79.22011	1.3
79.87461	1.3
81.03403	2.2
85.02905	5.5
87.36311	1.4
91.05470	5.5
93.07021	1.9
95.04964	4.6
95.08600	6.4
97.02879	1.4
97.06512	1.9
99.04493	2.3
100.11259	1.8
103.05473	5.4
103.18152	1.4
105.07005	14.1
106.04159	1.6
107.04957	13.5
107.08574	1.6
109.06535	2.6
109.10120	1.7
115.05449	5.7
118.04182	2.0
119.08589	2.7
121.06472	2.6
122.93067	1.3
123.04438	5.7
124.05154	2.6
125.06030	1.6
127.03928	2.7
128.06209	4.4
129.06970	6.3
131.04938	3.9
131.08498	2.7
132.05740	3.4
133.06482	10.7
133.10101	11.0
137.05945	4.3
144.05803	1.8
145.06493	3.3
147.04428	2.8
147.08032	2.6
149.05983	4.4
149.09615	1.7
149.13248	1.5
151.03917	2.9
152.04668	2.2
155.04959	1.5
156.05678	2.0
159.08049	7.5
161.05969	13.8
161.09650	1.8
163.03889	4.1
163.07582	2.2
167.07037	100.0
168.07394	3.4
172.05147	2.2
173.13252	3.9
174.22385	1.3
175.07559	20.6
177.05424	3.9
178.07678	2.1
179.06975	3.0
181.08609	1.8
187.07536	25.9
189.06992	2.4
189.09099	2.2
191.07074	7.9
191.14316	7.1
193.08615	21.3
199.07544	7.3
202.08032	1.7
203.08488	3.4
204.75636	1.5
205.06520	1.5
206.07323	4.5
207.08028	1.8
207.17520	1.4
209.08124	4.3
209.15271	3.0
217.08614	3.9
218.07336	3.0
219.08078	3.6
220.08762	2.6
221.09625	6.3
231.08014	2.4
233.09688	2.5
234.06732	3.3
235.07584	3.3
247.07469	1.9
249.09166	8.0
251.07092	3.0
261.09171	5.1
264.07721	1.8
265.08780	2.1
275.06943	1.6
277.08545	4.2
278.09421	2.5
281.11771	10.6
289.08389	3.5
293.11795	2.2
294.08810	2.5
307.09668	1.4
308.10999	1.5
309.11121	13.2
310.11676	2.2
321.11243	5.8
322.11752	1.7
326.11395	2.8
339.12244	4.2
341.10477	1.8
341.13870	18.2
344.32089	1.5
353.13770	6.0
362.26859	1.6
371.14630	30.6
372.15176	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	371.1478
Annotation	Gliocladinin A
Peak:m/z	Relative Intensity
53.03927	2.3
55.01859	3.2
55.05479	1.8
59.37077	1.6
65.03917	1.9
67.05470	2.6
68.88227	1.7
69.03436	7.4
69.03709	1.6
70.00510	1.7
71.04985	2.0
71.20815	3.9
74.55432	1.4
79.05454	6.5
81.03393	2.8
81.07022	4.4
83.04928	2.0
85.02915	7.9
85.06499	1.9
91.05439	9.4
93.03361	3.1
93.06984	5.2
95.04933	6.4
95.08606	20.2
97.02833	4.1
97.06485	5.1
98.97536	4.1
103.05401	7.3
105.07021	11.3
106.04117	6.1
107.04940	11.0
107.08534	5.3
109.06448	4.2
109.10130	3.2
115.05412	3.7
117.06955	2.0
119.04932	1.9
119.08562	2.6
121.06499	7.7
121.10085	4.1
122.03597	3.7
123.04366	3.8
123.08043	2.3
124.05145	2.2
125.05958	4.0
126.37035	2.2
127.03844	3.8
128.06197	2.7
129.05420	2.8
129.06921	5.0
131.04926	7.5
131.08487	6.9
132.05678	2.5
133.06421	5.4
133.09108	2.3
133.10107	32.5
135.04404	1.9
135.07993	3.6
137.05032	2.0
137.05965	27.4
139.24486	1.6
141.06946	2.3
144.05614	4.3
145.06390	2.3
147.04349	2.6
149.06003	14.9
149.09526	5.8
149.13213	2.0
151.03816	3.2
151.07477	4.5
151.11118	4.6
152.04620	2.3
153.09073	4.9
156.05696	9.5
157.06384	2.0
158.10765	1.9
159.08034	7.8
160.05084	2.1
161.05951	10.1
162.03035	5.4
163.03462	5.5
163.14771	2.2
165.09120	11.3
166.09758	3.3
167.07040	34.2
172.05096	4.9
173.13274	10.9
174.06676	2.6
175.07454	7.1
176.08302	1.8
177.05505	8.7
181.04774	1.8
181.08487	4.2
187.07542	15.4
189.08954	4.0
191.06885	5.1
191.14310	16.3
192.07747	2.3
193.08510	11.9
199.11084	2.8
202.06117	2.2
202.07739	2.1
203.08405	4.2
205.08600	2.1
207.08144	2.1
207.10052	3.6
209.07977	8.6
209.15230	6.1
217.08592	25.8
218.07162	4.7
219.07907	4.3
219.10002	2.4
220.08626	2.5
221.09543	3.7
223.07417	3.3
231.07884	3.9
233.09407	6.5
234.06691	5.3
235.07388	4.5
237.02818	3.2
238.09734	1.8
239.06889	3.8
241.08376	6.2
246.06590	2.7
247.07428	4.1
247.09532	6.6
248.08224	3.2
249.09105	10.0
250.09634	2.8
251.06915	4.5
252.07620	2.3
257.07959	1.9
259.07330	1.8
261.09085	8.0
262.06168	2.1
262.68832	1.7
263.06863	5.1
265.08368	3.9
265.12070	1.6
266.09311	3.5
267.13248	1.9
271.06036	3.4
277.08606	9.5
278.09158	5.6
279.06406	2.2
279.09686	2.5
280.07068	3.0
281.11475	3.8
285.07507	11.1
289.08438	4.2
293.08176	2.0
293.11508	7.6
294.08749	2.2
295.09415	3.9
300.09921	15.8
301.10437	6.4
306.08563	2.5
307.09579	2.2
309.11194	14.9
311.08954	2.1
313.10562	3.7
321.11203	11.3
322.11560	2.3
323.08826	5.0
326.11154	6.3
327.12082	2.1
338.11111	2.0
339.12253	35.2
340.12646	4.2
341.13815	14.9
353.09830	3.2
353.13773	42.6
366.82397	1.7
371.14462	100.0
372.14624	5.1
389.07120	1.5
389.14551	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01962	1.3
53.03922	2.2
55.01862	2.9
55.05497	1.7
56.96560	8.5
57.03421	6.3
58.95892	1.4
61.02921	8.5
69.03427	17.1
70.06580	4.1
70.26716	4.5
70.27127	2.6
70.31731	1.5
71.01321	2.0
71.04979	2.1
73.02928	6.7
73.04741	4.5
74.02448	12.3
79.05487	2.9
81.03406	8.7
83.04960	3.2
84.04487	3.2
84.08133	3.4
84.96037	1.9
85.02900	52.8
87.04459	3.3
88.03963	3.8
89.03909	3.8
91.05817	41.4
93.07034	3.3
94.06564	80.5
95.01314	2.1
95.04974	2.6
97.02892	21.2
97.46315	1.6
98.97588	9.8
98.98454	1.5
99.00819	7.5
99.04436	3.4
100.03444	1.5
101.06012	2.8
103.03954	1.7
103.05456	2.3
104.04976	6.0
107.04923	8.1
107.08536	2.5
109.02863	5.9
110.07130	1.9
111.04422	5.8
111.08073	2.0
114.07359	2.6
115.03922	4.2
116.98601	9.1
118.06532	23.7
119.04941	4.1
120.04456	29.0
121.06509	2.2
122.06010	2.0
123.04461	5.4
123.11668	1.6
127.03920	10.6
128.04245	1.6
128.06996	2.0
128.98622	2.6
129.05482	2.8
130.02917	2.9
130.06529	3.3
131.00142	1.8
132.04430	5.3
132.08070	4.5
132.77203	1.4
133.02840	4.2
134.99626	6.1
135.04391	5.1
135.11745	1.6
136.06137	2.8
136.07571	35.6
137.05951	8.7
139.03835	1.7
145.02817	2.3
145.04944	6.1
146.06010	56.1
146.07921	2.2
146.99615	3.9
147.04390	5.6
147.06490	3.8
149.01257	1.5
150.05499	20.6
151.03915	4.7
151.07567	1.8
153.00804	1.9
156.04440	2.3
158.05984	4.1
158.99669	2.2
160.07585	6.4
161.01187	2.3
161.02292	3.1
161.05923	1.7
163.03911	26.2
163.08675	10.8
164.04247	2.7
164.07047	5.9
167.05550	2.6
167.06961	2.0
170.06003	8.3
174.05502	23.0
176.07300	1.6
177.00735	5.7
178.08597	2.3
179.03383	8.5
179.07088	1.8
184.07562	5.0
186.05565	1.8
188.07054	4.9
189.00693	1.8
190.04990	5.1
192.06549	95.2
193.06827	3.1
196.07590	2.5
197.01205	1.5
198.05479	2.7
198.09071	2.7
203.05193	8.7
208.07533	1.8
209.09209	100.0
210.09378	2.2
212.58221	2.2
216.06613	2.2
218.06667	2.1
219.01752	2.6
225.07951	1.7
226.08693	2.9
227.02335	2.2
233.09196	2.0
234.07632	5.6
237.02893	7.4
244.09650	2.9
250.09430	2.6
251.10222	2.2
254.08098	2.0
262.10757	4.5
264.06363	1.6
266.99945	1.6
268.97784	6.3
270.07648	11.9
280.11850	3.9
285.00888	11.9
297.42123	1.5
298.12790	4.2
299.06247	1.9
300.08655	4.1
303.02029	5.5
317.11371	1.9
318.09668	13.0
335.12296	5.6
336.10803	8.4
353.13513	4.7
355.06885	14.4
356.07050	2.2
371.12598	2.7
371.16827	40.4
371.23758	1.7
373.07846	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	371.1336
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54818	2.0
53.03938	4.5
55.01875	6.5
57.03412	3.1
61.02906	1.7
67.05509	2.2
69.03426	20.6
69.07071	2.0
71.04983	2.4
71.59558	3.2
78.04699	1.8
79.05486	9.9
79.56211	1.8
81.03426	5.3
81.07073	4.8
81.61813	1.8
81.64099	1.9
82.47417	2.2
83.04971	3.1
85.02900	22.2
91.05491	7.7
93.07046	7.9
94.40865	1.8
95.04981	6.5
95.08607	7.9
97.02906	10.3
99.04443	3.0
103.05476	12.3
104.06262	2.0
105.07022	44.3
107.04951	7.7
107.08607	5.6
109.06486	2.7
109.10146	2.8
115.05446	12.3
116.98631	2.4
117.07018	2.1
118.04185	3.0
119.08578	2.3
121.06490	11.2
121.10144	7.0
123.04426	4.9
123.08022	2.9
123.11607	1.9
124.05220	1.9
125.09626	6.3
125.49414	1.8
125.72391	1.6
127.03919	11.0
129.07001	2.1
131.04947	7.8
131.08559	4.4
132.05692	2.5
133.06490	38.7
133.10133	15.0
135.08087	5.8
135.11664	2.6
137.05988	13.7
143.06004	1.9
145.05019	2.7
145.10103	3.5
147.04396	4.1
147.06557	1.8
147.11723	3.2
149.05971	18.8
149.09595	18.3
151.03838	11.0
153.09109	2.2
158.10890	2.6
159.04448	3.3
160.05203	2.1
161.05972	24.1
163.03857	2.1
163.14915	2.3
165.05362	1.7
165.09099	4.9
167.07043	69.4
172.05244	2.4
173.13210	9.2
177.05428	12.8
178.06264	2.0
179.07083	4.4
181.05008	2.3
181.08636	8.1
187.07506	8.9
191.07059	5.7
191.14301	33.7
193.08591	100.0
194.08966	1.8
207.06480	5.2
209.08119	17.8
209.15363	19.6
217.08617	6.9
219.10248	2.9
235.07600	2.8
249.09190	2.4
277.08551	2.2
309.11130	3.7
326.11685	2.8
339.12283	11.3
341.13882	5.8
353.13675	4.5
371.04263	2.3
371.16989	63.2
371.21036	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	371.1126
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03964	3.4
55.01870	21.4
55.05499	6.9
57.07048	3.4
57.89682	2.5
60.29733	2.3
61.89611	2.7
65.03934	7.8
65.21622	2.5
66.01579	2.9
67.05491	6.1
69.03416	4.0
69.87621	16.0
79.05497	16.7
81.03412	4.6
81.07037	11.2
83.04958	3.3
85.02889	3.1
85.06517	3.0
91.05409	12.7
93.03373	4.8
93.07015	9.2
95.04948	7.7
95.08590	4.3
96.02081	2.3
101.05968	5.5
103.05440	3.1
105.07038	14.1
107.04939	22.1
107.08585	6.2
109.06538	2.8
109.10148	6.1
111.04438	14.5
115.05458	7.8
117.07010	6.1
119.04887	3.4
119.08551	5.4
121.06484	7.8
121.10149	4.9
122.03651	4.1
122.28984	2.7
123.04402	7.7
124.05210	5.7
127.03907	4.8
128.06218	6.3
129.05461	4.1
129.06989	13.6
131.04951	7.9
131.08572	8.4
132.05681	3.2
133.06477	12.8
133.10190	5.3
135.04375	5.9
137.05966	53.6
139.03915	5.7
141.06927	4.6
144.05708	10.5
145.06436	10.9
147.04399	11.9
147.06508	9.2
147.08018	3.1
147.11636	3.4
149.05951	5.0
149.09650	3.1
151.03893	6.4
152.04683	3.7
153.05379	4.2
156.05696	12.6
157.06479	7.6
159.08047	15.7
160.05208	3.6
161.05968	20.5
163.03886	3.5
163.07562	3.2
165.06982	10.0
166.07680	5.5
167.07037	100.0
167.08397	4.0
169.06517	3.4
171.04462	2.7
172.05142	5.0
173.05939	7.8
174.06763	9.5
175.07553	21.2
177.05447	6.6
178.07811	6.1
179.08517	4.7
181.06459	8.6
182.07323	3.9
183.08023	3.8
184.05228	3.9
185.05956	3.8
186.06770	2.9
187.07567	34.8
189.05470	17.9
189.06973	5.8
189.09087	9.0
190.07755	4.9
191.06961	7.8
191.08629	7.0
192.05688	3.2
192.07747	3.2
193.06429	4.2
193.10077	3.1
194.07167	6.2
195.07967	4.2
196.05232	4.8
197.05930	2.6
199.07549	6.6
201.05428	10.0
202.06192	9.7
202.07793	4.7
203.08582	7.9
204.09328	2.7
205.06429	7.9
205.08311	3.4
205.10165	3.9
206.07263	6.6
207.08037	9.6
209.05957	5.9
209.07945	3.2
210.06766	10.4
211.07558	6.0
215.06921	6.9
217.06668	3.9
217.08594	39.6
218.07254	11.8
219.08035	8.3
219.10091	5.8
220.05182	4.7
220.08701	3.3
221.06026	13.1
221.09596	8.0
222.06778	9.9
223.07545	8.0
224.08305	5.0
225.09068	5.8
226.06248	5.2
227.06981	7.7
231.07939	5.7
232.08801	4.4
233.06021	6.1
233.09764	13.0
234.04639	2.7
234.06656	15.7
235.07545	18.9
236.08426	5.4
237.05475	10.6
237.09082	7.7
238.06259	5.0
239.07092	17.8
241.08556	10.9
246.06857	5.4
247.07457	4.7
247.09648	12.8
248.04672	3.0
248.08304	6.9
249.05409	10.1
249.09111	23.2
250.06180	7.5
250.10019	3.1
251.07056	13.6
251.10770	3.0
252.07838	17.0
253.08546	15.9
255.06479	10.1
257.08102	4.4
261.09122	16.9
262.06195	3.8
262.09869	3.7
263.07101	27.4
263.09818	4.1
264.07751	8.6
265.05054	8.1
265.08652	17.3
266.06021	4.3
266.09280	12.4
267.06485	7.5
267.09998	6.4
269.08044	5.8
270.08667	4.7
271.06003	4.1
275.06976	3.1
277.05405	4.4
277.08618	16.0
278.06012	2.5
278.09354	12.8
279.06473	8.3
279.10034	4.9
280.07260	13.6
281.08093	21.2
281.11725	13.9
282.08704	2.7
283.06088	5.4
283.09595	2.9
285.07590	30.9
285.10812	4.6
289.08554	9.7
290.09335	3.0
291.06421	9.3
291.09882	4.7
292.07339	5.5
293.08051	19.2
293.11639	15.8
294.08823	7.3
295.06290	2.5
295.09491	14.3
296.10333	2.9
297.07700	3.9
298.07996	3.0
300.09903	33.9
301.10681	10.5
306.08914	5.6
307.06137	3.2
307.09412	8.8
308.06738	4.4
309.07483	22.9
309.11145	21.0
310.04800	2.8
310.08267	7.4
310.11578	3.2
311.09113	5.6
311.12683	5.9
313.10620	11.0
321.11215	22.1
322.08273	10.0
323.09177	45.1
324.09412	4.8
325.10727	5.9
326.11511	10.1
327.12280	6.3
338.11469	3.7
339.08795	3.6
339.12268	37.9
341.10144	78.7
341.13910	21.2
342.10583	3.3
353.10065	10.7
353.13824	36.8
371.14807	64.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2636
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	4.1
55.01873	5.0
55.05512	35.7
57.03434	12.3
57.07067	1.8
58.16022	1.8
59.05004	2.2
67.05505	100.0
69.03429	3.6
69.07076	16.2
71.04989	4.1
71.08640	2.6
79.05496	49.8
79.05954	2.5
81.03429	1.9
81.07058	67.2
83.04964	5.5
83.08629	17.0
85.06556	5.8
87.96569	1.6
91.05483	26.2
93.07050	55.9
95.04952	6.9
95.08611	39.9
97.06519	7.7
97.10165	22.8
98.59566	2.1
99.08084	3.3
105.07030	23.7
107.04937	2.4
107.08596	58.8
109.06511	6.9
109.10152	68.1
111.08072	4.7
113.09615	2.3
117.07010	9.1
119.08587	19.9
121.06520	2.7
121.10145	24.7
123.08067	3.1
123.11697	12.3
125.09637	21.2
131.08556	11.8
133.10139	23.5
135.08025	5.0
135.11711	31.7
137.09621	4.1
139.11201	3.9
143.08560	2.9
145.10117	11.5
147.04424	2.4
147.11690	18.1
149.09673	2.2
149.13275	14.6
151.11177	6.9
152.34995	1.6
153.09033	3.3
159.11731	8.2
161.13275	8.2
163.11128	2.6
163.14844	3.5
169.21976	2.0
171.11691	6.2
173.11765	4.8
173.13278	5.4
175.14861	6.5
177.12805	2.3
179.14294	5.5
181.12373	2.3
185.13293	5.5
187.14857	4.3
189.11189	19.3
189.12700	2.9
193.15857	3.2
195.13811	3.8
199.14827	3.4
201.16412	2.7
205.15900	2.4
207.13931	2.3
207.17540	1.9
227.12782	13.4
231.21115	3.4
231.29175	2.1
235.17140	2.9
241.19504	8.3
245.13884	12.6
250.97733	2.5
259.20560	24.8
277.21637	69.1
277.24731	3.5
278.21976	3.0
351.25302	69.0
357.71506	1.9
369.15930	3.6
369.20392	2.4
369.26324	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	369.2635
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13916	2.4
51.54334	2.3
51.57174	2.3
53.03925	5.8
53.57711	2.3
54.47800	2.1
55.05303	2.0
55.05508	22.6
57.03195	2.4
57.03439	41.5
57.07055	3.4
57.08720	2.3
65.03936	4.6
67.05501	64.8
69.07066	20.8
69.71914	14.1
69.72323	4.4
71.04986	10.5
79.05489	65.9
80.25918	2.5
81.06575	4.9
81.07054	100.0
82.07375	3.4
83.04971	5.6
83.08601	15.4
85.06528	9.3
91.05475	43.8
92.60418	2.4
93.07043	77.8
95.04951	8.9
95.08606	72.4
95.09120	1.6
97.06522	10.5
97.10172	6.3
98.21471	5.0
99.08073	6.8
105.07031	34.8
107.04995	3.0
107.08591	55.9
109.06500	8.7
109.10149	23.2
111.08070	8.0
113.09633	3.1
117.07018	16.4
118.34811	2.4
119.08574	36.3
121.10143	43.5
123.08064	10.0
123.11682	9.0
125.09645	4.8
129.07001	6.8
131.07011	8.9
131.08574	25.3
133.10133	29.6
135.11700	32.9
137.09612	6.7
137.13252	5.8
139.11174	3.0
143.08553	5.3
145.10124	28.5
147.04332	3.2
147.11676	23.7
149.09554	2.3
149.13263	15.2
151.11208	6.2
151.43597	2.3
157.10123	5.5
159.11670	21.1
161.13286	12.1
163.14848	3.9
165.12694	4.1
171.11688	3.1
173.13251	11.6
175.14833	5.2
177.16341	3.4
181.12122	2.6
185.13226	8.0
187.14836	23.1
189.12704	3.6
191.14357	2.7
195.13808	2.6
201.16362	4.0
201.89204	2.5
203.17900	3.9
205.15836	16.6
208.96393	3.4
213.16306	3.2
219.17361	3.6
221.19003	8.1
231.21085	4.4
241.19487	14.3
250.97604	4.5
255.15886	3.1
259.20581	30.6
269.17389	4.4
277.21609	56.6
295.22470	5.5
297.20258	3.5
333.24142	3.5
347.59497	2.7
351.25320	71.8
369.26413	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	369.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	5.6
55.01664	2.9
55.01876	37.1
55.05513	32.1
57.03440	10.3
57.07067	7.1
61.02914	8.2
65.03935	3.6
67.05507	52.4
69.03422	5.7
69.06725	3.4
69.07074	39.8
71.04989	5.2
71.08624	7.7
71.60583	4.9
79.05493	39.6
81.03419	3.5
81.07063	100.0
81.59628	3.0
83.04971	17.7
83.08626	24.1
85.02911	6.8
85.06524	4.3
91.03972	3.8
91.05054	3.0
91.05498	33.8
93.07043	44.8
95.04955	8.3
95.08617	55.4
97.02884	3.5
97.06535	48.2
97.10142	7.5
99.08086	8.3
105.07043	35.2
107.04986	3.9
107.08619	38.6
108.49754	3.9
109.06507	8.5
109.10178	22.1
111.08070	7.7
117.07043	5.4
119.08591	25.7
121.10158	29.9
123.08108	4.7
123.11720	12.4
125.09647	7.4
128.06123	3.6
129.07001	4.0
131.08517	9.4
133.10139	19.2
135.11720	22.6
139.11203	4.1
141.48914	2.9
143.08562	6.2
145.10155	11.2
147.04411	8.9
147.11691	32.8
149.13264	10.9
151.11177	9.8
159.11694	6.9
161.13264	14.1
163.11203	9.1
163.14906	5.3
165.12766	11.8
171.11679	7.7
173.13295	8.1
175.14880	4.9
179.14287	7.7
179.41588	3.0
190.95332	3.2
193.04980	4.7
195.13838	4.1
241.19530	9.1
246.67091	3.9
259.20648	18.6
277.21658	66.2
313.11984	5.8
325.09003	3.3
351.25351	57.3
369.26422	34.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.227
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03912	0.7
53.33046	0.5
55.01860	5.3
55.05505	5.4
56.96558	1.1
57.03436	3.4
57.07048	0.8
67.05500	6.1
69.03419	0.7
69.07068	4.2
69.96852	1.9
69.97267	1.4
71.04990	0.8
79.05492	5.3
81.07053	26.5
82.07394	0.5
83.04966	2.5
83.08637	2.8
84.79707	0.5
85.06509	0.6
88.54936	0.5
91.05474	4.9
93.07033	5.9
95.04971	0.9
95.08606	6.9
97.06543	1.8
101.09682	0.6
105.07024	4.2
107.04916	0.5
107.08573	5.8
109.06507	9.3
109.10171	3.2
111.04436	17.6
111.08081	1.4
119.08572	4.9
121.06438	0.7
121.10143	4.2
123.08074	1.9
123.11697	2.3
125.05176	0.6
125.06000	6.2
125.09593	0.8
131.08554	2.4
133.10107	5.1
135.08006	3.0
135.11678	4.9
137.05969	100.0
137.09531	1.3
137.13260	2.0
138.06305	1.9
138.13606	0.5
139.07536	0.9
143.08545	1.8
145.10118	1.8
147.04416	3.6
147.08032	2.2
147.11678	6.2
149.09604	3.6
149.13223	1.7
151.07576	2.9
151.11192	1.5
151.21756	0.5
157.10149	1.8
159.11658	0.8
161.09625	7.4
161.13249	2.3
162.03000	0.7
162.65637	0.5
163.03885	0.8
163.11177	3.5
163.14821	0.6
165.09116	1.9
167.10667	0.8
171.11705	1.6
173.09579	0.6
175.11185	4.9
175.14810	1.3
177.09096	0.8
177.12766	0.5
179.10696	2.2
181.12212	0.8
185.13071	0.6
189.12727	1.7
190.95424	1.6
193.12215	1.3
195.11661	0.6
197.13184	0.6
203.17926	5.9
207.13776	0.9
208.96466	1.4
213.16373	2.5
215.10799	0.6
221.19014	2.1
229.06206	0.7
231.17436	9.8
232.96452	1.5
241.15817	1.3
249.18497	10.5
250.97485	1.5
277.17978	56.0
278.18265	2.2
292.99527	0.5
295.19040	26.1
296.19443	1.6
348.49716	0.5
351.21652	13.1
351.25818	1.1
352.21936	0.7
369.12997	1.6
369.22708	8.2
370.23499	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1518
Annotation	Drosopterin
Peak:m/z	Relative Intensity
69.72961	1.6
74.51719	0.3
89.03949	0.4
135.04353	0.3
137.82733	0.3
146.80977	0.3
149.09634	0.3
163.03906	2.0
170.18640	0.3
189.08852	9.9
203.05269	4.9
207.09935	1.6
216.36287	0.3
369.15192	100.0
370.15475	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1518
Annotation	Drosopterin
Peak:m/z	Relative Intensity
52.73580	0.4
52.96865	0.5
55.05502	0.7
67.05527	0.6
69.03432	1.2
69.07077	0.6
69.27043	5.1
71.04994	0.9
80.25943	0.5
81.03419	0.8
81.07004	0.5
85.02904	1.2
91.05486	1.0
93.07023	0.7
95.04942	0.4
95.08570	0.5
97.02861	1.1
97.46652	0.4
99.04469	0.6
99.08072	1.0
105.07027	2.2
107.08586	0.9
109.02863	0.5
113.09629	0.4
119.04924	1.1
119.08574	2.0
121.06535	0.5
121.10108	0.9
127.03907	0.4
131.08611	2.0
133.06458	0.5
133.10103	1.4
135.08124	0.6
137.05946	2.1
137.09599	0.5
143.08534	0.5
145.10103	1.2
147.04396	1.0
147.11665	0.7
149.06042	0.5
149.09615	1.4
156.27097	0.4
161.05962	0.4
161.13243	0.8
162.03119	2.1
163.07578	0.6
165.08968	0.4
171.11729	0.7
173.13248	0.9
175.03963	0.8
177.05630	0.5
179.90936	0.4
185.04237	4.9
187.07521	1.0
189.07233	0.8
189.08842	3.4
189.12727	3.5
198.25508	0.4
203.05249	5.5
207.06470	2.6
207.09941	4.2
207.13834	1.7
219.10277	0.6
225.01636	0.4
236.37485	0.4
237.02737	0.7
244.70494	0.4
249.09126	0.5
265.08887	0.5
277.08594	0.7
283.83319	0.4
290.74045	0.4
292.10968	0.5
307.09714	0.6
337.10870	1.0
369.15216	100.0
370.15518	5.4
388.94656	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1333
Annotation	10-Demethoxystegane
Peak:m/z	Relative Intensity
52.09018	1.8
65.03940	14.5
65.81370	2.0
67.05495	3.1
70.29002	6.8
76.11755	1.9
81.03397	2.7
81.07040	5.7
82.04189	3.4
85.02862	4.9
91.05468	8.7
93.03366	3.3
94.06078	1.7
95.04948	7.6
95.08577	3.4
98.20761	2.3
105.07037	2.6
107.04915	5.4
108.02065	3.2
110.03634	7.4
111.04436	15.7
115.05433	4.7
117.07018	3.5
119.04931	3.6
119.08525	2.3
123.04400	7.6
125.05968	8.6
127.11178	2.1
128.06194	6.7
132.05659	4.0
137.05945	5.9
145.06451	2.7
146.07260	2.0
147.04417	3.5
147.08031	3.1
153.05476	31.7
159.08115	3.4
160.05202	2.7
161.06001	4.0
163.03886	2.8
165.06955	4.0
167.07053	4.1
169.06444	4.1
171.04472	1.9
172.27464	2.1
175.03938	5.0
175.07549	18.1
178.07767	4.5
179.08492	2.4
180.05629	2.5
183.06628	4.3
184.05179	7.5
185.05980	7.3
186.06824	2.9
187.07610	2.7
189.07011	4.2
190.07745	4.4
191.08588	7.6
195.07980	3.9
199.07530	78.6
199.09386	4.7
200.08159	2.4
202.07753	3.1
203.08546	6.8
205.06483	6.7
206.07217	3.7
207.06497	12.4
207.08142	5.9
208.05170	33.2
208.08734	4.0
209.05824	2.5
210.06714	4.2
211.03995	1.9
211.07452	2.3
216.07858	11.8
217.06502	2.4
218.07204	9.7
219.08054	23.6
220.08806	8.9
221.06004	7.6
221.09630	4.7
223.07680	2.5
224.04614	2.2
224.08270	3.7
225.05562	2.8
225.09177	2.3
226.06261	2.6
229.08585	4.9
230.07216	2.4
231.08043	8.9
232.08759	3.6
233.05963	4.5
233.09541	4.0
234.06734	10.7
235.07492	12.6
236.04623	5.3
236.08278	15.3
237.09305	4.6
238.06311	2.4
239.07071	7.4
240.04094	5.2
242.05672	2.5
246.06789	6.2
247.07533	33.5
248.08226	11.0
249.05566	2.4
249.09059	12.8
250.06239	5.3
250.09737	3.3
251.06987	4.5
251.10651	22.0
252.07875	4.7
253.05319	2.5
253.08452	5.3
254.05708	6.7
255.06548	4.2
257.04379	3.2
259.07565	4.4
260.08279	2.7
261.05539	4.3
261.09113	6.1
262.06253	4.8
263.06989	12.3
263.10471	4.4
264.07755	22.6
265.08615	16.4
266.09280	3.1
267.10019	3.8
268.03726	3.5
269.08078	20.1
272.06723	2.9
273.05426	2.2
274.06110	3.1
275.06973	16.8
276.07864	10.6
277.08524	24.7
278.06033	4.5
278.09296	8.8
279.06830	4.3
279.10187	17.2
280.07254	5.4
280.10464	2.4
281.08096	8.5
281.11481	4.2
282.05255	3.2
285.07559	15.5
285.10834	3.8
287.09262	3.1
290.06274	2.8
290.09268	12.8
291.06949	3.7
291.10141	15.9
292.07339	10.0
292.10214	2.2
293.08090	15.9
294.08762	7.2
295.06207	2.7
295.09644	7.6
297.07571	3.3
298.08682	2.3
300.06589	3.3
300.09848	12.4
304.07278	7.3
305.07953	11.7
306.08871	6.5
307.09579	51.3
308.07056	3.4
308.10089	12.7
309.07599	8.4
309.11139	13.7
310.08386	2.2
310.11865	2.6
311.09259	2.8
311.12714	31.3
313.10651	11.7
315.08597	85.1
316.09116	4.2
318.08917	9.9
319.09592	10.0
320.10559	5.0
321.07523	5.3
321.11237	7.1
323.09097	17.9
323.12833	6.9
324.09863	19.1
325.10645	7.0
336.09909	12.3
337.07101	3.3
337.10623	20.7
338.11447	19.1
339.08655	3.9
339.12238	70.8
340.12759	3.8
341.13858	5.7
351.12262	40.0
352.12817	3.8
354.10907	3.4
369.13300	100.0
370.13620	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	369.0947
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44555	3.1
56.96544	7.8
57.03418	4.7
69.03430	6.0
69.83822	16.9
69.84234	5.6
70.54410	3.3
73.02898	10.0
85.02897	11.2
91.05387	3.6
98.20834	4.3
98.97588	14.0
112.99191	4.0
116.98588	7.5
119.01884	3.6
131.00217	6.1
143.00169	5.8
146.99681	5.9
158.99640	4.2
161.01312	7.4
164.05511	3.4
181.32191	3.3
189.00705	3.9
207.01764	10.8
219.01781	11.5
237.02846	7.3
249.02753	6.0
260.49707	3.5
263.00751	3.2
267.03860	5.1
269.05521	4.3
272.06601	9.3
275.04089	4.0
279.03830	6.9
281.07098	4.0
288.07764	9.0
369.09467	100.0
370.09656	6.4
373.96234	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1332
Annotation	10-Demethoxystegane
Peak:m/z	Relative Intensity
53.03948	1.6
65.03937	14.1
67.05495	4.6
71.09574	4.4
73.09418	2.1
78.57416	1.6
79.05466	2.7
81.03408	2.0
81.50058	1.9
82.04201	3.2
88.51227	2.0
91.05475	6.3
93.03407	4.1
95.01286	2.1
95.04973	6.0
105.07031	4.0
107.04942	4.7
110.03691	11.9
111.04459	17.4
115.05482	4.2
117.06993	2.4
119.04933	4.0
119.08588	5.7
123.04411	5.7
125.05991	12.6
128.06219	4.5
129.06981	2.2
131.04874	2.0
132.05775	2.5
132.77237	2.0
133.06477	3.5
137.06006	2.7
138.03143	2.1
141.06976	2.7
143.08502	4.2
145.06477	4.4
147.04434	5.1
147.08031	4.4
148.12134	2.1
153.05472	33.0
156.05701	4.1
159.08041	5.8
160.05217	2.3
161.05954	3.1
163.03900	2.9
165.06982	2.3
167.07043	4.2
169.05127	2.5
169.06511	6.9
171.04407	2.3
171.07967	2.0
175.03923	6.3
175.07547	22.4
178.07805	2.5
179.08548	3.8
181.04834	2.4
181.06403	2.2
183.06522	11.6
184.05267	9.8
185.05992	8.1
186.06744	4.2
187.07603	2.2
189.07019	3.4
190.07756	2.0
191.08681	4.4
198.06691	3.4
199.07545	100.0
200.08092	4.7
205.06549	3.4
207.06508	13.4
207.08107	4.4
208.08817	3.7
214.06119	2.9
215.06848	1.9
216.07809	16.0
217.08392	1.9
218.07263	6.8
219.08119	13.5
220.08795	7.6
221.05965	6.4
223.07632	2.9
229.08540	9.4
233.06143	2.2
234.06805	4.5
235.07503	11.4
236.08344	14.6
239.07173	1.9
246.06825	3.1
247.07484	9.9
248.08412	2.4
249.05408	3.9
249.09070	6.2
250.09814	3.7
251.10678	22.6
253.08754	2.0
263.07062	10.5
264.07785	24.1
265.08560	8.1
266.09558	2.4
276.07785	3.4
277.08563	7.2
278.09430	7.7
279.10184	14.7
280.10461	3.6
281.08124	9.0
291.10168	3.8
292.07190	4.4
293.08154	6.1
294.08795	3.0
296.10379	3.5
307.09659	40.2
308.10364	7.5
309.11142	4.1
311.12708	33.5
319.09631	4.2
322.08438	3.0
324.10156	9.7
337.10684	14.0
338.11356	2.7
339.08289	4.0
339.12296	68.9
340.12698	3.8
341.13837	2.8
351.11938	4.5
369.13272	21.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41150	0.9
53.67960	1.0
55.05510	2.1
56.96568	1.1
57.03432	2.5
59.04997	2.8
61.02921	1.8
67.05495	3.4
69.03427	3.6
69.07053	6.1
71.04996	2.2
71.39582	1.1
73.02921	2.1
79.05492	1.9
81.03403	1.8
81.07059	5.3
83.04992	1.0
85.02903	22.0
91.03959	2.0
91.05491	2.5
93.07037	20.8
95.04992	1.3
95.08602	15.2
97.02882	3.9
97.06521	10.4
98.97568	1.3
99.04433	1.5
105.07008	1.3
105.12468	1.2
107.08595	28.5
109.02925	1.7
109.06499	1.1
109.10152	19.0
110.07187	4.2
111.08076	1.6
119.08553	1.3
120.08136	1.3
127.03912	6.4
135.11687	77.4
136.07639	1.1
136.12010	2.8
145.04953	11.8
153.12738	100.0
154.13130	4.0
163.06030	9.8
163.07433	2.2
171.13786	11.3
180.08611	1.5
198.09763	2.0
237.02887	1.2
270.36508	1.1
284.10022	1.2
297.17020	1.6
318.11243	1.1
369.14999	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	368.2431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.4
54.05989	1.2
55.01873	2.0
55.05508	16.9
57.03432	1.5
57.07052	1.3
58.06597	3.5
60.04528	16.9
67.05505	14.0
67.60998	1.3
69.03416	4.0
69.07064	9.4
69.59782	10.2
70.06593	1.6
71.04996	7.8
79.05493	15.0
81.03394	1.7
81.07060	12.7
83.04961	1.7
83.08617	8.1
84.08148	6.1
85.06551	3.4
85.08865	1.2
86.09703	20.1
88.07601	3.5
91.05486	8.0
93.07040	11.2
94.06573	1.3
95.04972	5.1
95.08610	6.7
96.08100	2.1
97.06528	1.7
97.10164	14.5
98.21472	2.2
100.07603	2.1
104.15476	1.3
105.07029	8.1
107.04968	2.3
107.08578	7.4
108.08128	1.6
109.06504	3.1
109.10115	1.9
110.06041	2.4
112.07599	21.5
113.06068	1.4
114.09154	1.3
115.05487	1.2
117.02565	1.3
117.07022	2.5
119.08574	5.4
121.10139	5.7
122.09679	5.7
123.08070	4.4
124.25167	1.3
125.09628	10.4
128.10727	21.5
129.07002	1.4
130.08611	1.5
131.08539	2.7
133.10141	3.4
135.08022	3.8
135.11737	2.4
136.11259	1.3
137.09563	1.6
138.12758	4.0
147.04417	4.8
147.08159	1.5
147.11664	1.5
149.06015	1.8
154.08617	8.7
159.11751	3.0
161.09674	1.7
172.09660	8.5
177.05476	2.7
177.12706	3.0
180.13860	10.7
187.11217	2.4
189.11182	9.0
207.06499	2.1
217.15802	1.9
221.15289	3.3
223.13368	3.0
232.96548	1.3
240.13824	1.2
250.97635	1.8
272.20139	1.6
273.18414	3.6
290.21161	9.4
291.19608	6.0
305.04987	1.1
308.22226	10.0
309.17319	2.1
327.18430	2.7
337.10855	2.8
342.12915	1.3
345.19421	3.6
350.23267	14.7
368.24329	100.0
369.08817	1.9
369.12979	9.1
369.24677	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	367.263
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	6.9
55.05505	20.3
57.03430	3.7
57.07061	8.6
58.53271	3.0
65.03935	4.9
67.05502	30.6
69.03422	10.6
69.06772	3.0
69.07071	29.2
69.33823	34.2
71.04984	6.8
79.05132	3.2
79.05494	37.6
81.07056	60.4
83.04984	3.9
83.08605	10.3
85.06548	3.1
86.35153	3.0
91.05474	56.4
93.07044	85.3
95.04964	35.1
95.08600	56.8
97.06515	13.6
103.05464	3.9
105.07027	93.8
105.89172	2.8
107.04955	9.6
107.08595	61.8
109.06515	15.4
109.10149	43.6
111.08077	6.5
115.05457	7.3
116.06296	3.6
117.07029	20.4
117.07723	3.5
119.08577	100.0
121.06483	14.4
121.10130	52.7
123.08071	5.8
123.11722	17.0
128.06219	14.2
129.06975	15.5
130.07776	12.3
131.08559	68.1
133.10127	64.2
135.08061	19.7
135.11688	27.9
137.09596	6.5
137.13275	4.0
141.06963	6.2
142.07790	21.5
143.08556	41.5
144.09325	12.6
145.06485	4.6
145.10117	67.1
146.07234	6.9
147.08044	11.9
147.11687	27.9
149.09631	22.1
149.13284	4.4
155.08543	14.4
156.09366	16.2
157.10121	53.4
158.10841	8.5
159.08044	5.8
159.11690	37.6
161.09616	43.4
161.13235	11.8
163.11205	4.1
165.06984	4.9
167.08585	5.9
168.09384	4.3
169.10178	17.7
170.10886	6.2
171.07968	3.9
171.11690	27.4
172.12494	4.1
173.09578	7.5
173.13254	22.1
175.11205	9.2
175.14825	18.3
177.05417	3.8
179.08554	12.7
181.10159	9.3
182.10890	7.6
183.11688	23.6
185.09674	3.6
185.13266	19.0
187.11119	4.8
187.14764	16.2
189.12769	5.8
193.10147	5.0
194.10851	7.1
195.11679	13.9
197.13210	23.8
199.11139	6.6
199.14818	16.9
201.12787	7.6
201.16391	6.4
209.13232	25.7
210.14003	6.2
211.14861	10.1
213.12672	6.8
215.14284	4.5
219.17453	4.1
221.13393	4.3
223.14912	5.4
224.15674	3.9
225.16414	6.6
227.14302	18.2
237.16231	4.7
239.17944	8.0
243.09071	3.4
251.17917	5.7
253.19333	4.0
255.17497	7.9
257.18909	3.7
263.17825	3.2
265.19461	5.4
269.18909	5.4
293.18851	4.9
316.92542	3.1
349.25232	11.5
367.22260	6.7
367.23468	3.7
367.26572	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	367.2477
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.7
55.01855	7.6
55.05507	19.9
56.96560	3.7
57.03194	2.1
57.03438	32.1
57.07061	2.4
62.09538	2.0
65.03935	2.1
67.05169	3.9
67.05502	46.4
68.05840	3.0
69.03420	3.2
69.07072	18.4
71.04980	5.4
71.07109	5.3
71.08627	3.2
79.05490	53.6
81.07055	59.0
83.04971	6.0
83.08614	12.8
85.06563	13.3
91.05485	57.0
93.06467	4.1
93.07040	59.1
93.07619	3.2
94.67386	2.1
95.04961	9.9
95.08051	3.8
95.08606	47.4
97.06503	11.0
97.10152	6.5
99.08087	10.4
105.07027	62.8
107.04930	6.2
107.08595	48.0
109.06499	12.7
109.10157	19.6
111.08092	9.1
113.05967	2.3
117.07012	19.0
119.04968	4.2
119.08577	40.8
121.06481	4.2
121.10139	22.8
123.08043	8.8
123.11684	2.5
125.09597	5.1
127.69971	2.6
128.06227	2.7
129.05521	3.4
129.07034	15.1
131.07028	8.1
131.08563	34.1
133.10118	28.1
135.08012	3.8
135.11665	10.2
137.09579	6.3
139.92215	2.3
141.07074	2.7
143.08553	16.0
145.10110	29.9
147.04390	7.8
147.11681	25.0
149.09598	16.9
149.13200	2.6
151.11121	4.2
155.08411	2.5
157.10150	12.3
159.11679	41.7
161.13307	11.3
163.03882	2.5
163.11168	8.2
165.12692	4.4
169.10121	6.3
171.11568	3.8
173.13274	12.9
175.14816	6.6
177.12788	3.5
183.11725	6.7
185.13243	34.8
187.14813	4.5
189.11230	3.3
191.14320	4.6
191.18042	2.6
197.13313	5.2
201.16386	7.1
203.14304	24.3
205.15883	7.7
211.14818	3.3
219.17424	33.1
220.17841	2.5
221.15370	3.2
229.19617	2.3
232.70976	2.3
239.18024	15.9
247.20595	2.5
257.19006	35.2
275.20068	100.0
293.21057	15.1
293.99780	2.4
295.19019	2.3
349.16895	3.8
349.23761	82.5
350.23776	2.7
367.17819	5.4
367.24753	24.1
373.10278	2.5
385.18362	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	367.2466
Annotation	15-epi-Sibiricinone E
Peak:m/z	Relative Intensity
55.05495	1.8
55.50270	0.7
56.96555	2.0
57.03423	0.7
58.34721	0.6
59.05010	0.7
67.05505	2.9
67.28172	0.6
69.07050	2.6
71.59622	1.1
76.12003	0.6
79.05491	2.8
81.07056	4.3
88.85153	0.7
91.05480	2.1
93.07036	2.3
95.08594	1.6
97.06503	0.7
105.07022	2.2
107.08607	3.2
109.06468	1.2
109.10122	2.6
111.27593	0.6
119.08553	0.7
120.25069	0.6
121.10130	1.3
124.33620	0.6
124.41287	0.7
131.08580	1.0
131.34026	0.6
133.10133	1.2
135.08037	0.7
135.11664	1.3
145.10155	0.7
147.04381	4.1
149.96577	0.6
171.11668	0.8
179.22168	0.7
197.29732	0.8
213.03992	0.6
239.02342	1.1
257.03262	1.0
267.14499	2.1
275.20096	2.4
278.18195	0.7
285.15344	1.6
293.21136	1.0
331.18173	0.6
335.20624	1.7
349.23526	1.7
349.27438	1.0
367.11697	1.8
367.24561	100.0
368.24878	6.9
385.24353	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	367.2268
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	5.8
56.53840	0.9
57.07080	1.8
65.03928	1.3
66.13193	0.8
67.05507	8.0
69.07069	5.1
70.45150	2.3
71.24538	0.8
79.05489	6.2
81.07056	28.1
83.08620	2.7
90.86698	0.9
91.05479	17.6
91.06010	1.4
93.07045	11.7
95.04947	1.6
95.08042	1.7
95.08610	20.3
97.10181	1.0
98.21414	1.2
105.07030	32.0
107.04948	3.2
107.08595	29.9
109.06548	1.5
109.10154	15.3
117.07047	1.2
119.04939	22.6
119.08579	29.9
121.10131	12.2
123.08106	0.9
123.11713	3.6
131.08580	2.6
133.06459	0.9
133.10136	17.2
135.11739	6.2
145.10156	3.1
146.10849	0.9
147.04408	100.0
147.11690	26.5
159.11673	1.6
161.13222	5.9
165.05466	1.8
175.14862	2.3
185.09657	1.7
199.11275	0.9
202.92607	0.8
203.16000	1.9
203.17950	40.7
231.74385	0.8
277.13867	2.5
309.75067	0.9
321.22098	1.1
349.27612	0.9
367.22733	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2454
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	1.2
56.96564	2.2
57.03419	1.4
63.50761	0.7
67.05499	4.5
69.07063	1.6
70.96611	1.9
71.04989	1.0
73.44027	0.7
79.05497	2.5
81.07050	4.8
91.05470	3.1
93.07047	4.8
95.04968	1.4
95.08615	3.8
98.20760	0.8
100.35239	0.7
105.07010	2.4
107.04976	0.9
107.07967	0.7
107.08582	4.4
109.06493	0.8
109.10135	2.6
117.06995	1.1
119.04960	1.1
119.08577	1.2
121.10117	1.2
123.31256	0.7
128.53717	0.7
131.08537	1.4
133.10133	1.2
135.11661	1.8
145.10107	1.1
147.04410	5.6
147.11710	1.1
151.11111	0.7
157.10159	1.0
163.03941	1.3
195.09908	1.1
213.04372	1.4
213.09740	1.1
219.10745	0.7
231.10730	3.6
239.02061	1.2
257.03369	1.7
275.20068	1.3
289.42932	0.7
293.21130	1.2
317.19519	0.9
335.20630	2.3
349.23547	1.1
367.24539	100.0
368.24905	3.4
385.24112	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1753
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49403	0.9
53.03934	3.9
54.36946	1.0
55.01871	3.3
55.05507	3.2
55.68508	1.0
56.96572	1.9
57.03437	2.8
59.04991	2.5
65.03948	1.0
67.05503	7.7
67.34579	1.1
69.03426	14.9
69.07065	9.2
70.06589	5.8
71.04994	2.0
71.59096	1.3
73.02931	1.8
79.05486	14.0
81.03413	15.7
81.07054	8.5
83.04984	1.2
85.02901	8.1
85.06532	1.9
88.07627	4.5
91.05482	10.9
93.07048	13.8
95.04959	3.5
95.08604	5.6
97.02889	5.1
97.06529	70.5
98.06879	1.2
99.04463	2.8
102.09172	1.6
103.05479	3.9
105.07030	100.0
106.07362	1.7
107.04939	2.2
107.08573	8.5
109.02872	4.6
109.06514	10.5
109.10150	3.1
111.04479	1.3
111.08014	1.2
117.07024	4.8
119.04954	3.2
119.08578	11.2
120.08072	1.4
121.06504	7.0
121.10143	3.8
123.04427	1.4
127.03925	4.9
129.07033	2.6
131.08586	7.1
133.06483	17.5
133.10133	5.0
135.04405	1.8
135.08043	2.4
135.11678	13.5
137.05960	2.7
143.08540	1.6
144.09354	2.7
145.06464	1.3
145.10146	5.6
147.04382	3.6
147.08054	2.3
147.11699	2.2
149.01262	2.1
149.02354	14.3
149.09586	1.7
150.02684	9.0
151.07541	5.6
157.06516	1.1
159.08061	2.6
159.11690	23.8
161.09637	4.6
161.13319	4.8
163.03888	4.0
163.07553	1.8
163.11165	3.5
171.11681	1.3
172.08762	1.5
172.83232	1.1
177.00742	1.5
177.12743	27.9
177.14232	1.6
180.07843	1.5
183.08083	2.8
187.11153	8.4
189.09193	1.8
193.04970	13.5
194.05305	14.9
200.20096	5.5
201.20456	9.3
204.10213	4.9
205.12206	18.4
213.12767	1.2
235.07523	1.6
255.14037	1.4
269.17792	1.4
275.20010	3.2
277.10764	8.6
292.07242	1.3
307.09558	3.0
312.09497	1.4
321.09839	3.2
332.60620	1.3
335.09134	3.1
349.16660	6.3
349.23709	1.8
367.11676	5.9
367.15707	2.0
367.17371	3.6
367.22949	34.4
368.12210	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2268
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	6.3
57.07071	1.7
57.65799	0.6
65.03931	1.1
67.05504	10.4
68.25558	0.6
69.07066	6.5
70.11549	3.4
71.08632	1.9
79.05492	6.1
81.06577	1.3
81.07056	25.9
83.08615	3.0
91.05479	16.6
91.05997	0.5
93.07048	13.6
95.04957	1.6
95.08606	24.9
96.08919	0.8
97.10179	1.4
99.08084	1.5
105.07028	33.0
106.07359	0.8
106.18125	0.7
107.04961	3.2
107.08592	20.0
109.06489	1.0
109.10152	21.4
117.06982	0.9
119.04940	24.5
119.08575	28.5
120.05215	0.6
121.06525	1.0
121.10150	11.5
123.08075	3.0
123.11727	4.0
131.08531	1.7
133.10121	19.4
135.08041	0.7
135.11684	6.1
137.13202	1.1
145.10130	2.3
147.04405	100.0
147.11678	22.6
148.04742	0.9
149.09642	0.9
149.13217	1.1
153.12762	0.7
157.10138	0.8
159.11705	1.6
161.13240	8.8
161.14464	1.2
165.05455	2.2
175.14796	2.9
177.05507	1.7
179.14243	3.0
183.08061	0.6
184.40152	0.6
185.09683	1.7
185.13190	0.7
197.09532	1.0
199.11194	1.2
203.17961	34.1
210.81937	0.7
251.05411	0.8
251.20006	1.2
293.21085	0.8
303.26855	1.5
321.22131	1.3
321.27774	0.8
331.26297	5.6
347.17114	2.4
349.27365	11.0
367.22586	5.5
367.26981	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1154
Annotation	Derrubone
Peak:m/z	Relative Intensity
56.96553	1.0
58.06596	5.3
60.04509	1.4
61.78755	0.7
63.77134	0.7
67.05478	0.7
69.03429	0.9
69.07087	0.7
71.58608	1.0
77.73356	0.7
81.07072	1.3
85.02895	1.2
93.07011	2.0
94.07368	0.7
95.08581	1.0
97.02869	1.3
98.97545	1.3
101.56292	0.9
107.08550	0.8
115.07787	0.9
116.98583	1.1
149.09584	1.3
151.11188	0.9
163.03891	1.5
187.11142	0.7
191.99274	0.8
234.38600	0.7
237.02768	2.6
238.02882	0.8
241.07655	1.0
327.14700	2.0
367.11487	100.0
367.28738	1.7
368.11862	6.2
385.11569	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	367.1023
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16898	0.7
53.03937	1.0
55.01865	3.3
55.05503	1.0
57.03418	2.8
66.82719	0.8
67.05499	1.7
69.03439	3.8
69.07069	1.2
69.83674	4.9
71.04979	2.8
79.05492	1.4
81.03407	3.7
81.07053	4.8
82.07371	1.0
83.04939	1.0
83.08650	0.9
85.02910	6.1
86.09715	1.2
91.05466	3.1
93.07034	1.6
95.01328	23.9
95.04957	1.9
97.02888	2.4
99.04443	1.1
103.05451	4.7
105.07026	8.8
107.04943	3.5
107.08588	1.7
109.02901	1.0
109.10171	1.6
111.04424	1.7
113.02367	9.3
115.05459	5.2
117.07017	3.9
118.04184	1.7
119.04948	0.7
119.08569	1.3
121.06493	1.0
123.04420	1.2
123.11690	6.7
124.12035	6.1
127.03927	2.4
128.06235	5.2
129.06975	2.8
130.04152	0.9
131.04935	7.8
132.05727	1.3
133.06490	7.4
135.04451	1.4
137.05995	1.1
139.03905	1.2
141.07007	2.4
143.04910	1.0
143.08575	1.7
144.05692	1.5
145.06479	5.8
146.03549	0.9
147.04382	2.8
147.08078	1.4
147.09169	5.9
148.05196	3.7
149.05948	1.4
151.03906	0.9
151.11156	2.2
152.04657	0.9
152.06197	2.0
152.11610	1.3
153.05682	0.9
153.06972	3.5
155.04924	1.1
155.06029	1.1
156.05705	2.3
157.06496	4.6
159.04430	2.3
159.08150	0.8
160.05161	1.4
161.05992	11.2
162.03044	0.9
163.03934	2.1
163.07545	0.9
165.05441	1.9
167.07048	17.9
169.06488	3.0
169.12285	3.8
170.07213	1.4
170.12589	2.4
171.04364	1.3
171.08040	7.8
172.05234	2.8
173.05946	7.9
174.06715	1.4
174.78072	0.7
175.07516	1.8
176.04723	4.7
177.05449	4.9
178.06248	2.5
179.07054	0.9
181.05020	1.4
181.06465	4.8
183.04480	1.1
184.05161	3.5
185.05960	2.9
187.03914	1.4
187.07533	3.8
187.13315	4.4
188.04657	0.7
189.05466	2.9
190.02621	0.9
190.06265	2.8
191.07062	9.1
192.07710	1.8
193.08615	16.9
194.05759	2.9
195.06529	2.0
197.06030	1.0
198.06760	3.0
199.07535	10.4
200.04784	1.6
201.05391	4.0
203.07034	2.1
205.05086	1.0
205.08543	4.4
205.14256	1.1
207.06544	2.6
207.10120	1.1
209.06171	1.5
209.08075	7.5
212.04675	3.2
213.05466	2.3
215.07019	2.6
216.07851	1.4
217.04967	0.9
217.08638	2.8
218.05705	2.1
219.06546	2.9
220.07137	0.9
221.08104	2.5
223.06041	2.1
226.06189	1.3
227.07022	14.0
228.07477	1.0
229.04996	1.8
231.06586	1.2
231.10106	3.4
233.08145	6.8
235.09682	1.0
237.07574	2.1
239.09079	1.1
243.06682	1.0
244.07358	2.2
245.04445	1.5
245.08101	3.5
247.09634	1.3
249.07635	2.7
251.09209	2.7
255.06607	1.0
257.07938	0.8
259.09683	6.1
261.07608	6.8
267.08496	1.0
275.09164	1.2
277.10684	2.9
279.08658	2.5
281.14954	10.9
287.09131	1.9
289.07083	1.0
293.10205	2.0
294.73160	0.8
305.10220	11.4
307.08334	1.3
307.55142	0.9
323.11243	100.0
324.11615	4.6
339.10806	6.4
349.09265	1.3
350.13568	2.0
367.10089	2.8
367.13852	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	367.0999
Annotation	Unknow
Peak:m/z	Relative Intensity
56.69619	0.8
59.13302	0.8
69.91371	4.1
77.80625	0.8
80.40614	0.8
83.30290	0.8
87.14607	0.9
87.28428	0.8
91.45950	0.8
96.57296	0.8
96.84717	0.7
97.17944	0.9
97.75243	0.8
98.20782	1.1
98.97590	1.1
119.01876	1.3
131.00166	0.8
146.99805	0.8
149.01308	1.1
157.03441	0.9
161.02888	0.9
241.91205	0.7
253.07599	1.2
277.07880	0.8
279.09430	1.5
286.11880	0.9
307.08646	0.8
325.10129	1.3
354.09970	0.9
367.10016	100.0
368.10263	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	366.118
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01838	0.3
56.05028	0.7
57.03424	0.3
60.04515	0.7
69.03423	0.6
69.07056	0.3
70.52444	0.9
73.02905	0.4
79.05471	1.0
81.03397	0.7
84.04500	27.0
84.66970	0.3
85.02901	5.7
89.03910	4.7
91.05444	0.3
92.05897	0.3
96.04492	0.3
97.02891	0.7
98.20787	0.4
103.03919	0.6
107.04961	1.8
109.02859	1.2
117.03371	6.5
126.05504	6.5
127.03908	1.4
135.04408	15.6
136.04781	0.4
137.05937	1.0
144.06554	0.5
145.02832	11.1
145.04767	0.5
150.05521	0.5
163.03893	100.0
164.04214	3.3
181.04968	0.3
186.05925	0.4
186.07597	4.0
202.94859	0.3
204.08655	12.1
205.08954	0.3
223.06065	0.9
258.87149	0.4
265.07059	0.5
307.73398	0.3
348.10245	0.4
366.11752	3.5
366.16089	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.212
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	3.4
55.05475	2.2
57.03429	2.2
58.06580	7.1
59.04993	13.1
60.04516	14.0
61.02916	3.7
67.05489	9.3
69.03426	10.4
69.07051	3.8
71.04052	5.1
71.04998	9.8
74.06071	2.9
79.05476	4.9
81.03419	2.6
81.07048	34.7
81.50342	2.0
83.04977	17.3
83.08607	3.5
85.02910	18.4
85.06531	6.6
87.04455	8.3
91.05479	4.2
93.07043	38.1
95.04926	4.4
95.08589	13.3
97.02879	4.5
97.06543	13.4
99.08089	3.0
105.07022	5.6
107.08597	18.4
109.06486	5.4
109.10155	24.3
111.08062	2.7
113.05999	1.9
121.10141	52.7
123.08037	5.3
123.11707	32.9
127.03972	3.9
133.10118	8.0
136.07555	3.1
139.11159	5.8
145.04988	2.2
151.11179	54.9
151.58481	2.0
152.11563	2.0
157.12245	3.6
163.03841	3.4
169.12231	100.0
184.85101	2.1
187.13271	35.8
342.62762	2.5
348.27228	4.2
366.11902	4.1
366.28299	10.3
367.11572	15.5
367.15955	2.7
377.04532	2.1
385.96170	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	366.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30401	1.4
53.03922	2.0
55.05502	4.6
57.03419	7.1
57.07070	3.6
59.04986	7.4
59.44810	1.5
61.02912	3.2
67.05508	11.4
67.11504	1.6
69.03435	9.4
69.07069	5.6
71.04458	3.2
71.04965	8.1
73.02917	1.7
75.04478	8.5
75.91436	1.8
78.78652	1.5
79.05484	5.8
81.03412	3.9
81.07054	50.2
83.04958	2.6
85.02422	3.0
85.02901	32.6
85.06561	2.1
86.09695	2.8
91.03970	2.2
91.05471	7.8
91.51073	1.6
93.07040	35.5
95.04955	4.1
95.08601	32.0
97.02888	7.8
97.06530	4.9
99.04459	3.7
103.05559	1.5
105.07017	11.9
107.08588	94.5
109.02850	2.5
109.06515	16.6
109.10153	51.7
111.08098	2.2
113.05939	1.9
118.68043	1.9
121.10141	2.0
123.08068	4.0
123.11699	85.5
124.12024	4.5
125.09648	4.0
127.03910	6.6
133.10126	25.4
135.11668	4.5
139.11218	1.8
145.04971	14.6
151.11176	100.0
152.11563	2.3
163.06006	5.4
163.81566	1.6
169.12236	69.3
187.13304	12.8
215.20270	1.6
219.08534	2.1
237.09555	2.8
295.15616	2.3
295.19171	1.7
353.24005	1.8
367.14304	2.1
382.90118	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21382	0.6
52.82832	0.6
53.20723	0.6
55.01867	0.8
55.05497	1.6
57.03428	1.2
57.07069	0.9
60.04507	1.9
66.67980	0.6
67.05501	11.3
69.03419	2.2
69.07056	1.7
71.04993	21.8
71.23367	0.9
71.23705	1.2
79.05485	3.9
81.07050	9.7
83.04971	1.9
85.02900	6.0
85.06540	32.5
86.06861	0.6
86.09703	1.0
91.05474	9.8
93.07037	6.2
94.78741	0.6
95.08623	0.9
97.02893	2.0
97.06535	0.8
97.76805	0.7
99.04463	1.1
105.07031	8.3
107.08591	10.1
109.06510	2.3
109.10154	15.2
111.08091	1.9
120.08080	0.9
121.10092	2.0
123.11713	3.8
124.16522	0.7
126.05445	0.8
127.03943	1.2
131.08522	0.8
133.10127	33.1
134.10478	0.9
139.11179	1.0
147.04410	2.5
151.11182	29.0
163.03888	2.7
167.07034	0.7
169.12236	32.3
173.53911	0.7
187.13284	100.0
188.13670	1.9
204.08490	0.7
366.28351	1.4
367.13535	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.091
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96294	3.2
56.96560	43.6
57.03444	10.2
57.07103	1.6
61.02909	5.6
69.03432	9.4
70.06570	4.1
71.01335	1.7
71.04982	5.0
71.59497	3.4
73.02918	11.1
81.03416	2.6
83.04968	1.8
84.96011	6.1
84.96517	1.7
85.02902	14.6
85.06537	2.2
91.03958	2.4
97.02878	7.7
98.97576	43.4
99.04406	1.7
100.99147	9.7
101.00881	2.7
109.02847	2.6
110.07178	2.2
110.97556	10.2
112.99117	33.1
113.73669	1.5
114.66574	1.8
115.03902	2.0
116.97791	3.1
116.98605	32.0
119.00163	6.7
119.01912	3.1
124.05015	1.7
127.03898	5.2
128.98616	13.3
131.00168	72.3
133.01608	1.9
133.03421	4.4
133.05170	2.6
134.99664	14.4
143.00143	5.0
145.01707	11.0
145.05061	3.2
146.99635	16.7
147.03235	2.4
148.03926	1.7
149.01216	71.7
151.06348	2.9
153.00725	1.5
154.01773	2.6
157.01706	2.8
158.99649	7.0
159.03204	2.3
160.83220	1.7
161.01204	10.5
161.05597	2.2
162.99185	2.4
163.02776	34.5
163.03979	3.1
165.00749	4.4
166.05122	1.6
167.02298	12.7
169.04401	1.9
170.05081	3.9
170.99635	5.1
172.02931	2.8
173.01251	5.3
173.02882	3.4
175.02812	11.0
175.04149	1.6
175.06297	2.3
177.00708	12.5
177.04285	3.0
178.04898	5.1
179.02246	3.4
181.03804	21.5
183.05063	2.6
185.01230	3.3
187.02731	11.3
187.06207	1.9
189.00697	12.4
191.02260	12.2
193.03864	19.5
199.06306	2.4
201.00722	5.2
201.06133	1.6
203.02353	3.5
205.03777	12.3
205.07375	3.6
207.01750	3.9
211.04898	18.3
217.03868	5.0
217.07529	4.5
219.01758	19.7
219.05290	3.2
222.05263	1.6
223.01166	3.1
223.04808	12.3
235.04781	3.0
237.02809	61.2
242.03413	1.7
247.04881	14.1
249.06290	2.2
255.03926	7.9
263.00870	2.1
263.04312	4.0
264.06833	6.2
265.05875	5.5
269.05411	5.1
277.06271	1.8
279.03946	1.7
281.05414	5.4
283.07144	3.5
295.06918	4.6
307.03680	3.4
307.06973	48.5
307.10687	25.0
321.10321	4.9
325.08066	80.9
325.11609	3.8
337.08847	1.8
343.09244	2.9
348.09738	4.4
349.08093	2.0
367.09109	100.0
367.12622	4.1
367.18976	5.1
385.10175	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	366.0375
Annotation	Unknow
Peak:m/z	Relative Intensity
56.36933	0.6
70.07457	3.8
86.04574	0.6
90.20576	0.6
90.58372	0.6
98.97533	0.7
102.16226	0.8
116.98619	2.6
119.01888	1.8
134.99675	2.7
137.02957	1.9
137.81180	0.7
153.00717	0.7
168.43550	0.7
177.00943	8.5
183.06116	0.8
192.77748	0.6
192.98883	0.8
201.07199	1.5
218.03676	0.9
219.01994	16.3
220.02054	1.0
221.01732	0.9
222.97934	1.1
225.01016	0.9
234.99927	6.9
240.99040	1.0
242.03711	1.8
243.02071	1.4
253.01079	4.1
254.01089	0.8
258.99985	14.1
260.00140	1.6
261.00037	2.4
261.03052	31.8
262.03076	1.6
263.02957	0.9
264.99066	2.7
277.01025	25.7
277.04080	1.2
278.01224	3.5
279.00858	4.7
282.99963	30.9
283.06271	2.0
284.00070	2.6
284.04712	2.0
291.99661	1.2
292.98706	0.8
301.01041	100.0
302.01129	5.8
303.01062	2.1
319.02115	10.6
324.02597	5.6
325.00906	5.1
342.01904	5.5
343.02097	42.7
343.08578	1.8
344.02344	3.2
360.03098	1.2
361.03162	21.2
362.03101	1.4
366.03357	3.0
384.03543	2.8
385.03229	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2107
Annotation	4-Geranyl-3,4',5-trihydroxystilbene
Peak:m/z	Relative Intensity
50.66724	2.3
50.99034	2.1
50.99711	2.3
55.05502	7.5
57.07101	2.2
59.44210	2.0
65.03930	3.4
67.05501	15.1
69.07070	17.3
71.60796	3.7
79.05486	13.8
80.54485	2.3
81.07056	25.2
83.04981	13.9
83.08609	4.3
89.03883	2.3
91.05476	34.3
93.07037	18.3
95.05022	2.9
95.08598	23.7
96.88246	2.3
97.06508	6.3
98.42886	2.4
103.05444	4.0
105.07034	38.7
107.04954	4.3
107.08586	21.7
109.06500	5.4
109.10151	19.2
115.05444	4.2
117.07021	3.8
119.04939	27.3
119.08553	18.8
121.02690	2.4
121.10142	12.2
123.11706	19.8
128.06219	2.6
129.07036	3.8
131.04921	10.9
131.08571	14.4
133.06523	3.1
133.10127	19.2
135.04434	5.2
135.11662	4.9
143.08598	3.8
145.06470	3.5
145.10115	15.8
147.04410	100.0
147.08000	3.1
147.11646	19.4
148.04654	2.7
149.06006	3.5
149.08542	2.7
149.09604	9.8
157.06494	3.1
159.04422	12.0
159.08099	3.3
159.11716	7.5
161.05984	7.1
161.13242	7.9
162.10385	3.4
163.03902	23.6
163.11227	3.3
163.14854	4.5
169.06566	2.5
171.11707	2.3
173.05995	10.5
173.13261	4.4
175.03877	7.5
175.07574	4.7
177.05438	16.1
177.16429	3.4
181.06445	2.9
187.03931	3.7
187.07607	3.0
189.05476	4.3
189.16385	9.4
189.82741	2.4
195.08067	2.9
197.05879	2.9
201.16399	7.2
203.07033	4.0
203.17973	5.9
205.15878	57.4
213.05482	9.9
215.10655	3.9
216.99829	2.4
220.32118	2.4
223.07559	2.3
225.09183	5.2
239.10674	3.4
251.10713	2.8
273.60684	2.4
277.12775	2.9
281.11728	4.8
281.15552	2.6
291.13895	4.2
309.14774	3.8
316.49411	2.6
321.18518	4.2
323.20081	6.7
337.21609	8.6
347.20111	17.5
347.25729	3.3
365.10721	5.0
365.21109	82.7
365.25372	3.6
366.21576	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2686
Annotation	Sarcotol acetate
Peak:m/z	Relative Intensity
55.05510	2.1
57.07072	2.8
62.16312	0.3
67.05489	1.7
69.07072	3.4
71.05004	0.5
71.08625	0.6
79.05482	2.0
81.07061	3.8
83.04961	1.0
83.08623	0.9
85.06534	2.2
91.05477	1.0
93.07045	2.9
95.08597	3.1
97.06529	1.0
97.10140	0.4
98.20725	0.8
99.08094	0.5
105.07021	1.8
106.75121	0.3
107.04983	0.4
107.08584	2.7
108.95727	0.3
109.06541	1.9
109.10162	1.5
111.04456	2.4
111.08076	0.6
117.07021	0.4
119.08599	1.6
121.06544	0.7
121.10069	0.9
123.08058	4.7
123.11752	0.6
124.08824	0.7
125.05938	1.3
125.09652	0.4
131.08543	0.5
133.10123	1.3
135.08057	1.6
135.11671	1.1
137.05974	0.8
137.09615	0.5
139.07576	0.7
140.95181	0.4
145.10115	1.1
147.04410	1.0
147.11694	0.8
149.09615	0.7
149.13181	0.6
151.07542	3.1
151.11188	0.5
152.08308	2.7
153.12732	0.5
161.09454	0.4
161.13246	0.5
163.11208	0.8
164.08302	0.7
165.09113	11.3
165.12753	0.6
166.09842	0.9
171.11792	0.4
173.13335	0.4
175.11192	0.6
177.09055	0.6
177.12730	0.4
179.10677	1.7
179.14293	1.3
181.12312	0.9
193.12202	0.5
195.13829	0.9
208.14557	1.5
219.13800	0.6
221.15334	2.0
221.18985	0.4
235.20535	0.4
249.18509	0.8
263.20120	1.7
305.24689	8.6
306.25049	0.5
319.26303	4.6
347.25809	44.8
348.26062	2.9
365.26871	100.0
366.27213	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	365.2687
Annotation	10-Deacetoxybarbilycopodin
Peak:m/z	Relative Intensity
50.63065	0.2
53.23570	0.2
55.05513	1.0
57.02397	0.2
57.07076	3.2
58.98372	0.2
67.05486	0.9
69.07079	1.0
69.78622	1.3
71.04983	0.2
79.05486	0.6
81.07063	1.4
81.33437	0.2
83.08609	0.3
85.06550	1.7
88.62039	0.2
91.05476	0.7
93.07072	0.9
95.08617	1.2
97.06564	0.3
105.07006	0.6
107.08591	0.9
109.06531	1.6
109.10167	0.7
111.08096	0.2
115.05441	0.2
119.04893	0.2
119.08566	0.7
120.26212	0.2
121.10147	0.6
123.08061	2.8
124.08859	1.6
125.05991	0.5
131.08578	0.3
133.10127	0.5
135.08040	0.6
135.11736	0.3
137.05954	0.7
137.09669	0.5
137.13257	0.2
139.07527	0.3
145.10106	0.4
147.04396	0.5
147.08063	0.2
147.11609	0.3
149.09630	0.4
151.07544	3.2
151.11166	0.3
152.08325	6.0
153.31255	0.2
159.11604	0.2
161.09677	0.3
163.11136	0.3
165.09113	9.1
165.12814	0.3
166.09828	0.4
173.03717	0.2
177.12787	0.5
179.10719	1.8
179.14290	0.2
181.12259	0.6
194.13016	4.1
195.13545	0.3
207.13815	1.6
221.15256	0.2
235.16931	0.7
249.18515	0.7
263.20068	2.4
277.21637	0.7
319.26437	1.1
337.27316	0.3
347.25797	17.6
348.26093	1.4
365.26868	100.0
366.27216	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	365.232
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.4
55.01876	6.2
55.05508	26.8
56.96564	9.2
57.03431	9.5
57.07066	2.2
59.04975	1.2
65.03928	1.3
66.06817	1.0
67.05501	42.7
68.05831	2.0
69.03426	11.9
69.07066	39.8
71.04983	2.9
71.60508	1.5
73.02914	1.1
75.98111	1.0
77.03899	2.0
79.05062	1.9
79.05489	25.5
81.03423	5.4
81.07059	24.8
83.04959	4.0
83.08609	8.5
84.09868	0.9
85.06493	1.3
87.03818	0.8
87.08080	1.3
90.01109	1.0
90.69377	0.9
91.05476	16.2
93.07040	27.1
94.07367	1.5
95.04964	8.6
95.08053	1.2
95.08605	15.5
97.02894	14.2
97.06511	3.8
97.09621	1.4
97.10171	15.6
105.07024	11.4
107.04948	4.8
107.08582	20.3
108.08942	1.2
109.06493	3.1
109.10150	38.7
110.10467	2.8
111.08054	2.7
117.07001	7.2
119.04906	2.9
119.07907	1.1
119.08591	10.5
121.06464	2.8
121.10137	5.8
123.08043	4.3
123.11694	2.5
125.09621	11.2
129.06960	2.3
131.08583	5.2
133.06468	2.1
133.10106	4.8
135.08072	5.6
135.11676	8.2
137.09576	2.2
143.08517	3.5
143.10657	1.3
145.10118	6.4
147.04387	6.3
147.08023	4.8
147.11629	2.5
149.09549	1.9
149.13205	1.0
151.11276	1.1
153.09027	1.2
153.12730	4.3
157.01820	1.2
157.10103	2.7
159.11617	2.2
161.09547	2.2
163.03853	6.8
163.11159	2.7
165.09109	3.8
165.12785	1.2
171.10048	1.1
171.11584	1.2
175.11133	3.1
177.12744	3.6
178.13087	1.8
189.11224	7.4
193.12250	1.5
194.15384	1.0
195.13768	2.4
195.15584	1.1
205.12267	2.0
209.01320	1.6
211.02635	1.6
213.04401	4.9
223.13283	29.3
227.12711	2.2
227.17995	1.5
231.05373	1.3
237.00824	2.1
239.02277	4.7
245.18983	2.4
255.01839	2.5
255.17328	1.6
257.03287	3.9
262.12125	1.2
263.20145	1.6
268.08444	1.1
273.02725	5.1
273.18475	12.8
284.12564	1.6
285.09921	1.9
291.19528	100.0
292.19928	1.7
316.67459	1.0
339.49673	1.0
347.21960	1.1
362.27747	1.3
365.23108	78.1
366.23575	1.0
373.14243	1.2
383.04379	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2298
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	0.4
56.96554	0.7
57.07059	0.4
64.11034	0.4
67.05509	3.1
69.07034	0.5
70.56624	0.9
70.57018	0.7
79.05482	1.5
81.07060	2.9
82.59359	0.5
91.05463	1.7
93.07044	2.5
95.08607	1.1
98.97588	0.5
105.07043	0.6
107.08574	2.0
109.06499	0.7
109.10149	1.7
111.11864	0.4
121.10140	0.8
133.10123	0.6
135.11658	1.3
147.04434	0.6
153.12744	1.3
163.03937	0.7
185.09462	0.6
213.05942	0.8
231.10745	1.1
252.12228	0.5
262.55981	0.4
267.14511	1.9
273.18509	0.6
284.12973	1.1
285.10159	0.7
285.15439	1.5
291.19189	0.6
311.66394	0.4
333.19150	1.3
347.21378	0.5
351.19778	0.5
365.22980	100.0
366.23355	2.4
375.65744	0.5
383.22717	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.211
Annotation	4-Geranyl-3,4',5-trihydroxystilbene
Peak:m/z	Relative Intensity
55.01886	0.8
55.05495	2.5
57.07068	1.4
66.42258	0.7
67.05505	5.0
68.57217	0.7
69.07068	5.8
69.33697	8.0
79.05482	3.6
81.07056	10.2
83.04984	1.1
83.08630	1.7
91.05486	4.2
93.07049	6.3
95.04941	0.9
95.08606	7.4
97.10178	0.8
105.07026	10.8
107.08592	6.2
109.10145	5.8
115.05414	0.8
117.07054	1.5
119.08585	7.0
121.06490	1.3
121.10174	4.6
121.10885	0.7
123.04455	1.1
123.11719	5.1
128.51064	0.8
129.07021	1.2
131.04904	1.4
131.08528	2.5
133.10132	4.2
135.11699	2.0
137.05974	0.9
137.13293	1.0
141.06999	0.8
143.08571	2.0
145.06454	1.5
145.10107	5.2
147.04350	0.7
147.11685	7.0
149.06001	2.3
149.13264	4.5
153.07005	1.1
155.08578	1.5
157.06491	1.6
157.10147	1.0
159.04384	2.0
159.08064	1.8
159.11690	2.5
161.06007	1.6
161.09573	0.8
161.13243	4.9
163.03940	1.9
163.07455	0.9
165.06998	0.8
169.06520	2.2
173.05942	2.3
173.13303	1.2
175.03932	1.3
175.07535	2.1
175.14822	1.5
177.05473	4.0
177.09027	1.0
179.08505	1.0
181.06506	1.4
181.10066	1.0
183.08000	1.1
183.11613	1.1
185.05959	1.2
187.07553	4.2
189.05516	2.1
189.16370	4.5
191.07007	4.3
191.14337	1.1
195.08063	1.5
197.05963	3.1
199.07582	2.3
201.05444	1.4
201.09039	1.5
201.16344	3.9
203.07056	2.6
203.17938	4.3
204.18710	6.2
205.15884	3.5
206.07214	1.0
207.08113	1.5
207.11632	0.9
209.09711	1.1
211.07530	2.2
213.05461	5.5
213.09074	0.9
215.07050	5.5
215.84245	0.7
217.08606	3.1
221.09581	1.8
223.07632	1.4
223.11140	0.9
224.08252	0.9
225.09103	2.5
227.05205	0.7
227.07043	16.9
227.10585	1.3
229.08649	1.9
231.08052	0.8
235.07620	1.6
235.11113	1.6
237.09094	1.1
239.07092	1.2
239.10635	2.0
241.08614	2.3
241.12305	1.1
243.10222	1.1
245.09718	0.9
247.11259	1.2
251.10715	1.4
253.08531	2.0
253.12247	1.8
257.11667	1.1
263.10706	2.0
263.14474	0.9
265.08548	0.9
266.09473	1.5
267.10181	3.0
267.13730	1.7
269.11676	1.9
277.12149	1.9
279.10336	1.3
279.13739	2.3
281.11746	5.3
281.14972	1.6
289.12479	0.9
291.13809	1.5
294.12561	0.9
295.13239	1.6
305.15390	1.3
307.13287	9.6
307.16745	1.3
308.14203	0.8
309.14862	4.7
319.16931	1.0
319.20547	1.1
321.18484	0.9
322.15598	1.6
323.16388	2.2
323.20093	1.8
337.17905	1.0
337.21686	2.8
347.19992	4.2
348.20377	0.9
350.18661	1.0
365.21106	100.0
366.21487	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	365.1595
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	6.6
55.01863	8.6
55.05512	11.7
57.03432	12.6
61.02912	3.9
65.03935	3.8
67.05507	18.1
68.99786	7.5
69.03429	94.5
69.07043	4.5
69.33263	26.6
70.06566	2.0
71.01344	3.1
71.04997	6.5
72.14341	2.2
73.02914	9.6
79.05488	20.8
81.03419	26.1
81.07056	44.7
83.04978	12.5
85.02903	72.6
85.06558	11.4
86.86520	2.3
87.00831	31.2
87.04462	4.3
91.05476	41.0
93.03420	2.7
93.07043	53.5
95.04965	38.9
95.05547	3.0
95.08607	10.1
96.05330	2.5
97.02889	26.5
97.06503	6.5
99.04463	5.7
103.03938	7.4
103.05457	5.4
105.01859	9.6
105.07027	94.8
107.04946	7.5
107.08601	24.5
109.02843	5.2
109.06531	16.6
109.10107	5.1
111.04433	8.5
111.08075	3.4
113.05988	2.2
115.03918	6.4
115.05450	6.9
116.06199	2.4
117.07022	21.4
119.04955	10.3
119.08585	88.1
121.06491	21.4
121.10142	24.1
123.04473	6.1
123.08067	4.3
125.06001	4.1
127.03947	4.8
128.06200	9.3
129.01855	6.0
129.07010	13.9
130.07802	8.1
131.08568	27.5
133.06485	10.9
133.10133	24.9
135.08051	11.7
135.11682	5.4
137.05994	4.7
137.09612	4.1
141.07024	7.8
142.07770	18.5
142.13475	2.3
143.08563	30.4
144.09364	4.2
145.06451	5.2
145.10120	100.0
146.10475	2.9
147.08031	7.0
147.11691	56.1
149.05968	6.8
149.09674	4.0
149.13287	5.3
151.07536	18.1
153.07033	4.0
153.09256	2.6
155.08562	23.8
156.09305	10.6
157.06441	3.8
157.10127	44.5
159.02873	5.3
159.08075	13.2
159.11703	57.1
161.05986	5.6
161.09612	16.1
161.13232	6.1
161.19795	2.8
163.03943	4.5
163.07539	6.5
163.11206	26.1
165.07018	4.9
165.12746	5.7
167.06937	3.9
167.08553	6.4
168.09270	6.0
169.10133	23.9
171.02925	5.2
171.08098	5.8
171.11690	16.6
173.09618	7.8
173.13222	7.2
175.07602	3.7
175.11188	48.3
181.08658	3.0
181.10114	8.7
182.10902	4.0
183.11693	15.0
185.09573	4.6
187.07594	5.4
187.11168	10.1
189.03943	10.7
189.12773	10.1
191.08582	3.4
192.09351	8.2
193.12247	9.1
195.11722	9.3
197.09531	3.0
197.13264	23.6
199.11160	6.3
201.03960	8.4
201.09061	4.3
201.12770	15.1
207.11703	9.5
210.10287	3.3
213.12756	6.1
215.14302	8.6
225.12715	26.2
231.05058	4.5
231.13831	6.5
233.15324	3.4
243.13824	39.9
261.10376	3.2
261.14844	35.1
279.15915	6.2
321.17032	3.8
334.35324	2.2
347.14963	34.7
365.16046	57.5
366.16055	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	365.211
Annotation	Chiricanine E
Peak:m/z	Relative Intensity
51.35962	1.0
55.05498	2.6
57.07068	2.4
59.25358	0.9
63.96070	1.1
67.05508	6.8
69.07063	6.8
69.71510	1.0
69.74773	8.2
79.05457	2.8
81.07050	13.6
83.04993	1.6
83.08628	2.8
91.05462	5.7
93.07055	6.2
95.08617	9.7
97.02882	1.1
97.06537	1.1
105.07024	15.3
107.04969	1.4
107.08582	9.6
109.06522	1.3
109.10146	7.8
115.05458	1.4
117.06986	2.1
119.08584	10.5
121.10165	4.7
123.04459	2.2
123.08036	1.4
123.11704	6.6
129.07018	1.7
131.08557	3.4
133.10146	7.2
135.11713	4.0
145.10098	7.9
147.04411	1.8
147.11674	9.8
149.05980	2.9
149.13239	5.5
153.07010	1.2
157.06487	1.4
159.08066	1.9
159.11693	2.3
161.06015	1.7
161.13248	15.2
161.95262	1.1
162.06783	1.1
163.03934	2.5
163.14867	2.7
165.07002	1.5
167.08502	1.4
169.06558	1.3
171.11737	1.4
173.06012	2.8
173.13264	1.8
175.03941	1.7
175.07542	4.2
175.14856	3.1
177.05446	3.8
177.09047	1.8
181.06482	1.5
183.08147	2.8
185.05960	1.4
187.07547	8.3
189.05475	4.0
189.09183	1.5
189.16371	8.4
191.07005	3.2
191.14462	1.5
195.08014	2.5
197.05933	1.4
199.07558	2.1
201.05666	1.4
201.16396	4.7
203.07034	2.5
203.17920	9.1
204.18762	20.6
205.15907	2.8
207.08131	2.1
209.09682	1.6
211.07538	3.3
213.05492	4.6
213.09096	1.6
215.07047	3.9
217.08571	2.1
221.09735	1.8
223.11081	1.5
225.09062	2.6
227.07053	13.7
227.10699	2.4
229.08633	1.6
235.11134	2.7
237.09013	1.9
237.12775	1.4
239.10634	3.2
241.08603	3.6
241.12311	2.1
243.10181	2.0
249.09169	2.0
251.10468	1.7
253.08636	2.1
253.12247	2.5
255.10107	2.1
257.11734	1.4
261.12766	1.4
263.10809	1.4
265.12170	1.6
266.09470	1.7
267.10309	2.5
267.13635	1.8
269.11887	1.3
277.12405	1.8
279.10092	1.4
279.13763	3.5
281.11740	4.1
281.15137	1.5
289.12418	2.2
291.13791	2.1
293.11844	1.9
295.13403	1.5
305.15329	1.8
307.13220	8.8
307.16553	2.8
309.14999	5.6
322.15775	2.1
323.16495	2.6
323.20129	3.5
329.18900	1.5
337.21716	4.6
347.20038	6.8
347.25845	2.6
350.18790	1.7
352.18396	1.3
365.21133	100.0
365.26294	5.1
366.21460	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	365.1594
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	4.9
55.01644	3.5
55.01868	15.3
55.05502	13.2
57.03426	6.9
59.05002	4.7
61.02911	4.7
67.05521	18.9
68.99786	10.0
69.03431	100.0
69.07067	10.9
69.25844	31.1
71.04990	29.0
76.09923	2.6
79.05487	29.8
81.03423	32.1
81.07058	62.7
83.01354	5.9
83.04990	13.5
85.02909	44.4
86.03226	6.5
87.00826	17.1
91.05482	32.6
93.07047	50.1
94.07395	6.3
95.01307	3.8
95.04974	19.4
95.08607	20.7
96.08943	5.1
97.02888	32.8
97.06525	7.5
97.33666	2.8
99.04449	4.6
99.08089	4.1
103.05439	4.7
105.01888	2.9
105.07027	45.5
107.04953	42.1
107.08603	36.0
108.08925	6.4
109.02879	7.3
109.06534	17.3
109.10152	17.4
111.04441	7.3
115.03931	8.7
115.05470	6.7
117.01878	4.7
117.07040	21.2
119.04926	10.4
119.08560	23.5
121.06492	23.3
121.10152	25.8
122.10470	14.2
123.04417	6.9
123.08076	14.8
123.11712	7.8
125.06013	4.9
125.09624	5.5
126.05554	3.5
127.03926	7.8
127.10103	2.6
128.06224	8.7
128.40045	2.8
129.07004	11.0
130.07796	8.3
131.04886	3.9
131.08572	26.0
132.08910	3.7
133.06503	9.6
133.10136	21.5
135.04414	18.9
135.08044	18.5
135.11705	12.3
137.05945	4.5
137.09593	9.4
137.13138	3.2
139.11194	13.4
140.11530	14.3
141.06975	4.6
142.07805	6.2
143.08585	12.0
144.05672	3.0
145.05003	4.1
145.06470	13.4
145.10138	35.4
147.08061	20.5
147.11713	17.8
149.06032	5.1
149.09634	14.3
150.09972	13.5
151.11205	9.9
153.09135	10.8
155.08545	9.5
157.06439	4.2
157.10117	10.3
158.07246	5.0
159.02953	5.3
159.08072	14.2
159.11690	18.1
161.09636	6.9
161.13309	6.4
163.03880	21.0
163.07573	21.9
163.11182	7.2
165.12790	8.7
167.08594	3.4
167.10651	25.7
168.11006	44.3
169.12251	34.9
171.08092	11.4
171.11734	9.7
172.08829	4.7
173.09625	31.0
173.13283	5.0
175.07549	8.4
175.11217	12.3
177.09143	4.0
177.12753	22.8
182.10916	4.7
183.08092	4.5
185.11758	7.8
186.12048	9.1
187.11194	13.4
189.09117	13.3
189.12712	16.3
191.07043	5.7
191.10690	7.9
193.12274	6.2
197.13266	9.4
201.09131	6.9
201.12787	11.2
202.04892	3.1
203.03174	54.3
203.05042	2.7
205.12283	20.0
210.10330	3.3
215.14326	19.1
217.12158	3.6
219.13841	6.8
225.12724	10.2
233.15407	22.3
243.13805	45.9
261.14865	86.8
261.17615	4.5
262.14951	3.5
279.15869	4.0
293.10101	3.8
303.15936	3.4
311.22220	4.8
318.17990	3.1
321.16986	8.4
329.14047	4.9
347.14944	52.4
365.08783	15.8
365.16043	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	365.1055
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86828	0.4
53.95113	0.4
55.90921	0.5
56.96558	1.3
65.84872	0.4
69.03419	0.6
71.31725	1.1
73.02895	0.5
81.03436	0.5
85.02892	1.1
91.05505	0.6
95.20173	0.5
97.02861	0.6
98.97565	1.2
107.04919	0.7
115.02473	0.5
116.98642	1.0
119.01937	1.4
128.98665	0.9
131.01907	0.7
133.03462	2.2
136.48691	0.5
143.00215	0.5
143.01952	0.7
159.05034	1.3
161.01302	0.5
161.02917	0.5
163.03976	1.1
169.03490	0.9
171.05034	0.9
173.02983	0.9
177.06114	1.0
185.04228	15.5
187.04515	0.9
189.00748	0.7
195.07187	1.1
197.02809	0.7
203.05272	38.3
218.24068	0.5
219.07132	1.9
230.98235	0.6
244.07928	0.6
245.05095	1.6
275.06235	1.1
295.08798	0.7
305.07236	1.3
317.07272	1.4
323.08298	0.7
333.06689	1.0
365.10608	100.0
366.10913	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1052
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96553	1.4
58.86946	0.7
69.77660	2.5
69.78089	2.4
85.02891	0.8
98.97536	1.5
115.02422	0.7
116.98644	1.3
119.01923	1.0
133.03474	3.6
134.99763	0.9
145.03482	0.8
146.99617	0.8
147.05022	0.7
151.04591	0.9
159.05049	2.6
160.97597	0.6
165.00696	1.0
169.03438	0.8
169.67209	0.7
177.06129	1.1
177.33458	0.8
185.04230	17.0
195.07214	1.2
199.13405	0.7
203.05266	41.9
215.04045	0.9
219.07159	2.2
245.05084	2.5
249.08240	0.7
263.00705	1.2
275.06235	0.9
279.06363	0.9
289.07489	1.3
317.07254	2.2
333.06570	2.2
353.29129	0.9
365.10550	100.0
366.11008	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	365.1207
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.6
67.05495	0.7
69.03434	2.3
71.04982	1.3
71.61723	0.7
72.04492	0.5
79.05471	0.7
81.03416	0.6
81.07037	0.9
83.04993	1.1
85.02896	2.4
91.05470	1.4
93.07021	2.3
95.04975	0.9
95.08600	1.0
105.07016	1.9
107.04216	0.5
107.04950	10.4
107.08582	2.9
109.02907	0.5
111.04445	0.8
117.07019	0.7
119.04976	0.5
119.08589	1.1
119.99714	0.4
121.06523	0.7
129.82642	0.4
133.06424	0.4
133.10141	0.9
135.11699	0.9
135.83510	0.4
137.06012	1.3
145.10144	0.8
147.04443	1.4
147.06525	0.4
147.08037	0.5
147.11671	0.5
159.11743	0.5
161.05963	0.6
163.03874	0.9
163.11224	1.2
167.07071	1.1
169.79512	0.6
185.04230	2.8
203.06844	2.9
211.07466	0.5
215.14224	0.7
231.06456	3.0
243.13895	0.7
244.33597	0.5
259.05939	0.8
261.14908	1.8
301.53391	0.4
337.10721	1.3
347.14841	1.3
365.12103	100.0
366.12509	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	364.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08406	0.9
53.03927	1.4
54.09662	1.1
55.01865	2.4
55.05516	1.8
57.03427	2.1
59.05002	5.4
60.04523	12.2
61.02925	2.4
67.05500	4.8
69.03427	4.8
69.07067	2.2
71.04978	2.6
71.54382	2.2
72.04514	2.1
79.05489	4.0
81.03392	1.7
81.07050	4.6
82.33087	1.0
83.04977	2.3
85.02905	15.4
89.22202	1.0
90.05553	1.3
91.05474	3.9
93.07042	6.7
93.21538	1.0
95.04976	1.2
95.08606	7.6
96.72161	1.0
97.02891	4.2
97.06545	2.8
103.53051	1.0
105.07037	4.5
106.57269	1.0
107.05006	1.1
107.07865	1.5
107.08587	21.8
109.02865	1.6
109.06511	51.9
109.10146	1.3
111.04482	1.1
115.61156	1.0
119.08555	2.3
121.10139	43.5
123.08060	9.4
124.07610	0.9
125.09624	46.9
127.03922	3.1
131.08604	2.7
131.50179	1.0
137.09520	1.3
139.11160	6.5
145.04950	2.7
149.09605	16.1
167.10669	100.0
168.11038	2.9
185.11729	82.3
186.12091	3.5
202.04968	1.2
202.10748	2.2
239.81293	1.0
292.07892	1.1
328.24789	4.6
335.83698	1.0
346.25931	9.4
364.26984	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	364.1963
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47800	1.1
55.01852	1.4
56.96556	1.8
58.12526	1.3
69.03429	2.9
69.07052	2.7
71.06732	1.7
71.07084	2.7
79.05492	8.6
81.07025	2.6
83.04981	10.7
85.02876	5.0
91.05462	8.7
93.07068	6.8
95.04957	1.4
95.08595	2.3
98.97582	3.1
103.05478	2.4
105.07009	4.1
107.04922	1.3
107.08591	48.0
107.81427	1.2
109.06505	5.6
110.84795	1.4
111.04447	1.6
116.98564	1.7
121.06507	5.0
121.10148	10.3
123.08067	2.2
125.09619	17.5
127.03941	1.9
131.04926	5.7
131.08568	14.8
137.88887	1.4
139.11148	1.6
149.09616	33.4
163.07527	1.8
167.10670	100.0
168.11028	3.9
182.18837	1.5
185.11656	2.9
202.06740	1.9
215.74820	1.2
223.06471	1.5
265.07452	1.8
274.09567	3.6
283.08527	1.7
365.11978	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	363.3103
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.4
55.01854	2.6
55.05506	16.7
57.03414	8.0
57.07054	6.9
58.28677	2.8
67.05503	30.0
69.03411	13.6
69.07063	30.4
69.45688	16.2
69.46117	11.6
71.04976	4.5
75.56708	2.9
79.05478	13.7
81.03418	4.4
81.07056	100.0
83.08617	14.4
85.02886	12.3
85.06549	33.6
91.05470	6.1
93.07033	24.5
95.04964	3.4
95.08055	5.3
95.08609	78.5
97.02881	3.7
97.10159	6.6
99.04485	3.8
99.08090	26.7
105.07015	11.9
107.08585	29.3
109.02888	3.7
109.10149	55.1
111.08070	4.3
111.11720	6.0
113.09646	7.2
119.08562	8.5
121.10137	30.0
123.04469	3.2
123.11691	40.1
125.09570	4.3
127.03863	4.8
131.08470	4.7
133.10115	7.1
135.11684	21.9
137.13271	14.7
145.10130	5.1
147.04411	5.9
147.11684	3.8
149.13268	40.1
151.98317	3.1
161.13260	5.9
163.14812	26.8
165.16391	3.4
167.07062	40.7
167.14388	3.4
173.13351	4.6
175.14761	3.0
177.16342	11.8
187.07532	3.3
191.17920	7.4
195.17383	5.1
196.11009	3.0
203.17821	4.1
209.19011	3.8
217.19400	6.9
221.19028	4.1
247.24199	3.7
249.95306	2.8
259.21005	3.0
273.25806	17.2
279.26785	3.6
291.26852	37.7
309.27902	20.9
318.10907	7.3
327.28854	7.8
333.13260	3.8
362.59790	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	363.2892
Annotation	2'(R)-Hydroxylanneaquinol
Peak:m/z	Relative Intensity
55.05499	5.3
57.07059	1.8
67.05496	5.8
69.07064	8.6
70.86416	3.2
70.86774	1.2
71.08629	1.9
79.05485	3.5
81.07045	9.5
83.08600	3.3
89.06010	1.1
90.52728	1.2
90.59564	1.1
91.02246	1.1
91.05479	2.4
93.07031	4.0
95.08618	7.0
105.07021	1.7
107.08585	5.2
109.06516	4.3
109.10131	2.4
119.08564	4.0
121.10129	3.7
123.08064	46.6
123.11687	2.1
123.97380	1.3
133.10117	2.7
135.08078	4.6
137.09637	3.2
147.11652	2.3
149.13330	1.7
154.06789	1.2
159.11609	1.4
161.13269	1.2
169.47060	1.2
179.14352	7.0
226.40341	1.4
235.97009	1.4
275.20346	1.5
307.22586	5.9
331.26294	4.6
363.28922	100.0
364.29202	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2892
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.8
55.01845	0.6
55.05508	5.1
57.03424	0.8
57.07057	1.9
66.05322	0.6
66.84552	0.6
67.05506	5.3
69.06733	0.7
69.07069	10.4
70.80988	1.7
71.04984	1.4
71.08611	0.6
79.05487	3.4
81.07055	9.8
83.04970	0.8
83.08620	4.7
85.06523	0.6
91.05468	1.7
93.07060	5.0
95.04986	0.9
95.08607	10.1
97.06518	1.5
97.10146	1.0
105.07030	3.6
107.08592	6.3
109.06519	8.5
109.10151	5.2
111.08105	1.5
119.08591	3.5
121.10158	3.7
123.08067	60.3
123.11684	2.3
124.08380	1.8
131.08507	1.1
133.10152	3.0
135.08058	3.6
135.11717	1.9
136.08853	0.9
137.09621	4.8
138.37332	0.6
145.10106	1.6
147.11658	2.4
149.09634	1.5
149.13246	2.6
151.14891	0.7
159.11687	1.6
161.13228	1.6
165.12672	1.1
169.14493	0.7
173.13208	0.7
177.12762	1.3
179.14308	13.5
185.40015	0.5
187.14729	0.9
188.72099	0.5
193.79010	0.6
196.48016	0.5
220.47713	0.6
236.22005	0.7
275.20065	1.7
289.25281	0.7
307.22681	8.4
316.03418	0.6
331.26288	3.1
363.28915	100.0
364.29279	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	362.1805
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03916	0.9
55.01854	0.8
55.05495	0.8
57.03418	2.0
58.06598	6.3
60.04502	1.1
61.02907	1.2
67.05506	3.6
69.03427	3.2
69.07083	0.6
71.04968	0.7
71.58997	0.9
72.08156	0.9
77.03886	0.6
79.05476	1.3
80.33871	0.5
81.03400	1.6
81.07044	1.0
85.02903	11.7
91.03951	0.7
91.05481	3.2
93.07046	12.0
95.04980	0.8
95.08604	29.7
97.02881	2.7
97.06538	1.2
99.04406	0.8
105.07004	1.0
107.04953	0.8
107.08594	2.2
109.02854	1.2
109.06498	1.8
109.10154	11.9
111.08062	1.1
115.05373	0.6
119.07784	0.8
119.08582	10.6
120.08096	0.6
121.06515	0.6
121.10146	1.8
123.04444	2.5
123.08074	0.7
124.04787	0.7
125.04941	0.6
127.03913	2.1
135.04407	0.9
137.05994	1.6
137.09619	37.6
139.07558	5.8
144.81682	0.5
145.02902	1.1
145.04927	2.1
145.06403	0.5
147.08040	6.4
155.10602	0.6
161.05949	0.5
163.03906	4.2
165.09140	9.9
180.07864	0.6
183.10167	100.0
184.10510	1.8
191.07065	1.0
192.07860	1.4
200.09280	0.9
206.08121	1.7
237.02872	0.5
327.12106	0.6
344.24066	1.0
345.13480	1.6
362.12213	1.1
362.15717	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.2899
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91592	1.7
53.03926	2.6
55.05503	17.7
57.07068	2.2
66.40936	2.0
67.05502	61.7
69.07059	5.2
70.06597	2.5
71.04990	91.7
71.08640	11.2
71.27540	4.0
79.05480	5.6
80.08876	1.9
81.07055	49.7
83.04975	2.0
83.08604	11.6
88.07626	3.8
91.05474	6.0
93.07035	7.4
95.08614	5.5
97.10179	11.6
99.08083	7.4
105.07001	2.4
107.08569	9.3
109.10152	37.5
111.08093	3.7
119.08564	5.6
123.11697	20.5
125.09625	13.0
132.10199	6.5
133.10132	2.2
135.08002	2.5
135.11681	3.7
151.11157	5.5
155.10696	11.0
155.14299	94.4
161.13210	3.6
173.11732	100.0
179.14282	3.1
189.11205	20.7
195.13850	2.1
221.20793	1.7
227.16357	9.8
277.21561	24.5
295.22586	5.7
297.09140	2.0
309.24194	2.0
333.77475	1.8
340.39465	1.9
362.32715	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	362.1806
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.6
55.05500	0.9
57.03411	0.6
60.04519	0.8
61.02931	0.7
67.05499	3.4
69.03411	2.2
69.60795	3.8
70.06582	0.5
79.05478	2.9
81.03412	0.8
81.07056	8.2
83.04964	2.2
85.02905	3.1
86.09683	0.9
91.05485	5.0
93.07040	56.8
95.04941	3.0
95.08604	24.9
97.02878	1.1
97.06528	4.3
98.20762	1.0
103.05391	0.6
105.07032	6.2
107.04964	1.4
107.08595	2.1
109.06476	1.1
109.10155	4.6
117.07014	0.6
119.08579	16.9
121.10125	1.8
123.08062	20.9
125.05988	8.5
127.03919	0.8
129.06961	0.9
133.06499	0.6
133.53447	0.5
137.05939	1.6
137.09619	18.2
138.06209	0.7
145.58672	0.5
147.08043	8.6
147.10361	0.5
152.07896	0.6
161.06012	0.9
162.06375	1.0
165.09108	100.0
166.09456	1.8
182.11685	2.5
183.10159	23.0
189.09038	0.6
190.09433	0.6
201.09160	0.8
208.10513	0.9
311.24734	0.6
327.14545	0.7
362.17993	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2584
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18092	0.2
53.03942	0.3
55.01868	0.4
55.05505	2.5
57.03436	37.9
61.02925	9.2
61.47103	0.3
66.39923	0.2
67.05504	9.6
69.03426	0.5
69.07066	2.6
69.54020	2.3
69.54291	0.2
71.04993	0.8
75.04482	1.2
79.05489	3.4
81.03425	0.4
81.06577	0.4
81.07059	8.6
83.04971	0.3
83.08609	1.8
85.02905	0.7
85.06534	0.6
91.05473	2.8
93.07044	3.7
95.04971	0.8
95.08603	11.7
96.08956	0.3
97.06542	0.6
97.10179	1.2
99.08078	0.6
100.11239	0.3
103.05464	0.9
105.07023	1.2
107.04964	1.9
107.08589	1.8
109.02888	0.3
109.10155	9.5
111.04426	0.5
111.08086	0.6
113.09667	0.3
115.05446	0.3
117.05491	100.0
118.05824	0.8
119.04921	0.5
119.08577	0.6
121.06477	1.2
121.10143	4.6
123.04449	0.5
123.11703	1.7
125.05991	0.5
127.06635	0.3
128.06227	0.4
129.06995	1.2
131.04903	0.8
131.08562	0.9
133.06503	0.4
133.10114	0.5
135.08067	0.5
135.11687	3.6
137.05931	1.7
139.03870	0.3
145.06491	0.4
145.10103	0.5
147.04398	0.4
147.08090	0.3
147.11732	0.4
149.05971	0.5
149.13228	1.3
151.07549	0.9
153.05444	0.6
157.06474	0.6
161.05984	1.8
161.09604	0.4
163.03938	0.3
163.07521	1.1
165.07016	0.5
165.09155	0.9
166.06235	0.4
166.07689	0.3
167.07028	4.2
174.06725	0.5
175.07527	0.6
177.09059	0.6
179.07040	0.5
179.08553	0.4
181.08594	5.5
181.10069	0.3
182.07315	0.3
183.10129	0.3
189.09099	4.7
191.17908	2.1
195.08015	0.5
197.09578	0.4
198.06635	0.4
199.07350	0.3
199.11194	0.3
207.10197	0.7
208.08835	0.3
209.18976	2.0
210.06749	0.4
211.07518	0.6
215.18054	0.5
219.07982	0.3
223.07542	0.5
225.09079	0.9
227.07137	0.5
227.20038	4.0
229.12170	0.3
233.19055	0.5
235.07399	0.3
239.06984	0.6
251.07053	0.3
251.10490	0.4
251.19984	0.5
253.08443	0.6
253.13620	0.3
255.11218	0.4
257.11774	0.7
268.07092	0.5
273.12329	0.8
283.10135	0.7
283.13309	0.5
285.11227	1.9
299.09241	1.6
299.12253	0.4
301.11768	0.4
307.26102	0.3
311.12802	0.4
313.10858	0.3
315.12250	0.9
317.13782	1.6
325.23795	1.3
342.72433	0.4
343.15555	0.6
343.24802	4.5
360.73526	1.9
361.13165	0.3
361.15994	1.0
361.22931	1.7
361.72952	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1645
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98959	1.5
53.03954	2.8
55.01883	2.5
57.89352	1.7
64.96836	1.7
67.05506	3.3
69.07065	2.9
71.60015	2.9
75.74004	1.9
78.04736	2.2
79.05494	14.4
81.07057	4.4
83.04947	2.1
85.02905	1.9
88.42016	1.8
91.05484	25.0
93.07042	14.9
95.04974	13.0
95.08603	2.6
97.83051	2.2
103.05459	11.6
105.07041	13.5
107.04955	30.3
109.02924	3.0
109.06516	3.9
109.10166	1.8
111.04449	2.9
115.05455	3.8
116.06169	2.4
117.07011	5.8
119.04952	6.7
119.08630	2.7
120.05801	2.3
121.06493	20.3
121.10179	2.2
122.03677	3.1
123.04439	6.6
124.05227	4.4
125.06005	3.5
127.03901	1.8
128.06189	8.7
129.07002	30.1
129.07895	2.3
131.04904	11.7
131.08572	12.2
133.02867	4.9
133.06505	4.2
135.04448	5.0
135.08060	8.1
137.05975	23.4
138.06735	1.7
145.06482	8.2
146.03621	2.4
146.07237	4.8
147.04425	4.7
147.08107	3.0
148.05180	6.0
149.06003	5.8
151.03879	4.7
151.07553	20.3
152.04715	4.7
153.05460	15.4
153.06682	2.5
155.07016	2.4
157.06473	19.6
159.08128	1.9
161.05991	43.0
161.09616	13.9
163.07544	18.5
165.05612	2.9
165.07007	7.6
165.09163	8.0
166.06287	11.5
166.07558	2.7
167.07056	69.6
167.08522	5.5
169.06526	3.9
171.08081	1.8
173.06119	2.2
174.06723	12.3
175.07585	8.4
177.05505	1.9
177.09097	7.7
178.07809	2.2
179.07047	5.7
179.08600	4.9
180.07860	3.0
181.05142	3.7
181.06671	4.6
181.08592	100.0
182.07256	7.8
182.08781	2.3
183.08041	5.1
185.06102	2.0
189.07368	4.1
189.09109	86.9
190.07784	2.2
191.08562	3.0
191.10649	2.8
193.06590	3.4
193.08606	2.5
194.07329	5.6
195.08081	10.9
196.08803	2.3
197.05954	3.3
197.09622	11.1
198.06758	2.2
199.07596	3.3
203.10861	2.6
205.06610	3.3
205.10378	2.0
207.08147	5.9
207.10194	22.9
208.08774	4.2
209.06006	2.7
210.06807	6.1
211.07596	7.1
219.08084	4.9
219.10223	5.0
221.05963	4.7
222.06639	2.6
223.07458	9.4
223.11182	5.5
224.08243	2.7
225.05507	2.8
225.09109	17.9
226.09917	2.4
227.07030	6.4
227.10712	2.6
229.12268	4.6
235.07603	2.5
236.08249	6.0
237.09113	4.7
238.06186	2.3
239.07050	6.4
239.10660	4.7
240.07796	4.1
241.08723	3.3
242.09308	2.7
247.07521	2.5
251.07085	7.4
251.10663	5.8
253.08530	14.1
255.06525	5.0
255.10159	7.8
257.07913	2.4
257.11771	14.6
265.08658	3.9
267.10049	2.3
268.07388	4.2
270.09158	3.9
271.09448	2.8
279.10233	6.5
281.08075	3.1
283.10159	12.9
283.12851	12.9
285.07965	3.8
285.11224	35.5
286.11688	2.3
297.11176	5.9
299.09183	9.6
299.12857	5.8
300.09927	3.0
302.11395	5.2
311.12762	9.0
313.10770	2.3
315.12131	20.0
317.13760	27.5
329.14157	4.7
331.15369	5.5
343.15387	18.2
361.16290	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	361.1645
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90104	1.8
53.03950	4.9
55.01862	4.8
55.05507	4.5
57.03446	2.2
57.07071	2.8
65.03950	2.0
67.05508	9.9
69.03408	5.1
69.07082	10.9
69.52004	5.2
69.52410	9.8
71.04965	3.3
71.08674	1.7
79.05485	19.3
81.03435	2.0
81.07055	24.7
83.04980	4.8
83.08585	3.2
85.02911	2.9
85.06546	5.7
85.64154	1.5
87.67403	1.5
89.26526	1.6
91.05476	28.2
93.07035	24.5
95.04965	12.3
95.08611	17.8
97.06537	6.9
99.08109	1.7
103.05479	13.4
105.07032	17.9
107.04270	3.2
107.04959	32.8
107.08606	8.8
109.02879	2.3
109.06486	4.8
109.10136	10.3
111.04428	5.2
115.05512	3.5
117.07019	7.2
119.04956	9.4
119.08572	7.1
121.06497	21.1
121.10136	6.4
123.04428	6.8
123.08086	2.4
123.11711	4.0
124.05217	4.5
125.06008	3.8
128.06242	9.5
129.07007	28.0
131.04900	8.3
131.08578	15.4
133.02888	2.6
133.06480	5.9
133.10126	4.1
135.04431	2.7
135.08044	7.0
135.11714	5.4
137.05981	22.8
137.13316	2.4
139.07503	2.2
141.06978	2.1
143.08536	2.1
144.05763	2.2
145.06465	8.3
145.10136	3.7
146.07315	2.3
147.04395	6.4
147.08086	4.7
147.11676	5.4
148.05182	4.8
149.05952	8.8
149.13258	3.3
150.06738	2.0
151.03931	7.0
151.07541	22.8
152.04688	4.0
152.06145	1.8
153.05481	14.4
153.06740	2.6
154.07797	3.0
155.07063	3.1
157.06471	22.4
158.07288	3.2
159.04506	1.7
159.07994	2.4
159.11705	3.2
161.05988	30.1
161.09622	11.4
161.13275	2.4
163.07541	22.5
163.14819	2.2
165.05623	3.0
165.06953	9.9
165.09067	8.4
166.06268	7.3
166.07581	2.0
167.07060	67.9
167.08528	8.0
168.05978	1.8
168.07413	2.6
169.06454	2.6
171.08049	3.8
173.06096	2.6
174.06863	11.1
175.07538	7.9
176.06216	2.0
177.05496	3.7
177.09088	9.3
178.07741	2.2
179.07019	4.6
179.08612	6.0
180.07718	2.5
180.09378	1.9
181.05092	3.2
181.06660	5.1
181.08594	100.0
182.07271	6.8
182.08826	3.7
183.08072	4.3
187.07600	3.3
188.08395	1.9
189.07379	3.9
189.09116	73.6
190.07787	3.1
191.06952	2.1
191.08545	2.8
191.10689	3.1
193.06592	2.9
193.08540	2.3
194.07298	6.7
195.08070	11.3
196.08786	3.2
197.05922	3.2
197.09660	10.5
199.07478	4.4
200.08136	1.8
201.09059	2.2
203.10791	2.3
207.08218	4.2
207.10074	16.6
208.08817	4.1
209.05899	2.5
209.09669	3.6
210.06708	8.8
211.07523	5.8
211.11314	2.7
212.08270	2.1
213.09036	2.3
215.10666	3.2
219.08072	6.4
219.10077	3.1
221.05969	7.0
221.09689	2.7
222.06648	2.5
223.07564	8.9
223.11192	5.1
224.08305	4.8
225.09103	17.2
227.07076	7.9
227.10628	4.0
229.08586	2.5
229.12230	4.6
235.07547	2.5
236.08289	4.8
237.05511	1.9
237.09113	4.3
238.06192	2.2
239.07068	5.4
239.10596	5.6
240.07840	6.2
241.08704	2.8
242.09387	3.9
243.10275	3.4
247.07584	2.7
251.06990	3.9
251.10730	8.2
253.08643	14.9
253.12172	2.6
254.09187	3.6
255.06491	3.8
255.10242	7.1
257.08060	3.2
257.11761	20.7
263.12875	1.9
265.08609	3.1
267.10199	3.7
268.07269	3.9
269.08176	2.9
269.11716	3.2
270.08780	5.0
271.13287	2.4
279.10297	6.7
283.09692	10.4
283.13318	12.5
285.11227	41.1
286.11731	3.2
289.25299	4.4
297.11255	4.9
299.09515	2.1
299.12811	4.6
302.11472	4.7
307.26447	2.1
311.12769	7.4
315.12219	17.7
317.13840	29.1
318.14484	2.0
329.13821	5.4
331.15417	5.5
343.15421	20.6
344.15527	2.2
361.16562	25.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1646
Annotation	Fisetinidol-4beta-ol 3,4,7,3',4'-pentamethyl ether
Peak:m/z	Relative Intensity
53.03943	4.6
55.01892	2.4
55.05503	3.0
56.72712	1.8
61.44170	2.0
65.03939	2.2
67.05489	4.8
69.03423	3.4
69.07055	2.3
69.43166	2.1
69.66489	6.9
69.66904	10.0
71.04992	2.6
78.04712	2.1
78.47466	2.5
79.05490	15.4
81.07056	13.5
85.02898	2.8
91.05490	25.1
93.07053	18.3
95.04964	11.4
95.08620	5.6
97.06573	2.6
98.20798	4.8
103.05473	10.5
105.07049	15.5
107.04949	38.3
107.08551	3.5
109.02863	3.1
109.06515	3.8
109.10162	4.8
111.04452	6.3
115.05466	5.0
117.07007	5.7
119.04948	7.7
121.06492	19.7
123.04441	9.9
124.05208	5.4
125.05980	2.8
127.03897	2.0
128.06198	10.6
129.07008	30.4
131.04932	11.6
131.08588	13.6
133.02870	4.3
133.06493	6.4
135.04430	4.5
135.08072	10.5
136.05119	2.1
137.05983	22.8
143.08551	2.7
145.06490	9.7
146.03645	2.1
146.07278	5.8
147.04416	4.1
147.08105	3.9
148.05225	4.4
149.05986	8.2
150.06792	2.6
151.03902	4.2
151.07549	19.6
152.04700	4.2
153.05527	13.8
153.06691	2.6
155.07129	2.8
157.06497	21.3
159.08057	5.6
161.05986	61.7
161.09644	16.8
163.07553	23.8
165.05626	3.4
165.07002	11.7
165.09100	9.9
166.06245	12.9
166.07564	2.0
167.07056	89.5
167.08524	6.0
169.06479	3.1
173.05945	4.0
174.06744	9.8
175.07553	13.0
177.00693	2.9
177.05545	3.0
177.06996	3.3
177.09125	8.3
178.07753	2.9
179.07066	6.0
179.08551	4.2
179.10698	2.6
181.05045	4.4
181.06372	5.1
181.06772	4.7
181.08601	100.0
181.10219	4.9
182.07289	7.7
182.08929	2.5
183.08105	3.9
189.09105	92.3
190.07735	3.3
191.07074	2.5
191.08643	4.1
193.06665	3.6
193.08617	3.2
194.07307	4.1
195.08099	12.5
197.05995	2.8
197.09683	9.8
199.07579	4.3
203.10704	2.0
205.06516	3.2
207.08243	4.5
207.10147	30.2
208.05212	2.4
208.08809	6.0
209.06029	2.6
209.09561	3.9
210.06792	3.5
210.10703	2.2
211.07573	5.8
211.55420	2.6
212.08270	5.7
213.09315	2.4
218.07294	2.3
219.08067	7.3
219.10269	3.2
219.19714	2.1
221.06091	3.9
221.09671	3.3
222.06804	2.6
223.07550	9.3
223.11057	5.2
224.08372	5.3
225.09109	20.4
227.07104	6.9
229.12367	3.0
235.07553	3.3
236.08289	3.6
237.09038	5.2
239.07031	6.2
239.10750	3.4
240.07828	6.7
241.08522	3.0
247.07526	2.7
249.05330	2.6
250.09908	2.3
251.07108	6.2
251.10703	6.4
253.08603	16.2
254.09096	3.0
255.10121	7.7
257.08270	2.5
257.09314	2.8
257.11774	17.9
265.08499	2.9
267.09964	2.4
269.08060	3.7
270.08923	5.7
271.13147	2.5
272.06650	6.2
272.56650	2.8
279.10184	8.0
283.09668	15.0
283.13263	11.7
285.11182	34.6
297.11407	4.0
299.09546	2.9
299.12866	5.6
301.34552	2.2
302.11459	5.0
311.12775	9.7
314.10931	2.5
315.12109	21.3
317.13855	31.9
329.13864	4.0
331.15329	4.5
343.15344	16.0
361.16461	34.8
361.23727	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1646
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	1.7
53.03949	2.9
55.01877	2.6
55.05504	3.1
56.14804	1.8
65.03947	2.6
65.64745	1.4
67.05497	3.8
69.03442	2.5
69.07061	1.9
71.04991	1.8
71.11156	3.9
75.88708	1.7
78.04701	2.6
79.05499	13.1
81.07039	6.6
83.04963	2.2
85.02902	3.3
85.06542	2.2
91.05479	20.8
93.07031	16.8
95.04971	9.5
95.08612	5.4
95.09174	1.5
103.05451	13.4
105.07038	12.2
107.04963	32.1
107.08563	3.3
109.06535	4.8
109.10146	2.8
111.04435	3.6
115.05442	4.2
117.07007	5.4
119.04951	7.0
119.08560	4.3
121.06506	18.6
121.10114	3.6
122.03656	4.2
123.04446	5.1
123.44128	1.8
124.05192	6.6
125.06006	2.5
128.06221	7.8
129.07002	24.4
131.04947	9.3
131.08572	9.9
133.02817	2.2
133.06480	7.3
134.98805	1.6
135.04456	3.8
135.08102	7.7
135.11659	2.7
137.06000	23.5
140.02592	1.6
141.06940	2.8
143.04872	1.7
143.08568	1.8
145.06487	7.0
146.07234	2.2
147.04407	5.4
147.08029	3.1
148.05200	5.8
149.05962	5.6
149.13362	1.7
150.06812	2.1
151.03908	5.6
151.07553	17.7
152.04622	3.9
153.05501	13.8
153.06706	2.2
157.06493	17.4
161.05984	39.1
161.09633	11.6
163.03867	6.0
163.07542	24.0
165.05632	2.8
165.06992	9.6
165.09122	8.8
166.06258	9.6
166.07631	2.7
167.07050	76.3
167.08527	4.5
169.06412	2.6
173.06001	2.8
174.06781	10.1
175.07570	9.6
177.09128	11.3
179.07043	3.9
179.08533	6.2
181.05083	2.9
181.06537	3.7
181.08601	100.0
182.07233	5.6
182.08760	2.6
183.08069	3.1
187.07523	2.0
189.09106	83.3
190.07755	3.6
191.08528	4.4
191.10698	3.1
193.06491	2.9
194.07227	4.6
195.08083	11.8
196.08798	2.1
197.05968	3.1
197.09604	9.2
198.65117	1.8
199.07533	1.7
199.17003	2.1
207.08109	5.2
207.10152	19.7
208.05077	2.0
208.08784	4.2
209.06021	3.1
210.06767	5.8
211.07503	5.1
212.08313	2.3
213.09010	2.5
218.07236	3.0
219.08047	5.6
219.10052	2.3
221.05986	6.3
221.09613	2.4
222.06752	4.5
223.07555	7.4
223.11218	2.7
224.08246	3.8
225.05505	3.0
225.09135	14.1
227.07066	7.6
229.12248	2.1
235.07500	3.5
236.08353	2.9
237.09073	4.7
238.06218	2.0
239.06950	5.0
239.10684	2.9
240.07861	3.9
241.08533	3.4
242.09311	2.8
247.07553	3.2
251.07065	3.4
251.10695	7.0
253.08563	16.7
254.09235	3.1
255.06696	3.8
255.10065	4.4
257.11703	16.9
257.38406	1.9
265.08786	2.7
267.06470	2.2
267.10083	3.9
268.07370	2.0
269.07971	3.6
269.11923	1.8
270.08810	3.0
271.09827	2.1
271.13217	2.6
272.08578	1.8
279.10077	5.4
281.08154	2.3
282.09000	2.0
283.09650	12.8
283.13272	10.4
285.11185	35.2
286.11877	2.1
287.09167	1.9
296.10513	3.4
297.11188	4.6
299.09180	3.5
299.12708	4.8
300.09732	2.4
302.11469	5.4
305.13828	2.2
307.26312	2.0
311.12741	9.5
315.12225	16.0
317.13818	31.3
318.14252	2.1
329.13800	4.1
331.15457	6.3
343.15433	15.6
361.16415	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	361.1643
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.7
55.01878	2.4
55.05492	1.6
55.59531	1.0
57.03423	1.5
59.04981	1.1
65.03944	2.2
67.05495	4.0
69.03439	1.4
69.80713	8.1
71.04961	1.6
78.04757	1.3
79.05484	11.6
81.03425	1.6
81.07043	4.8
83.04989	1.9
91.05475	25.5
91.06011	2.1
93.07046	13.1
95.04965	9.2
95.08612	2.0
98.21404	2.0
100.48181	1.1
103.05473	12.6
105.07018	12.2
106.04172	1.1
107.04951	33.2
107.08580	1.5
109.02904	1.9
109.06486	3.6
110.03683	1.3
111.04428	3.4
115.05432	3.5
117.05543	1.5
117.06998	7.2
118.04077	1.2
119.04918	6.5
119.08584	2.0
120.05711	4.0
121.06495	20.1
122.03637	1.4
123.04439	7.0
123.08054	2.6
124.05197	4.8
125.05950	3.7
128.06247	9.1
129.07004	27.5
131.04912	10.5
131.08571	13.3
133.02853	2.4
133.06500	4.4
134.03647	1.4
135.04414	3.4
135.08023	7.7
136.05209	1.7
137.05965	25.1
139.07498	1.7
140.04607	1.8
141.06992	2.1
143.04980	1.4
144.05807	1.2
145.06465	7.4
146.03630	2.5
146.07224	3.8
147.04382	4.9
147.08054	3.6
148.05161	4.7
149.05965	7.1
151.03880	3.2
151.07535	19.7
152.04695	3.5
152.06140	1.7
153.05472	11.0
153.06697	1.9
155.05032	1.4
155.07027	2.9
155.08453	1.2
157.06485	22.7
158.07253	2.8
159.08020	3.5
161.05977	51.8
161.09590	13.5
162.06648	1.4
163.07542	22.5
165.05649	2.1
165.06982	7.3
165.09123	8.8
166.06229	9.7
166.07597	1.9
167.07043	74.8
167.08553	6.2
169.06482	2.2
170.07329	1.2
171.08020	2.6
173.05971	2.2
174.06776	13.0
175.07515	11.0
177.06923	1.8
177.07707	1.3
177.09074	11.1
178.07759	2.8
179.07007	5.4
179.08556	5.1
179.10696	1.4
181.05034	3.0
181.06595	4.3
181.08588	100.0
182.07239	8.2
182.08891	2.8
183.08075	2.9
187.07521	2.3
189.09099	85.2
190.07755	1.3
190.09416	2.1
191.08554	4.1
191.10635	2.3
193.06454	3.9
193.08516	2.3
193.10164	1.4
194.07263	5.6
195.08043	12.9
195.09883	1.7
196.08636	1.6
197.05904	2.4
197.09583	11.3
198.06763	2.1
199.07518	3.5
201.09160	1.5
203.10765	1.7
205.06493	3.2
206.07182	1.6
207.08017	5.3
207.10107	30.6
208.05260	1.9
208.08791	5.2
209.05949	1.9
209.09612	2.1
210.06763	6.2
211.07588	6.2
212.08195	2.6
218.07329	2.2
219.08011	6.6
219.09985	1.9
220.08891	1.2
221.05974	5.4
221.09505	1.3
222.06750	4.1
223.07521	9.3
223.11110	4.1
224.08289	2.3
225.05453	3.6
225.09074	18.8
226.06204	1.8
227.07005	7.7
227.10571	2.6
229.12157	2.9
233.09631	2.6
235.07500	4.6
236.08229	4.7
237.05545	1.8
237.09064	4.2
238.06129	2.3
239.07031	6.5
239.10532	3.4
240.07797	5.8
241.08667	3.3
242.09309	2.0
247.07526	3.5
249.05434	1.7
251.07077	5.7
251.10591	6.8
252.07877	1.9
253.04800	1.8
253.08585	17.4
254.09396	2.5
255.06422	3.4
255.10179	5.4
256.07281	1.7
257.07925	1.1
257.08997	1.8
257.11682	18.0
264.07791	2.3
265.08536	2.4
267.06522	2.9
267.10086	2.8
268.07236	3.0
268.10791	1.3
269.08026	4.0
269.11673	2.0
269.28427	1.3
270.08887	3.5
271.09921	1.8
271.13199	2.7
279.10123	4.9
280.10852	1.5
281.07913	2.8
283.09631	14.5
283.13254	10.5
284.10278	1.5
285.07965	2.0
285.11203	35.1
286.11911	2.9
287.09439	1.1
296.10477	2.9
297.11249	5.5
299.09024	4.6
299.12735	6.0
300.09760	1.8
302.11441	3.8
305.13882	2.2
311.12772	10.7
314.11368	1.8
315.12177	22.2
317.13831	24.9
328.12631	1.5
329.13779	5.4
331.15399	4.6
343.15338	15.3
361.16461	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	361.1642
Annotation	(8R,8'R,9R)-4,4',9-trihydroxy-3,3'-dimethoxy-9,9'-epoxylignan
Peak:m/z	Relative Intensity
55.01852	3.4
57.74741	3.1
67.05489	4.1
70.21381	3.0
71.20124	7.3
79.05479	5.9
81.07034	5.8
86.09758	4.3
91.05473	23.8
93.07029	17.9
94.04210	4.8
95.04967	6.8
95.08597	6.5
103.05486	9.4
105.07051	7.8
107.04951	15.8
109.06516	5.4
115.05466	4.8
119.04959	12.1
119.08595	3.6
120.05704	3.5
121.06506	6.2
122.03644	6.9
123.08056	6.8
125.06010	5.1
128.06229	3.4
129.06995	12.4
131.04947	11.2
131.08583	4.5
135.04425	6.9
135.08080	7.8
137.05974	100.0
137.09676	3.4
138.06685	2.8
139.07550	3.0
146.06020	3.9
146.07184	4.7
147.04401	9.1
147.08080	4.4
148.03964	6.6
149.05995	9.0
149.09657	4.8
151.07538	70.1
153.05424	5.6
157.06509	6.0
161.05978	67.0
161.09634	15.5
163.03943	7.5
163.07559	40.4
165.07033	5.7
165.09071	22.3
166.08646	7.3
167.08490	3.4
174.06789	5.4
175.07497	6.5
177.09149	3.6
179.07057	4.7
182.11946	3.8
184.78197	3.4
189.09099	64.5
190.04959	5.8
191.81967	3.4
195.08081	11.4
207.10146	52.7
221.05914	3.5
221.09477	6.2
223.07593	4.9
225.09164	4.4
227.10670	13.5
238.06514	3.5
249.08951	3.9
253.08617	8.5
253.12323	6.5
254.55652	3.6
255.10132	12.8
281.11740	6.1
285.11172	11.7
287.12817	37.2
299.12891	5.7
313.14371	25.9
331.15442	13.4
343.15341	4.6
361.09995	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1491
Annotation	Semperoside
Peak:m/z	Relative Intensity
53.03947	1.4
53.69650	0.5
55.01859	1.7
61.02912	0.7
67.05482	2.2
69.03426	1.3
69.78146	3.2
69.78567	1.3
70.06566	0.9
77.11839	0.6
79.05484	8.0
81.03411	3.2
81.07040	2.6
84.04509	0.7
85.02904	5.2
86.09708	1.4
91.05467	4.3
93.07038	14.4
95.04961	2.6
95.08598	1.0
97.02849	1.7
97.06514	1.4
98.97576	0.6
103.05474	1.6
104.05753	0.7
107.04935	1.8
107.08585	0.8
109.02843	0.7
109.06506	1.1
109.10117	0.6
111.04427	0.8
111.08027	1.3
112.78255	0.6
121.06503	19.6
122.03635	1.0
123.04442	1.7
123.08070	7.0
127.03909	1.0
131.04924	2.2
132.05273	1.5
135.04439	0.6
135.11658	1.0
137.05971	19.7
139.07538	14.2
149.05956	6.4
151.07547	1.2
161.03047	0.7
161.09167	0.8
163.03922	3.8
163.07527	2.0
164.07912	1.2
165.05464	0.9
167.07033	100.0
168.07368	2.6
175.07518	1.5
177.09166	0.8
178.61200	0.6
181.08565	1.9
185.08113	2.6
191.07104	0.9
199.09642	30.0
200.10001	0.8
209.08141	0.8
213.60924	0.7
299.41986	0.6
307.12076	0.8
361.14343	1.0
361.18451	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1643
Annotation	Dibenzo-18-crown-6
Peak:m/z	Relative Intensity
53.05201	0.2
55.04862	0.2
55.29153	0.2
65.03928	0.7
70.57407	0.9
76.24426	0.2
79.25622	0.2
91.05479	10.3
93.07011	0.3
107.74159	0.2
119.04939	23.6
120.05281	0.5
123.08006	0.3
147.04405	100.0
148.04745	1.7
182.58342	0.2
187.34538	0.2
197.11745	0.4
209.93388	0.2
223.56381	0.2
257.25851	0.2
259.83765	0.2
307.83820	0.2
310.81650	0.3
362.32516	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1492
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.1
55.01863	2.2
55.11596	0.7
57.03416	1.0
61.02918	1.0
67.05493	1.6
69.03413	2.2
69.07045	0.8
70.06579	1.9
71.05002	0.8
71.58623	1.2
73.02893	0.7
79.05492	8.7
81.03412	4.6
81.07045	2.9
83.04900	0.6
84.04489	1.3
84.08136	0.9
85.02900	8.0
86.09697	2.1
91.05473	6.6
93.07042	15.7
94.07374	0.7
95.04966	3.5
95.08620	0.9
97.02873	2.1
97.06540	1.8
103.05453	1.4
105.06971	0.8
107.04944	2.2
107.08585	2.2
109.06511	1.3
109.10109	1.4
111.04441	0.9
111.08068	1.9
116.07112	1.4
121.05646	1.1
121.06504	19.5
122.06828	0.8
123.04445	2.6
123.08047	7.1
127.03929	1.5
129.01822	0.7
129.10202	0.8
131.04965	1.5
131.08539	0.7
132.05234	1.0
135.04390	1.5
135.11719	1.0
137.05977	20.7
137.07057	1.1
139.07541	14.2
140.04672	0.7
145.02817	1.0
145.04892	1.3
149.05948	5.5
151.07552	2.1
153.12788	0.8
153.85387	0.7
155.06976	1.2
163.03897	5.2
163.07591	2.1
164.07985	0.7
165.05505	1.6
165.09090	1.2
167.07037	100.0
168.07370	2.5
175.07655	1.2
181.08585	2.4
185.08044	3.1
192.76053	0.7
195.11084	0.7
199.09641	32.2
200.09949	1.0
209.08121	0.9
237.02977	0.8
248.03003	0.8
361.14166	2.3
361.18433	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.2743
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01366	2.8
51.73130	2.4
53.03926	4.2
55.01863	3.7
55.05509	33.0
59.05008	4.7
67.05501	58.3
69.03406	3.5
69.07064	39.1
70.56592	5.2
70.56898	2.5
71.04990	100.0
73.06532	6.2
79.05492	61.5
81.03405	5.1
81.07056	49.8
83.04972	3.1
83.08627	21.6
85.06539	6.1
87.08095	3.0
91.05471	26.7
93.06473	4.3
93.07040	66.2
95.04950	6.5
95.08601	33.6
97.06520	12.5
97.10172	30.6
105.07031	26.9
107.04951	4.2
107.08589	54.7
107.97947	2.5
109.06474	4.6
109.10153	38.9
111.08072	4.8
117.07006	8.4
119.08578	16.9
121.10141	52.1
123.11656	6.3
125.09620	26.3
131.08553	10.8
133.10124	21.1
135.08067	4.9
135.11656	20.3
137.09619	4.2
145.10092	8.2
147.04388	10.3
147.11691	13.2
149.09612	8.2
149.13248	9.3
153.12758	30.0
155.10617	5.5
159.11703	13.9
161.13266	5.4
162.03091	29.4
163.11188	6.5
171.11642	2.9
173.11743	74.5
177.12694	8.2
179.14340	3.3
181.82111	2.9
189.11211	29.9
195.13777	14.1
208.02422	3.7
209.15434	5.1
213.14983	3.9
227.14197	1.9
227.16415	54.0
239.17822	5.2
257.18973	9.6
275.20035	72.4
276.20236	3.3
293.21078	7.5
295.65350	2.5
307.22678	11.9
311.50546	2.8
384.57611	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	360.2742
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60489	3.6
53.03937	6.5
55.01866	5.2
55.05510	45.1
59.04990	9.7
65.23428	3.5
66.00951	3.4
67.05504	72.8
69.03424	8.9
69.07067	62.8
69.40980	40.0
71.04994	73.5
73.02914	5.1
73.06541	7.0
79.05493	70.0
81.03421	5.6
81.07048	47.6
83.04983	9.7
83.08633	30.1
85.02907	6.9
85.06569	4.0
87.08084	5.5
91.05485	39.0
93.07045	73.7
95.04977	9.5
95.08610	32.9
97.06536	25.3
97.10162	37.3
99.13740	4.0
100.79284	3.7
105.07026	27.1
107.04990	8.6
107.08589	71.0
109.06548	7.6
109.10157	59.3
111.08089	8.2
115.07548	11.0
117.07044	9.2
119.04951	14.1
119.08604	19.6
121.06554	6.5
121.10149	70.9
123.04408	4.7
123.11720	8.0
125.09614	31.4
127.03864	4.2
131.08540	4.8
133.10146	22.1
135.11685	15.8
145.10147	9.1
147.04410	41.4
147.08046	13.3
147.11671	10.3
148.04776	5.6
149.09618	10.2
153.12740	70.7
155.10687	12.5
159.11647	6.2
163.11214	4.9
173.11757	100.0
173.13152	4.4
179.14331	5.1
189.11218	38.8
190.08653	10.5
208.09734	23.9
225.21178	3.9
257.18973	4.4
275.20084	66.2
276.20465	5.0
301.95602	4.6
360.22171	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	360.2169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08316	2.4
57.54584	2.6
58.43358	2.9
67.05490	3.1
69.76635	17.8
79.05508	2.9
85.02917	2.9
91.05484	7.8
93.08459	2.9
97.02912	3.2
107.08586	11.5
109.10158	12.7
116.20893	2.7
119.04939	17.9
130.11617	2.6
130.41647	2.5
147.03230	5.0
147.04408	100.0
148.04657	4.1
151.11195	9.5
184.52263	2.7
212.10481	3.0
302.40320	3.9
360.21503	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1651
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.1
55.01862	2.5
57.03426	1.4
61.02907	2.6
67.05489	0.8
68.05823	0.6
69.03429	4.7
69.52073	5.6
71.04999	0.9
73.02910	1.2
79.05474	1.9
81.03411	2.7
85.02903	22.6
91.03945	1.2
91.05476	3.0
92.90463	0.6
93.07024	3.7
95.04975	0.6
97.02892	6.9
99.04453	1.1
103.05451	5.4
105.07011	1.2
107.04973	4.4
109.02863	2.0
111.67706	0.7
121.06497	14.5
123.04434	1.0
125.02343	2.3
127.03895	2.9
129.07004	1.0
131.04939	2.3
131.08577	0.7
135.08031	2.7
137.05927	1.4
137.34677	0.6
140.04681	19.6
145.04951	4.8
145.06483	0.8
149.05991	15.1
153.05463	8.1
155.18008	0.6
157.06516	1.4
161.05978	2.8
161.09605	0.6
163.06178	0.8
163.07506	2.5
165.09201	0.7
166.06224	1.6
167.07068	4.3
168.07474	0.7
174.06776	0.8
175.07549	0.7
180.08699	3.2
181.08592	100.0
182.08946	2.0
189.09123	3.9
195.08043	0.9
207.10274	1.0
208.09125	0.8
225.09154	1.4
253.08533	0.9
257.11734	0.7
283.09769	0.7
283.13315	0.8
285.11066	1.4
315.12051	0.7
317.13788	1.3
361.16425	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1651
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	3.5
56.96582	1.7
57.03424	5.6
58.06600	1.6
60.04526	54.7
61.02935	10.1
62.06092	1.9
67.05494	1.7
69.03429	19.8
69.47157	6.9
69.47598	8.1
70.03748	1.9
70.06601	4.4
72.08166	9.0
73.02908	6.2
74.06083	1.6
79.05495	2.3
81.03413	7.2
81.07050	6.6
82.06612	1.8
83.01334	1.8
84.04510	7.7
85.02903	53.9
86.03205	2.1
86.06070	3.3
86.09702	9.4
87.04502	1.7
91.03963	2.4
91.05476	20.7
93.07024	9.7
95.04971	5.5
95.08614	2.8
97.02892	20.2
97.06520	1.7
98.97570	2.8
99.04425	4.7
101.02367	1.5
103.05487	4.5
105.07017	2.4
107.04945	10.4
107.08614	2.6
108.08111	2.9
109.02873	6.0
109.06512	6.4
110.06038	4.4
115.05491	2.5
117.07001	6.1
119.04942	10.9
119.08552	2.1
120.08097	2.4
121.06498	43.4
123.04434	10.6
123.08054	1.9
126.05507	6.7
127.03918	16.8
131.04935	6.2
134.05969	2.3
134.09680	6.6
134.99667	1.9
135.04436	2.8
135.08038	8.4
136.07599	5.2
137.05977	100.0
138.06325	2.5
138.09123	4.7
145.04996	13.3
145.06483	12.4
147.04424	2.1
148.06058	2.1
150.09183	3.7
151.07588	5.3
152.07050	2.2
152.10728	2.7
153.05487	3.3
154.08684	7.8
155.07011	7.4
158.99580	1.8
162.07796	2.3
162.09131	40.2
163.03905	5.7
163.07535	39.1
167.06998	1.8
170.08136	5.9
180.06648	3.0
180.08629	4.4
180.10199	74.1
181.04971	4.7
181.08597	19.1
185.16507	7.3
196.09836	2.0
198.07646	4.7
198.11276	55.2
202.06726	3.5
206.10284	5.4
211.07246	2.1
213.15962	3.5
229.03729	1.6
237.02754	2.8
261.14474	1.8
263.42520	1.6
267.13062	2.1
274.16034	1.7
325.12729	2.9
342.15451	7.0
360.13092	2.1
360.16641	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	360.1651
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11162	0.3
53.03936	0.5
53.92512	0.4
57.03428	0.7
60.04518	0.4
61.02911	1.3
69.03414	2.0
69.57056	0.7
69.57462	2.3
72.08162	0.6
73.02905	0.4
79.05499	0.5
81.03413	0.7
85.02901	5.9
86.09690	1.3
87.04448	0.4
88.51203	0.3
91.03960	0.5
91.05465	0.6
94.28983	0.3
95.04942	0.6
97.02888	1.7
103.05460	34.0
104.05787	0.4
107.04944	0.4
107.08598	0.4
109.02877	0.6
119.04952	0.4
121.06459	0.4
123.04504	0.4
127.03918	1.0
130.82541	0.3
131.04918	100.0
132.05228	1.8
135.04369	0.7
137.05988	1.8
145.04938	1.7
147.04388	1.3
149.09648	0.6
163.03922	3.7
163.07533	41.3
164.07843	0.7
165.05484	0.6
167.07013	0.5
170.97231	0.4
177.09096	1.3
180.08698	1.2
180.10139	0.5
181.04929	1.6
181.08551	0.4
198.11150	0.5
208.09647	0.4
247.13673	0.3
360.14166	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.165
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.6
53.34559	0.5
57.03426	1.0
61.02916	2.0
62.93079	0.7
67.38033	0.5
69.03432	3.5
69.60912	0.5
71.58105	1.0
72.08159	2.6
73.02911	0.8
76.14850	0.6
81.03417	1.3
81.07056	0.7
85.02901	11.4
86.09709	0.7
91.03947	0.7
97.02898	3.3
98.57510	0.5
100.70200	0.6
109.02847	1.1
109.10188	0.6
117.07048	1.4
123.04423	100.0
124.04729	1.9
127.03893	2.0
131.83917	0.6
135.08076	1.9
145.04948	1.9
145.06453	2.7
163.03836	0.8
163.07535	34.4
164.07874	0.9
180.08702	1.9
181.08594	10.8
193.06598	0.6
198.11281	1.8
201.12369	0.6
204.08336	0.6
229.11926	0.9
327.14728	3.1
339.73413	0.6
343.14310	0.7
360.14441	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	360.1647
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14946	0.4
55.01883	0.5
57.03432	0.6
58.06602	12.8
59.04961	0.4
60.04534	0.6
61.02911	0.9
66.11052	0.4
69.03429	1.5
70.06584	0.9
71.04992	0.8
71.58892	0.8
74.36939	0.5
79.05468	0.5
81.03421	0.6
81.07050	1.2
85.02900	7.5
86.09699	1.3
89.03915	0.6
91.05463	1.4
92.72425	0.5
93.07045	1.2
97.02884	2.0
98.97588	1.3
99.90665	0.5
106.57085	0.5
107.08577	1.7
108.08898	0.9
109.02859	1.0
109.06520	1.5
117.07011	0.8
120.08076	0.6
121.06498	2.5
121.10172	0.5
123.04426	100.0
124.04756	2.3
127.03911	1.1
131.04927	1.5
135.04457	0.7
135.08072	2.0
135.11685	0.8
137.05977	0.9
138.06435	0.5
145.05003	1.5
145.06490	2.0
149.09607	5.1
163.03923	3.8
163.07541	36.9
164.07851	0.8
180.08739	0.8
180.11102	0.7
181.08588	11.8
189.12495	0.5
189.37404	0.5
191.07092	0.7
197.11786	1.0
198.11989	1.7
238.06300	0.8
253.08734	1.4
255.06552	6.7
265.08466	0.8
275.09616	0.7
285.61188	0.6
297.11255	0.7
300.06274	3.3
315.08609	15.6
315.11792	0.9
316.09067	1.1
327.14722	4.8
328.15900	0.6
342.16876	1.3
360.14197	7.6
360.17825	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.3
55.01863	8.2
56.84106	0.9
56.96568	2.2
57.03444	7.5
61.02922	6.9
62.06075	2.8
63.69570	0.9
69.03432	32.1
69.46925	8.2
70.06596	1.5
71.04985	2.8
72.93842	1.0
73.02926	7.7
79.05495	1.6
81.03410	5.1
85.02906	100.0
87.04483	1.8
89.03925	11.6
89.87537	1.0
91.03956	4.2
91.05439	1.2
95.76990	1.1
97.02280	1.8
97.02898	33.9
98.97569	1.0
99.04452	8.0
101.02379	3.8
103.05495	1.7
107.04955	2.7
109.02882	6.5
112.99154	1.3
115.03928	4.2
116.98589	1.7
117.03369	9.3
119.01908	4.7
127.03916	71.2
127.70776	1.1
128.04160	2.1
131.00192	5.1
131.01923	1.8
131.04918	5.2
135.04413	17.4
143.01967	2.3
145.02783	10.5
145.04958	64.2
146.05290	1.8
149.01218	3.8
155.01874	2.8
158.99715	1.1
161.02975	4.0
163.03908	84.9
163.05949	20.8
163.07422	2.4
164.04326	5.6
169.03430	6.0
171.05013	2.8
173.02945	3.0
174.04564	1.2
175.02715	1.3
178.04941	2.8
180.08675	3.9
183.05043	1.5
185.02917	5.9
187.04446	8.0
189.00722	1.1
197.02986	3.9
198.09731	2.0
199.04568	1.2
203.02303	1.2
203.04002	2.1
211.04601	1.2
215.04034	4.4
223.38463	1.1
227.04196	1.2
237.02763	1.3
245.05173	9.3
257.05228	1.2
265.06357	1.5
275.06131	15.1
276.06488	3.6
277.05878	1.7
287.06091	1.7
289.09354	1.6
293.07181	3.5
301.03821	1.1
305.07285	2.8
329.03528	3.3
335.08160	2.2
349.07925	2.4
367.09238	2.3
371.68881	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1287
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.8
58.06596	1.0
61.02915	0.7
69.03429	1.2
71.04978	0.9
71.16515	1.1
77.69590	0.4
79.05424	0.5
81.03436	0.6
81.07037	0.6
85.02907	5.2
86.09695	1.1
91.05470	1.6
92.05794	0.6
97.02877	1.6
101.08127	0.5
103.05459	0.8
105.06998	0.8
109.02872	0.5
119.04955	0.8
119.08562	0.6
121.02859	2.7
127.03908	0.6
131.04930	1.0
133.02855	2.7
135.04427	2.3
137.06000	3.5
138.06302	1.5
143.04968	0.6
145.04994	0.7
149.02332	100.0
150.02647	1.2
161.05904	0.8
162.06429	0.5
163.03896	75.0
164.04221	1.0
167.03398	1.9
175.07539	0.7
176.57776	0.5
180.08702	1.2
180.88954	0.5
181.04951	34.0
190.05020	0.6
198.32593	0.5
219.07964	0.6
229.08698	0.5
232.27596	0.5
252.10953	0.6
255.06665	0.7
266.08939	0.5
274.04190	0.5
280.10455	1.1
298.11517	0.7
312.13000	1.1
342.13724	0.6
360.14774	1.2
378.31030	0.5
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	Grevilloside B
Peak:m/z	Relative Intensity
53.51485	0.4
56.79363	0.5
58.23235	0.4
61.02913	1.1
65.61647	0.5
67.05476	0.6
69.03429	2.7
69.37168	4.0
73.02908	0.9
79.05471	2.0
81.03419	0.9
81.07024	1.2
85.02897	7.6
86.09682	1.3
91.05483	2.5
93.07043	5.3
95.08599	1.0
97.02879	2.0
99.04478	0.6
105.07011	5.9
107.08588	27.1
108.08917	0.8
109.02837	0.6
109.06525	0.9
109.10133	1.4
119.08561	3.8
121.06504	0.7
121.10148	4.6
123.08086	0.7
123.11703	1.1
127.03902	1.5
131.08575	0.8
133.06480	0.7
133.10129	15.1
134.10429	0.6
135.11684	0.6
137.05942	1.2
137.09592	0.5
139.06509	0.6
139.07544	1.4
145.04930	1.2
149.09608	3.8
151.07603	0.6
151.11191	6.4
154.80746	0.5
161.09628	4.0
163.03972	0.5
167.06961	0.6
167.10678	13.0
179.09087	0.7
179.10670	13.2
180.11008	0.7
197.11725	100.0
198.12086	3.0
235.07481	0.7
257.74908	0.5
319.56232	0.5
331.11594	1.0
341.10010	0.7
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	Unknow
Peak:m/z	Relative Intensity
53.03941	0.9
55.01850	1.0
56.96546	0.5
57.03421	1.6
57.07070	0.7
58.06589	1.5
59.04977	1.1
61.02941	2.7
67.05496	1.7
69.03426	6.7
69.04214	0.4
69.07053	1.0
71.04993	0.8
71.61306	0.6
73.02895	0.8
73.57677	0.4
79.05478	1.6
81.03411	3.1
81.07036	2.0
83.01299	0.4
83.04981	0.5
84.69132	0.4
85.02902	26.5
86.09694	1.2
87.04436	0.5
91.03943	0.9
91.05470	4.8
93.07040	8.3
95.04961	3.1
95.08585	1.2
97.02895	6.7
97.06495	0.5
98.97585	0.9
99.04442	1.3
99.08066	0.5
103.03935	0.5
103.05461	3.4
105.07023	6.3
107.04952	0.6
107.08591	19.2
109.02866	2.4
109.06513	1.6
109.10162	2.2
116.98615	0.6
119.04951	0.6
119.08583	2.3
121.06465	1.8
121.10139	0.5
123.04449	1.0
123.08079	0.5
123.11714	0.8
127.03903	5.3
131.04921	6.0
131.08496	0.6
133.10126	18.6
135.04420	0.5
135.08023	0.5
135.11691	20.4
136.12024	0.7
137.06004	2.6
137.09599	1.4
143.08536	0.6
145.04961	3.0
151.11180	1.5
154.59778	0.5
161.05920	0.5
161.09619	11.5
163.07513	1.8
175.07591	0.6
177.05464	0.7
179.10669	33.4
180.11017	0.5
197.11728	100.0
198.12029	3.7
200.04500	0.5
219.01933	0.5
228.13480	0.7
237.02927	0.6
238.14412	0.5
283.09305	2.3
283.59201	0.5
314.11456	0.5
341.13937	0.5
359.16919	2.2
359.74277	0.4
360.14456	0.5
374.75156	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1851
Annotation	Antibiotic DT 136B
Peak:m/z	Relative Intensity
55.05523	0.7
57.07063	0.7
65.03938	1.1
67.05492	1.9
69.07088	0.9
71.71770	0.5
74.64529	0.7
75.27352	0.6
79.05489	5.0
81.07053	1.2
91.05473	9.6
91.40414	0.5
93.07038	10.3
95.04971	0.8
97.02832	0.5
98.21532	1.2
98.97566	0.6
105.07007	0.9
107.08597	20.8
109.06518	0.6
119.04945	21.6
135.11690	39.6
136.12016	0.9
147.04411	100.0
148.04726	2.7
149.01208	1.5
153.12753	0.9
163.20801	0.6
165.05492	1.6
167.02312	0.5
167.54419	0.6
172.13544	0.6
182.96997	0.7
185.24179	0.6
195.13780	3.6
278.14618	0.8
292.03375	0.6
299.16357	0.9
359.17242	3.4
359.67319	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1489
Annotation	Leptolide
Peak:m/z	Relative Intensity
51.16020	0.7
53.03943	0.7
55.01870	1.4
55.08503	0.7
65.03931	3.4
65.25397	0.7
67.05496	1.4
69.03433	1.7
69.07072	1.1
69.37409	7.4
71.03542	0.7
71.73785	0.7
79.05489	2.0
81.03423	0.9
81.07056	2.1
82.04179	1.0
85.02881	2.6
91.05464	3.2
93.07038	1.7
95.04966	2.1
95.08597	1.4
97.06541	1.6
98.21516	1.4
103.05472	2.0
105.07053	1.4
107.04955	2.9
109.02887	2.1
110.03656	3.3
111.04432	3.5
115.05478	1.2
117.07022	1.3
120.60004	0.7
121.02868	7.4
121.06491	10.8
121.10151	1.2
122.06828	5.3
123.04424	1.0
125.05985	2.9
127.03876	0.8
128.06187	0.7
128.61240	0.9
129.06990	1.3
131.04932	1.7
135.04454	1.2
135.08063	4.2
137.06006	3.6
141.06998	1.4
142.02559	1.1
143.08580	0.9
144.05727	1.5
145.06464	3.1
146.07219	1.0
147.08133	1.2
147.11642	0.7
149.02364	3.0
149.05992	1.3
151.07474	1.6
153.05473	5.4
155.08514	1.0
159.08040	6.5
160.08647	0.9
161.05992	3.0
161.09619	2.3
162.06789	1.4
163.03836	1.3
165.01704	0.7
165.06989	2.3
166.07788	1.1
167.07034	5.0
167.08572	3.2
169.06502	2.2
171.06528	1.3
173.06157	0.9
175.07588	1.1
177.06978	1.1
177.09062	1.5
178.07813	2.7
179.08498	1.2
181.04967	19.7
181.06487	3.9
181.08542	1.1
182.07245	2.6
183.08054	2.2
184.05203	1.0
185.09615	0.9
187.07520	0.8
188.08299	1.1
189.07025	1.0
189.08652	1.8
191.08577	1.4
193.06477	1.4
193.10133	1.5
194.07175	1.7
195.08044	8.1
196.08842	1.7
197.05923	3.4
197.09634	1.7
198.06863	1.4
202.07823	1.1
203.08574	1.5
205.06502	1.4
206.07286	3.2
207.08086	2.9
209.05981	2.8
209.09618	2.7
210.06781	4.6
210.10303	1.0
211.07619	4.4
212.08308	3.0
213.09033	2.1
218.07336	1.1
219.08061	2.2
220.08775	1.6
221.06075	1.8
221.09612	11.1
222.06731	2.6
222.10356	2.7
223.07536	9.6
223.11165	1.8
224.08257	3.5
225.05472	2.0
225.09076	5.5
227.07043	3.9
227.10666	2.7
229.08459	0.9
233.06071	0.9
234.06761	2.2
235.07497	2.7
235.11072	1.0
237.05441	1.2
237.09085	6.2
238.06226	3.0
238.09851	8.8
239.07028	5.8
239.10689	2.7
240.07779	10.6
241.08563	2.5
242.05696	1.6
248.08264	1.4
249.09109	6.6
250.09894	2.8
251.07019	4.9
251.10667	1.4
252.07770	5.3
253.08604	22.2
253.12268	7.7
254.05659	0.9
254.09415	3.6
255.06546	5.8
255.10196	6.7
256.10843	0.9
257.08093	7.3
265.08563	5.2
266.09378	5.7
267.06561	2.1
267.10144	5.4
268.07367	5.0
269.08072	10.0
269.11185	1.2
270.08911	2.2
271.09448	1.0
277.08548	1.3
279.10220	1.1
281.08145	8.0
281.11749	9.0
282.09042	1.6
282.12225	2.7
283.06070	4.1
283.09637	14.6
284.10382	3.1
285.07565	3.4
285.11237	2.5
285.14429	0.8
294.08902	0.9
295.09595	2.6
297.07770	5.1
297.11160	1.8
297.14420	3.2
298.08365	8.9
298.11893	3.3
299.12778	8.6
300.09933	17.3
309.11224	6.1
310.11920	1.7
311.09149	1.6
313.10684	70.7
313.14352	47.6
314.11047	2.8
314.14587	1.6
325.10623	1.3
326.11377	5.4
327.08368	1.6
327.12268	31.5
328.12726	2.5
328.16318	3.7
331.11505	1.3
331.15387	18.9
341.13828	34.5
344.12384	1.1
359.14865	100.0
359.20352	20.4
360.15118	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	359.1486
Annotation	Saururin A
Peak:m/z	Relative Intensity
52.37201	0.5
52.81647	0.5
64.96176	0.6
65.02461	0.6
65.03929	1.1
67.05480	0.9
69.55411	1.1
69.55817	3.5
79.05491	0.9
81.07048	1.3
91.05476	12.9
93.07045	1.2
94.55329	0.5
95.04988	0.7
95.08587	1.2
105.07020	1.6
107.04958	3.1
107.08615	1.1
119.04941	26.9
135.08070	1.0
135.11684	1.5
147.04408	100.0
148.04752	2.6
159.42386	0.6
163.07576	1.4
165.83252	0.6
167.07069	2.3
194.09453	0.6
217.11089	0.6
242.65257	0.6
308.47693	0.6
353.90222	0.6
359.22000	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1487
Annotation	Prestegane B
Peak:m/z	Relative Intensity
53.03943	2.0
54.57732	1.4
55.01861	3.2
55.13817	1.3
58.06586	3.7
65.03929	2.3
69.03423	1.7
69.07048	1.8
69.67944	10.4
71.04945	1.9
71.35586	1.5
75.89832	1.5
79.05486	4.5
81.07031	2.4
85.02885	3.0
85.35672	1.5
85.48186	1.5
86.09698	11.3
87.05552	1.9
91.05476	18.7
93.07035	1.7
94.04168	4.1
95.04956	3.3
97.02895	2.6
98.21487	1.9
103.05459	28.3
104.73038	1.4
105.03384	2.1
105.07003	9.5
107.04929	6.3
107.08540	2.5
109.06511	4.2
111.04403	2.5
115.05455	4.9
117.06998	4.0
119.04940	15.0
119.08561	2.6
121.06516	4.8
122.03650	7.2
128.06224	1.7
131.04930	43.3
131.05922	2.1
131.08539	1.7
133.02890	2.1
133.06508	5.0
135.04414	2.6
137.05972	100.0
143.04927	4.9
144.05769	2.1
145.06477	5.7
146.03571	1.6
147.04398	10.8
147.08046	4.3
149.02332	55.4
149.03490	3.3
149.05983	12.7
151.07520	8.3
155.11768	1.9
159.08041	5.2
160.05225	5.9
161.05974	24.5
162.06773	6.7
163.03889	41.7
163.07529	18.4
165.06987	2.4
167.07014	7.5
173.05843	2.7
174.04919	1.5
175.07556	25.9
177.09206	1.9
179.07050	9.3
179.08566	3.6
179.10434	1.5
181.04958	14.9
181.06393	2.8
187.07521	14.6
189.07040	2.0
189.09015	1.8
190.06273	1.7
190.07793	2.3
191.07030	2.3
191.08517	7.7
193.06589	1.4
193.08585	6.7
194.07149	3.8
197.11736	5.3
200.13911	8.2
203.08496	2.0
205.06842	2.6
205.08603	10.7
207.07970	4.8
208.08633	2.1
210.06810	3.1
214.51071	2.0
217.08545	2.1
218.07115	2.6
219.07991	9.1
221.09732	2.4
222.06702	2.7
228.13498	2.4
231.08043	4.6
235.07481	3.5
236.08376	3.4
237.09120	2.6
239.10602	3.0
247.07608	5.7
248.08298	2.0
249.09099	2.0
250.06308	2.0
250.09506	1.9
251.10756	7.3
263.10553	3.3
264.07727	2.6
265.08560	9.9
267.10089	2.2
279.10117	15.5
281.08154	2.1
281.11600	1.6
285.11081	2.5
291.10141	5.3
295.09814	2.5
296.10403	3.2
297.11243	11.2
299.12756	8.8
309.11090	7.5
310.12112	2.6
311.12787	16.9
323.12836	2.1
326.11105	2.0
329.13885	6.0
341.13846	9.8
359.14783	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	359.1487
Annotation	Negundin B
Peak:m/z	Relative Intensity
55.36370	3.1
62.49064	3.7
65.03952	4.9
69.25849	3.3
69.97514	22.6
74.10728	3.5
79.05471	5.4
81.03433	4.7
83.04993	4.5
88.98832	3.6
91.05489	10.3
93.07067	4.7
93.91137	3.4
95.04974	4.4
95.08590	5.3
97.02791	3.8
98.21459	5.4
103.05484	6.9
105.07011	4.6
107.04953	9.5
107.08619	4.0
109.02863	4.9
111.04485	4.3
115.05482	3.8
117.06927	4.4
121.02911	7.2
121.06507	13.7
122.03644	5.3
125.05987	5.6
131.04930	15.0
135.08037	5.9
137.05980	70.6
138.06323	7.9
150.06779	4.6
151.03899	23.4
151.07153	4.2
152.04233	7.7
153.05481	9.2
160.05202	4.7
161.06001	4.8
163.07500	4.2
167.07045	6.9
172.05266	4.4
175.07555	6.0
181.04991	10.1
182.07259	3.7
187.07553	15.0
189.09094	7.0
195.08078	8.4
196.83418	3.7
197.05974	6.0
202.07762	4.4
205.08636	5.3
207.08124	4.2
209.09735	4.2
211.07562	10.4
217.08545	4.5
220.08716	4.7
221.09656	9.3
222.06725	4.7
223.07541	11.4
225.09068	4.8
227.07039	22.3
231.08122	7.9
235.07484	5.0
237.09178	7.9
239.07222	4.3
240.07797	11.3
241.08594	6.3
248.08301	9.0
249.09032	5.6
251.10555	4.5
253.08696	21.2
255.06607	22.2
255.10219	5.5
256.07370	5.3
257.08099	6.0
263.07007	4.5
263.10629	10.5
265.08551	7.9
267.10126	6.2
268.07431	8.4
269.08054	15.6
270.08841	46.0
271.09653	11.8
276.07901	4.8
279.10226	9.8
281.08316	7.8
281.11697	7.1
283.09613	17.4
284.10141	4.8
285.11481	4.8
291.10074	17.7
295.09549	8.0
296.10263	5.3
297.11218	6.0
299.12762	7.8
300.09940	9.0
308.10425	5.6
309.11191	10.0
311.12454	4.4
313.10703	40.0
313.14334	30.1
323.12720	38.6
326.11258	7.3
327.12244	30.0
331.15427	9.8
341.13904	32.6
359.10565	6.9
359.14807	100.0
359.20331	20.8
360.15411	5.4
382.17758	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	359.1488
Annotation	Leptolide
Peak:m/z	Relative Intensity
58.72735	0.8
59.44486	0.7
65.03942	4.6
67.05502	1.3
69.03438	0.8
70.66325	2.9
79.05479	1.1
82.04189	1.1
85.02901	1.6
91.05462	1.4
93.03405	0.9
94.87310	0.8
95.01336	0.8
95.04968	1.2
97.06537	1.3
105.06982	0.7
107.04939	2.9
109.95016	0.8
110.03651	2.3
111.04436	3.4
115.05453	1.1
117.06979	1.3
121.02866	9.5
121.06521	12.0
122.06825	5.9
123.04475	1.2
125.05963	3.8
129.07016	1.2
133.06467	0.9
135.08047	4.3
137.05942	1.4
144.05698	3.2
145.06418	1.2
149.02347	3.4
152.06192	1.6
153.05455	5.1
153.06883	1.7
159.08083	5.1
160.08319	1.1
161.05974	1.9
161.09631	2.0
162.06760	1.0
164.81433	0.8
164.82858	0.8
165.01759	0.9
165.06984	2.5
167.07002	4.7
167.08479	1.6
169.06453	1.6
171.06496	1.1
172.48793	0.8
174.09210	0.9
177.06961	1.7
178.07742	2.7
179.08604	1.4
181.04947	24.6
181.06479	5.3
181.10016	0.8
182.07222	3.0
182.08693	0.9
183.08012	2.2
188.08339	0.8
189.08650	1.0
190.07800	0.8
191.08565	2.2
192.09367	0.9
193.10231	1.0
194.07275	2.9
195.08061	8.5
196.08795	1.4
197.05959	2.8
197.09619	1.9
198.06770	1.2
199.07516	1.4
199.11186	1.0
203.08562	1.4
205.06505	1.5
206.07259	3.1
207.08031	3.3
209.05927	2.6
209.09572	2.1
210.06754	4.5
210.10188	1.4
211.07521	4.8
212.08397	4.1
213.09047	1.3
218.07338	1.1
219.07986	1.0
219.10149	1.0
220.08788	2.3
221.06032	1.4
221.09618	8.0
222.06688	1.7
222.10371	2.6
222.12547	0.9
223.07518	10.7
223.11134	2.1
224.08279	5.1
225.05444	1.2
225.09071	4.6
226.06364	1.0
227.07101	5.4
227.10703	3.7
228.07661	0.9
233.05933	1.0
234.06755	1.9
235.07521	3.3
236.08041	0.9
237.05431	1.7
237.09071	8.2
238.06190	2.6
238.09885	9.0
239.07001	7.5
239.10585	2.7
240.07771	11.1
241.08505	3.4
242.05542	1.7
248.08305	1.1
249.09036	6.4
250.09874	3.2
251.07054	6.1
251.10703	1.3
252.07848	7.5
253.08569	21.7
253.12209	8.6
254.09366	4.5
254.12575	0.8
255.06557	6.0
255.10135	7.2
256.07303	1.1
257.08054	8.4
257.10828	1.0
265.08618	5.6
266.06104	1.0
266.09360	4.4
267.06293	1.3
267.10138	5.5
268.07352	4.9
269.08075	12.8
270.08939	4.7
270.11765	0.9
277.08640	1.5
280.07373	1.2
281.08090	7.2
281.11676	8.9
282.08826	2.2
282.12061	1.7
283.06009	3.3
283.09634	17.6
283.12820	0.7
284.10361	2.9
285.07559	3.6
285.11169	1.9
285.14548	1.6
294.08902	1.2
295.09708	1.7
297.07693	6.6
297.11145	2.1
297.14349	2.3
298.08328	8.5
298.11942	3.7
299.12787	7.9
300.09918	19.2
300.13284	1.7
303.15863	1.3
309.11188	6.7
310.11963	2.8
311.09164	1.8
311.12509	1.0
313.10663	75.0
313.14322	49.8
314.11105	2.3
314.14645	1.7
323.12692	1.0
325.10339	1.1
326.11292	3.6
327.08340	1.6
327.12268	36.7
328.12680	3.7
328.16318	2.6
331.15424	18.2
341.13800	41.5
342.14063	0.9
344.12698	1.0
359.14844	100.0
359.20319	22.4
360.15173	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	359.1486
Annotation	3,3'-bis(3,4-dihydro-4-hydroxy-6-methoxy-2H-1-benzopyran)
Peak:m/z	Relative Intensity
53.03931	0.7
65.03905	0.6
68.97842	0.5
69.53931	4.3
77.58828	0.5
79.05482	0.8
85.78490	0.6
91.05466	1.1
95.04974	1.7
103.05471	53.5
105.03300	0.5
105.07037	1.4
107.04955	8.5
111.04395	0.9
119.04971	1.1
123.04424	0.8
131.04930	100.0
132.05240	1.3
133.06490	1.7
137.05971	5.7
145.06506	0.5
147.04425	1.7
149.05959	1.3
151.03947	0.8
151.07578	1.0
159.86626	0.5
161.05981	4.3
162.06772	0.6
163.03914	1.8
163.07549	27.2
167.07094	1.5
169.06586	0.6
175.07510	1.6
177.05429	0.9
179.07043	0.9
187.07452	0.9
187.39566	0.5
193.04933	0.7
205.08737	0.5
207.08025	1.3
211.07668	0.7
219.08118	0.9
223.07472	0.9
224.34526	0.6
225.09203	0.6
235.05775	1.2
235.07773	1.5
239.07155	0.8
240.07930	0.8
253.08643	2.5
255.06779	0.8
263.07053	0.7
264.07587	0.8
267.06537	1.4
268.07352	0.8
269.08124	0.8
277.04266	0.5
280.07297	0.7
281.08136	3.6
282.08810	0.7
283.06097	0.9
298.08481	0.6
299.09082	1.6
299.12442	0.6
309.07529	0.6
311.12772	1.2
313.10635	3.7
323.09192	1.8
329.10229	1.4
331.11661	2.6
341.10196	7.3
341.13943	1.0
342.14478	1.4
359.11154	2.0
359.15076	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1486
Annotation	Negundin B
Peak:m/z	Relative Intensity
51.62556	1.8
57.03420	2.2
60.26871	2.1
69.52288	14.9
69.52709	5.0
79.05482	4.3
81.07063	4.9
85.02891	5.2
86.03230	2.0
91.05480	9.3
93.07028	6.5
95.04964	4.3
98.97549	3.1
103.05468	5.9
104.63922	1.8
105.07004	7.4
107.04938	7.2
109.06523	6.5
115.05450	7.5
117.03415	2.1
119.08549	2.6
121.06494	6.8
122.03632	3.4
123.04429	5.3
131.04881	4.8
133.06451	5.4
137.05972	86.1
143.04878	6.8
144.05652	2.4
146.03601	4.1
147.04420	7.3
147.08105	2.9
149.05954	12.8
151.03911	4.4
151.07568	2.5
153.05414	2.6
155.04869	2.9
160.05161	3.9
161.05983	32.9
162.06712	7.8
163.07530	10.5
165.05547	3.6
165.07004	8.7
166.07767	6.5
167.07059	4.3
174.06813	4.5
175.07545	13.5
177.07019	4.5
178.07753	6.5
179.07129	3.3
179.08542	13.5
181.06503	3.7
181.08586	2.3
182.07339	3.4
187.07535	10.0
189.06976	4.2
190.07697	10.1
191.08551	26.5
193.06474	3.2
194.07237	25.0
195.08020	4.9
205.04779	2.5
205.06499	8.8
206.07199	5.3
207.08047	18.5
208.08752	8.3
209.09584	4.5
210.06573	3.1
211.07652	4.2
214.23889	2.1
218.07257	8.2
219.08029	47.0
220.08810	8.0
221.05905	7.2
221.09502	3.0
222.06784	17.0
223.07462	3.8
223.11188	2.4
224.08577	2.7
225.09048	6.4
231.08040	6.3
233.05899	3.6
233.09706	2.5
234.06670	3.6
235.07571	14.6
236.08263	14.4
237.09116	21.0
239.10646	7.5
247.07532	24.8
248.08266	9.6
249.09059	7.6
250.06160	2.8
251.07025	4.8
251.10654	19.9
252.07822	5.2
253.08562	7.6
254.09558	4.5
261.09122	3.0
262.06183	3.0
263.07126	6.9
263.10617	3.4
264.07675	10.4
265.08585	61.0
266.08899	2.8
267.06155	2.9
267.10199	10.1
269.07892	3.6
276.07822	3.0
277.08588	3.9
279.07025	4.6
279.10138	77.7
280.07446	4.1
280.10757	8.8
281.08063	8.3
281.11316	2.5
282.08823	4.9
285.11200	5.8
291.10059	9.0
295.09653	22.0
296.10379	6.7
297.11221	64.7
299.09354	3.7
299.12723	38.0
309.11108	13.0
310.11942	18.7
311.09140	5.4
311.12759	100.0
312.13141	3.1
313.10611	8.4
323.09116	4.4
323.12659	4.6
329.13806	11.2
331.11725	6.5
341.10120	9.0
341.13797	68.0
359.10947	4.4
359.14911	3.6
361.02145	4.0
362.02615	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	359.1488
Annotation	Leptolide
Peak:m/z	Relative Intensity
53.40657	0.7
55.01878	0.8
55.66583	0.7
56.19122	0.6
56.65864	0.7
65.03936	2.6
67.05492	2.0
69.03426	1.2
70.64742	1.6
70.65108	1.9
76.68375	0.7
79.05486	0.9
81.07069	0.8
85.02888	2.1
91.05450	2.0
95.04942	1.0
95.08583	0.8
97.06544	1.1
103.05489	0.9
105.07019	1.0
107.04969	2.5
107.08596	1.0
108.61206	0.8
110.03643	2.1
111.04445	2.3
119.04922	1.0
121.02860	3.5
121.06462	1.1
125.05970	3.4
125.06828	0.8
131.04903	1.9
135.08031	3.1
137.06021	4.5
142.02663	0.8
142.99492	0.8
144.05663	2.0
145.06445	1.6
147.04454	2.2
147.08022	1.0
149.02286	2.1
149.05957	1.1
151.03964	0.9
151.07474	1.2
152.06229	1.3
153.05438	3.5
153.06831	0.9
159.08049	4.8
161.06004	1.6
161.09637	1.4
163.07645	0.8
165.05516	1.0
165.07013	2.2
166.07828	1.3
167.07040	5.2
167.08435	1.7
168.33096	0.8
169.06456	1.4
171.06522	1.9
178.07779	2.4
179.08528	1.2
181.04979	21.7
181.06479	3.4
182.07300	2.6
183.08099	1.3
187.07545	1.1
191.08600	1.7
193.10120	1.2
194.07330	1.8
195.08014	7.1
196.08763	1.5
197.05959	3.1
197.09634	1.8
199.07625	0.9
203.08577	1.2
205.06699	1.3
206.07256	2.3
207.08058	3.1
209.05986	2.6
209.09616	2.3
210.06714	3.4
210.10101	0.7
211.07491	4.4
212.08330	2.7
213.09079	1.3
219.08101	1.7
220.08870	2.4
221.09613	7.9
222.06761	2.9
222.10393	2.1
223.07539	8.2
223.11070	1.1
224.08334	4.2
225.09007	4.8
226.09766	1.1
227.07031	3.7
227.10666	2.2
234.06801	2.2
235.07542	2.2
236.08325	1.4
237.05492	1.6
237.09093	7.6
238.06174	1.9
238.09903	6.7
239.07021	4.3
239.10600	1.3
240.07816	8.8
241.08580	3.4
242.05722	1.3
249.09091	5.4
250.09924	1.7
251.07108	4.2
251.10780	1.9
252.07893	5.0
253.04808	1.1
253.05655	1.0
253.08614	17.1
253.12256	5.8
254.09319	2.2
255.06548	4.3
255.10219	4.8
257.07990	5.8
263.06931	0.8
265.08667	4.9
266.09409	3.7
267.06918	1.1
267.10114	5.7
268.07263	3.8
269.08109	9.1
269.11069	1.1
270.08765	2.6
271.13306	1.1
279.09970	0.8
280.07333	1.0
281.08099	5.5
281.11758	6.9
282.08948	1.1
282.12344	0.9
283.06049	3.3
283.09637	13.5
284.10284	1.9
285.07550	3.4
285.10895	1.2
295.09662	2.1
297.07562	5.4
297.11029	1.7
298.08362	9.4
298.11978	2.2
299.09540	1.0
299.12732	5.0
300.09891	14.8
309.11307	4.4
310.11981	1.5
311.09103	2.2
313.10690	69.9
313.14352	47.0
314.11014	1.9
314.14548	2.1
326.11450	5.9
327.12247	23.9
328.13049	1.6
331.11502	1.2
331.15381	18.1
332.15497	0.9
341.13821	39.4
342.14285	1.7
359.14868	100.0
360.15152	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1335
Annotation	Grevilloside E
Peak:m/z	Relative Intensity
55.05503	2.5
56.29622	2.1
69.03420	4.1
69.68738	4.3
69.69144	7.6
72.08151	26.0
73.02917	21.0
81.03402	2.3
81.07043	2.4
82.68972	1.7
83.06100	7.5
84.04472	8.9
85.02915	11.5
86.09695	31.0
91.05442	4.5
95.04968	2.1
97.02876	3.3
101.05995	2.0
103.05469	2.8
105.07074	1.7
107.04975	2.2
107.08593	2.0
108.02103	1.9
109.06548	1.9
110.03725	1.8
113.06061	2.5
121.06473	2.2
123.04409	2.5
125.05992	26.9
131.04912	4.8
132.10194	7.8
135.07996	2.5
137.05960	18.6
138.09186	2.4
141.05452	2.6
145.06502	2.9
147.04369	2.9
149.05988	4.6
149.09602	2.1
149.78470	1.6
151.03900	83.6
151.04939	4.0
151.07539	5.1
151.11250	2.1
157.13344	9.7
160.05260	2.5
161.05977	2.3
163.07584	5.9
167.07054	3.5
171.30412	1.7
175.07573	8.1
175.10765	10.3
179.07031	24.1
179.10625	1.8
182.12929	7.5
183.11316	6.2
185.12798	12.3
185.16635	2.0
187.07628	5.0
190.08617	1.8
190.21970	2.3
191.07051	6.8
197.08086	100.0
198.08492	4.2
200.14009	3.4
205.08656	2.1
208.09636	11.2
210.12390	2.7
228.13438	3.1
242.15192	1.8
249.28717	1.9
265.08557	2.3
270.08804	1.9
279.10156	2.5
281.11771	2.0
281.42935	2.1
284.19876	2.1
291.09964	2.6
297.11331	3.1
311.12781	7.4
341.13779	2.8
341.21860	7.8
359.17068	10.3
360.14307	2.6
367.53729	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.2586
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73280	1.6
53.03946	3.7
54.03473	4.5
55.01868	8.6
55.05511	56.0
56.05023	4.8
57.03431	6.5
57.05806	2.7
57.07067	2.6
58.06550	2.4
59.05000	3.8
61.02929	2.0
65.03940	4.4
67.05505	81.7
68.05025	3.9
69.03425	6.3
69.07065	29.5
70.06590	4.2
70.94955	2.0
71.04992	40.0
71.12694	2.0
71.62663	3.7
72.08148	2.1
76.03987	12.1
79.05493	68.1
80.05022	16.3
81.03415	4.1
81.07057	91.8
82.06567	14.2
82.07374	2.1
83.04980	12.7
83.08617	20.7
84.04527	4.5
85.00652	2.2
85.02925	1.7
85.06543	10.1
91.05481	31.8
92.05788	3.3
93.05775	4.1
93.07042	85.4
94.06564	24.5
94.07155	2.6
94.07384	2.4
95.04972	8.9
95.08604	39.8
96.04487	3.5
96.08125	8.6
97.06535	8.8
97.10172	25.6
98.06056	4.6
99.08102	2.5
101.73029	1.7
105.07033	16.0
106.06583	4.1
106.07330	3.1
107.04929	2.1
107.07390	2.3
107.08588	39.7
108.04482	10.6
108.08101	6.2
108.08822	2.0
109.06498	5.3
109.10162	24.4
110.06040	4.2
110.09721	2.2
111.04408	2.3
111.08073	2.7
111.11703	2.2
112.07589	10.6
114.12825	5.1
117.06973	2.9
119.04975	9.2
119.08582	7.8
120.05291	5.3
120.08099	5.5
121.10143	78.3
122.06006	5.4
122.09691	2.6
123.06800	7.7
123.11702	26.6
124.07540	2.8
124.11234	18.8
125.09645	22.5
126.09158	12.2
127.93740	2.0
131.08566	13.6
132.08078	2.9
133.10147	9.8
134.09616	2.5
134.10490	7.0
135.11662	5.0
136.11218	16.8
137.09641	5.8
138.12776	20.7
139.11168	25.1
141.12738	2.4
147.04410	39.5
148.04720	22.2
148.11194	5.1
149.09613	21.2
150.12743	2.4
151.11212	6.4
152.11534	5.4
152.14369	3.5
153.12744	5.7
154.12267	12.0
162.12798	3.7
163.13580	2.6
163.56261	2.0
166.12267	7.5
167.10667	60.5
168.13824	13.1
169.14619	28.0
173.11758	2.7
176.14424	4.6
178.12285	4.1
180.13811	13.2
188.07036	4.4
189.11285	8.9
192.13745	2.8
194.15405	3.1
199.13286	70.8
206.08078	14.9
206.15378	2.6
210.14874	2.7
217.14426	2.1
220.13327	4.4
248.16516	3.7
257.03378	2.1
262.21622	11.0
266.17560	8.2
272.19977	2.5
280.22742	5.5
290.21140	100.0
291.21576	4.9
308.22189	26.0
318.94525	2.2
322.23734	8.7
323.24512	5.3
326.23175	3.9
340.24774	19.6
357.26563	2.0
358.16699	6.3
358.20795	10.9
358.24463	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	358.2012
Annotation	Laudanosine
Peak:m/z	Relative Intensity
65.03922	0.9
70.85767	1.2
74.40565	0.4
75.04466	0.7
76.67461	0.4
78.04717	0.6
79.05515	0.7
86.80038	0.5
91.05484	2.2
95.04977	1.1
103.05484	0.6
105.07011	3.7
107.04960	0.9
109.06492	0.5
111.04478	0.6
115.05460	0.9
117.06989	0.5
120.05718	0.5
121.02869	1.1
121.06501	71.9
122.06826	0.8
125.05998	0.6
131.04919	1.0
133.06458	0.6
135.08046	10.1
136.16658	0.5
137.05978	1.0
144.05736	2.0
145.06479	2.5
147.08051	1.6
149.02350	0.7
149.09593	0.7
153.05464	0.6
159.08055	8.7
161.06013	0.5
161.09637	0.7
163.07481	0.5
166.06253	1.6
167.07091	1.0
167.08493	0.6
173.05960	1.1
174.09163	2.1
175.07475	0.9
176.06956	0.6
180.07788	0.6
181.04950	2.8
181.08571	6.2
186.06491	0.4
188.08324	7.9
189.08856	0.5
190.08664	1.3
191.09395	0.7
194.07414	0.5
195.08101	1.6
195.10176	1.5
197.09602	0.6
204.07851	3.2
204.09734	0.6
206.07227	0.5
206.11778	3.4
207.08174	0.7
208.08777	0.6
209.09604	1.2
210.06676	0.5
211.07635	1.0
212.08186	0.5
219.10133	5.8
220.08890	0.5
221.09634	1.7
222.11050	1.3
223.07521	1.7
223.11145	0.8
224.08366	0.9
225.09138	1.7
227.07002	0.9
227.10767	0.6
236.12866	2.3
237.09102	1.7
238.06377	0.9
238.09875	2.3
239.06979	0.7
239.10709	0.8
240.07835	1.8
241.08615	0.6
241.12161	1.3
249.09142	2.4
250.09883	1.0
251.06963	1.0
251.10738	0.9
252.07884	1.2
252.11299	0.7
253.08607	4.1
253.12250	2.2
254.09322	0.8
255.06563	0.8
255.10178	1.4
257.08102	1.2
264.11343	0.8
265.08615	1.0
265.12189	1.9
266.09247	0.8
267.06644	0.5
267.10107	1.5
268.07297	0.6
268.10974	0.8
269.08054	1.2
269.11734	1.7
270.08795	0.4
270.12466	0.6
280.10770	0.5
281.08173	1.7
281.11743	8.8
282.08731	0.7
282.12323	0.6
283.06641	0.5
283.09607	2.6
283.13058	0.8
284.14047	1.1
285.11353	0.8
295.09991	0.5
295.13242	1.4
296.14059	14.2
297.07819	1.1
297.11209	3.8
297.14252	0.7
298.08441	1.1
298.11694	1.1
298.15491	0.6
299.12836	1.3
300.09921	3.1
300.13544	1.2
309.11331	1.2
312.13510	2.6
313.10690	12.2
313.14359	7.7
315.15915	1.1
326.11520	0.9
326.17526	1.1
327.12256	5.3
327.15927	19.3
328.16299	1.2
329.17517	1.7
331.15448	3.5
341.13821	7.7
341.17484	0.8
358.20108	100.0
359.14877	18.8
359.20389	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	358.2587
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.0
55.01870	5.3
55.05506	37.0
56.04997	2.3
56.68367	2.3
56.96552	8.5
57.03420	2.9
59.04974	2.7
67.05502	33.3
68.05028	6.2
69.03415	8.2
69.07064	13.0
69.99138	5.0
69.99541	7.8
70.06590	2.6
71.04979	8.3
79.05492	28.6
80.05025	2.3
81.03414	100.0
81.07056	30.5
82.06572	3.5
83.04983	18.4
83.08618	38.1
84.04497	2.4
87.04498	2.4
91.04903	2.2
91.05476	38.4
92.05808	2.8
93.07049	27.4
94.06557	3.4
95.04965	34.0
95.08621	15.2
97.02872	5.4
97.06498	3.2
97.10156	16.8
98.20817	3.2
105.07028	30.5
106.07376	2.5
107.04955	8.3
107.08594	24.4
108.08926	5.0
108.22569	2.1
109.06502	5.1
109.10148	33.9
110.10490	7.5
111.08068	13.9
115.05447	2.6
117.07022	3.5
119.04959	12.7
119.08581	20.8
120.05278	5.8
121.06476	2.4
121.10126	9.6
125.09634	10.5
129.07014	12.2
131.08575	11.3
133.06493	4.4
133.10115	15.5
134.10445	7.6
135.08084	2.4
135.11702	7.3
137.09639	2.3
142.07767	3.4
147.04401	59.4
147.08040	3.6
147.11652	14.9
148.04735	26.6
149.09612	7.9
150.42142	2.3
154.12248	5.2
157.10117	15.2
163.03848	5.6
165.12785	5.4
173.11850	2.2
175.11183	21.3
192.13823	3.2
193.12239	58.2
194.12585	4.3
211.13269	20.3
213.04372	3.3
213.59755	2.0
238.14478	2.4
239.02234	6.5
254.21469	2.1
257.03415	3.4
293.21130	2.1
308.22342	14.5
319.58624	2.1
326.23181	3.5
340.24857	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	358.1646
Annotation	Discretine N-oxide
Peak:m/z	Relative Intensity
54.27803	0.6
58.06599	100.0
59.06944	1.3
65.39252	0.5
69.03431	1.0
70.06593	0.7
70.86927	1.1
70.87268	1.0
72.08154	0.9
74.06052	0.8
75.81725	0.6
81.07061	1.8
84.08126	0.8
85.02914	2.3
86.09715	1.4
91.05476	0.7
97.02872	0.7
101.03811	0.5
103.05446	0.8
107.08595	0.7
110.66879	0.7
127.03909	0.8
131.04947	2.2
135.11723	0.8
137.05997	2.1
137.13248	0.6
149.09587	1.3
151.03976	0.6
155.95747	0.6
163.04015	0.6
163.07478	0.6
165.07008	1.1
166.05499	0.5
178.03235	2.9
178.07751	0.6
179.07040	1.0
179.08565	1.0
181.06372	0.7
193.06523	1.3
194.07217	0.7
195.08043	1.1
196.04283	2.6
197.11839	0.6
207.08098	1.8
209.06030	0.9
210.06766	1.4
221.05930	2.9
222.06453	0.6
223.07562	1.1
225.09106	1.4
235.07504	2.8
237.05467	1.0
238.06241	5.2
239.06911	0.8
249.05519	3.0
251.07037	1.5
252.07785	1.1
253.08609	7.6
254.09123	0.8
255.06363	1.2
255.10246	0.9
255.48460	0.6
263.07135	2.3
265.04990	1.2
265.08612	1.3
266.05664	2.6
267.06619	0.6
267.10138	0.7
268.07269	1.2
269.07935	0.6
280.07324	1.4
281.05246	0.9
281.08081	10.3
282.08713	1.4
283.06311	1.2
283.09647	3.6
285.11197	0.8
295.09512	0.7
298.08295	5.9
313.10687	23.4
313.14398	1.2
314.11163	1.6
315.12326	4.4
325.35654	0.6
325.88913	0.6
326.13855	11.3
327.14264	1.4
328.15390	1.9
340.15445	1.4
358.16467	61.4
359.16956	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	357.2997
Annotation	MG(18:1(9Z)/0:0/0:0)[rac]
Peak:m/z	Relative Intensity
55.05518	61.1
57.03435	11.4
57.07077	47.1
59.46907	4.9
67.05503	72.8
69.07069	100.0
69.91892	34.9
71.04999	6.2
71.08626	24.3
79.05503	40.6
81.07064	90.7
83.08612	81.4
85.10152	6.0
91.05556	6.5
93.07045	54.6
95.08613	87.6
96.08878	5.4
97.06532	23.0
97.10169	46.1
97.94238	6.8
98.20772	6.6
107.08594	47.1
109.10150	47.5
111.08136	9.7
111.11734	7.1
121.10148	82.1
123.11721	22.3
134.62157	6.4
135.11685	62.8
137.13232	7.9
143.14293	6.2
149.13255	34.2
154.38516	6.1
163.14832	11.0
177.16307	5.7
247.24275	75.4
254.79613	5.9
265.25266	84.2
339.28934	70.8
357.11792	9.1
357.30316	10.7
358.12695	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	358.0899
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96561	2.8
57.03418	3.9
61.02921	2.9
67.55377	1.0
69.03413	5.0
70.06597	2.3
71.59319	1.4
73.02906	4.8
81.03409	2.0
81.07021	1.5
85.02906	14.7
87.04445	2.1
91.05470	5.5
97.02908	5.8
98.53790	1.4
98.97585	6.8
99.04456	1.3
107.04985	2.1
109.02866	2.3
110.97619	1.4
116.07052	1.3
116.98581	3.9
119.01934	2.7
119.04936	4.8
121.06497	1.9
127.03921	4.5
128.98605	1.7
131.00121	1.5
134.99657	1.4
137.06000	8.1
138.05467	2.2
143.00186	1.8
143.02061	1.4
145.04997	3.3
149.01381	1.4
149.02791	1.2
151.07463	1.2
155.23534	1.4
157.03549	1.5
158.99664	1.6
160.30748	1.3
161.02985	2.4
169.03535	1.4
173.02916	3.0
177.00726	2.9
178.08574	2.6
179.07048	2.3
187.04425	2.4
191.03926	2.3
193.03661	1.3
196.03711	88.9
196.09642	7.0
205.41072	1.2
219.01741	2.0
237.02823	1.9
253.03908	1.3
257.28690	1.2
259.06387	2.5
261.06363	2.5
268.06851	7.1
275.06161	2.1
307.06750	1.4
316.99017	1.3
358.08984	100.0
359.09280	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1881
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.4
58.06599	3.2
70.06589	0.4
70.83846	0.8
71.68718	0.4
72.86472	0.3
79.05479	0.5
81.07052	0.4
85.02884	0.6
91.05428	0.5
93.07039	0.4
94.04166	1.1
94.85583	0.3
95.04952	0.3
95.08624	0.4
105.06978	0.5
115.05437	0.7
117.07004	0.5
122.03640	3.2
123.04417	2.2
124.88042	0.3
129.06995	0.4
131.04951	0.4
137.05972	41.8
138.06311	1.2
138.67781	0.3
143.04900	1.9
143.44217	0.4
145.06447	0.5
151.03905	6.9
151.05037	0.5
161.05936	0.7
163.03862	0.5
163.07509	0.5
165.05521	0.5
167.07021	1.1
175.07562	0.7
187.05791	1.3
187.07445	0.4
193.08310	0.4
200.07660	0.4
203.07004	1.2
205.08566	0.7
211.13025	1.0
219.08134	0.4
223.07466	0.5
224.07855	0.7
226.26889	0.3
227.07143	0.5
228.07195	0.5
233.07896	0.4
235.05705	0.4
241.08275	0.6
251.07074	0.4
252.07291	0.9
269.07870	0.8
270.08560	0.6
277.08539	0.5
279.06445	0.5
279.09930	0.4
280.07016	1.1
297.07254	1.4
307.09586	0.4
311.09079	1.3
311.12634	0.6
312.09464	12.3
327.12213	3.7
328.12433	0.4
339.12341	1.4
357.13757	9.3
357.18808	100.0
358.13675	1.0
358.19122	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	357.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.3
55.01853	0.2
55.05509	1.4
56.96566	2.3
59.04990	1.3
65.03939	0.8
67.05504	3.4
69.07041	0.3
71.04990	0.5
71.59452	0.3
71.59825	0.3
79.05476	1.5
81.07048	2.3
91.05472	14.0
93.07037	6.6
93.07625	0.4
94.07381	0.4
95.04971	1.1
95.08601	14.9
96.08934	1.0
97.06506	0.4
105.06294	0.6
105.07022	17.1
107.08585	19.1
108.08925	0.4
109.06506	0.7
109.10152	3.7
119.04934	21.7
120.05202	0.2
121.10162	0.5
123.11690	0.4
131.08548	0.7
133.10123	13.9
135.11719	1.3
147.04399	100.0
148.04712	1.6
151.11162	3.2
165.05473	2.4
186.54002	0.2
193.12233	9.3
195.03296	0.4
211.02757	0.8
213.04335	1.0
231.05402	0.3
239.02272	4.8
240.02612	0.6
257.03323	6.6
258.03671	0.4
262.03931	0.8
280.04959	0.4
284.80182	0.3
297.14774	2.0
355.12155	1.6
356.12527	0.3
357.16882	3.5
367.04819	0.2
373.13251	1.6
374.13513	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	0.3
51.28596	0.2
53.03942	0.3
55.05509	0.5
56.96552	0.3
57.07067	0.5
65.03936	0.9
67.05185	0.3
67.05497	1.8
68.24813	0.2
69.07045	0.4
71.14516	0.6
79.05490	4.3
81.07059	3.2
85.06538	1.0
89.92658	0.2
91.05479	13.3
92.05786	0.3
93.07055	2.1
95.04961	0.8
95.08586	0.8
103.05499	0.3
105.07028	11.5
107.08597	6.2
109.09455	0.4
109.10155	6.0
118.07786	0.4
119.04942	22.3
120.05249	0.4
121.10146	0.3
123.11701	7.6
123.22819	0.3
131.08583	0.8
133.10126	19.8
135.11694	0.5
147.04404	100.0
148.04715	1.3
151.11192	3.0
165.05540	0.4
166.42853	0.3
193.12268	0.6
195.03212	0.3
196.16261	0.3
239.02377	0.5
257.03296	0.6
357.16785	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	357.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80470	0.7
55.05500	2.0
56.96564	0.7
57.03441	1.2
65.03932	1.4
67.05484	3.6
68.59177	0.6
69.07051	1.9
69.89024	4.4
73.55007	0.8
79.05492	3.0
81.07053	4.6
83.08607	2.2
88.02377	0.8
91.05475	24.2
93.07043	4.7
95.08586	2.0
105.07025	29.3
107.07858	1.5
107.08586	25.8
109.06506	1.3
109.10131	3.2
119.04936	29.7
119.08549	0.9
121.10142	1.1
123.11678	1.2
131.08525	1.3
133.10124	54.3
134.10472	1.3
135.11703	1.1
137.05978	1.8
147.04402	100.0
148.04736	1.8
149.13263	2.6
151.11154	5.4
163.03851	2.5
165.05499	4.4
167.14325	1.3
175.07526	0.7
193.12233	5.4
209.98570	0.7
231.13898	0.7
231.15863	3.6
318.40811	0.8
357.16678	13.8
357.22742	3.0
381.19455	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.3
55.01853	0.2
55.05509	1.4
56.96566	2.3
59.04990	1.3
65.03939	0.8
67.05504	3.4
69.07041	0.3
71.04990	0.5
71.59452	0.3
71.59825	0.3
79.05476	1.5
81.07048	2.3
91.05472	14.0
93.07037	6.6
93.07625	0.4
94.07381	0.4
95.04971	1.1
95.08601	14.9
96.08934	1.0
97.06506	0.4
105.06294	0.6
105.07022	17.1
107.08585	19.1
108.08925	0.4
109.06506	0.7
109.10152	3.7
119.04934	21.7
120.05202	0.2
121.10162	0.5
123.11690	0.4
131.08548	0.7
133.10123	13.9
135.11719	1.3
147.04399	100.0
148.04712	1.6
151.11162	3.2
165.05473	2.4
186.54002	0.2
193.12233	9.3
195.03296	0.4
211.02757	0.8
213.04335	1.0
231.05402	0.3
239.02272	4.8
240.02612	0.6
257.03323	6.6
258.03671	0.4
262.03931	0.8
280.04959	0.4
284.80182	0.3
297.14774	2.0
355.12155	1.6
356.12527	0.3
357.16882	3.5
367.04819	0.2
373.13251	1.6
374.13513	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22284	0.8
53.03926	0.8
55.05499	3.1
56.28239	0.7
65.03929	0.9
67.05486	2.6
70.53397	1.5
70.53767	1.6
77.93430	0.8
79.05492	3.5
81.07042	2.4
87.04449	0.7
91.05481	32.3
93.07051	4.0
95.04962	1.0
95.08609	1.7
105.07030	79.0
106.07351	0.8
107.08595	43.6
108.08860	1.1
109.06506	1.3
109.10172	4.8
115.55259	0.7
119.04939	20.5
120.05268	1.4
123.11689	0.7
123.24930	0.7
129.91335	0.7
131.08580	1.6
133.10129	92.2
135.11655	1.5
137.05962	1.1
144.99919	0.8
147.04410	100.0
148.04744	1.7
151.11221	4.5
152.00996	0.7
163.03929	3.8
165.05479	16.6
177.05444	0.9
193.12270	8.6
229.07469	1.2
247.08459	1.4
349.16922	0.9
357.16599	6.6
381.19345	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05191	0.4
55.05510	1.1
56.96560	0.7
64.30981	0.4
65.03937	1.0
67.05482	0.8
70.22759	1.7
79.05499	1.8
81.07050	0.8
88.01892	0.4
91.05475	18.8
93.07051	3.3
93.49693	0.5
95.04945	0.5
101.44279	0.4
103.05478	1.1
105.07026	45.6
106.07355	0.7
107.08600	2.3
107.54433	0.4
107.92164	0.4
109.10169	1.8
111.17590	0.4
112.79469	0.4
115.05404	0.5
117.07024	1.4
118.07784	2.2
119.04941	18.5
123.11720	1.0
131.08554	3.0
133.10123	100.0
134.10493	1.8
135.11710	0.7
146.00180	0.4
147.04401	84.3
148.04733	2.0
151.11160	1.6
165.05490	3.2
183.02528	0.4
187.93199	0.4
193.12151	0.5
239.02228	0.6
257.03308	1.1
286.11334	0.4
288.22183	0.5
323.52823	0.4
357.16864	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	357.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	1.1
64.77859	0.3
65.03942	1.4
67.05493	0.9
69.92931	1.9
79.05475	1.9
81.07034	0.8
90.91969	0.4
91.05479	25.5
93.07036	2.3
95.04975	0.9
103.05454	1.1
105.07026	50.1
106.07334	0.8
107.08596	1.8
109.10154	1.5
115.05466	0.7
117.06975	1.9
118.07806	2.0
119.04936	22.9
120.05282	0.4
123.11729	0.7
131.08575	3.3
133.10126	100.0
134.10480	1.4
147.04402	96.4
148.04732	1.7
151.11156	2.3
158.57324	0.4
161.05962	0.4
163.03828	0.4
165.05455	1.9
193.12244	1.0
357.16956	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80470	0.7
55.05500	2.0
56.96564	0.7
57.03441	1.2
65.03932	1.4
67.05484	3.6
68.59177	0.6
69.07051	1.9
69.89024	4.4
73.55007	0.8
79.05492	3.0
81.07053	4.6
83.08607	2.2
88.02377	0.8
91.05475	24.2
93.07043	4.7
95.08586	2.0
105.07025	29.3
107.07858	1.5
107.08586	25.8
109.06506	1.3
109.10131	3.2
119.04936	29.7
119.08549	0.9
121.10142	1.1
123.11678	1.2
131.08525	1.3
133.10124	54.3
134.10472	1.3
135.11703	1.1
137.05978	1.8
147.04402	100.0
148.04736	1.8
149.13263	2.6
151.11154	5.4
163.03851	2.5
165.05499	4.4
167.14325	1.3
175.07526	0.7
193.12233	5.4
209.98570	0.7
231.13898	0.7
231.15863	3.6
318.40811	0.8
357.16678	13.8
357.22742	3.0
381.19455	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1332
Annotation	Vitedoin A
Peak:m/z	Relative Intensity
52.06552	1.1
55.01624	1.5
55.01870	20.6
61.05303	1.4
65.03932	3.5
71.09408	1.2
74.48544	1.2
75.57288	1.6
79.05479	5.0
81.07052	4.1
91.05467	7.2
93.03369	1.9
93.07080	1.8
94.04176	5.8
95.04947	2.4
102.04765	1.8
103.05466	5.2
105.03340	1.7
105.07010	6.0
107.04949	3.6
109.06528	4.2
111.04430	5.5
115.05442	7.4
117.03399	2.2
117.07047	1.5
119.04938	2.8
121.06499	3.0
122.03638	13.7
125.05975	3.6
130.04138	1.3
131.04929	6.6
133.06480	3.5
137.05977	100.0
138.06396	1.5
143.04941	6.7
143.22510	1.5
144.05663	2.0
145.02829	3.7
145.06555	1.8
146.03629	5.9
147.04430	6.5
149.05980	5.3
150.03154	1.4
150.06749	1.3
151.03912	5.7
153.05446	4.1
155.04921	4.3
159.04457	1.5
159.08035	2.3
160.05212	2.1
161.05974	24.6
162.06723	5.4
163.03949	2.1
163.07545	2.9
165.05490	35.5
165.06882	3.0
167.06961	1.4
171.04384	3.2
172.05220	2.0
173.06015	2.2
175.07549	7.3
177.05481	16.2
177.06921	2.8
177.09111	1.2
178.07732	2.9
179.08569	4.8
181.06454	2.6
183.04344	2.3
186.05348	1.5
187.07594	6.6
189.05498	2.7
189.07010	9.0
190.07719	9.8
191.06963	2.2
191.08530	17.4
192.05632	1.5
193.06282	1.7
194.07248	1.8
195.08086	3.2
200.04680	2.8
201.07071	1.9
202.07893	3.3
203.06978	11.8
203.08600	2.4
205.06500	4.9
206.07286	3.8
207.08032	8.8
208.08633	4.3
209.05986	2.0
209.09372	1.4
210.06685	2.3
211.07443	1.8
215.06961	13.2
217.06523	4.7
218.07259	22.1
219.08041	33.7
220.05209	1.3
220.08725	4.6
221.06035	4.6
221.09581	1.5
223.07498	2.0
224.08246	2.0
225.09105	3.3
229.06421	11.3
230.07147	2.1
231.08086	2.8
233.06026	2.4
233.09659	2.6
234.06718	9.1
235.07536	18.6
236.08324	10.7
237.05437	2.9
237.09073	3.8
239.06949	1.4
245.05933	3.0
246.06754	16.3
247.07535	30.8
248.08331	7.4
249.05453	2.9
249.09016	10.4
250.06137	2.7
250.09775	1.7
251.07001	5.4
251.10675	5.3
252.07880	2.0
253.08542	3.8
257.05969	9.4
258.06613	3.7
259.07614	5.1
261.09103	34.8
262.06262	4.8
262.09427	2.3
263.07056	15.4
264.07806	14.5
265.08545	7.3
266.05920	1.4
266.09360	2.0
267.10083	5.6
268.07266	2.0
269.08035	2.8
270.08600	2.1
273.05399	2.8
274.06262	15.0
275.07019	18.2
276.07770	4.6
277.08588	25.7
278.09293	9.7
279.06863	2.8
279.10156	19.9
280.10712	2.1
281.07889	3.0
283.09641	2.6
284.10391	2.9
289.08603	55.9
290.09311	6.5
291.06512	5.7
292.07312	7.6
293.08276	2.9
293.11533	2.6
294.08908	7.2
295.09756	8.0
296.10226	2.4
297.11169	4.3
306.08856	13.6
307.09622	99.8
308.10101	7.3
309.07642	2.9
309.11087	20.3
311.12872	2.9
321.11197	86.8
322.11481	3.8
324.09924	4.2
327.12244	33.2
328.12537	2.4
329.13815	1.7
339.12271	59.1
340.12582	3.3
357.13297	24.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.1854
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.3
58.06304	0.2
58.06598	4.3
60.04525	27.4
67.05488	0.4
69.07040	0.2
71.14449	0.5
73.56297	0.2
79.05482	1.0
81.07031	0.5
82.07450	0.2
89.63594	0.2
91.05470	6.5
93.07044	4.7
95.04942	0.4
100.07609	0.9
103.05453	0.5
105.07028	69.8
106.07363	1.4
107.08608	0.5
109.10148	0.4
117.07021	0.7
118.07819	0.5
119.04932	2.9
122.09630	0.3
123.11761	0.4
131.08575	0.7
133.10127	100.0
134.09546	0.3
134.10466	2.9
137.05998	1.0
138.44003	0.2
147.04401	9.4
150.09238	0.3
150.12741	1.5
151.11220	0.7
165.05542	0.3
171.70889	0.2
191.10451	0.4
192.13831	42.8
193.14189	1.1
236.05136	0.2
275.15765	0.2
292.50598	0.2
307.09991	0.2
315.67542	0.3
356.18665	16.7
357.13065	0.3
357.18903	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.2948
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43075	0.7
53.03931	2.2
55.05511	11.8
57.07054	3.6
58.06597	1.3
59.84678	0.9
65.03929	1.3
67.05502	20.4
69.07069	13.0
69.26092	1.9
69.26514	9.2
70.06595	10.0
71.08632	1.3
79.05053	1.4
79.05489	14.2
79.68265	0.8
81.07054	22.9
82.07388	1.4
83.08619	5.6
86.06084	1.3
88.07635	9.5
91.05479	35.2
93.07041	37.8
95.04955	3.9
95.08604	33.2
97.10169	5.6
97.34069	0.8
102.09145	1.4
102.31451	0.9
103.05482	1.1
105.07028	38.0
106.08671	4.1
107.08589	23.8
108.08907	1.0
109.10157	24.0
117.07031	1.0
119.08578	33.1
120.08977	1.1
121.10136	16.9
123.11702	5.6
131.08545	1.4
133.10135	23.0
135.11684	4.0
145.10129	1.1
147.04350	1.5
147.11685	38.3
148.12036	1.1
154.12274	40.3
161.13266	7.1
167.06938	1.3
175.14842	2.3
203.17938	12.7
251.21213	0.9
312.32739	1.4
338.34232	3.2
356.29425	100.0
356.35147	55.6
356.38770	2.1
357.29810	3.7
357.35239	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.1856
Annotation	Secosarcocapnine
Peak:m/z	Relative Intensity
58.06600	67.4
59.04999	0.5
59.06917	0.6
69.07062	0.6
70.75773	0.5
71.04991	0.6
71.62345	0.8
72.08168	0.6
72.73685	0.5
79.05495	0.9
81.07042	1.0
85.02884	0.6
91.05464	0.9
91.23597	0.5
94.04202	0.8
95.08632	0.7
107.04966	1.2
107.08649	0.6
109.06551	0.7
115.05491	0.5
116.46596	0.5
117.07017	0.6
119.05035	0.5
122.03640	4.5
126.95197	0.5
127.03967	0.6
127.77600	0.5
131.04941	0.9
133.10179	0.6
137.05974	27.9
138.06377	0.5
143.04987	0.7
145.06526	0.7
147.04425	0.6
149.06017	1.2
150.03125	0.6
151.03906	2.5
160.05211	1.8
161.05977	1.2
163.04036	0.7
163.07562	1.9
165.05479	23.4
166.94707	0.7
167.07062	0.9
167.08516	0.8
175.07547	4.8
176.07957	0.6
177.05525	2.0
187.07523	1.1
191.06914	0.6
191.08578	1.3
194.07314	0.8
203.07011	6.6
205.06602	0.7
207.08087	1.5
211.07590	0.7
215.06990	0.9
218.07156	0.6
219.08009	2.5
220.08859	1.2
221.05937	1.1
222.06738	0.8
223.07671	1.1
225.09134	2.1
227.06889	0.9
233.06041	1.5
235.07574	1.7
236.08253	2.7
237.09097	13.1
237.11366	1.0
238.06219	0.6
239.07060	1.4
241.68680	0.6
246.06886	0.7
247.07593	1.6
248.08398	1.8
249.05524	1.6
249.09050	1.6
250.06363	0.5
250.09761	0.7
251.07074	1.4
251.10620	3.1
253.08600	6.8
261.09116	1.1
263.07101	1.5
264.07840	3.3
265.08600	36.1
266.05814	0.9
266.09027	2.0
267.06711	1.0
267.10327	1.5
268.10965	0.9
269.07941	0.7
279.10110	4.9
280.10938	61.8
281.08142	28.6
281.11316	4.5
282.08652	3.3
283.09683	0.7
289.08798	0.6
295.09753	0.9
296.10416	39.3
297.10764	3.3
306.09045	1.4
309.11264	0.6
311.09308	3.6
311.12750	55.4
312.13123	3.4
321.11169	6.3
325.10721	1.7
327.12378	1.4
339.12186	9.1
356.15060	3.6
356.18555	100.0
357.13522	5.9
357.18918	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	356.1856
Annotation	(+)-argemonine
Peak:m/z	Relative Intensity
51.28709	1.2
51.52755	1.4
55.05499	2.6
56.96568	1.1
57.34899	1.5
58.06585	3.3
58.90699	1.2
60.04508	2.0
67.05490	2.2
67.39925	1.2
70.06575	2.3
71.62808	2.7
72.08160	20.9
79.05496	12.7
81.07060	5.3
90.62767	1.3
91.05480	13.7
93.07046	5.1
95.04998	1.8
95.08604	2.4
105.07031	21.9
107.08593	13.1
109.10157	4.7
114.09155	9.0
117.06960	2.2
119.04955	12.8
123.11712	3.6
131.08553	2.0
133.10139	61.8
135.11703	3.0
147.04411	100.0
148.04730	2.2
150.12782	38.6
151.11156	1.7
151.13110	1.5
159.91776	1.3
162.13425	1.4
192.13844	11.6
210.14990	1.4
241.09123	1.5
314.17499	4.3
356.18582	71.5
357.18890	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	355.2842
Annotation	2-Linoleoyl Glycerol
Peak:m/z	Relative Intensity
53.03926	3.7
55.01871	2.0
55.05267	2.3
55.05511	31.4
57.03443	10.7
57.07069	12.0
65.03905	2.5
67.05505	81.4
69.07069	41.1
71.04997	2.8
71.05474	1.3
71.08616	5.7
72.01921	1.4
75.32656	1.3
79.05493	27.9
81.07054	100.0
83.04961	2.2
83.08148	1.9
83.08614	30.8
85.06561	3.4
85.10161	2.7
91.05470	17.3
93.07040	32.1
93.47203	1.5
95.04978	2.6
95.08606	90.2
97.06522	9.5
97.10168	21.2
99.08093	5.7
103.03996	1.7
105.07031	16.3
107.08590	24.8
107.32973	1.5
109.10156	46.8
111.08094	4.9
111.11716	6.7
113.09622	2.5
119.08590	15.5
121.10132	29.8
123.11695	24.0
125.09620	2.5
125.13255	1.9
129.05493	2.4
131.08537	2.3
133.10121	17.8
135.11703	16.5
137.09608	2.7
137.13258	9.9
139.11165	3.6
141.12724	2.6
146.51569	1.5
147.04526	1.6
147.11671	12.8
149.13263	15.5
151.11151	2.5
151.14772	7.7
155.14198	2.1
161.13292	15.3
163.14799	17.1
165.12720	2.5
165.16405	9.7
167.14291	3.5
171.13776	1.5
175.14853	12.2
177.16316	3.7
179.14241	1.4
179.17943	6.1
180.47360	1.3
181.15775	1.9
189.16385	5.7
203.17888	1.8
215.51810	1.5
245.22658	60.6
255.72723	1.7
263.23700	66.4
264.24078	1.8
283.38998	1.4
333.17371	2.6
337.27356	43.9
338.27527	1.9
343.21164	1.4
355.28424	13.4
355.33875	8.7
356.18506	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.1855
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17841	0.3
53.03951	0.3
58.06600	4.6
60.04524	28.1
61.29579	0.2
64.72663	0.3
65.03934	0.5
67.05487	0.3
70.13458	0.5
70.13874	1.1
72.07609	0.2
76.53565	0.2
79.05481	0.8
81.07057	0.3
91.05474	8.5
92.05769	0.3
93.07050	5.2
95.04979	0.5
95.08636	0.3
98.21381	0.4
100.07620	0.8
103.05451	0.7
105.07025	71.0
106.07365	1.5
107.08567	0.4
109.10158	0.4
115.05410	0.3
117.06986	0.6
119.04935	9.9
122.09676	0.4
131.08575	0.9
133.10124	100.0
134.10464	3.1
137.05933	0.9
142.52538	0.2
147.04401	29.3
148.04742	0.9
150.12767	1.3
151.11171	0.5
165.05559	0.3
167.90025	0.2
177.05621	0.3
192.13823	41.8
193.14227	1.1
204.06534	0.3
247.07668	0.3
297.14783	0.5
307.09695	0.4
327.12503	0.3
356.18616	21.6
357.13351	0.7
357.18948	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.1489
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10156	0.4
58.06392	5.4
58.06719	14.8
69.52634	1.6
69.53059	2.3
70.72822	0.4
72.08246	0.8
73.13561	0.4
81.07165	0.5
91.05566	0.7
98.21571	0.8
110.83081	0.5
122.03748	1.0
123.04605	1.5
128.06343	0.6
137.05978	13.4
143.05051	0.7
151.04088	1.8
152.06311	0.7
153.07182	0.6
163.04131	0.5
165.07173	1.8
167.05003	1.1
167.08722	0.7
168.05803	0.5
169.06676	1.5
171.08174	0.7
177.07182	0.5
178.07884	0.7
180.05768	1.3
184.05305	0.5
193.05052	1.1
193.06671	1.2
195.04417	2.4
195.08208	1.9
197.06177	1.8
199.07553	4.6
205.06635	0.6
208.05328	2.1
209.06129	0.9
209.43893	0.5
210.06786	0.9
211.04028	0.7
211.07658	1.0
218.65222	0.7
221.06099	1.5
222.06763	1.4
223.07510	6.2
225.05414	2.3
225.09279	1.4
227.07028	11.0
236.04662	2.6
237.05510	0.8
239.07111	0.9
240.07851	1.8
250.06358	1.9
251.07034	9.6
251.09500	0.6
253.04968	5.9
253.08707	1.1
255.10315	0.8
265.08789	0.6
266.05988	0.6
267.06458	1.3
268.07294	7.2
269.08060	2.7
279.06534	7.7
281.04510	0.8
283.09650	2.3
296.06793	9.8
297.07440	1.2
311.09131	100.0
312.09415	3.2
327.12228	1.5
339.12164	0.7
342.03040	0.5
356.14816	34.8
357.13437	3.4
357.18741	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	355.2841
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	2.4
55.05511	32.6
57.03429	9.7
57.07073	16.7
58.06591	7.5
66.44161	2.6
67.05502	77.2
69.07063	40.5
69.72273	11.0
70.06579	7.0
71.08632	4.3
72.90662	2.1
79.05484	22.8
81.07053	100.0
82.07367	3.8
83.08608	28.8
85.06548	4.8
85.10177	7.1
88.07624	9.1
91.05413	14.1
93.07036	30.2
95.08604	86.3
97.06543	8.2
97.10163	22.7
99.08096	5.0
101.18941	2.4
103.03950	4.2
105.07020	11.2
106.08656	3.8
107.05034	2.6
107.08599	23.8
109.10153	45.6
109.10777	2.1
111.08092	4.1
111.11716	9.0
113.09649	6.0
119.08575	17.6
121.10134	30.3
121.88229	2.5
123.08048	2.6
123.11692	25.3
133.10147	19.8
135.11661	15.4
136.10179	2.9
137.09602	4.7
137.13252	11.9
147.11694	15.1
149.13266	12.8
151.14812	7.2
161.13246	19.7
163.14810	16.5
165.15129	2.4
165.16429	10.7
167.07008	2.3
175.14842	10.0
179.17867	6.3
181.15973	3.0
189.16418	4.2
203.17966	3.4
245.22644	56.7
246.23164	3.0
263.20657	4.3
263.23685	59.1
264.24243	3.9
264.28235	2.3
285.00876	3.3
299.25821	2.7
337.27316	38.7
338.27844	3.7
338.34192	5.3
355.17096	2.8
355.28592	13.0
356.15155	4.2
356.35187	72.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2841
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	27.5
56.01751	2.4
57.03433	6.5
57.07081	15.0
57.07307	2.4
66.24115	2.5
67.05502	88.7
69.07062	33.8
71.08620	8.6
71.52247	5.4
79.05481	26.8
81.06578	5.3
81.07053	100.0
83.04980	3.3
83.08619	28.0
85.06532	5.9
85.10156	4.5
90.84959	2.5
91.05483	20.7
93.07054	27.5
95.08601	99.9
97.06528	12.2
97.10155	24.6
99.08100	5.6
103.03883	2.7
105.07019	14.2
107.08591	25.1
109.10151	46.1
111.08076	3.8
111.11720	9.0
119.08572	17.0
121.10128	32.0
123.11710	28.1
133.10120	20.5
135.11699	22.3
137.09622	4.3
137.13213	16.9
147.11664	15.8
149.13309	16.6
151.14841	9.9
161.13243	19.2
163.14815	22.0
165.12813	3.4
165.16376	11.8
175.14792	15.9
179.17932	5.6
181.15901	3.6
189.16364	8.3
190.19740	2.9
203.17952	5.1
207.17444	3.0
209.77995	3.2
238.21577	2.8
245.22655	71.5
246.22830	6.2
263.23685	76.3
272.72531	3.3
319.90509	2.6
326.92017	2.9
337.27359	49.6
338.27521	4.0
355.28467	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	355.2841
Annotation	2-Linoleoyl Glycerol
Peak:m/z	Relative Intensity
53.03926	1.9
55.05261	2.3
55.05511	29.6
57.03437	8.8
57.07073	12.4
62.17376	1.3
65.03915	1.9
67.05505	86.3
69.07069	37.4
69.07348	1.1
69.47559	1.4
69.92791	7.6
71.04990	2.2
71.08624	6.3
79.05491	26.6
81.07053	100.0
83.04972	3.2
83.08617	26.6
85.06552	4.3
85.10172	1.8
91.05464	17.8
92.05782	1.4
93.07045	27.1
95.04987	2.0
95.08601	80.1
97.06517	5.9
97.10179	16.8
98.21387	2.8
99.08103	3.0
105.07018	11.8
107.08602	18.9
109.06517	2.8
109.10157	41.0
111.08098	6.2
111.11701	5.0
113.09673	1.9
115.82329	1.9
119.08569	16.1
121.10144	22.8
123.08115	2.2
123.11687	18.4
125.09653	2.8
125.13292	1.4
127.11156	1.6
129.05495	3.0
133.06306	1.5
133.10130	19.3
135.11687	12.5
135.58705	1.2
137.13251	7.9
139.11186	1.8
141.12750	3.0
147.11679	10.5
149.13242	12.3
150.59515	1.3
151.11192	1.8
151.14844	5.2
161.13263	12.7
161.68878	1.4
163.14825	10.7
165.16397	6.4
167.14320	2.0
175.14786	10.1
177.16393	2.0
179.14363	1.6
179.17955	5.4
189.16429	4.8
203.18016	2.1
207.17470	1.5
245.20500	1.2
245.22655	40.1
263.23682	52.6
337.27368	31.3
355.28415	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	355.1725
Annotation	His Ala Gln
Peak:m/z	Relative Intensity
50.39979	0.2
55.05537	0.2
67.05507	0.3
69.03406	0.2
71.04980	0.3
71.62548	0.3
73.45540	0.2
79.05494	0.3
81.07054	0.4
81.68612	0.2
85.02904	0.5
91.05431	0.2
93.07069	0.3
95.04971	0.2
95.08584	0.3
105.07041	0.6
107.04929	0.3
107.08595	0.2
109.10137	0.3
115.05473	0.4
117.07011	0.3
119.08580	0.4
121.06474	0.2
121.10111	0.3
123.04468	0.2
129.92464	0.1
133.02980	0.2
133.06487	0.3
133.09981	0.2
137.06024	0.5
141.06956	0.3
145.06509	0.2
145.76837	0.2
147.08064	0.6
161.06012	0.6
163.03905	0.8
165.09174	0.2
167.07025	1.8
169.06468	0.4
175.07558	3.2
189.08961	0.2
192.10234	0.3
193.08594	0.7
201.05499	0.5
201.09129	0.2
237.00801	0.2
309.11136	0.2
337.16119	0.3
355.17261	100.0
356.07745	0.3
356.17670	3.3
365.96024	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1726
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06585	1.3
69.77707	1.1
69.78126	0.7
89.56689	0.3
98.21431	0.6
104.32343	0.3
104.88896	0.3
127.03821	0.3
131.04919	0.3
137.05989	1.7
161.05890	0.3
163.07536	0.4
167.06996	0.5
175.07512	0.6
193.08621	0.3
201.03706	0.3
203.05298	4.5
203.84212	0.3
205.08760	0.4
220.85605	0.3
274.62460	0.3
276.01630	0.3
307.43848	0.3
311.09140	1.1
338.70416	0.3
355.17264	100.0
356.18103	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	355.1724
Annotation	His Ala Gln
Peak:m/z	Relative Intensity
51.52380	0.3
55.01856	0.3
58.06591	0.3
64.25488	0.3
69.52228	2.9
85.02887	0.4
91.04970	0.3
91.39731	0.3
95.08600	1.2
108.00521	0.3
116.78137	0.3
135.11693	0.5
143.08395	0.3
163.03838	0.3
175.10939	1.4
183.62674	0.3
203.05254	47.5
244.07899	0.5
312.04517	0.3
355.17249	100.0
356.17715	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	355.2839
Annotation	2-Linoleoyl Glycerol
Peak:m/z	Relative Intensity
53.03942	4.2
54.03548	2.6
55.05507	24.1
57.03433	7.3
57.07067	12.2
57.13236	2.1
65.03947	2.6
67.05505	73.7
69.07061	42.2
70.51737	7.6
71.04984	2.7
71.08630	6.1
71.66965	2.7
79.05486	18.2
81.07054	100.0
83.08612	27.4
83.40489	2.6
85.06523	3.5
85.10181	3.1
88.07650	3.1
91.05450	15.0
93.07036	28.3
95.08599	84.0
97.06535	10.6
97.10181	21.2
99.08131	5.8
105.07028	10.6
107.08583	24.4
108.14321	2.9
109.09418	1.6
109.10153	50.3
111.08083	4.6
111.11718	6.9
119.08596	14.3
121.10152	29.7
123.08042	3.4
123.11730	20.7
125.09679	2.2
133.10129	12.8
135.11728	16.2
137.09587	2.9
137.13257	7.7
147.11702	10.0
149.13266	10.8
151.14806	6.0
161.13229	16.7
163.14815	9.7
165.16422	6.0
175.14827	9.1
179.17920	7.8
189.16409	6.1
211.94165	2.6
245.22665	48.4
263.23712	50.4
281.24594	3.0
320.39291	2.6
337.27338	36.5
355.15308	3.8
355.28516	5.9
356.35141	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	355.1538
Annotation	3'-Methoxyglabridin
Peak:m/z	Relative Intensity
55.01857	1.5
58.06560	1.5
58.87659	1.1
69.48337	9.9
69.48724	1.7
79.05473	1.7
81.07027	1.9
83.50493	1.0
84.91074	1.2
91.05450	7.8
91.51386	1.4
93.07063	1.4
95.19303	1.2
96.92398	1.0
98.21468	1.8
103.05437	1.7
105.07032	8.3
107.04944	3.6
111.54787	1.2
115.05428	5.6
117.07012	5.1
119.08600	5.8
123.04421	3.1
128.06180	2.1
129.06970	5.6
131.04866	1.2
132.05702	3.9
133.06502	7.9
137.05959	4.4
141.06992	11.2
143.05991	1.3
145.06458	2.7
147.08034	18.9
147.11610	1.0
151.07533	1.2
158.07259	1.3
160.05197	4.0
161.05981	11.5
163.03914	1.8
165.05348	1.3
167.07045	53.0
169.06490	18.7
170.07030	1.3
175.07541	100.0
176.07857	4.1
186.06670	1.9
187.07449	1.8
189.09079	3.6
191.07027	3.6
193.08612	31.6
194.04469	1.9
194.08830	1.7
201.09123	7.1
203.05281	2.4
231.07967	1.9
239.06903	1.3
257.47430	1.2
265.08493	2.9
267.10358	1.3
277.08539	1.7
288.94012	1.4
291.10107	1.7
295.09644	1.9
295.12994	1.6
311.09125	2.0
311.12598	2.8
323.12381	1.7
324.13373	1.4
325.10620	3.0
355.15750	35.8
356.15390	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1727
Annotation	His Ala Gln
Peak:m/z	Relative Intensity
50.43510	0.2
51.62561	0.2
58.06599	5.2
62.01746	0.2
70.06605	0.2
71.58540	0.2
71.58982	0.3
79.05531	0.2
81.03388	0.3
84.24455	0.2
85.02905	0.4
89.03905	0.5
91.05842	0.5
93.07032	0.4
95.67995	0.2
98.97546	0.3
107.04910	0.4
117.03372	0.3
123.08051	0.3
135.04390	0.8
137.05977	1.0
145.02873	0.4
147.04388	0.5
152.07037	0.3
163.03908	2.9
164.04271	0.5
175.07544	0.5
175.10982	0.2
180.07802	0.4
185.04131	0.3
187.07455	0.5
193.04906	1.7
193.11931	0.7
203.05269	8.8
231.06468	0.4
237.00609	0.3
237.02776	0.3
251.76143	0.3
258.41583	0.3
337.15878	0.7
355.17249	100.0
356.14423	0.8
356.18359	1.8
367.66995	0.2
371.13464	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1538
Annotation	3'-Methoxyglabridin
Peak:m/z	Relative Intensity
50.40231	0.3
53.10480	0.3
55.01894	1.0
56.96555	0.3
67.05498	0.4
69.65262	2.1
69.65678	0.5
78.04734	1.2
79.05482	1.9
81.07059	0.7
85.81918	0.3
91.05461	6.0
93.07034	0.4
95.04978	0.9
103.05450	1.7
104.06297	1.0
105.07033	7.1
105.07683	0.6
106.04163	0.7
107.04951	2.8
115.05447	6.0
117.07013	4.9
118.04166	0.6
119.05032	0.4
119.08579	7.3
121.06485	0.5
123.04442	3.1
124.05219	1.4
125.09640	0.3
128.06195	2.9
129.07005	5.2
131.04945	1.6
132.05714	5.5
133.06496	6.1
134.03668	0.4
137.05977	1.2
141.06993	11.2
141.08110	0.6
142.07416	0.3
143.04993	0.4
143.06094	0.6
143.08582	0.3
145.06444	1.9
146.07245	0.5
147.04396	0.8
147.08041	19.3
147.52580	0.3
148.05089	0.5
151.03900	0.5
152.04659	0.9
155.06108	0.3
157.06508	1.9
157.07614	0.4
158.07243	1.0
159.08022	0.6
160.05197	4.0
161.05974	11.5
161.09625	0.4
163.03879	0.8
163.07549	0.9
167.07034	46.5
168.07385	1.3
169.06480	16.6
170.07098	1.0
171.07925	0.4
173.09639	1.0
174.06798	0.5
175.07541	100.0
176.07870	2.4
181.08537	0.4
186.06746	1.1
187.07532	1.4
189.09100	3.7
191.07007	2.8
193.08603	28.7
194.08893	0.8
201.09088	6.6
203.08530	0.4
206.07320	0.3
207.07973	0.4
219.07973	0.6
221.57932	0.3
231.07983	1.0
247.07597	0.6
248.08322	0.6
249.09113	0.8
250.06290	0.3
251.06853	0.4
255.10078	0.3
259.07428	1.0
262.09595	0.5
263.10535	0.9
265.08417	0.9
267.10056	0.4
276.07816	0.6
277.08563	0.6
279.09982	0.6
280.10754	0.4
281.08072	0.4
289.08389	0.3
291.09869	1.1
293.44992	0.4
295.09488	0.4
295.13065	0.5
305.11734	0.4
309.10983	0.5
311.12891	1.7
323.12534	1.1
323.46628	0.3
325.10669	0.7
337.10498	0.4
355.15234	32.8
356.15552	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1723
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06600	2.3
69.03400	0.3
69.07050	0.3
69.88690	0.3
71.58929	0.4
79.05485	0.5
81.03155	0.7
81.07053	0.9
83.05025	0.3
85.02900	0.8
91.05392	0.5
93.07030	0.6
95.08596	0.7
103.05447	0.3
105.07024	1.1
107.04936	0.9
107.08588	0.6
109.10149	0.8
115.05481	0.4
119.04918	0.4
119.08540	0.7
121.10140	0.4
125.09594	0.4
125.20630	0.4
129.07004	0.7
131.04933	0.5
133.10124	0.9
135.11703	0.3
137.05968	1.6
145.06374	0.3
147.08044	0.7
149.05988	0.5
149.09615	0.4
151.03903	0.3
151.07607	0.5
151.11174	0.4
157.06361	0.6
161.05972	3.1
163.03906	1.1
163.07556	1.0
167.07066	1.6
173.09390	0.4
175.07561	4.6
175.14803	0.5
183.05255	0.3
187.05811	6.2
187.07436	0.6
189.09102	1.3
191.10429	15.1
193.04924	0.5
193.08560	0.5
205.06676	0.4
209.11450	0.6
219.08052	0.4
224.08434	0.4
234.06757	0.6
235.07495	0.7
249.09198	0.5
251.10684	0.7
253.01157	0.3
264.07751	0.4
265.08557	0.7
277.08728	0.7
277.12119	0.5
279.10135	0.7
280.10974	1.1
281.08255	0.5
293.08160	0.4
296.10416	0.9
309.11218	0.8
311.09183	0.9
311.12784	3.2
323.09479	0.5
325.10989	0.4
326.58484	0.3
337.16473	1.7
337.24118	0.3
355.17273	100.0
356.17706	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	355.1514
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	0.3
56.96569	0.4
69.87589	2.4
70.27353	0.3
71.58327	0.4
72.08140	1.2
79.05492	1.2
81.07069	0.6
91.05468	0.9
93.07020	1.0
95.04980	0.4
95.08596	0.5
105.07024	0.7
107.08571	1.6
114.09166	0.9
119.04929	1.0
124.19103	0.4
133.10115	1.2
147.04411	4.8
148.04684	0.4
150.12778	2.5
163.03989	0.4
187.03604	0.6
188.16273	0.4
191.10445	0.9
220.41241	0.4
314.17737	0.4
348.81909	0.4
355.15140	100.0
356.15021	4.8
356.18756	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1513
Annotation	Thr-Ile-OH
Peak:m/z	Relative Intensity
62.61362	0.3
70.16581	0.9
70.16976	1.0
95.26167	0.4
95.58050	0.3
98.21328	0.5
113.39320	0.4
138.53879	0.4
355.15152	100.0
356.15509	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	355.1515
Annotation	Unknow
Peak:m/z	Relative Intensity
56.45626	0.2
67.52636	0.3
70.91703	0.7
78.57159	0.3
80.70757	0.3
89.77533	0.3
99.51292	0.3
111.61858	0.3
112.34214	0.3
118.02023	0.3
127.84956	0.3
187.03664	0.7
271.94052	0.3
355.15155	100.0
356.15521	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	355.1515
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45655	0.1
51.45231	0.1
54.57280	0.1
56.96548	0.2
67.05508	0.2
71.62553	0.3
79.05500	0.2
81.07047	0.8
81.87867	0.1
83.04970	0.5
91.05434	0.5
91.05872	0.2
93.07040	0.5
95.08611	0.2
105.07022	0.5
107.08589	0.2
109.10184	0.4
119.04934	0.3
123.11720	0.3
133.10150	0.9
133.85991	0.2
135.04274	0.2
145.91052	0.2
147.04404	2.4
163.03920	0.6
166.26813	0.2
180.39951	0.2
187.03598	0.8
191.10429	0.8
243.06253	0.5
337.14063	7.2
338.14453	0.4
355.15143	100.0
356.15472	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	355.1514
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74742	0.2
51.76265	0.3
56.96557	0.4
69.39323	0.7
69.39725	2.0
72.08138	0.3
81.07038	0.6
86.38873	0.3
98.20744	0.4
103.05462	0.4
105.07005	0.6
107.08577	0.3
119.04918	0.5
131.04950	0.4
133.06471	0.3
133.10133	0.4
147.04387	1.9
149.06017	0.7
161.06033	0.4
165.05518	0.3
175.07822	0.3
177.05452	1.3
187.03725	1.8
191.10423	1.2
193.05016	0.4
194.21956	0.3
204.04413	0.3
239.02216	0.4
291.06522	0.3
323.09155	0.3
342.26596	0.3
355.15146	100.0
356.15463	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	355.1023
Annotation	Chlorogenic Acid
Peak:m/z	Relative Intensity
55.10235	0.4
57.01911	0.4
65.03938	0.4
67.05493	0.4
69.03406	0.4
70.06578	0.5
71.04989	0.7
71.58939	0.6
72.08138	0.3
73.04718	0.4
79.05485	1.5
81.07044	0.4
83.04965	0.8
85.02905	0.9
86.09700	0.4
87.83344	0.3
89.03913	6.8
90.13929	0.3
91.05763	1.1
94.58395	0.3
95.04968	0.8
95.08632	0.3
100.64674	0.4
107.04955	2.3
111.04425	0.6
117.01608	0.4
117.03374	8.3
133.02779	0.3
135.04417	19.6
139.03865	0.5
145.02844	12.9
145.03984	0.9
147.04370	1.1
159.84157	0.3
161.06087	0.3
163.03899	100.0
164.04179	2.1
182.95250	0.3
193.04947	1.5
207.07661	0.6
241.86209	0.3
247.05914	0.3
268.97787	0.8
285.00873	0.6
355.07278	0.6
355.13538	0.5
355.17337	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1175
Annotation	3-Hydroxyterphenyllin
Peak:m/z	Relative Intensity
51.52985	1.5
51.92617	1.3
54.53062	1.3
55.01870	2.3
55.05507	1.8
56.96560	1.4
58.06610	1.4
65.03922	1.7
67.05500	1.8
71.54971	2.9
81.07044	3.5
85.02882	3.2
91.05426	2.6
93.07034	3.1
95.04959	2.2
95.08601	3.6
96.02132	1.9
100.39540	1.6
105.07030	3.0
107.04883	1.9
109.10148	2.5
110.58873	1.4
111.04426	13.0
111.35119	1.2
115.05441	1.9
119.08605	1.9
121.10091	3.0
129.07028	1.6
131.04907	2.8
133.10115	2.2
137.05963	5.6
138.59677	1.4
139.03819	3.2
141.06917	1.4
145.06488	4.7
147.04391	1.5
147.08008	1.6
149.05894	1.8
155.04834	2.1
158.99582	1.5
159.08038	3.0
161.05984	2.7
161.92108	1.4
163.03860	7.1
165.06970	3.3
166.07758	2.7
167.07030	4.5
171.04402	3.5
172.40714	1.6
173.06026	3.0
175.04050	1.4
175.07487	5.8
177.05461	1.7
177.06964	3.3
178.07788	4.9
179.06958	1.8
179.08501	3.3
181.10193	1.7
183.08014	2.4
185.06024	3.2
186.06734	8.8
187.07573	2.6
189.07051	3.1
190.07741	2.5
191.08539	3.4
193.04919	2.5
193.06471	2.8
193.08595	1.7
194.07233	7.0
195.08095	3.8
198.06760	1.8
199.07565	5.4
201.05487	4.3
205.06458	9.5
206.07272	6.0
207.08055	5.1
208.05223	2.1
208.08823	3.5
209.09634	5.4
211.07495	4.9
216.07768	6.8
219.08025	7.6
221.06035	7.7
221.09618	1.7
222.06702	9.8
223.07495	5.7
224.08278	2.8
225.09090	2.5
233.05875	5.2
234.06738	6.5
235.07553	8.0
236.04686	2.1
236.08316	14.9
237.09085	18.1
239.06979	8.2
239.10690	2.3
241.08626	2.2
245.05882	1.8
245.09642	2.3
247.07472	5.0
248.08275	2.1
249.05458	2.9
249.09053	5.4
250.06267	9.9
251.07024	16.2
251.10674	6.5
252.07747	2.8
253.08632	3.6
254.09297	3.1
255.10065	2.0
261.09207	2.0
262.06213	3.9
263.07065	3.9
263.10764	1.8
264.07742	6.1
265.08606	32.0
266.09274	6.2
267.06555	12.1
267.10153	6.1
269.11615	6.5
273.08945	2.8
276.07751	2.4
277.08588	6.4
279.06744	8.0
279.09885	8.2
280.07306	3.1
281.07974	4.8
282.08960	8.7
283.09433	1.7
284.67590	1.6
291.09830	1.3
292.07230	2.0
293.08020	16.6
294.08859	7.9
295.06323	2.5
295.09641	16.5
297.11069	11.4
298.59821	1.8
305.08130	3.5
305.11490	3.1
307.09711	2.5
309.11359	3.8
310.08383	12.8
311.09119	2.5
323.09079	16.6
323.12689	4.0
324.09698	2.9
325.10681	100.0
326.10965	2.3
327.12286	5.6
334.55844	1.6
337.10577	6.3
337.14264	2.1
355.11612	42.3
355.15002	3.6
356.11951	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	355.1021
Annotation	ST077074
Peak:m/z	Relative Intensity
53.03958	0.3
55.05501	0.3
55.79471	0.3
56.05027	0.6
58.06577	0.4
59.47521	0.3
61.02917	0.2
67.01842	0.6
68.99796	0.2
69.03406	0.6
71.19907	0.7
73.02898	0.2
76.28426	0.3
79.05491	0.2
81.03399	0.5
81.07034	0.3
85.02905	1.7
90.35994	0.2
91.05836	0.4
93.06989	0.3
95.04944	0.3
95.08578	0.2
97.02863	0.4
98.06031	0.9
105.03395	0.5
105.06993	0.5
109.02875	0.4
114.92379	0.2
119.04882	0.3
121.10122	0.4
123.04403	0.3
125.05991	0.6
127.03895	0.5
133.06459	0.3
133.10121	0.3
135.04384	0.3
137.05960	1.1
138.83292	0.3
143.08636	0.2
145.06389	0.3
147.04419	0.9
151.03943	0.6
153.01817	0.5
153.71635	0.2
153.94844	0.2
163.03867	1.1
167.07048	0.4
169.05002	0.6
175.07530	0.6
175.11182	3.7
190.05316	0.5
193.04958	100.0
194.05298	1.7
200.70026	0.2
201.05426	0.6
203.05247	2.7
205.05063	0.4
340.25357	0.3
355.17261	25.2
364.26849	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.1182
Annotation	OxIAA-Glc
Peak:m/z	Relative Intensity
57.33677	0.4
61.02909	0.9
63.24881	0.4
67.05492	1.3
69.03412	1.9
69.07044	0.6
70.06583	0.5
71.04982	1.4
71.50671	0.9
72.08775	0.5
73.02914	1.1
79.05487	0.5
81.03393	1.3
83.04926	0.5
85.02910	3.9
86.11831	0.4
87.04470	0.8
89.03896	1.6
91.05468	1.7
94.06574	4.4
95.04958	0.8
97.02872	1.4
99.04449	0.5
105.03413	0.4
107.04967	2.4
109.02825	0.5
115.07542	0.7
117.03372	1.0
117.05772	0.7
118.06528	4.4
120.08125	0.6
121.06487	1.5
122.06041	4.7
127.03883	1.1
131.04881	0.8
133.02818	1.0
134.05994	1.0
135.04388	3.2
137.05936	0.5
145.02817	2.4
145.04883	0.4
146.06001	14.7
147.06770	0.9
150.05455	1.4
154.55792	0.4
156.88164	0.4
157.08516	0.5
158.97308	0.5
162.05498	1.5
163.03903	27.8
164.07066	5.6
171.67430	0.4
174.05504	100.0
175.05867	2.5
175.09639	0.6
176.07056	2.1
180.06029	0.5
192.06549	53.2
193.04962	4.3
193.06944	1.2
234.98808	0.8
270.80490	0.4
306.29596	0.5
336.10754	0.9
337.03836	1.4
354.11823	55.4
355.04343	0.8
355.12112	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1021
Annotation	Chlorogenic Acid
Peak:m/z	Relative Intensity
51.02387	0.2
52.71394	0.2
53.03937	0.2
63.02371	0.3
64.16046	0.2
65.03921	0.2
66.68968	0.1
67.05505	0.2
70.71794	0.5
79.05493	1.1
83.04965	0.6
83.73285	0.2
84.52354	0.2
89.03906	5.6
89.93527	0.1
93.03394	0.2
93.54142	0.2
95.04964	0.5
107.04951	2.0
111.04448	0.3
117.03377	7.6
135.04407	16.5
136.04718	0.3
139.76913	0.2
145.02837	12.4
146.03181	0.4
163.03894	100.0
164.04228	2.4
181.04959	0.4
195.50461	0.2
229.61047	0.2
269.29025	0.2
337.09464	0.2
372.68536	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.3364
Annotation	Anandamide (20:l, n-9)
Peak:m/z	Relative Intensity
52.36365	2.0
55.05511	12.9
56.05024	3.6
57.07074	18.0
58.02943	3.0
58.06595	23.1
60.04512	7.6
67.05481	7.9
69.07063	29.1
70.02937	3.8
70.06590	12.1
70.76659	6.2
71.08632	10.6
74.06074	4.2
81.07054	20.8
83.08625	18.4
84.08126	9.0
85.10155	7.4
86.06049	6.1
87.06883	3.6
91.28207	2.3
93.07026	4.1
95.08610	24.4
97.10152	12.4
106.79962	2.3
107.08580	4.1
108.08118	3.3
109.10140	8.5
111.11712	6.2
118.98364	2.3
123.11749	4.0
124.40792	2.2
173.73267	2.2
238.02470	2.6
268.29968	4.0
291.90695	2.5
294.31485	3.6
306.31476	6.8
308.33051	6.4
326.34186	4.9
336.32678	11.8
336.36261	2.1
354.33633	100.0
355.33881	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	354.0892
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24048	1.6
55.01863	5.0
55.05510	2.6
56.05048	1.5
56.96564	32.2
57.03436	37.2
61.02924	18.0
65.03912	2.0
67.05481	1.8
69.03433	19.8
69.56481	13.1
70.06573	2.8
70.35461	1.4
71.01350	3.3
71.04993	13.5
71.95271	1.6
72.08119	1.8
72.90655	1.7
73.02916	85.1
75.04458	1.8
79.05516	2.0
81.03412	6.0
81.07056	2.3
83.04969	5.7
84.96036	6.7
85.02900	48.2
86.03221	3.0
86.09705	2.5
87.04459	5.1
89.03907	7.9
91.03945	3.1
91.05417	18.7
93.07035	4.8
95.04974	3.7
97.02281	2.5
97.02893	38.3
98.03178	2.3
98.97578	37.5
99.04443	3.3
101.05991	2.8
102.97043	2.1
103.03888	1.6
103.05472	3.1
104.01254	1.7
105.07027	2.7
105.41663	1.5
107.04937	11.2
107.08562	2.4
109.02869	5.2
110.01314	4.2
110.07097	2.6
110.97564	9.3
111.02039	2.5
111.04440	3.8
112.99094	1.7
115.02359	3.2
115.03932	10.2
116.98620	26.7
117.01942	1.7
117.03380	7.3
119.01865	7.7
119.04934	21.9
121.06504	54.7
123.04424	3.4
127.03915	15.0
128.02313	5.5
128.98601	19.0
129.05460	2.1
131.00150	7.3
131.01842	2.6
133.01677	2.6
134.03598	2.8
134.99638	18.7
135.00537	2.1
135.04416	21.3
136.06200	5.7
137.02983	2.0
137.05963	12.8
138.02541	2.2
138.09135	13.4
140.00325	1.9
140.07062	2.2
142.02780	1.9
143.00165	6.6
143.01892	3.9
144.00491	2.2
145.01720	3.0
145.02756	14.2
145.04951	5.8
146.99657	25.3
147.03136	3.2
147.04381	3.1
148.03850	2.3
149.01187	8.8
149.05980	2.5
150.01683	1.6
151.07535	10.8
153.00710	3.1
155.02908	2.1
158.99637	10.0
159.03214	1.6
160.01938	1.8
160.07581	4.5
161.01228	12.9
161.02847	3.1
162.01781	2.7
162.03111	2.9
162.99164	4.7
163.03905	100.0
164.04242	5.2
164.07053	4.3
165.00735	8.3
167.02776	5.5
169.03307	6.7
169.04590	2.0
170.05208	1.8
170.99657	8.0
173.01228	2.5
173.02904	4.0
174.99223	1.9
175.02837	2.8
175.04436	1.5
176.03375	6.4
177.00716	16.5
177.07822	1.6
178.03838	16.6
178.54059	3.6
179.00206	2.2
179.02194	2.1
185.01282	2.5
186.99159	2.4
187.02821	1.9
187.04401	5.2
189.00726	13.3
191.02315	1.8
191.03889	2.7
192.10191	3.0
193.00220	2.8
193.01785	3.7
193.09724	1.9
194.05109	2.8
195.01678	2.7
196.20941	1.8
197.01234	3.1
201.00691	6.8
203.02234	4.7
203.04031	3.4
205.00262	2.5
205.03705	3.3
207.01738	4.5
211.00941	2.2
211.02693	9.5
214.04140	2.6
219.01788	20.0
220.02251	3.7
220.04163	9.9
220.06044	3.8
221.05025	2.1
221.09250	3.4
222.09532	7.5
223.01256	3.1
227.02200	2.3
229.03871	4.8
235.02768	3.6
235.05351	40.2
235.55550	9.4
236.06087	1.7
237.02791	41.5
238.03209	3.2
239.02393	2.0
242.03758	2.7
242.06319	8.0
244.06055	11.6
250.09351	4.4
251.04459	3.0
251.06772	15.4
251.56868	2.3
253.03865	3.8
255.03825	3.5
255.56778	6.7
256.06879	2.6
259.00970	2.0
260.04639	3.5
260.07019	8.8
260.57471	2.4
262.57657	2.1
263.00577	2.3
263.56317	2.0
269.05475	2.1
270.05548	2.8
271.58151	2.1
272.05521	3.0
272.56577	2.0
273.06531	2.6
277.05933	3.5
281.05862	2.9
285.00967	2.0
286.06039	2.9
295.07175	3.9
299.05942	2.3
307.04733	2.2
312.06897	4.6
337.05896	12.3
338.06192	3.0
345.08514	5.2
354.08591	3.4
354.12460	7.7
355.07047	5.7
373.08041	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	1.8
55.05511	13.4
57.03427	3.3
57.07056	4.5
58.62968	1.7
61.67608	1.7
65.03930	4.2
67.05502	74.0
69.07066	7.6
69.36726	9.5
69.37138	8.3
79.05054	3.5
79.05489	39.3
81.07057	82.0
82.07378	2.0
83.08609	7.2
85.06554	3.6
91.05487	17.7
93.07042	50.0
95.04978	4.2
95.08608	60.3
97.06501	3.2
97.10169	2.3
99.08106	1.9
99.12038	1.9
105.07027	15.4
107.08592	34.5
109.10161	32.2
110.17957	1.6
111.11762	1.6
117.07016	6.9
119.08582	12.1
121.10139	29.5
123.11719	15.6
131.08568	19.5
133.10104	10.1
135.11685	25.6
137.13258	5.8
145.10150	12.2
147.11723	12.8
149.13248	21.5
151.14839	2.3
159.11694	13.9
161.13239	6.6
162.27126	1.7
163.11115	2.5
163.14828	11.9
165.12746	2.9
169.16664	1.7
173.13260	16.0
175.14865	3.4
177.12700	1.7
177.16368	4.4
187.14806	7.5
233.22556	3.1
243.21091	26.4
261.22128	100.0
262.22461	7.0
278.13553	2.3
279.23260	2.7
315.05576	1.9
335.25757	7.3
353.26865	32.1
354.27243	2.6
364.80389	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2685
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
51.73344	1.9
53.03930	3.4
55.05514	13.5
55.73704	1.7
57.03439	5.4
57.07072	4.2
59.25441	1.9
65.03909	2.1
67.05505	95.7
68.05814	2.1
68.51246	1.9
69.07069	15.0
69.36802	18.3
69.37186	3.8
71.05033	1.6
71.08604	2.3
79.05495	44.1
81.07057	100.0
83.08615	7.7
85.06532	3.4
91.04945	3.5
91.05468	20.0
93.07047	56.1
95.04996	3.5
95.08611	68.9
97.06512	4.0
97.10204	2.5
105.07036	14.9
107.08606	32.7
109.10155	34.3
117.07002	7.3
119.08582	15.8
121.10147	33.6
122.10526	2.2
123.11695	19.1
124.89666	2.0
125.09616	2.4
126.07983	2.0
129.46101	1.9
131.08582	19.5
133.10126	11.7
135.11710	27.0
137.13274	7.8
137.46306	1.9
139.11238	2.6
145.10115	12.3
147.11708	12.0
149.13271	16.3
151.14801	2.4
159.11708	13.0
161.13281	7.3
163.14812	11.2
165.16360	3.0
167.39848	2.0
173.13232	15.5
174.37857	2.0
175.14757	2.0
177.16402	5.6
179.14293	2.4
187.14861	9.0
189.16528	2.1
195.76166	2.0
201.16460	2.3
205.62473	2.0
208.86462	2.0
233.22679	2.5
243.21103	23.0
261.22144	92.8
262.22556	7.6
279.23145	7.0
311.46631	1.9
335.25714	14.4
353.26852	26.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.0
54.43076	1.1
55.05510	12.7
57.03434	3.3
57.07071	4.1
65.03939	1.2
66.83662	1.1
67.05502	81.8
68.05825	1.4
69.07065	11.3
70.09353	3.3
70.09740	2.5
71.04999	2.0
75.04472	1.4
77.83633	1.0
79.05489	37.0
81.07056	81.3
82.07381	1.2
83.04974	1.8
83.08614	4.7
85.06547	2.7
91.05474	20.7
93.07038	54.5
94.07380	1.7
95.04978	2.9
95.08604	63.8
97.06513	1.7
97.10178	3.5
99.08065	2.6
102.10188	1.1
105.07020	16.8
107.08588	36.3
109.06499	2.1
109.10148	35.0
111.08070	2.3
113.09672	1.7
117.07005	11.0
119.08578	13.6
121.10135	31.7
123.08060	1.4
123.11701	19.8
125.09570	2.0
131.08565	17.4
133.10130	14.5
135.11688	28.8
137.09642	1.4
137.13235	7.1
139.11226	1.5
145.10120	15.5
147.11671	11.7
149.13239	23.0
159.11687	16.6
161.13228	9.3
163.11212	1.3
163.14828	13.4
165.12769	1.3
173.13272	17.4
175.14845	3.7
177.12741	1.5
177.16385	4.3
179.14325	1.8
187.14853	8.7
191.14249	1.5
201.16338	1.5
215.18001	2.0
219.17421	1.6
233.22606	5.7
243.21077	26.8
261.22137	100.0
262.22488	6.7
263.23660	1.8
279.23190	4.6
335.25854	8.4
351.31369	1.5
353.26862	33.7
353.58810	1.3
354.26956	1.5
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
53.03948	3.1
55.05284	1.6
55.05508	12.9
57.03419	5.0
57.07072	5.0
65.03945	2.0
67.05504	84.0
69.07060	14.0
71.04990	2.0
71.08625	1.8
71.30128	2.1
71.30482	1.5
79.05059	2.4
79.05495	37.7
81.07057	94.6
82.07401	1.5
83.08610	7.5
84.38828	1.2
85.06561	2.9
87.96513	1.2
91.05476	17.7
93.07041	48.8
95.04954	3.8
95.08606	74.7
96.08940	1.9
97.06533	2.0
97.10184	3.1
99.08044	2.8
105.07028	15.3
107.08592	34.8
109.09449	2.7
109.10155	35.9
111.08064	2.4
117.07018	7.3
119.08561	10.5
121.10139	30.4
123.08118	1.7
123.11712	21.4
125.09633	2.1
129.50993	1.3
129.97522	1.3
131.08559	15.1
133.10104	11.4
135.11705	21.7
137.09612	1.9
137.13255	8.3
145.10104	13.9
147.11717	10.4
149.13261	20.6
151.14835	2.9
159.11708	12.0
161.13286	10.8
163.11107	1.9
163.14844	10.5
163.39908	1.3
165.12804	1.6
173.13239	16.3
174.31970	1.3
175.14804	2.3
177.12694	1.4
177.16422	4.3
187.14833	8.8
191.14214	1.8
201.16368	2.4
205.15891	1.7
233.22641	4.1
243.18689	1.0
243.21048	26.6
244.21532	1.8
253.10544	1.6
261.22144	100.0
262.22476	6.8
279.23157	6.8
317.54132	1.3
335.25867	17.1
336.26361	1.7
353.26859	41.3
354.27209	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	353.2684
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.15242	2.1
55.05510	12.3
56.94478	2.2
57.03423	7.0
65.03922	2.8
67.05504	88.1
67.26627	2.6
68.05826	2.2
69.07063	13.6
69.27882	26.6
71.04949	2.7
71.08598	2.7
75.04502	3.0
79.05488	36.5
81.07053	100.0
82.07399	2.8
83.08616	8.6
85.06523	3.1
91.05478	17.7
93.07043	50.2
95.08605	68.6
97.06540	3.8
97.10190	2.7
105.07015	13.9
107.08585	33.8
109.10152	39.8
111.27554	2.2
117.07020	7.1
119.08594	15.3
121.10138	30.9
123.11707	18.8
131.08571	20.3
133.10164	11.6
135.11691	27.1
137.13269	10.6
145.10109	18.4
147.11671	9.3
149.13261	17.3
153.12738	2.9
159.11665	11.3
161.13255	9.3
163.14847	10.9
173.13232	12.3
175.14836	4.6
177.16382	6.2
187.14798	10.0
191.14362	2.8
201.16493	3.3
233.22629	5.4
234.31387	2.3
243.21098	26.6
247.53665	2.6
261.22141	96.1
262.22476	5.3
279.23215	7.6
313.88376	2.5
335.25632	15.8
353.26843	35.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63473	1.4
53.03942	2.7
55.05506	13.2
57.03415	3.0
57.07073	4.6
58.55009	1.4
62.83407	1.4
65.03928	2.7
67.05505	81.0
68.05834	2.5
69.07081	9.8
70.10583	1.5
70.76366	3.2
70.76740	3.2
71.04967	2.0
72.36239	1.8
72.51498	1.6
76.44319	1.8
79.05062	3.1
79.05497	40.6
81.07056	85.3
83.08624	8.4
84.29781	1.5
85.06570	1.9
91.05482	18.7
93.07043	54.4
93.07632	3.4
95.04974	3.8
95.08607	62.2
96.08960	1.5
97.06530	3.0
99.08067	2.9
105.07034	14.3
107.08590	36.6
109.10152	36.5
110.10472	2.1
111.11659	2.8
113.09641	1.6
117.07008	7.4
119.08582	13.9
119.33577	1.7
121.10146	33.7
123.11714	19.5
131.08583	20.0
133.10149	10.4
133.67522	1.7
135.11688	25.0
137.09599	3.0
137.13290	9.0
145.10112	17.1
147.11700	8.5
149.13261	18.1
153.12740	1.8
159.11703	12.8
161.13258	7.8
163.14850	13.5
163.67601	1.7
165.12776	1.6
165.32695	1.5
173.13237	13.7
175.14818	5.0
177.16409	6.0
179.14227	2.4
187.14769	9.6
191.14226	1.8
201.16405	3.2
205.15894	1.7
233.22688	3.9
243.21086	26.0
244.21391	4.6
261.22147	100.0
262.22464	9.8
263.23871	3.1
279.23209	4.4
312.28949	1.6
317.24631	2.4
329.32632	1.5
335.25806	9.3
353.26840	37.1
354.27161	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	353.1358
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	2.1
56.96560	4.4
57.03437	1.7
67.05485	6.8
69.03409	1.6
70.73195	2.5
70.73524	3.0
79.05493	4.2
81.07040	6.7
83.04984	2.2
90.00183	1.6
91.05456	7.4
92.31465	1.6
93.07022	6.2
95.04946	2.1
95.08602	5.2
105.07024	2.8
107.04922	1.9
107.08586	8.3
108.85409	1.5
109.10136	5.9
117.07009	1.8
119.04942	3.8
119.08586	3.0
125.09634	27.3
131.08591	2.9
135.11674	2.4
139.11183	1.6
143.11790	1.6
147.04404	10.7
147.87749	1.5
148.04689	2.4
163.03906	3.5
167.10667	32.5
168.11017	2.1
182.44891	1.7
187.03658	12.1
189.08868	100.0
190.09192	3.0
191.06827	1.9
207.09938	2.4
230.11520	5.1
239.02197	2.2
353.13541	90.5
354.13907	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	353.2298
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35187	0.3
55.05511	1.0
56.96558	0.4
58.06595	0.3
67.05497	1.1
69.07053	0.9
69.74582	1.9
70.87240	0.3
77.00933	0.7
79.05491	0.6
79.52383	0.3
81.07053	1.2
83.08601	0.4
89.68287	0.3
91.05522	0.8
93.07034	1.1
95.01952	0.6
95.08591	1.2
105.07024	1.0
107.08603	0.9
107.86869	0.3
109.10143	0.8
109.88620	0.3
110.11391	0.3
116.98540	0.3
119.08550	0.7
121.10154	0.4
121.65341	0.3
133.10046	0.4
135.11690	0.7
145.10139	0.7
147.04398	0.6
159.11797	0.4
163.03940	0.4
167.07060	0.6
173.13336	0.5
189.08850	0.4
201.83157	0.3
215.11230	0.7
219.10710	0.4
231.10793	0.8
233.12257	0.5
243.14438	1.1
253.12805	0.5
271.13858	0.9
289.09344	0.3
294.24545	0.3
317.19510	0.4
335.20633	1.9
353.13751	12.6
353.22968	100.0
354.13916	1.3
354.23233	3.9
354.26685	0.6
371.22702	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0842
Annotation	7-Hydroxymethyl-12-methylbenz[a]anthracene sulfate
Peak:m/z	Relative Intensity
59.07222	1.5
59.59878	1.6
61.02926	2.3
69.03434	4.1
70.50555	5.4
70.50915	2.4
73.02905	1.9
85.02899	9.0
92.22800	1.7
97.02883	2.8
98.97586	2.6
110.97536	2.8
116.98621	1.7
119.01926	5.1
127.02512	1.6
127.03916	3.7
143.01913	2.3
145.03456	14.3
155.01910	2.5
157.03513	3.8
161.03008	6.4
173.03027	7.0
173.52211	2.0
174.04553	2.9
183.05048	6.0
185.02953	4.0
187.04608	2.0
190.98753	2.8
191.04010	9.4
203.04062	6.3
208.99763	2.5
232.99744	3.2
233.05136	10.3
245.05106	11.4
251.00752	2.0
251.06166	2.6
255.04742	1.6
255.07156	2.0
263.06146	6.3
269.39139	1.7
272.06479	3.9
313.52206	1.9
353.08478	100.0
354.08972	3.8
365.09201	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	353.1358
Annotation	Unknow
Peak:m/z	Relative Intensity
66.46355	2.8
67.05486	7.8
69.39330	2.5
69.52288	23.1
81.07034	8.7
84.47522	2.4
93.07011	5.1
95.08624	3.4
96.72064	2.3
107.08566	2.9
109.06531	3.5
109.10150	27.3
111.86877	2.7
131.08572	3.8
135.33878	2.6
147.04301	3.1
151.11145	4.7
173.09380	3.7
195.08980	3.2
203.03145	56.7
221.04176	3.3
244.05759	3.4
267.74216	2.5
353.13550	100.0
353.22766	4.4
354.13809	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	352.2846
Annotation	Melophlin R
Peak:m/z	Relative Intensity
51.22836	2.2
55.05507	9.4
56.05027	6.6
58.02943	5.2
58.06587	2.4
66.20477	2.2
67.05497	33.2
69.07071	15.5
70.06595	36.4
71.08649	3.0
71.61005	4.4
79.05494	16.3
81.07066	27.4
82.06584	11.2
83.08620	6.6
84.04523	5.4
91.05471	7.1
93.07040	16.5
94.06531	5.5
95.04973	3.5
95.08606	23.4
96.08141	13.1
100.11289	2.7
105.07027	7.3
107.08598	6.5
108.08094	3.1
109.10182	12.1
110.09736	2.2
114.12811	2.6
119.08578	5.1
121.10130	4.8
122.21399	2.6
126.12792	29.1
131.08540	2.2
133.10097	3.7
135.11693	6.4
143.89612	2.3
154.12270	11.5
161.13142	2.7
166.15953	21.8
180.13835	5.8
198.55482	2.3
212.16444	33.5
220.16986	7.1
240.15950	6.9
252.19598	32.8
293.24866	2.5
334.27338	6.4
352.28467	100.0
353.28827	6.4
354.07910	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	352.1237
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.7
55.05497	1.3
56.05017	1.2
56.96560	1.4
57.03435	1.8
57.05811	6.1
60.04523	1.6
61.02909	1.5
63.18016	0.8
67.05495	1.1
69.03426	6.5
69.52968	0.8
70.06584	5.0
71.03710	1.4
71.04962	0.9
71.60216	1.0
71.60594	1.3
72.93786	0.8
73.02924	1.6
73.05295	6.2
74.06056	1.0
79.05466	0.9
81.03403	1.3
81.07048	1.4
82.06576	7.4
83.04974	1.7
84.04494	1.5
85.02898	8.7
85.05282	5.3
86.06072	3.7
86.09693	0.9
87.04455	1.2
91.05470	1.0
95.04931	1.2
97.02902	3.5
98.06065	4.8
98.97567	3.4
99.06840	2.0
100.07610	4.7
101.04781	0.9
107.04957	0.9
107.08606	1.1
109.02855	1.1
109.06490	1.0
109.10182	0.9
110.06033	8.1
110.97536	1.0
111.04433	1.5
111.06827	1.8
116.03476	3.8
116.07074	1.0
116.98577	2.3
117.04250	1.9
119.04969	1.1
122.06023	0.8
123.04417	2.6
123.11673	1.3
126.12775	2.7
127.03938	3.6
128.07076	37.6
129.07869	5.2
129.10196	0.8
134.99669	1.7
137.06021	1.5
138.05478	3.8
139.06290	4.7
140.07062	4.7
144.06503	4.9
144.13850	7.4
145.05016	0.8
147.04399	1.0
156.06577	1.4
157.07367	1.7
158.08109	2.4
158.97400	1.0
161.01196	1.1
161.02405	0.9
162.05470	0.8
172.06049	5.0
172.09700	1.4
172.13304	1.4
174.07661	1.0
174.14119	0.7
176.98473	0.9
177.00708	1.5
178.03885	1.0
190.07100	100.0
190.10742	2.4
190.14360	11.0
191.07375	0.9
192.08708	1.7
208.98947	1.8
219.01768	2.3
234.98920	2.7
237.02806	3.7
259.06497	1.0
292.80838	0.9
311.06357	0.7
337.06076	3.0
352.19794	1.1
353.03250	1.4
353.12094	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.1027
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	1.5
56.96557	7.9
57.03433	3.3
58.06589	2.4
61.02914	3.2
66.42547	1.0
67.05503	2.1
69.03436	7.2
69.07056	2.2
69.54208	8.3
71.04979	2.2
72.08118	1.5
73.02913	5.1
78.66469	1.0
79.05486	1.4
81.03405	3.7
81.07049	2.0
83.04964	3.0
84.08151	1.3
84.96019	1.5
85.02903	21.9
86.09689	1.9
89.03915	1.6
91.05461	3.3
93.07027	1.9
97.02883	9.9
98.97585	10.3
99.04440	1.7
107.04951	9.1
108.05286	1.2
109.02879	3.0
109.06515	1.2
110.97577	1.2
111.04448	3.6
116.98621	10.0
119.04912	1.6
123.04463	2.3
123.05557	1.8
123.67738	1.1
126.12777	4.0
127.03917	5.9
128.98602	3.0
129.05508	1.6
130.08627	1.2
132.40134	1.1
134.99663	6.8
135.04492	2.1
136.06189	1.5
137.06000	5.1
141.05473	1.2
143.00192	1.7
144.13838	11.3
145.02864	1.1
145.04956	2.8
146.99637	4.8
147.04402	4.5
147.05540	0.9
149.01242	2.1
153.00682	1.5
154.04788	1.1
155.07005	2.5
158.97482	1.5
158.99651	2.6
160.31122	1.3
161.01207	2.9
162.05501	78.4
163.03920	9.6
163.05888	2.3
172.13214	1.2
176.98447	1.7
177.00685	3.4
178.01102	1.4
189.00623	1.8
190.04990	100.0
190.14388	15.7
191.05402	2.0
195.79221	1.2
197.01183	1.0
201.00659	1.5
203.07487	3.3
205.03764	1.2
208.99074	2.1
212.07971	1.6
216.97951	1.1
219.01817	3.9
234.98993	4.1
237.02768	10.1
243.09073	1.8
253.00114	1.4
269.05527	1.6
311.06302	2.4
321.09299	1.9
352.10208	2.1
352.19904	2.8
353.03723	2.1
353.08258	6.2
353.12363	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2529
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.2
55.01870	8.3
55.05260	2.5
55.05511	32.6
57.03439	18.0
57.07062	3.9
57.66011	1.5
65.03931	2.1
67.05508	71.5
67.05874	3.4
69.03425	1.9
69.07073	29.6
69.95853	6.2
71.04972	3.7
71.08630	8.2
71.91969	1.5
79.05489	51.8
81.07058	71.3
83.04984	6.5
83.08627	16.9
85.06533	4.5
91.04958	2.9
91.05486	35.1
91.06009	1.2
93.07048	57.3
95.04980	8.0
95.08608	42.6
97.06527	8.7
97.10170	9.9
98.21464	2.0
99.08089	6.5
104.14017	1.6
105.07035	39.1
107.04910	1.7
107.08588	44.0
109.06503	10.7
109.10150	27.8
111.04449	4.0
111.08083	4.6
117.07035	8.1
119.08585	35.8
121.06512	1.7
121.10155	30.3
123.08077	4.0
123.11697	6.8
125.06017	2.5
125.09605	8.9
125.37708	1.5
129.07007	3.0
131.08575	11.9
133.10144	30.6
135.08044	2.4
135.11700	29.5
137.05963	24.7
137.09659	2.8
137.13248	2.3
139.11151	3.4
143.08568	4.7
145.10146	9.9
147.04391	2.1
147.07965	2.2
147.11697	26.5
149.09576	4.0
149.13261	17.2
151.11205	5.7
157.10158	4.5
159.11671	11.1
161.09654	2.6
161.13234	18.1
163.11115	3.8
163.14830	5.2
165.12717	3.9
166.49901	1.5
171.11688	8.1
173.11752	4.0
173.13301	6.2
175.14818	7.5
177.12782	3.0
179.14316	7.1
181.12256	1.9
185.13249	5.4
187.14780	2.6
189.11150	3.9
189.12688	2.8
193.14096	1.6
198.67961	1.4
199.14845	3.2
203.17871	2.1
213.16383	2.6
217.19447	2.0
231.17395	4.6
231.20987	3.8
241.19519	12.7
249.18568	3.7
259.20572	39.4
260.20996	2.5
277.17993	12.5
277.21628	33.4
295.18991	1.9
333.17484	1.9
333.24167	3.2
351.12073	2.1
351.18314	4.8
351.21878	3.6
351.25290	100.0
352.25381	3.8
369.19315	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	351.2527
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.0
54.04514	1.9
54.06769	1.7
55.05511	15.0
56.96552	8.3
57.03437	17.6
57.07067	3.4
59.04987	2.2
65.03934	3.4
67.05501	55.0
69.07070	15.7
70.84550	4.5
71.04996	4.4
78.30751	2.0
79.05495	65.1
79.35219	1.9
81.07058	63.2
82.07378	2.3
83.08610	8.0
85.06515	5.7
89.03873	2.5
91.04895	2.2
91.05478	55.6
93.07042	85.6
95.04963	11.8
95.08604	42.5
97.06516	4.2
97.10157	6.0
99.08051	2.6
104.99033	2.0
105.07024	47.8
107.08597	58.0
109.06497	11.2
109.10155	52.3
110.10500	8.5
111.08097	2.2
113.09618	2.4
117.07001	14.9
119.04921	8.1
119.08581	43.9
121.10139	41.9
121.11013	2.8
123.08023	2.9
123.11697	6.2
129.07008	6.7
131.08542	18.2
133.10133	46.2
134.10480	2.3
135.04408	3.5
135.11688	47.7
143.08530	9.9
145.10133	19.0
147.04416	26.2
147.11693	37.6
148.11989	2.0
149.13268	26.6
151.11189	6.8
157.10103	5.9
159.11690	17.5
161.09564	2.2
161.13264	28.4
163.03871	12.5
163.11154	4.0
163.14803	8.7
164.04144	3.0
171.11662	11.7
173.13286	10.8
175.14824	13.2
177.12798	5.2
185.13197	10.9
187.14796	5.7
189.12811	4.0
199.14790	7.1
201.07970	3.1
203.14368	3.1
213.16527	3.7
215.17870	3.3
217.19463	3.3
231.21078	7.0
237.00664	11.7
237.84361	1.9
238.01070	2.4
239.02286	3.7
241.19504	30.2
250.18832	2.1
255.01808	9.1
257.03183	3.4
259.20569	86.3
260.20938	2.3
273.02893	10.5
277.21643	16.4
333.24350	9.4
351.25278	100.0
352.25735	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2529
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.6
55.01854	2.3
55.05507	19.0
56.96558	11.3
57.03434	7.6
57.07069	5.7
58.79772	1.4
65.03923	2.9
67.05502	48.3
67.85101	1.5
69.07063	20.1
71.04978	3.0
71.08617	3.0
71.62651	1.8
74.32298	1.4
75.04467	2.1
79.05489	67.0
81.03413	15.3
81.07052	90.2
83.04974	2.5
83.08613	9.8
85.06524	4.4
91.05471	55.6
92.52280	1.5
93.07037	82.5
94.07357	2.3
95.04953	9.0
95.08602	43.7
97.06519	4.0
97.10174	3.2
98.97598	2.1
99.08080	5.1
105.07027	57.6
107.07860	2.9
107.08590	52.8
109.06505	5.2
109.10149	21.0
111.04477	1.9
111.08047	2.6
113.09658	2.5
117.07016	11.9
119.04932	8.6
119.08572	51.2
120.05268	1.7
121.06480	1.8
121.09315	3.0
121.10143	46.4
123.08069	3.6
123.11704	64.2
124.12033	1.9
125.09614	3.2
128.06213	2.5
129.06995	8.2
131.08559	19.2
131.96959	1.3
133.10123	54.6
134.10455	2.8
134.99536	1.6
135.08022	3.0
135.11681	43.6
137.05966	7.8
137.09573	4.2
137.13210	2.0
139.11189	1.7
143.08577	10.2
143.09503	1.6
145.10112	22.3
147.04390	26.7
147.11676	49.7
148.04703	9.5
149.09613	5.1
149.13246	26.1
150.96098	1.7
151.11165	5.6
153.04640	1.4
157.10126	11.0
159.11674	18.7
161.09541	2.4
161.13254	41.4
163.11163	5.5
163.14813	10.2
167.10651	4.7
171.11676	13.0
173.13205	12.1
173.14478	1.4
175.11157	3.6
175.14809	18.1
177.12804	2.5
177.16469	2.3
179.14301	1.6
185.13283	13.1
187.14758	3.2
189.12721	3.0
195.03291	2.7
199.14793	9.2
200.89696	1.5
203.14381	3.4
207.06667	1.5
207.13869	2.4
209.01138	2.5
211.02737	3.2
213.04324	9.8
213.16335	3.6
215.17879	1.9
217.19524	3.8
221.01286	3.3
231.17441	5.4
231.21025	8.3
235.16962	2.0
239.02222	13.9
241.19490	41.1
242.19795	1.6
243.09099	4.3
257.03271	9.4
259.20560	100.0
260.20947	4.2
261.10150	2.2
262.03998	2.8
277.18256	3.4
277.21606	19.2
295.19055	2.2
303.06717	1.7
333.24161	11.0
351.11823	2.1
351.25296	95.8
352.25641	6.6
367.04803	2.3
371.11462	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2528
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96528	1.4
53.03938	4.0
55.05503	12.7
57.03433	8.3
65.03946	1.7
67.05175	2.6
67.05502	43.9
69.07056	14.8
70.04636	8.5
73.50074	1.5
74.34122	1.4
75.04472	2.8
79.05490	54.0
81.07057	50.0
83.08613	7.8
85.06547	2.9
85.09164	1.7
91.05476	49.7
93.07040	84.9
95.04977	8.6
95.08604	37.8
97.06518	4.2
97.10173	3.8
99.08086	3.0
101.33347	1.5
105.06297	2.1
105.07024	53.3
107.08595	55.2
109.10141	14.6
117.07013	10.4
119.04915	5.5
119.07792	2.9
119.08578	41.8
121.10136	41.6
123.08044	3.4
123.11702	4.4
128.06137	1.8
129.07005	7.8
131.04749	1.7
131.08563	18.5
133.10127	43.9
135.08139	1.7
135.11687	44.4
138.83173	1.7
143.08543	9.2
145.10121	20.5
146.42668	1.6
147.04410	25.3
147.11681	47.1
148.04688	2.0
148.11957	1.8
149.09596	2.7
149.13261	28.8
151.11183	1.8
157.10106	6.1
159.11697	19.2
160.61853	1.9
161.13251	33.5
163.11226	2.4
163.14821	11.0
171.11716	12.9
173.13266	11.1
175.11087	2.9
175.14827	13.7
177.12776	3.1
179.14340	1.9
183.25638	1.8
185.13269	17.5
187.14816	4.7
189.12793	2.9
191.14308	2.5
199.14810	6.5
213.16356	4.8
217.15858	1.9
217.19501	3.4
222.30611	1.7
231.17535	1.8
231.20967	8.3
235.16803	1.8
241.17189	3.3
241.19516	38.7
259.20569	98.7
260.20963	4.8
277.21686	13.8
333.24252	12.9
351.25275	100.0
352.25525	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2529
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73014	2.1
55.01860	2.6
55.05514	16.2
56.96576	4.2
57.03421	8.1
57.07067	5.1
57.55048	2.2
65.03930	2.1
67.05167	2.9
67.05506	47.6
69.07070	20.3
70.05595	4.4
70.05995	7.4
71.04983	4.5
75.04479	2.8
77.03942	2.3
79.05492	61.4
81.03409	3.2
81.07056	50.8
83.04976	2.4
83.08587	7.1
85.06535	3.9
91.04963	3.9
91.05478	48.2
93.07042	100.0
94.07361	3.6
95.04976	8.6
95.08611	37.2
95.40485	2.0
96.98740	2.0
97.06528	6.2
97.10176	4.2
99.08071	5.9
105.07021	59.6
106.07285	2.4
107.08595	55.0
109.06525	4.9
109.10148	15.0
113.09639	2.1
117.06995	9.7
119.04922	6.9
119.07785	3.8
119.08581	46.8
121.10143	42.4
123.08086	4.7
123.11713	3.6
125.09486	2.1
129.07011	7.4
131.08577	17.7
133.10130	45.1
133.76125	2.1
135.08128	3.3
135.11684	49.7
137.05966	3.4
143.08539	6.0
145.10110	23.9
147.04419	17.4
147.11687	39.9
149.09656	3.7
149.13266	26.3
151.11177	4.9
157.10141	8.0
159.11697	16.3
161.13234	27.3
163.03888	2.4
163.11247	4.4
163.14804	9.2
165.12764	3.5
171.11743	12.3
173.13251	7.9
175.14737	15.6
177.12680	3.1
179.14360	2.3
185.13216	8.8
188.91623	2.2
189.12810	2.6
199.14839	5.9
213.16399	4.3
217.15968	2.7
217.19475	3.7
231.17461	3.2
231.21130	7.0
241.19498	31.2
259.20575	97.9
260.20877	5.0
277.18597	3.4
277.21530	19.0
333.17389	2.8
333.24307	14.0
341.73758	2.1
351.07449	4.6
351.14435	3.0
351.18411	8.7
351.25299	91.6
352.25497	6.8
369.19516	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	351.2526
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57353	1.7
53.03948	4.0
55.01868	2.7
55.05507	15.4
57.03428	6.7
57.07053	4.7
65.03919	1.9
67.05175	2.9
67.05502	42.7
69.03404	1.9
69.07068	18.8
71.04984	2.5
71.08616	7.2
71.59756	2.0
75.04446	2.8
79.05486	54.8
81.03389	2.0
81.06582	2.6
81.07053	49.9
83.04944	2.4
83.08594	7.1
85.06524	4.9
91.05476	60.1
93.00079	1.5
93.07037	82.3
95.04947	7.5
95.08603	34.1
97.06516	5.5
97.10135	4.4
99.08089	10.4
105.07021	58.0
107.08588	47.0
108.08933	2.2
109.06546	2.7
109.10144	15.9
111.08071	2.9
113.09667	1.9
116.94302	1.5
117.07002	14.3
119.08580	49.5
121.09293	3.1
121.10130	34.0
123.08088	2.3
123.11665	4.2
125.09686	2.1
128.06219	2.0
129.06976	9.1
131.08556	22.3
133.10126	44.8
135.08046	2.2
135.11685	35.1
137.09535	2.4
143.08553	8.6
145.10117	20.9
147.04340	4.3
147.11681	47.2
149.09595	2.3
149.13257	20.7
151.11163	5.7
154.13062	1.7
157.10126	11.9
158.25845	1.6
159.11679	17.1
161.11972	2.4
161.13255	37.0
163.03922	2.5
163.11142	4.1
163.14822	5.5
165.12798	1.9
171.11687	15.8
173.13235	10.8
175.11232	2.0
175.14818	18.6
177.12790	4.0
179.14291	3.8
185.13240	14.6
187.14864	2.3
189.12761	3.4
199.14841	7.5
213.16319	3.9
215.17850	2.1
215.54257	1.8
217.15991	2.6
217.19414	3.4
231.08904	1.9
231.17380	3.0
231.21097	11.2
241.19492	35.3
242.19878	1.7
242.35086	1.7
259.20560	100.0
260.20856	4.0
261.22278	1.9
277.21585	12.1
333.24408	3.4
351.11703	3.1
351.18347	3.3
351.25278	93.0
352.25641	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	351.2527
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03471	1.5
51.23023	1.6
53.03933	3.8
53.88278	1.5
55.01862	4.0
55.05269	1.6
55.05510	24.2
57.03434	48.2
57.07056	5.5
59.04995	1.5
59.91521	1.4
63.60677	1.6
65.03912	4.2
67.05501	62.7
69.07069	15.6
69.38924	15.8
71.04968	5.9
71.08622	7.9
71.35035	1.5
73.63477	1.4
79.05487	50.3
81.03397	1.8
81.07054	71.2
83.04951	5.9
83.08614	13.0
84.10974	1.5
85.06543	8.5
91.05477	46.6
93.07038	74.3
94.07359	2.2
95.04972	8.4
95.08600	50.7
97.06516	6.7
97.10159	5.0
99.08087	7.9
105.07019	44.9
107.08589	46.4
108.08911	1.5
109.06480	6.4
109.10159	22.3
111.08063	5.0
111.32509	1.6
113.09632	1.9
117.05430	1.5
117.07009	11.2
119.08578	34.1
121.06455	1.6
121.09341	2.1
121.10147	34.2
123.08041	3.6
123.11684	6.1
125.09607	4.5
129.06982	5.8
131.08577	16.9
133.10118	32.1
135.08054	2.6
135.11674	29.3
137.09630	2.0
137.13188	1.5
139.11180	2.3
143.08537	5.6
145.10136	20.0
147.04387	2.1
147.10655	2.2
147.11694	28.3
149.09628	2.6
149.13269	18.6
151.11172	4.4
157.10135	4.8
159.11671	15.6
161.13243	22.0
163.03833	2.4
163.11195	6.1
163.14815	6.0
165.12729	3.8
171.11609	7.1
173.13264	8.7
175.11142	1.9
175.14850	7.8
177.12686	2.8
177.16330	1.8
179.14319	3.8
180.24556	1.4
185.13269	8.1
187.14745	13.2
199.14955	3.1
201.16440	1.6
202.06297	1.4
203.14333	1.8
205.15852	5.2
213.16301	2.8
217.15839	2.3
221.18993	4.0
231.17395	2.5
231.21126	4.4
241.19492	17.8
259.20581	45.0
261.22107	1.8
277.21646	29.4
278.21860	2.5
333.24185	6.6
351.11954	5.7
351.25223	100.0
352.25406	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	351.2528
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	5.0
55.01859	2.5
55.05507	21.8
56.96558	6.1
57.03433	5.4
57.07056	2.5
67.05502	55.2
69.07073	17.0
70.92439	1.7
71.04965	4.3
71.60258	3.2
71.68299	1.8
73.63890	1.8
74.50008	1.7
75.04464	2.5
79.05489	57.8
80.73654	1.8
81.03409	2.3
81.07055	47.0
83.04977	7.2
83.08608	7.4
85.06547	4.0
91.05482	51.7
93.07042	92.8
95.04971	9.4
95.08600	30.7
97.06537	8.2
97.10135	5.2
99.08086	5.5
105.07024	47.1
107.08590	70.0
108.08926	2.5
109.06513	6.4
109.10162	18.2
111.08068	2.6
117.06984	10.9
119.05025	2.6
119.08584	48.4
119.09341	1.8
121.10145	46.0
121.10993	1.7
123.08053	4.6
123.11708	3.2
125.09617	24.2
126.09895	3.1
129.07004	7.1
131.08566	18.7
133.10130	39.9
135.08073	2.2
135.11694	52.3
137.09624	2.9
139.11180	13.6
143.08556	7.3
145.10109	19.4
147.04384	7.2
147.11684	43.8
149.09624	3.8
149.13252	25.9
157.10114	6.8
159.11668	15.1
161.13268	32.4
163.11235	3.7
163.14793	8.4
165.99442	2.0
167.10655	7.3
171.11736	12.8
173.13229	8.0
175.14845	15.5
177.12735	3.4
179.14273	2.2
185.13290	10.5
187.14825	2.3
189.12752	3.1
199.14796	7.5
203.14241	2.8
209.01186	2.4
211.02855	2.4
213.04378	3.4
213.16371	3.5
217.19493	3.8
231.17490	3.8
231.20995	7.8
239.02271	7.6
241.19484	28.4
255.01817	4.0
257.03354	7.7
259.20569	92.2
260.20862	3.5
273.02887	2.1
277.21652	22.3
333.24307	10.0
351.25287	100.0
352.25797	2.8
369.72321	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.253
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.9
55.05511	13.3
57.03416	5.8
57.07066	5.6
64.89329	2.3
65.03946	2.2
65.74621	2.4
67.05168	3.3
67.05500	41.9
69.07069	15.0
71.59821	3.1
77.61801	1.9
79.05491	53.4
81.07056	47.5
83.04955	3.3
83.08601	6.4
85.06512	4.9
91.05476	46.0
93.07043	76.5
94.07327	2.7
95.04935	5.8
95.08601	33.7
97.06493	3.0
97.10173	4.2
99.08080	4.2
105.06376	3.9
105.07028	48.8
107.08591	42.8
109.06494	3.0
109.10152	12.9
113.09602	3.2
114.25691	2.3
117.07006	12.8
119.04919	2.5
119.08574	47.7
120.08866	2.3
120.31975	2.1
121.10126	36.2
123.08035	2.4
123.11713	5.4
128.06203	2.4
129.06987	7.3
131.08540	21.9
133.10112	39.2
135.08101	2.7
135.11688	38.3
137.09595	2.4
137.13205	2.0
143.08551	9.6
145.10126	25.4
147.04391	7.4
147.11679	43.8
148.04768	2.2
149.13237	23.2
151.11200	2.4
157.10074	8.1
159.11697	16.9
161.13252	36.9
163.11211	3.0
163.14798	7.8
171.11714	12.3
173.13249	10.1
175.14835	13.9
177.12733	4.2
178.08530	2.2
185.13287	12.0
187.14777	2.6
189.12697	2.8
199.14841	8.6
213.16393	5.2
215.91711	2.0
217.19644	2.5
220.18016	2.2
231.21111	8.8
239.01981	2.1
241.19475	33.0
259.20572	100.0
260.20956	3.7
277.21585	13.3
333.24191	7.1
351.25262	91.7
352.25671	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2012
Annotation	Sachaloside VII
Peak:m/z	Relative Intensity
55.05496	6.1
59.04996	2.5
61.02935	2.8
63.37164	2.8
67.05506	5.5
67.43375	2.5
69.03429	7.4
69.07078	6.1
69.59017	16.7
71.04987	20.5
73.06551	3.0
73.51003	2.9
79.05502	9.2
81.07060	25.1
83.08629	3.5
85.02916	9.7
85.70766	2.5
91.05473	8.5
93.07057	18.4
95.04996	3.7
97.06551	3.4
103.05489	4.0
105.07062	4.9
106.06577	13.7
107.04941	5.6
107.08576	19.0
109.10173	5.9
111.04419	3.3
116.98659	3.8
119.08578	4.0
121.06512	3.1
123.08121	2.9
128.48495	2.6
129.05402	2.8
131.04942	33.4
135.11682	27.8
145.05057	2.6
148.07603	6.8
153.11504	5.5
153.12749	100.0
154.13091	3.3
163.04021	4.3
171.13870	6.7
189.05354	4.1
190.08647	6.7
351.10529	19.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2013
Annotation	6,7-Dihydroxydihydrolinalool 3-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
55.05505	2.6
57.03433	1.9
57.07066	2.8
59.05004	2.0
67.05495	3.9
69.03421	4.4
69.07068	13.8
70.06583	1.5
70.09651	6.8
71.04990	22.6
72.08147	2.0
73.06540	4.0
79.05495	8.0
81.03394	2.4
81.07051	30.5
83.04994	3.0
83.08617	2.2
85.02907	17.0
85.06557	9.6
91.05476	2.4
93.07048	29.2
95.04982	2.6
95.08595	6.0
97.02888	4.8
97.06523	44.2
105.07028	2.7
107.08595	22.3
109.02869	2.3
109.10155	18.8
111.08090	1.6
111.09003	1.3
119.08578	1.9
123.11697	11.9
126.14890	1.4
127.03922	3.4
127.11205	10.4
131.04961	3.3
135.11682	40.0
137.09612	2.7
141.12737	43.0
142.13036	1.6
145.04988	2.2
150.67236	1.3
153.12737	78.1
154.13026	2.2
155.10707	6.5
163.03868	2.6
171.13797	100.0
172.14156	1.8
173.11732	3.6
189.14859	60.7
329.02008	1.5
351.10449	2.5
351.14185	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	351.2141
Annotation	4,4-Difluoropregn-5-ene-3,20-dione
Peak:m/z	Relative Intensity
55.05519	0.7
56.96556	1.0
59.04988	0.9
60.16351	0.3
64.05055	0.3
67.05499	1.3
69.03432	0.3
69.07049	1.3
70.86550	0.3
71.59528	0.5
77.00903	0.6
79.05489	0.9
81.03423	0.4
81.07051	3.0
82.07397	0.4
83.04976	0.4
83.08642	0.4
91.05471	1.6
93.07055	1.2
95.01950	0.4
95.08637	0.7
97.02892	0.6
97.06542	0.4
101.98648	0.3
105.07026	1.7
107.08597	1.9
108.08918	0.5
109.06481	0.5
109.10157	1.0
119.04950	1.0
119.08582	0.7
121.10155	0.5
123.08024	0.4
123.11739	0.5
131.08560	0.5
133.10149	0.9
137.05914	0.4
137.09641	0.4
147.04417	2.7
148.04768	0.4
151.11209	0.8
161.13367	0.4
163.03937	0.4
172.13622	0.3
177.05597	0.5
178.05798	0.4
182.04427	0.3
186.51039	0.3
191.12660	0.3
200.12314	0.3
215.11333	1.0
233.12463	0.4
239.02271	0.5
243.14409	0.7
253.12965	0.9
254.93904	0.3
257.03418	0.4
257.12372	0.4
261.15717	0.3
269.10776	0.7
271.13910	1.3
291.10150	0.7
293.56354	0.3
319.09659	1.0
333.19510	1.1
351.12582	2.9
351.21414	100.0
352.21521	1.9
367.18011	1.0
368.18387	0.7
369.21335	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2164
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87604	0.6
55.01867	5.5
55.05513	3.8
55.81486	0.6
57.03438	3.8
57.07062	0.8
60.28017	0.6
67.05497	8.3
69.07065	5.5
69.36532	3.1
69.36962	2.8
71.08630	0.9
74.48378	0.6
79.05489	8.0
81.07054	33.9
82.07380	0.6
83.04998	3.0
83.08619	2.8
85.06540	0.9
91.05473	5.6
93.07045	9.6
95.04949	0.8
95.08598	7.0
97.06508	1.8
97.10159	1.3
105.07018	5.1
107.08599	6.4
109.06506	12.7
109.10149	3.0
111.04441	14.4
111.08118	0.9
117.07005	0.9
119.04919	0.6
119.08583	6.8
121.10124	5.8
123.08050	1.9
123.11685	1.8
125.05980	4.4
129.07016	0.7
130.12469	0.6
131.08560	2.1
133.10109	6.1
135.08043	1.8
135.11688	6.5
137.05974	100.0
137.13258	1.4
138.06297	3.1
143.08565	1.8
145.10120	1.9
147.04446	1.5
147.08029	2.3
147.11668	7.7
149.09639	3.3
149.13217	1.7
151.07501	3.2
151.11148	1.3
153.27664	0.6
157.10173	1.5
159.11726	1.5
161.09633	5.3
161.13266	4.4
163.11194	2.6
163.14807	1.1
165.09120	1.9
165.12717	1.0
171.11661	2.0
175.11186	5.0
175.14835	1.2
177.12752	0.6
179.10684	2.0
179.14342	0.9
185.13298	1.4
189.12758	1.7
189.16235	0.6
193.12311	1.0
203.17960	5.1
205.19542	1.0
213.16371	1.7
221.19029	1.9
231.17426	8.6
241.15915	1.2
241.19450	1.6
249.18501	11.3
259.20551	3.4
277.17993	44.0
277.21228	2.2
278.18335	2.6
295.19031	15.3
296.19421	1.4
351.21643	17.2
351.25403	6.7
352.21820	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1801
Annotation	Leucanthanolide
Peak:m/z	Relative Intensity
55.01859	1.2
55.05512	6.1
55.28224	0.8
56.74730	0.8
56.96540	3.4
59.04995	1.1
62.82563	1.0
67.05502	6.7
69.03435	0.8
69.06718	1.4
69.07067	17.8
69.07423	0.9
69.70394	6.7
71.08620	1.9
72.12548	0.9
78.34402	0.8
79.05485	7.0
81.07048	11.0
82.06906	0.9
83.04951	1.2
83.08621	1.7
83.71318	0.9
89.03910	6.6
91.05476	7.5
93.07038	16.9
95.04977	1.0
95.08607	7.3
97.06501	3.4
99.08104	1.5
105.07001	4.6
107.04951	2.9
107.08597	14.3
109.06505	3.4
109.10147	7.4
111.08101	1.1
112.17716	0.7
117.03374	8.9
119.04940	3.8
119.08594	5.2
121.10109	4.0
122.56931	0.9
123.11769	1.9
125.09624	3.0
131.08514	1.4
133.10115	4.1
135.04404	20.0
135.11688	13.3
137.05956	10.3
143.08588	0.9
145.02824	12.1
145.10104	2.0
147.04404	12.6
147.11647	3.0
149.13164	1.4
151.11137	1.3
153.12727	17.6
159.11572	1.1
160.32233	1.0
161.09689	1.1
161.13229	2.0
163.03897	100.0
163.11101	1.6
164.04208	2.8
173.13252	1.2
177.12721	1.0
181.04886	1.3
185.13293	1.3
198.98012	0.9
213.04240	1.1
239.02223	3.5
241.19521	1.0
255.13341	1.1
257.03195	2.1
259.20645	4.3
277.17941	2.8
277.21616	1.6
287.63348	1.0
315.16177	0.9
329.03256	1.0
333.16855	3.8
336.86792	1.0
351.12030	1.6
351.21362	8.2
351.25259	4.9
352.14273	1.4
357.47641	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1931
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59380	8.8
55.05512	26.4
56.96568	75.8
57.03438	16.7
57.07070	12.0
67.05511	76.9
69.07066	49.7
71.59586	22.3
79.05496	68.6
81.07050	89.8
82.74765	10.2
83.04959	10.1
83.08626	17.7
91.05470	45.9
93.07048	85.9
95.08607	56.6
102.79892	11.2
105.07030	49.9
107.08607	42.4
109.10157	30.3
116.06902	9.3
119.08600	48.4
121.10143	39.4
131.08575	12.6
133.10114	57.8
135.11693	37.9
145.10117	19.1
147.04424	34.8
147.11652	34.1
149.13292	19.4
151.11238	15.5
157.10129	17.7
159.11726	18.9
161.13277	22.7
171.11784	26.0
175.14838	23.5
197.07304	19.9
199.06375	16.1
213.08008	42.8
217.07417	15.5
229.07388	55.2
231.09039	53.0
241.19484	22.6
247.08609	59.2
252.09033	18.4
259.20517	65.8
277.21445	14.7
305.47107	13.7
333.17221	16.9
351.18948	80.7
351.25485	100.0
369.19510	69.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.126
Annotation	Estrone 3-sulfate
Peak:m/z	Relative Intensity
52.02824	0.4
56.96550	1.5
57.03434	0.8
61.02911	1.2
63.47365	0.4
69.03437	0.9
71.58975	0.5
71.59386	0.5
73.02914	0.7
76.15965	0.4
85.02908	2.4
97.02889	1.3
98.97584	1.1
101.00858	1.6
106.42669	0.4
107.39318	0.4
109.02861	0.6
111.04455	0.4
112.99153	0.7
115.02421	2.4
115.03912	0.5
116.98617	0.9
119.01921	5.4
121.01634	1.4
121.03528	0.5
127.02400	0.5
127.03921	0.7
129.03992	1.3
131.00185	1.1
131.01871	2.0
133.03461	14.9
134.03500	0.5
134.99651	0.5
137.02966	1.0
141.03923	0.8
143.00177	0.5
143.01904	0.7
145.01595	0.4
145.03482	5.9
145.04871	0.8
146.03522	0.6
146.99680	0.6
147.05060	2.5
149.01227	1.4
149.02959	0.5
151.04552	4.6
153.03972	0.5
155.01888	1.6
157.03470	1.6
159.05025	9.4
161.01289	0.8
161.02940	2.0
163.04517	1.6
169.03487	1.8
170.99605	0.5
171.05029	4.3
173.01526	0.4
173.02940	2.3
173.06590	1.1
175.02736	0.6
175.04504	1.2
177.00677	0.7
177.06082	2.9
183.05035	1.1
185.02983	1.8
185.06593	0.5
187.04533	4.0
189.00758	1.0
189.02408	0.9
189.05989	0.8
193.03851	0.7
195.07104	2.7
197.02930	0.7
197.06660	3.0
199.04570	0.8
201.06062	0.8
203.04027	0.7
207.05125	0.4
207.07111	0.6
213.02469	0.7
215.04030	0.6
215.07607	0.5
217.00204	1.3
219.07138	3.6
220.07356	0.4
221.03093	0.6
221.05098	1.4
223.04567	0.7
231.01552	0.8
231.03610	0.8
233.03099	0.5
235.06741	0.8
241.05641	0.5
243.07153	0.8
245.04938	1.0
245.08702	20.9
246.08974	1.8
247.06619	7.6
249.02966	1.3
249.08226	0.6
253.07753	1.2
259.06732	0.8
261.08231	1.1
271.06650	1.7
273.08273	1.7
279.09341	0.7
289.07657	5.2
291.04028	1.6
291.09140	0.8
307.08768	1.7
309.04987	1.7
315.05536	3.1
333.06644	6.1
333.10388	5.9
351.07242	13.8
351.12567	100.0
352.07596	1.3
352.12860	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	351.1413
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36073	0.6
58.63981	0.5
61.33774	0.5
62.87828	0.5
67.05490	0.8
69.03422	1.2
71.50436	1.3
85.02893	1.3
88.01594	0.5
97.02866	0.7
98.20886	0.6
100.58499	0.6
101.47779	0.6
109.02870	0.6
109.10154	0.9
121.06467	0.6
123.11739	0.8
125.05996	1.0
127.03889	1.2
149.09639	0.6
161.05914	0.6
171.07785	4.9
189.08919	0.8
189.12703	1.9
203.05260	5.2
207.13757	0.9
333.17136	1.2
334.16138	0.6
351.14130	100.0
352.14499	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	351.1226
Annotation	XR 774
Peak:m/z	Relative Intensity
59.98463	0.5
60.04444	0.7
67.05386	0.5
69.03338	1.6
69.03660	0.5
70.99847	1.5
79.05399	0.8
79.64315	0.5
81.03307	2.3
81.06964	1.2
85.02790	2.1
88.73143	0.5
91.05342	1.8
91.05853	0.5
91.37252	0.5
93.07009	1.1
95.04897	0.8
95.08541	0.6
98.01357	0.6
98.97427	0.6
105.06909	2.6
107.04868	1.1
107.08487	1.5
108.08838	1.0
108.09556	0.6
109.02821	1.2
119.04859	1.4
119.08482	0.6
127.03867	0.9
131.04794	2.5
131.08389	0.6
133.09976	2.1
135.11623	1.3
136.11949	1.1
137.05862	1.7
145.04935	0.6
145.06364	0.5
147.04309	2.6
161.05908	1.4
161.09483	1.1
162.02992	1.2
175.03819	1.6
187.07538	0.7
189.06894	2.1
189.09013	0.9
190.07620	2.2
191.08424	1.6
202.06110	0.7
202.07762	6.5
203.08499	4.8
204.09061	0.6
205.06480	2.9
205.10031	0.6
206.07230	1.1
207.06468	3.2
215.08566	3.1
217.06349	0.8
218.07265	3.5
219.08032	8.1
220.08791	4.3
229.06425	1.3
230.07254	6.4
231.08038	11.9
232.08751	3.2
233.05875	2.6
233.09557	1.7
234.06644	1.2
235.07368	1.0
235.11021	0.9
242.07285	1.4
243.07922	0.8
245.05946	1.8
245.09554	2.0
246.06769	5.7
247.07489	10.2
248.08313	11.1
249.08937	2.0
250.06212	0.9
258.06723	4.5
259.07520	10.5
260.08298	6.5
261.05530	5.9
261.09024	3.6
262.06110	2.1
262.09811	1.5
263.10678	4.4
265.08563	1.7
273.05908	1.0
273.09091	18.5
274.06180	4.2
274.09540	2.1
275.06979	8.1
276.07791	19.4
277.08594	7.0
287.06885	1.7
288.07700	1.1
289.04944	3.5
289.08527	9.8
290.05981	0.7
290.09341	16.0
291.06741	1.2
291.10104	15.3
292.10504	1.0
293.07947	3.0
301.08640	10.2
303.06287	1.4
304.07303	13.8
305.08047	10.3
306.08551	0.8
307.09576	0.8
308.10391	1.5
318.08896	2.9
319.09628	100.0
320.10287	18.8
321.07523	0.9
321.10800	1.3
334.81870	0.7
336.09982	3.2
337.10077	0.6
351.12259	53.5
352.12405	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.0688
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96555	1.6
63.09042	1.5
71.13093	3.5
71.50177	1.6
89.07148	1.5
92.40334	1.7
95.74492	1.6
128.27631	1.7
143.00163	3.5
160.63435	2.7
161.01228	2.6
168.59644	1.6
254.19235	1.6
267.03989	2.2
291.03876	3.9
309.04987	4.0
313.70306	1.7
351.06860	100.0
351.11514	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	351.1022
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	5.5
55.01857	3.1
56.96563	22.4
57.03421	9.8
60.04498	2.9
61.02916	8.5
69.03425	28.3
70.06587	5.0
71.04995	3.3
71.59651	4.2
73.02892	8.8
79.05469	4.9
81.03398	10.4
83.04984	2.7
83.41059	2.3
84.08168	5.1
84.96026	4.6
85.02422	3.7
85.02895	49.6
85.06556	2.6
86.03209	2.5
87.04462	6.3
88.22599	2.3
88.60763	2.3
91.03938	4.2
91.05450	7.1
93.07038	3.9
95.04948	4.2
95.63142	2.2
97.02875	30.5
98.97578	65.6
99.04440	3.4
107.04945	100.0
107.08548	4.8
108.05260	7.3
109.02858	9.2
109.06484	2.7
109.10174	3.0
110.97562	9.1
112.07568	3.8
115.04000	3.8
116.98620	52.9
119.04948	7.1
123.05537	2.9
127.03909	13.3
128.98589	19.8
131.00160	4.0
131.08661	2.6
134.99661	32.6
135.04422	3.5
137.05981	12.9
143.00125	7.6
145.04974	8.8
146.99622	22.2
147.03348	3.9
147.04404	9.8
149.01244	3.4
151.11157	4.1
153.00696	2.8
158.01176	3.0
158.99629	19.9
161.01212	11.2
162.05505	9.4
163.02661	4.6
163.03908	11.6
165.00664	2.9
165.04346	2.6
169.12198	3.2
170.99695	7.5
177.00694	36.9
178.03873	2.9
179.02278	3.1
189.00700	9.7
189.04268	3.2
190.04999	17.4
195.01773	5.4
199.04527	3.2
203.07378	4.1
204.05399	3.0
212.07947	4.4
217.05576	6.3
219.01770	21.1
229.08484	2.9
234.98975	10.0
235.02733	3.2
237.02818	58.1
252.06427	4.4
253.03874	6.3
255.03726	4.6
277.03922	5.2
280.06879	12.4
291.04135	5.3
291.07486	16.6
295.04846	8.9
305.03140	4.6
309.04944	6.8
309.08469	39.4
327.09262	4.6
332.10077	3.4
337.05853	3.6
342.09390	4.6
351.09781	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	351.1227
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36763	0.8
55.01812	1.0
60.04433	1.9
60.04714	1.0
63.36198	0.7
65.50565	0.8
67.05424	1.6
69.03327	2.6
71.04882	1.3
71.17554	1.6
79.05405	1.4
81.03305	4.9
81.06979	1.8
83.05396	1.0
85.02817	1.5
91.05363	3.7
93.06968	1.8
95.08547	1.6
97.02851	1.4
105.06916	3.0
107.04867	1.4
107.08453	2.0
109.02757	3.2
109.10090	1.7
117.06927	0.8
119.04948	4.6
119.08482	1.2
127.03819	1.6
131.04871	1.7
131.08401	0.7
133.06380	1.1
133.10078	1.7
135.04271	1.0
135.11600	2.0
137.05818	1.5
141.62154	0.8
145.10014	0.9
147.04396	5.3
147.08044	0.8
151.07468	0.9
153.12700	1.0
157.06326	0.9
161.05890	2.0
161.09496	2.0
163.03856	1.3
175.03926	3.8
179.10474	0.8
189.06998	1.0
190.07689	2.2
191.08501	1.6
202.07799	5.9
203.08560	4.5
205.06392	2.6
206.07120	1.0
207.06454	8.6
215.08507	2.8
217.06380	0.9
218.07303	4.0
219.08054	6.6
220.08801	3.9
229.06548	1.3
230.07225	6.9
231.08049	13.6
231.68996	0.8
232.08769	3.0
233.05865	3.5
233.09561	2.0
234.06697	1.5
237.09215	1.0
239.30769	0.8
242.07285	1.2
243.08089	0.9
245.05911	1.8
245.09497	2.1
246.06723	5.4
247.07562	11.3
248.08293	10.2
249.08984	1.6
258.06808	3.8
259.07516	9.7
260.08264	5.4
261.05502	4.8
261.09024	2.5
262.06378	1.9
262.09811	2.0
263.10632	2.6
265.08521	1.0
273.05893	1.2
273.09100	18.5
274.06345	3.6
274.09338	1.0
275.06985	6.6
276.07785	19.5
277.08578	5.6
279.17166	0.8
287.06866	1.3
288.07581	1.4
289.04913	2.9
289.08539	9.3
290.05975	1.6
290.09314	13.1
291.10162	12.9
292.10535	1.1
293.08072	3.0
301.08600	9.4
303.06555	1.8
304.07269	14.0
305.08066	9.6
307.09665	1.2
318.09082	2.8
319.09637	100.0
320.10321	19.0
321.07428	1.1
321.10846	1.0
323.12827	1.4
336.09857	2.9
351.12259	55.3
351.29260	1.2
352.12631	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	350.217
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.5
55.05510	2.0
57.03451	1.4
57.07058	1.6
61.02920	1.8
67.05490	1.6
69.03424	3.6
69.07066	7.2
71.04993	1.7
71.58685	2.3
79.05498	17.2
81.03445	2.3
81.07072	4.4
83.08619	2.6
85.02904	16.2
89.64408	1.2
91.03963	1.3
91.05499	4.6
93.07050	36.3
95.04996	1.6
95.08588	3.6
97.02882	3.6
97.06530	2.7
105.07022	2.7
107.08586	31.5
109.02835	2.2
109.10169	2.5
123.11698	1.8
125.13252	1.9
127.03915	4.6
133.10091	2.3
135.11688	100.0
136.12029	2.4
145.04955	6.0
145.06067	1.2
153.12730	7.8
163.06038	3.7
189.09067	1.6
236.75449	1.6
243.13985	1.2
292.16428	1.3
350.09271	2.3
351.10550	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.2171
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16716	0.8
50.18651	0.7
55.05501	2.1
57.03432	1.0
57.07065	1.8
60.10479	0.8
61.02913	0.8
67.05499	1.6
69.03407	2.3
69.07059	4.6
69.56389	0.7
71.04941	0.9
71.61558	1.3
79.05486	14.9
81.03413	2.1
81.07046	2.5
83.08620	1.5
85.02903	15.7
88.41954	0.8
91.05479	3.8
91.78334	0.8
93.07039	27.8
95.04964	2.4
95.08589	3.6
97.02885	3.1
97.06518	2.1
105.07009	1.6
107.08591	28.9
108.08888	1.0
109.02901	1.3
109.10148	2.1
119.08566	1.4
125.13282	1.2
127.03893	4.4
129.19765	0.7
133.10114	1.2
135.11684	100.0
136.12009	1.5
136.44360	0.8
137.06000	1.1
145.04955	6.2
151.11162	1.4
153.12724	8.0
163.06015	5.3
185.04224	1.3
186.04668	1.1
188.03928	1.1
188.06393	0.8
198.09726	1.3
219.13614	0.8
220.06491	1.1
243.85680	1.0
261.14801	1.4
279.15823	1.9
297.16986	1.9
315.18036	1.0
333.19202	1.2
350.09085	4.7
350.16098	1.0
351.14056	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18752	1.1
55.05505	1.6
61.02900	1.7
62.89835	1.1
67.05487	1.2
69.03427	2.5
69.07071	6.9
71.46671	2.5
71.47023	1.1
79.05488	3.7
81.07043	4.3
83.08639	1.9
85.02909	17.0
93.07047	29.1
95.08608	15.9
97.02876	4.0
97.06532	24.6
105.07044	1.4
107.08593	27.8
109.10149	12.7
111.11642	1.3
127.03945	2.2
135.11690	72.5
136.11920	1.6
137.20808	1.4
145.04935	4.4
149.61501	1.2
153.12747	100.0
154.13092	1.2
163.05962	1.6
171.13803	81.0
172.14174	1.6
213.84880	1.3
238.47575	1.4
319.66547	1.2
366.24417	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.217
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.8
55.05506	1.1
57.03424	1.9
57.07077	1.2
61.02914	2.8
67.05492	1.3
69.03422	4.4
69.07073	4.2
71.04975	1.3
71.42339	1.2
72.48536	0.6
79.05489	14.3
81.03407	2.0
81.07050	3.3
83.08610	0.8
85.02902	31.7
91.03936	1.3
91.05472	2.2
93.07040	32.5
95.04958	0.9
95.08614	1.4
97.02889	6.0
97.06512	1.9
99.04432	1.8
105.07066	0.7
107.08595	19.8
109.02883	2.4
109.10159	11.4
110.10475	1.5
119.08621	0.6
120.08076	1.0
125.13221	1.3
127.03941	6.1
127.94658	0.6
133.10156	1.2
135.11687	100.0
136.12032	1.6
137.13243	1.2
145.04948	9.6
151.11142	1.6
153.12744	21.6
163.06017	4.1
169.12335	0.9
170.12563	0.8
279.15912	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.2171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.1
55.01858	2.5
55.05506	2.5
55.39751	1.0
55.92183	0.9
57.03435	2.7
57.07073	1.7
60.04525	7.2
61.02934	5.1
67.05492	3.4
69.03123	1.3
69.03429	12.4
69.07085	5.1
70.76608	1.7
71.04983	3.0
73.02907	1.8
77.76790	0.9
79.05489	20.9
81.03427	4.7
81.07054	6.9
84.04538	0.9
85.02904	71.7
87.04458	1.1
91.03973	2.6
91.05468	6.4
93.07043	40.5
95.04965	2.2
95.08609	2.2
97.02888	13.8
97.06514	2.6
99.04443	2.9
100.11322	1.0
105.07027	3.4
107.08595	25.5
109.02872	6.4
109.10174	2.1
117.07030	1.3
119.08515	1.7
121.06474	1.3
127.03918	13.6
133.10179	2.1
135.11691	100.0
137.13228	3.8
145.04968	17.3
147.04393	5.2
153.12741	7.7
163.06007	3.6
249.77327	0.9
261.14853	1.2
277.84061	1.1
290.51578	1.0
291.10074	1.3
296.25879	1.7
312.72900	1.0
314.26920	1.9
319.09650	2.6
332.27881	4.0
350.17691	1.2
350.28857	8.4
351.12265	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	351.0601
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62738	1.3
56.96561	36.4
58.72728	1.3
63.67884	1.2
69.48937	8.4
69.49350	3.0
84.96029	1.9
87.80148	1.3
88.71835	1.1
98.21549	2.3
98.96951	0.9
98.97571	21.9
112.99174	1.3
114.95322	1.3
116.98609	17.9
119.01907	1.7
123.36189	1.2
124.99090	11.8
127.00685	2.5
131.00166	2.2
133.03459	2.7
134.99677	9.5
140.00145	1.5
141.02200	3.5
143.00159	38.4
145.01733	2.2
145.03477	4.4
152.98601	3.5
157.01794	1.9
159.03302	2.3
161.01222	30.5
161.02657	2.3
167.00211	1.8
169.01695	6.1
170.99649	21.6
179.02263	3.0
185.01210	18.5
185.02792	1.5
186.99234	2.7
187.02924	6.4
187.04382	1.9
189.00693	33.2
189.02313	2.1
201.00841	1.8
203.02274	17.4
203.04028	2.6
205.00217	6.6
207.01811	5.8
213.00691	12.3
215.04051	1.6
217.01880	1.3
221.03300	3.5
229.02188	2.8
231.01784	18.4
234.04076	1.6
247.01263	1.8
249.02826	23.2
267.03891	12.6
273.02768	3.3
282.50665	1.5
285.04996	8.3
286.03738	1.5
291.03824	55.8
292.04254	2.9
301.02295	1.4
309.04895	100.0
327.05969	9.2
331.06140	1.9
332.06479	6.6
351.07584	2.4
361.09198	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2737
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
55.05513	1.7
57.07074	4.1
60.71370	0.2
67.05183	0.2
67.05505	2.9
69.07067	2.5
69.36279	0.2
71.04987	0.5
71.08620	2.2
71.60575	0.3
71.60940	0.3
79.05484	1.8
81.07053	5.7
83.04987	0.4
83.08613	1.1
85.06549	2.2
91.05455	1.3
93.07039	2.2
95.04977	0.6
95.08045	0.3
95.08609	4.5
97.06513	0.6
99.08088	1.6
105.07037	1.7
107.04928	0.6
107.08591	1.8
109.06518	17.3
109.10128	1.8
110.06803	0.3
111.08099	0.5
117.06992	0.4
119.08591	1.5
121.06493	0.3
121.10123	1.5
122.07277	2.1
123.08067	22.5
123.11701	0.7
124.08367	0.4
131.08568	0.6
133.10127	1.5
135.08064	2.9
135.11638	0.3
136.08810	0.4
137.09569	0.7
137.13235	0.4
145.10127	0.6
147.04527	0.2
147.11688	1.1
149.09564	0.4
149.13283	0.3
151.14783	0.5
159.11713	0.4
161.13239	0.5
163.14874	0.2
165.12737	0.7
167.14320	0.8
171.11652	0.3
175.11215	0.2
175.14874	0.5
177.16328	0.3
179.14307	100.0
180.14651	3.1
191.14297	0.2
191.17946	0.2
193.15857	2.5
215.17816	0.2
233.18916	0.3
251.16248	0.3
253.34441	0.2
254.80139	0.2
271.11328	0.2
289.25281	0.5
293.21103	0.5
306.41766	0.2
331.26282	2.2
349.27371	92.8
350.27701	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	349.2739
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
55.05507	3.2
57.07074	2.7
57.86280	0.5
63.18780	0.5
67.05500	3.4
69.06772	0.5
69.07071	5.4
71.04989	0.9
71.08617	1.6
79.05482	2.2
81.07064	6.0
83.08607	1.6
85.06528	1.4
88.92854	0.5
91.05471	1.9
93.07056	3.4
95.04925	0.9
95.08607	5.6
97.06557	1.3
98.21507	1.5
99.08106	0.9
105.07011	2.6
107.08595	3.1
109.06517	11.8
109.10146	2.4
111.08055	1.0
119.08572	2.0
121.10144	2.1
122.07290	0.8
123.08071	36.2
123.11678	0.8
133.10132	1.8
135.08080	3.1
135.11707	1.3
137.09596	2.0
145.10115	1.0
147.04405	0.6
147.11650	1.2
151.11200	0.7
159.11655	0.6
161.13240	1.0
163.11229	0.7
167.14328	0.6
177.12747	0.5
179.14311	58.0
180.14627	1.2
181.18141	0.5
193.15872	1.9
195.09904	1.1
229.74927	0.7
275.20096	0.7
289.25635	0.5
293.21133	6.5
331.26245	1.9
349.23459	14.1
349.27350	100.0
350.23895	1.0
350.27582	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14351	2.3
55.05505	5.4
57.03418	2.5
67.05492	16.8
69.03417	3.4
69.07067	3.2
70.86005	7.9
71.04969	5.4
75.04500	2.4
79.05498	3.5
81.03394	3.3
81.07066	18.8
83.08604	5.7
85.02908	17.6
85.06529	3.0
86.09728	3.4
91.05465	6.7
93.07039	36.0
95.08610	17.0
97.02867	5.4
97.06507	7.0
105.07031	6.1
107.08593	39.1
109.02878	7.6
109.06483	2.8
109.10159	34.6
113.30672	2.3
119.08564	5.2
120.08054	3.6
123.11654	6.5
127.03884	3.2
133.10060	2.9
135.11697	91.5
136.05856	2.1
137.13237	2.5
145.04924	3.8
147.04497	3.1
153.12750	100.0
169.12250	2.6
171.13815	51.9
338.98236	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2736
Annotation	6-pentadecyl Salicylic Acid
Peak:m/z	Relative Intensity
54.28128	0.4
55.05506	2.4
59.08139	0.3
67.05482	1.5
69.07072	3.9
70.58179	0.4
71.31062	0.7
75.13049	0.3
79.05484	1.5
81.07043	2.6
83.08600	1.1
89.15670	0.3
91.05459	0.6
93.07038	1.5
95.08598	2.1
105.06963	0.6
107.08582	1.2
109.06500	4.4
109.10110	0.5
111.08084	0.5
119.08588	1.0
121.10083	0.4
123.08064	18.8
135.08034	2.2
137.09665	0.4
149.09601	0.4
149.13290	0.5
152.90749	0.4
154.87065	0.3
167.14369	0.5
179.14305	1.3
293.21066	4.2
303.26880	0.5
331.26297	1.7
349.27350	100.0
350.27655	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2736
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
53.03939	0.6
55.01855	0.7
55.05283	0.6
55.05511	4.1
57.07066	1.8
59.46771	0.3
61.55240	0.4
67.05502	4.5
69.07067	8.6
71.04988	1.2
71.08617	0.5
79.05485	3.0
81.07056	7.6
82.24529	0.4
83.04996	0.9
83.08606	3.1
85.06541	0.5
91.05480	2.0
93.07044	3.7
95.04930	0.5
95.08599	5.3
97.06518	1.8
97.10169	1.1
99.08102	0.5
103.72182	0.5
105.07044	2.1
107.08604	4.2
109.06513	8.8
109.10153	2.8
111.08064	1.9
117.06991	0.6
117.85822	0.5
119.08562	2.5
121.10151	4.2
123.08061	55.2
123.11690	1.5
124.08366	1.0
125.09641	0.8
131.00148	0.4
131.08556	0.6
133.10144	2.4
135.08023	4.0
135.11714	1.7
137.09615	3.3
145.10130	1.1
147.11687	1.6
149.09647	1.4
149.13257	1.1
159.11682	1.5
161.13242	0.7
161.68311	0.4
163.11194	0.4
173.13226	0.5
175.14932	0.4
177.12752	0.5
179.14308	9.0
233.18994	0.9
275.20114	1.7
289.24948	0.6
293.21088	16.4
303.26907	0.6
307.22711	1.2
331.26331	2.2
349.27359	100.0
350.27783	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2736
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
55.01862	0.3
55.05521	1.3
55.05741	0.2
57.06812	0.4
57.07074	4.1
60.82354	0.4
67.05505	2.3
69.07072	2.3
70.85520	0.5
70.85861	0.3
71.04983	0.5
71.08622	2.2
79.05492	2.0
81.07054	4.4
83.04970	0.5
83.08630	0.6
85.06541	2.3
91.05473	1.0
93.07034	1.8
95.04962	0.6
95.08047	0.4
95.08608	4.2
97.06512	0.4
97.10141	0.3
99.08095	1.5
105.07049	1.4
107.08584	2.0
109.06519	16.8
109.10159	1.5
111.08096	0.5
119.08559	1.6
121.10158	1.3
122.07288	1.8
123.08070	22.3
123.11747	0.4
131.08582	0.5
133.10114	0.8
135.08049	2.6
135.11659	0.4
136.08765	0.3
137.09622	0.8
137.13239	0.5
145.10092	0.7
147.11697	0.8
149.09659	0.3
149.13237	0.4
151.11115	0.3
159.11690	0.4
161.13242	0.8
165.12700	0.5
167.14348	0.6
179.14308	100.0
179.97978	0.2
180.14664	2.3
189.16202	0.3
193.15857	2.7
205.15924	0.2
219.13329	0.3
250.24138	0.3
275.20035	0.3
289.25281	0.4
293.21155	0.3
331.26346	2.3
349.27365	99.9
350.27722	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	349.2373
Annotation	Topsentolide C1
Peak:m/z	Relative Intensity
53.03928	4.6
54.97675	2.8
55.01866	11.4
55.05509	46.8
56.96546	4.4
57.03442	15.0
57.07069	3.3
60.35220	2.9
62.65175	3.5
65.69998	2.4
67.05507	51.0
69.03410	6.6
69.07068	23.4
69.89547	10.8
69.89960	6.9
71.04991	6.8
79.05495	100.0
81.03406	4.9
81.06588	4.6
81.07058	47.9
83.04981	23.9
83.08623	14.4
85.06532	4.9
91.05477	44.9
93.07043	69.3
95.04438	2.5
95.04970	16.8
95.08609	30.2
97.06519	6.8
97.10149	14.7
97.37057	3.0
99.08077	3.9
105.07018	38.5
107.04951	25.1
107.08592	57.1
109.06496	11.8
109.10165	25.2
111.08105	6.2
117.07050	14.8
119.08614	22.5
121.06489	5.6
121.10167	25.7
123.08085	16.7
123.11716	5.6
125.09629	17.4
131.08569	15.6
133.10139	24.6
135.08014	9.9
135.11673	11.2
137.09602	4.3
145.10136	16.1
147.04381	8.4
147.11700	19.2
149.09625	50.7
151.11142	3.3
153.09105	4.4
157.10214	4.1
159.11700	9.1
161.13287	4.6
163.11250	4.2
163.14810	4.0
165.09128	3.0
169.12215	3.6
171.11848	7.7
173.11774	3.9
173.13246	8.4
179.14293	30.9
189.11211	7.5
191.14250	4.6
197.13199	3.3
209.15335	4.6
226.83868	2.9
229.19456	5.2
239.18001	2.8
247.20569	3.3
257.18942	10.1
275.17194	5.2
275.20078	52.4
293.21069	3.8
344.94250	3.3
349.23660	75.8
349.27426	32.9
349.33975	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2371
Annotation	Topsentolide C1
Peak:m/z	Relative Intensity
51.73481	0.9
53.03929	2.3
53.87262	0.8
55.01852	3.6
55.05263	1.0
55.05510	14.3
56.96564	1.6
57.03154	1.4
57.03433	26.6
57.07063	1.9
65.00658	0.8
65.03927	1.6
67.05503	31.2
69.03415	2.0
69.07064	15.3
71.04977	3.6
71.59525	1.9
75.04403	0.9
79.05488	38.0
80.05808	2.0
81.03416	1.6
81.07052	38.6
82.07393	1.1
83.04963	3.1
83.08605	8.6
85.02924	1.1
85.06541	7.0
87.04440	1.2
89.03912	1.5
91.05476	50.2
92.05799	2.0
93.07037	46.2
94.07399	1.2
95.04960	7.8
95.08600	28.1
95.54713	1.0
96.05286	1.0
97.02862	1.4
97.06525	7.0
97.10160	3.2
99.04436	1.8
99.08071	3.3
103.05439	2.0
105.04462	1.1
105.07026	53.2
106.07320	1.2
107.04953	2.3
107.08589	28.2
109.06513	10.1
109.10146	13.6
111.08076	2.7
113.06010	1.4
115.05436	1.9
117.07014	23.6
119.04949	5.7
119.08578	50.3
120.08865	1.3
121.06519	2.5
121.10129	13.5
123.08053	4.3
123.11691	5.3
125.09599	2.9
127.07569	1.2
128.06207	2.7
129.05481	1.9
129.07016	10.9
130.07791	1.6
131.08556	26.7
132.08849	1.5
132.10201	2.2
133.06540	1.6
133.10115	25.0
135.04402	6.5
135.08070	3.9
135.11714	6.1
137.09618	2.1
141.06970	4.0
143.08549	11.7
144.09280	1.3
145.02798	4.6
145.10115	42.4
146.10432	1.5
147.03232	1.1
147.04399	21.2
147.08067	2.0
147.11676	21.7
147.44632	1.1
148.12015	1.2
149.09607	7.1
149.13258	2.5
151.11208	6.3
153.12743	2.0
155.08554	3.9
157.08803	1.2
157.10127	17.6
158.10785	1.0
159.11678	44.8
160.12015	1.4
161.09622	3.0
161.13243	12.9
163.02539	1.5
163.03905	28.7
163.11189	3.8
164.04231	2.3
165.12773	1.0
168.09346	1.9
169.10143	7.0
171.11664	8.0
173.09615	1.1
173.13240	13.0
175.11171	4.0
175.14757	5.8
176.04352	0.9
177.12740	2.4
181.04877	1.3
183.11624	7.3
185.13255	23.3
187.11198	1.9
187.14761	1.9
189.12732	1.2
191.14290	2.6
197.13243	5.9
201.12787	2.0
201.16382	2.5
203.14333	10.1
211.14795	2.1
213.16493	1.7
215.17966	2.1
217.15842	1.3
219.17441	12.6
221.15414	2.0
229.19440	5.5
239.17928	20.8
240.69557	1.2
257.19000	43.2
258.19257	3.5
258.24219	2.8
259.20517	1.4
275.20050	34.0
276.20386	1.8
277.17911	3.7
285.10056	2.9
308.11594	1.2
331.22604	7.6
349.16470	8.1
349.23700	100.0
350.23984	6.8
350.28827	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	349.2347
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	3.0
57.03427	0.8
57.07061	2.7
65.86397	0.7
67.05498	4.4
68.74973	0.7
69.07066	6.7
69.98905	4.2
71.08627	1.8
79.05474	3.3
81.07043	6.7
83.08602	2.0
85.06542	1.0
91.05457	1.4
93.07053	3.6
95.04941	1.7
95.08608	6.1
98.20742	1.4
105.07021	2.3
107.08598	4.0
107.09313	0.8
108.24489	0.8
109.06518	14.4
109.10142	2.6
111.08075	1.8
119.08543	3.0
121.10136	2.4
122.07299	1.5
123.08060	41.6
123.11754	0.9
133.10168	1.6
135.08052	3.7
135.11676	1.6
137.09581	2.0
143.78499	0.8
145.10155	1.0
147.11662	2.4
149.13324	0.8
157.10248	0.7
159.11665	1.2
161.13321	1.2
179.14304	64.1
180.14630	2.0
193.15891	1.4
195.09991	3.7
195.46092	0.7
233.18959	0.8
244.96709	0.8
249.71738	0.7
275.19992	1.3
292.55780	0.9
293.21048	6.8
305.81863	1.0
331.26263	3.9
349.23404	45.4
349.27368	100.0
350.23755	3.5
350.27707	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	349.2371
Annotation	Topsentolide C1
Peak:m/z	Relative Intensity
53.03940	2.6
54.59181	0.8
55.01860	3.6
55.05266	1.0
55.05510	14.9
56.96553	1.8
57.03439	36.9
60.23700	0.8
65.03931	2.7
67.05505	29.1
69.03408	1.5
69.07069	15.0
71.04978	3.8
71.14552	1.6
71.14867	1.0
75.04488	1.2
77.03865	1.2
79.05493	38.2
81.03403	1.1
81.06577	1.8
81.07058	36.1
82.07374	1.9
83.04956	3.2
83.08615	7.9
85.06539	5.8
86.43643	0.9
91.05481	59.1
92.05792	1.2
93.07043	48.8
94.07381	1.1
95.04972	8.0
95.08607	29.5
96.08980	1.6
97.06531	5.6
97.10154	2.3
99.08088	2.8
103.05458	2.7
105.07028	64.2
106.07335	1.1
107.04958	3.3
107.08595	28.2
107.68662	1.0
108.00896	0.9
109.06504	9.4
109.10169	10.4
110.06870	2.3
111.08070	2.5
115.05444	2.8
116.06125	1.1
117.07018	27.3
119.04908	4.7
119.08578	52.9
121.06521	3.8
121.10131	17.1
122.10536	1.6
123.08076	5.2
123.11697	2.1
125.09651	2.8
128.06233	2.7
129.07004	12.5
130.07785	2.0
131.08571	32.7
133.06517	1.4
133.10130	28.2
135.08058	3.5
135.11691	8.9
137.09596	2.5
139.11201	1.3
141.06989	2.6
142.07735	2.6
143.08543	12.7
145.10123	41.2
146.10503	1.6
147.04413	21.5
147.08009	1.5
147.11690	21.6
148.04733	2.5
149.09631	8.5
149.13205	2.2
151.11183	1.5
155.08540	5.5
157.10123	15.6
159.11694	49.5
160.12094	1.2
161.09639	3.4
161.13258	15.1
163.03937	4.6
163.11180	4.3
164.04277	2.0
165.12691	1.5
167.10658	2.9
168.09450	1.1
168.11021	2.0
169.10095	6.0
171.11711	7.5
173.13260	17.9
175.11177	3.8
175.14780	4.7
177.12793	1.7
179.14336	1.2
183.11700	9.2
185.11623	1.4
185.13255	24.6
187.11140	1.9
187.14827	3.1
189.12766	1.3
191.14227	1.3
197.13286	6.0
199.14767	1.2
201.12689	1.2
201.16417	4.2
203.14302	13.0
211.14833	1.7
213.16371	1.8
215.17963	1.7
219.14093	1.2
219.17430	14.2
221.15340	3.2
229.15981	1.5
229.19456	5.2
233.15288	1.5
239.17953	20.2
255.15869	1.0
257.19009	39.7
258.19485	1.5
275.20068	35.8
276.20526	1.2
277.17957	2.9
309.85309	1.2
331.22614	7.5
332.15942	1.1
340.15353	1.1
349.23730	100.0
350.24170	4.7
359.48691	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1856
Annotation	Schizonepetoside E
Peak:m/z	Relative Intensity
50.71728	1.4
51.39149	1.4
53.03933	3.8
55.05510	4.9
56.98899	1.2
57.03429	3.4
57.07067	3.7
59.04984	3.1
61.02915	4.0
65.08311	1.5
67.02457	1.2
67.05507	6.4
69.03425	10.8
69.07062	17.1
70.74596	3.9
70.74956	2.1
71.04988	18.0
73.02909	2.4
79.05486	8.6
81.03413	5.9
81.07057	66.0
82.07379	2.2
83.04957	3.8
83.08605	3.0
85.02904	39.1
87.04456	1.5
89.05991	1.9
91.03946	2.0
93.07040	5.7
95.04967	2.8
95.08595	6.0
97.02879	12.6
97.06517	3.9
99.04457	3.7
99.08088	7.9
100.11233	3.5
105.07026	2.5
107.08575	10.9
109.02886	3.2
109.10152	37.8
110.10509	2.5
111.04467	1.4
111.08044	1.7
111.11704	7.8
121.10152	2.1
123.10806	2.6
123.11703	40.8
124.12009	2.4
127.03912	9.9
127.11087	1.4
131.08609	1.6
133.10136	3.1
133.91110	1.7
135.11729	9.6
139.11182	18.7
141.11557	1.5
141.12665	2.1
145.04941	8.0
147.04399	4.7
149.86206	1.4
151.11177	19.3
152.11482	3.0
153.12746	27.6
157.12233	21.0
169.12241	100.0
170.12553	5.3
187.06067	1.9
187.13293	38.4
188.13472	1.9
210.14906	2.6
276.72821	1.7
338.84927	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.235
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	1.7
57.07065	2.1
67.05494	3.4
69.07063	2.8
71.08627	1.5
71.58424	0.9
79.05475	1.7
81.07058	7.0
83.08606	1.6
85.06525	1.2
91.05469	1.6
93.07026	2.7
95.08609	4.6
97.06531	0.7
99.08100	0.9
105.07020	1.4
107.08597	3.0
109.05795	0.7
109.06522	10.5
109.10131	2.2
119.08585	1.1
121.10136	1.6
122.07332	0.8
123.08067	22.8
123.11676	0.6
133.10133	1.4
135.08040	2.8
135.11725	1.1
137.09619	1.6
137.13208	0.7
145.10100	0.8
147.04402	0.5
149.09624	0.7
159.11783	1.0
175.14728	0.6
179.14311	47.7
180.14624	1.4
186.99306	0.6
193.15817	1.2
195.09924	4.4
233.18837	0.6
267.93298	0.5
293.21204	4.7
331.26151	1.6
349.23431	100.0
349.27405	67.3
350.23749	6.5
350.27771	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	349.1855
Annotation	Schizonepetoside E
Peak:m/z	Relative Intensity
53.03940	2.6
55.01871	2.7
55.05501	3.8
57.03432	2.9
59.04703	1.6
59.04998	27.2
64.04372	1.4
67.05498	6.7
67.99294	1.1
69.03421	6.5
69.07049	1.7
71.04979	8.4
71.13197	1.5
71.13544	3.1
79.05482	10.3
81.03420	1.9
81.07053	48.8
83.04987	1.8
83.08614	4.1
85.02895	12.7
87.04462	13.2
89.06011	1.6
91.05472	15.1
93.07038	74.3
94.07392	1.7
95.04969	5.1
95.08590	5.4
97.02885	2.4
99.04449	1.5
100.11243	5.8
103.89776	1.2
105.07025	24.2
107.08587	11.2
109.02886	2.4
109.06506	4.8
109.10153	11.2
111.08077	40.3
121.10117	12.9
123.08064	3.0
123.11697	20.9
126.09151	1.8
127.03893	3.0
127.51579	1.2
130.84618	1.5
131.08551	1.3
133.10124	23.1
134.10384	1.3
139.11234	2.4
140.29068	1.2
151.09955	2.2
151.11172	37.8
152.11470	1.7
169.09811	3.6
169.12231	100.0
170.12529	2.3
177.91199	1.3
182.15366	1.6
187.05971	2.1
187.13274	23.5
210.14818	1.8
225.32008	1.2
276.72736	4.3
313.30356	1.4
356.45392	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1859
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.6
53.67448	1.7
55.01857	4.3
55.05497	4.4
56.96567	11.1
57.03423	9.3
57.07074	2.1
59.04994	3.4
59.43221	1.9
61.02930	11.3
67.05495	6.9
69.03077	2.6
69.03426	29.9
69.07079	10.3
69.30843	4.9
69.31242	22.6
70.06581	2.9
71.04996	33.1
73.02908	8.2
73.06522	2.2
79.05490	9.6
79.33319	1.7
79.47342	1.9
81.03441	11.6
81.07060	59.6
83.04961	7.0
83.08640	2.3
84.04501	2.6
84.08118	3.6
84.96059	3.2
85.02905	91.5
85.06564	3.8
85.07664	11.9
86.03271	2.1
86.09679	4.3
87.04462	4.6
91.03944	4.2
91.05470	16.1
92.05814	10.4
93.07056	7.3
95.04978	5.9
95.08615	6.1
97.02899	28.0
97.06538	3.6
98.97598	15.5
99.04456	7.2
99.08067	3.3
105.07055	2.7
105.97059	2.2
107.04929	19.2
107.08591	18.5
109.02870	10.8
109.06508	5.9
109.10153	23.4
111.04427	2.2
111.08090	5.2
111.11710	4.7
112.07594	2.0
113.05863	2.4
116.98600	12.8
119.01855	2.5
119.04951	18.1
120.05264	17.3
121.01599	1.9
121.06550	3.2
121.10159	4.4
123.04392	3.7
123.11710	35.5
124.04753	2.9
127.03909	20.4
128.98619	6.3
130.08559	2.6
133.06516	2.3
133.10143	5.3
134.99635	8.4
135.04446	2.6
136.06149	4.5
137.05994	8.8
139.11179	12.6
141.12703	2.8
143.01904	2.4
145.01662	4.8
145.04980	14.7
146.99678	5.6
147.04393	4.7
149.01183	3.2
151.07571	16.9
151.09976	2.3
151.11174	45.1
152.07878	24.8
153.05426	2.9
153.12697	2.1
157.12245	13.7
158.99680	4.5
161.01173	3.8
163.02704	9.7
163.03923	13.1
164.04213	3.5
165.00691	3.3
169.04922	3.6
169.12241	100.0
177.00719	7.1
187.13281	39.3
189.00737	4.6
189.04364	2.2
205.03812	5.4
219.01817	10.2
221.05183	2.3
234.98950	2.3
237.02771	18.5
253.06577	2.5
255.03770	3.3
274.20493	2.3
295.07632	2.2
303.07635	4.7
321.08478	7.6
337.05795	3.2
340.11105	2.9
349.08188	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	349.1855
Annotation	Schizonepetoside E
Peak:m/z	Relative Intensity
50.35839	1.5
55.05497	3.1
57.07069	3.9
59.04983	2.3
63.68166	1.7
67.05511	9.1
69.03418	6.2
69.07068	3.3
69.64954	11.2
70.06583	6.6
71.04977	4.4
77.17271	1.8
79.05457	1.8
81.03417	2.2
81.07066	9.6
83.04982	100.0
84.52541	1.5
84.94158	1.6
85.02911	15.6
86.00703	1.5
86.09704	5.7
87.08093	3.9
91.05493	2.4
93.07040	6.0
95.04978	2.4
97.02883	3.8
105.07072	2.5
107.08575	14.3
109.02898	3.0
109.10153	42.4
123.08052	2.3
123.11722	7.9
127.03911	3.9
133.10136	4.5
151.11183	18.0
153.12752	1.9
169.12248	52.5
187.06032	2.3
187.13303	50.7
188.13672	1.8
192.10205	3.0
346.72830	1.8
349.12555	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	349.1855
Annotation	Schizonepetoside E
Peak:m/z	Relative Intensity
53.03933	3.9
55.01863	4.3
55.05496	6.1
57.03430	8.6
57.07056	2.7
59.04990	14.8
61.02919	6.7
67.05494	9.5
69.03428	23.0
69.07065	10.6
70.06595	4.1
71.04987	28.6
71.58699	3.5
73.02893	3.5
79.05490	9.6
81.03424	13.5
81.06575	3.3
81.07053	60.2
83.04970	6.3
85.02900	61.2
86.09686	3.9
91.03969	3.1
91.05463	8.6
93.07033	17.2
95.01310	3.8
95.04951	5.4
95.08601	6.4
97.02896	13.4
97.06510	5.8
99.04426	13.5
99.08084	5.8
105.07005	9.3
107.08591	49.5
109.02870	7.2
109.06501	10.1
109.10149	35.6
110.10449	3.7
111.08070	7.2
111.11697	3.5
113.02316	2.4
119.04903	2.1
119.37150	1.7
121.10136	3.6
123.08067	2.7
123.10815	4.3
123.11696	60.9
124.12011	2.4
125.09634	2.7
127.03902	24.4
127.11211	4.1
131.08632	2.3
133.10121	23.1
135.07962	2.4
135.11691	2.2
137.06038	1.9
139.11208	11.5
141.12712	3.0
145.04935	8.3
147.04381	11.8
147.11844	2.5
151.11172	68.3
152.11540	6.1
157.12227	8.8
159.04361	2.5
165.05493	2.0
167.10759	2.3
169.12230	100.0
170.12601	3.6
173.04520	2.8
182.50636	1.9
187.06023	12.6
187.13283	30.4
203.15068	2.0
204.08701	2.2
210.87350	2.0
217.12225	2.1
245.08109	2.7
263.30267	2.1
273.06738	1.8
349.08960	5.9
349.14700	3.0
349.18283	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	349.1644
Annotation	Praealtin D
Peak:m/z	Relative Intensity
55.05499	2.4
56.96568	1.5
57.03423	1.4
57.07061	0.7
59.10822	0.7
63.12762	0.6
67.05505	5.6
69.03409	1.4
69.07058	2.7
79.05489	7.0
79.71729	0.6
81.03393	0.7
81.07047	8.0
83.04971	1.0
83.08612	1.5
85.02888	0.9
89.03906	5.8
91.05475	7.4
93.07035	5.8
95.04944	1.7
95.08585	4.2
97.06512	2.1
97.10152	0.8
105.07025	12.4
107.04929	2.5
107.08582	11.0
109.06527	1.5
109.10149	34.2
117.03380	8.4
117.07003	1.6
119.04930	4.5
119.08569	3.3
121.10112	2.2
123.11702	2.8
125.09649	1.1
131.08539	2.3
133.10127	15.4
133.11711	0.7
135.03375	1.4
135.04405	19.3
135.11736	1.1
145.02834	12.1
145.10085	3.3
147.04396	17.2
147.05515	1.3
147.11627	1.5
148.04733	1.2
149.09579	1.0
151.11153	8.7
157.10115	1.4
159.11678	2.1
161.13234	1.1
163.03893	100.0
164.04260	1.3
165.05405	0.9
167.10587	0.9
171.11723	1.0
173.13202	1.1
181.04947	6.3
185.13222	0.8
196.27438	0.6
239.17888	1.5
257.18936	1.6
267.08972	0.9
275.19998	3.8
285.10104	1.1
317.15070	0.6
317.50452	0.7
331.15485	0.7
333.25546	0.6
349.16357	1.7
349.23611	5.7
349.27231	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1646
Annotation	Scabrolide D
Peak:m/z	Relative Intensity
50.94544	0.3
53.03933	0.4
55.01874	0.4
55.05510	4.5
56.96559	0.4
57.03431	1.1
57.07052	0.3
59.05014	1.6
65.03934	0.7
67.05510	2.0
68.54893	0.3
69.03429	3.2
69.07063	1.4
71.04984	0.6
71.43766	0.6
73.91578	0.3
79.05494	2.8
81.07057	6.6
83.04996	5.0
85.06561	0.6
91.05475	8.1
93.07059	2.5
95.04971	2.5
95.08605	2.6
95.65522	0.4
97.06530	1.1
97.10170	0.8
98.98435	0.3
103.05503	0.3
105.07040	2.2
107.08593	3.8
109.06529	1.6
109.10153	0.9
119.04946	19.5
119.08573	0.8
121.06534	1.0
121.10124	2.7
123.08068	4.0
123.11697	1.2
125.05994	0.4
125.09618	1.8
131.08551	1.0
133.10144	0.7
135.11723	0.5
136.08853	1.9
137.09592	2.9
139.11179	1.1
141.09059	0.7
145.10081	0.4
147.04407	100.0
147.37582	0.3
148.04745	1.4
149.09628	2.4
149.13264	0.4
151.11185	0.3
159.11697	0.4
163.03900	1.3
165.05487	3.9
167.10678	13.2
179.14360	0.7
185.11684	0.4
195.13678	0.3
196.17618	0.4
219.17455	1.4
249.83009	0.3
275.20114	0.8
331.15524	1.7
332.16153	0.3
349.16339	0.4
349.19962	1.6
349.23798	1.1
349.27472	0.6
349.31445	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1645
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.6
55.05507	7.2
56.96566	3.8
57.03433	9.1
59.04981	2.7
59.14906	1.9
60.04512	2.3
67.05506	25.2
69.03459	2.5
69.07076	10.3
70.15345	11.4
71.04984	3.4
79.05500	27.3
81.07059	37.2
83.04981	2.8
83.08614	6.2
89.03928	4.8
91.05485	29.1
93.07057	20.0
95.04958	5.0
95.08594	14.1
97.02881	3.1
97.06548	3.5
98.20679	2.3
98.97569	2.1
103.36082	2.3
105.07033	37.7
107.04953	7.0
107.08596	24.5
109.06528	5.4
109.10156	40.8
110.10441	2.5
117.03390	7.0
117.07019	8.8
119.02029	2.4
119.04967	5.8
119.08619	12.9
121.06488	4.7
121.10130	7.0
121.92728	2.1
123.08105	4.1
123.11729	17.4
125.09619	2.6
129.06985	5.0
131.08563	15.0
133.10132	35.9
135.04408	19.7
135.08034	3.4
135.11693	4.9
137.09648	2.9
143.08553	4.8
145.02852	10.6
145.10123	16.8
147.04402	24.4
147.11710	8.5
148.04741	5.8
149.09645	5.5
149.13248	2.7
151.11171	13.6
155.10699	2.4
157.10149	2.7
159.11691	12.0
161.13197	4.2
163.03902	100.0
163.11159	4.2
164.04326	3.1
165.73242	2.2
167.10757	3.3
171.11682	3.4
173.11751	4.2
173.13245	6.8
174.12117	6.1
175.11151	2.8
179.14235	3.6
181.04962	14.8
211.14766	2.0
219.17500	4.8
239.18024	5.2
257.19003	16.1
267.09073	3.6
268.13315	2.4
275.20096	18.2
278.21979	6.2
285.10211	2.9
296.23123	3.4
331.22501	4.4
349.19839	14.0
349.23773	37.3
349.27417	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	349.1645
Annotation	Scabrolide D
Peak:m/z	Relative Intensity
53.03928	2.2
55.01842	1.8
55.05510	8.2
55.71472	1.4
56.96556	2.8
57.03421	6.4
59.12103	1.5
60.04510	1.9
67.05167	2.0
67.05502	25.2
69.03429	1.6
69.07064	10.7
69.77757	4.2
69.78186	5.9
71.04972	2.5
79.05492	19.5
79.12933	1.4
79.84982	1.6
80.69660	1.5
81.03414	3.2
81.07061	27.0
83.04992	1.8
83.08614	5.5
85.06528	1.9
89.03899	7.1
91.05478	22.3
93.07044	16.6
95.04954	5.1
95.08602	14.9
97.06533	4.5
97.10139	2.2
98.21435	2.7
105.06293	1.7
105.07027	34.9
106.07338	1.9
107.04959	5.4
107.08591	18.8
108.08935	1.8
109.06484	4.7
109.10155	35.2
110.10518	2.3
111.08092	2.0
117.03386	8.0
117.07013	6.5
118.07829	1.5
119.04929	4.4
119.08568	12.8
121.10155	8.1
123.08050	2.5
123.11701	28.8
125.09639	2.8
129.06999	2.8
131.08578	10.3
133.10127	32.6
135.04410	20.9
135.08003	2.1
135.11658	3.2
143.08617	2.8
145.02843	12.8
145.10126	15.4
147.04404	18.2
147.11668	7.3
148.04756	6.6
149.09613	4.7
149.13278	2.8
151.07588	1.9
151.11153	5.9
155.08592	1.5
157.10114	5.0
159.11682	14.4
161.13246	2.9
163.03900	100.0
163.11143	2.5
164.04222	4.5
169.10130	2.3
171.11687	3.3
173.11739	6.7
173.13271	4.7
174.12070	4.6
175.14735	2.5
177.12759	2.9
179.14339	3.1
181.04950	16.0
185.13254	1.5
192.15765	1.4
197.13258	1.9
216.08484	1.5
219.17360	2.2
239.17970	4.0
257.19031	12.2
275.20114	11.9
278.21985	2.4
285.10397	2.6
289.09210	1.4
349.16238	2.0
349.19888	6.7
349.23727	32.7
349.27560	4.5
369.30331	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.2744
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	1.1
53.03934	1.4
55.01864	2.8
55.05508	19.5
57.03432	6.9
57.07069	2.8
59.04985	3.4
60.04477	1.0
61.50826	1.1
64.97050	1.3
65.03929	1.9
67.05501	63.4
69.03413	3.2
69.07064	14.0
69.77996	8.1
70.09174	1.0
71.04973	5.0
71.08613	8.3
71.76735	1.0
79.05491	15.9
81.03403	1.9
81.07050	44.3
81.65436	1.1
83.04960	4.2
83.08612	18.1
85.02898	2.2
85.06537	3.6
91.05475	20.8
93.07039	20.6
95.04954	4.7
95.08593	18.0
96.08992	1.3
97.02894	1.6
97.06521	7.1
97.10168	12.8
98.21398	1.7
99.08091	8.5
102.57636	1.1
105.07019	11.3
107.08585	16.8
109.06493	3.6
109.10149	56.3
111.08060	5.2
117.07009	3.1
119.04099	1.6
119.04937	21.4
119.08595	9.2
121.06502	1.8
121.10122	10.5
122.10503	1.1
123.08011	3.1
123.11679	4.7
125.09620	10.6
131.08553	5.3
133.10123	11.8
135.04405	5.4
135.08063	2.4
135.11652	7.0
136.04716	2.0
136.06181	1.5
137.05936	1.3
137.09592	4.3
139.11127	2.2
141.12704	1.6
143.08548	1.4
145.02759	5.6
145.10110	3.7
146.03195	1.3
147.04398	100.0
147.11667	3.9
148.04732	5.3
149.09599	5.3
149.13271	11.1
150.09946	3.0
151.11223	9.3
153.09122	1.4
153.99911	1.1
155.10652	12.4
156.10962	1.2
159.11650	5.4
161.13219	3.6
162.73184	1.1
163.03899	37.9
163.11154	2.7
164.04227	13.3
165.12752	2.3
167.10605	6.0
167.14349	1.3
168.10936	2.6
169.12216	2.2
173.11726	94.3
174.12030	2.6
177.12711	3.3
179.14304	2.7
189.11215	16.5
190.14394	1.6
193.12190	2.0
195.13808	24.8
199.14671	1.3
213.14807	17.8
221.15543	1.4
242.24081	1.2
259.20532	4.2
269.10382	1.9
273.15009	1.2
275.20108	2.4
277.21613	30.3
278.22113	1.5
285.10046	1.6
295.22687	17.0
303.48557	1.1
348.15033	7.2
349.15442	1.8
349.23737	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	349.1409
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55923	0.6
53.03941	1.6
55.01861	2.1
55.05507	6.8
56.96562	1.6
57.03421	3.4
57.07052	1.7
59.05003	0.8
62.37325	0.7
65.03933	0.8
67.05502	25.6
68.05837	1.0
69.03410	1.0
69.07063	4.7
70.26389	3.5
71.04966	1.0
79.05488	15.9
81.03412	1.6
81.07056	16.5
83.04986	4.8
83.08608	2.4
87.08106	1.3
91.05476	10.1
93.06468	1.3
93.07043	21.5
94.07371	0.8
95.04949	2.6
95.08594	6.6
95.18411	0.7
95.96231	0.9
97.06503	2.4
97.10178	1.2
98.21478	0.9
105.07021	10.5
107.04938	4.5
107.08587	15.8
109.06512	4.9
109.10152	13.3
110.10471	1.2
111.08099	1.0
111.11653	0.9
117.06985	4.4
119.04912	3.8
119.08572	10.7
120.05314	1.0
121.06491	1.5
121.10127	11.5
123.08054	2.7
125.09608	1.2
125.74171	0.9
127.07545	1.4
130.07806	0.7
131.08539	3.1
133.06490	1.1
133.10133	5.1
135.08029	1.9
135.11674	6.0
137.09615	0.9
143.08540	1.2
145.10121	15.2
147.04410	15.0
147.11674	3.6
148.04677	1.4
149.09631	6.5
153.12726	7.1
154.13229	1.1
157.10233	0.7
159.11694	2.7
161.13210	1.3
163.03908	2.2
163.11180	34.1
164.04179	0.8
169.12183	1.1
173.13297	1.2
177.12801	0.9
179.14297	3.8
185.09373	49.1
186.09702	1.1
187.03680	3.7
187.11087	1.3
209.15254	1.0
223.04495	1.2
224.81165	0.8
226.11958	1.6
229.19463	0.8
239.17941	1.1
241.05586	1.3
257.18967	2.2
275.20044	9.8
295.14792	0.7
305.14987	1.1
349.14087	100.0
349.23654	12.8
349.27457	5.1
350.14444	3.1
351.07080	3.1
352.07349	1.0
357.15240	1.8
369.08234	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.2015
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19983	0.6
56.43093	0.6
57.03417	0.6
57.07068	1.1
60.04509	2.9
61.02905	0.9
62.06084	0.7
67.05507	5.2
69.03419	1.7
69.07059	0.8
69.29095	8.1
71.04981	0.9
73.02911	0.9
79.05475	1.5
81.07051	11.7
85.02901	6.3
91.05489	1.7
93.07035	3.8
95.04954	3.2
95.08602	2.6
97.02889	1.1
97.06532	0.7
97.29615	0.7
99.04435	1.2
105.07024	3.5
107.08587	8.8
109.02877	1.1
109.06528	3.9
109.10153	100.0
110.10505	2.2
120.08118	0.9
123.08100	1.1
123.11698	50.3
124.12016	1.7
127.03909	1.3
133.10107	6.4
145.04942	1.1
151.11179	64.9
152.11531	1.3
163.03853	0.9
169.12238	60.7
170.12560	1.9
210.14957	0.8
243.11308	2.0
271.10995	0.7
290.38443	0.7
294.24191	0.8
302.09482	0.8
303.13400	0.9
312.25345	0.8
330.26468	0.8
331.12936	0.7
331.17679	0.8
348.27444	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	348.2014
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82748	0.3
52.98493	0.2
55.05508	0.8
56.05024	0.5
57.03434	0.4
57.07077	1.8
60.04523	20.8
61.02916	0.4
62.18616	0.3
67.05503	5.0
69.03422	0.9
69.07050	1.1
70.02407	1.5
71.04964	0.7
72.04520	0.4
74.06089	0.5
79.05487	2.4
81.03397	0.7
81.07052	16.6
85.02899	3.0
85.06535	0.4
91.05495	1.3
93.07043	2.1
94.06543	0.8
95.04992	0.4
95.08601	4.6
96.08070	0.3
97.02886	1.1
97.06510	0.4
99.08053	0.3
105.07008	1.2
107.08576	2.1
109.06548	0.3
109.10160	3.2
109.31954	0.2
117.07022	0.4
119.08600	0.6
121.10124	1.4
123.11700	100.0
124.12026	1.7
127.03915	0.7
131.08572	0.8
133.10106	1.1
135.11671	0.9
139.11180	0.5
145.04982	0.5
145.10085	0.4
147.11656	0.4
151.11166	9.8
152.11392	0.3
153.01785	0.5
159.11653	0.3
161.13248	0.3
169.12231	38.3
170.12633	0.7
172.15701	0.3
177.05328	0.3
187.13316	0.7
233.61488	0.3
243.33904	0.3
244.08974	0.3
264.23270	0.3
276.23221	1.0
294.24197	1.5
312.25305	2.3
330.26392	7.8
348.03510	0.4
348.27429	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	348.2741
Annotation	Broussonetine M1
Peak:m/z	Relative Intensity
55.01865	1.0
55.05509	3.3
55.14767	0.8
56.05032	3.9
57.03429	1.1
57.07079	1.8
60.04524	100.0
66.62555	0.7
67.05503	12.8
69.03431	2.5
69.07072	5.0
69.50374	4.7
69.50787	1.5
70.06570	1.1
71.04987	2.7
72.04525	2.1
74.06080	2.8
74.20453	0.8
79.05486	9.6
80.05034	1.5
81.03435	1.1
81.07053	23.5
82.06573	1.5
83.04989	1.1
83.08631	1.3
85.02914	5.1
85.06520	1.2
90.05546	1.2
91.05476	7.5
93.07041	9.9
94.06586	1.7
95.04971	1.8
95.08599	10.4
96.08144	1.7
97.02892	2.1
97.06548	0.9
98.20777	1.8
99.08096	1.8
100.07581	0.9
100.11268	1.1
105.07024	6.9
107.08589	7.2
109.06506	1.1
109.10174	6.7
112.07607	1.2
117.07009	2.5
119.04982	0.9
119.08594	3.5
121.10126	4.5
123.08044	1.0
123.11702	46.3
124.12018	1.5
127.03886	1.1
131.08583	2.1
133.10115	6.7
135.11713	3.4
139.11191	1.7
143.08542	0.9
143.82475	0.9
145.10129	2.5
147.11710	2.0
149.13283	1.0
151.11157	6.7
153.01921	1.8
157.12206	1.2
161.13306	0.9
169.12233	25.6
171.21655	0.6
180.45767	0.7
187.13258	2.2
198.92670	0.7
235.48524	0.7
258.22137	0.8
276.23239	3.3
282.24374	0.8
294.21463	1.1
294.24301	5.5
312.25336	8.2
328.20551	1.0
330.26376	36.3
331.26807	1.5
348.03433	2.2
348.27426	93.0
349.27985	3.5
349.31750	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.2015
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	0.6
57.07053	0.4
61.02910	0.4
66.19349	0.3
67.05492	3.4
68.00199	0.4
69.03419	1.1
69.50171	2.6
70.06575	0.4
71.50497	0.3
79.05481	0.5
81.07043	2.8
85.02902	3.3
89.40951	0.3
91.05472	1.5
91.21487	0.4
93.07035	4.4
95.04969	2.7
95.08595	0.8
97.02910	0.9
99.04409	0.4
100.11243	1.0
105.07026	1.5
107.04960	0.4
107.08588	6.5
109.02885	0.4
109.06524	3.5
109.10151	100.0
110.10477	2.1
123.08087	0.9
123.11707	4.7
127.03936	0.8
133.10110	4.6
145.04970	0.9
146.41296	0.4
151.11176	67.9
152.11485	2.2
153.01727	0.4
163.49994	0.4
168.32277	0.4
169.12238	43.2
170.12582	1.3
182.15373	0.4
210.14868	1.0
276.72891	0.6
351.53824	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.1651
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73306	0.4
54.89369	0.4
62.70482	0.3
69.03422	0.9
70.19067	1.2
70.19494	0.6
72.71504	0.4
79.54923	0.5
85.02892	2.5
91.05480	43.7
92.05827	0.8
97.02882	0.7
98.20819	0.5
105.07022	1.1
106.37900	0.3
107.04960	1.0
119.04940	59.7
120.05261	1.1
121.06511	2.8
127.03891	0.6
136.07582	1.1
145.04942	0.6
151.07539	100.0
152.07841	2.1
180.08688	0.6
230.80022	0.4
298.12897	0.9
313.12784	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.1805
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73022	0.8
55.05494	3.5
56.96560	2.0
57.03421	1.9
57.07064	1.4
61.39180	1.0
65.03911	0.9
67.05495	5.0
69.03421	1.5
69.07068	9.1
70.06576	2.2
71.04984	0.9
71.60436	1.6
79.05492	6.6
80.25014	0.9
81.07056	22.7
83.04997	1.3
85.02940	1.0
88.07621	1.9
89.03903	1.1
91.05473	12.6
93.07035	10.7
95.04953	5.3
95.08582	3.7
97.06532	0.9
102.09171	2.5
105.07047	5.1
107.08600	10.5
109.05795	1.2
109.06513	17.9
109.10127	2.8
111.11697	2.1
119.04937	19.6
119.08555	3.1
121.06499	1.3
121.10148	13.9
123.04454	0.9
123.08064	2.1
123.11683	1.8
125.09622	1.4
125.78013	0.9
131.08534	3.5
133.10104	2.7
135.04396	3.0
135.11662	1.1
139.11174	9.9
145.02869	2.3
145.10103	2.0
147.04408	100.0
148.04727	3.3
149.09607	4.1
151.11105	2.0
157.10104	1.4
159.11696	2.8
163.03909	26.6
164.04259	1.1
165.05446	2.5
167.10674	15.4
169.12224	1.2
173.13266	1.3
177.12849	1.0
179.68594	1.0
181.68948	1.0
185.11742	1.6
239.17876	1.2
243.09325	0.9
256.26285	5.0
257.03345	1.1
257.19125	1.3
271.32648	1.2
275.20020	1.8
286.27408	1.3
290.14941	1.1
331.15485	3.9
348.25745	1.3
348.31091	12.2
349.23700	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	347.2191
Annotation	Cortexolone
Peak:m/z	Relative Intensity
57.07060	0.4
59.04979	0.5
70.22878	1.2
79.05491	0.8
81.07040	0.8
88.07625	0.6
90.11266	0.3
91.05445	0.7
93.07049	0.6
95.04981	0.9
95.36134	0.3
105.07011	1.1
107.08593	1.3
109.06508	0.7
112.67154	0.3
121.06506	0.3
121.10157	0.4
133.10121	2.1
135.04456	0.4
135.08038	1.1
149.02432	0.4
149.09613	0.5
163.03902	2.5
193.04979	1.2
224.65710	0.9
236.74773	0.3
236.98180	0.3
261.14642	3.4
285.29868	1.2
316.22549	0.3
329.13730	4.0
330.14020	0.7
347.21918	100.0
347.33270	3.2
347.77606	0.8
348.21802	3.9
348.25485	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.1648
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.0
55.01873	4.2
57.03431	2.7
61.02943	3.6
66.25385	0.7
69.03127	0.9
69.03432	9.5
69.07067	0.8
69.78934	3.6
69.79340	1.2
70.06584	1.2
70.11920	0.6
71.01332	0.7
71.04971	1.7
73.02891	2.2
78.42744	0.6
79.05501	1.2
81.03401	3.5
81.07064	1.8
83.04964	1.0
84.09286	0.6
85.02905	44.7
86.03246	1.5
87.04459	1.5
88.37699	0.6
91.03961	1.0
91.05476	10.0
93.07024	1.3
95.01319	1.0
95.04955	2.7
97.02900	6.5
99.04453	3.7
103.03950	1.2
103.05464	0.7
105.07041	3.1
107.04949	1.3
107.08588	2.1
109.02872	2.5
109.06440	0.7
109.10136	1.0
111.00806	2.5
113.50259	0.6
117.06979	1.0
119.04939	8.7
121.10126	0.8
122.10532	0.7
123.04441	4.2
123.11708	0.8
125.09627	0.8
127.03913	15.2
131.04927	1.1
133.06508	1.7
136.05246	1.3
136.06187	4.0
137.05916	1.6
139.03870	2.3
139.11179	1.7
140.11519	1.8
145.04968	14.9
145.06253	1.2
145.06480	1.7
147.04352	1.3
151.07538	100.0
151.11172	1.9
152.07903	1.5
154.04948	1.7
159.06462	0.8
160.05211	1.0
161.06004	2.9
162.07622	1.5
163.03862	1.1
163.06024	5.0
165.09111	0.9
166.05016	1.5
167.07048	0.7
167.10689	2.1
168.10992	3.3
169.08604	14.2
169.09927	1.4
169.12300	1.1
175.07558	0.8
178.04953	0.7
178.06276	0.9
180.06609	1.1
180.08669	5.3
187.06038	1.7
189.05519	2.2
189.08998	0.8
190.48363	0.7
191.06975	1.0
193.08582	3.5
196.06047	0.8
205.08611	1.4
208.06071	2.0
209.08122	0.9
217.08572	0.9
217.92828	0.7
219.06577	1.4
221.08104	2.2
227.07014	1.0
235.09718	0.9
245.84042	0.7
249.07544	1.0
259.09479	1.4
277.07083	1.3
277.10751	2.1
292.68771	0.7
293.10089	1.1
302.13004	1.9
303.08591	1.4
321.09619	3.9
329.86002	0.7
331.07977	1.3
348.13660	1.3
349.08945	7.0
349.12259	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96547	2.2
57.03444	3.8
57.03665	0.8
60.20259	0.6
61.02910	2.8
69.03438	4.6
71.04993	1.7
71.60856	1.1
73.02929	4.3
75.30804	0.7
81.03404	1.5
85.02901	11.7
86.09692	1.6
87.04445	1.3
91.05476	47.8
93.07027	0.9
97.02876	5.3
98.97584	4.0
99.04508	0.9
101.00855	0.8
105.07018	1.0
107.04928	1.5
107.74192	0.8
109.02856	1.0
112.99129	2.6
116.98572	2.6
119.01925	2.0
119.04939	66.2
120.05232	1.7
121.06504	4.6
121.64816	0.7
127.03922	4.0
128.98604	1.2
131.00159	4.7
131.01878	1.3
132.10187	0.8
133.03424	1.3
134.99651	1.0
136.06192	10.1
137.05963	1.9
140.10674	1.3
143.01997	1.1
144.98051	0.7
145.04973	2.9
146.99559	1.2
149.01227	3.8
149.17484	0.7
151.07539	100.0
152.07802	1.7
158.99644	1.6
161.01204	0.9
161.05530	1.0
163.03880	6.5
164.04341	1.8
173.03107	0.8
175.02785	1.0
177.00717	1.0
178.04982	2.0
186.04724	1.7
186.11279	2.4
187.04532	1.7
189.00740	1.4
191.03882	1.5
193.03815	1.1
203.04002	1.2
215.00443	1.3
219.01758	1.5
219.07133	1.6
223.04846	1.0
235.02919	0.9
237.02716	1.4
242.06236	2.5
245.05025	0.9
247.02878	1.3
251.07217	1.0
252.07150	0.9
258.06589	1.3
258.09070	0.8
259.06720	1.5
260.07288	1.1
267.07166	1.2
278.53088	0.7
293.05280	0.8
298.12628	1.1
313.12854	1.3
348.06989	1.2
348.11328	2.4
349.08359	1.1
373.07983	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1701
Annotation	Decapetaloside
Peak:m/z	Relative Intensity
53.03929	5.7
54.11333	1.6
54.75929	1.5
55.01862	6.2
57.03428	9.0
57.07060	1.6
59.04996	4.1
61.02925	8.6
67.05492	4.1
67.41179	1.4
69.03430	33.5
69.07060	10.0
70.06572	1.7
70.19373	4.1
70.19769	3.6
71.04993	10.7
73.02909	6.0
79.05499	9.8
79.07114	1.5
80.06305	1.5
80.84683	1.7
81.03428	12.1
81.07056	25.8
83.04978	9.6
83.49075	1.6
84.08160	2.2
85.02903	100.0
86.09716	3.3
87.04451	7.5
91.03944	4.8
91.05489	10.6
93.07034	12.3
95.04964	7.0
95.08581	6.2
97.02895	32.8
97.06523	11.8
98.20868	1.9
98.97533	2.1
99.04458	5.7
99.08092	3.1
105.07018	6.4
107.04958	3.8
107.08602	31.3
109.02842	8.9
109.06537	10.4
109.10147	14.3
111.04410	2.5
111.08073	2.1
111.11711	3.4
113.05972	1.8
116.98557	1.9
119.04945	2.5
119.08576	2.8
121.06508	3.6
121.10139	17.7
123.04427	10.0
123.08055	6.7
123.11719	9.6
125.05992	5.8
125.09628	17.5
127.03909	19.9
127.07537	3.7
131.08607	2.8
133.10159	2.1
136.06181	4.8
137.09599	5.2
139.03915	6.2
139.11172	30.1
145.04947	27.4
146.99611	1.6
147.04390	3.8
149.09618	8.9
151.03922	4.4
151.06419	3.2
151.07549	28.9
151.11143	2.3
153.05568	2.0
154.05003	2.8
155.10611	1.8
157.12216	2.9
163.03929	4.7
163.06004	3.4
166.04982	5.0
167.06970	2.4
167.10666	78.0
168.10927	2.0
169.08598	3.5
169.12286	9.6
177.05559	3.1
180.08611	2.0
185.07840	8.8
185.11726	14.7
193.08647	1.8
196.06134	2.2
203.05261	6.2
207.02348	1.9
211.02441	2.0
269.13959	2.1
273.11011	2.4
301.12570	42.7
304.96927	1.8
305.87589	1.7
347.13095	77.0
347.17285	4.0
348.13614	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	347.1699
Annotation	Kankanoside A
Peak:m/z	Relative Intensity
53.03939	2.0
55.01867	3.3
55.05502	9.1
57.03429	7.1
57.07074	2.2
59.04999	3.2
61.02916	6.8
67.05505	4.2
69.03424	20.3
69.07069	4.0
70.06590	2.9
71.04996	7.7
71.58547	2.5
72.08159	1.9
73.02905	3.4
75.04479	3.0
75.62796	1.4
79.05494	12.1
81.03393	7.7
81.07050	12.3
83.04964	11.3
83.08604	7.7
85.02901	57.2
86.09727	2.0
87.04469	3.8
87.14851	1.3
91.03960	3.0
91.05480	10.9
92.05848	1.8
92.84969	1.4
93.07033	28.7
95.04967	4.3
95.08600	5.3
97.02895	16.7
97.06538	4.9
98.97615	2.6
99.04452	5.0
100.61181	1.3
105.07005	11.4
105.51113	1.4
107.04950	2.8
107.07858	3.2
107.08587	60.6
108.08884	1.6
109.02866	7.0
109.06512	12.8
109.10163	6.1
109.44614	1.3
111.04424	3.4
111.08101	5.4
115.03940	1.9
116.98650	1.6
119.04883	1.6
119.08574	2.3
119.91615	1.3
121.06490	2.5
121.10137	24.2
123.04436	2.0
123.08069	4.8
123.11669	3.2
124.42809	1.4
125.09630	10.5
127.03909	12.1
129.07022	2.3
131.08556	11.5
133.04977	1.7
133.10014	1.8
135.04439	3.0
135.47659	1.3
136.06335	1.3
137.05966	6.2
139.11162	14.4
145.04982	9.7
147.08086	1.6
149.09610	29.7
151.11177	5.0
161.05907	1.8
163.03873	8.0
167.10667	100.0
169.12270	4.0
185.11700	36.9
187.04446	2.8
251.06937	1.4
275.07956	3.1
280.66388	1.4
329.15948	11.7
347.13065	2.9
347.17029	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	347.1489
Annotation	Taxiresinol
Peak:m/z	Relative Intensity
53.03934	2.6
55.01865	1.9
55.05504	2.5
57.07067	5.0
59.05001	19.4
59.13743	1.1
62.50816	1.1
66.76302	1.0
66.92523	1.1
67.05512	6.3
69.03416	3.6
69.07046	1.9
69.31106	0.9
70.06599	5.6
71.08628	1.7
71.98377	1.2
79.05494	13.6
81.03389	1.4
81.07054	16.4
83.04979	1.8
88.07623	9.6
91.05473	17.1
93.07040	13.7
94.04191	2.1
95.04971	22.4
95.08608	3.8
97.06528	1.6
98.21506	2.4
102.09186	5.2
103.05515	1.4
105.07028	24.9
107.04961	4.6
107.08592	22.9
109.06517	13.3
109.10162	4.6
117.03365	4.4
119.08591	2.9
121.06507	9.2
121.10179	5.9
122.10906	1.2
123.08075	3.0
123.11674	1.2
125.09595	1.2
131.08572	1.9
133.10129	53.0
134.03619	3.3
135.04407	7.9
135.08051	19.0
135.11691	3.9
145.02863	6.6
147.04433	4.2
149.02377	2.1
149.09622	12.8
150.10384	7.7
151.11195	4.2
163.03905	74.3
164.04153	1.5
167.10774	1.2
180.04095	1.9
182.44858	1.0
187.03957	2.4
193.04991	8.2
205.04974	5.7
211.88860	1.1
224.65636	12.8
225.15820	1.6
229.16956	1.1
256.26208	1.4
261.14606	1.3
284.29459	6.7
285.29791	14.4
297.11246	6.4
329.13831	100.0
330.14197	4.0
346.33069	13.8
347.15115	20.0
347.21954	53.9
347.26819	6.0
347.33456	35.0
347.77850	2.5
359.98206	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1697
Annotation	Villoside
Peak:m/z	Relative Intensity
50.49395	2.6
50.87249	2.2
53.03937	5.0
55.01862	3.8
55.05503	4.8
56.96552	4.5
57.03416	9.9
59.04982	4.0
61.02904	11.2
67.05481	7.0
69.03419	25.4
69.07050	6.7
70.06561	6.3
71.04977	10.6
71.30991	2.4
72.08134	2.8
73.02900	9.4
75.04476	4.4
76.49559	2.4
77.28055	2.3
79.05470	13.6
81.03413	11.9
81.07053	34.2
83.01284	2.6
83.04961	8.5
84.08100	3.0
85.02431	4.3
85.02904	69.4
86.09686	4.6
87.04466	4.6
91.03950	4.2
91.05486	13.8
93.07037	18.9
95.04965	8.1
95.08588	9.8
97.02882	19.2
97.06492	8.4
98.97585	3.4
99.04427	8.2
105.07011	8.6
107.04938	8.0
107.08591	72.6
109.02871	5.7
109.06506	20.7
109.10152	12.9
111.04386	3.4
117.72911	2.5
119.04918	3.9
119.08606	4.1
121.06480	9.9
121.10137	28.7
123.04432	29.0
123.08053	6.8
123.11686	32.5
125.06001	5.1
125.09624	20.3
127.03914	17.6
127.07525	10.5
129.10214	4.4
131.04942	4.1
131.08607	3.8
134.99597	3.0
136.06168	5.8
137.02332	3.1
137.05984	7.2
137.09601	5.0
138.05449	5.3
139.03897	19.5
139.11154	19.6
145.04950	19.8
147.04370	9.5
148.03784	3.3
148.04826	4.7
149.02350	4.5
149.05989	3.8
149.09607	19.6
151.03893	10.9
151.07513	8.6
151.11145	4.3
152.07027	2.9
153.05479	4.7
153.06900	3.3
154.04945	17.2
155.03354	6.0
163.03978	11.7
164.07074	3.3
166.04945	12.1
167.10666	100.0
168.06520	5.8
169.12245	14.6
175.07544	2.7
177.05502	2.8
178.04971	5.9
179.07007	2.6
180.06464	7.3
181.06493	5.0
184.07214	3.1
185.11729	21.2
196.06065	5.2
207.02406	3.8
208.06004	7.5
211.02412	7.5
213.74660	2.5
218.04782	2.5
220.99452	3.1
241.08389	2.8
258.08820	7.8
271.06110	3.0
272.10312	9.5
273.11188	4.8
288.08560	4.4
301.12308	6.2
326.06430	2.7
329.09988	3.6
330.09546	5.3
347.12592	12.8
348.10757	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	347.1489
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.7
55.05505	2.3
57.07049	0.5
59.05007	3.3
59.94942	0.4
63.02337	0.4
67.05502	1.7
69.03429	6.0
69.07072	2.3
69.78984	3.1
71.04991	2.5
79.05484	4.1
80.44775	0.4
81.07060	6.1
83.04982	10.2
83.08627	1.1
89.03913	3.2
91.05473	2.8
93.07042	6.6
95.04949	1.0
95.08607	4.9
97.02820	0.4
97.06528	12.9
97.10190	1.1
98.20836	0.8
103.05480	0.7
105.07026	3.6
107.04958	2.1
107.08593	28.1
108.08910	0.4
109.06516	11.2
111.08094	0.6
117.03373	3.6
119.04951	1.2
119.08592	0.5
119.09995	0.5
121.10141	16.7
123.08062	7.8
124.97994	0.5
125.06032	2.4
125.09627	99.6
126.10002	1.6
131.08548	2.5
135.04419	11.1
139.11176	58.5
140.11519	1.3
145.02834	6.9
147.04413	4.3
149.09613	12.8
163.03903	63.7
164.04268	1.7
165.04384	0.6
167.10674	100.0
168.11072	2.2
181.05119	0.6
208.13289	0.9
326.19562	0.5
336.72543	0.5
344.59467	0.5
347.14850	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	347.1487
Annotation	Zexbrevin
Peak:m/z	Relative Intensity
55.01870	0.9
55.05508	1.3
59.04993	3.3
64.77810	0.6
67.05500	1.4
69.03433	5.8
69.07059	2.0
71.04998	2.0
71.58237	1.1
79.05495	4.6
81.07053	7.4
83.04973	8.7
83.08611	0.8
89.03915	2.9
91.05476	3.0
93.07044	6.2
95.04968	1.0
95.08612	7.0
97.06531	14.3
97.10146	0.6
105.07050	3.6
107.04955	2.0
107.08586	28.9
109.06510	9.3
109.10177	0.7
111.11652	0.6
117.03353	4.6
121.10135	18.4
123.08071	7.1
125.05981	2.1
125.09624	100.0
126.09957	1.8
131.08574	2.9
135.03427	0.6
135.04411	9.8
136.04779	0.6
139.11169	63.1
140.11504	1.1
145.02850	8.0
147.04378	3.0
149.09610	12.0
155.96230	0.6
163.03897	60.0
164.04214	1.2
167.10667	95.4
168.10977	2.0
181.05064	0.8
205.08372	0.6
208.13478	0.7
347.14865	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	346.3314
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07077	6.1
58.06591	1.7
67.71864	0.3
69.29688	3.7
70.06590	15.2
71.08637	2.5
72.08128	0.4
84.08162	0.4
85.10159	1.1
86.09684	0.3
88.07629	19.6
90.63339	0.3
98.20761	0.5
102.09177	11.9
109.27819	0.3
117.62731	0.3
123.16756	0.3
132.10191	0.7
137.97379	0.4
146.11731	0.7
147.04465	1.6
150.11232	1.0
155.36508	0.3
163.54138	0.3
164.17776	0.3
191.57970	0.3
209.31235	0.3
237.66632	0.3
240.26785	0.8
284.29474	39.9
285.29803	2.2
328.32056	2.8
346.33148	100.0
347.33463	6.6
354.11575	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1489
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93428	0.3
52.07314	0.2
55.01867	0.3
55.05500	0.3
59.04990	0.8
67.05477	0.3
71.26318	0.3
71.26628	0.3
79.05475	0.9
81.07053	1.2
83.04981	0.3
88.16236	0.2
89.03912	3.5
91.05466	1.0
93.07034	0.7
95.08604	2.7
95.26035	0.3
98.30847	0.2
103.34195	0.2
105.07029	0.4
107.04955	1.6
107.08584	2.1
109.06522	2.3
109.10150	0.4
113.38328	0.3
117.03372	5.8
119.04923	0.8
119.45562	0.2
121.10129	1.6
125.09605	0.5
131.08557	0.6
135.04411	12.7
139.11160	2.0
145.02838	10.2
145.03986	0.6
147.04384	3.7
149.09608	3.2
163.03894	100.0
164.04219	2.0
167.10670	0.8
181.04935	2.7
186.05591	0.5
262.97354	0.3
312.07559	0.2
347.14883	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	346.2585
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	2.8
55.05305	1.8
55.05509	21.2
56.96554	3.2
57.03418	5.9
57.07069	1.8
57.62045	1.7
59.04987	1.9
63.38031	1.9
67.05499	66.3
68.05811	3.0
69.03416	3.3
69.07055	27.7
69.97197	2.0
70.22366	2.8
70.22779	6.9
71.04996	3.0
79.05054	2.5
79.05485	27.7
81.03403	3.9
81.07049	61.5
82.07396	3.6
83.04978	4.3
83.08611	17.3
85.02867	3.2
85.06516	4.5
91.05476	17.1
93.07037	28.3
95.04965	5.9
95.08601	27.4
96.08929	3.2
97.06511	7.5
97.10155	18.9
98.97572	15.7
105.07021	18.6
107.04941	3.7
107.08585	42.7
108.08933	3.0
109.06496	5.4
109.10149	56.8
110.10499	2.9
111.08050	4.5
116.98613	12.8
117.07015	6.1
119.04935	4.0
119.08564	18.5
121.06467	3.1
121.10149	14.0
123.08052	4.3
123.11677	5.3
125.09627	19.1
131.00148	2.0
131.08549	9.7
133.10130	16.6
134.99654	3.9
135.08011	3.9
135.11664	7.1
137.05969	5.2
137.09590	5.1
139.11104	2.7
145.10089	7.1
147.04437	12.1
147.11679	9.4
148.04732	5.8
149.01216	3.9
149.09647	11.7
149.13248	10.3
155.10619	12.2
157.10194	2.8
158.99644	4.8
159.11703	9.4
161.13197	4.6
163.03893	16.4
163.11127	5.3
171.11633	3.1
173.01135	4.9
173.11729	100.0
173.13181	4.9
174.12067	3.4
177.00726	10.0
177.12704	5.4
178.63251	2.2
179.14284	2.7
189.11166	15.5
189.12601	2.1
191.02271	7.8
191.07094	2.0
195.13773	28.7
196.14101	2.1
202.98654	2.9
213.14836	21.2
219.01738	5.8
239.17851	2.9
244.99684	9.6
245.63771	2.1
247.20522	2.5
257.18979	7.2
263.00745	1.9
275.20056	54.4
276.20364	3.6
293.21176	14.2
309.52988	1.9
328.25333	2.3
331.03961	2.8
346.06244	3.0
346.26819	2.5
347.15024	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	346.1859
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.3
55.05517	0.8
57.03416	0.9
58.95758	0.6
60.04303	0.7
60.04527	7.6
61.02911	1.6
67.05489	1.2
69.03426	4.0
69.07053	1.5
70.06588	1.8
70.84210	1.3
70.84581	1.6
72.08156	5.2
79.05486	2.9
81.03408	2.2
81.07078	1.3
84.04504	2.3
85.02898	9.9
85.30808	0.6
86.09708	5.3
87.04492	0.8
88.03992	1.7
91.05482	19.0
93.07032	2.9
95.04975	0.9
95.08592	1.2
97.02882	3.0
98.97607	0.9
102.05534	0.9
103.05497	0.9
104.07082	3.0
105.03385	0.9
105.07027	1.6
107.04956	10.8
107.08606	4.1
109.06475	0.9
112.71986	0.8
115.05421	0.9
116.06255	1.2
117.07008	0.7
119.08603	8.3
121.06542	4.5
121.10136	2.1
122.02742	1.2
124.07552	1.1
125.05905	0.9
125.09629	1.8
127.03907	3.1
129.06941	1.0
131.08565	86.8
132.08878	1.0
137.05969	1.4
145.04938	2.1
149.09616	100.0
150.09941	1.6
153.05470	1.8
163.03868	0.8
164.18703	0.9
166.05000	1.0
166.92879	0.7
167.10721	2.7
173.09599	1.2
184.06042	0.9
184.09700	1.2
185.08109	2.0
185.11708	1.7
187.10756	1.1
190.08549	0.8
195.74625	0.7
197.12912	1.3
215.10416	1.7
215.13896	1.1
243.13733	0.8
328.15747	1.4
328.24811	1.5
346.06226	1.6
346.25876	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	346.0445
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96556	11.3
57.18592	1.1
67.58377	1.0
69.03412	1.5
69.78416	5.9
69.78836	2.3
75.36433	1.1
81.07019	1.6
84.96024	5.3
89.87569	1.2
93.07011	1.4
95.04953	1.3
98.97580	100.0
107.08598	1.1
110.97560	2.5
112.99126	12.2
116.98617	73.4
124.95473	1.3
125.71313	1.0
128.98625	3.6
131.00171	27.7
134.99658	31.1
137.05977	3.8
138.06351	2.2
140.00204	4.4
140.98579	2.0
142.96535	5.9
144.98091	2.8
146.99625	4.3
149.01219	28.5
153.00697	2.7
154.01791	1.4
158.01250	2.3
158.99649	32.9
160.97557	9.5
162.99150	6.1
167.02292	4.4
169.00105	1.1
172.02803	3.2
173.01239	39.5
176.07915	1.6
177.00708	58.3
178.98645	2.8
184.97588	4.3
189.00708	1.6
191.02266	61.6
192.04695	1.1
195.01765	4.9
200.02324	7.1
201.00703	17.1
202.98615	22.1
209.03377	4.0
210.25743	1.2
214.03888	9.3
219.01772	25.6
220.99625	6.9
224.47437	1.3
226.00244	3.8
226.98669	3.1
228.66248	1.2
231.01826	1.8
233.03355	1.9
237.02747	2.1
242.03409	4.2
244.99696	68.4
263.00699	25.5
268.01190	2.2
281.01746	2.4
286.02322	5.3
323.02744	3.5
328.12634	1.5
346.06351	2.6
346.13498	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	345.2636
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	3.9
55.01865	4.9
55.05510	68.0
56.96554	2.0
57.03182	1.9
57.03436	24.1
57.07072	9.9
59.04990	1.4
65.03922	5.2
67.05502	72.8
69.03407	3.3
69.07068	95.1
70.07387	2.2
71.04999	7.5
71.08624	3.6
71.20538	2.7
72.54440	1.3
73.02871	1.8
78.90324	1.2
79.05063	1.7
79.05494	25.4
81.03409	3.2
81.07056	96.4
82.07378	2.6
83.04967	4.7
83.08617	57.0
84.09003	1.6
85.02892	4.1
85.04923	1.4
85.06541	8.7
85.10176	1.8
89.03904	2.9
91.04973	1.9
91.05479	25.0
93.07048	34.0
95.04960	4.7
95.08606	88.7
96.02121	1.9
97.06541	12.7
97.10168	42.6
99.08087	5.2
101.06001	2.3
103.05428	2.1
105.07030	28.2
107.04891	2.5
107.08591	43.2
109.06540	3.7
109.10152	39.8
111.04442	8.7
111.08080	5.6
111.11719	14.3
113.09624	1.5
115.05445	2.0
117.03380	11.1
119.08578	18.3
121.09333	2.2
121.10149	33.9
122.03654	1.8
122.10532	1.8
123.04465	2.5
123.08070	5.9
123.11713	16.7
125.09612	5.4
125.13267	5.0
127.07555	1.4
127.11160	1.8
131.04878	3.0
131.08623	1.7
133.02853	1.5
133.10143	22.7
135.08028	2.0
135.11691	27.2
137.02393	1.6
137.05995	10.2
137.09607	5.5
137.13235	9.6
139.03923	6.1
139.11189	8.2
141.07008	1.7
145.02841	24.1
145.06450	2.8
147.04420	6.3
147.11694	13.3
149.05998	3.4
149.13275	9.4
151.03860	1.7
151.07497	2.1
151.11195	5.5
151.14812	4.4
152.15230	1.5
153.05458	2.2
153.12730	8.4
157.06442	2.6
159.08011	2.9
160.08763	2.2
161.05981	4.6
161.13258	13.5
163.07570	2.7
165.06995	1.9
165.12735	5.3
167.03416	2.2
175.07475	3.7
175.14810	4.7
177.05472	46.3
177.09097	2.2
178.05811	1.4
178.07771	2.1
179.08525	1.8
179.14235	3.8
181.06479	4.7
183.08119	1.7
185.06013	3.0
186.25528	1.5
187.07706	1.9
188.08287	2.7
191.06927	2.6
193.19455	2.8
195.06409	2.5
195.08076	3.5
197.05940	1.8
198.06715	6.1
203.06999	2.0
206.07156	2.3
207.08009	4.0
208.08778	2.5
209.06030	2.9
210.06572	2.1
211.07483	4.9
211.11113	1.6
212.08298	2.0
213.05568	1.7
213.09105	2.6
217.19528	24.6
221.09695	1.8
223.07579	2.8
224.08243	2.9
225.05463	1.7
225.09067	3.8
226.06226	3.2
227.06987	3.8
228.07869	2.3
235.07544	2.0
235.20564	25.1
238.06187	2.3
238.09930	3.4
239.07063	9.0
239.10669	6.0
240.07732	2.6
241.08577	3.4
242.02010	2.3
243.06593	5.2
243.89380	1.5
249.08995	1.9
251.06970	1.7
252.07944	1.8
253.08603	5.0
253.12311	1.8
253.21558	10.9
255.06453	2.3
256.07358	6.1
258.08826	1.9
263.57053	1.6
265.08618	1.6
267.07095	1.8
267.10120	10.4
268.07315	7.4
268.10449	1.9
269.08008	9.6
270.08649	1.9
271.09601	2.3
281.08029	3.2
284.06912	3.1
284.10394	5.8
285.03860	2.6
285.11221	3.4
286.08252	2.1
286.11502	1.5
295.09647	5.6
296.10458	3.2
299.09210	33.3
299.12753	6.1
300.09406	1.6
309.24240	15.3
313.03394	6.2
313.10690	10.6
314.11392	1.5
315.01407	3.9
325.12552	1.9
327.12283	27.4
327.25299	100.0
328.12469	4.5
328.25616	6.0
330.03690	6.4
345.06085	25.1
345.13226	29.1
345.17111	5.4
345.26355	59.1
346.06393	3.9
346.13663	3.0
346.26721	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	345.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
55.95031	0.7
61.40341	0.7
69.81356	4.2
70.41411	0.7
79.05504	1.9
81.07045	1.4
91.05475	3.8
93.07038	1.9
94.04182	1.6
98.97573	0.8
103.05460	9.4
107.04938	0.9
107.08594	1.1
115.05454	1.9
117.07013	3.2
119.04964	1.2
121.06504	2.7
122.03665	3.9
123.08044	2.4
131.04019	1.4
131.04936	16.9
132.44276	0.8
135.04439	1.3
135.08101	0.8
137.05978	42.1
138.06306	0.9
143.08551	1.1
145.06468	1.2
149.09515	1.0
151.07558	13.2
161.05997	1.3
162.06732	1.9
163.03879	5.5
163.07549	37.6
164.07893	1.4
167.07089	1.0
175.07549	3.7
177.09111	100.0
178.09438	1.4
195.10147	7.6
196.35443	0.8
221.11752	6.7
237.02670	1.0
238.89409	0.7
239.30086	0.8
251.05765	0.8
274.45090	0.8
299.12653	2.6
339.07346	1.1
345.05890	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	2.3
56.96552	4.3
57.03415	3.1
58.06597	3.1
69.03421	5.4
69.07047	2.2
70.06600	2.6
70.75071	3.2
71.04995	9.1
72.08150	3.8
73.02918	2.3
79.05487	3.2
81.03411	4.1
81.07057	2.3
83.04979	4.2
85.02892	17.5
86.09698	9.3
87.04427	1.8
87.51630	1.7
91.05470	11.3
93.07014	3.1
94.04176	3.4
95.04981	2.0
97.02881	5.6
98.97585	14.6
103.05470	11.3
104.60352	1.8
105.07038	6.3
107.04948	3.9
107.08545	2.9
109.06549	2.3
116.98600	9.0
117.07047	2.5
119.04913	4.2
119.08575	5.3
121.06480	3.5
122.03638	6.8
123.04399	2.5
123.08128	2.1
127.03958	2.0
131.00133	2.7
131.04958	10.1
133.06477	16.9
134.99651	4.0
135.04417	3.6
135.08047	7.7
137.02385	3.1
137.05971	100.0
138.06277	1.8
145.06499	3.4
146.99678	2.7
147.04404	10.0
147.08047	4.7
149.01225	2.4
151.03891	5.6
151.07553	4.1
153.05515	1.7
157.06416	1.9
158.99677	6.6
161.01308	1.9
161.05966	1.8
163.03889	19.5
163.07542	31.1
165.09113	5.5
166.98430	1.8
167.02177	2.0
173.01212	5.6
175.07507	3.7
177.00717	7.3
177.09081	2.2
183.10132	3.7
191.02281	4.2
191.06964	2.7
192.10277	4.8
193.10509	3.8
198.04916	2.0
203.02235	2.3
219.01747	5.6
225.08995	4.2
235.07634	2.1
237.02843	2.6
239.06810	1.9
242.40999	1.9
244.99715	6.4
252.07658	2.0
253.08467	4.2
264.07443	2.0
265.08194	3.2
266.09140	1.9
268.10379	3.3
270.66656	1.8
285.04144	2.9
285.11142	4.8
287.01910	2.1
295.09766	2.9
295.13107	3.7
296.10034	6.7
303.04980	16.8
304.05069	2.4
313.03406	7.8
313.13043	2.9
315.01349	5.4
325.05719	3.2
327.12012	3.4
328.12674	11.4
328.75067	1.9
330.03635	6.5
334.06308	5.7
339.07629	1.8
345.06024	24.4
345.14838	4.3
345.18732	4.9
345.57202	2.2
346.06598	2.7
357.08295	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	345.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38947	0.6
61.02905	0.6
65.03939	0.6
69.03402	1.1
71.04984	2.9
71.53448	1.4
79.05468	1.4
81.03404	4.3
81.07024	0.9
83.04970	0.9
85.02891	3.6
91.05490	4.2
93.07030	1.3
94.04185	3.2
95.04977	1.3
97.02894	1.2
98.97581	2.9
103.05461	9.3
105.07023	5.2
107.04928	2.0
109.06544	1.3
115.05447	1.0
116.98611	1.6
117.06989	1.1
120.05835	0.8
121.06493	2.9
122.03642	9.1
123.04426	0.7
129.07019	0.7
131.04933	9.9
133.06476	17.1
134.99678	0.7
135.04382	1.2
135.08067	5.5
137.05969	100.0
138.06290	1.6
139.07550	2.3
145.06419	3.4
147.04469	0.8
147.07997	0.8
149.01205	1.1
149.05942	1.0
151.07530	5.3
157.06500	1.8
161.06001	1.1
163.03897	4.4
163.07538	29.6
171.08051	1.5
173.01247	1.1
174.06831	0.9
175.07526	2.0
177.00661	1.8
177.09134	1.9
187.07562	1.1
189.09122	1.7
191.02415	1.4
201.00812	0.8
203.10593	1.0
221.02884	1.5
226.40182	0.6
244.99707	1.6
249.73805	0.7
261.44577	0.6
263.10648	1.0
295.13391	2.8
313.03403	1.0
330.03583	0.7
345.05960	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.1
69.03420	2.9
70.05355	0.8
70.65466	3.2
71.04989	2.3
77.32954	0.8
79.05503	2.7
81.03413	5.7
81.07068	1.7
83.04986	1.9
85.02921	4.3
91.05476	4.0
91.15748	0.8
94.04182	2.4
95.08591	0.9
97.02855	1.0
98.97592	3.7
103.05460	8.9
105.07047	4.8
107.04977	1.6
109.06513	1.2
116.98600	2.1
117.06997	1.3
119.04930	1.4
120.53106	0.9
121.06483	2.3
121.91074	0.8
122.03643	8.7
123.04493	1.3
123.08164	1.1
131.00191	1.4
131.04924	11.2
133.06488	17.6
134.99559	0.9
135.04396	0.9
135.08043	6.9
137.05975	100.0
138.06305	1.2
139.07552	2.5
145.06476	2.1
147.03351	0.8
149.05981	1.8
151.07576	7.1
157.06519	1.6
158.99722	0.9
163.03880	1.4
163.07539	30.1
164.07878	1.0
171.08002	1.0
175.07578	1.8
177.09099	2.0
177.85297	1.0
189.04022	1.2
189.09082	2.3
191.02299	1.1
195.04993	0.9
202.98602	1.4
212.01944	0.9
240.09569	0.8
244.99840	1.2
263.10596	1.2
295.13406	2.8
313.03168	1.1
315.01248	1.0
320.56253	0.9
327.12314	1.1
327.15762	1.3
330.03836	1.3
345.06119	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	345.1696
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96564	2.5
57.03429	1.4
63.44619	1.0
67.05515	1.2
69.03421	3.1
69.85549	7.3
70.50554	1.0
71.04999	2.0
72.08166	2.1
79.05492	2.1
81.03410	1.5
83.04969	1.8
85.02886	3.2
86.09702	1.9
87.10023	1.7
89.03894	1.8
90.12517	1.1
91.05463	6.4
93.07037	8.7
94.07384	2.7
95.04940	3.0
95.08624	1.6
97.02884	1.7
98.21460	1.5
98.97599	2.8
103.05450	8.2
105.07078	1.1
107.04951	2.5
107.08595	5.8
108.08945	2.0
109.06539	1.8
112.91750	1.1
115.05444	1.8
116.98625	2.7
117.03407	1.2
117.07006	3.8
119.08618	1.3
121.06474	3.0
122.03616	3.6
123.08112	1.5
131.04910	16.1
135.04414	3.8
135.11678	4.6
136.05141	1.1
137.05977	53.2
137.09587	1.3
138.06290	1.5
143.01912	1.3
143.08607	1.9
144.02022	1.4
145.02824	2.7
145.06433	2.8
146.99680	1.8
151.07541	13.2
153.05486	1.5
161.02972	2.1
161.05939	1.8
162.06755	2.9
163.02724	1.9
163.03926	16.3
163.07536	38.5
165.06979	1.2
167.07039	1.1
175.07507	3.6
177.09102	100.0
177.29665	1.2
178.09467	1.5
195.10242	8.0
207.07994	1.5
207.12073	3.2
219.01668	1.3
221.11690	6.5
229.03807	1.6
237.02916	1.4
241.08524	1.3
299.12469	2.2
313.03357	3.6
313.10568	2.1
314.13687	1.5
315.01260	3.4
315.04834	1.4
327.12335	2.1
328.12820	1.4
330.03708	3.5
345.06030	17.3
345.13266	2.7
345.18695	6.6
346.06528	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.133
Annotation	Excavatin I
Peak:m/z	Relative Intensity
52.19988	0.3
53.03931	0.3
55.01847	0.2
55.05495	0.5
56.19897	0.3
56.56304	0.3
56.61467	0.3
56.96558	0.4
65.03932	0.3
67.05492	1.0
67.35101	0.3
69.03423	0.4
69.07052	0.3
69.87359	1.9
71.04974	0.4
79.05492	2.1
81.03403	0.5
81.07034	0.8
83.08593	0.3
89.03910	3.8
91.05479	1.9
93.07053	1.9
95.04953	1.1
95.08598	0.9
97.06538	0.5
98.97576	0.4
103.05482	0.3
105.07029	2.3
107.04961	1.5
107.08606	0.7
109.06516	0.3
109.10161	1.7
116.98563	0.4
117.03378	5.4
117.06935	0.4
119.04920	1.4
119.08603	1.4
121.10160	2.1
123.08041	0.5
131.04945	0.4
133.10175	0.4
135.04410	14.9
136.04730	0.5
137.05974	0.6
137.09610	3.0
140.54669	0.3
145.02841	10.4
145.03979	0.6
147.04398	7.1
147.08096	0.7
148.04770	0.5
163.03900	100.0
164.04256	3.2
165.09125	2.3
177.05473	0.6
186.05499	0.8
186.73343	0.3
219.84531	0.4
231.03011	0.3
242.02151	0.4
285.03860	0.9
287.01868	0.4
299.09158	0.3
313.03403	2.9
315.01193	2.0
316.01837	0.3
330.03793	3.1
331.03931	0.4
333.23062	0.3
345.06076	8.2
345.13074	2.8
345.16971	0.5
345.20816	0.3
346.06372	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1332
Annotation	Chushizisin F
Peak:m/z	Relative Intensity
53.26442	0.7
55.01955	1.4
55.05332	1.8
55.05619	4.3
57.03279	1.2
57.03533	2.0
65.03696	1.4
65.04063	3.0
67.05632	6.1
68.45239	0.7
69.06786	2.0
69.07201	7.4
70.26974	0.6
71.05087	1.0
71.08223	1.7
72.23190	0.6
79.01984	0.9
79.05635	4.0
80.77627	0.7
81.03539	0.8
81.06686	1.6
81.07202	8.7
83.05070	0.9
83.08765	3.9
85.03014	1.7
85.06641	0.8
86.63621	0.7
91.05634	3.5
93.03566	2.6
93.06560	1.6
93.07195	5.7
95.05083	1.1
95.08124	1.4
95.08768	8.0
96.02266	4.3
97.06654	1.1
97.10334	3.1
98.97716	1.7
105.07195	2.9
107.00790	0.8
107.01482	2.4
107.05093	0.7
107.08767	4.6
109.03001	0.9
109.06700	0.8
109.10326	3.2
111.03770	2.3
111.04607	24.2
111.08201	0.8
111.11852	1.5
115.05589	1.9
116.06362	0.9
117.07172	1.2
119.05081	0.9
119.08784	2.2
121.02997	1.0
121.06657	0.8
121.09553	0.9
121.10320	2.7
123.04594	2.1
123.11830	1.5
128.06401	1.6
129.07188	3.9
131.05086	1.6
133.02946	0.7
133.10237	1.8
135.04579	1.0
135.08284	0.7
135.11882	4.8
137.02461	1.3
137.05977	5.3
137.09744	0.8
139.04079	16.0
141.07108	1.6
142.07912	1.0
143.05034	0.8
144.05885	2.7
145.06471	4.7
145.22003	0.8
146.07399	1.0
147.03517	0.9
147.04594	3.0
152.06343	1.3
153.05791	1.5
153.07144	4.0
154.07962	1.1
155.05118	1.9
155.08731	2.0
157.05302	1.3
157.06503	5.6
158.99803	1.1
159.04475	1.5
159.08038	6.6
159.46808	0.7
160.08832	4.6
161.05952	5.6
161.09810	3.4
161.13374	1.1
162.06860	1.3
163.04066	1.8
163.07675	1.0
165.06992	4.6
166.07767	1.7
167.03394	6.2
167.07404	0.8
167.08792	2.5
168.05725	4.3
169.06519	4.2
170.07310	1.8
171.08052	1.0
173.06117	1.5
174.06894	1.8
175.07729	2.3
177.05650	1.1
177.09271	1.3
178.07817	3.7
179.03600	1.4
179.08498	5.4
180.05872	1.0
181.06465	7.9
181.10213	0.7
182.07454	2.6
183.08041	5.0
184.05370	1.2
184.09041	1.1
185.05936	5.9
185.09782	3.0
187.07542	5.5
188.08316	8.9
189.00699	0.7
189.07158	0.7
189.09274	2.5
193.10257	0.9
195.08043	7.0
196.05174	4.7
196.08807	3.7
197.06029	5.0
197.09628	3.7
198.06747	16.7
199.04007	1.0
199.07648	2.8
199.11374	1.4
200.08272	3.5
201.05646	0.9
205.06555	1.2
206.07471	1.8
206.09413	1.2
207.04547	1.1
207.07982	7.7
208.05244	1.0
208.08804	3.5
209.05986	5.9
209.09663	1.7
210.06718	4.3
210.10484	1.4
211.04269	0.8
211.07544	14.2
211.11133	4.4
212.08206	1.5
212.57430	0.8
213.05507	9.3
213.08980	4.2
215.07104	2.0
217.19644	1.6
219.08269	1.3
221.06017	1.6
221.09775	3.3
223.07501	6.3
224.04834	3.2
224.08243	6.0
225.05592	3.1
225.09021	3.9
226.06236	7.6
227.07024	5.6
227.10733	1.7
228.07864	5.8
228.11588	2.1
234.06810	1.3
235.07553	6.6
235.20615	2.0
236.08466	2.6
237.03113	1.2
237.05573	2.4
237.09096	4.0
238.06328	3.0
238.09892	10.9
239.04642	1.1
239.07166	25.8
239.10799	16.1
239.13033	0.9
240.07774	10.2
240.11226	0.9
241.04956	6.5
241.08554	14.3
242.05721	1.5
243.06523	16.6
243.10275	1.3
244.07181	1.0
249.02698	0.8
249.09087	3.9
250.09956	0.9
251.06985	3.8
252.04242	1.9
252.07771	5.2
252.66983	0.8
253.04994	2.8
253.08578	9.8
253.12236	5.2
253.21458	0.8
254.05745	1.9
255.06462	4.4
255.10201	1.9
256.07431	18.4
256.11014	2.9
257.08087	1.7
258.09003	2.5
263.07175	2.1
265.08707	2.3
266.05908	1.2
266.09442	2.6
267.06683	6.5
267.10275	32.1
268.07318	25.8
268.10757	3.0
269.05029	1.0
269.08057	26.9
270.08838	2.1
271.06470	1.6
271.09756	8.1
271.13367	7.4
277.08636	1.0
280.07404	1.3
281.08191	4.3
281.11844	4.7
283.09683	1.7
284.06888	5.2
284.10513	9.0
285.07605	0.8
285.11127	2.5
286.08334	7.1
295.09653	9.9
296.10464	11.6
297.07925	0.9
297.11038	1.7
299.09201	100.0
299.12805	17.4
300.09540	5.1
300.12988	1.6
309.11310	1.9
309.24237	1.1
312.09998	2.2
313.03571	2.4
313.10648	17.4
314.11014	1.3
315.01456	1.5
317.13852	3.0
324.11469	1.4
327.12256	89.6
327.25204	7.2
328.12643	4.6
330.03613	1.7
345.06812	7.6
345.13290	71.5
345.26376	6.4
346.06461	1.4
346.13800	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	345.1333
Annotation	MLS002695095
Peak:m/z	Relative Intensity
55.01865	2.2
55.02468	1.2
55.05500	3.9
56.96558	2.1
57.03416	1.4
65.03934	4.7
67.05499	3.6
69.03430	48.6
69.07084	2.6
70.03763	1.6
71.04988	2.9
71.59514	2.5
76.45261	1.4
79.05491	6.4
81.03428	9.1
81.07059	6.6
83.04977	9.2
83.08584	1.5
84.96047	1.6
85.02913	9.0
85.06540	3.3
91.05486	9.0
92.02023	1.2
93.07025	3.1
93.58832	1.3
94.04210	1.7
95.04949	4.9
95.08589	4.4
96.02096	1.3
97.02885	11.6
99.04450	8.9
101.88141	1.3
103.05478	8.1
105.07045	6.3
107.01305	2.8
107.04932	4.3
107.08617	2.0
109.02877	5.0
109.06488	3.2
109.10175	3.3
111.04448	15.9
115.05463	1.7
116.98632	2.1
117.07034	3.4
119.04921	4.1
121.06494	29.1
122.03677	7.7
122.06834	14.6
123.04407	4.1
123.11672	1.4
127.03902	1.7
129.07018	2.9
131.04948	11.9
133.06502	12.7
135.04395	1.4
135.08047	9.8
135.11641	2.2
136.08351	1.7
137.02371	2.1
137.05974	100.0
138.06308	2.6
139.03915	10.3
141.06990	1.6
143.08479	1.4
144.05687	1.9
145.04921	5.6
145.06508	6.7
146.21230	1.4
147.04433	10.9
147.08031	2.1
149.05986	3.5
151.03912	6.2
151.07550	5.1
153.05478	3.4
153.06955	2.8
157.06464	4.3
158.07240	1.7
159.04373	2.1
159.08031	3.3
160.05252	2.0
160.08652	3.4
161.05980	5.0
161.09625	1.7
162.06767	1.8
163.03871	2.0
163.07533	27.8
165.05498	3.8
165.07036	4.3
167.03394	3.2
167.07013	8.4
167.08405	2.7
168.05722	2.2
169.06451	1.5
171.08076	2.0
173.05968	5.0
174.06403	3.2
175.07523	7.2
177.05487	2.7
177.09143	4.5
178.07721	3.0
179.08557	3.8
181.06479	4.1
183.08113	2.2
184.08549	1.5
185.05919	1.7
187.07536	3.8
188.08267	4.5
189.09148	2.5
191.07002	4.2
193.08600	1.5
195.08005	4.0
196.05154	2.3
196.08841	2.8
197.06062	1.8
197.09576	2.1
198.06764	7.5
200.08316	1.6
203.10638	1.7
205.08607	2.1
206.07245	1.9
206.09053	1.4
207.08035	3.3
208.08887	2.2
209.06052	3.7
209.09610	1.6
210.06850	2.2
211.07495	6.0
211.11102	1.8
212.08168	1.6
213.05472	4.7
213.09174	2.0
215.10649	3.6
221.09641	3.1
222.10085	2.3
223.07588	2.8
224.04626	1.4
224.08279	3.3
225.08995	2.5
226.06296	2.3
227.07014	2.6
227.10612	2.1
228.07722	1.4
233.06122	1.6
234.06908	1.5
235.07556	4.7
236.08200	1.9
237.02849	2.1
237.05165	1.7
238.09814	4.3
239.07095	10.9
239.10689	9.2
240.07651	3.7
240.11334	1.6
241.04944	2.6
241.08580	4.8
243.06589	4.6
245.11794	1.8
249.09010	1.4
251.07126	1.8
252.07857	3.3
253.08601	5.2
253.12372	2.0
255.06523	1.8
255.10179	1.8
256.07285	9.7
263.10501	1.4
266.09314	2.5
267.06754	2.4
267.10129	15.8
268.07281	9.0
268.10410	3.2
269.08054	12.6
271.05728	1.9
271.09714	3.2
271.13293	4.1
281.11707	3.1
283.09698	2.4
284.06790	2.8
284.10318	4.5
285.03894	3.0
285.11105	3.3
286.08334	3.6
286.87759	1.5
295.09540	6.7
296.10519	4.6
299.09113	45.8
299.12689	13.9
300.09433	2.6
312.09708	1.6
313.03574	6.9
313.07062	2.3
313.10696	14.7
314.11411	1.7
314.14639	6.0
315.01367	4.6
327.07199	6.1
327.12262	37.9
327.15964	3.1
327.25217	1.5
328.12762	3.0
330.03702	5.3
345.06281	21.4
345.13306	52.8
345.18869	47.5
346.06503	2.7
346.13779	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	345.129
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.6
55.01854	0.7
55.88206	0.6
56.96560	0.7
57.03426	1.4
58.06598	0.9
60.04515	0.7
61.02934	2.9
61.49008	0.7
63.99024	0.6
65.03928	0.8
67.05493	1.2
69.03131	0.7
69.03429	8.3
70.06581	1.9
71.49813	1.0
72.08160	3.1
73.02905	2.8
79.05489	1.0
81.03413	1.9
81.07053	0.7
82.06573	2.6
84.04493	0.9
84.08153	1.1
85.02908	11.1
86.09685	1.8
87.04459	2.0
91.03909	0.8
91.05481	1.5
92.04998	2.1
93.07015	1.0
94.06549	1.2
95.04974	1.4
96.04459	1.0
96.08125	2.3
97.02895	4.3
98.06046	3.7
98.97581	2.8
99.04449	1.3
107.04941	1.1
107.08533	0.8
108.08167	0.7
109.02884	1.5
110.06007	0.9
111.04453	0.8
116.98601	1.4
119.06064	20.4
120.04467	9.0
122.06013	2.5
123.04431	1.9
123.08080	0.7
125.17401	0.7
127.03924	3.5
128.98553	1.0
131.04984	0.6
133.02823	0.7
134.99629	0.6
135.04420	0.9
137.05978	6.1
137.07109	5.4
138.05501	2.1
139.12256	1.4
140.07060	11.5
140.99567	0.7
145.04996	1.1
147.04414	1.5
147.05540	7.2
148.03845	3.3
148.06305	27.7
148.07498	1.3
149.07098	22.9
150.05534	0.9
160.42419	0.7
161.03044	0.7
163.03909	2.7
165.06598	100.0
166.05017	5.3
166.07419	5.6
171.14948	0.9
177.05544	0.7
183.07655	57.0
183.11115	3.5
184.07938	1.4
185.16507	0.9
212.08078	1.6
219.01721	1.3
221.05396	0.7
237.02852	4.1
242.02051	1.1
270.01566	1.1
285.03900	1.5
287.01852	1.4
313.03351	4.8
315.01288	3.1
330.03714	3.5
331.03769	0.7
337.05884	3.3
345.06604	12.6
345.12906	98.0
346.06558	1.0
346.13205	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	345.0968
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17840	5.9
55.01865	7.1
63.34483	5.5
71.61860	10.2
81.07080	7.0
85.02894	16.3
91.05493	11.1
95.01328	100.0
95.04960	20.4
107.04958	79.5
113.02397	11.3
114.38966	6.1
115.05454	12.1
117.07015	8.9
119.04945	10.6
121.02856	68.3
123.04430	37.2
124.94922	6.3
125.97111	6.8
131.04933	32.6
133.06500	14.1
135.04375	11.6
141.06973	23.8
144.05699	16.7
145.06474	45.3
147.04414	9.7
151.03882	57.9
152.02083	6.0
157.06479	28.4
159.04475	14.4
165.07028	17.6
166.07806	7.2
167.08539	8.2
169.06435	37.5
171.04405	10.1
171.08057	17.6
173.05965	74.1
177.05511	8.6
178.07762	14.9
179.08580	27.3
181.05017	14.9
181.06485	25.1
183.08107	10.9
185.06021	20.0
187.03833	10.9
189.05441	9.5
189.07022	23.1
191.08513	13.7
194.07195	17.7
195.08063	15.0
197.05966	97.2
205.06561	8.6
206.07317	15.4
207.08057	81.2
208.08794	9.7
209.09666	24.6
211.07599	10.3
213.05481	18.5
215.07056	7.2
217.04880	8.7
218.07254	15.0
219.07997	54.2
221.05997	36.9
223.07506	36.4
224.08025	8.4
225.09113	26.0
235.07539	84.5
236.08321	6.5
237.09096	24.3
238.09264	7.4
241.04831	19.6
247.07591	22.8
249.05457	14.5
251.06960	37.0
252.07750	18.3
253.08580	76.1
263.07053	77.0
265.08569	14.9
267.06503	7.1
281.08044	83.0
285.04080	7.1
291.06506	14.3
299.09113	6.2
309.07501	31.2
313.03397	20.4
315.01324	11.2
327.08640	21.9
330.03705	23.2
345.05978	67.0
345.09683	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	345.0967
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84382	5.2
55.01877	10.5
60.08384	5.1
60.20168	5.4
70.66503	10.4
70.66889	10.9
79.05501	6.2
81.03370	6.3
85.02898	18.3
86.17214	5.1
90.25661	6.2
91.05457	13.7
95.01324	98.4
95.04968	24.3
103.05495	7.0
105.07044	11.9
107.04948	80.5
107.33540	5.2
109.58861	5.2
115.05455	16.9
117.07034	17.0
119.05066	7.3
121.02881	66.8
123.04439	43.3
131.04929	43.2
133.06540	16.4
135.04388	7.5
141.06937	27.2
144.05704	12.5
145.06519	40.6
147.04361	13.8
149.05971	8.4
151.03874	54.2
153.07005	6.7
157.06499	23.9
159.04446	16.6
165.07018	22.9
166.07762	6.9
167.08626	8.1
169.06474	34.0
170.03697	5.3
171.08049	13.3
173.06007	51.4
177.05508	6.5
177.06999	9.6
178.07776	11.8
179.08553	35.9
181.04990	13.7
181.06528	22.5
182.07242	6.3
183.08086	9.5
185.06012	12.2
189.06995	17.9
190.07782	11.8
191.08583	24.3
194.07318	18.1
195.08052	26.4
197.05981	89.7
205.06454	10.9
207.08043	87.9
209.09595	13.8
211.07454	12.9
213.05556	7.2
215.03416	6.6
218.07178	11.7
219.08023	49.9
221.05966	31.8
221.09470	7.7
223.07582	32.7
224.08205	11.7
225.09140	23.3
235.07512	89.2
237.09167	32.9
239.06982	14.5
241.04987	22.5
247.07481	15.8
249.05460	12.5
251.07016	26.9
252.07864	18.9
253.08583	77.9
263.06998	68.8
265.08621	15.2
281.08081	94.8
285.03790	12.1
287.01788	6.4
291.06381	13.3
308.27261	6.3
309.07547	38.4
313.03381	25.2
315.01318	17.7
327.08658	19.6
330.03717	22.0
345.05969	100.0
345.09741	10.0
346.06378	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	345.0816
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.8
53.11998	0.5
53.24379	0.4
55.01863	1.3
55.05507	1.1
55.80145	0.4
56.96571	1.1
57.03428	0.9
60.01334	0.4
64.82922	0.4
65.03952	0.7
66.64316	0.4
67.05179	0.4
67.05511	1.8
68.99794	0.5
69.03428	100.0
69.07068	0.9
70.02355	2.4
70.03761	1.3
71.01362	0.6
71.04977	1.1
79.05493	1.9
81.03418	15.5
81.07068	2.7
83.01360	0.9
83.04979	1.9
85.02908	4.8
85.06544	0.5
87.00845	0.5
87.04465	0.7
91.05481	3.2
93.03413	0.4
93.07051	2.0
95.01331	0.9
95.04967	2.6
95.08613	1.3
97.02889	21.6
97.12428	0.4
98.03268	0.6
98.20827	0.7
98.97587	4.2
99.04451	13.9
101.02409	0.6
103.05487	1.5
105.07037	1.0
107.04971	1.4
107.08610	1.0
109.02881	2.5
109.06512	0.7
109.10188	0.7
111.04428	3.1
115.03928	0.8
116.98623	2.8
117.07020	0.4
119.04953	1.6
121.02861	0.5
121.06526	1.8
121.10169	0.6
123.04481	2.4
125.02359	2.6
125.05986	0.6
125.13376	0.4
127.03905	2.7
131.00198	1.3
131.04930	2.0
133.02901	1.0
133.06512	0.6
133.10126	0.6
133.75998	0.4
134.99683	1.1
135.04416	1.6
137.05960	7.2
137.06918	0.5
139.03925	2.5
141.05408	0.5
143.03444	1.1
145.04950	13.6
147.04414	1.5
149.01254	1.2
149.06050	2.1
151.03914	3.1
151.07507	0.8
153.05434	0.8
157.05034	0.8
158.99689	1.5
159.03055	0.6
159.04469	0.7
160.08748	0.5
161.06027	0.5
163.03876	1.9
163.07574	0.7
165.05525	1.4
167.07089	1.5
173.01236	2.2
173.04527	0.8
175.07634	1.2
177.00783	1.6
177.05466	2.6
181.04926	0.5
191.02272	2.1
191.07079	1.0
193.05017	0.7
195.06598	1.1
201.05563	0.5
201.16049	0.4
202.98653	1.0
203.07030	0.6
205.05014	1.1
213.07518	0.6
214.03888	0.6
218.99963	0.4
219.01875	1.8
221.11850	0.5
223.05829	2.0
241.07062	7.9
244.99765	1.3
263.00629	0.5
267.10239	0.6
285.00238	0.4
287.01947	0.6
291.27057	0.5
299.09244	1.4
299.12762	0.5
313.00238	0.5
313.03220	2.1
313.10849	1.4
315.01407	1.4
327.07129	14.5
327.12216	1.6
328.07666	0.9
329.02902	0.5
330.03772	1.8
345.06308	6.2
345.12854	4.5
345.17065	0.5
346.06461	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.2794
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	5.4
55.05505	21.5
56.96571	2.3
57.03436	4.0
57.07072	5.3
60.43934	1.9
67.05505	87.1
67.85250	2.5
69.07075	16.4
69.84270	6.6
69.84663	5.2
71.04992	100.0
71.08634	4.1
79.05489	18.8
81.03451	2.8
81.07054	70.8
83.04974	5.6
83.08634	13.7
85.06530	4.0
91.05509	11.4
93.07047	22.0
95.04986	3.4
95.08609	20.5
97.10161	9.8
98.20715	2.5
99.08070	3.5
105.07028	11.0
107.05013	2.3
107.08600	13.0
109.10153	44.8
111.08080	5.1
117.01885	2.1
119.08600	10.6
121.06512	2.2
121.10135	8.8
123.08179	2.1
123.11707	21.6
125.09619	9.1
129.07014	3.4
131.08582	2.3
131.52611	2.2
133.10132	8.7
135.08073	2.7
135.11658	5.5
137.09653	6.8
139.11189	2.6
140.14320	3.8
145.10040	2.7
147.11673	4.9
149.13330	3.4
151.11130	2.3
154.12309	2.8
155.10675	6.9
155.14302	47.5
161.13306	7.0
163.11249	2.6
171.11685	2.6
173.11728	70.9
173.13129	2.8
185.13365	2.8
189.11206	5.8
231.21210	2.4
241.19524	2.6
242.02281	2.7
259.20563	3.4
265.34576	2.3
277.21609	32.7
285.03867	3.8
287.01843	5.1
295.22711	8.9
309.24112	2.6
313.03497	12.5
315.01364	9.4
330.03604	9.0
344.38235	21.5
345.06042	46.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.243
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73806	0.9
53.03941	1.6
55.01863	1.9
55.05492	3.8
56.96563	1.1
57.03424	4.2
62.26680	0.9
67.05499	10.6
69.03435	1.2
69.07059	8.3
70.06589	1.0
71.04999	5.0
71.05325	0.9
71.17295	2.1
71.29454	0.9
73.02911	1.7
74.42159	0.9
79.05496	11.9
81.03398	4.1
81.07062	9.2
83.04975	2.1
83.08604	1.1
89.03914	4.9
91.05478	9.6
93.07047	9.5
95.04961	7.8
95.08616	5.3
97.06529	34.6
97.10162	1.1
99.08083	2.2
105.07031	7.1
107.04938	2.0
107.08597	5.9
109.06506	3.2
109.10130	4.4
111.08086	1.1
115.07586	7.5
115.40421	1.0
117.03394	4.8
117.06990	2.7
119.04947	6.4
119.08579	6.3
121.06448	1.7
121.10126	4.2
123.08054	1.4
123.11744	1.1
129.07013	1.4
131.08545	3.1
133.10118	3.2
135.04411	13.0
135.08012	1.9
135.11655	3.0
137.05959	0.9
137.09581	3.3
138.86272	1.0
143.08516	1.1
145.02844	9.9
145.10133	1.8
147.03221	1.3
147.04395	20.0
147.07979	1.5
147.11678	1.5
148.04736	3.4
149.09668	1.2
149.13225	1.7
151.11153	1.6
157.10056	1.1
159.11647	1.8
163.03902	100.0
165.09093	1.4
173.13208	0.8
175.11215	1.4
177.12762	2.7
178.09645	1.0
179.10635	1.3
179.83076	1.0
194.79366	0.9
195.13818	3.4
219.13925	0.9
273.18439	1.3
287.01816	1.9
291.19559	2.1
313.03381	5.4
315.01297	3.9
330.03714	4.5
337.15274	0.9
345.06033	15.1
345.13251	3.3
355.14252	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.2793
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80682	3.8
51.63751	3.1
53.03928	3.9
55.01869	6.3
55.05301	3.4
55.05513	38.9
56.22370	3.2
57.03421	4.3
57.07071	10.4
65.12683	3.5
67.05502	100.0
69.03436	4.9
69.07073	31.6
71.04987	79.6
71.08617	13.6
71.62482	5.3
79.05490	39.0
81.03388	3.8
81.07051	93.4
83.04975	11.5
83.08610	22.6
85.06536	7.2
88.07638	20.7
91.05481	24.2
93.07038	49.4
95.04967	11.8
95.08600	44.9
97.06495	11.3
97.10170	18.7
99.08085	14.4
105.07020	24.8
107.08578	27.3
109.06484	5.0
109.10155	35.6
111.08069	8.2
117.07004	5.5
119.08617	17.8
121.06494	4.3
121.10147	17.9
122.10374	3.4
123.08095	3.9
123.11692	24.0
125.09634	13.6
129.06920	4.2
131.08575	5.2
133.10132	9.4
135.11676	15.7
137.09634	6.5
137.13240	6.5
139.11198	19.4
147.07956	3.9
147.11668	13.4
149.13255	10.8
151.11208	10.8
153.09149	3.7
153.12724	4.2
155.10677	14.2
155.14288	47.9
157.10080	3.9
159.11668	6.8
161.13246	12.4
163.11185	4.0
163.14818	5.8
165.12744	5.9
171.11681	3.6
173.11725	63.5
173.13168	6.9
175.11296	4.0
177.12755	5.2
179.14371	4.0
185.13272	3.7
189.11223	11.9
193.12207	6.0
195.13765	4.7
207.13919	4.3
211.13313	6.8
221.15430	5.2
229.04857	4.3
241.19476	6.0
259.20654	10.1
277.21582	66.4
278.22025	8.7
291.23074	5.4
295.22754	21.9
309.24249	4.8
313.03302	18.5
315.01425	10.3
330.03656	11.3
344.31509	25.8
344.35306	16.1
345.06055	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	344.1857
Annotation	(+)-Zippeline
Peak:m/z	Relative Intensity
58.06617	0.3
60.04507	0.8
65.03928	0.7
67.05490	0.5
69.07072	0.6
70.89022	0.5
70.89368	0.7
79.05492	1.1
81.07067	0.4
85.02895	0.6
87.42611	0.3
91.05479	2.2
93.07035	0.3
95.04954	0.8
95.08607	0.4
95.90416	0.3
97.88648	0.3
98.97547	0.3
103.05441	0.8
105.07021	3.0
107.04969	0.7
109.10181	0.3
115.05469	0.8
117.07001	1.3
117.49660	0.3
119.04933	0.8
121.06502	73.8
122.06836	0.8
124.05268	0.4
128.62012	0.3
133.06488	1.0
135.08058	10.4
137.05965	1.2
143.04945	0.6
144.05688	1.8
145.06485	5.8
147.04416	3.8
147.08041	0.8
148.07509	0.5
151.07597	0.6
152.04552	0.5
153.05470	0.4
159.08058	7.0
161.05945	0.6
161.08414	0.5
161.09616	0.5
167.07043	7.6
173.05988	9.9
173.11693	0.3
174.06599	0.5
177.05460	1.0
178.07886	0.5
179.07013	0.6
181.08601	1.3
190.06259	1.1
192.10249	0.4
195.08043	1.0
196.08719	0.5
205.08595	6.3
206.11755	1.3
207.08607	0.4
208.09731	0.5
209.09743	1.2
211.07393	0.4
218.07205	0.5
221.09621	3.3
222.11339	2.3
223.07484	0.6
223.11276	0.4
224.08170	0.4
227.10722	0.4
234.06889	0.6
235.07567	0.7
237.09070	0.6
238.09828	2.0
239.10614	0.4
241.12184	0.9
249.09184	1.4
250.09851	1.6
251.10542	0.6
253.12230	2.1
254.09445	0.4
255.10059	0.8
266.09387	1.4
267.10144	1.7
268.22797	0.4
269.11670	0.7
271.09659	0.4
281.11664	3.7
282.12531	2.0
283.09637	1.7
286.12064	0.5
295.09970	0.3
298.11911	4.5
301.14304	1.1
311.23822	0.4
312.15948	0.8
313.14334	17.8
315.15869	2.2
327.12109	0.5
344.18561	100.0
345.05975	0.8
345.18994	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	344.243
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	5.9
55.05509	41.6
55.26085	3.1
56.96577	6.8
57.03430	9.7
58.06608	4.2
65.03931	3.2
67.05505	42.1
68.05002	3.9
69.03419	14.5
69.07062	21.0
71.04995	8.4
71.59259	3.7
71.59624	3.7
73.02917	6.1
79.05486	38.6
81.03419	85.3
81.07057	39.0
83.04963	18.7
83.08615	33.2
85.02872	7.2
85.06519	4.2
91.05479	47.3
93.07052	29.4
95.04970	27.3
95.08603	16.5
97.02899	8.1
97.06535	11.7
97.10152	17.5
97.54012	3.4
98.09693	9.4
102.32662	3.5
105.07012	38.8
107.04955	10.4
107.08611	19.0
109.06533	9.4
109.10161	41.6
111.04450	6.5
111.08076	17.0
112.07584	4.3
115.05399	4.6
117.03366	4.5
117.06993	5.1
119.04955	25.8
119.08578	23.8
121.10159	14.8
123.08083	5.2
123.11748	6.9
125.09612	10.0
126.12828	3.8
129.06998	10.5
131.08572	13.9
133.06462	8.4
133.10077	18.0
135.04427	11.3
135.11722	3.9
137.05975	5.8
137.09621	35.9
139.11156	4.8
145.02893	9.9
145.10205	4.2
147.04407	100.0
147.08035	4.5
147.11717	14.5
148.04781	12.4
149.09610	8.6
154.12285	7.1
157.10152	12.6
160.13083	3.5
163.03891	80.9
165.09071	29.1
175.11215	13.4
189.11201	8.6
193.12253	43.2
204.79201	3.5
211.13300	18.1
267.70514	3.4
269.57959	3.3
285.03970	6.6
308.22263	12.9
313.03354	18.8
315.01437	9.4
326.14456	4.6
326.23218	19.3
330.03647	17.8
345.06094	47.2
345.13348	14.3
355.13782	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	344.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	8.9
53.60965	5.1
55.01859	6.8
55.05501	19.1
56.96558	5.9
57.03430	12.9
57.07064	6.8
58.06601	7.0
67.05511	53.0
69.03427	8.1
69.07069	72.5
69.26540	69.5
71.04983	29.9
73.02946	5.5
79.05491	41.0
81.03419	22.0
81.07059	46.3
83.04983	7.2
83.08636	6.5
85.02911	12.9
91.05479	49.9
92.05805	7.3
93.07039	49.2
93.31555	6.1
94.29366	6.1
95.04979	43.6
95.08581	30.4
97.06535	79.5
98.21510	12.9
105.07034	29.2
107.04942	13.3
107.08570	28.6
109.06510	19.8
109.10155	17.9
112.29338	5.8
113.05978	7.5
115.07587	39.5
117.03356	7.5
117.07011	15.3
119.04936	20.6
119.08569	37.2
120.05247	8.3
121.06487	16.0
121.10138	11.0
122.73365	5.8
123.04467	6.1
123.11697	12.1
131.08530	17.0
133.10127	22.7
135.04420	14.5
135.08080	7.6
135.11665	15.0
137.05981	8.3
145.02846	13.9
145.06519	9.2
145.10144	15.7
147.03331	11.3
147.04408	89.1
147.11754	9.2
148.04752	26.6
149.13289	9.0
159.11719	9.0
161.09633	6.1
163.03902	94.8
168.22765	6.0
177.12726	9.8
197.02547	6.3
223.13286	11.4
231.64195	8.5
237.05569	14.7
266.05969	6.5
273.18607	9.2
285.03983	9.3
291.19852	12.8
313.03482	37.6
315.01462	24.0
325.43448	5.8
327.08661	8.6
330.03671	28.5
344.15244	9.1
345.06052	100.0
345.13046	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	343.2842
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	3.0
55.05512	20.3
57.03436	2.4
57.07067	8.8
59.05000	2.6
67.05502	21.0
67.93819	1.7
69.03424	6.6
69.07062	100.0
70.06284	6.0
71.08625	2.0
79.05479	11.1
81.03405	3.3
81.07053	77.4
83.04969	5.5
83.08614	7.4
85.02909	3.7
85.06544	17.8
91.05482	6.6
93.07043	22.9
95.04971	6.3
95.08601	42.2
96.08971	2.8
97.06536	7.7
97.10163	6.0
99.08088	6.1
101.06001	4.6
103.05497	3.7
103.88794	1.9
105.07038	12.7
107.04942	4.3
107.08608	20.0
108.44922	2.4
108.84232	2.4
109.02889	3.2
109.06480	3.7
109.10143	24.1
111.06681	1.8
111.08099	4.3
111.11707	24.5
117.69644	2.0
119.08563	10.6
121.06494	8.1
121.10152	16.6
123.04488	3.1
123.08122	2.9
123.11688	17.9
125.09612	3.3
127.11190	5.8
129.06975	2.6
131.04950	6.0
131.08617	2.4
133.10158	5.5
135.04388	3.2
135.11708	12.0
137.05975	25.3
137.09662	3.6
137.13240	6.3
138.06339	2.4
139.11168	22.7
145.02870	2.1
145.04999	2.4
145.10123	4.5
147.11688	9.2
149.13264	8.0
151.14751	3.8
153.12752	5.2
157.12282	4.1
159.08044	3.1
159.11742	4.2
161.05952	4.1
161.13274	8.9
163.03929	11.4
163.07527	7.6
163.11179	7.8
163.14896	2.8
164.86331	2.4
165.12689	5.0
167.07112	3.7
175.07454	2.5
175.14803	2.4
178.05856	2.3
179.14377	3.5
181.04898	4.9
181.12195	3.7
184.90805	2.0
189.09146	3.4
219.10219	3.6
223.07535	2.3
251.06766	2.4
260.66125	2.2
263.23889	2.2
265.08578	4.7
266.08963	3.8
268.07013	2.5
269.08212	2.2
277.25064	2.5
282.08936	4.0
283.09445	2.6
289.25314	7.0
295.26300	8.4
297.11182	3.3
298.11563	3.8
307.26282	21.9
311.12741	2.8
325.10623	3.2
325.27484	5.1
343.11929	13.3
343.15543	5.8
343.22552	3.5
344.12357	2.4
344.18420	2.5
348.93744	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	344.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03357	0.5
55.01854	0.8
57.03419	1.3
57.04639	0.5
61.02901	1.9
62.92989	0.5
69.03432	4.0
69.32748	0.4
69.54066	3.9
70.06568	0.8
71.04992	0.6
73.02908	0.5
81.03404	1.5
85.02902	18.4
86.09714	1.0
88.07611	0.4
91.03978	0.8
91.05470	4.1
97.02888	4.1
98.20801	0.9
98.97615	0.6
99.04444	1.0
109.02866	1.3
116.07111	1.1
119.04937	15.7
121.06493	0.5
123.04438	2.1
127.03918	3.9
137.05991	0.9
145.04950	3.8
147.04402	100.0
148.04718	0.7
152.30397	0.4
163.03947	0.8
164.04260	0.5
165.05470	54.6
180.08719	1.5
182.08142	0.7
187.77544	0.5
216.82901	0.5
274.88651	0.6
313.03586	0.5
330.03735	0.8
344.13956	1.9
345.06027	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	344.1337
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	0.3
53.91287	0.3
55.49681	0.3
57.03436	0.7
61.02921	1.9
69.03423	3.4
69.03764	0.4
71.00734	0.8
71.04996	0.5
72.89746	0.3
73.02921	0.5
77.02441	0.3
81.03426	1.5
85.02900	15.9
86.09689	0.3
89.83754	0.3
91.03956	0.7
91.05477	3.8
97.02879	3.2
99.04462	0.6
103.03918	0.4
109.02888	1.0
116.07121	0.4
119.04935	15.7
123.04420	2.0
127.03907	2.8
145.04961	3.8
147.04398	100.0
148.04753	1.0
163.05995	0.6
165.05464	51.5
166.05769	0.6
180.08661	2.1
182.08110	0.7
193.62367	0.3
206.08244	0.4
309.09485	0.6
344.13409	1.5
345.05951	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2268
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
53.03944	3.1
55.01864	3.8
55.05515	13.7
57.03439	7.6
57.03664	1.2
57.07082	8.1
58.06584	1.2
59.04993	4.8
67.05505	19.0
69.03439	8.8
69.07059	4.1
70.04969	1.5
70.05293	7.9
71.04996	18.6
79.05495	17.5
81.03414	2.4
81.07062	20.2
83.04983	2.7
85.06548	3.9
91.05483	25.0
93.07047	53.1
95.04971	47.3
95.08606	60.7
96.08961	1.3
97.06535	11.5
97.96912	1.5
98.20866	1.8
103.05460	2.2
105.07031	55.6
105.63992	1.3
107.04926	2.5
107.07866	2.2
107.08592	39.4
109.06509	15.6
109.10132	3.4
111.08093	1.5
115.05463	3.7
117.07018	24.2
119.04931	2.3
119.08584	20.8
121.02854	1.6
121.06513	13.7
121.10130	14.4
122.07317	1.7
123.08068	18.3
128.06198	3.5
129.07016	3.3
130.07796	13.7
131.07727	1.5
131.08556	9.0
133.06485	5.5
133.10135	13.1
135.08060	20.6
135.11697	11.3
137.05992	4.3
137.09621	3.4
142.07840	2.9
143.08563	8.1
145.10129	65.0
147.04443	2.6
147.08052	9.4
147.11688	2.2
149.09552	3.6
151.07547	32.0
151.11165	1.4
153.09131	2.6
155.08482	2.3
156.09389	1.8
157.10121	7.6
159.08081	2.3
159.11670	5.8
161.05943	1.6
161.09602	6.8
161.13261	4.7
163.07538	2.3
163.11183	51.7
165.09123	16.8
167.08629	1.9
169.10150	3.5
171.11732	4.7
173.09625	4.5
173.13287	3.4
175.11218	2.6
177.09154	5.5
179.07007	4.6
179.08687	2.1
179.10612	1.7
181.12210	2.3
183.11707	2.8
187.11215	3.5
189.12769	5.8
191.10637	3.0
191.14325	2.6
193.10043	2.0
195.11661	2.4
197.13353	2.5
199.11208	2.5
201.12796	1.7
203.14333	6.4
207.10149	2.0
207.11967	1.8
207.13783	3.9
209.15373	4.5
215.14333	2.9
217.12297	1.5
221.15370	24.0
227.14441	1.7
231.13892	1.7
236.09166	1.5
263.16376	7.8
269.15469	3.7
269.45752	1.4
286.19354	3.7
287.16440	1.6
287.19907	2.7
325.21606	9.9
343.22678	100.0
344.23007	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2267
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
53.03940	3.4
55.01861	5.4
55.05513	15.5
57.03438	5.0
57.07064	9.2
58.06584	5.9
59.04996	6.8
59.06929	4.0
67.05503	20.7
69.03423	9.5
69.07059	9.1
71.04992	18.4
79.05501	16.0
81.07050	23.1
83.04959	7.8
91.05481	23.8
93.06454	4.3
93.07042	46.4
95.04968	38.9
95.08601	53.2
97.06522	9.7
98.15485	3.3
102.02373	2.5
103.05428	3.3
105.06384	4.9
105.07031	65.5
107.04939	7.3
107.08586	45.8
109.06512	13.6
109.10151	6.4
112.86733	3.1
115.05496	5.0
117.06999	20.7
119.08567	20.7
121.06500	15.1
121.10139	10.9
123.08066	21.9
123.11746	3.8
123.17519	2.8
125.05966	4.9
125.69733	3.2
128.06168	3.2
130.07809	8.9
131.08582	7.1
133.06461	5.7
133.10115	15.0
135.04446	2.9
135.08067	19.4
135.11676	13.9
137.05995	8.3
137.09528	3.6
143.08565	6.9
145.09035	5.1
145.10124	65.7
146.10445	3.0
147.04419	7.8
147.08043	11.2
147.11674	3.6
149.09639	5.7
151.07535	32.9
153.09082	4.3
154.21886	3.0
155.08649	4.0
157.10141	6.5
159.11711	8.0
161.09605	6.1
161.13187	3.3
163.11188	49.6
165.09126	15.7
171.11671	6.6
173.13194	4.6
177.09184	6.5
179.07089	3.9
183.11639	3.6
185.13344	3.9
187.11093	3.7
189.12743	9.6
203.14362	6.6
207.13795	5.1
209.15369	3.6
221.15398	19.1
263.16327	5.8
269.15625	2.7
298.11649	5.1
307.20569	3.7
325.21497	9.3
343.08148	5.1
343.18173	9.3
343.22656	100.0
343.26831	5.7
344.23035	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	342.2638
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93449	1.3
53.03939	3.1
53.05872	1.5
55.01863	6.2
55.05507	56.4
57.03436	3.8
58.06594	13.0
67.05500	18.6
69.03430	6.9
69.07065	29.4
71.18928	3.2
77.10072	1.6
79.05492	32.5
81.07049	28.8
83.04974	4.5
83.08614	34.7
85.06544	1.8
91.05477	15.0
93.07042	24.1
95.04967	4.4
95.08610	13.1
97.06557	7.4
97.10165	79.5
105.07029	18.4
107.04967	4.5
107.08588	91.4
109.06498	5.2
109.10153	6.1
111.08080	3.7
117.07011	5.5
119.08587	12.0
121.10135	6.8
123.11698	2.4
125.09624	75.4
131.08594	3.8
133.10086	11.7
135.08049	16.0
135.11697	4.8
145.10103	13.2
147.04440	3.6
147.11668	9.6
149.09621	5.1
153.09105	11.2
157.12224	6.6
159.11710	4.7
161.13235	2.6
163.11223	3.1
165.12749	3.0
169.10211	1.8
171.10179	4.7
171.11667	2.9
173.13229	2.6
181.12270	3.6
185.11748	2.2
185.13257	2.1
203.12773	100.0
204.13144	2.3
213.14755	3.1
219.17438	2.5
235.16907	3.3
239.18013	3.3
257.19031	17.4
265.08536	3.1
272.98544	1.6
273.03888	1.7
275.20035	55.5
276.20490	1.7
282.08960	2.4
289.21585	21.6
297.11118	8.0
307.22656	18.5
311.58557	1.6
342.13632	1.6
342.17142	16.3
343.18665	9.1
343.22372	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	343.2267
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
50.08856	1.7
53.03934	5.6
55.01853	4.2
55.05517	14.0
57.03423	6.0
57.07056	5.1
59.05001	4.3
65.03950	2.0
66.10784	1.8
67.05502	19.8
69.03409	7.9
69.07072	5.9
70.18834	2.2
70.19180	8.9
71.04992	20.0
71.16567	2.0
75.61623	1.7
79.05496	17.4
81.03411	2.6
81.07053	24.7
83.04964	4.5
83.08598	2.8
84.82257	2.1
85.06525	4.3
91.05479	28.8
93.07042	62.4
95.04968	45.3
95.08608	63.0
97.06530	14.6
103.05450	3.5
105.07030	69.2
107.04963	2.3
107.08592	52.6
108.05700	1.8
109.06519	14.1
109.10151	6.5
115.05460	6.1
117.07021	25.2
119.04887	2.6
119.08582	25.5
121.06485	13.0
121.10147	17.1
123.08071	20.9
123.11671	3.2
128.06206	3.2
129.06995	4.8
130.07805	13.2
130.22205	2.0
131.04933	2.2
131.08531	7.0
133.06453	6.1
133.10146	14.3
135.04384	1.8
135.08069	19.8
135.11696	13.2
137.05981	5.5
137.09654	2.7
141.06908	1.9
142.07756	5.4
143.08543	8.4
145.06470	2.1
145.10126	71.2
145.11278	3.4
147.04402	7.5
147.08011	11.7
147.11687	5.7
149.09592	6.6
151.06415	3.6
151.07545	43.3
153.09087	2.5
155.08540	2.7
156.09293	3.0
157.10126	8.6
159.08086	4.0
159.11684	9.7
160.08865	2.0
161.06061	2.6
161.09599	8.8
161.13327	2.9
163.11172	50.6
165.09103	15.1
169.10141	2.8
171.11699	6.2
173.09637	6.0
173.13339	4.4
175.11263	6.2
175.14955	2.0
177.09079	5.3
177.10500	1.9
178.28198	1.8
179.07047	3.1
179.08545	2.6
181.10172	3.6
181.12231	3.5
182.10957	2.4
183.11620	2.9
185.13264	4.2
187.11226	7.3
189.12801	10.0
191.14328	3.0
197.11670	2.6
197.13313	4.2
201.12746	2.6
203.14337	7.6
207.10052	2.8
207.11913	3.1
207.13817	7.1
208.08527	1.8
209.13350	2.8
209.15424	5.3
215.14352	2.5
221.15347	29.7
225.16409	2.4
227.14238	2.1
233.15442	5.8
245.15477	2.0
249.16618	2.3
257.15396	1.9
259.78204	1.9
263.16431	6.2
274.19504	2.6
286.19144	2.4
287.16489	2.7
287.19983	2.3
287.82028	2.0
302.67880	2.0
307.20740	3.1
325.21536	12.2
343.08313	2.3
343.22675	100.0
344.22922	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	342.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	8.4
55.01864	9.2
55.05516	29.3
56.96581	8.1
57.03434	10.3
57.07052	7.2
58.06607	24.4
59.04985	5.2
63.31002	5.1
67.05505	100.0
69.03429	10.6
69.07066	51.0
71.04988	12.1
71.62774	5.5
73.06557	5.6
79.05489	82.5
81.03415	9.7
81.07059	92.5
83.04981	10.4
83.08638	30.9
91.05489	63.5
93.07043	99.6
95.04433	6.0
95.04964	28.0
95.05512	4.9
95.08602	55.7
97.06535	18.9
97.10179	19.4
99.74178	4.9
105.04453	4.9
105.07031	55.9
107.04956	12.2
107.08598	73.8
109.06534	15.2
109.10163	38.7
111.08054	6.6
117.06992	26.7
119.08573	33.6
121.06505	9.0
121.10138	62.0
123.11706	12.2
125.09604	16.1
126.82217	4.9
129.06993	7.6
131.08609	29.9
133.10136	51.4
135.08084	9.2
135.11768	25.6
137.09618	21.1
143.08540	6.2
145.10139	22.2
147.04404	5.8
147.11742	26.7
149.09621	14.4
149.13315	5.4
155.10612	5.8
157.10173	10.8
159.11717	14.3
161.13271	7.9
163.11243	9.6
171.11668	7.0
173.11752	31.6
173.13196	12.2
181.12256	9.9
195.13823	10.1
199.14926	9.8
203.12776	15.9
222.06758	7.4
235.16835	6.0
255.01559	5.5
257.18961	12.1
265.08511	11.9
273.02911	9.3
275.20068	65.1
279.10309	6.7
282.08951	5.9
289.21613	17.1
293.21176	5.8
297.11194	12.8
307.22720	13.4
311.12671	5.1
324.13080	7.2
332.07385	6.6
342.16971	42.0
343.08081	7.3
343.22678	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	342.1699
Annotation	ISOCORYDINE (+)
Peak:m/z	Relative Intensity
54.11913	0.6
57.99871	0.6
58.06610	3.6
61.24932	0.6
69.36707	0.6
71.07577	1.6
81.16125	0.6
89.06025	0.7
90.11044	0.7
107.07063	0.8
163.13281	2.6
178.07822	1.8
179.08499	0.7
190.07787	1.6
191.08537	6.3
192.10155	0.9
194.07292	1.8
195.07846	0.8
205.06465	2.2
206.07281	1.9
207.08052	3.5
208.08871	3.0
209.06003	0.7
209.09567	1.4
218.07323	2.1
219.08069	7.6
220.08783	2.6
221.05937	1.9
221.09596	1.7
222.06735	1.6
223.11240	1.5
231.08073	2.6
233.05914	1.4
233.09671	0.9
234.06804	0.9
235.07581	6.1
236.08311	25.8
237.09077	5.9
238.06238	3.5
246.06758	1.0
247.07532	13.3
248.08311	28.7
249.05505	1.2
249.08980	2.8
250.10007	1.1
251.10646	13.4
253.08623	5.4
261.09131	1.6
262.09872	1.8
263.07056	4.6
264.07809	30.1
265.08551	23.0
266.05890	0.6
266.09109	1.3
267.10138	3.7
268.10757	0.8
278.09299	1.1
279.10153	80.7
280.10889	22.0
281.08096	13.2
281.11124	0.8
282.08557	1.4
284.10516	1.0
296.10431	22.2
297.11118	2.9
299.12750	1.6
311.12753	66.9
312.13107	3.4
342.16995	100.0
343.17249	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	342.1697
Annotation	Norsecocularine
Peak:m/z	Relative Intensity
55.08891	0.6
56.62066	0.6
58.06604	3.1
66.87006	0.6
71.09000	1.4
73.31440	0.6
105.99390	0.6
116.86993	0.6
163.03923	0.9
165.06969	1.0
179.08461	0.9
191.08505	2.7
193.06522	0.6
203.65988	0.7
205.06427	1.5
206.07285	0.9
207.08076	1.7
208.08926	0.7
209.09520	1.0
219.07983	2.5
220.08705	0.7
221.06017	1.3
221.09525	0.7
222.06744	1.3
225.09012	2.8
233.05956	2.3
235.07503	2.2
236.08310	4.9
237.09090	19.4
237.11394	1.4
238.06206	0.6
238.09398	1.1
239.07109	0.7
247.07495	1.9
248.08267	3.6
249.05476	1.6
249.09064	2.2
251.06879	1.1
251.10619	2.9
252.10979	0.6
253.08594	11.3
263.06982	2.6
263.10577	0.8
264.07809	4.6
265.08588	51.0
266.05978	1.0
266.08987	2.5
267.06564	0.8
267.10214	2.9
268.11029	1.2
279.10117	9.6
280.10931	96.9
281.08112	35.9
281.11279	4.0
282.08707	3.6
288.08380	0.6
296.10428	58.5
297.10934	3.5
299.12769	1.1
311.12759	100.0
312.13138	4.3
342.16992	52.0
343.17456	2.3
351.35300	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.2273
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	5.8
55.01870	39.6
55.05259	4.1
55.05509	53.8
56.05022	7.0
56.96560	4.4
57.07067	10.7
58.06589	8.6
59.04985	6.7
65.03926	3.4
65.19030	2.3
66.03455	6.6
66.65871	2.0
67.05168	4.4
67.05502	56.4
67.79748	2.2
68.05009	2.7
69.03423	7.6
69.07062	19.4
69.70549	2.3
70.02946	8.2
70.06583	4.2
70.53372	2.3
70.60517	7.6
71.01353	47.6
71.08624	6.7
79.05490	35.1
80.05014	8.6
80.61884	2.4
81.03408	17.5
81.07059	38.1
82.02914	2.4
82.06561	3.0
83.04980	13.1
83.08613	21.9
84.04523	5.1
84.08113	2.2
85.02908	2.7
85.06560	2.2
91.05481	42.1
93.07035	34.1
94.06558	6.5
95.04989	10.3
95.08602	29.2
96.04492	6.1
97.02885	35.5
97.06522	11.2
97.10162	24.5
98.02428	19.5
98.06030	3.7
98.09684	17.0
105.07025	17.6
106.02888	7.1
107.04964	11.7
107.08588	36.1
107.23087	2.2
108.04480	7.5
109.06511	8.3
109.10159	25.4
110.06064	2.8
111.04412	3.9
111.08105	5.4
112.03964	12.3
117.07021	9.0
119.04955	19.9
119.08570	27.7
121.06550	3.4
121.10139	16.2
122.06040	2.6
123.08031	11.9
124.11231	4.2
125.05988	3.0
125.09625	65.4
126.12772	3.2
131.08571	8.5
133.06479	4.5
133.10147	4.3
134.05927	3.3
134.08754	2.2
135.08052	6.6
135.11729	11.7
137.09599	11.8
139.11180	23.8
142.12276	5.6
145.10123	13.8
147.04399	72.9
147.08057	8.1
148.04697	3.2
149.09604	7.3
153.12698	6.5
154.12277	15.5
155.08542	4.5
155.10669	3.3
155.12982	2.8
163.11194	31.3
167.10681	13.5
168.10202	100.0
169.10466	3.1
170.11713	14.2
173.09592	9.5
173.11717	7.4
181.12198	4.1
189.11292	10.7
190.12233	6.1
191.10695	8.9
192.13774	2.7
200.10739	2.7
208.13387	10.3
209.11771	22.7
218.11884	2.8
221.02840	3.0
225.09544	3.2
236.12836	9.1
239.02222	2.9
240.23236	6.5
255.01765	5.5
260.20172	3.4
265.08435	3.6
273.02789	4.6
279.10181	2.6
288.19608	7.8
292.35410	2.4
297.11246	3.8
306.20618	32.6
307.21268	2.4
311.12708	2.5
324.21686	37.5
325.22348	2.7
342.13303	2.9
342.17090	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	342.1697
Annotation	Secocularidine
Peak:m/z	Relative Intensity
51.27288	0.5
54.33837	0.5
56.05009	0.5
58.06598	70.5
59.06923	0.6
59.72728	0.5
71.32558	0.9
89.88087	0.5
96.18262	0.5
127.58925	0.5
165.06956	1.2
166.07855	0.8
178.07831	0.6
179.08562	1.8
181.10133	1.1
182.10527	0.5
189.07025	1.1
190.07768	0.7
191.08543	6.1
194.07301	1.9
195.08069	1.0
205.06453	2.0
207.08101	3.0
208.08673	1.2
209.09642	3.3
218.07118	0.9
219.08003	4.4
222.06744	7.2
223.07520	1.3
224.08305	0.6
233.05965	2.1
235.07584	2.4
236.08336	2.2
237.09096	9.7
239.06975	1.5
247.07616	1.5
249.05432	0.8
250.06209	1.6
251.07121	0.8
253.08470	0.8
255.10162	0.7
265.08585	34.4
266.09097	1.6
267.06467	2.3
267.09940	0.5
279.10165	1.4
282.08853	10.9
282.11768	0.9
284.10428	1.3
297.11200	37.1
298.11804	0.8
299.12772	4.2
311.12643	0.5
329.45145	0.5
342.16986	100.0
343.17365	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.305
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05261	3.8
55.05511	48.1
57.07076	50.8
58.06595	5.4
67.05501	22.8
69.07069	100.0
71.07397	5.2
71.07748	3.5
71.08634	35.2
73.06550	3.0
79.05492	10.0
81.07059	48.5
83.08621	69.3
85.06525	9.1
85.10172	26.0
85.23403	2.4
91.05455	7.3
93.07037	20.7
95.08043	4.1
95.08608	48.2
97.06518	11.5
97.10171	53.7
97.75629	2.4
101.06033	2.4
105.07029	13.1
107.08592	27.1
109.06499	5.3
109.10144	27.9
111.08064	5.4
111.11716	31.0
115.07561	12.1
115.29308	2.5
119.08578	12.3
121.10120	12.2
123.08068	5.2
123.11682	15.7
125.09612	4.2
125.13245	14.8
127.03870	2.6
127.07533	4.3
129.09132	9.1
133.10103	10.7
135.11710	12.4
137.06017	4.9
137.09630	7.4
137.13223	13.8
139.11191	4.7
139.14841	6.2
141.09140	4.2
143.10675	3.8
147.11665	13.3
149.13231	9.1
151.11140	8.6
151.14803	4.8
153.12775	6.6
155.10606	3.1
157.12320	4.2
161.13272	14.6
163.14815	3.6
165.12746	14.7
165.16304	3.9
167.14322	4.1
168.49883	2.7
169.12263	5.2
171.13855	4.2
175.14815	7.2
177.16388	4.7
179.03346	2.8
179.14302	15.0
181.15909	3.4
183.13786	4.8
185.15367	4.9
189.16393	3.3
193.15909	8.5
195.17487	3.4
197.15323	5.0
207.17418	3.8
211.17001	3.4
223.07387	3.7
223.20567	3.0
235.20456	4.2
237.09091	3.2
249.22203	3.3
263.27332	10.0
265.08575	6.3
287.27304	11.7
305.28516	9.3
341.26404	5.4
341.29980	9.2
342.16968	9.3
342.37247	7.5
351.09247	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	341.3204
Annotation	stellata-2,6,19-triene
Peak:m/z	Relative Intensity
53.03938	1.9
55.05299	1.3
55.05516	12.8
57.07077	8.1
58.06599	1.9
65.05438	0.9
67.05164	1.7
67.05506	19.5
67.41791	1.0
68.79476	1.0
69.07069	35.8
71.08631	3.4
71.58131	1.9
71.58481	1.3
79.05490	8.3
81.07060	65.0
81.51955	1.0
83.08631	15.1
85.10155	1.1
88.07912	1.1
88.34755	1.2
91.05473	6.6
93.07045	26.3
95.04974	1.4
95.08608	60.9
97.10175	7.2
105.07029	19.9
107.08598	39.3
109.10162	49.6
111.11727	4.3
117.06982	2.5
119.07814	1.0
119.08589	26.1
121.10149	34.8
121.12969	0.9
123.11710	35.1
124.12061	1.6
125.13284	1.8
131.08572	3.4
133.10126	21.6
135.11697	28.5
137.06001	2.9
137.13268	19.2
138.13538	1.2
145.10118	6.4
147.11694	15.9
149.13261	18.1
151.14784	5.1
157.13426	1.1
159.11678	9.1
161.13257	16.3
163.14830	19.3
165.16365	1.9
173.13271	6.7
175.14825	8.3
177.16409	9.9
179.17892	1.3
181.31094	1.2
186.33224	1.0
187.07545	1.7
187.14821	5.9
189.16370	12.7
189.76414	1.3
191.17952	14.3
201.16505	3.3
203.17963	20.7
205.19496	4.9
211.07539	1.3
215.17960	4.0
217.19531	17.7
219.21114	1.9
229.19560	4.2
231.21088	7.2
233.22690	1.3
243.21062	3.6
245.22740	3.2
257.22729	5.0
259.24249	3.9
271.24152	6.0
285.25732	6.2
291.10278	1.0
299.27487	1.5
341.32037	100.0
342.17032	2.5
342.32407	4.3
342.37039	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	3.6
55.05502	10.6
56.96553	2.5
57.03441	4.1
57.07073	3.5
57.87681	2.3
58.06602	19.9
65.03934	2.2
66.21559	2.1
67.05504	20.8
69.03427	6.7
69.07072	25.9
71.04987	4.0
73.08869	2.1
73.26501	2.2
79.05485	15.6
81.03410	4.3
81.07065	47.7
83.04973	4.0
83.08607	6.5
85.02892	5.2
85.06536	5.7
91.05470	21.2
93.07045	20.4
94.04176	2.8
95.04964	9.0
95.08603	40.3
97.02882	2.4
97.06521	4.1
97.10176	3.8
99.08078	4.3
100.11244	5.6
103.05455	9.7
105.03371	3.8
105.07026	34.2
107.04936	11.4
107.08590	22.3
109.02885	3.9
109.06538	4.9
109.10147	37.5
111.04442	5.3
111.08087	2.8
111.11772	6.0
115.05482	7.9
117.03371	2.8
119.04931	11.7
119.08572	11.5
121.06537	6.5
121.10149	17.2
122.03666	6.1
123.04399	2.8
123.11713	11.9
127.03973	2.6
127.11217	10.2
128.06174	2.9
129.07004	12.9
130.04103	2.9
131.04950	13.3
131.08575	5.8
132.05760	2.7
133.02855	4.9
133.06483	15.4
133.10130	13.4
135.04457	3.6
135.11664	12.6
137.05972	100.0
137.09612	3.0
137.13226	5.8
138.06349	5.1
139.11168	3.4
144.94165	2.6
145.02817	3.3
145.06454	4.0
145.10132	7.7
147.04440	15.2
147.08032	5.1
147.11674	5.6
149.05997	3.7
149.13295	13.6
151.04021	2.8
151.07477	4.7
153.05516	4.2
155.04916	3.7
157.06467	3.3
159.08075	13.6
159.11716	3.7
160.05247	2.7
161.05977	39.9
161.13309	4.8
162.06735	6.8
163.03935	9.1
163.07541	4.8
163.14848	6.0
165.06996	4.4
167.07022	20.2
172.05214	5.8
173.13281	2.5
175.07552	31.6
175.14838	3.0
177.05460	5.5
177.09087	2.9
177.12849	3.3
177.16519	4.2
178.07718	4.9
179.07118	5.0
179.08530	4.3
179.10623	2.8
181.12437	2.5
187.03947	3.7
187.07564	40.5
189.06979	4.1
189.09036	3.8
190.07732	3.8
191.08530	13.9
194.07310	4.2
195.07985	3.6
197.06207	3.7
202.07820	6.7
203.08578	12.0
205.06470	5.2
206.07306	7.3
207.08052	3.9
208.09030	3.5
209.09721	3.4
211.07562	4.5
214.06331	2.7
217.06522	3.2
217.08554	9.8
218.07234	4.4
219.08008	15.6
220.08745	6.8
221.09636	12.3
222.06624	5.4
223.07487	3.1
227.07118	3.5
231.08119	12.2
233.06013	3.2
234.06793	11.2
235.07520	6.2
236.08302	5.6
237.05255	2.6
237.09055	7.3
238.09688	2.9
239.06825	2.6
240.07954	3.2
241.08214	2.4
247.07558	10.5
248.08324	9.2
249.09102	11.4
250.06111	2.6
251.07007	9.1
251.10721	9.6
253.08549	2.9
257.08188	4.2
259.07697	4.0
263.07153	3.2
263.10522	5.0
264.07693	5.8
265.08545	26.6
266.09274	8.0
267.10239	3.1
270.08978	3.7
271.09692	3.4
276.07883	3.1
277.08563	11.2
277.25534	3.7
279.10062	15.5
280.10675	2.8
281.11789	22.0
282.08847	4.5
282.11926	4.1
287.23657	6.5
291.10089	11.4
293.08191	2.6
295.09564	5.4
296.10355	3.2
297.11060	11.6
300.09918	10.5
305.24805	21.2
309.11249	63.7
310.08337	3.0
310.11673	10.3
311.09491	3.4
311.12674	15.4
313.14139	4.9
323.12836	8.2
341.10193	6.2
341.13773	78.1
342.13565	5.5
342.17355	23.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1383
Annotation	Hydranthomycin
Peak:m/z	Relative Intensity
51.72179	1.5
53.69652	1.4
70.69045	4.2
71.04982	4.2
71.70510	1.4
79.05474	1.8
79.27866	1.4
81.07067	1.4
84.35116	1.6
91.05453	2.6
94.04219	2.1
103.05434	2.3
103.10655	1.3
107.04942	2.6
109.06479	3.1
119.04928	2.4
122.03632	6.8
128.06140	1.7
129.07010	4.7
131.04913	2.7
133.02844	4.9
137.05972	100.0
144.05699	3.1
149.05972	3.9
151.03899	2.4
151.07501	6.8
152.51810	1.5
153.05518	1.8
157.06462	4.8
160.05180	2.8
161.05988	3.2
163.07590	2.8
165.05457	5.2
171.08057	1.5
172.05200	4.2
174.06726	6.9
175.07539	20.6
177.05550	7.4
177.09067	2.1
179.06990	5.0
187.07535	45.1
188.08247	1.9
189.09093	15.8
191.08600	2.2
196.05194	4.4
197.06021	1.8
199.07529	4.2
202.07794	1.9
202.73724	1.3
203.08571	12.2
205.06451	3.3
205.08382	2.0
211.07536	17.3
213.05516	2.5
217.08578	18.1
219.08060	8.1
220.08771	4.9
221.09598	2.0
225.05312	1.7
227.07016	22.0
231.08051	15.8
232.08704	4.2
233.05862	2.2
233.09587	2.3
235.07584	2.1
236.08296	3.1
237.09048	1.6
239.07059	16.8
240.07750	12.5
241.08673	2.2
243.10237	1.8
247.07509	7.7
248.08401	18.7
249.09174	3.6
251.07101	2.2
251.10640	5.0
253.08600	2.0
255.06499	18.7
256.07291	11.5
259.07556	6.4
260.08289	4.2
261.09164	2.2
263.10681	21.9
264.07883	3.4
264.11118	1.5
265.08621	6.5
268.07281	4.5
269.08029	3.4
270.08853	42.9
271.09619	60.3
276.07849	11.1
277.08499	7.7
279.10281	10.9
280.07349	1.7
280.11093	2.6
281.08105	2.4
281.11307	1.6
283.09665	13.2
291.10135	62.3
292.10782	7.1
293.08035	5.1
295.09885	1.8
296.10416	5.7
297.11346	5.5
305.11444	1.6
308.10345	9.1
311.12793	14.2
313.14267	4.6
323.12778	62.5
324.12894	1.6
341.09897	2.5
341.13840	36.1
360.72156	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1382
Annotation	Hydranthomycin
Peak:m/z	Relative Intensity
55.01857	2.0
57.07054	1.0
58.06588	2.4
62.48258	1.1
65.03925	1.3
69.07061	2.4
70.15343	5.2
71.04982	4.7
79.05481	3.0
81.07067	5.8
83.08600	1.4
91.05479	5.1
93.07069	1.8
94.04172	3.5
94.45904	1.1
95.04974	3.0
95.08590	4.4
103.05470	2.6
105.07040	6.1
107.04965	2.3
107.08578	1.9
109.06535	2.7
109.10164	2.7
111.04460	2.0
115.05437	3.0
117.06999	1.4
119.04919	1.7
122.03641	7.1
123.04450	1.4
123.11683	1.9
125.05946	1.5
128.06201	2.8
129.07018	7.6
131.04909	3.9
131.08601	1.9
133.02861	5.9
133.06485	3.2
135.04424	2.1
137.05972	100.0
139.81755	1.0
143.04942	2.1
144.05740	2.5
145.06442	2.8
147.04407	3.3
147.08046	1.9
149.05954	3.9
151.03934	2.7
151.07530	6.6
153.05431	2.0
157.06483	4.6
158.07144	1.9
159.08125	3.1
160.05229	3.1
161.05972	8.6
161.09677	1.4
163.07509	3.7
165.05476	4.1
165.06998	1.5
167.06999	4.4
172.05219	4.7
173.06003	1.4
174.06773	7.1
175.07526	19.3
176.08151	1.2
177.05441	5.8
177.09070	2.0
178.07640	1.5
179.07022	3.7
181.06467	1.5
182.07001	1.2
187.07541	40.3
189.09097	10.5
190.07866	1.5
191.07072	2.2
191.08571	4.8
196.05157	5.4
197.05994	1.4
199.07561	5.1
202.07814	4.7
203.08580	11.0
205.06595	2.4
205.08594	1.9
206.07155	1.7
207.08118	1.9
208.08778	2.1
211.07564	16.4
212.04697	2.5
213.05505	3.0
217.08583	11.9
218.07301	1.5
219.08051	11.5
220.08850	6.0
221.09612	4.0
222.06615	1.7
225.05437	2.3
227.07048	20.4
228.07689	1.8
231.08040	14.9
232.08806	3.2
233.06001	4.0
233.46326	1.2
233.61891	1.3
234.06866	1.9
235.07558	3.0
236.08287	2.6
237.09123	2.8
239.07060	11.2
240.07825	12.8
241.08575	2.7
247.07478	6.5
248.08304	21.8
249.09045	4.6
250.06244	1.9
251.07008	1.5
251.10628	6.5
253.08620	2.2
254.09422	1.6
255.06479	14.4
256.07269	7.8
259.07510	6.3
260.08362	2.4
261.09122	2.7
262.09799	2.8
263.10635	16.7
264.07788	4.2
264.10864	1.5
265.08560	6.4
266.09241	1.6
268.07312	3.0
269.08029	2.5
270.08865	35.1
270.11685	2.1
271.09641	37.4
271.12561	2.3
272.09991	1.7
276.07794	9.9
277.08511	6.1
279.10101	13.6
280.10809	3.0
281.08011	2.9
281.11777	5.1
282.08832	1.7
283.09729	10.4
291.10138	46.7
292.07614	1.4
292.10886	5.1
293.08047	7.1
294.08875	1.6
295.09619	2.8
295.13217	1.3
296.10480	7.5
297.11411	2.6
305.11697	1.9
308.10425	6.2
309.07773	2.6
309.11212	7.7
310.94543	1.3
311.09531	2.1
311.12796	16.4
313.10916	1.4
313.14310	3.2
323.09497	1.5
323.12769	43.8
324.13364	1.9
341.10272	4.0
341.13834	36.7
342.17343	1.6
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	Unknow
Peak:m/z	Relative Intensity
51.19068	0.8
53.18447	0.7
54.76039	0.8
66.04680	0.8
70.79900	2.6
73.91957	0.8
79.05502	2.3
79.15239	0.9
81.07043	1.8
91.05471	3.9
94.04163	2.8
97.33149	0.8
105.07030	5.8
109.06522	1.9
115.05447	3.0
117.07019	1.0
119.08595	2.5
122.03638	7.4
128.06256	1.3
129.06940	2.4
131.04915	2.8
132.05701	1.3
133.06491	3.2
137.05972	100.0
138.06314	1.6
145.06470	1.5
147.04430	2.1
147.08037	3.5
151.07497	0.8
159.08092	2.4
160.05229	2.0
161.05984	11.5
163.07590	1.8
167.07071	1.2
168.38983	1.0
172.05237	0.9
175.07547	28.8
176.07877	1.3
177.09114	1.2
187.07521	11.0
189.09151	1.4
190.07758	3.5
191.08543	9.0
199.07552	7.4
202.07806	2.6
203.08531	5.4
207.08119	1.1
208.08821	1.3
218.07202	2.2
219.08047	10.7
220.08844	2.1
221.06044	0.9
231.08070	4.4
235.07600	1.2
236.08301	2.7
247.07565	5.7
248.08272	3.3
249.09134	1.1
251.10658	15.1
259.07629	4.3
260.08224	1.1
261.08820	1.0
263.10764	3.2
264.08133	1.0
276.07813	1.5
277.08600	3.0
278.13571	0.9
279.10168	14.8
280.11011	1.3
281.08252	1.7
291.10162	7.8
292.10825	3.4
293.08176	1.4
295.13220	1.0
296.10358	1.4
308.10580	1.1
311.09201	1.2
311.12714	16.8
312.13214	0.9
323.12750	4.3
341.13834	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	341.1381
Annotation	Hydranthomycin
Peak:m/z	Relative Intensity
55.01857	1.1
57.07067	0.9
57.89164	0.7
58.06582	2.1
69.07050	1.2
71.04977	4.8
71.61754	1.3
79.05490	2.3
81.03387	0.7
81.07059	2.2
91.05470	4.5
93.07036	1.5
94.04176	2.8
95.04935	2.4
95.08576	1.4
102.81056	0.9
103.05473	1.3
105.06998	3.7
107.04948	29.2
109.06499	2.0
109.10127	1.1
111.04443	1.3
115.05457	2.3
119.04917	1.4
119.08593	1.6
121.06526	1.2
121.10167	1.1
122.03645	8.4
125.06009	1.7
128.06213	3.1
129.06998	7.3
131.04927	3.8
131.08525	1.2
133.02878	6.2
133.06459	1.8
135.04459	1.1
137.05966	100.0
138.06303	1.0
143.04935	1.9
144.05696	3.1
145.06459	2.2
146.07198	1.2
147.04483	1.6
147.08076	1.3
149.05986	4.4
151.03896	2.7
151.07542	5.4
153.05449	1.8
157.06488	6.2
159.07985	1.3
159.11694	0.8
160.05196	3.2
161.06021	5.1
163.03905	0.8
163.07545	1.7
165.05440	4.7
165.06729	0.8
167.07060	3.9
168.05714	0.9
171.08012	1.5
172.05153	5.2
173.05830	1.2
174.06732	8.0
175.07536	19.3
177.05432	5.5
177.09084	3.2
178.07730	1.0
179.03421	1.6
179.07027	5.0
187.07529	44.2
188.08028	1.7
189.07248	1.3
189.09088	13.4
190.07782	0.9
191.07011	1.3
191.08559	4.0
193.04903	1.2
196.05150	5.6
197.05937	2.4
199.07512	4.4
202.07791	4.2
203.08565	10.9
205.06509	2.9
205.08617	2.9
206.07233	1.8
207.06421	1.1
207.08171	1.0
208.08760	1.3
209.09581	1.4
210.06718	1.1
211.07516	18.2
212.04599	2.7
213.05464	2.9
217.06540	1.3
217.08578	14.6
218.07278	1.5
219.08054	10.1
220.08803	7.3
221.05995	1.2
221.09631	2.9
225.05368	1.9
225.09053	1.0
227.07010	22.6
228.07591	2.1
231.08032	14.4
232.08839	4.1
233.05846	2.3
233.09570	1.6
234.06699	2.4
235.05612	3.6
235.07877	1.5
236.08281	3.8
237.09074	4.3
238.06398	0.9
238.09628	0.9
239.07014	13.7
240.07762	10.6
241.04860	1.4
241.08542	2.2
247.07526	8.5
248.08319	21.8
249.05351	0.9
249.09047	6.1
250.06259	1.9
251.06900	1.9
251.10667	6.3
253.05220	0.8
253.08562	3.7
253.12364	1.2
254.09346	1.1
255.06506	18.0
256.07278	7.3
259.07495	6.1
260.08304	2.0
261.09012	2.7
262.06232	0.9
262.09869	1.5
263.07086	2.6
263.10638	19.3
264.07803	4.1
264.10818	1.3
265.08594	12.0
266.09329	1.7
268.07263	3.4
269.08035	3.3
270.08850	40.1
271.09625	43.3
272.10046	1.0
276.07834	11.3
277.08688	7.0
278.09204	1.1
279.10165	12.2
280.10806	7.2
281.08508	5.7
281.11334	5.8
282.08771	1.4
283.09677	10.3
284.10303	1.0
290.09369	1.1
291.10126	56.5
292.10806	6.6
293.08038	5.5
293.11203	1.7
294.08798	1.7
295.09793	1.6
296.10419	9.7
297.11130	4.3
305.11630	1.9
307.09708	1.5
308.10397	7.4
309.11224	6.1
311.09247	1.6
311.12756	20.3
312.13168	0.9
313.14316	3.2
323.12762	48.1
324.13080	1.7
341.10239	2.7
341.13800	35.5
341.17972	1.8
342.17279	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	341.1383
Annotation	Dehydroxycubebin
Peak:m/z	Relative Intensity
51.06882	1.2
51.21185	1.5
58.06605	15.5
58.68983	1.4
69.97683	2.7
69.98088	3.3
79.05500	1.8
81.07059	1.9
91.05490	7.7
94.04194	1.2
95.04964	1.3
98.20712	1.4
103.05448	3.2
105.07033	15.6
107.04951	1.8
109.06513	2.1
115.05448	6.1
117.06989	1.9
119.04929	4.0
119.08546	3.1
121.06499	1.3
122.03666	6.9
128.06152	2.7
129.06956	5.5
131.04924	3.5
132.05687	3.5
133.02859	2.1
133.06483	11.6
133.79863	1.2
137.05974	100.0
138.06258	1.7
141.63278	1.2
144.05634	1.8
145.06479	1.6
147.04384	4.8
147.08047	3.3
149.05995	1.9
151.07527	2.7
155.04912	1.9
157.06505	2.4
159.08023	3.9
160.05199	2.0
161.05978	31.6
162.06752	1.2
163.07541	2.5
165.06958	1.6
166.23610	1.2
167.06985	3.0
172.05185	4.5
174.06770	4.1
175.07541	33.1
177.05510	1.3
177.09084	1.3
178.36977	1.2
179.03304	1.8
179.07004	2.1
179.08511	2.0
185.05963	1.5
187.07542	27.1
188.08076	1.2
189.09102	3.6
190.07750	3.9
191.08527	12.4
194.07239	3.4
195.07982	1.5
199.07674	2.0
202.07848	1.9
203.08536	5.9
205.06482	3.7
207.08096	2.3
217.08615	9.3
218.07182	3.0
219.08066	16.6
220.08859	2.7
221.05876	1.8
222.06738	4.1
231.08006	6.4
233.05861	2.2
235.07404	3.1
236.08287	3.8
237.09081	5.6
239.06833	2.2
246.06664	1.7
247.07495	8.2
248.08252	6.7
249.09053	3.4
250.06186	2.9
250.09866	1.3
251.10654	18.0
253.08589	2.0
259.07562	4.5
261.09027	1.6
263.07019	2.5
263.10648	6.1
264.07758	4.1
265.08600	17.7
267.06628	1.8
268.10742	1.4
271.09644	2.6
276.07892	3.1
277.08701	3.7
279.10168	21.4
280.10754	2.6
281.08078	2.3
281.11508	2.6
282.08899	4.1
291.10159	13.4
292.10687	1.4
293.08127	1.8
295.09671	3.1
296.07245	1.2
296.10410	5.0
297.11200	20.6
308.10269	1.6
309.11145	10.8
310.11792	1.8
311.09152	1.9
311.12762	30.8
312.13049	1.5
323.12808	16.2
341.09866	2.2
341.13812	25.5
342.17065	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	341.1383
Annotation	Letestuianin A
Peak:m/z	Relative Intensity
58.06581	1.8
61.43014	0.8
70.03658	4.5
79.05486	2.1
81.07032	1.6
91.05460	4.6
93.07047	1.1
94.04169	3.0
99.81155	0.9
103.05457	1.9
105.07017	3.8
107.04950	19.7
107.05626	1.7
109.06515	1.5
115.05451	3.8
117.07023	2.8
119.05010	1.0
119.08582	4.6
121.06506	2.2
122.03644	7.8
128.06203	2.9
129.07021	7.0
131.04906	1.6
132.05733	5.3
133.06474	2.0
137.05974	100.0
138.06296	2.7
145.06470	3.3
147.04381	3.9
147.08044	6.8
149.06013	1.4
151.07541	1.7
153.05554	0.9
157.06422	1.5
159.08069	2.0
160.05238	2.0
161.05986	12.2
163.03938	0.9
163.07513	1.8
165.06984	1.8
167.07056	4.3
172.05162	1.3
175.07547	45.2
177.09067	3.9
178.07745	1.4
179.07039	2.2
185.05963	2.3
187.07527	9.3
189.07036	1.0
189.09073	1.8
190.07779	2.4
191.06940	1.5
191.08513	9.0
195.07980	1.3
199.07578	1.3
202.07854	1.3
203.08543	3.1
205.06508	1.6
205.08438	1.1
207.08080	1.2
208.08623	1.2
217.08614	3.2
218.07297	2.3
219.08057	11.4
220.08763	2.7
221.06058	1.3
221.09612	3.3
222.06772	3.4
231.08084	5.6
234.06744	1.8
235.05721	1.4
235.07709	1.6
236.08322	2.6
237.09039	1.9
247.07530	4.5
248.08313	4.3
249.09071	3.4
250.06216	2.6
251.06816	2.0
251.10666	11.6
253.08560	1.4
259.07562	2.8
260.08276	1.4
263.07028	1.2
263.10666	1.2
264.07733	1.5
265.08591	14.2
266.09280	0.9
276.07941	1.2
277.08591	3.8
279.10144	13.3
280.10837	3.2
281.08377	2.1
281.11755	4.9
282.44260	0.9
291.10138	4.7
293.08246	1.0
296.10355	2.3
297.11163	1.1
308.10400	1.1
309.11191	18.2
310.11691	1.3
311.09164	1.7
311.12747	19.5
323.13013	7.4
341.10098	10.7
341.13834	29.9
342.17307	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0867
Annotation	AESCULIN
Peak:m/z	Relative Intensity
51.02390	0.4
56.96559	0.3
57.03432	0.3
60.04490	0.2
61.02918	0.3
69.03423	0.5
70.53922	0.2
71.00085	0.2
71.04996	1.2
71.08649	0.2
71.58676	0.3
77.03909	0.3
79.05488	0.2
81.07053	0.2
83.04963	0.4
85.02905	2.4
89.03907	0.4
91.05467	0.8
95.04971	0.3
95.08627	0.2
97.02895	0.7
98.97572	0.5
105.03407	0.4
105.07027	0.4
107.04937	0.4
109.02899	0.3
115.51229	0.2
117.03410	0.4
119.04940	0.8
119.08581	0.3
123.04433	9.7
127.03913	0.2
129.07065	0.3
131.04903	0.4
133.02858	8.2
135.04420	1.6
137.05975	3.0
147.04399	1.0
147.08272	0.2
151.03909	3.3
151.07507	0.3
161.05971	0.3
162.09169	0.3
163.03915	0.3
177.00763	0.3
179.03397	100.0
180.03781	1.1
187.04405	0.9
187.07587	0.6
189.09056	0.3
195.61325	0.2
217.08597	0.2
219.08287	0.2
229.03899	0.4
231.08130	0.3
233.08200	0.3
237.02713	0.3
239.07007	0.3
248.08258	0.3
251.10579	0.3
253.03912	0.2
255.06683	0.2
260.07309	0.5
263.10684	0.4
268.07129	0.6
279.10004	0.2
291.10098	0.6
311.12881	0.4
323.12766	0.7
341.08746	0.3
341.13995	0.9
355.06863	0.3
359.03018	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.1905
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14470	1.0
55.05497	1.3
56.96553	2.4
58.06612	5.6
67.05497	2.4
69.07059	1.7
69.53907	9.6
79.05475	4.3
81.07052	3.5
91.05478	11.0
93.07038	13.0
95.08604	2.0
105.07018	2.7
107.08587	6.5
109.06482	1.2
109.10151	2.0
119.04938	19.9
119.08539	1.6
123.11713	1.3
135.11670	6.5
137.05952	1.6
138.12753	3.9
147.04402	83.7
148.04724	5.2
165.05486	3.2
175.87755	1.0
177.21233	1.1
195.22195	1.1
222.26878	1.3
340.15997	100.0
340.30060	10.6
341.16400	4.2
357.15417	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	340.1906
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	0.9
58.06596	4.4
63.28366	0.8
70.20235	0.9
70.20564	3.5
79.05490	1.3
81.07053	3.4
91.05480	9.6
93.07059	4.8
95.08612	0.9
98.20836	1.3
98.77993	0.7
107.08575	3.8
119.04945	20.7
119.08578	0.9
132.67827	0.7
133.28429	0.8
135.11699	3.8
137.05963	1.1
147.04407	100.0
148.04762	2.7
194.15413	0.9
221.32867	0.8
223.87173	0.7
228.08060	0.8
339.77835	1.1
340.12228	1.1
340.15952	25.9
340.29483	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.2117
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	6.9
55.01868	49.3
55.05267	3.7
55.05512	46.4
56.96553	4.0
58.06599	8.4
65.03926	5.9
66.03450	4.4
67.05500	52.4
69.03432	7.0
69.07066	94.4
69.85664	14.0
70.02955	6.1
71.01350	34.7
71.04990	5.5
77.47537	2.7
78.03447	3.1
78.04737	3.2
79.05489	44.3
80.05017	11.1
81.03416	14.9
81.07059	25.8
82.02893	3.8
82.06585	5.4
83.04979	4.9
83.08599	19.5
84.04514	4.3
88.92545	2.8
88.94254	2.7
91.05473	43.8
92.05014	7.1
93.07037	55.1
94.06567	15.2
95.04974	11.9
95.08597	20.5
96.04491	11.9
96.08118	10.3
97.02885	32.5
97.06514	9.5
97.10171	32.2
98.20837	5.2
103.05482	5.7
105.07022	12.4
106.02920	3.1
106.06535	6.9
107.04952	11.6
107.08581	29.1
108.04490	5.3
108.08122	7.2
109.06500	3.4
109.10166	22.6
110.06039	6.1
111.04453	2.9
117.07027	9.7
118.06573	3.5
119.04935	24.4
119.08570	25.1
120.08086	12.6
120.08832	3.4
121.06540	3.2
121.08849	3.9
121.10142	10.4
122.06053	5.1
122.09663	8.8
123.08073	10.8
124.11211	5.8
125.09625	26.7
129.07002	3.8
131.08575	8.2
132.08130	3.9
134.05989	6.1
134.09622	4.8
135.08063	3.4
135.11678	13.6
136.11250	3.7
137.06030	14.0
137.09644	4.9
137.54562	2.6
138.09102	3.9
140.10724	5.5
145.06393	3.6
145.10095	16.2
147.03221	5.2
147.04401	100.0
147.08015	4.3
148.04778	4.5
148.07591	5.9
150.09135	5.0
152.10706	6.8
153.12825	4.4
155.08604	4.4
163.11198	31.4
166.08635	63.3
168.10170	15.4
173.09576	6.9
173.11781	5.5
181.12152	2.9
189.11203	15.4
190.12170	5.9
191.10617	6.2
206.96661	3.0
208.13306	5.0
209.11745	16.7
215.51372	2.8
218.11700	3.1
236.12801	16.4
252.69426	3.7
276.19568	4.8
286.17853	3.8
304.18982	21.5
322.20184	25.8
340.21136	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	339.2894
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	28.8
57.07080	10.6
57.07296	1.9
57.21154	1.8
58.06583	3.8
67.05168	2.4
67.05502	30.3
68.58190	1.7
69.03432	3.0
69.07067	56.6
71.08630	4.8
71.44824	1.7
71.59084	3.6
71.59473	2.0
79.05490	12.3
81.07056	100.0
83.04985	3.0
83.08618	33.9
85.06541	22.3
85.10178	2.9
91.05478	6.3
93.07032	18.4
93.19201	2.2
95.04960	3.0
95.08606	94.9
96.08919	2.3
97.06523	7.3
97.10165	26.7
98.97608	3.6
99.08087	2.3
105.07032	14.5
107.08593	20.3
109.06533	5.1
109.10155	55.2
111.08066	3.4
111.11719	21.0
112.57464	2.1
115.07566	4.7
116.98560	4.6
119.08557	7.6
121.06486	3.2
121.10150	16.3
123.08077	5.6
123.11703	36.5
125.09631	3.9
125.13242	7.8
127.07551	6.3
127.11189	2.2
127.14289	1.9
131.08586	2.8
133.10130	10.3
134.99637	2.1
135.08084	2.3
135.11702	14.7
137.09602	5.4
137.13225	17.3
139.14780	2.3
141.09058	2.0
143.10703	2.5
145.10117	3.3
147.04434	3.7
147.11702	10.7
149.13251	10.1
151.11174	7.6
151.14810	7.4
155.10629	2.1
159.11638	4.6
161.13248	10.0
163.14806	4.9
165.12740	8.5
165.16431	4.2
169.12233	3.9
175.14787	5.1
177.12775	3.1
177.16423	2.9
179.14264	6.5
181.12222	3.8
183.13797	3.4
184.49562	1.9
189.16344	3.7
191.17989	2.1
193.15892	4.6
195.13850	5.2
203.17984	3.0
207.17412	2.3
207.21066	3.3
229.19615	2.0
261.25830	3.6
265.21555	3.8
274.97510	4.1
279.18942	2.0
285.25891	6.0
292.58292	1.9
292.98535	5.0
303.26801	10.1
307.09848	2.5
311.41309	1.9
321.27850	38.1
339.12216	4.6
339.17831	2.4
339.29065	25.3
340.11880	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	339.2529
Annotation	11,12-DHET
Peak:m/z	Relative Intensity
51.91027	1.8
53.03941	2.7
54.65377	1.7
55.05517	15.1
57.03429	9.0
57.07066	6.3
58.06598	2.8
65.03938	2.8
67.05506	92.1
69.07078	15.1
69.49197	15.5
71.04970	1.9
71.08611	2.4
78.02482	2.1
78.51231	2.4
79.05494	39.0
81.03394	2.2
81.07056	94.3
83.05000	3.8
83.08630	9.8
91.05484	24.5
93.07044	54.3
95.04971	4.4
95.08607	89.8
97.06512	5.8
97.10178	3.9
98.97549	2.8
99.08084	4.8
102.33846	2.0
105.07034	26.0
107.07865	3.3
107.08590	49.5
109.06515	5.4
109.10161	53.5
110.10442	2.6
113.09637	2.2
117.07018	8.6
119.08581	19.3
121.10136	41.7
123.11709	19.1
125.09609	2.8
131.08571	20.6
133.10149	16.1
135.11691	36.5
137.13252	5.1
139.11183	5.9
145.10147	22.3
147.04466	2.1
147.11699	19.1
149.13275	23.0
151.11127	3.1
159.11656	19.9
161.13226	6.2
163.14818	8.2
165.12692	4.7
173.13229	11.7
175.11258	3.3
175.14818	2.3
187.14847	6.1
219.21121	5.7
229.19511	30.0
247.20581	100.0
248.20947	5.4
260.84506	1.9
265.21674	7.5
274.97272	2.7
283.17056	9.7
291.23154	2.3
303.23215	3.0
320.87421	2.2
321.24207	16.1
339.15460	5.4
339.25397	38.7
340.25912	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	339.2893
Annotation	Glycidyl oleate
Peak:m/z	Relative Intensity
53.03936	0.7
54.39836	0.5
55.05510	25.3
57.03439	14.2
57.07072	11.9
61.85279	0.5
65.70052	0.5
67.05504	18.3
67.06451	0.5
69.07068	39.5
69.40781	5.6
71.04995	1.4
71.08626	5.8
79.05492	7.9
81.07058	23.7
83.04975	1.2
83.08617	25.6
84.94779	0.6
85.06569	1.3
85.10181	3.0
91.05475	1.0
93.07042	11.9
95.04947	0.7
95.08604	22.6
97.06515	3.9
97.10171	13.3
99.08097	1.2
105.07045	1.2
107.08588	8.2
109.09456	0.8
109.10151	8.9
111.08077	2.9
111.11714	2.9
119.08559	0.9
121.10150	9.8
123.11696	2.2
125.09627	0.8
133.10162	0.8
135.11690	8.7
137.13266	0.7
139.11151	1.0
149.13264	3.7
149.78786	0.6
153.12698	0.6
158.78830	0.6
163.14763	1.4
165.16440	1.1
167.14227	1.0
193.04906	0.6
247.24200	2.9
265.25259	4.0
339.28934	100.0
340.29227	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	339.1566
Annotation	Ile-Val-OH
Peak:m/z	Relative Intensity
53.04507	0.5
54.69757	0.5
69.34740	1.8
69.35167	4.5
76.52114	0.7
80.81290	0.6
88.80657	0.6
93.07059	0.9
98.21521	1.2
107.08602	0.8
119.04944	2.2
147.04419	5.2
187.03673	0.8
198.67448	0.6
203.09386	0.6
207.26788	0.6
218.48146	0.6
310.12860	0.6
324.46298	0.6
339.15665	100.0
340.16022	3.8
343.34561	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2013
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18048	1.0
55.01858	2.0
55.05507	6.4
56.96558	4.2
57.03432	2.6
57.07071	2.5
61.02913	1.9
67.05502	35.2
69.03438	2.6
69.07058	3.1
70.06597	2.1
71.04990	68.2
71.08601	1.2
71.61181	1.3
71.66094	1.1
73.02893	1.8
79.05485	4.7
81.03390	2.6
81.07053	67.3
83.04990	2.1
83.08624	1.8
84.04484	1.3
85.02905	11.9
85.06541	14.9
91.05468	6.3
93.07047	2.5
95.04942	1.6
95.08589	9.6
96.04476	1.4
97.02876	3.7
97.10179	2.3
98.97580	4.0
99.04421	1.4
99.08098	2.7
103.05457	1.4
105.07008	3.4
107.04912	1.7
109.02858	2.3
110.06048	2.8
111.04406	2.2
112.07550	1.1
115.05392	1.5
116.98595	3.3
117.03374	1.7
117.06979	1.4
119.04942	13.9
121.02859	1.2
121.06493	1.8
122.06023	6.5
123.04413	4.0
123.11698	18.7
127.03913	1.9
128.98627	1.7
131.04884	1.9
133.06499	5.4
134.99632	3.0
135.04416	3.0
136.06187	9.6
136.07489	2.5
137.02269	1.7
138.05493	2.7
138.09131	5.6
139.03880	7.1
140.07050	2.2
141.12730	100.0
142.13086	2.7
145.02840	2.0
145.06506	2.5
146.99657	3.6
147.04404	61.7
148.04742	3.3
150.03125	1.2
150.05492	4.3
154.08549	1.4
159.13797	69.8
160.14165	1.6
161.01266	1.9
161.05919	3.0
163.03908	12.7
164.07060	1.8
165.05418	1.4
166.05002	2.7
167.07077	3.0
172.09666	1.3
173.05957	2.0
174.07889	1.4
177.00580	1.8
177.01932	1.3
177.05507	5.7
177.14856	31.7
178.08626	3.1
182.08020	1.4
184.06065	1.6
189.05392	1.2
191.06911	1.5
193.08623	2.8
203.03383	9.0
205.08488	1.6
214.13802	1.2
221.08037	1.4
233.08089	2.6
237.02818	4.9
261.04010	1.8
267.08597	2.0
267.11295	3.9
271.06024	1.7
279.04956	1.4
285.12341	3.4
293.10117	1.4
295.08197	1.9
303.13382	3.8
304.11652	1.4
321.09705	1.3
321.14359	2.9
331.10776	1.1
339.07388	3.8
339.10852	4.6
339.15555	4.1
357.08536	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	339.1226
Annotation	CHEBI:67529
Peak:m/z	Relative Intensity
53.03939	0.7
56.50011	0.5
65.03918	1.7
67.05508	1.0
69.03432	0.6
69.07050	0.9
69.88578	3.5
78.87039	0.5
81.03404	4.2
81.07029	1.2
85.02904	3.0
86.64290	0.6
87.56593	0.6
89.03923	0.8
91.05458	1.8
93.07032	0.9
95.01290	0.7
95.04987	0.8
95.08598	0.6
97.10165	1.0
98.20764	0.7
105.03452	0.6
105.07014	0.8
107.04958	2.8
107.08542	0.7
109.02888	1.4
109.06510	0.6
109.10126	1.1
110.03642	1.2
111.04470	1.2
115.05417	0.8
117.03374	1.7
119.04922	0.5
119.24763	0.7
121.02832	1.1
123.04325	0.6
125.05952	2.9
129.06982	1.4
131.04968	0.8
135.11642	0.8
137.05975	2.5
143.04904	0.7
145.02826	5.0
145.06451	1.4
146.47182	0.6
147.04366	1.0
149.05927	0.7
153.05437	2.4
158.07294	1.0
159.08054	5.0
165.05638	0.6
165.07002	1.7
167.06998	1.7
171.04457	1.5
175.07565	0.7
177.05469	7.7
177.06929	1.1
178.07761	2.5
179.08530	1.8
185.05998	5.5
186.06772	3.9
189.06909	3.0
190.07777	5.7
191.08549	7.2
193.04971	0.7
193.06523	2.8
194.07169	0.7
195.08060	1.2
197.09804	0.6
202.07816	1.9
203.08543	2.4
204.05713	1.0
205.06450	3.9
206.07240	3.7
207.08057	8.1
208.08833	4.7
214.06288	3.4
217.06535	1.9
218.07263	8.4
219.08038	16.5
220.05243	0.7
220.08813	8.0
221.06023	8.3
221.09532	2.6
222.06638	1.2
223.07579	1.1
225.09053	1.6
229.08600	11.0
231.08052	1.6
233.05923	2.9
233.09534	2.9
234.06801	3.6
234.10321	0.8
235.07515	14.4
236.08305	13.9
237.09076	3.1
238.06207	1.2
239.07025	1.4
246.06721	3.6
247.07503	8.9
248.08235	3.9
249.05539	4.1
249.09081	4.6
250.06282	3.3
250.09770	2.2
251.06926	1.4
251.10680	19.2
252.07889	0.7
252.11023	1.2
253.08607	3.8
261.09036	2.5
262.06238	1.1
263.07016	7.7
264.07791	24.7
265.08542	11.4
266.05710	1.1
267.06415	0.9
267.09982	1.1
268.10916	0.8
275.06995	4.8
276.07791	1.0
277.08572	4.7
278.09323	5.4
279.10138	17.2
280.10797	3.6
281.08090	10.2
282.08603	1.6
283.13220	1.3
289.08640	0.9
291.06339	1.3
291.09885	0.7
292.07242	4.8
293.08066	5.5
293.11194	1.0
294.08612	1.2
295.09720	1.1
296.10367	2.7
306.08728	2.1
307.09619	39.6
308.10300	9.5
309.07544	1.3
309.10919	1.1
311.12766	52.4
312.13062	2.6
321.10892	1.7
322.18082	2.1
323.09079	1.4
324.09888	4.9
339.12253	100.0
340.12604	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	339.1225
Annotation	Vitrofolal A
Peak:m/z	Relative Intensity
55.01896	0.7
55.05508	1.8
57.48249	0.6
58.06571	0.7
59.29129	0.6
63.23989	0.6
63.84160	0.7
65.03941	0.8
66.81370	0.6
67.05489	1.4
69.03429	2.2
69.07078	1.2
69.63377	5.2
79.05463	1.3
81.03410	3.1
81.07047	5.8
85.02904	2.3
91.05486	2.2
93.03397	0.7
93.07056	1.2
95.04972	0.7
95.08612	2.8
97.02904	1.5
97.10168	2.2
101.97904	0.7
103.05484	1.0
105.07023	1.9
107.04953	2.2
107.08601	1.4
109.02888	1.0
109.10191	1.6
110.03658	2.3
111.04465	1.7
115.05463	1.5
117.03391	2.9
119.05075	0.6
121.02887	0.7
121.06474	1.1
121.10150	0.7
122.03613	1.0
123.11809	0.7
125.06011	3.9
127.03867	0.8
129.06999	0.9
131.04877	0.9
133.10094	0.7
137.05992	10.9
143.10632	1.1
144.05692	0.9
145.02835	4.5
145.06470	1.9
149.05977	1.2
149.13330	0.7
151.03831	0.8
153.05417	2.4
155.04964	1.2
157.10017	0.6
159.08081	4.4
161.06053	1.9
161.13307	0.9
165.05563	0.8
165.07008	1.7
167.07066	1.4
170.03705	0.7
171.04471	0.8
172.05302	0.7
173.05957	1.3
175.07527	1.1
176.06160	0.8
177.05463	10.3
177.06915	1.1
178.07787	2.2
179.08549	2.3
181.06447	1.2
185.05974	4.3
186.06772	2.9
187.07538	1.1
189.06990	4.2
190.07846	3.8
191.08572	6.1
192.09125	0.9
193.06528	1.9
194.07242	1.2
195.08112	1.2
197.09589	1.0
201.07057	0.8
202.07767	2.4
203.08611	2.2
204.05722	1.6
205.06531	4.9
206.07294	3.8
207.06502	0.8
207.08083	6.2
208.08830	2.8
209.09656	0.8
210.06673	0.8
211.43524	0.7
214.06227	1.3
215.08594	1.0
217.06502	1.8
218.07288	7.1
219.08046	16.3
220.08844	5.2
221.05954	7.3
221.09604	2.7
222.06839	0.9
222.10292	0.9
223.07655	0.7
224.08347	0.7
225.09052	1.6
229.08620	4.0
231.08015	2.4
232.05289	1.0
232.08818	1.0
233.06052	3.0
233.09637	2.9
234.06744	4.0
234.10458	0.8
235.07510	13.1
236.08311	11.2
237.09111	4.0
238.06194	1.5
239.07001	2.9
245.05934	1.0
246.06819	3.0
247.05092	0.6
247.07542	11.3
247.09862	1.1
248.08269	4.8
249.05499	4.5
249.09055	5.6
250.06264	3.0
250.09862	2.5
251.07025	2.7
251.10672	13.2
252.07732	0.9
253.08583	5.2
261.09146	4.6
262.06305	1.4
262.09305	0.9
263.07068	6.2
263.09824	0.9
264.07770	14.9
265.08566	12.1
266.05927	0.7
266.09152	1.8
267.06506	1.4
267.10159	1.3
275.07050	5.0
276.07581	1.5
277.05280	1.3
277.08551	7.3
278.09296	6.0
279.06961	1.2
279.10126	14.4
280.07611	1.1
280.10791	3.6
281.08127	9.1
282.08875	0.9
283.09525	1.0
285.07596	4.1
289.08423	2.5
291.06534	1.6
291.09885	1.4
292.07303	4.3
293.08057	4.3
293.11526	1.5
294.08798	2.7
295.09653	1.7
296.10443	4.6
297.11172	0.9
306.08981	1.7
307.09613	21.2
308.10263	6.0
309.07617	2.0
309.11194	2.5
311.12778	42.1
312.13083	3.3
321.11267	7.6
321.24304	1.2
322.11325	1.5
322.18170	1.3
323.09232	1.2
324.09827	4.2
332.60815	0.7
338.11325	0.7
339.12274	100.0
340.12610	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	339.1075
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03904	1.0
55.01840	0.8
55.05483	0.7
57.03402	0.6
58.36952	0.3
61.02885	0.8
65.03895	0.4
67.05453	1.2
69.03430	7.3
69.07018	1.4
71.04951	0.8
71.59119	0.5
76.18040	0.3
79.05446	0.9
81.03412	7.5
81.07043	3.4
81.61668	0.3
83.04919	0.4
83.08601	0.4
85.02905	3.5
85.06509	0.7
89.03401	0.4
89.03906	5.3
91.05423	1.0
93.07044	1.8
95.04925	0.5
95.08611	3.2
95.09182	0.6
97.02839	1.2
97.10120	0.4
97.70408	0.3
99.04401	1.2
101.26296	0.3
103.05411	0.5
105.06999	1.4
107.04938	0.7
107.08570	2.1
109.02866	3.1
109.06502	0.4
109.10130	2.1
110.83830	0.3
111.04421	1.0
116.98643	0.3
117.03374	19.2
118.03665	0.7
119.04959	0.4
119.08527	1.3
121.06487	0.5
121.10117	1.4
121.10970	0.3
123.11663	0.7
125.05965	1.0
127.03905	2.9
127.11179	0.4
128.39958	0.3
131.04889	0.4
131.08533	0.5
133.10114	1.0
134.03609	1.5
135.04398	1.8
135.11642	0.6
137.05978	2.3
137.13252	0.5
145.02840	51.9
145.10048	0.5
146.03188	0.8
147.04410	0.9
147.11678	0.8
149.04787	0.4
149.05978	7.8
149.13252	0.5
151.03847	0.5
151.07581	0.4
151.11157	0.4
153.05428	0.5
155.01073	0.4
159.08023	0.8
159.11687	0.4
161.13239	0.5
162.03021	0.4
163.03902	1.3
163.11235	0.5
165.05487	0.4
177.05464	100.0
177.16400	0.6
178.05838	3.5
178.07535	0.7
185.05945	0.7
186.05504	1.4
186.06946	0.4
187.07475	0.4
189.06950	0.7
190.07791	0.5
191.08566	1.1
193.06599	0.5
194.07214	0.4
195.06540	2.1
199.07671	0.4
204.05824	0.4
205.06587	0.7
206.07333	0.6
207.08041	1.1
208.08852	0.9
210.50853	0.3
214.06430	0.4
215.06990	0.4
218.07277	1.6
219.08031	2.8
220.08789	1.7
221.06004	1.4
221.09526	0.5
229.08662	1.1
233.05986	0.6
233.09662	0.5
234.06798	0.6
235.07544	2.4
236.08362	2.5
246.06906	0.4
247.07607	1.9
248.08319	0.6
249.05426	0.7
249.09221	0.8
250.06374	0.7
251.10733	3.0
253.08708	0.7
263.07047	1.7
264.07791	4.4
265.08490	2.0
275.07092	0.9
275.23730	0.4
277.08752	1.2
278.09409	1.3
279.10205	3.2
280.10925	0.5
281.08124	1.9
289.08752	0.5
292.07330	0.9
293.08109	0.8
295.09644	0.7
296.10544	1.0
303.23172	1.1
307.09604	7.6
307.12979	0.5
308.10565	1.4
309.07654	0.5
311.12778	11.1
321.09622	11.6
321.24341	0.8
324.10052	1.1
339.12350	19.4
340.12881	1.3
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	Vitrofolal A
Peak:m/z	Relative Intensity
50.12114	0.6
51.21003	0.7
55.01873	0.9
55.05501	1.0
65.03928	1.3
67.05492	1.2
69.03423	1.4
69.07053	2.0
70.06834	3.4
71.04977	1.1
74.66310	0.7
79.05461	0.8
81.03387	1.7
81.07047	3.1
84.32800	0.9
85.02885	2.3
89.03904	0.9
91.05477	2.5
93.07030	2.8
95.04937	1.4
95.08582	1.5
97.02885	0.7
102.00662	0.8
105.07034	1.5
107.04964	2.2
107.08559	1.9
109.10133	2.0
110.03659	1.6
111.04438	1.1
111.08057	0.8
114.42772	0.7
115.05383	0.8
116.98611	1.1
117.03364	2.6
119.08591	1.3
121.02913	0.8
121.10165	1.0
123.04448	0.6
123.11691	1.8
125.06005	3.6
129.06996	0.7
131.04939	0.9
132.98364	0.8
133.10146	0.8
135.11662	0.9
137.05960	5.2
144.05679	1.3
145.02835	6.9
145.06465	2.0
147.04396	1.2
149.05960	1.6
149.09610	0.7
149.13286	0.8
151.03951	1.3
153.05481	2.8
159.08057	4.5
159.11638	0.9
161.05972	1.1
161.48816	0.7
165.06966	2.5
167.07040	1.7
171.04385	1.4
177.05498	12.3
177.06950	1.1
178.05952	0.9
178.07782	1.7
179.08487	1.6
185.05986	4.8
186.06752	3.6
187.07591	1.3
189.06941	4.6
190.07742	5.3
191.08551	7.9
193.06450	3.3
194.07248	1.0
195.08080	1.2
197.09505	1.0
201.07031	1.0
202.07840	2.2
203.08582	1.6
204.05653	0.9
205.06499	3.9
206.07280	3.1
207.08041	7.3
208.08725	4.3
210.06808	1.1
210.78636	0.7
211.07452	0.8
214.06248	2.3
215.08604	0.9
216.35619	0.7
217.06485	2.2
218.07230	9.0
219.08038	22.3
220.08813	7.4
221.06012	8.0
221.09488	3.5
222.06630	1.9
223.07533	1.3
224.08356	0.7
225.09077	1.2
229.06555	1.4
229.08585	6.7
231.07951	1.5
233.05943	3.8
233.09607	2.7
234.06711	4.2
235.07533	15.2
236.08305	13.6
237.09105	4.1
238.06302	1.6
239.06920	1.3
245.05988	0.9
246.06750	6.3
247.07527	19.9
248.08229	5.0
249.05499	4.9
249.09058	5.5
250.06198	2.8
250.09982	2.6
251.07042	1.9
251.10655	16.8
253.08577	5.0
260.08286	1.0
261.09125	3.9
262.06226	0.9
263.07007	9.0
264.07785	20.7
265.08563	11.3
266.05850	1.0
267.10019	1.2
275.07007	9.1
276.07767	1.9
277.08478	3.8
278.09366	5.1
279.10132	18.6
280.10684	3.5
281.08072	11.8
281.11087	0.6
289.08539	2.2
291.06375	1.5
292.07211	6.8
293.08109	5.0
294.08746	1.4
295.09744	1.0
296.10284	4.3
303.23260	1.3
306.08838	1.9
307.09613	34.0
308.10260	7.4
309.07629	1.9
311.12766	48.2
312.13184	2.4
321.11270	3.3
323.09012	1.3
324.09906	5.0
339.12253	100.0
340.12610	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	339.1073
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.8
55.01868	0.8
55.71690	0.5
57.03418	1.2
62.42228	0.4
67.05490	0.9
69.03082	0.5
69.03428	7.1
69.07056	0.6
70.10697	1.4
73.02903	1.3
79.05477	0.7
81.02977	0.7
81.03420	9.4
81.07032	1.3
85.02908	4.1
89.03908	4.8
91.05473	1.4
93.07013	1.0
95.04936	0.6
95.08611	0.8
97.02885	1.6
99.04447	1.4
100.11234	0.8
105.07008	0.6
107.08604	0.6
109.02895	3.9
110.18592	0.5
117.03374	16.4
119.08560	0.6
121.10131	0.6
127.03928	3.6
134.03619	1.8
135.04404	1.4
137.05972	1.3
145.02846	53.7
146.03215	1.6
147.04434	0.8
149.05975	7.0
159.08109	0.6
163.03914	1.0
177.05467	100.0
178.05840	3.5
186.05475	1.2
189.07028	0.6
191.08548	1.0
195.06514	2.2
205.06548	0.9
208.08971	0.6
219.08012	2.2
220.08807	1.0
221.06021	1.1
235.07567	1.6
236.08289	1.3
246.06923	0.6
247.07610	1.2
249.09027	0.7
251.10709	1.9
253.08604	0.6
258.07507	0.9
263.07059	1.0
264.07925	2.5
265.08575	1.6
275.72217	0.8
279.10141	1.7
281.08133	1.7
293.08105	0.5
296.10437	1.0
307.09497	3.7
308.10260	0.9
311.12796	8.5
312.13098	0.6
313.15903	0.6
321.09662	12.1
322.10104	0.8
339.12350	11.3
340.12411	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1073
Annotation	alpha-Hydrojuglone-4-glucoside
Peak:m/z	Relative Intensity
53.03930	0.8
55.01868	0.8
55.71690	0.5
57.03418	1.2
62.42228	0.4
67.05490	0.9
69.03082	0.5
69.03428	7.1
69.07056	0.6
70.10697	1.4
73.02903	1.3
79.05477	0.7
81.02977	0.7
81.03420	9.4
81.07032	1.3
85.02908	4.1
89.03908	4.8
91.05473	1.4
93.07013	1.0
95.04936	0.6
95.08611	0.8
97.02885	1.6
99.04447	1.4
100.11234	0.8
105.07008	0.6
107.08604	0.6
109.02895	3.9
110.18592	0.5
117.03374	16.4
119.08560	0.6
121.10131	0.6
127.03928	3.6
134.03619	1.8
135.04404	1.4
137.05972	1.3
145.02846	53.7
146.03215	1.6
147.04434	0.8
149.05975	7.0
159.08109	0.6
163.03914	1.0
177.05467	100.0
178.05840	3.5
186.05475	1.2
189.07028	0.6
191.08548	1.0
195.06514	2.2
205.06548	0.9
208.08971	0.6
219.08012	2.2
220.08807	1.0
221.06021	1.1
235.07567	1.6
236.08289	1.3
246.06923	0.6
247.07610	1.2
249.09027	0.7
251.10709	1.9
253.08604	0.6
258.07507	0.9
263.07059	1.0
264.07925	2.5
265.08575	1.6
275.72217	0.8
279.10141	1.7
281.08133	1.7
293.08105	0.5
296.10437	1.0
307.09497	3.7
308.10260	0.9
311.12796	8.5
312.13098	0.6
313.15903	0.6
321.09662	12.1
322.10104	0.8
339.12350	11.3
340.12411	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.1442
Annotation	Streptobiosamine
Peak:m/z	Relative Intensity
54.28407	0.3
54.54741	0.4
55.05484	0.4
56.91173	0.4
67.05489	1.4
68.05825	0.3
71.59589	0.4
79.05482	0.7
79.86935	0.3
81.07045	1.0
85.16094	0.3
90.82576	0.4
91.05458	0.4
91.86317	0.4
93.07021	0.6
95.08596	0.8
107.08580	0.6
109.10112	0.4
119.65907	0.3
120.56374	0.3
121.31300	0.3
147.04364	0.7
151.58798	0.4
153.03354	0.3
172.95250	0.5
224.10378	0.3
338.14420	100.0
339.15036	2.9
356.15314	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1074
Annotation	3-p-coumaroylquinic acid
Peak:m/z	Relative Intensity
65.03924	1.0
67.05496	0.2
69.05508	0.2
70.53119	0.8
73.76720	0.2
81.03382	0.2
83.04959	0.7
85.02898	0.4
91.05479	8.2
92.05813	0.4
93.03393	0.2
95.04966	0.4
95.70667	0.2
97.02869	0.3
98.97594	0.3
111.04458	0.3
114.24863	0.2
119.04939	22.9
120.05280	0.5
121.02911	0.3
139.03928	0.2
145.02831	0.3
147.04405	100.0
148.04736	3.0
163.03938	0.6
165.05537	0.7
177.05547	0.4
219.02907	1.5
233.04291	0.2
260.06110	0.2
261.03976	0.6
321.09576	0.3
339.07190	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.141
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	0.3
56.96546	0.6
67.05491	0.7
69.07036	0.3
70.54806	0.4
70.55195	0.6
76.07093	0.2
79.05461	0.7
81.03394	0.3
81.07034	0.8
85.06535	0.4
91.05474	0.7
91.87907	0.2
93.07048	1.8
95.04976	0.3
95.08607	0.7
98.20870	0.3
105.07042	0.8
107.08583	1.1
109.10185	1.2
119.04954	0.3
119.08599	0.3
121.10109	0.8
133.10129	0.3
133.39917	0.2
134.99590	0.3
135.11656	0.7
147.04372	0.8
151.11172	0.6
163.03864	0.3
173.09372	1.8
177.05519	0.3
187.03653	1.3
189.24251	0.4
199.14854	0.4
208.91847	0.3
239.02296	0.7
246.14888	0.2
257.03323	1.0
319.22760	0.5
337.14084	100.0
338.14423	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	337.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92195	0.7
53.03943	2.2
55.05513	25.5
57.03437	18.6
57.07079	3.9
57.18723	0.7
63.29084	0.7
65.03938	1.9
66.23244	0.8
67.05505	61.5
68.05824	2.6
69.07067	32.8
70.20128	3.4
71.04978	2.2
71.08618	1.5
79.05490	15.2
81.07056	59.3
82.07380	2.2
83.04979	1.4
83.08615	17.5
85.06544	2.3
91.05477	8.5
93.07046	15.5
95.04969	1.6
95.08604	44.4
96.08936	2.0
96.14699	0.8
97.06535	2.5
97.10185	8.0
99.08080	1.1
105.07030	5.4
107.08598	7.5
107.89222	0.7
109.10168	14.0
111.08089	1.5
111.11717	1.5
112.26276	0.7
112.84286	0.7
119.08572	5.8
121.10162	5.6
123.08057	1.3
123.11710	6.6
130.17944	0.8
130.85231	0.9
132.40761	0.9
133.10138	6.1
135.11736	3.6
137.09637	1.2
137.13275	2.8
147.11693	4.7
149.13257	2.7
151.14824	0.8
161.13264	2.5
163.14809	2.0
175.14813	2.8
245.22762	1.5
250.53026	0.8
263.23721	3.5
286.45370	0.8
337.27347	100.0
338.27628	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	Subamolide C
Peak:m/z	Relative Intensity
51.02377	0.2
53.03627	0.2
53.03685	0.2
53.03941	1.0
55.01873	1.3
55.05508	25.1
56.05841	0.4
57.03434	15.9
57.07073	3.8
65.03928	1.5
67.05500	50.8
67.80704	0.2
68.05843	0.9
69.03410	0.3
69.07063	31.8
70.07397	0.5
71.04990	1.3
71.08624	1.4
71.44131	0.4
73.06564	0.4
74.54414	0.2
77.34936	0.2
79.05487	13.4
80.05826	0.3
81.03439	0.2
81.07051	50.8
82.07389	0.7
83.04980	2.0
83.08613	15.0
84.08945	0.2
85.06534	1.5
85.10177	0.6
91.05475	8.7
93.07039	12.8
95.04971	1.1
95.08601	37.2
96.08927	0.6
97.06524	3.4
97.10165	8.1
99.04434	0.2
99.08079	1.1
101.05988	0.3
105.07023	5.8
107.08586	6.3
109.06502	0.5
109.10149	13.4
110.10455	0.2
111.08089	1.8
111.11716	1.7
113.09657	0.6
115.07589	0.3
117.07053	0.3
119.08568	4.9
121.10129	5.9
123.08045	0.9
123.11705	6.2
125.09586	0.9
127.07497	0.2
127.11178	0.3
131.08551	0.2
133.10126	4.9
135.11684	3.2
137.09598	0.8
137.13235	2.2
139.11177	0.7
145.10092	0.3
147.11671	3.2
149.13264	2.2
151.11153	0.6
151.14796	1.1
153.12733	0.6
161.13228	2.8
163.14825	1.7
165.12802	0.5
165.16371	0.4
167.14267	0.3
175.14806	2.0
177.16356	0.3
179.14307	0.4
181.15843	0.2
189.16367	0.7
193.15875	0.4
203.17923	0.3
219.18079	0.2
245.22678	1.7
263.23697	2.8
264.24078	0.2
337.27338	100.0
338.27689	4.4
339.72342	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2734
Annotation	Subamolide C
Peak:m/z	Relative Intensity
53.03940	0.8
55.01866	1.0
55.05509	21.0
57.03436	16.6
57.07069	4.1
58.61092	0.4
61.69591	0.5
65.03931	0.9
67.05502	46.3
68.05839	0.5
68.56000	0.5
69.07066	25.9
69.54227	4.0
71.04977	1.2
71.08614	1.4
79.05489	11.8
81.07052	51.2
82.07379	0.5
83.04986	1.0
83.08614	15.3
85.06522	1.3
85.10179	1.2
91.05477	7.7
93.06469	0.8
93.07042	13.2
95.04964	1.1
95.08601	40.7
96.08900	0.4
97.06512	3.2
97.10162	7.2
98.20703	0.7
99.08081	1.5
105.07021	5.3
107.08591	6.8
108.96269	0.4
109.06496	1.0
109.10150	15.9
111.08073	1.7
111.11713	1.8
119.08563	4.6
120.08965	0.5
120.96450	0.5
121.10126	6.2
123.08065	1.1
123.11716	6.4
125.09637	1.0
125.13248	0.4
133.10112	5.6
135.11710	4.0
137.09586	1.4
137.13252	2.8
147.11644	3.0
149.13242	2.2
151.14807	1.1
153.12747	0.7
161.13251	2.8
163.14879	2.7
165.16371	0.7
175.14896	2.1
179.14299	0.7
189.16411	1.1
221.80434	0.4
245.22615	3.0
263.23642	4.9
266.89151	0.5
278.53113	0.4
282.24109	0.5
319.26428	0.7
337.27353	100.0
338.27689	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0893
Annotation	Flustraminol A
Peak:m/z	Relative Intensity
64.47173	0.3
71.39372	0.7
73.13766	0.3
73.24215	0.3
76.02304	0.3
98.97549	0.4
101.00894	0.5
109.05555	0.2
119.01907	1.0
120.21918	0.3
127.02412	0.4
131.00258	0.4
131.01901	1.5
133.03452	0.7
145.03464	1.8
155.01852	0.5
157.03482	1.0
161.02882	0.3
171.01393	0.4
173.02945	1.3
175.04485	0.6
189.02252	0.3
217.01924	1.6
229.01935	0.8
229.98425	0.3
235.02907	0.6
247.03030	0.9
277.07623	1.0
295.08661	1.5
337.08923	100.0
338.09464	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0895
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96564	5.7
57.03417	1.6
58.78621	1.2
61.02898	1.5
63.80249	1.3
66.71187	1.2
69.77904	5.4
69.78328	2.7
73.02923	3.2
75.27147	1.9
78.05085	1.4
81.39124	1.3
85.02887	2.3
86.61596	1.5
97.02909	2.1
98.97576	9.1
103.02457	1.6
108.49512	1.4
110.97575	2.3
112.99129	6.4
115.43806	1.5
116.98605	3.7
119.01939	4.1
128.98631	2.7
131.00171	7.7
131.01866	3.3
133.03416	1.6
145.03482	4.0
146.99611	2.9
149.01204	4.5
156.98192	1.7
157.03477	3.8
173.01416	1.9
173.02992	5.4
174.99144	4.6
175.04529	1.9
190.62842	1.5
191.02269	2.9
192.98665	1.5
193.00240	6.6
211.04933	2.7
217.00172	2.4
217.01988	7.1
219.01784	4.8
229.02008	3.2
235.03085	3.1
237.02762	8.6
281.05524	2.5
295.08829	3.9
337.08975	100.0
355.09216	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	337.0917
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	0.3
56.96524	0.2
60.91932	0.3
63.02365	0.5
65.03926	0.3
66.10585	0.2
67.05484	0.4
69.70202	0.8
69.70634	1.1
77.19880	0.2
79.05484	1.0
89.03402	0.5
89.03914	6.9
93.03360	0.3
95.04966	3.8
95.08601	0.4
104.97467	0.3
106.74155	0.3
107.04960	2.7
111.04429	0.4
117.03374	9.0
121.02879	0.7
135.04417	18.7
139.03894	1.0
145.02844	12.7
145.03835	0.4
146.03217	0.4
163.03900	100.0
164.04271	2.3
181.04955	1.8
286.96439	0.3
319.08099	0.4
337.10577	0.4
337.15442	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0915
Annotation	5-O-Caffeoylshikimic acid
Peak:m/z	Relative Intensity
50.53412	0.2
53.03945	0.5
55.05535	0.2
59.19396	0.2
65.03918	0.4
67.05472	0.2
70.37671	0.4
75.64058	0.2
79.05480	1.1
83.04962	0.4
84.09790	0.2
89.03908	6.8
92.36274	0.2
95.04963	4.0
107.04955	2.4
111.04447	0.7
117.03374	9.4
121.02870	0.8
134.77344	0.2
135.04410	19.4
136.04723	0.3
139.03893	1.4
145.02835	13.6
163.03893	100.0
164.04233	2.5
181.04912	1.5
186.05579	0.3
225.90614	0.2
240.28868	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1408
Annotation	Pyriferine C
Peak:m/z	Relative Intensity
52.59073	0.2
62.50182	0.1
63.94084	0.1
67.05489	0.5
71.59770	0.2
76.82778	0.1
79.05488	0.2
81.07034	0.5
91.05462	0.4
93.07065	0.2
95.04972	0.2
98.97573	0.4
105.07023	0.3
107.08595	0.5
109.06475	0.2
109.10139	1.6
110.10480	0.4
112.78917	0.2
113.80000	0.2
116.98605	0.5
119.08478	0.2
133.10060	0.2
134.99713	0.2
147.04404	0.7
148.04822	0.2
151.11200	0.2
218.99654	0.1
278.38104	0.2
337.14069	100.0
338.14404	4.8
355.14749	0.2
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
53.00285	0.7
53.03936	2.4
55.01852	0.9
55.05510	19.9
57.03436	20.1
57.07069	1.0
65.03927	1.9
67.05502	64.7
69.07064	16.6
71.04967	1.2
71.44174	1.7
73.53046	0.7
79.05488	30.1
81.07053	50.2
83.04984	1.5
83.08609	6.1
85.06547	2.0
91.04963	1.2
91.05479	15.9
93.07042	35.9
95.04968	3.8
95.08603	45.1
95.21592	0.9
97.06521	2.9
97.10138	1.5
105.07030	7.2
107.08588	15.4
109.06463	1.7
109.10152	16.1
111.08051	1.2
117.07022	3.2
119.08572	6.5
121.10137	12.3
123.08112	1.1
123.11674	4.5
124.83121	0.9
131.08560	3.9
133.10129	5.3
135.11676	8.5
137.09546	0.7
137.13249	1.6
145.10104	2.4
147.04507	1.0
147.11693	1.9
149.13254	3.8
159.11684	2.1
161.13257	2.7
173.13246	1.9
175.14821	1.4
205.05618	0.9
209.27124	0.8
257.72815	0.8
261.22049	1.9
305.97629	0.7
318.72568	0.7
320.44131	0.8
335.25790	100.0
336.26181	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	336.1664
Annotation	Isopentenyl adenosine
Peak:m/z	Relative Intensity
55.01872	1.1
57.03446	2.3
61.02916	0.7
69.03429	1.1
69.07065	6.9
70.11760	2.0
70.12106	0.7
70.94933	0.4
71.01367	0.6
73.02914	2.0
75.18336	0.4
77.48660	0.4
85.02897	4.5
85.81208	0.5
88.88171	0.4
97.02888	0.7
100.11292	0.6
109.02890	0.8
115.03954	0.4
119.03566	0.6
126.05519	0.7
127.03948	0.6
128.72369	0.4
133.04974	0.4
136.06183	100.0
137.04495	0.5
137.06610	0.9
145.05034	0.5
145.73201	0.4
148.06177	37.7
163.03943	0.5
175.84500	0.4
204.08672	6.7
204.12442	73.6
205.08940	0.4
205.12753	1.4
233.04422	0.4
336.13153	1.6
336.16647	39.1
337.07101	1.9
337.16861	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0686
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47780	2.7
50.90863	2.3
52.92910	2.0
56.96546	6.4
57.03417	2.2
60.05214	2.1
60.62551	2.2
61.02911	3.1
64.80814	2.3
65.28081	2.1
69.03386	4.4
69.62246	11.0
69.62664	7.0
73.02890	7.5
84.62312	2.4
85.02883	5.1
94.21706	2.6
97.02872	3.2
98.97567	6.1
112.99038	2.7
116.98563	2.8
119.01865	7.2
127.03874	2.6
131.00131	8.4
131.01880	7.0
134.99590	4.7
140.86856	2.5
145.03473	13.3
149.01164	6.7
149.02832	3.5
157.03394	7.6
163.03860	4.3
173.02879	7.6
175.04521	3.9
191.98808	2.4
194.54903	2.2
196.49359	2.4
217.01888	13.6
219.01657	3.4
229.01840	5.0
235.02908	6.9
237.02739	6.3
277.07635	3.3
295.08630	9.3
337.08804	100.0
338.09250	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	337.0812
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99750	2.5
51.02394	2.7
55.01867	13.2
56.05022	5.1
56.24273	2.5
56.96566	29.5
57.03442	5.2
58.06598	5.4
58.99580	3.3
60.04523	4.5
61.02911	4.7
66.61438	2.5
67.05521	2.4
69.03410	11.4
69.52014	6.3
69.52417	18.8
71.04986	4.2
73.02916	11.8
75.01432	4.5
76.02229	33.8
76.04001	21.8
81.03413	5.7
81.07031	4.8
82.02907	3.3
84.04494	40.2
84.96031	5.3
85.02892	22.7
86.00629	2.5
86.09698	7.4
87.01447	2.6
87.04459	5.1
88.02213	6.0
91.05479	7.1
93.07044	6.4
95.04977	3.4
97.02875	11.3
98.97575	40.6
99.05584	5.5
100.02194	22.6
100.03975	9.8
102.03748	8.4
103.06306	6.6
105.07036	3.9
107.04948	31.6
107.08554	4.6
108.05254	4.7
109.02878	2.9
110.97575	12.6
113.00606	4.3
115.00897	5.5
116.01656	4.6
116.98618	34.1
117.03387	4.6
119.04963	3.8
122.06100	3.2
127.03965	4.9
127.05025	10.7
127.94923	2.4
128.03406	5.2
128.98592	29.6
129.04199	2.8
130.03221	38.1
130.04984	22.2
130.08591	3.4
131.00179	9.1
131.04974	3.3
132.03568	7.2
134.99657	23.7
135.04417	4.2
137.05972	7.5
140.05919	2.5
142.03224	9.9
143.00203	3.2
145.01857	5.3
145.02870	3.6
145.04961	3.1
145.06078	6.6
146.99648	37.2
147.04364	3.9
147.07686	4.5
149.01224	12.0
151.07483	4.1
158.02689	40.9
158.99675	7.7
161.01321	18.9
162.02184	3.9
163.03886	22.6
165.00690	7.0
168.05197	13.2
170.99640	7.5
171.07690	14.5
174.25381	2.8
175.14351	4.6
177.00742	14.7
177.09926	2.8
179.04837	11.1
188.03783	6.6
189.00694	11.2
193.01788	3.1
202.04074	45.1
203.07475	3.8
204.59224	3.0
205.06372	15.5
205.09651	5.9
211.02802	8.3
212.08064	3.3
214.03993	3.5
215.07141	3.1
217.05327	2.9
217.09810	2.7
219.01753	35.7
232.05103	50.9
233.05927	27.4
235.02827	4.8
237.00435	5.5
237.02814	100.0
242.03418	3.8
243.08609	12.1
255.03889	8.4
260.04401	5.7
261.09683	3.1
263.58459	7.7
274.10159	3.0
289.04193	2.9
289.07303	18.2
295.08560	3.1
307.08371	29.5
312.29489	2.8
319.08026	3.3
337.05392	28.4
337.09650	18.3
337.12924	5.2
355.06927	3.9
355.36044	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	335.2579
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03927	3.7
55.05513	18.4
57.03447	22.3
62.70760	2.6
65.03947	3.5
67.05503	87.4
69.07070	21.6
71.04984	2.6
71.60057	7.0
71.60444	3.0
79.05492	33.7
81.07056	79.8
83.08616	8.4
91.05505	22.5
93.07044	46.8
95.08606	56.7
97.06500	3.8
102.65377	3.1
105.07014	10.8
107.08586	25.3
109.10155	24.3
117.06989	3.3
119.08604	6.9
121.10129	16.8
123.08027	3.8
123.11759	6.2
128.95567	3.2
131.08595	7.0
133.10123	6.4
135.11691	9.1
137.93228	3.0
145.10098	5.6
149.13345	7.3
161.13283	3.9
173.13196	3.6
198.45985	3.2
216.79126	3.4
261.22144	6.9
330.95926	2.9
335.25800	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2577
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03934	2.2
55.01844	0.9
55.05508	18.3
57.03434	17.1
57.07050	2.2
59.75801	0.6
62.47418	0.6
65.03927	2.4
67.05499	60.5
69.03394	0.6
69.07061	14.7
71.04981	1.7
71.62190	1.1
79.05485	30.8
81.07050	54.5
83.04971	1.7
83.08611	6.1
85.06514	1.8
89.59341	0.6
91.05472	15.4
93.07036	33.3
95.04973	3.9
95.08598	48.1
97.06519	3.6
97.10156	2.1
100.87856	0.6
105.07015	9.8
107.08583	14.3
109.06499	1.7
109.10149	18.4
117.06997	3.0
119.08575	9.8
121.10136	14.6
123.08115	1.1
123.11716	5.9
131.08557	4.5
133.10117	5.7
135.11691	9.8
137.09625	0.7
137.13245	2.0
138.40569	0.6
145.10127	4.2
147.11710	3.9
149.09633	0.9
149.13232	3.4
159.11737	3.5
161.13234	2.9
163.14810	1.4
173.13257	2.8
175.14806	1.0
177.16255	0.8
179.14220	0.7
181.53549	0.6
187.14838	1.3
243.21132	1.8
261.22150	5.1
317.24835	0.8
330.90134	0.8
335.25775	100.0
336.26025	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	335.2579
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
55.05508	14.2
55.85778	2.0
57.03433	18.4
57.07055	2.2
58.85942	2.0
64.31384	1.6
65.03922	2.4
67.05505	62.5
69.07060	17.1
71.60827	3.3
78.40073	1.8
79.05490	22.3
81.07055	62.4
83.08607	6.0
91.05479	16.3
93.07044	31.3
95.04961	4.2
95.08607	47.5
97.10206	2.2
105.07034	8.5
107.08614	19.3
109.10152	17.3
110.07108	1.9
117.07055	2.7
119.08582	8.8
121.10163	13.1
123.11704	6.7
131.08554	5.6
133.10136	6.0
135.11679	9.5
137.13254	2.1
145.10094	3.9
147.11690	5.2
149.13272	5.1
159.11688	3.4
161.13295	5.7
168.55637	1.8
173.13269	3.1
261.22241	5.1
262.43707	2.0
326.72366	1.9
335.25793	100.0
336.25800	4.5
357.63080	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2578
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03937	2.3
55.01868	0.9
55.05512	13.4
56.96553	1.3
57.03439	18.5
57.07065	1.8
65.03925	2.4
67.05503	57.6
69.07069	13.2
70.31732	2.5
71.04992	1.6
72.47462	0.6
73.61627	0.7
79.05491	28.1
79.76609	0.7
81.07056	52.5
83.04974	1.5
83.08615	5.3
85.06535	0.8
89.01189	0.7
91.05481	13.5
93.07046	31.4
95.04954	2.8
95.08604	41.5
96.08929	0.8
97.06523	2.0
97.10154	1.7
98.21382	0.8
99.08076	0.9
99.24766	0.7
105.07041	8.9
107.08594	18.9
109.06490	1.6
109.10149	17.9
111.08071	1.2
117.07025	2.3
119.04930	3.2
119.08569	8.0
121.10136	13.4
123.11686	6.1
125.09687	0.7
129.05482	1.4
131.08563	5.3
133.10130	6.1
135.11690	10.2
137.13232	2.5
145.10109	4.9
147.04413	8.6
147.11658	4.2
149.13263	5.3
159.11681	2.8
161.13266	4.5
163.14847	4.0
173.13245	4.4
175.14853	0.9
177.16386	1.6
187.14816	2.7
239.02299	2.5
243.21129	7.3
257.03342	2.8
261.22195	6.8
299.23648	0.9
317.24820	1.4
335.25790	100.0
336.26117	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1849
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63593	0.3
51.83591	0.3
55.05511	2.4
56.96561	0.5
57.03437	0.4
59.04987	0.7
65.03922	0.8
67.05498	3.2
69.03431	0.3
69.07067	10.1
69.52069	0.3
69.52362	2.9
71.04997	0.5
73.60416	0.4
79.05482	2.7
81.07058	3.8
83.04954	0.5
83.08612	0.9
91.05479	10.8
93.06464	0.6
93.07037	9.5
93.07616	0.5
95.04961	0.8
95.08608	4.5
96.62354	0.3
97.06532	1.9
98.98465	0.4
104.93927	0.3
105.07024	1.0
106.07401	0.4
107.08591	7.8
109.06538	0.3
109.10148	5.4
109.73668	0.4
119.04941	22.1
119.08523	0.8
120.05289	0.5
121.10149	0.6
123.11710	1.5
130.06468	0.4
133.10153	0.6
135.11690	8.1
141.12711	0.5
145.10066	0.5
147.04405	100.0
148.04729	2.2
149.05040	0.5
153.12741	11.5
163.03897	0.8
165.04344	0.4
165.05490	2.2
210.57767	0.3
239.02177	0.5
241.05353	0.3
257.03186	0.4
262.39755	0.3
299.16425	0.4
305.53754	0.3
317.17490	2.5
335.18652	0.9
335.25763	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1852
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	2.5
57.03436	0.6
59.04996	0.5
59.96541	0.3
65.03920	0.7
67.05505	3.2
68.78545	0.3
69.07067	9.3
70.85501	0.8
71.04996	0.5
79.05488	2.2
81.07057	3.4
83.04974	0.5
83.08604	0.5
91.04899	0.5
91.05478	9.6
92.04727	0.3
93.07040	8.1
95.04962	0.4
95.08605	4.2
97.06517	1.5
97.10117	0.3
105.07017	0.9
107.08590	6.5
109.06556	0.6
109.10153	4.1
119.04941	23.2
119.08627	0.4
120.05288	0.4
121.10084	0.3
123.11707	0.9
125.48779	0.3
131.08524	0.3
133.10109	0.4
135.11690	7.3
141.12749	0.3
147.04407	100.0
148.04762	1.8
153.12746	10.6
163.03931	0.4
165.05470	2.7
299.16360	0.3
317.17453	2.6
335.18533	0.5
335.25803	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	335.1851
Annotation	epi-Juruenolide C
Peak:m/z	Relative Intensity
53.03940	0.7
55.05513	4.0
57.07069	0.9
59.04982	0.9
65.03936	0.7
67.05513	2.7
69.07069	14.8
70.08005	2.3
71.04994	0.9
73.74683	0.5
79.05480	1.6
81.07041	4.5
83.04971	0.5
83.08620	1.6
90.24104	0.5
91.05479	9.7
93.07044	11.7
95.08615	6.3
97.06536	2.9
103.38377	0.5
105.07048	1.0
107.08597	10.3
109.06484	0.8
109.10160	6.2
119.04941	24.4
119.08593	0.6
123.11723	2.2
135.11685	12.2
147.04408	100.0
148.04739	1.2
153.12737	18.9
153.16121	0.5
163.03894	0.6
165.05524	3.8
226.53014	0.6
317.17416	3.8
335.18585	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.0827
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96554	4.3
61.90619	2.3
66.53519	2.2
69.18037	2.0
69.51327	16.2
69.51733	3.1
98.97578	5.0
100.73848	1.9
101.00871	7.2
109.13537	1.9
116.98581	3.6
119.01923	34.3
120.01970	2.7
121.02835	4.0
124.99105	3.8
127.02357	4.0
134.40163	2.1
135.46017	2.0
137.02951	10.8
138.03250	2.4
141.66052	2.0
143.00172	13.5
143.01866	2.9
145.03452	26.2
146.03674	4.0
146.99319	2.6
157.03474	5.9
161.01201	12.8
161.02943	3.6
169.03462	31.6
170.03532	2.6
171.05037	7.3
175.04454	2.3
176.02560	3.0
180.03787	3.7
185.02951	13.5
186.03084	2.4
187.04509	57.0
188.04648	6.8
189.02420	3.2
195.04948	2.4
197.03018	8.3
203.03976	8.2
205.05568	11.0
210.06154	3.2
211.04547	2.2
213.06061	2.7
215.04042	14.5
216.03984	2.4
221.03110	3.0
224.02715	3.3
229.02136	5.6
229.05583	19.0
233.03235	3.3
247.06631	13.7
257.05020	5.3
258.00497	3.7
270.99158	2.2
275.06113	100.0
276.06287	19.6
277.05969	3.2
282.03357	5.8
291.03680	2.7
293.07263	23.0
294.07455	3.3
295.03177	3.0
297.02545	2.6
298.32986	2.4
302.01190	10.5
302.51349	3.0
313.00302	2.4
313.04141	3.6
316.08643	4.4
354.44614	2.5
359.78391	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	1.1
57.03434	0.6
65.03929	3.0
67.05497	4.4
69.07064	100.0
70.07401	0.9
70.19981	2.5
76.43951	0.5
79.05511	1.4
80.05006	0.9
81.03425	0.7
81.07064	5.2
81.22710	0.5
82.06567	0.6
91.04237	0.7
91.05456	0.7
92.05006	3.7
93.05775	1.0
93.07034	1.1
94.06553	4.3
95.04969	1.0
96.08140	1.0
97.05904	1.2
97.06523	17.0
98.21535	0.7
104.99908	0.6
107.08556	0.7
108.04461	1.7
109.02877	1.6
109.06511	1.3
110.05997	0.8
119.03693	0.8
120.04470	1.0
121.05238	1.2
121.06487	0.7
122.06024	8.2
124.07596	1.9
125.05987	1.9
130.06554	0.7
131.07297	1.4
132.04475	0.6
132.08092	0.8
134.06105	0.9
137.05991	3.6
137.09627	1.4
138.05476	5.5
140.07056	8.5
141.07893	0.9
143.07280	0.6
144.08080	2.7
145.08868	3.1
145.10167	1.6
146.09641	3.7
147.06812	1.0
148.03920	1.7
150.05495	83.9
151.05843	1.1
152.03452	1.1
152.07027	1.3
155.07259	0.8
155.08514	0.7
157.08893	2.7
157.09999	0.7
158.09584	0.8
159.10429	1.3
160.07553	1.0
160.11180	1.3
161.08342	4.1
162.09178	3.2
164.03412	1.4
165.04195	1.2
166.04990	33.9
168.06544	1.9
170.09659	0.6
172.07530	1.7
172.11168	3.6
173.08382	2.5
173.09702	0.6
174.09108	1.6
174.12787	6.4
176.03407	8.5
178.05011	2.5
182.04390	1.0
185.08379	1.6
186.07611	1.9
187.09988	1.1
188.07042	0.7
188.10707	1.6
190.08525	1.6
190.12282	5.6
194.04494	3.7
198.09258	1.1
199.06262	1.1
200.07011	1.2
200.10733	7.7
202.12244	8.1
204.06494	0.7
213.10233	1.7
216.10170	4.4
218.08209	1.6
218.11748	28.0
219.12160	0.9
226.08722	1.4
227.11760	1.1
228.10197	15.5
229.10399	0.8
229.13248	1.7
234.11244	3.4
243.11307	1.5
244.09654	1.7
245.12819	1.5
246.11244	26.0
254.08131	0.8
255.11354	1.1
256.09760	1.6
257.09320	1.2
261.08569	1.0
261.12537	0.8
262.10913	0.6
271.07840	0.8
271.10754	4.6
272.09177	3.8
273.12402	3.8
274.10654	2.7
287.10233	8.4
288.08417	0.7
289.11816	12.6
290.10168	2.4
291.13342	1.3
299.10263	6.0
317.11304	31.4
318.09497	1.2
335.12360	33.0
336.12714	1.4
349.10828	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.201
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.3
55.05507	1.3
56.96568	1.0
57.07066	3.9
57.53099	1.1
58.07800	0.8
67.05499	2.6
68.67592	1.0
69.07066	2.9
69.96503	6.3
79.05476	4.2
79.26563	0.8
81.07048	4.1
91.05483	12.3
92.05837	1.0
93.07039	15.9
95.04964	1.0
95.08614	6.0
97.06541	7.2
98.21381	1.8
105.07020	3.9
107.08588	32.0
108.08900	1.0
108.11436	1.0
109.06521	1.4
109.10159	11.2
111.08051	1.9
119.04932	18.6
119.08595	2.6
123.11710	4.7
135.11688	100.0
136.12076	1.8
147.04407	80.8
148.04753	3.2
153.12740	21.1
163.03923	1.5
164.04146	1.6
165.05499	2.3
165.12723	1.5
189.72618	0.9
190.85620	0.9
204.97774	1.0
239.02298	1.1
257.03357	2.3
335.22131	6.2
335.25623	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.2013
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14779	1.5
55.05499	2.1
56.96560	3.6
57.07065	3.2
58.06584	1.6
59.04984	1.8
61.91901	1.6
65.03950	1.7
67.05487	3.8
69.07078	2.4
69.57375	10.3
73.50990	1.4
73.91761	1.6
79.05481	4.3
81.07053	7.9
91.05474	13.2
93.07037	17.3
95.08592	7.4
97.06550	6.8
105.07011	4.2
107.04956	1.9
107.08591	33.2
109.10159	12.1
111.08067	2.2
119.04946	19.4
119.08582	4.2
120.05327	1.9
123.11688	2.1
135.11693	100.0
136.11980	1.9
147.04414	92.1
148.04741	10.6
149.04982	1.9
153.12749	22.3
163.03897	2.5
164.04271	2.3
165.05479	2.2
239.02391	2.2
257.03357	2.4
311.06491	2.1
333.76093	2.5
334.23962	2.0
335.12689	1.9
335.21918	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	334.201
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.3
55.05507	1.3
56.96568	1.0
57.07066	3.9
57.53099	1.1
58.07800	0.8
67.05499	2.6
68.67592	1.0
69.07066	2.9
69.96503	6.3
79.05476	4.2
79.26563	0.8
81.07048	4.1
91.05483	12.3
92.05837	1.0
93.07039	15.9
95.04964	1.0
95.08614	6.0
97.06541	7.2
98.21381	1.8
105.07020	3.9
107.08588	32.0
108.08900	1.0
108.11436	1.0
109.06521	1.4
109.10159	11.2
111.08051	1.9
119.04932	18.6
119.08595	2.6
123.11710	4.7
135.11688	100.0
136.12076	1.8
147.04407	80.8
148.04753	3.2
153.12740	21.1
163.03923	1.5
164.04146	1.6
165.05499	2.3
165.12723	1.5
189.72618	0.9
190.85620	0.9
204.97774	1.0
239.02298	1.1
257.03357	2.3
335.22131	6.2
335.25623	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.5
55.01882	2.8
56.96564	1.1
57.03433	4.8
61.02924	11.2
67.05935	0.9
69.03430	22.1
71.01357	1.2
71.04988	1.8
71.57803	2.6
73.02905	6.0
81.03413	7.3
85.02905	96.7
86.03247	2.9
87.04493	2.5
91.03945	4.1
91.05484	9.9
97.02882	14.0
98.97595	2.0
99.04468	4.8
101.02391	1.5
103.03941	3.3
109.02882	5.1
115.03954	1.7
116.98595	1.2
119.04955	11.1
121.06512	13.4
127.03915	29.0
127.04805	2.0
129.03345	1.0
137.05977	100.0
138.06317	3.4
145.04958	41.6
151.07491	1.5
155.07027	11.4
156.10161	1.4
162.07629	2.3
163.06026	15.4
171.48247	1.1
179.07016	1.1
180.08650	10.3
185.05949	1.2
187.07532	2.1
196.08223	1.7
203.06984	1.9
205.08638	1.9
221.07965	1.2
237.02914	1.6
245.08000	1.3
263.09097	1.9
279.63312	1.4
281.10229	3.3
285.89026	1.1
316.13919	1.7
333.18875	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	1.1
56.26730	0.7
56.96556	1.7
57.03430	1.1
57.07040	1.0
59.86812	0.6
66.26762	0.6
67.05493	2.5
68.41272	0.6
70.88314	2.2
79.05492	6.0
81.07042	2.9
89.03905	4.6
91.05479	4.5
93.07036	11.1
94.54020	0.8
95.04976	1.2
95.08611	1.5
98.98459	1.6
105.07024	3.2
107.04946	1.7
107.08596	11.5
109.10168	5.4
116.44565	0.7
117.03376	5.7
119.04924	4.0
119.08598	1.0
121.10108	1.6
122.67461	0.8
133.10173	1.4
135.04420	13.5
135.11691	10.0
145.02829	11.3
147.04411	18.1
148.04776	4.3
153.12737	1.0
163.03897	86.8
164.04282	2.8
176.98875	0.7
181.04953	8.4
239.02249	1.2
247.13063	2.7
263.90854	0.7
304.04358	0.8
309.42081	0.9
315.19260	6.5
333.20364	100.0
334.13364	0.9
334.20712	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	333.1905
Annotation	9-Hydroxylinaloyl glucoside
Peak:m/z	Relative Intensity
53.03939	4.6
55.01864	4.1
55.05505	4.8
57.03441	9.8
57.07075	17.0
59.05008	11.3
59.05244	2.1
61.02929	12.8
61.49272	1.9
67.05497	11.1
69.03423	33.1
69.07059	12.7
69.72292	11.3
71.04987	10.0
73.02911	5.0
77.65765	1.9
79.05493	3.3
81.03409	11.3
81.07040	7.0
83.08617	4.6
85.02901	99.7
85.06522	13.9
86.09698	6.9
87.04462	2.6
87.10020	4.0
90.36861	2.1
91.03937	4.6
91.05483	5.0
93.07037	6.0
95.04964	3.1
95.08601	66.4
97.02892	28.2
97.06528	7.4
98.98470	11.6
99.04443	6.9
99.08096	14.4
107.08575	12.3
108.95409	1.8
109.02885	9.9
109.06555	9.9
109.10147	26.4
111.08070	9.5
111.11681	2.8
113.09637	99.8
115.03947	2.4
121.06521	3.3
123.04433	4.1
127.03919	19.5
127.11182	51.1
135.11665	20.0
137.05940	13.8
137.13254	8.0
145.04964	27.7
147.04425	2.4
151.07532	4.4
152.07854	2.5
153.12732	100.0
155.14302	16.9
163.03883	3.4
167.07037	9.5
169.06645	2.0
169.08147	2.7
169.12236	4.1
171.13799	68.8
174.13226	2.3
177.12700	3.3
202.12631	3.2
213.14778	3.2
221.11633	2.5
255.06406	2.7
283.10080	2.0
288.09705	2.7
289.13461	3.9
301.11819	7.9
315.13574	3.0
333.14371	5.0
333.19049	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	333.1906
Annotation	9-Hydroxylinaloyl glucoside
Peak:m/z	Relative Intensity
55.05502	3.8
56.96556	0.8
57.03442	1.6
57.07049	1.1
57.54663	0.7
58.87196	0.8
59.04998	2.1
60.80119	0.9
61.02919	2.1
64.32006	0.7
67.05491	3.4
69.03424	5.8
69.07066	12.5
70.13535	4.0
71.04989	2.2
76.97029	0.7
79.05497	8.6
81.03405	2.8
81.07055	9.3
83.04978	1.0
83.08602	3.9
85.02906	14.9
85.06486	0.9
91.05490	5.1
93.07040	35.7
94.07378	2.7
95.04945	2.4
95.08609	20.7
96.08949	1.9
97.02876	3.4
97.06532	35.6
98.97566	1.5
98.98476	6.3
99.04436	1.1
99.08131	0.8
105.07034	1.6
107.08595	40.4
108.08923	2.1
109.02853	1.5
109.06493	1.2
109.10159	16.8
111.08070	1.7
111.11723	1.7
116.98662	1.0
119.08591	1.2
121.06522	1.1
121.10164	0.9
122.03671	1.1
123.04385	1.8
123.08104	1.5
127.03909	2.2
131.04916	1.0
133.10149	1.1
135.11688	62.6
136.12033	4.2
137.02342	3.5
137.05969	10.1
141.09637	1.0
145.04968	2.0
153.12737	100.0
154.13060	2.7
161.09633	1.0
163.03847	1.3
165.05530	0.8
167.07034	10.2
171.13800	31.7
176.98962	1.2
181.06436	1.0
198.90231	0.9
249.04468	0.9
266.06488	1.7
273.03946	6.9
277.56894	0.9
288.09888	2.7
333.05811	1.2
333.20792	0.9
359.31989	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1906
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	2.5
55.01875	1.1
55.05492	2.9
57.03429	2.5
57.07076	1.5
58.06574	1.3
59.04990	1.9
60.04484	0.9
61.02922	1.8
67.05500	3.9
69.03409	5.0
69.07059	15.0
70.22514	4.4
71.04974	3.2
73.02921	1.2
77.52218	0.8
79.05498	9.1
81.03415	3.3
81.07048	7.0
83.04972	1.6
83.08607	2.7
85.02438	1.0
85.02906	15.2
88.39884	0.9
91.03909	1.1
91.05449	4.4
93.07036	33.9
93.07621	1.8
94.07375	3.1
94.86729	0.9
95.04973	1.7
95.08600	17.8
96.08894	1.3
97.02892	4.0
97.06529	30.7
98.21468	1.2
98.97554	1.5
98.98465	6.5
99.04476	0.9
105.07014	2.1
107.04929	1.1
107.07864	2.0
107.08590	41.3
108.08924	2.8
109.02866	1.9
109.06515	1.5
109.10157	17.9
111.08145	1.0
111.11669	1.7
119.08571	1.7
121.10142	1.2
123.08026	1.1
125.47292	0.9
127.03894	2.4
127.81492	1.0
131.04921	1.4
131.08548	1.5
135.11681	61.9
136.12047	4.9
137.02335	3.3
137.05968	10.8
143.70645	1.1
145.04936	2.0
145.88564	0.9
147.04407	1.1
153.05507	0.9
153.12738	100.0
154.13091	3.3
155.08487	1.0
167.07019	12.2
171.13802	32.0
181.06371	1.4
227.06856	1.0
255.06477	2.0
267.70065	0.9
273.03888	4.3
288.09900	3.5
297.12366	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1905
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85206	2.9
51.16894	2.9
53.03938	6.3
55.01860	8.2
55.05504	16.8
57.03424	14.5
57.07070	8.0
59.05001	4.0
61.02917	6.2
67.05495	10.2
69.03439	26.6
69.07072	19.6
70.32569	11.3
71.01347	6.0
71.04989	41.6
73.02911	11.0
79.05486	16.6
81.03409	9.5
81.07053	62.5
82.07388	15.0
83.04961	4.9
83.08605	5.5
85.02902	100.0
87.04450	4.7
87.65835	3.1
91.05474	25.4
93.07033	45.2
95.04973	10.0
95.08602	22.7
97.02873	20.8
97.06541	8.7
98.98479	19.6
99.04487	4.9
103.03935	6.1
105.07017	41.2
107.04967	7.6
107.08599	51.6
109.02887	6.9
109.06496	13.5
109.10151	13.3
111.04433	4.5
115.03877	7.7
117.07037	7.3
119.08572	34.6
119.91014	3.0
121.06482	9.6
121.10159	6.4
123.04432	5.4
123.08052	7.8
127.03902	20.1
129.07007	6.6
131.08568	21.3
133.04951	9.0
133.06441	6.4
133.10156	4.2
135.08076	7.3
135.11693	43.1
136.12038	12.1
137.06036	16.2
137.13235	15.4
138.13596	11.7
141.12769	5.1
143.08554	11.9
145.04976	10.1
145.10156	17.0
147.04393	4.5
147.08034	32.8
148.49161	3.4
149.05991	8.7
149.09576	8.7
151.11180	9.6
153.12743	69.7
155.08556	5.1
157.10112	5.0
159.08064	9.7
159.11682	7.3
161.09642	5.5
161.13234	4.1
163.03928	10.4
163.05942	4.4
165.12737	42.8
167.07066	8.7
171.11664	4.6
171.13771	8.5
173.09621	24.1
173.13264	10.2
175.07523	11.8
175.11201	3.6
176.98889	3.8
177.12749	12.0
183.11630	6.7
189.09189	4.1
189.12730	10.7
191.10602	7.5
193.08620	4.5
201.12703	5.4
205.12302	3.5
207.13829	3.4
219.13771	8.2
231.13760	12.4
235.03320	3.5
243.13811	8.0
261.14966	15.9
279.15894	15.1
288.09818	3.8
297.17023	14.3
315.18057	29.6
337.14948	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1905
Annotation	Betulalbuside A
Peak:m/z	Relative Intensity
51.00923	1.4
53.03939	1.7
55.01857	2.7
55.03692	1.4
55.05500	5.7
57.03432	8.3
57.07074	3.9
59.05010	2.4
61.02926	5.4
61.38736	1.2
63.27216	1.3
67.05502	12.6
69.03429	20.5
69.07068	14.0
71.01354	2.7
71.04993	5.0
71.59013	2.5
73.02908	5.9
76.92242	1.3
79.05494	31.3
81.03418	12.2
81.07057	19.3
83.04964	4.7
83.08617	3.3
85.02905	86.3
87.04478	2.7
91.03893	1.5
91.05479	16.8
93.07045	58.7
95.04984	8.7
95.08600	9.2
97.02905	19.0
97.06543	6.8
98.98465	5.9
99.04453	4.5
101.02382	3.5
103.03915	4.5
105.07040	23.0
107.04978	3.4
107.08596	54.3
109.02864	9.3
109.06525	3.2
109.10135	9.1
111.04428	4.4
115.03931	5.5
115.05435	1.7
117.05506	2.8
117.07016	9.8
119.08590	8.7
121.06514	4.1
121.10138	21.1
123.04417	2.0
123.11703	10.0
124.17689	1.4
125.13227	2.9
127.03925	21.1
129.05453	3.3
129.07008	10.0
131.08554	9.5
133.04942	1.6
133.06485	3.1
133.10121	22.0
135.08012	2.3
135.11693	100.0
136.12057	2.2
137.05910	3.5
137.13182	1.4
141.12729	1.6
143.08574	4.3
145.04948	19.8
145.06476	2.6
145.10139	10.4
146.20834	1.4
147.08061	4.1
147.11697	14.8
147.37396	1.3
149.09669	1.5
149.13264	5.5
151.11201	10.4
153.12733	13.2
155.08536	2.8
157.10139	4.0
159.08076	2.4
159.11745	6.8
161.09549	2.0
161.13254	6.4
163.03941	2.3
163.06023	10.3
163.11153	3.4
165.12712	5.6
167.07053	2.6
167.10721	4.7
171.11664	4.9
171.13870	2.5
173.09639	1.9
173.13278	3.1
175.06030	2.2
175.11153	8.3
177.12752	11.1
183.08009	3.1
183.11598	1.4
187.07448	1.4
187.11110	4.9
187.14822	2.0
189.12798	6.1
193.12250	7.1
197.13214	3.7
201.12796	2.3
203.14478	2.9
207.12009	1.6
207.13838	4.9
215.14343	5.4
219.13829	7.0
231.13710	7.9
233.15300	6.1
237.14890	2.0
243.13777	9.2
249.14944	7.1
251.16519	1.9
261.14859	21.9
262.15222	1.6
279.15927	29.8
297.17007	26.2
315.17996	11.8
333.19092	25.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1905
Annotation	Betulalbuside A
Peak:m/z	Relative Intensity
55.01864	10.4
55.04408	5.4
55.05513	36.4
57.03443	24.4
57.07076	25.7
59.04999	9.1
60.23521	4.6
61.02927	10.3
67.05484	13.9
69.03423	34.3
69.07072	25.7
71.04986	49.3
71.57977	6.2
71.58331	5.6
73.02923	16.9
79.05481	13.6
79.64493	4.1
81.03405	8.0
81.07058	55.3
83.04985	7.7
85.02899	90.8
87.04521	5.7
91.05489	18.8
93.07030	48.1
95.04954	15.8
95.08608	46.0
97.02885	19.1
97.06538	17.3
98.98479	9.1
105.07019	34.9
107.04904	5.5
107.08607	44.1
109.02885	13.6
109.06529	13.6
109.10153	15.9
115.03934	13.3
117.06985	10.4
119.08562	35.9
121.10128	10.3
123.04435	8.4
123.08054	11.2
125.13124	4.4
125.74288	5.3
127.03906	11.8
127.11182	7.6
129.07094	5.3
131.08583	18.1
132.14801	4.5
133.04967	23.5
133.06439	7.8
133.10118	7.0
135.08070	6.4
135.11684	36.9
137.05972	9.6
137.13217	28.8
143.08559	13.0
145.04947	6.5
145.10132	16.0
147.08080	14.7
147.11667	8.1
149.09581	7.3
153.12740	100.0
153.13940	7.7
155.14331	10.0
159.11700	9.3
163.11258	6.7
165.12775	87.9
167.07056	11.0
171.13777	10.8
173.09624	24.6
173.13196	8.5
175.07452	6.0
177.12782	16.6
189.12813	12.9
191.10704	6.0
201.12682	9.4
207.13751	11.0
219.13831	15.3
243.13715	11.3
261.14911	17.3
279.15961	19.4
290.61960	4.7
297.16907	13.8
315.17966	33.1
342.96558	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	333.1906
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	14.2
55.05509	24.5
57.03437	19.5
57.07080	15.2
59.04992	6.2
61.02916	8.0
61.85916	2.8
65.03951	3.8
67.05499	7.6
69.03422	26.8
69.07066	32.7
69.59815	2.6
70.98767	9.1
71.04987	44.5
73.02920	18.4
73.06549	4.7
79.05487	14.0
81.03404	10.5
81.07056	48.9
83.04975	6.9
83.08595	4.8
85.02902	99.8
86.09685	6.1
87.04474	5.7
91.05478	20.7
93.07038	41.9
95.04973	10.7
95.08603	32.9
97.02878	18.1
97.06526	10.4
98.97573	4.0
98.98460	19.6
99.04449	5.7
103.03926	7.5
105.07024	31.0
107.04968	5.4
107.08594	60.9
109.02883	5.7
109.06496	18.9
109.10136	13.9
111.08073	6.9
115.03920	15.2
115.05416	3.6
117.07023	7.2
119.08578	49.4
121.06493	9.1
121.10132	7.2
123.04471	3.8
123.08037	8.9
125.13230	6.7
127.03908	21.7
128.06239	5.1
129.05360	4.2
129.06996	3.8
130.07808	3.1
131.04921	6.7
131.08563	22.7
133.04953	21.4
133.06496	6.7
133.10129	5.7
135.04428	3.0
135.08058	5.7
135.11674	39.7
137.05984	23.0
137.09637	4.6
137.13248	25.6
143.08531	9.0
145.04941	11.1
145.10071	21.9
147.04320	3.2
147.08015	19.7
147.11671	7.4
149.09639	7.1
151.11180	7.3
153.12738	100.0
155.08513	4.2
155.14307	5.8
159.08014	9.0
159.11670	7.4
161.09633	6.0
163.03918	3.3
163.05980	7.1
163.11227	8.1
165.09044	3.6
165.12756	80.5
167.07068	15.0
171.13873	5.2
173.09598	17.3
173.13181	8.4
175.07568	5.0
175.11189	5.3
177.12747	19.7
179.14162	3.3
183.08008	3.8
189.09151	3.9
189.12773	12.1
191.10687	6.8
193.08485	3.6
195.13765	5.1
201.12706	7.2
207.13768	6.9
211.09595	3.9
215.14255	3.2
219.13805	14.2
231.13789	4.8
243.07016	6.0
243.13809	10.8
261.14844	22.3
279.15903	14.7
288.10028	5.2
297.16904	14.6
315.17987	34.5
333.10880	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	333.1904
Annotation	Betulalbuside A
Peak:m/z	Relative Intensity
50.83764	4.4
53.03951	4.5
55.01858	6.4
55.05501	18.5
57.03431	19.4
57.07070	9.9
59.04992	5.2
61.02907	9.4
67.05497	8.7
69.03421	23.0
69.07057	22.0
71.03574	11.6
71.03944	6.9
71.04995	45.0
73.02917	8.5
79.05482	12.6
81.03413	13.3
81.07050	33.9
85.02899	100.0
91.05479	18.7
93.07045	42.6
95.04936	5.1
95.08615	23.5
97.02885	16.4
97.06522	6.9
98.98445	6.1
105.07027	35.1
107.08583	40.2
109.02879	7.5
109.06476	9.8
109.10147	6.8
114.56146	3.9
115.03966	7.2
117.07077	7.7
119.08548	31.5
121.06505	4.9
121.10152	5.2
123.08090	6.4
125.13285	6.6
127.03941	12.3
129.07031	5.9
130.53076	4.4
131.08611	22.3
133.04939	11.7
133.10133	6.9
135.08076	5.9
135.11674	34.7
137.13258	14.4
143.08574	11.5
145.04918	10.9
145.10110	23.1
147.08008	30.8
147.11687	10.2
149.09535	8.2
149.15027	5.0
151.11176	7.7
153.12764	56.3
159.07977	9.6
159.11549	6.8
161.09573	4.7
162.05484	7.3
162.10686	5.0
163.06024	6.0
163.11165	5.5
165.12741	49.1
171.08076	6.7
173.09648	21.0
173.13281	7.9
175.07561	7.3
177.12770	9.5
183.11771	6.3
189.12697	10.4
201.12836	10.0
219.13741	6.9
231.13834	12.2
243.13727	10.7
261.14871	18.3
279.16028	12.4
297.16916	19.0
315.17905	32.7
342.05493	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	333.1695
Annotation	Marmin
Peak:m/z	Relative Intensity
51.36135	0.4
53.03929	0.9
55.05502	1.6
56.43372	0.4
58.65975	0.4
59.04998	1.0
61.67431	0.4
63.02369	0.4
65.03924	0.5
67.05512	2.4
69.07059	2.1
70.80198	1.4
71.04597	0.4
71.04987	7.0
72.57842	0.4
73.06536	1.2
79.05495	6.1
81.06576	0.7
81.07054	15.0
83.08614	1.6
85.06533	1.1
89.03905	4.0
91.05467	4.6
93.07040	16.6
95.04967	1.1
95.08621	2.5
97.06549	1.9
98.98445	0.9
105.07025	1.9
107.04987	2.4
107.08597	13.7
108.08869	0.4
109.10139	2.7
115.23999	0.4
117.03369	7.4
119.04947	2.2
133.10124	0.7
135.04413	16.5
135.10674	0.9
135.11688	15.0
145.01749	0.8
145.02847	12.7
147.04396	7.7
148.04753	1.6
153.12749	20.5
154.13069	0.6
163.03900	100.0
164.04222	3.3
181.04918	2.4
186.05460	0.6
243.08961	0.6
315.16061	2.9
333.16904	6.7
342.85577	0.4
351.18878	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1694
Annotation	Marmin
Peak:m/z	Relative Intensity
55.05514	1.7
61.23746	1.4
67.05489	1.6
69.07069	2.8
71.44080	3.2
71.80611	1.4
79.05479	12.6
79.78738	1.6
81.07047	2.1
82.96809	1.5
89.03922	4.8
89.31895	1.4
91.05442	3.8
93.07031	29.4
98.98506	1.4
105.06977	1.6
107.04933	2.3
107.08590	62.3
108.08932	2.3
109.06430	1.9
109.10149	4.8
117.03374	6.6
127.07228	1.5
135.04416	17.9
135.11687	93.1
135.30643	1.3
136.12007	2.4
138.74333	1.4
139.62627	1.4
145.02861	11.8
147.04399	5.7
153.12744	1.4
163.03900	100.0
181.04959	2.6
239.02278	1.7
248.17842	1.4
285.74255	1.4
315.15875	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1696
Annotation	Chrysotobibenzyl
Peak:m/z	Relative Intensity
53.96453	0.6
55.05511	0.9
64.87995	0.7
65.03943	0.8
67.05502	3.2
69.03429	0.7
69.07067	0.9
71.59893	1.5
79.05485	1.4
81.03407	1.5
81.07054	4.0
88.98338	0.7
91.04955	1.3
91.05479	13.6
91.26463	0.8
93.07053	2.8
95.04956	2.8
95.08613	1.8
97.02785	0.7
98.97541	0.8
98.98478	5.4
105.07028	11.5
107.08594	23.0
109.02879	1.3
109.06512	1.7
109.10156	2.0
119.04942	18.8
119.08585	0.9
121.06468	1.0
121.10153	5.1
122.03622	1.9
123.04419	2.4
123.11713	2.0
124.05172	0.9
127.03893	0.8
133.10129	8.4
135.11674	1.0
135.20938	0.6
137.05981	26.2
138.06313	1.0
143.25574	0.9
147.04407	100.0
148.04739	2.2
151.07500	1.2
151.11172	3.0
153.05437	1.1
163.03952	1.0
165.05449	3.5
165.06813	0.8
167.07040	29.5
168.07361	1.1
179.06915	0.8
181.08569	1.0
182.07271	0.7
183.08047	1.1
184.05063	0.8
194.47244	0.8
211.07483	1.2
227.07008	2.4
239.07077	1.0
243.10170	1.0
255.06679	0.9
271.09683	1.4
288.09921	15.1
301.10703	0.9
303.12057	3.7
315.12674	1.1
315.15909	4.7
334.16797	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1694
Annotation	Gibberellin A4
Peak:m/z	Relative Intensity
50.19990	0.6
55.05499	1.7
57.03423	1.2
67.05495	1.9
69.07056	3.4
71.04980	1.5
71.34229	1.3
79.05136	0.6
79.05495	7.6
81.07044	3.3
83.04971	1.1
83.08601	0.9
89.03907	2.7
91.05463	2.3
93.07040	15.6
95.04978	1.0
95.08571	3.0
97.06537	1.3
97.10146	0.6
105.95695	0.6
107.04955	1.7
107.08590	20.6
109.10149	6.4
117.03384	5.2
119.04920	1.0
135.04419	12.6
135.11691	25.6
136.12079	0.8
145.02864	9.7
147.04430	3.8
153.12752	5.0
163.03902	100.0
164.04265	2.1
181.04959	25.5
182.05350	0.8
198.31311	0.6
315.15887	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1695
Annotation	Gibberellin A4
Peak:m/z	Relative Intensity
53.03944	0.7
55.05497	2.5
55.78248	0.6
59.04994	2.0
67.05492	2.6
69.03407	1.4
69.07050	2.1
70.81909	2.6
71.04974	3.2
79.05489	4.4
79.83333	0.6
81.07056	10.7
83.04964	1.1
83.08587	1.0
88.07592	0.8
89.03915	3.5
91.05476	11.0
93.06471	1.3
93.07037	20.4
94.39664	0.6
95.04948	2.6
95.08598	5.4
95.11536	0.6
97.06535	1.6
98.98489	3.9
102.16328	0.9
105.07005	2.4
107.04935	1.7
107.08590	16.0
109.06495	1.7
109.10181	4.4
111.08072	12.6
117.03379	4.1
119.04934	16.6
121.10157	0.7
123.04459	1.1
123.11698	3.3
127.58350	0.7
133.10089	1.2
135.04410	14.9
135.11693	17.6
135.66385	0.8
145.02841	7.7
147.04404	76.3
148.04749	2.5
151.11171	4.1
153.12747	3.5
161.17595	0.7
163.03902	100.0
164.04251	3.8
165.05510	6.5
167.10622	0.9
169.12279	1.2
181.04955	11.1
186.05539	0.7
307.85861	0.7
315.16028	1.1
333.16904	11.5
333.20450	1.1
333.23984	0.9
334.29410	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1694
Annotation	Asperfuranone
Peak:m/z	Relative Intensity
55.05508	2.4
67.05506	12.2
69.07066	8.1
70.08734	3.9
70.09153	6.2
75.72672	2.1
79.05508	4.8
81.07062	4.6
81.67909	2.0
89.03909	4.8
91.05487	7.1
93.07037	26.2
95.08612	14.9
97.06513	2.6
107.08605	22.0
109.10156	96.8
117.03391	5.8
120.43481	2.0
135.04440	10.0
135.11708	26.5
145.02849	10.1
147.04433	6.0
151.11259	2.6
153.12746	23.5
163.03908	100.0
164.04254	2.6
181.04958	27.8
228.11690	2.1
240.14832	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	333.1694
Annotation	Gibberellin A4
Peak:m/z	Relative Intensity
55.05507	3.6
59.04977	0.7
67.05473	1.8
69.06723	1.0
69.07066	11.8
71.04996	4.9
71.26273	0.9
71.26608	1.0
79.05513	3.1
81.07078	2.9
83.04980	8.6
89.03896	0.8
91.05042	0.6
91.05482	6.2
93.07034	7.4
95.04977	1.0
95.08601	1.5
97.06530	7.6
103.04554	0.6
105.07012	1.7
107.08592	8.6
108.08867	0.7
109.06496	0.9
109.10168	3.3
110.91460	0.6
115.78708	0.6
117.03364	1.1
118.74433	0.6
119.04942	17.4
120.05233	0.9
121.10096	0.8
123.11668	1.7
133.10152	3.2
135.04402	3.4
135.11691	3.3
141.20070	0.6
144.03554	0.7
145.02834	1.7
147.04402	100.0
148.04750	4.5
149.05122	0.7
151.11189	3.0
153.12767	1.7
163.03896	21.3
164.04276	0.9
165.05518	4.5
169.12300	1.4
176.58487	0.6
181.04976	4.4
204.51192	0.6
219.10120	7.8
247.09506	0.7
315.15836	2.0
321.55063	0.7
324.98367	0.6
333.16959	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	333.1331
Annotation	Epicatechin 5,7,3'-trimethyl ether
Peak:m/z	Relative Intensity
51.21648	0.8
55.40434	0.7
58.31899	0.8
61.76292	0.7
70.75585	1.8
70.75916	0.8
78.04719	2.8
79.05502	2.4
81.07084	1.1
91.05488	2.9
93.07055	1.2
94.04205	2.1
95.04966	1.4
98.98457	1.5
103.05503	1.3
106.04179	2.1
107.04999	0.9
118.17574	1.0
119.04936	1.1
121.06531	0.9
122.03661	7.7
123.04430	6.5
124.05186	2.0
131.04948	1.3
134.03642	0.8
135.04433	1.2
137.05977	100.0
138.06337	1.9
147.04430	3.2
149.05975	1.3
151.07556	3.5
152.04715	2.1
152.06136	0.9
152.07870	1.2
153.05551	1.4
153.06996	2.1
161.06049	2.1
163.03912	1.4
163.07529	1.3
165.07008	2.7
167.07043	99.2
168.05704	1.3
168.07387	1.7
181.06581	1.1
183.08008	4.1
184.05191	1.2
195.08044	1.0
196.05225	1.2
199.07579	0.9
207.04417	0.9
211.07553	3.1
213.05444	1.2
223.03929	1.4
227.06984	7.0
228.07573	1.0
239.07115	1.5
243.10217	2.4
245.08047	1.0
255.06569	2.7
271.09628	3.9
283.09625	3.4
288.09906	47.6
299.36597	0.8
303.12207	11.1
315.12326	2.7
333.06091	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.6
53.96474	0.6
55.05495	1.7
62.50556	0.6
67.05495	2.7
69.07076	3.7
70.74798	0.6
71.04980	0.9
71.33218	0.9
79.05486	6.8
81.07043	2.9
83.04958	1.2
83.08632	0.6
83.89967	0.6
89.03900	3.8
91.05468	2.3
93.07043	14.9
95.04990	0.8
95.08620	3.4
96.87457	0.6
97.06494	1.8
105.07014	0.8
107.04935	1.0
107.08591	17.5
109.10150	5.1
110.07242	0.6
111.08014	0.6
114.68227	0.6
117.03384	5.5
135.04410	13.2
135.11687	22.9
145.02847	8.6
147.04414	3.5
147.05359	0.6
153.12717	4.3
163.03900	100.0
164.04257	2.6
181.04953	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	333.1694
Annotation	Asperfuranone
Peak:m/z	Relative Intensity
53.03929	0.4
54.66707	0.3
55.05499	0.5
57.03444	0.3
57.07064	0.3
59.04998	1.9
65.03913	0.7
67.05504	4.6
69.07060	1.0
70.87545	0.8
71.04993	0.4
79.05515	1.4
81.07055	8.7
82.07400	0.4
85.02910	0.3
91.05479	8.2
93.07041	4.8
95.04970	4.2
95.08620	1.3
96.36960	0.3
97.06516	0.5
98.98476	1.3
105.07027	2.0
107.08591	8.4
109.06513	10.7
109.07256	0.6
109.10152	27.6
110.10512	0.5
111.08067	0.6
115.76293	0.3
118.97865	0.3
119.04940	18.4
121.10141	1.1
123.04421	0.4
123.08080	1.2
123.11704	12.9
125.09656	0.3
130.91344	0.3
133.10129	3.7
137.05957	1.6
146.40486	0.3
147.04405	100.0
148.04745	3.1
151.11179	15.6
152.11490	0.6
163.03932	0.4
165.05475	5.2
165.80003	0.3
166.05757	0.3
167.07091	1.7
167.08365	0.3
169.12262	1.1
187.47881	0.3
288.09854	1.6
303.12024	0.4
313.38260	0.3
315.15942	3.2
333.16953	14.8
333.97681	0.3
334.17349	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1695
Annotation	Marmin
Peak:m/z	Relative Intensity
55.05500	0.5
57.07074	2.6
65.03914	0.4
67.05488	1.3
69.07056	0.5
71.11406	0.7
71.11766	0.5
71.40676	0.4
73.42421	0.3
79.05487	0.6
81.07049	2.7
83.04977	19.5
87.08113	0.5
91.05477	7.1
92.32986	0.3
93.07024	0.9
94.93111	0.3
95.08566	0.3
98.98501	0.6
104.09396	0.3
105.07021	0.9
107.08591	2.3
109.06509	0.8
109.10156	5.9
110.28685	0.3
117.66238	0.3
119.04938	19.0
120.05283	0.7
123.08089	0.6
123.11735	1.8
133.10139	0.8
137.05939	0.4
147.04404	100.0
148.04762	2.2
151.11166	3.8
155.60252	0.3
165.05533	0.3
169.12238	13.1
237.02795	0.3
261.25601	0.3
288.10205	0.4
315.15836	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	0.6
57.03427	0.7
65.03941	0.9
67.05508	2.5
70.94886	0.7
71.04995	1.6
71.44914	1.2
79.05502	1.8
81.07060	5.1
91.05483	10.6
91.17921	0.7
93.07060	3.9
95.04980	1.0
95.08592	2.0
98.98428	0.9
103.55110	0.7
105.07036	5.5
107.08597	11.0
109.06517	4.1
109.10153	13.0
119.04941	18.4
121.11958	0.6
123.11686	5.2
133.10132	7.5
135.11725	0.9
147.04410	100.0
148.04727	2.5
151.11177	9.4
151.70885	0.6
163.03917	1.2
165.05482	5.2
169.12215	1.9
257.93069	0.7
297.07654	0.6
313.86124	0.7
315.15796	0.8
333.16998	11.8
333.24219	1.6
334.17480	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.1857
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21297	0.7
66.37735	0.6
67.05505	1.3
69.07056	0.9
69.55156	6.6
71.04969	2.4
79.05496	1.9
79.05917	0.7
81.07062	5.8
88.03467	0.8
89.03881	1.4
91.05479	8.2
93.07059	6.9
95.08612	1.4
98.98466	10.5
105.07041	1.2
107.04970	0.9
107.08595	6.5
109.06501	0.9
109.10152	3.6
110.10480	1.8
117.03384	1.9
119.04948	20.0
121.10130	1.1
125.09663	1.3
126.09943	1.6
133.10149	1.4
134.10457	1.4
135.04442	4.9
135.11690	6.0
145.02852	2.7
147.04419	100.0
148.04828	4.9
151.11197	1.7
153.12737	6.1
163.03925	32.1
164.04253	4.0
167.10646	1.3
168.11043	1.5
270.28046	1.1
315.15860	2.4
332.19287	1.7
332.31476	2.7
333.16998	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	332.2793
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.7
55.01862	1.0
55.05514	5.4
56.05037	3.7
56.96561	1.9
57.03447	0.7
57.07074	1.4
58.02959	0.8
60.04523	100.0
63.75377	0.6
66.89759	0.6
67.05500	10.9
69.03447	0.8
69.07061	4.7
69.34987	5.1
69.35397	1.2
70.06614	1.1
71.04971	1.1
72.04514	2.4
74.06081	2.4
79.05500	5.9
80.05031	0.8
81.07053	11.9
82.06581	2.2
83.08613	2.4
83.09287	0.6
84.96001	0.7
85.02888	1.0
86.06075	0.9
89.03922	1.3
90.05551	2.2
91.05473	5.1
93.07040	6.8
94.06559	2.2
95.04965	2.1
95.08611	8.6
95.41444	0.6
96.08152	1.0
97.06559	0.7
98.21511	1.5
98.97555	3.2
98.98457	8.3
105.07010	2.4
105.54217	0.6
107.04949	1.4
107.08559	4.9
108.08110	0.8
109.02915	1.1
109.06528	0.8
109.10128	4.5
112.07633	0.9
116.07092	0.8
116.98621	2.4
116.99417	0.7
117.03386	1.4
117.06950	0.6
119.04893	1.6
119.08573	2.3
121.06499	0.6
121.09438	0.6
121.10150	3.9
123.08055	1.1
123.11710	1.2
127.03957	1.1
131.08575	1.4
133.02814	1.0
133.06488	1.1
133.10130	1.0
134.99641	1.6
135.04425	1.8
135.11705	2.6
137.05946	7.3
145.10133	1.3
146.03172	0.8
147.04381	3.9
147.11679	0.9
148.04752	1.2
149.06009	1.8
149.13275	0.9
151.38170	0.6
158.99672	0.8
159.11757	1.0
163.03893	8.5
164.04243	5.6
165.04272	0.8
165.05553	0.7
165.09116	0.9
167.07045	6.6
167.53191	0.5
176.99016	1.1
177.00699	2.5
189.00563	0.8
193.06772	0.6
193.08569	1.4
242.13538	1.7
242.63629	0.8
251.14113	1.0
260.23755	1.9
266.24936	1.2
272.07114	0.9
278.24756	7.1
281.07584	1.5
287.07446	1.1
288.09900	4.8
292.58298	0.8
296.07974	1.3
296.25842	12.9
296.58463	0.7
301.10611	0.8
303.12360	0.8
305.08664	2.0
305.58710	1.1
314.26892	16.8
316.59436	0.6
317.09604	1.1
322.55319	0.7
332.12057	2.5
332.27933	88.5
333.28317	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.0604
Annotation	Vaccaxanthone
Peak:m/z	Relative Intensity
53.03923	0.2
55.01875	0.2
57.77899	0.2
59.39203	0.2
60.28455	0.2
66.67310	0.2
67.05501	0.3
68.99778	1.7
69.59756	1.3
79.04800	0.2
79.05495	0.3
81.03391	0.8
81.07024	0.3
81.42883	0.2
83.50970	0.2
85.02904	0.2
88.32060	0.2
89.31651	0.2
91.05464	0.3
97.00167	0.2
98.21481	0.3
98.43604	0.2
98.98454	0.9
103.33701	0.2
105.07013	0.3
109.02851	0.5
115.05451	0.5
115.24675	0.2
119.04933	0.8
121.06489	0.3
127.03899	0.9
131.04895	0.6
137.02338	21.4
137.05951	2.6
143.04903	0.5
147.03352	0.4
147.04414	3.9
149.06013	0.3
159.04402	0.4
161.05936	0.5
163.00282	0.2
167.07050	2.6
171.04410	1.6
173.05946	0.3
175.03920	0.7
177.05437	1.2
181.01286	0.6
187.03873	0.3
189.05396	1.3
195.02974	0.3
199.03899	1.0
203.03421	1.3
209.00815	1.0
217.04980	1.5
223.02341	2.6
227.03391	5.5
228.04115	0.2
229.04999	0.3
231.02931	0.3
245.04457	5.2
255.02869	4.3
256.03616	0.9
273.03915	100.0
274.04333	4.5
283.02298	0.5
285.27124	0.2
288.09821	1.1
301.03363	1.9
303.12225	0.5
333.02048	0.3
333.06015	5.3
333.11929	0.3
334.06152	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.1856
Annotation	Unknow
Peak:m/z	Relative Intensity
60.35778	0.3
61.01995	0.3
65.03920	0.4
67.05499	0.4
67.65191	0.3
69.03403	0.7
70.23494	1.1
81.07052	1.6
91.05484	5.8
93.07043	0.5
94.66612	0.3
95.08613	0.4
98.98467	3.6
105.06998	0.5
107.04992	0.8
107.08578	1.0
109.06555	0.5
109.10151	0.6
114.69884	0.3
119.04950	17.3
123.08075	0.3
123.11726	1.5
125.09624	0.6
129.05974	0.3
133.10106	0.6
135.11743	0.4
139.11198	0.5
143.04861	0.3
147.04411	100.0
148.04726	3.1
151.11176	2.7
163.03923	1.1
168.11040	0.4
174.48140	0.4
176.98889	0.6
177.96709	0.4
332.31326	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.1855
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38442	0.7
55.87461	0.7
57.14551	0.7
58.04372	0.8
59.77991	0.7
67.05498	2.4
71.94067	0.7
79.05491	1.2
81.07054	3.0
91.05486	13.1
93.07063	1.0
98.98474	2.1
101.03795	0.8
105.07038	2.2
107.08591	17.2
108.53053	0.7
109.06510	1.2
109.10155	33.2
109.92233	0.9
119.04094	1.7
119.04948	28.9
123.11693	1.9
133.10138	5.5
134.10457	1.1
139.67386	0.7
147.04411	100.0
148.04799	1.4
151.11180	33.1
164.07069	2.7
165.05444	1.4
173.15790	0.8
229.69617	1.1
314.14728	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.1338
Annotation	5'-O-beta-D-Glucosylpyridoxine
Peak:m/z	Relative Intensity
56.96561	1.1
57.03417	1.8
61.02915	2.7
67.05493	1.9
69.03423	6.6
69.71428	4.4
71.05006	1.0
73.02919	1.5
81.03426	2.3
84.51403	0.8
85.02905	8.8
87.04454	2.4
97.02886	3.8
98.97542	0.9
99.04449	1.3
106.06538	4.1
108.08109	100.0
112.99090	0.8
116.98647	0.8
123.06817	3.3
123.97787	0.6
124.07568	12.1
125.73758	0.7
127.03927	1.4
131.00124	0.7
134.06004	9.0
136.07571	15.5
145.04956	0.9
149.01215	0.9
152.07051	77.0
154.08624	1.8
157.04422	0.8
170.05202	0.9
170.08141	8.6
178.04926	2.8
251.07814	1.1
252.08611	1.3
264.89539	0.7
301.19687	0.6
309.05118	1.3
314.12308	49.8
315.12555	1.5
321.10031	1.0
332.13382	93.4
333.10565	1.5
333.14023	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	331.2841
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12292	1.3
55.05505	11.5
55.45168	1.5
57.03424	5.2
57.07075	90.3
58.07416	1.8
67.05175	1.7
67.05505	21.7
69.07069	13.9
70.06584	6.5
71.06916	1.5
71.08234	2.9
71.08630	59.8
75.04480	3.7
79.05505	3.1
81.07051	28.9
83.08612	22.6
85.06525	1.6
85.10180	34.1
88.07613	9.4
89.07951	2.9
91.05466	3.1
93.07041	4.7
95.08606	48.2
97.10148	8.7
98.98462	21.1
99.11723	3.3
102.09164	2.1
103.07571	1.5
105.07031	24.8
106.08648	5.5
107.08516	2.5
109.06486	2.4
109.10155	32.1
111.11707	3.1
113.26936	1.5
113.82774	1.3
119.04928	1.9
123.11706	12.2
125.13232	2.9
133.10127	58.0
134.10458	3.0
135.04391	2.5
137.13242	5.5
147.04396	7.1
151.11160	3.7
151.14778	1.6
163.03897	18.6
165.16380	2.0
168.53133	1.4
171.09361	1.4
176.98897	2.2
181.04904	1.6
221.08148	1.5
221.22710	3.4
239.23668	24.5
257.24756	5.9
275.25580	1.5
313.14316	25.4
313.27356	65.5
313.32623	6.8
314.14557	2.4
314.27612	1.6
331.15317	5.8
331.33966	100.0
332.15503	1.4
345.19290	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2841
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	9.3
55.05718	1.5
57.03430	5.7
57.07073	72.8
60.91361	1.8
67.05499	17.9
69.07060	12.2
70.06573	7.3
71.08630	47.0
71.60098	3.3
75.04478	3.4
79.05489	2.4
81.07057	27.5
83.08619	18.4
85.10172	24.0
88.07630	8.0
89.06020	1.6
89.07956	1.9
91.05490	4.1
91.06094	1.5
93.07028	3.8
95.08606	34.7
96.91100	1.7
97.10176	8.1
97.24083	1.6
98.98463	100.0
100.98868	2.3
102.09173	3.1
103.03400	1.4
105.06999	11.1
106.08699	4.0
107.08611	4.5
109.06482	3.2
109.10156	27.4
111.11724	3.1
116.99476	3.8
119.04924	2.8
121.10153	2.1
123.11716	10.3
125.09623	6.1
133.10136	15.1
135.04376	2.1
137.13281	4.8
139.11195	5.1
139.40277	1.6
140.01009	2.3
141.08055	1.7
145.02844	2.0
147.04401	17.4
149.09691	2.0
151.11194	2.4
163.03908	15.5
167.10686	7.8
174.99237	5.2
176.98901	8.5
221.22714	2.6
239.23694	17.9
250.27892	1.6
252.99767	1.8
257.24710	3.7
275.25842	1.8
313.14456	5.6
313.27362	47.5
313.32916	4.5
331.04324	2.0
331.15259	3.6
331.26578	3.0
331.33987	83.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1748
Annotation	Iridodial glucoside
Peak:m/z	Relative Intensity
53.03944	1.0
55.01858	1.9
55.05510	9.8
56.05027	0.9
57.03418	2.0
57.07066	2.4
57.08050	0.7
58.06600	4.7
59.06905	1.0
61.02915	2.1
61.06482	0.7
65.03936	1.3
67.05510	3.8
68.99781	2.0
69.03424	10.1
70.06589	2.1
70.81007	1.1
70.81358	1.7
71.04981	2.2
71.08618	0.7
72.08144	0.8
73.02905	0.8
75.04481	0.8
79.05488	5.2
80.05013	0.9
81.03405	5.1
81.07050	42.8
83.04976	17.4
84.04491	4.8
84.08123	1.7
85.02895	13.2
86.09695	1.8
87.04464	1.5
89.70277	0.7
91.05463	3.1
93.03402	1.1
93.07031	7.1
94.06543	0.7
95.04961	3.3
95.08602	8.1
97.02886	5.2
97.06516	3.0
98.06016	0.8
98.98457	69.2
99.04437	1.7
100.98885	1.1
105.07016	2.9
107.04957	4.7
107.08582	5.4
109.02846	2.7
109.06508	2.5
109.10149	7.1
110.06021	1.9
110.52926	0.6
111.04440	3.5
111.08083	1.1
113.06008	0.8
116.99483	4.2
117.07033	0.8
118.06567	0.8
119.04944	4.2
119.08598	1.3
121.06497	1.0
121.10139	6.9
123.04416	30.2
123.11696	100.0
124.03998	1.2
124.04748	3.1
124.07554	0.9
124.12046	3.0
125.06001	1.0
126.05542	1.5
127.03901	6.2
129.10229	1.6
131.04941	2.1
133.06512	1.1
133.10097	3.5
134.05960	1.1
135.04395	6.9
135.11659	3.8
136.06181	1.0
137.02275	1.3
137.06007	2.1
138.05463	3.6
139.02783	1.0
139.03888	18.8
140.04210	1.3
140.07066	1.4
145.04948	2.3
145.10129	0.8
146.06003	1.7
147.04391	11.5
147.08084	1.4
147.11653	2.2
148.04842	0.7
149.05995	1.5
150.05469	0.9
151.03867	3.7
151.07558	1.2
151.11172	43.2
152.04305	1.2
152.07024	9.9
152.11540	1.3
153.05501	2.9
156.06505	1.5
159.11757	1.6
161.05978	1.5
162.05498	2.1
163.03915	9.6
163.05948	1.2
164.07022	7.6
165.05453	4.1
165.12735	0.9
166.04929	1.2
166.08569	1.5
167.10670	1.7
168.06537	4.5
169.12222	20.9
171.11646	1.0
174.99216	3.2
176.07028	1.6
176.98904	7.6
177.05492	1.6
178.04997	1.5
179.03407	1.0
179.05443	2.2
179.07024	1.0
179.10608	1.1
180.06540	49.2
181.12234	2.1
182.08121	3.9
187.14308	0.7
189.05579	1.0
189.07710	0.9
189.12747	0.7
192.06557	1.8
193.07216	1.6
194.08076	6.4
195.02805	0.8
210.07680	0.9
213.99930	1.4
215.09166	1.0
223.13239	2.0
227.07121	0.9
229.05052	0.9
231.13747	2.8
241.99341	1.1
246.69930	0.7
249.14830	0.9
252.99672	1.4
254.99269	0.7
259.13351	0.9
271.05994	1.2
273.07501	1.4
277.14493	1.0
285.07388	1.0
295.15414	3.5
299.01700	1.0
304.08856	1.0
308.63647	0.8
313.16476	6.8
313.27573	0.8
314.10181	2.3
315.08679	1.0
331.04404	2.8
331.10629	1.6
331.17276	6.7
332.11249	42.0
338.38281	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1905
Annotation	Carnosol
Peak:m/z	Relative Intensity
54.21928	1.3
57.07077	5.6
59.04987	1.2
64.16931	1.2
67.05502	3.2
70.06586	3.3
71.08630	3.4
71.50019	2.3
73.21986	1.4
74.98676	1.2
79.05484	1.9
81.07062	12.5
88.07616	3.6
91.05463	3.1
93.07043	2.5
95.04958	1.3
95.08618	4.3
97.06541	1.6
98.98471	100.0
100.98881	2.0
102.09212	1.1
105.07032	10.0
106.08652	2.4
107.04916	1.2
107.08598	5.0
109.10153	5.0
116.99503	4.0
119.04953	3.8
121.10114	1.9
123.08045	1.6
123.11698	1.2
123.30682	1.4
125.09660	6.8
127.03918	1.5
131.08508	1.3
133.10130	19.2
135.04402	2.4
137.13252	3.4
139.11176	2.3
140.01048	2.3
144.10309	1.3
145.02812	2.2
147.04402	17.8
149.09567	1.3
151.11188	2.3
163.03920	13.4
167.10663	5.8
174.99236	5.8
176.98907	10.1
177.05446	2.3
185.06084	1.4
231.89401	1.2
252.99738	2.1
313.14325	8.9
313.27289	3.3
331.04425	2.4
331.15225	2.9
331.33966	37.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1538
Annotation	Excavatin C
Peak:m/z	Relative Intensity
51.39532	0.7
51.49924	0.8
55.05510	1.2
67.05502	10.4
69.38405	7.2
79.05486	4.3
81.07050	9.1
89.03925	4.0
91.05492	6.2
93.07065	1.8
95.08620	1.0
97.06544	2.5
98.21523	1.6
98.98446	6.5
105.07048	5.5
107.04944	1.7
107.08591	38.1
109.06538	4.0
109.10153	100.0
110.10509	1.6
114.91810	0.8
117.03387	5.7
119.04943	3.0
119.41246	0.7
119.53503	0.7
121.10137	1.4
123.08102	0.8
123.11730	3.6
125.09631	7.7
130.56172	0.7
133.10159	4.2
135.04420	16.3
135.66977	0.7
139.11174	1.4
145.02850	11.5
147.04396	12.4
149.09650	0.9
151.09961	1.3
151.11177	25.9
163.03900	97.7
164.04233	0.7
165.05481	1.4
167.10692	2.8
181.04933	8.5
200.77209	0.7
209.11020	0.8
313.14359	1.1
331.15546	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	331.1537
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63495	0.5
55.05495	1.1
57.07063	0.6
65.03942	0.5
67.05502	3.9
67.87601	0.5
69.07066	0.6
70.16959	2.6
79.05490	16.1
81.07056	3.8
89.03918	3.5
91.05478	28.0
93.07029	4.9
94.07462	0.5
95.04955	2.4
95.08585	1.7
98.98462	21.1
100.98914	0.6
105.07026	19.6
107.04931	1.6
107.08588	9.5
109.06498	1.5
109.10148	11.7
115.05466	0.5
116.99496	0.9
117.03380	6.1
117.06979	0.9
118.07796	1.2
119.04914	3.0
121.10141	17.6
123.08075	1.0
123.11716	2.2
125.09608	4.9
131.08539	1.8
133.10126	58.3
135.04410	16.1
135.11694	1.2
139.11151	3.6
145.02837	11.3
145.03979	0.6
147.04410	10.9
151.11188	9.6
163.03897	100.0
164.04237	1.4
167.10680	4.9
174.99246	1.2
176.98930	1.9
180.01076	0.6
181.04939	6.0
252.99875	0.7
313.14307	0.9
331.15475	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	331.1539
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01844	0.3
58.49039	0.3
59.04998	0.4
60.79244	0.3
65.03931	0.8
67.05487	0.7
69.03423	0.9
69.07053	0.3
71.54752	0.8
76.10493	0.3
79.05488	0.7
81.07056	1.4
91.05483	9.9
93.07045	1.4
95.04983	0.6
95.08591	0.9
97.06519	0.5
98.98469	7.6
105.07029	1.7
107.08597	2.8
109.06530	1.3
109.10145	1.0
119.04942	25.2
121.06571	0.5
121.10147	5.6
123.08041	0.8
123.11713	0.4
125.09627	1.1
131.08577	0.3
131.23483	0.3
133.10138	0.5
135.04381	0.6
139.11179	1.3
145.02847	0.4
147.04407	100.0
148.04755	1.1
149.09625	5.4
151.11214	0.4
163.03909	2.2
165.05548	0.6
167.10684	6.2
167.72060	0.3
176.98943	0.6
331.15402	6.2
342.27850	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1537
Annotation	Fragransol-B
Peak:m/z	Relative Intensity
55.01883	1.1
59.00381	1.1
69.03440	1.9
70.41821	5.2
77.16986	1.2
79.05494	2.3
81.07037	2.0
83.04960	1.6
91.05482	23.2
93.07018	1.4
94.04195	2.3
95.04965	4.8
95.08622	1.2
98.98470	36.1
98.99126	2.4
101.71175	1.4
103.05476	5.1
105.07016	4.4
107.04940	5.6
109.06499	5.9
115.05488	2.3
117.03313	1.2
117.06998	2.2
119.04946	15.4
121.06502	4.9
122.03654	4.7
125.05978	1.4
127.03925	1.9
128.06212	4.5
129.07016	14.1
131.04936	4.6
131.08540	1.8
133.06493	3.5
135.04411	1.9
135.08090	5.0
136.05153	3.1
137.05975	75.7
143.04991	1.7
145.02843	1.2
145.06465	3.4
146.03635	1.8
147.04398	2.0
148.05145	1.3
149.06001	12.6
151.03973	3.2
151.07544	100.0
152.06209	3.9
157.06509	11.9
157.97577	1.2
161.05962	13.2
161.09630	2.1
163.03926	4.4
163.07541	19.9
165.06998	9.2
165.09128	3.4
166.07805	2.0
167.08545	13.2
169.06474	2.1
173.06035	1.3
174.06783	5.2
174.99185	1.1
175.07535	3.9
176.98941	3.0
177.06886	1.8
177.09149	2.8
178.07738	6.1
179.08607	1.7
181.06514	3.0
182.07278	4.8
184.08875	1.6
187.06023	1.9
189.09105	34.7
189.10747	2.5
192.09454	1.8
193.06487	7.0
193.08591	1.4
193.10083	7.4
194.07266	2.3
195.08046	23.6
196.08710	2.5
197.05983	5.3
199.07646	1.4
202.07745	1.8
203.08568	1.8
206.07172	2.2
207.04401	1.3
207.08240	1.8
207.10173	5.2
209.05940	2.4
209.09636	2.8
210.06747	6.7
211.07500	3.3
212.08310	6.6
213.09097	1.7
221.06059	8.8
221.09543	9.8
223.07495	11.6
224.08415	4.0
225.05437	1.8
225.09096	13.0
226.06248	1.5
227.07127	2.4
227.10654	30.2
228.11140	1.5
237.09210	3.3
238.06190	4.7
238.09970	1.9
239.07039	2.0
239.10675	1.4
240.07803	3.7
249.09103	6.9
250.09875	1.3
252.07791	1.6
253.08603	15.4
253.12221	16.2
255.10172	32.3
259.13361	1.6
266.09219	2.1
267.10147	5.6
269.08151	5.5
269.11636	1.8
270.08865	1.7
272.10550	4.0
281.11758	7.6
281.21646	1.3
284.10504	1.8
285.11188	20.9
287.12778	52.4
295.16785	1.3
299.13025	1.6
301.14288	2.0
313.14307	19.2
322.83905	1.5
331.11688	7.8
331.15427	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	331.1538
Annotation	Excavatin C
Peak:m/z	Relative Intensity
53.03950	0.2
53.95219	0.2
55.05502	0.5
57.07053	0.4
67.05515	1.3
70.21750	1.3
70.22034	0.3
75.67422	0.2
79.05483	2.2
81.07061	5.3
89.03917	4.0
91.05479	5.1
93.06472	0.4
93.07046	6.7
95.04963	1.0
95.08055	0.4
95.08609	4.9
95.09175	0.5
98.98465	16.6
100.98880	0.3
103.05471	0.3
105.07030	7.9
107.04965	1.8
107.07868	0.5
107.08586	8.5
109.06508	0.6
109.10149	1.4
116.99500	0.8
117.03378	6.3
118.07780	0.4
119.04942	4.4
121.02859	0.4
121.10137	8.4
123.04596	0.2
123.08086	0.7
123.11706	6.5
125.09592	0.3
131.08528	0.7
133.09114	0.7
133.10129	16.8
135.04414	17.0
137.05954	0.5
138.06410	0.3
145.02846	12.0
147.04405	25.0
148.04688	0.3
149.09605	1.5
151.11191	2.4
155.50369	0.3
163.03900	100.0
164.04237	1.4
165.05508	2.0
165.06822	0.4
167.10674	2.3
174.99213	0.8
176.98900	1.5
177.09033	0.4
177.12653	0.3
179.07181	0.3
181.05003	0.3
181.79561	0.2
186.05492	0.6
190.04916	0.7
197.05991	0.4
209.05635	0.3
213.05328	0.3
221.05933	0.3
239.07117	0.4
243.06477	0.3
246.05202	0.3
252.99550	0.4
253.04919	0.4
254.99493	0.5
267.06461	0.4
271.06018	1.0
313.07153	0.7
313.14319	0.4
315.04944	0.4
316.08975	0.5
331.04587	0.6
331.08029	1.7
331.11697	2.9
331.15460	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1537
Annotation	Fragransol-B
Peak:m/z	Relative Intensity
50.15739	1.1
50.54029	1.0
55.01859	1.4
62.48834	1.0
63.42424	1.0
63.64611	1.0
65.03933	1.6
71.39388	1.8
72.59131	1.1
79.05495	1.3
81.07054	1.5
81.54396	1.1
83.04992	1.3
87.04379	1.1
91.05475	24.0
94.04166	1.0
95.04940	5.2
98.98454	6.8
103.05448	4.3
105.07014	3.4
107.04957	5.8
109.06510	4.2
111.04422	2.1
115.05471	2.1
119.04940	15.3
121.06528	5.7
122.03642	5.3
123.04436	1.1
123.08076	1.1
127.75616	1.0
128.06201	3.2
129.07011	13.2
131.04927	3.3
133.06500	2.1
135.08093	6.2
136.05206	2.1
137.05974	67.8
138.06242	1.9
143.04890	1.4
145.06462	3.0
146.03566	1.6
146.55637	1.1
147.04364	1.3
147.08070	1.4
149.05978	12.3
151.03995	2.0
151.07538	100.0
152.06149	2.2
152.07945	1.3
153.06932	1.6
154.07715	1.2
157.06497	11.0
161.05986	9.6
161.09613	2.4
161.70651	1.0
163.07542	20.2
165.07004	10.4
165.09090	5.7
166.07742	3.1
167.08568	15.9
168.09065	1.0
169.06508	1.6
174.06734	5.2
175.07516	5.7
177.06961	1.3
177.09100	2.5
178.07793	5.9
179.08505	2.2
181.06432	4.0
182.07234	2.0
185.54329	1.1
187.07562	1.5
189.09093	36.2
191.08531	2.2
192.09248	1.5
193.06494	6.2
193.10262	8.1
194.07292	2.3
195.07999	20.1
197.05931	5.5
198.13342	1.0
202.07793	1.3
203.08640	2.4
206.07202	1.8
207.08318	1.3
207.10156	6.4
209.05995	2.2
209.09579	3.3
210.06726	8.6
211.07506	3.8
212.08296	3.3
213.09160	1.4
220.08730	1.7
221.05992	6.8
221.09531	9.3
223.07541	9.5
224.08316	4.2
225.05466	1.5
225.09128	8.6
227.07085	1.7
227.10654	24.1
228.11104	1.2
231.07990	1.2
237.05359	1.5
237.09158	1.8
238.06235	3.7
238.09772	1.9
239.10611	1.4
240.07819	2.0
241.08543	1.6
249.09129	4.8
252.07762	2.3
253.08627	13.0
253.12218	15.1
254.05751	1.2
254.09087	1.3
255.10132	24.9
256.10648	3.0
267.10141	4.8
269.08105	4.4
269.11795	2.3
272.10385	3.7
281.11765	6.1
284.10471	2.1
285.11197	17.8
287.12759	56.6
288.13068	2.4
299.12747	2.2
313.14313	16.5
331.14944	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	331.1538
Annotation	Macquarimicin A
Peak:m/z	Relative Intensity
55.05508	2.5
56.51087	1.0
59.04988	2.5
67.05505	1.3
69.03434	5.8
69.07075	1.6
69.35974	2.3
69.36382	8.1
71.04978	2.8
73.29551	0.9
79.05480	3.3
81.07072	4.6
83.04982	9.4
85.02911	1.2
91.05486	7.5
93.07045	5.3
95.08609	4.0
97.06534	13.7
97.10166	1.1
105.07027	3.6
107.04945	1.3
107.08594	28.1
109.06509	11.7
119.04947	13.9
121.10141	14.9
123.08070	6.9
125.05990	2.6
125.09628	100.0
126.09998	1.6
131.08595	1.4
139.11179	56.2
140.11501	1.2
147.04410	60.4
149.09636	12.3
167.10672	97.7
168.10985	2.8
174.63408	0.9
197.61848	1.1
218.98412	1.0
331.15335	3.4
342.18195	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1538
Annotation	Excavatin C
Peak:m/z	Relative Intensity
59.44268	0.2
63.02379	0.2
69.28645	0.2
71.05389	0.6
79.05476	0.7
81.07034	0.7
89.03395	0.4
89.03920	4.2
98.98472	1.2
107.04962	1.4
109.10146	0.3
117.03384	6.3
118.24459	0.2
119.04910	0.2
123.11682	0.5
135.04419	14.1
145.02846	10.1
147.04427	0.6
151.11188	0.2
162.64830	0.2
163.03906	100.0
164.04233	1.2
186.05524	0.4
212.11778	0.2
331.15451	1.7
347.56952	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1538
Annotation	Excavatin C
Peak:m/z	Relative Intensity
53.31750	0.9
55.01868	1.6
55.05495	3.2
57.03421	1.6
63.80957	0.8
65.03937	1.5
67.05494	4.2
69.03411	1.0
71.04990	1.9
71.36279	2.0
79.05485	3.7
81.03421	2.0
81.07056	5.7
83.04952	1.3
85.02916	4.5
89.03902	3.9
91.05476	12.4
93.07024	5.7
95.04963	5.8
95.08596	3.1
97.02883	1.6
98.09687	2.6
98.98464	97.0
100.98891	1.8
103.05449	1.6
105.07017	19.4
107.04945	3.3
107.08591	38.2
109.02871	2.5
109.06493	3.3
109.10144	2.9
116.99486	5.6
117.03388	5.7
117.07029	1.0
119.04922	5.1
119.08552	1.3
121.06486	3.3
121.10140	7.3
122.03653	1.7
123.11710	4.7
126.00249	0.9
126.09118	3.2
127.03924	2.6
128.06218	1.3
129.06998	2.7
131.04900	1.5
131.08646	1.4
133.10114	15.3
135.04417	14.8
135.08060	1.2
137.05981	16.1
140.01080	1.5
145.02838	11.9
145.06447	1.7
147.04387	3.6
149.05972	3.5
151.03880	3.2
151.07547	22.6
151.08615	0.9
151.11179	5.4
152.06169	1.6
153.01849	1.3
157.06496	3.0
161.05997	3.0
163.03902	100.0
163.07545	3.7
164.04182	1.2
165.06989	3.0
165.09105	1.2
166.07874	1.0
167.07074	1.5
167.08536	3.7
169.09711	15.2
174.06750	1.0
174.99228	4.5
175.07588	1.6
176.98901	9.8
177.05473	1.8
178.07751	1.0
181.04933	2.8
181.06386	1.7
181.08566	1.3
182.07231	1.3
183.07944	1.3
187.10759	2.7
189.09111	8.1
193.06519	2.6
193.10143	2.1
195.07951	4.6
197.05977	1.5
207.10086	1.6
209.05594	1.6
210.06798	2.4
211.07558	2.0
212.08310	1.8
215.03325	1.6
221.05957	2.7
221.09624	1.5
223.07590	1.5
224.08246	2.2
225.09109	1.5
226.06392	1.1
227.10635	5.6
238.06175	1.6
240.07822	1.2
241.04857	1.4
243.02866	1.6
249.09125	2.1
252.07704	1.0
253.08636	3.8
253.12242	4.0
255.06552	1.5
255.10139	5.8
260.03296	1.1
267.10138	1.9
269.08151	1.1
270.08530	1.4
271.09604	2.6
281.11761	1.6
285.08093	1.0
285.11337	5.4
287.09760	0.9
287.12766	12.4
299.01892	2.4
299.09186	2.1
299.54272	1.0
300.02460	1.9
303.04962	3.2
313.14435	4.5
316.09033	2.7
331.04373	10.8
331.07776	1.7
331.11630	9.5
331.15356	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	331.1538
Annotation	Fragransol-B
Peak:m/z	Relative Intensity
59.40561	0.9
65.03940	1.4
71.11152	2.3
79.05476	3.4
81.07049	1.7
91.05476	24.6
94.04178	2.0
95.04968	5.5
98.98462	6.6
103.05460	3.7
105.07040	4.1
107.04929	5.7
109.06496	4.3
111.04420	1.4
115.05436	1.7
117.07000	1.5
119.04928	16.8
121.06484	5.8
122.03641	6.7
128.06223	3.4
129.07014	13.5
131.04921	5.4
131.08513	1.2
133.06474	1.2
135.08063	4.8
136.05179	3.9
137.05975	70.1
143.04892	1.3
145.06468	3.8
146.03557	1.5
148.05220	1.1
149.05975	13.3
151.03912	3.3
151.07539	100.0
152.06210	3.4
152.07840	1.7
153.06978	1.8
157.06479	13.5
158.07176	1.6
159.08076	1.2
161.05960	13.1
161.09599	3.7
163.03931	1.5
163.07547	21.0
165.07022	10.1
165.09131	4.1
166.07762	2.5
167.07092	1.4
167.08551	13.8
174.06772	5.9
175.07527	5.6
177.06963	1.5
177.09061	3.2
178.07768	4.5
179.08594	1.7
181.06445	4.8
181.10141	1.2
182.07196	4.0
183.08029	1.1
184.08890	1.8
189.09099	40.5
193.06519	5.6
193.08450	1.2
193.10054	7.2
194.07271	2.6
195.08043	22.1
196.08792	2.6
197.05923	5.0
197.09563	1.6
202.07686	1.3
203.08566	2.0
205.06427	1.7
206.07266	3.0
207.08318	1.8
207.10094	7.7
209.05978	2.6
209.09586	3.6
210.06696	8.0
211.07504	4.0
212.08284	4.2
220.08707	1.0
221.06053	8.9
221.09581	12.1
222.06769	1.2
223.07524	10.4
224.08322	3.5
225.05380	1.5
225.09119	7.8
227.07156	2.1
227.10663	26.8
237.09196	3.1
238.06210	4.2
238.09882	2.3
239.07057	2.3
239.10539	1.8
240.07866	4.5
241.08481	1.7
241.12286	1.6
249.09126	7.1
252.07767	2.8
253.08586	14.0
253.12236	15.9
255.06284	1.7
255.10170	32.6
256.10782	1.5
259.13419	1.8
263.10446	1.6
266.09375	1.4
267.10172	4.8
269.08130	4.6
269.11496	2.2
270.08765	2.0
272.10388	2.7
281.11679	7.8
284.10376	1.5
285.11227	20.3
287.12775	67.0
288.13043	2.4
299.12506	2.5
301.14307	2.8
313.14331	22.9
331.11880	1.8
331.15378	13.4
333.60995	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1537
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21597	1.4
53.03940	1.6
55.01873	2.0
67.05508	2.5
71.04980	5.7
71.62392	3.6
79.05455	3.8
81.07050	13.0
83.04973	2.6
85.02891	5.9
89.03934	2.4
91.05470	27.6
93.07031	2.2
94.04185	2.7
95.04978	7.2
95.08597	3.0
98.98464	44.1
103.05458	4.4
105.07012	4.7
107.04954	10.7
107.08580	2.7
109.06499	5.2
109.10146	8.9
111.04404	2.3
115.05457	2.2
116.99496	2.6
117.03392	2.7
117.07004	2.1
119.04937	16.7
121.06506	7.6
122.03674	7.9
123.04432	1.5
123.11707	39.6
128.06200	5.8
129.06999	15.5
131.04906	5.9
133.06500	2.2
135.04427	3.6
135.08055	5.3
135.11714	1.7
136.05217	4.3
137.05968	77.2
143.04897	1.7
145.02824	2.0
145.06454	3.3
147.04413	3.5
149.05992	14.5
151.03889	3.3
151.07535	100.0
151.11169	6.3
152.06160	3.0
157.06512	13.0
161.05972	12.6
161.09662	2.8
163.03903	17.8
163.07513	18.6
165.07007	11.3
165.09076	4.8
166.07780	2.9
167.08536	17.6
169.06487	2.3
169.09770	2.5
169.12256	8.9
174.06760	8.0
174.99252	3.1
175.07469	3.5
176.98938	5.2
177.09093	2.8
178.07777	6.5
179.08557	2.4
181.06487	4.2
181.10219	1.8
182.07224	3.5
182.99611	1.4
187.07501	1.6
189.09096	35.8
193.06548	7.5
193.10081	8.2
194.07253	2.2
195.08012	25.0
196.18039	1.9
197.06000	7.0
197.09526	2.9
203.08463	2.1
206.07022	2.4
207.08287	2.2
207.10150	4.8
209.06064	2.2
209.09694	2.6
210.06804	8.4
211.07584	5.2
212.08348	4.7
220.08803	3.1
221.05981	8.4
221.09627	11.8
223.07614	11.0
224.08324	5.6
225.05499	2.5
225.09103	10.8
227.06989	4.2
227.10631	31.8
235.07608	2.2
237.09143	2.3
238.06294	6.0
239.07080	4.9
240.07762	3.4
241.08540	3.0
243.11447	2.6
249.09047	5.9
251.07063	2.7
252.07542	2.3
252.99727	2.7
253.08574	14.2
253.12248	14.9
255.10179	31.8
256.10516	2.0
267.10141	6.5
269.08170	4.1
269.11697	2.1
272.10352	4.8
281.11731	7.1
281.14471	1.9
285.11197	15.4
287.12772	61.3
288.13052	2.2
299.12527	1.8
313.14359	20.0
331.11786	10.7
331.14893	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1537
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20771	0.4
56.65863	0.5
56.91747	0.5
59.05006	0.7
64.33826	0.4
65.03951	0.5
65.11346	0.5
67.05490	1.1
68.74854	0.4
69.90764	0.5
70.75278	1.5
79.05481	0.9
81.07057	2.2
82.23343	0.4
82.49469	0.5
83.04971	0.9
89.03950	0.5
91.05486	6.9
93.07040	1.7
95.08594	2.4
97.06528	1.0
98.98468	2.5
105.07027	1.9
107.08603	3.6
109.06517	2.0
109.10165	3.6
119.04945	19.1
121.06525	0.9
121.10143	8.1
123.08088	1.4
123.11719	0.9
125.05982	1.1
125.09630	4.9
133.10190	0.6
135.04482	0.5
139.11180	6.3
143.36879	0.5
147.04410	100.0
148.04727	1.6
148.51357	0.5
149.09618	5.5
151.11183	1.9
163.03915	4.6
165.05504	3.3
167.10687	11.3
176.98936	0.6
215.65317	0.5
319.82516	0.5
331.15405	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	331.154
Annotation	Excavatin C
Peak:m/z	Relative Intensity
51.53941	0.5
56.96561	1.3
57.07063	0.9
59.04994	0.4
67.05502	3.6
69.07067	1.1
69.34569	1.5
69.34985	3.4
79.05482	2.4
81.07066	5.0
83.04971	0.7
87.04501	0.4
89.03932	1.2
91.05478	4.3
93.07043	6.7
95.04965	1.6
95.08600	1.9
97.06544	0.8
98.98466	45.9
100.98879	1.5
103.05428	0.7
105.07030	48.4
107.04962	1.6
107.08591	6.2
108.95717	0.4
109.06522	3.1
109.10154	7.7
116.99516	2.6
117.03371	2.1
117.06976	0.6
119.04956	3.4
119.08579	0.8
121.10180	1.4
123.08070	1.9
123.11713	5.9
125.09622	6.0
127.03877	0.4
129.07016	0.8
131.08583	1.2
133.10130	100.0
134.10478	1.5
135.04414	6.5
137.05977	0.6
139.11176	3.3
140.01074	1.4
145.02846	4.0
147.04410	15.5
149.09624	1.3
151.11166	6.9
163.03911	30.5
167.10684	4.7
173.11693	0.6
174.99254	2.4
175.07518	0.5
176.98941	3.8
181.04964	1.5
190.71365	0.5
191.03386	0.4
193.32895	0.5
203.07161	0.7
205.04965	1.1
221.08186	2.1
252.99811	1.4
253.08524	0.5
254.18668	0.5
278.21936	0.7
280.73801	0.5
313.14334	48.2
314.14529	1.3
316.32239	0.5
330.33646	0.7
331.04584	1.1
331.15399	11.8
331.18848	0.5
331.26645	1.0
331.30197	0.6
349.16782	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1538
Annotation	Fragransol-B
Peak:m/z	Relative Intensity
53.03946	1.0
55.01865	1.9
55.05492	0.9
56.96541	1.4
57.99815	0.9
60.04516	1.1
65.03935	1.1
67.05508	1.9
69.03432	0.9
69.55647	0.7
69.55966	7.9
70.41563	0.8
71.04963	1.7
79.05508	4.0
81.03403	1.5
81.07057	2.9
85.02921	1.1
89.99290	0.8
91.05481	28.2
93.07037	1.2
94.04178	3.6
95.04969	7.8
97.02876	2.6
98.98462	20.7
98.99105	1.1
103.05442	5.2
105.07040	5.7
107.04951	7.5
109.02882	1.0
109.06515	6.2
111.04417	1.5
112.53275	0.7
115.05447	1.7
117.03374	1.1
117.07005	3.1
119.04940	17.2
121.02901	1.1
121.06486	6.7
122.03656	7.7
123.04403	1.2
123.08037	0.9
126.20470	0.8
128.06221	3.8
128.98611	0.9
129.06995	16.2
131.04918	5.2
131.08594	1.3
133.06464	3.2
135.08051	5.7
136.05209	2.8
137.05972	88.3
138.06274	1.6
141.06915	1.2
145.06480	5.0
146.03622	0.9
147.04358	1.9
147.08061	1.2
148.05180	2.2
149.05983	14.0
150.06729	1.5
151.03983	4.2
151.07539	100.0
152.06203	3.3
152.07921	1.5
153.06935	1.0
155.08507	0.9
157.06487	15.4
161.05978	15.8
161.09602	4.2
163.03903	3.1
163.06285	1.8
163.07544	21.6
165.07008	12.6
165.09105	5.2
166.07733	2.8
167.07063	2.9
167.08537	16.9
169.06476	3.9
169.09691	3.5
171.08101	1.1
173.06029	1.1
174.06795	7.2
175.07567	5.0
176.98924	1.8
177.05595	0.9
177.07011	2.5
177.09120	4.2
178.07791	6.4
179.08578	2.8
180.05717	1.0
181.06569	5.4
181.08559	0.9
181.10114	2.1
182.07236	3.8
183.08102	1.0
184.08871	2.1
187.07480	0.9
189.07372	2.0
189.09094	35.9
190.09369	1.1
191.08636	2.0
192.09317	2.3
193.06525	7.1
193.08481	1.2
193.10126	9.8
194.07242	3.4
195.08061	26.5
196.08748	2.6
197.06007	5.1
197.09628	2.6
199.07617	1.3
203.08575	2.3
205.06425	1.8
206.07256	2.0
207.08043	2.9
207.10161	6.6
209.05774	6.4
209.09592	3.6
210.06767	11.4
211.07506	4.5
212.08372	4.7
213.05095	1.1
221.06035	9.2
221.09561	12.9
222.06631	1.8
223.07547	13.1
224.08243	4.2
225.05469	2.6
225.09096	11.9
227.07037	2.8
227.10652	31.7
227.12901	1.5
231.08026	1.5
234.06940	1.0
235.07663	1.4
237.02890	1.5
237.05267	3.0
237.09071	3.7
238.06252	6.6
238.09920	1.8
239.06973	2.7
239.10706	1.8
240.07710	4.9
241.04750	0.9
241.08597	2.0
248.08577	1.1
249.09073	6.7
252.07835	1.8
253.08583	16.8
253.12234	15.9
254.09213	1.7
254.12215	0.9
255.06367	2.9
255.10164	32.8
256.10699	1.7
257.07962	0.9
266.09290	2.0
267.10123	7.3
269.08145	5.9
269.11783	2.8
270.08505	6.1
271.09637	3.4
272.10403	3.8
281.11743	7.5
282.12170	1.1
284.10492	1.9
285.11212	21.6
287.12775	57.4
288.13025	1.3
298.11914	2.4
299.09045	2.3
301.14426	2.2
310.08862	2.8
313.11005	1.3
313.14368	18.6
316.08942	10.9
331.11401	16.6
331.15375	13.1
331.26590	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1286
Annotation	Miraxanthin III
Peak:m/z	Relative Intensity
52.40461	0.4
55.01871	2.3
55.05505	0.5
56.96575	0.6
59.90950	0.4
60.04507	1.9
65.03911	0.5
67.05476	1.4
69.03391	0.5
69.07027	0.5
69.38654	2.2
69.39078	1.9
71.04980	1.9
79.05468	1.4
80.05014	0.7
81.03395	0.4
81.07063	0.7
85.02886	2.3
91.05496	3.1
93.07028	0.4
94.06578	2.3
95.04964	0.8
95.08576	0.5
98.98465	17.6
100.98884	0.5
105.07006	1.0
106.06544	1.8
107.04932	0.8
108.04491	3.1
108.08116	0.7
109.06546	0.5
110.06014	1.0
116.99483	0.5
119.04939	2.1
120.08112	1.0
121.06471	0.6
122.03584	0.6
122.06020	3.1
123.11714	0.5
124.07565	0.5
127.03888	0.6
129.06990	1.2
131.04868	0.6
133.10117	0.5
134.06020	1.0
135.04387	0.6
135.08069	0.6
136.03923	1.9
137.05969	6.7
138.93111	0.4
147.04405	1.4
148.03877	0.6
148.07550	1.1
149.05960	1.7
150.05455	0.9
151.03862	0.7
151.07555	7.1
151.11165	0.4
152.07095	0.5
157.06451	1.2
158.09627	0.5
160.07515	0.6
161.05925	1.1
161.07108	1.3
161.09717	0.6
162.05493	6.7
163.03903	2.6
163.06232	0.7
163.07553	1.8
164.07048	1.7
165.06992	1.1
167.07207	0.6
167.08546	1.7
168.06538	1.4
169.09827	0.7
170.08154	0.9
170.09616	1.3
172.06165	0.5
173.10704	0.9
174.06787	0.8
174.99217	1.0
176.07053	1.4
176.98927	1.9
181.06548	0.5
184.07542	1.2
184.11246	0.8
185.08189	0.5
186.07889	1.2
187.08699	1.7
187.12289	1.1
189.06575	5.9
189.09119	3.0
194.09709	0.5
195.08031	2.1
197.10756	0.7
198.09157	1.2
199.08676	1.6
200.09322	1.0
201.10214	6.3
203.08144	2.7
210.06696	0.8
211.08702	1.2
211.12259	1.0
212.10699	1.1
213.10158	1.9
214.07275	1.0
214.12631	0.5
215.08156	10.6
215.11656	3.7
216.10339	0.5
219.01717	0.6
221.05940	0.9
225.10164	1.3
226.08636	0.9
227.08179	1.4
227.10704	2.4
228.08873	1.3
228.12616	0.4
229.06186	0.9
229.09714	12.2
229.13116	2.1
231.11284	0.9
237.00677	1.2
239.11826	2.5
240.10165	0.9
241.09663	1.8
242.10548	1.4
243.07706	3.1
243.11285	5.4
247.14258	0.6
253.08868	0.9
253.12282	1.2
254.10573	0.7
255.10417	2.0
257.09222	7.9
257.12839	6.3
259.10760	0.8
261.12411	0.5
267.11365	3.1
268.09570	0.7
271.10748	7.3
275.11246	0.5
275.13766	2.6
281.11688	0.5
285.12372	10.4
287.12729	4.8
295.10797	3.8
303.13354	3.0
313.11685	14.2
314.12125	0.9
316.08661	0.5
331.12854	100.0
331.26678	1.9
332.13177	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	330.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61858	1.1
55.01855	4.4
55.05510	18.8
57.03425	7.3
57.07077	5.5
59.04989	2.2
65.03934	1.8
67.05502	48.6
68.05795	1.5
69.03413	4.0
69.07063	19.0
70.70432	3.5
71.04977	4.8
71.08620	3.8
77.81165	1.2
79.05061	1.5
79.05491	20.8
80.05824	1.8
81.03002	1.5
81.03405	8.8
81.06577	2.7
81.07053	49.6
83.04978	7.6
83.08611	12.6
85.06531	2.4
87.04471	1.8
89.03947	1.6
91.05479	22.3
92.05820	1.9
93.07038	27.4
94.06681	1.0
94.07362	3.1
95.04984	9.2
95.08046	2.3
95.08606	26.0
97.06533	6.2
97.10163	9.2
98.98464	100.0
99.08080	4.3
100.98875	2.4
105.07037	15.5
107.04928	2.6
107.08591	26.1
108.08923	4.7
109.06486	5.3
109.10153	30.0
111.08067	4.9
116.99485	3.8
117.03372	2.4
117.06982	2.5
119.04940	10.4
119.08576	11.1
120.05271	2.9
121.02896	1.6
121.06454	1.5
121.10134	13.1
123.08067	4.2
123.11700	11.1
125.09625	19.3
129.06955	1.6
131.08539	3.3
133.10143	11.2
135.04396	4.4
135.08046	3.7
135.11705	9.3
136.12022	5.5
137.09612	6.3
137.13249	1.7
139.11197	11.4
140.01031	2.5
141.12730	1.3
143.08502	1.8
145.02867	6.3
145.10101	2.4
146.03200	2.2
147.04405	40.0
147.11656	4.7
148.04733	13.1
149.09569	3.0
149.13257	4.1
151.11137	4.2
153.09071	2.6
153.12666	2.7
155.10658	12.6
157.10078	1.3
161.13258	4.5
163.03903	33.9
163.11328	1.2
163.14868	1.4
165.12801	2.4
167.10674	15.0
173.11745	27.1
173.13164	1.1
174.99181	7.0
175.11246	1.7
176.98920	7.0
177.05464	5.3
178.05801	6.7
179.14304	2.1
181.04964	1.7
189.11230	6.3
192.10289	1.7
193.12180	3.6
211.13321	2.5
213.09029	1.2
214.09450	1.6
231.21071	1.5
241.19415	1.6
249.22166	1.6
252.99759	1.8
259.20450	3.1
277.21631	24.6
294.24307	1.3
295.22717	19.5
314.10254	2.0
330.13419	6.4
330.17389	1.8
330.24289	7.8
330.30066	2.8
330.33673	2.4
331.04611	1.5
331.15283	3.3
331.18823	1.5
331.26590	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.7
55.01864	4.0
55.05514	43.3
57.03419	2.4
57.07068	2.0
59.04989	2.4
62.21004	1.2
65.96971	1.3
67.05176	1.2
67.05505	16.6
69.03439	5.8
69.07066	10.4
70.85311	2.7
70.85673	2.6
71.08632	6.5
75.02846	1.1
77.44688	1.1
79.05494	9.8
81.03442	1.8
81.07059	19.2
83.04974	3.9
83.08141	2.8
83.08620	31.3
85.06552	1.7
87.04478	1.3
89.03934	3.8
91.05482	6.5
93.07036	10.4
95.04961	5.0
95.08585	6.1
97.06510	2.1
97.10175	64.7
98.10492	1.6
98.98466	38.7
99.08089	5.5
101.09695	1.8
105.06374	2.1
105.07027	21.7
107.04933	1.7
107.08598	21.8
109.06523	2.4
109.10181	8.6
111.08067	2.6
116.99426	1.6
117.03371	3.8
117.31126	1.3
119.04948	2.1
119.08556	2.1
121.10132	3.6
123.11707	9.1
125.09634	59.5
126.12768	2.2
133.10136	39.1
135.04420	9.3
135.08012	3.9
135.11656	3.2
139.11148	3.2
143.10681	3.4
145.02869	7.3
146.03223	1.2
147.04433	12.5
149.09645	1.7
149.13216	1.5
151.11203	10.6
153.09097	3.4
157.10071	1.3
161.13211	2.9
163.03911	72.2
163.11247	2.1
164.04265	9.2
167.10703	5.9
170.11676	1.5
171.10146	5.0
174.99307	1.5
176.98933	2.3
179.14304	3.4
189.11221	100.0
190.11557	3.7
190.44368	1.3
190.91418	1.3
193.15755	1.4
225.25566	1.2
241.19537	2.7
259.20511	3.1
274.51959	1.2
277.21631	53.0
278.21973	2.9
280.14185	1.2
295.22739	12.7
330.13623	2.6
331.15396	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	330.2638
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.8
55.01865	8.2
55.05510	42.4
57.03432	14.9
57.07067	12.7
59.05003	5.4
65.03913	5.4
67.05505	100.0
69.07063	47.4
69.31351	13.8
69.31770	26.9
71.04990	9.7
71.08623	4.7
79.05495	42.6
81.03397	13.0
81.07052	97.1
83.04977	23.0
83.08624	27.8
87.04469	6.8
91.05463	27.2
93.07045	50.2
95.04958	16.3
95.08601	43.4
97.06526	13.2
97.10175	16.7
98.20778	6.2
98.98460	48.6
99.08078	7.3
105.07040	22.1
107.08591	30.0
109.06536	7.8
109.10152	63.3
111.08078	10.7
117.06984	4.5
119.08555	23.3
121.10125	22.0
123.11703	15.8
125.09642	21.9
131.08537	4.7
133.10130	14.4
135.11682	18.0
136.52325	3.7
137.09612	11.6
137.13281	4.9
139.11174	34.6
141.12737	5.8
145.10175	3.4
147.04398	29.1
147.11670	10.5
149.13254	12.3
153.12793	5.2
155.10669	24.1
161.13249	11.3
163.03893	7.1
163.14841	8.4
165.12682	7.0
167.10751	9.3
171.11726	4.0
173.11745	72.1
173.13162	7.8
175.11203	4.5
175.14825	5.1
189.11159	5.8
193.12228	14.2
207.94856	3.9
211.13275	17.0
241.19377	7.2
259.20541	9.1
277.21619	77.6
283.35236	4.2
294.24353	4.9
295.22647	48.1
328.79410	3.4
330.30106	12.1
330.33716	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	330.1696
Annotation	Dehassiline
Peak:m/z	Relative Intensity
50.57915	0.4
61.82016	0.5
69.72206	3.1
73.10960	0.4
91.05472	1.5
93.40961	0.4
98.21477	0.7
98.98446	1.0
107.94087	0.4
114.87852	0.4
115.05442	3.9
115.60825	0.5
117.06975	0.5
119.04950	1.0
122.03639	1.1
125.09707	0.4
131.04855	0.5
137.05972	33.3
138.06302	0.4
143.04924	14.5
145.06520	0.6
151.07533	3.7
160.05191	1.1
160.07530	0.5
163.07507	0.7
167.08513	0.7
175.07552	13.8
177.07858	10.1
178.08658	1.1
179.08533	1.2
192.10184	100.0
193.10519	1.2
195.08093	1.3
207.08054	2.6
223.07356	0.8
224.46997	0.5
227.10667	1.3
235.07549	1.0
239.10701	2.1
255.10080	0.6
267.10107	2.5
269.08200	0.8
269.11688	0.5
287.12772	0.8
299.12772	5.7
330.16983	68.4
331.17325	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	330.2425
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	3.2
55.01860	1.8
55.05510	12.2
56.05028	7.5
56.93999	1.3
57.07070	9.4
62.05198	1.7
67.05499	29.0
69.07067	13.6
70.06577	5.9
79.05479	15.4
81.07053	43.2
83.08607	5.5
83.69479	1.5
85.10175	1.9
88.07622	13.0
91.05476	43.0
92.05804	2.6
93.06476	2.8
93.07040	46.1
95.04957	5.7
95.08603	58.0
97.10204	2.9
97.19836	1.6
98.98460	100.0
100.98827	2.4
102.09171	3.6
103.05434	1.6
105.07025	76.1
106.08651	6.9
107.04944	2.7
107.08582	39.4
108.08900	1.8
109.06469	3.2
109.09460	2.7
109.10149	36.6
110.06030	16.6
116.99487	4.4
117.06963	3.6
119.04951	9.5
119.08571	50.9
120.05299	3.4
121.10149	25.5
123.08004	2.3
123.11698	11.8
125.09582	3.0
127.03904	2.4
128.07057	7.4
128.69070	1.5
131.08545	4.9
133.10124	39.3
134.10547	1.7
135.11661	7.4
139.11160	2.6
140.01064	4.1
145.10095	3.9
147.04405	21.9
147.11674	87.3
148.04752	2.9
148.12003	3.0
149.09499	2.5
159.08249	1.5
161.13229	14.3
163.03909	7.3
167.10661	3.4
174.99219	6.1
175.14777	6.8
176.98868	7.6
188.63249	1.6
192.10179	2.4
203.17943	25.0
204.18219	2.2
213.09023	3.0
214.09433	4.2
238.09380	1.9
272.09839	1.7
312.32504	3.7
314.09824	1.9
330.13409	5.2
330.24338	24.5
330.33609	89.2
331.04495	1.7
331.34094	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02446	0.4
55.01869	9.3
55.02108	0.8
55.05507	3.6
56.96566	0.5
57.03433	13.1
57.07073	0.5
60.02168	0.5
60.04542	0.6
61.02945	0.5
67.05503	2.6
69.03407	2.6
69.07056	2.6
71.62518	0.6
71.62893	0.6
73.02911	5.2
73.03229	0.4
79.05504	3.8
81.03423	1.8
81.07050	4.1
83.04981	5.4
83.08640	2.0
85.02941	0.6
85.06531	0.6
87.04513	0.6
91.05461	3.5
93.07028	2.6
94.04202	2.0
95.04980	2.3
95.08589	2.5
95.40292	0.4
96.08952	1.1
96.85329	0.5
97.02887	0.6
97.06530	3.1
97.10194	0.8
98.07354	1.1
98.98463	43.8
100.98911	0.8
101.00897	0.8
101.05969	2.4
105.07050	2.0
107.04973	1.8
107.08591	2.4
109.06522	0.7
109.10181	1.0
110.07278	1.0
110.10490	0.7
111.08096	1.7
116.04709	18.0
116.98774	0.5
116.99543	2.2
117.05532	1.0
119.01922	3.2
119.04976	1.4
119.08579	1.0
120.09402	0.6
121.06525	1.6
121.10176	1.6
123.08099	2.5
123.11768	0.9
125.09676	0.7
127.03917	0.6
129.05472	36.9
131.08629	0.9
133.10141	1.4
134.29138	0.5
135.08115	0.5
135.11719	1.1
137.03014	0.5
137.06001	1.8
137.09621	0.8
140.01147	0.9
143.01950	1.4
143.07027	14.0
143.97806	0.5
146.11017	0.6
147.04401	4.2
147.11679	0.7
149.06047	1.1
149.09612	1.0
152.06190	1.8
155.07027	0.7
157.03488	1.2
157.08601	25.9
158.08971	0.6
161.02933	3.9
163.03918	2.0
163.11179	1.1
164.11945	0.9
167.07098	1.0
171.10158	4.1
174.99228	2.9
175.04533	1.2
175.99547	1.0
176.98883	3.9
177.99417	0.6
179.07043	0.8
180.04301	0.7
180.05623	3.0
181.06352	1.1
181.12262	0.7
184.05093	0.6
185.11699	3.5
187.00928	1.2
193.12283	0.9
194.03685	1.5
196.05234	0.9
197.05986	0.7
198.06708	1.1
199.07495	0.5
199.13283	3.5
200.14066	11.2
203.03995	1.3
207.06612	1.1
208.05188	54.8
209.05605	2.7
211.03873	1.3
211.13333	0.9
212.04633	1.2
222.03142	1.1
223.13205	0.6
224.04697	2.2
225.05499	3.3
226.06154	4.0
227.07092	1.8
227.12866	0.7
229.01912	1.1
229.04919	0.7
236.04677	13.2
237.05225	1.1
239.07030	0.8
240.04158	8.3
241.04909	0.9
241.08615	2.2
242.09019	1.0
243.06425	0.7
244.07269	0.7
247.03075	0.7
252.99849	0.6
254.05756	13.3
255.06342	1.7
255.15891	1.8
257.04462	5.0
257.08212	1.0
264.04233	1.6
267.06506	1.5
268.03748	4.6
269.08069	38.2
270.08453	3.1
271.06009	3.1
271.09497	1.4
272.06784	5.7
273.07278	0.6
282.05228	5.1
285.07663	0.6
286.04736	1.8
286.08463	1.3
287.09100	4.5
297.07562	1.7
299.05649	0.9
299.09012	0.9
300.06201	4.2
301.07059	4.2
315.08603	93.7
316.09027	5.4
330.10941	100.0
331.04822	0.8
331.07962	0.9
331.11551	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	330.1097
Annotation	Fluridone
Peak:m/z	Relative Intensity
50.85994	0.2
55.01872	1.2
55.05491	0.6
57.03438	1.3
60.04515	0.5
67.05493	0.3
69.03404	0.9
71.51478	0.2
71.59078	0.3
73.02916	0.4
75.54260	0.2
79.05462	0.5
80.87000	0.2
81.03381	0.3
81.07038	0.3
83.04968	0.7
85.02882	0.3
87.04447	0.6
91.05469	0.9
93.07021	0.5
94.04137	0.3
95.04948	0.5
95.34791	0.2
97.02859	0.5
97.06496	0.3
97.10187	0.2
98.98459	13.1
100.98856	0.3
107.04941	0.4
107.08575	0.4
109.10177	0.3
114.04655	0.2
115.03919	0.7
115.05396	0.3
116.04720	1.7
116.99475	0.7
117.06958	0.2
119.01846	0.2
119.04963	0.9
121.06443	0.3
123.04404	0.4
123.08083	0.3
127.03927	0.3
129.05469	3.7
131.08650	0.2
133.04947	0.7
133.06459	0.2
137.05988	0.3
143.06981	1.1
147.04388	3.0
149.09540	0.3
151.07539	0.3
152.06131	1.5
153.06923	0.5
154.04062	0.3
157.08585	2.5
158.82846	0.2
163.03908	1.1
164.04140	1.0
165.06917	0.2
167.06964	0.3
167.10597	0.3
171.10173	0.5
174.99207	0.9
175.99547	0.3
176.98878	1.2
178.08698	0.2
180.05649	2.9
181.06483	0.6
182.07278	0.3
184.05135	0.3
185.11705	0.4
192.10106	0.5
194.03557	1.1
196.05070	0.4
197.05945	0.6
198.06723	0.7
199.07408	0.3
200.14034	1.2
206.08058	0.7
208.05180	49.0
209.05592	2.4
210.06706	0.5
211.03944	1.8
211.07452	0.3
212.04633	1.2
213.05475	0.4
222.03087	0.7
224.04657	1.6
225.05475	2.3
226.06235	3.1
227.03333	0.2
227.06995	1.6
229.04993	0.7
236.04672	11.1
237.05202	0.4
238.06200	0.4
239.03355	0.5
239.06982	0.5
240.04149	8.0
241.04779	0.5
241.08563	1.8
242.05731	0.3
243.06384	0.5
244.07335	0.4
250.02643	0.3
252.99751	0.4
253.04947	0.7
254.05727	12.9
255.06302	1.0
255.15942	0.3
256.07281	0.3
257.04443	5.8
257.08194	0.4
258.04971	0.3
264.04114	1.4
267.06482	1.0
268.03693	4.2
269.08060	33.9
270.08371	2.0
271.05991	2.8
271.09531	1.2
272.06747	6.0
273.07419	0.6
274.08612	0.3
282.05215	5.6
283.05722	0.7
285.03906	0.4
285.07605	0.4
285.11212	0.5
286.04675	1.3
286.08328	1.0
287.09113	5.0
297.07501	1.5
299.05408	0.8
299.09088	0.6
300.06277	4.5
301.07007	3.5
314.07654	0.6
315.08591	93.1
316.08951	5.1
330.10928	100.0
331.11441	8.1
345.04514	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2684
Annotation	2-palmitoleoyl-glycerol
Peak:m/z	Relative Intensity
51.05800	0.7
55.01863	1.5
55.05271	0.7
55.05510	12.8
55.40138	0.8
57.03429	2.2
57.07067	7.9
63.59756	0.7
67.05505	7.8
69.07063	17.9
69.33957	2.1
69.34371	5.6
71.08610	5.0
75.04482	1.4
79.05488	6.0
79.70114	0.7
81.07056	8.3
83.04974	1.3
83.08616	13.7
85.06564	0.7
85.10172	2.4
91.05492	4.9
93.07038	7.7
95.04974	1.2
95.08595	7.0
97.06545	4.8
97.10165	10.9
98.98460	100.0
100.98897	0.9
101.06030	0.9
103.05485	0.9
105.07037	1.3
107.04952	6.1
107.08591	7.1
109.10157	2.5
111.08069	2.5
111.11699	3.5
115.07541	1.2
116.04703	2.0
116.99496	5.3
117.07015	3.0
119.04932	6.4
121.02856	1.8
121.06565	1.0
121.10136	10.0
123.04397	1.3
123.11691	2.9
125.09637	1.1
129.01877	0.9
129.05482	2.7
135.04404	3.5
135.11682	8.5
137.13240	2.0
139.11185	1.4
140.01076	3.3
145.06465	3.7
147.04399	18.6
148.53964	0.7
149.13260	3.4
151.14792	0.9
153.12726	0.8
157.08659	1.3
157.12314	0.8
161.05934	0.8
163.14801	1.8
165.05469	1.6
167.07199	0.9
167.14328	1.1
171.04387	1.4
174.99213	12.0
176.98914	6.1
177.16393	1.0
181.04985	1.3
182.07458	0.8
213.09123	2.2
217.04955	2.3
219.21088	10.5
235.05951	5.5
237.09206	3.5
237.22136	7.9
250.99823	1.1
252.99779	2.3
254.09496	1.1
255.23221	2.2
311.09149	1.5
311.25842	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	329.3048
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.5
55.01844	0.4
55.05515	3.8
56.07160	0.4
57.03447	0.7
57.07065	1.9
57.87423	0.4
67.00114	0.4
67.05502	4.8
69.07073	9.2
69.91496	2.6
71.08620	1.4
74.16244	0.4
79.05486	2.0
81.07059	15.2
83.04954	0.4
83.08614	4.9
85.06548	2.0
91.05479	1.2
92.26924	0.4
93.07019	2.3
95.04965	0.7
95.08611	14.3
97.06548	0.9
97.10179	3.4
98.98466	100.0
99.08086	1.2
100.98892	1.0
105.07049	0.6
107.04965	0.7
107.08606	2.1
109.06483	0.6
109.10154	7.8
111.08077	0.6
111.11711	2.9
116.04700	0.5
116.99500	4.9
119.04951	1.2
119.08520	0.7
121.10139	1.7
123.08108	0.4
123.11706	4.6
125.13274	1.4
127.11188	0.4
129.05476	0.8
129.58992	0.4
130.89731	0.4
135.11713	1.6
137.06000	1.4
137.13257	1.9
140.01057	1.5
143.07024	0.5
143.14246	0.6
147.04399	4.0
149.13300	2.0
151.14841	1.5
157.08624	0.6
163.03923	1.2
163.14801	0.7
165.16466	0.8
174.99231	9.6
176.98909	5.0
177.16408	0.6
180.05658	0.6
181.06529	0.5
183.08080	0.5
183.11406	0.4
185.06007	0.5
191.17918	0.4
193.19548	0.4
193.85078	0.4
197.05975	0.6
198.06729	1.0
200.14233	0.4
208.05182	10.2
213.08965	0.5
225.05490	1.2
226.06203	1.6
227.07007	0.9
236.04666	2.5
239.07031	0.7
240.04178	2.1
241.08611	2.1
251.00064	1.0
252.99750	2.6
254.05745	3.8
257.04413	1.5
268.03619	1.0
269.08044	10.5
271.06024	1.6
272.06778	1.7
275.27249	0.8
281.28470	0.6
282.05359	1.5
283.05890	0.5
285.07663	0.7
286.08221	1.0
287.09213	1.0
293.28418	1.4
297.07498	0.8
301.07138	0.8
301.10544	0.8
311.29395	0.9
315.08624	25.5
329.06537	0.9
329.10165	3.5
329.13318	0.6
330.10925	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	329.1592
Annotation	Rhododendrin
Peak:m/z	Relative Intensity
53.03938	1.6
54.73790	0.9
55.01855	1.5
57.03431	1.9
58.04010	0.8
58.06590	1.4
59.77938	0.8
61.02913	0.9
65.03943	1.3
67.05486	3.2
69.03428	4.0
69.07079	4.8
70.06581	0.8
70.80083	2.3
70.80431	1.0
71.04978	0.8
79.05492	9.4
81.03422	1.3
81.07048	4.4
83.04983	1.1
85.02901	5.1
88.40643	0.8
89.49695	0.7
89.79738	0.7
90.62913	0.7
91.04960	1.2
91.05482	13.5
93.07046	9.1
95.04946	2.5
95.08585	3.0
97.02882	1.5
97.06516	1.4
98.98463	100.0
99.04436	1.2
105.07030	6.0
107.04959	2.1
107.08592	58.0
108.08958	0.9
109.06509	10.3
111.04447	2.1
115.05444	1.0
116.06283	1.7
116.99521	3.6
119.08597	1.4
120.08064	1.9
121.06493	4.3
121.10126	9.7
123.04419	2.2
123.08067	4.2
123.11694	0.8
125.05976	1.0
125.09627	16.6
127.03902	1.5
129.06975	1.6
131.08554	12.7
135.04408	1.0
137.09637	0.9
139.11179	2.0
140.01018	0.9
145.10120	0.9
149.09608	42.2
154.09967	0.9
158.15129	0.7
158.31168	0.8
167.10672	50.2
168.10970	0.9
174.99210	12.1
176.98946	7.0
219.46176	0.7
252.99661	2.8
286.11447	0.9
329.12326	1.4
329.15811	5.3
345.03687	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1591
Annotation	Rhododendrin
Peak:m/z	Relative Intensity
53.03929	1.7
55.01855	1.9
55.05490	3.1
57.03431	9.2
59.04987	0.9
61.02934	6.1
66.96622	0.8
68.85116	0.8
69.03424	23.2
70.06074	3.8
71.04979	2.3
73.02901	3.6
75.04456	1.8
79.05473	4.9
79.50077	0.8
81.03408	7.5
81.07061	4.9
83.08593	3.2
85.02898	35.5
87.04459	4.7
91.03931	2.5
91.05477	7.7
93.06471	1.5
93.07039	24.9
95.04967	2.1
95.08596	2.6
97.02885	14.5
98.98460	63.1
99.04443	3.4
105.07010	3.0
107.04941	1.4
107.08586	8.2
109.02870	5.5
109.06515	15.7
111.04417	1.1
111.07353	1.5
111.08073	19.9
116.06171	1.1
116.99458	2.8
119.08575	1.7
121.06487	3.5
121.10144	15.5
123.08059	2.0
123.11700	1.7
127.03893	10.9
131.08565	13.4
133.10123	1.0
135.08022	1.2
139.11162	1.5
145.04971	4.8
145.10124	1.5
147.08015	1.5
149.09612	46.3
151.11150	9.1
163.11195	1.4
167.10666	92.3
168.10989	1.9
174.99245	4.7
176.98923	3.2
177.09088	1.1
191.10750	1.6
209.11676	1.1
251.03854	0.9
252.99796	1.9
255.12207	1.7
268.44495	0.8
311.15140	1.0
329.15918	100.0
330.16266	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1016
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	2.0
57.27853	1.9
69.42759	9.8
69.43185	11.4
73.05437	2.2
91.05473	58.1
95.04942	3.6
98.98440	15.9
99.00811	30.1
103.64965	2.1
107.04952	34.0
117.01846	8.4
119.04934	100.0
120.05733	4.1
121.02807	3.4
121.06464	3.4
123.33174	2.5
129.17833	2.2
133.06432	2.5
135.04367	10.2
145.06477	5.8
147.04401	53.0
147.06319	2.3
152.06190	3.4
167.08563	7.6
177.06947	3.7
177.93657	2.1
181.04918	4.2
195.08015	7.8
201.45673	1.9
212.08194	5.2
213.09087	95.0
219.07961	2.3
219.38086	2.4
223.07419	3.9
237.09070	9.7
247.07640	2.7
293.07990	2.8
322.44357	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	329.1382
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.7
57.03428	0.6
67.05511	1.2
69.07063	0.9
69.29404	2.9
69.29830	1.0
71.04980	0.5
79.05470	1.9
81.03424	0.4
81.07036	2.0
82.07423	0.4
83.04961	0.4
83.08640	0.6
85.02899	1.1
86.09708	0.9
89.03918	5.5
91.05481	1.4
93.07034	1.6
95.04975	0.8
95.08618	1.5
98.98463	100.0
100.98923	0.9
105.07028	1.6
107.04957	2.4
107.08598	2.5
109.06491	0.6
115.05491	0.5
116.99503	4.5
117.03372	7.3
119.04910	0.6
119.08585	0.4
121.10120	1.9
123.04381	0.5
123.08075	0.5
131.08604	0.5
132.40636	0.4
135.04411	17.3
137.05988	1.1
140.01071	1.6
145.02837	10.0
147.04390	2.4
149.09616	2.1
158.05998	0.5
163.03899	95.3
164.04242	2.1
167.07004	0.6
167.10760	1.1
174.99214	10.1
175.07585	0.7
176.98901	5.0
180.05713	0.4
186.05646	0.5
194.03665	0.5
195.08073	0.4
206.08272	0.8
208.05190	6.6
223.70804	0.4
225.05392	0.7
226.06126	0.5
227.07079	0.4
230.84650	0.4
236.04704	1.5
240.04155	1.2
241.08653	0.7
251.00052	1.2
252.99654	2.1
253.08420	0.5
254.05766	1.7
254.08783	0.6
257.04514	0.7
266.08948	0.7
269.08130	4.8
272.06787	0.8
282.05133	1.1
283.09500	0.8
285.11035	0.5
287.09164	0.6
298.11749	0.4
300.06271	0.6
301.06940	0.4
315.08609	13.4
329.10126	0.9
329.13583	0.7
329.25790	1.1
330.10873	14.4
345.04462	0.7
353.29788	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1017
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.0
55.05494	2.0
57.07061	1.1
65.03925	1.1
67.05492	1.5
69.07057	3.5
70.51599	2.3
71.08612	1.2
79.05460	0.8
81.07034	1.9
83.08603	2.7
84.62403	0.5
91.05472	7.2
93.07036	2.4
95.01326	1.1
95.04971	4.7
95.08588	1.7
97.10176	2.6
97.64551	0.5
98.98459	46.3
103.05453	7.2
105.07025	4.7
107.04942	4.5
107.08585	1.4
109.10136	1.0
111.04404	1.4
111.11693	0.6
115.05440	7.1
116.99506	1.6
117.07008	44.9
118.58241	0.6
119.04938	11.8
121.02867	16.1
121.06467	2.3
121.10098	1.7
123.04418	10.1
123.11642	0.8
127.05437	1.2
128.06203	2.0
129.06987	2.0
131.04901	2.4
133.06476	13.5
135.11682	1.1
140.01051	1.1
143.04915	1.6
144.05672	0.9
145.06476	39.7
146.06763	1.3
147.04399	43.8
149.13242	0.9
155.04889	1.4
155.06029	5.6
161.05978	7.1
165.05466	13.3
165.06863	0.8
171.04372	19.4
171.05479	1.4
172.04692	0.6
173.05963	2.5
174.99197	3.5
175.03909	3.2
176.98871	1.4
189.05458	9.6
191.06995	1.9
191.08507	0.8
195.08046	0.7
197.05963	0.7
199.03874	7.6
203.08586	0.5
205.26830	0.5
217.04938	34.6
218.05243	1.1
218.07173	0.6
219.08066	1.9
219.21036	2.2
223.07422	1.1
235.05992	100.0
236.06293	2.1
237.09088	3.5
237.22131	1.1
247.07562	5.2
251.06934	1.3
254.60274	0.6
265.08591	5.0
281.80826	0.5
283.09650	0.9
293.07983	1.1
311.09119	18.0
311.25671	1.8
312.09518	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2481
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.7
55.05508	5.5
57.03418	1.1
57.07071	0.4
58.06598	1.0
64.09384	0.4
65.03931	0.4
67.05503	12.8
69.03432	0.7
69.07063	4.8
70.69140	1.5
71.04987	1.2
79.05053	0.7
79.05492	9.8
81.03413	1.5
81.07055	9.0
83.04954	0.8
83.08617	2.2
85.06535	0.8
89.03899	0.5
91.05479	8.0
93.07040	9.6
95.04970	4.3
95.08604	7.0
95.97798	0.4
97.06542	0.8
97.10168	2.1
98.98462	100.0
100.98895	0.7
105.07024	6.1
107.04921	0.9
107.08596	7.2
109.06492	0.9
109.10154	8.7
111.08087	0.7
116.99506	5.0
117.07003	1.4
119.04917	1.2
119.08579	5.0
121.06477	1.1
121.10146	5.6
123.11747	0.8
125.09609	1.9
129.06995	0.5
131.08586	2.5
133.10143	3.5
135.04390	0.4
135.11678	1.4
137.09619	3.4
139.11171	0.4
140.01086	1.6
141.07030	0.4
145.06531	0.4
145.10121	2.1
147.04404	4.6
147.08104	0.6
147.11697	1.5
148.04700	1.1
149.09648	0.9
149.13268	0.7
153.09132	0.5
155.10641	0.6
157.10175	0.5
159.11694	1.2
161.13283	0.8
163.03891	2.8
172.13243	0.5
172.94366	0.5
173.11758	5.0
173.13144	0.9
174.99232	11.4
175.00481	0.4
175.85570	0.4
175.99567	0.9
176.98915	4.2
181.12149	0.5
189.11256	0.7
190.95467	0.7
193.12221	0.6
211.13225	0.5
223.13315	0.5
232.96422	0.8
235.16940	0.7
250.99998	0.9
252.99768	1.7
265.08585	2.2
275.20074	4.1
283.09634	0.9
292.22778	0.8
293.21179	0.7
297.11197	0.8
328.15448	2.8
328.18872	0.4
328.24631	0.4
328.28482	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2479
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90489	0.4
53.03943	0.9
55.05505	3.9
56.96547	0.7
57.03429	1.7
57.07027	0.5
58.06604	3.0
59.04983	0.4
65.03931	0.5
67.05502	8.5
69.03452	0.7
69.07068	5.6
70.12277	1.9
71.04982	0.7
71.18187	0.4
71.79317	0.4
72.68353	0.4
79.05491	8.3
81.03410	1.1
81.07059	10.5
83.04978	1.7
83.08609	1.5
85.06537	1.0
91.05482	8.0
92.05817	0.4
93.07041	14.6
94.07372	0.5
95.04974	3.4
95.08611	4.6
97.06521	2.1
97.10181	1.7
98.98465	100.0
99.08087	0.5
104.54575	0.5
105.07037	4.9
107.04937	0.9
107.08598	12.6
108.08890	0.8
109.06525	3.6
109.10160	4.4
111.08087	0.7
116.99500	4.9
117.03366	0.6
117.06994	1.3
119.04939	4.0
119.08580	3.8
121.06503	1.2
121.10119	2.2
123.08069	0.7
123.11719	0.9
125.09615	0.6
131.08537	2.6
133.10149	4.5
135.04445	1.1
135.08076	0.6
135.11696	8.1
136.12073	0.6
137.09641	0.5
139.11182	0.7
140.01056	2.6
145.02832	0.7
145.10126	1.5
147.04410	19.4
147.11713	2.0
148.04735	0.6
149.09634	1.1
149.13258	1.0
149.71375	0.4
151.11143	0.6
159.11708	1.5
161.09612	0.8
161.13223	0.7
163.03923	4.2
163.11218	1.1
163.62474	0.4
165.12804	1.5
173.13251	0.6
174.99234	11.2
175.99573	0.8
176.98912	4.3
177.12781	0.7
181.12263	1.5
183.11731	0.6
189.11174	0.6
190.95395	0.8
193.12350	0.6
195.13800	1.1
198.17537	0.5
205.06502	0.5
207.58777	0.4
208.94563	0.4
208.96339	0.7
209.09657	0.6
211.55803	0.4
214.75348	0.5
223.04593	0.6
223.07642	0.7
232.96509	1.3
233.06105	0.7
237.09140	0.6
239.17833	0.6
250.97560	1.4
251.00089	1.1
251.06897	1.1
252.99803	1.7
254.99384	0.5
257.03433	0.7
257.18909	1.0
265.08655	4.6
266.08920	0.5
275.20023	4.7
280.94946	0.4
283.09683	1.3
288.15347	0.5
293.21051	1.0
297.11328	1.1
312.12573	0.5
328.15469	6.4
328.18985	3.2
329.17462	3.1
351.07126	1.4
352.07413	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2479
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.6
55.01870	1.9
55.05508	16.4
56.41525	0.4
56.89849	0.4
56.96563	0.8
58.06588	0.7
59.04993	0.9
65.03941	1.1
65.95290	0.5
67.05499	8.4
69.03421	2.6
69.07064	10.3
71.14612	0.9
71.14933	0.7
77.03909	0.5
78.89061	0.4
79.05053	0.9
79.05488	11.6
79.85167	0.5
81.03405	0.8
81.07052	7.4
83.04975	1.6
83.08619	11.8
85.06525	0.5
91.05476	16.3
93.07031	15.4
95.04967	3.8
95.08600	6.4
97.06533	1.0
97.10163	24.6
98.98460	66.4
103.05437	1.0
105.07025	7.2
107.04944	1.0
107.08586	30.2
109.06506	1.4
109.10143	2.7
111.08054	0.8
116.99470	2.5
117.06996	1.9
119.04941	16.7
119.08566	6.3
121.06547	0.7
121.10130	1.8
123.08010	0.6
123.11704	0.7
124.11185	0.7
125.09621	22.0
131.04887	0.5
131.08566	1.2
133.10097	2.8
135.08078	1.9
135.11696	2.0
137.09625	0.7
140.01025	1.2
143.10683	1.5
145.10121	1.8
147.04401	100.0
147.11638	2.2
148.04745	1.9
149.09647	2.9
153.09091	1.3
159.11694	1.7
161.13271	1.9
163.11143	1.4
165.09090	0.9
166.92732	0.4
170.11880	0.7
171.10139	1.9
171.11636	0.5
172.94286	0.6
173.13301	0.7
174.99228	7.9
176.98882	2.2
179.14215	0.8
181.12270	1.1
189.11201	33.1
190.95364	0.8
208.96396	0.9
215.14211	0.5
232.96365	1.4
239.17928	1.5
241.05591	1.1
250.97600	1.2
250.99995	0.7
252.99701	1.1
257.18921	3.3
265.05664	0.6
265.08606	1.5
275.20044	31.1
276.20251	0.8
293.21124	4.0
297.11081	0.9
311.96545	0.5
328.15302	1.6
328.18921	0.7
329.13785	18.1
339.14276	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.1905
Annotation	(+)-Parvinine
Peak:m/z	Relative Intensity
58.06591	1.1
63.67889	0.2
67.05480	0.2
69.61445	2.0
79.05479	0.7
81.07049	0.2
91.05474	2.8
93.07036	0.5
95.04959	0.9
98.21499	0.3
98.97846	0.4
98.98466	5.6
103.05458	0.6
105.07014	2.8
106.04192	0.3
107.04965	0.9
107.08580	0.3
109.06507	0.6
115.05410	0.3
116.99489	0.3
117.06979	0.3
119.04912	0.4
121.06497	93.5
122.06841	2.4
124.11771	0.2
128.06245	0.5
129.06993	0.8
131.04918	0.7
131.08519	0.3
133.06496	0.6
135.08051	9.1
135.09103	0.4
136.05170	0.6
136.08351	0.3
137.05984	0.5
143.04948	0.5
144.05708	3.5
145.06483	1.8
146.07225	0.5
147.08095	1.8
149.09547	0.4
150.06720	0.3
151.07538	9.4
152.07889	0.4
158.07257	4.8
159.04445	0.9
159.08046	9.6
161.05983	0.4
161.09644	0.5
163.07571	1.4
165.09149	2.2
166.09549	0.2
173.09538	0.4
174.06755	7.3
174.09116	0.5
174.99258	0.6
175.07314	0.4
176.08293	0.8
176.10690	0.4
177.09094	1.1
188.10712	0.4
189.09100	17.2
190.09558	0.8
191.08653	0.3
191.10643	0.6
192.10220	1.0
193.10219	0.3
195.08127	0.3
206.11757	2.1
207.07927	0.5
208.08803	0.5
209.09563	0.4
210.06758	0.8
210.10248	0.4
211.11163	0.6
213.41138	0.3
219.08034	0.5
220.08583	0.3
221.06010	0.9
223.11182	0.6
225.09155	0.4
225.12721	1.0
233.05852	0.3
234.10269	0.3
235.07562	1.4
235.11221	1.0
236.08205	0.7
237.09032	1.0
238.09833	0.9
239.10703	1.3
247.07518	0.5
248.08372	0.9
249.05434	2.6
249.09122	0.4
250.06030	0.3
250.09888	0.3
251.06848	0.4
251.07991	0.4
251.10660	5.7
253.08501	0.5
253.12230	1.3
254.12895	1.4
255.10248	0.5
263.07086	0.8
264.07803	1.1
265.08594	1.8
265.12244	0.9
265.14886	0.3
266.13010	9.4
267.10144	1.5
267.13034	0.4
268.10870	0.5
269.11758	0.3
270.12387	1.2
271.13156	0.5
278.09445	0.4
279.10229	2.0
280.10751	1.3
281.08102	2.8
282.12473	5.6
285.14807	2.6
286.15210	0.4
296.10446	6.1
297.11206	1.0
297.14822	23.1
298.15143	1.7
299.16403	0.7
311.12775	11.4
312.13107	0.8
328.15698	4.1
328.19037	100.0
329.06418	0.3
329.16147	0.3
329.19382	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	328.1541
Annotation	BOLDINE
Peak:m/z	Relative Intensity
55.41096	0.3
58.06599	3.3
60.39212	0.4
63.05283	0.3
64.40768	0.4
70.01316	1.8
70.01725	0.6
83.93951	0.4
95.47715	0.4
98.20747	0.4
98.98472	5.5
112.61945	0.4
114.50529	0.4
137.05984	0.9
149.93280	0.5
151.07532	0.7
163.03889	0.5
163.07556	0.5
164.04205	0.5
164.54425	0.4
165.07007	0.6
166.04564	0.4
174.99258	0.6
176.06212	0.5
177.07011	2.9
178.08592	0.5
181.10117	0.6
189.07047	0.6
190.07579	0.4
191.08543	3.5
193.06522	0.4
194.07263	3.2
195.08034	0.5
202.77087	0.5
204.05702	0.5
205.06488	19.6
206.07056	1.0
207.08092	1.0
209.09706	1.8
211.07532	0.4
219.07985	1.3
220.08655	0.4
221.05998	1.0
222.06749	11.1
223.07434	0.7
226.09682	0.6
233.05968	22.5
234.06512	2.4
235.07483	0.5
237.09097	25.3
238.09441	1.3
239.06990	2.1
240.07663	0.5
247.07547	0.8
247.87187	0.4
250.06299	6.1
251.06998	1.6
252.10295	0.9
253.08600	0.6
254.09357	1.5
265.08597	100.0
266.09021	3.7
267.06519	1.5
276.85577	0.4
281.60870	0.5
282.08871	4.8
283.09552	1.0
296.12863	0.6
297.11218	74.3
298.11469	3.1
310.10880	0.4
312.12292	5.9
313.13055	5.1
328.15433	47.6
329.15677	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.1542
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91141	0.6
53.70421	0.6
58.06567	1.2
69.85912	3.7
98.21472	1.2
98.98473	3.2
102.39813	0.5
103.40582	0.6
104.43652	0.6
121.85999	0.6
128.45296	0.5
137.05931	0.9
165.06987	1.3
178.07738	2.4
179.08476	1.3
189.06990	1.5
190.07767	2.5
191.08530	9.2
192.09312	0.9
193.06468	1.3
193.10095	1.1
194.07306	1.5
202.07744	1.0
202.10278	0.6
203.08432	1.1
205.06470	3.5
206.07234	3.7
207.08044	4.2
208.08820	4.7
209.09526	0.9
218.07288	2.8
219.08028	9.6
220.08846	3.4
221.06056	2.9
221.09570	2.4
222.06755	1.8
223.07542	0.8
223.11163	2.0
231.08020	2.9
233.05972	2.3
233.09624	1.1
234.06705	1.6
235.07532	10.7
236.08315	36.5
237.09062	10.2
238.06244	5.2
238.09192	0.8
246.06850	1.3
247.07532	19.3
248.08315	32.8
249.05392	1.4
249.09021	3.5
250.06161	0.6
250.09869	0.8
251.06824	1.0
251.10658	14.6
253.08597	7.4
261.09009	1.2
262.09967	0.6
263.07025	5.0
264.07803	37.2
265.08572	38.8
266.05890	1.3
266.08820	1.4
267.10199	1.4
277.08511	0.8
279.10153	100.0
280.10864	26.5
281.08109	16.5
281.10962	1.0
282.08609	0.9
296.10419	24.5
297.11118	7.1
298.11633	0.8
311.12769	96.0
312.13098	8.3
328.15424	28.6
329.15750	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.1542
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06602	2.4
64.65250	0.5
70.71629	1.0
70.72034	0.9
73.60690	0.5
85.02849	0.5
89.00188	0.5
96.47777	0.4
98.98463	20.1
103.05458	0.6
133.06493	0.5
137.05905	1.5
158.03648	0.5
164.04204	0.7
165.06989	0.8
166.04803	0.6
174.99257	1.5
175.07535	0.5
176.98889	1.1
177.06998	0.8
191.08583	2.7
193.06454	0.8
194.07289	1.3
197.09654	0.6
205.06477	3.6
206.07138	1.2
207.08054	2.6
208.08759	1.4
209.09583	1.8
210.06735	0.9
211.07524	0.6
219.07986	2.1
220.08806	1.1
221.05942	1.7
221.09425	0.8
222.06731	2.5
223.07626	1.2
223.11208	0.7
224.08257	0.8
225.09094	3.1
233.05962	5.1
235.07542	2.4
236.08325	5.1
237.09091	26.6
238.06279	1.4
238.09413	0.8
239.06963	1.1
247.07591	3.1
248.08299	4.6
249.05484	1.7
249.09090	2.0
250.06262	1.3
251.07092	1.1
251.10629	3.4
253.08563	12.1
263.06995	2.3
264.07861	6.5
265.08588	63.1
266.06161	0.8
266.09021	2.0
267.06598	1.7
267.10141	2.9
279.10162	12.9
280.10928	75.4
281.08102	39.5
281.11234	3.7
282.08688	4.0
283.09625	1.9
296.10419	47.4
297.11142	9.1
298.11313	0.5
311.12759	100.0
312.13025	4.0
328.11935	1.0
328.15491	14.7
328.18954	0.8
329.15878	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.1539
Annotation	(-)-Boldine
Peak:m/z	Relative Intensity
55.60863	0.3
58.56575	0.4
70.84157	0.9
70.84534	1.0
73.88863	0.4
98.98438	1.4
104.89956	0.5
105.07040	0.5
106.94687	0.4
117.41263	0.4
124.16232	0.4
137.05945	0.6
151.07509	3.0
165.06973	1.7
165.09134	0.9
166.07599	0.9
166.08743	1.0
176.07001	0.4
178.92130	0.5
179.08553	1.9
181.06519	0.7
181.10033	0.5
189.06937	0.7
190.07742	1.0
191.08531	7.2
193.06497	0.6
194.07216	2.3
195.08052	0.9
202.07722	0.5
205.06424	2.1
207.08015	3.6
207.49191	0.4
208.08786	1.2
209.09625	2.7
218.07338	0.8
219.08051	4.7
220.08644	0.4
221.05956	2.2
222.06738	7.0
223.07587	1.0
225.09082	0.7
233.05917	1.9
235.07486	1.3
236.08289	1.8
237.09081	8.2
238.09662	0.5
239.06958	1.0
247.07510	1.6
250.06335	1.4
251.07103	0.9
252.10248	1.1
253.08644	2.1
255.10124	1.0
263.07010	0.5
264.07788	0.6
265.08588	27.4
266.09088	1.6
267.06546	2.8
268.13190	0.7
270.11206	0.6
279.10056	0.8
280.09665	1.3
281.10489	0.7
282.08853	11.9
284.09329	0.5
286.97467	0.4
296.12897	2.0
297.11209	39.8
298.10883	3.8
299.11450	0.7
312.12286	26.7
313.13055	22.0
313.16092	0.4
314.13367	0.6
328.15411	100.0
329.15820	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	328.1541
Annotation	(S)-Scoulerine
Peak:m/z	Relative Intensity
56.05022	1.0
57.03397	0.4
58.06595	24.2
59.04976	0.7
59.06936	0.6
71.11166	1.0
73.06552	3.9
78.10004	0.4
85.02890	0.6
86.09695	0.5
98.98455	13.0
104.48056	0.4
116.99454	0.5
149.09628	0.6
149.11742	2.1
153.07011	0.6
159.08186	0.5
162.09157	3.0
163.82675	0.4
165.07014	1.6
165.73401	0.5
167.08478	0.5
167.10626	0.5
168.05690	0.6
169.06435	0.4
174.09143	0.5
174.99197	1.0
177.06712	0.5
177.07886	1.6
181.06494	1.6
182.07210	0.6
182.85803	0.4
183.08017	1.1
187.07445	0.5
190.08630	2.4
191.09462	5.6
192.10187	19.9
193.06490	0.8
193.10493	0.9
194.07245	2.0
195.08078	1.1
196.05208	0.7
197.06021	0.9
200.08313	1.7
205.06488	8.2
206.06963	0.5
207.08052	0.9
207.84964	0.5
209.06013	1.0
209.09637	1.3
210.06685	0.6
211.07529	7.9
212.08287	2.6
213.09058	1.3
215.10693	1.1
219.07964	0.6
221.05972	0.8
222.06734	3.8
223.07425	1.8
225.09154	2.2
226.09868	1.0
227.07021	2.5
228.07837	3.3
228.09875	0.7
233.05943	4.0
234.06702	1.7
235.07536	0.8
237.09090	11.3
238.09578	0.8
239.07014	5.1
240.07637	0.8
242.09473	0.9
243.10172	7.0
250.06277	1.6
251.07030	2.7
253.08557	2.0
253.11008	0.7
254.09325	3.0
255.06480	2.9
256.07208	0.9
265.08572	10.8
266.09296	4.6
267.06586	2.6
268.13443	0.6
269.11496	0.5
270.08847	3.3
271.09641	5.3
282.08850	6.2
285.11209	6.2
297.11185	4.9
328.15405	100.0
329.15744	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	328.1179
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	0.3
53.03954	0.4
57.03820	0.2
58.06596	1.2
59.06932	0.2
63.02050	0.3
63.02365	0.4
67.05491	0.8
67.20533	0.2
69.07060	0.8
69.92506	0.2
71.04984	0.3
71.62579	0.4
76.03978	0.5
78.04723	0.4
79.05487	2.9
81.03396	0.3
81.07057	2.3
81.50684	0.2
82.07377	0.5
85.06522	0.7
89.03907	4.7
89.04410	0.4
90.04200	0.2
91.05464	2.0
93.07050	0.8
95.04954	0.6
95.08617	1.6
98.98460	25.0
99.08095	0.5
99.14727	0.3
103.05456	0.7
105.07033	1.4
106.06556	2.9
107.04947	10.3
107.08583	0.6
108.08876	0.2
109.06496	0.4
109.10145	0.8
110.10483	0.3
116.98763	0.2
116.99488	1.3
117.02602	0.5
117.03374	5.9
117.07036	0.3
121.06496	48.3
123.11678	0.3
125.06034	0.3
128.06250	0.3
131.04926	2.3
131.08618	0.4
133.06459	0.6
135.04407	17.5
135.08046	5.0
135.11633	0.5
136.05070	0.3
137.05972	0.7
138.06325	0.3
139.05518	0.3
144.05713	1.3
145.02832	11.9
145.06487	0.9
146.03151	0.4
146.07166	0.3
147.08018	0.8
148.07582	0.4
149.05965	3.8
149.13252	0.6
151.07529	5.3
158.07234	1.9
159.04440	0.6
159.08047	5.6
161.09647	0.3
163.03893	100.0
164.04218	1.7
165.04478	0.3
165.09096	1.1
166.08633	10.3
173.08250	0.3
174.05370	0.5
174.06758	4.2
174.99196	3.2
176.08289	0.4
176.98900	1.1
177.09068	0.3
180.06534	3.0
181.06480	0.3
186.05406	0.5
189.07388	0.6
189.09090	8.4
191.08324	0.3
192.10138	0.7
195.08015	0.3
205.06560	0.4
206.11728	1.3
207.08041	0.5
208.96625	0.3
209.09651	0.4
210.06747	0.4
219.07947	0.7
221.05923	1.1
221.09517	0.3
222.06877	0.5
223.07489	0.5
223.11162	0.5
225.09033	0.3
225.12766	0.5
233.05952	0.3
235.07536	1.5
235.11235	0.5
236.08231	0.6
237.09074	1.0
238.09810	0.4
239.10619	0.6
247.07529	0.4
248.08284	1.0
249.05476	3.0
249.09068	0.6
250.09602	0.4
251.06908	0.6
251.10748	2.2
252.99631	0.5
253.08574	0.7
253.12268	0.6
254.13004	0.6
263.07031	0.6
264.07846	1.2
265.08572	3.3
265.12183	0.5
266.08868	0.3
266.09979	0.4
266.13004	4.9
267.10126	1.1
268.11035	0.4
270.12372	0.7
278.09125	0.9
279.10181	1.2
280.10925	1.0
281.08118	3.2
282.09421	0.4
282.12488	2.6
283.09637	0.7
285.14792	1.2
296.10355	6.1
296.13467	0.5
297.11166	1.0
297.14798	11.5
299.16388	0.4
310.10797	0.5
311.09109	0.5
311.12747	11.4
328.15433	6.1
328.19006	49.7
329.19388	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2316
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.6
55.01862	1.9
55.05510	3.6
57.03431	0.5
57.07075	1.0
63.71893	0.5
67.05503	7.0
69.07070	4.0
70.12849	2.1
71.04987	0.6
79.05492	4.1
81.03391	1.1
81.07046	7.0
83.08601	1.3
85.06567	0.6
91.05476	8.0
93.07040	13.8
95.04961	15.4
95.08604	12.3
95.09167	1.1
97.06538	3.6
97.10197	0.7
98.98461	100.0
103.05471	0.8
105.07027	12.4
107.04944	1.9
107.08605	7.8
107.09309	0.9
109.06512	2.0
109.10156	5.0
111.08067	0.7
115.05499	1.2
116.99476	3.8
117.07008	2.8
119.08583	11.9
121.06487	4.0
121.10140	6.4
123.08098	3.1
123.11692	1.7
125.09633	1.4
128.06259	0.9
129.07008	1.6
130.07782	0.7
131.08551	5.1
133.06490	0.8
133.10124	8.8
135.08049	2.1
135.11703	1.8
135.31537	0.6
137.09636	1.2
139.11110	0.6
140.01091	1.9
141.07010	0.8
142.07764	2.4
143.08559	3.4
144.09323	1.4
145.06500	0.7
145.10100	7.1
147.04382	0.7
147.08081	0.8
147.11688	2.6
148.21613	0.6
149.09625	0.8
149.13203	0.7
153.07037	0.7
155.08539	1.5
156.09346	1.6
157.10133	6.0
158.10918	1.0
159.08064	0.9
159.11679	9.6
161.09605	3.4
161.13298	1.1
163.11148	0.7
167.08487	0.9
169.10112	2.2
170.11000	0.6
171.11662	2.8
173.09679	0.7
173.13232	2.9
174.99213	15.8
175.14801	3.4
179.08514	0.9
181.10136	0.9
183.11710	2.2
185.13235	1.7
187.11169	1.5
187.14828	3.1
189.16400	0.6
191.14500	0.7
193.10152	0.6
195.11705	0.7
197.13176	2.6
199.14844	1.9
201.12784	1.0
207.08044	1.0
209.13167	0.7
211.14861	1.7
215.14340	0.8
217.15807	0.8
221.13268	0.6
227.14328	1.0
229.15936	1.0
235.07599	1.0
235.14850	0.9
239.18002	0.8
250.06494	0.7
250.99992	2.8
253.08447	0.6
253.15953	0.7
263.07068	2.0
265.08655	0.8
281.08261	1.2
291.21078	0.7
309.07635	1.8
309.22205	1.6
327.08075	2.2
327.23199	3.2
328.08142	0.6
328.15536	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.3047
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.9
55.05305	0.8
55.05516	9.9
57.07069	5.1
58.06593	1.4
59.65264	0.7
67.05506	15.6
69.07069	23.9
70.75851	1.4
71.08613	1.7
76.76212	0.8
77.01575	0.7
79.05484	6.1
81.07057	43.4
82.07414	1.1
83.08617	10.4
85.10175	0.8
91.05489	5.3
93.07044	19.0
95.04981	1.4
95.08607	47.4
97.10170	4.4
98.98465	100.0
105.07028	17.1
105.07629	0.7
107.04969	1.1
107.07862	1.6
107.08593	27.2
109.10152	41.7
111.11716	3.1
116.99506	2.8
119.08579	20.7
121.10142	25.5
123.11705	22.3
125.13235	1.1
131.08582	3.1
133.10124	14.8
133.11075	1.1
135.11694	15.4
137.06030	0.8
137.13245	9.7
138.39880	0.7
139.07535	0.7
140.01077	1.1
145.10112	7.1
147.11685	15.5
149.13255	13.4
149.14366	1.3
151.14827	2.3
159.11688	5.2
161.13251	13.2
161.14572	0.8
163.14815	12.5
165.16405	1.5
167.51991	0.8
168.75729	0.7
173.13248	6.1
174.99223	14.2
175.14815	12.6
177.16394	9.0
187.14806	4.9
189.16383	10.5
191.17947	5.7
201.16422	4.1
203.17953	15.8
205.19492	3.3
215.17940	4.9
217.19536	10.6
219.20950	1.9
229.19534	3.3
231.21008	5.7
233.03639	0.9
243.21080	5.6
245.22632	5.0
250.99937	1.9
257.22690	6.7
271.24243	6.3
285.25751	2.4
327.07904	2.2
327.30444	77.2
328.15482	1.9
328.30963	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	327.2317
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.2
54.22077	1.0
54.58445	1.0
55.01854	1.9
55.05504	5.0
57.03435	2.4
57.07077	2.3
59.04991	1.0
62.85659	1.1
63.26424	1.1
65.03924	2.0
67.05502	13.5
69.03432	1.1
69.07072	7.7
71.05000	2.2
71.45055	1.6
78.96260	1.1
79.05484	11.0
81.07050	14.3
83.04980	1.8
83.08615	3.6
85.06536	1.6
91.05478	21.0
93.07040	39.5
95.04964	40.1
95.08596	25.6
95.69250	1.0
97.06519	11.1
98.98461	100.0
99.63976	1.2
103.00447	1.2
103.05479	1.4
105.04533	1.7
105.07024	28.0
105.07681	2.3
106.07391	1.3
107.08595	19.9
109.06516	6.5
109.10143	11.0
115.05443	3.2
116.99503	3.4
117.07019	8.5
119.08579	28.5
121.06483	7.9
121.10140	16.8
123.08077	6.9
123.11694	3.7
128.06223	3.2
129.06979	4.4
130.07793	2.6
131.08546	12.3
133.06464	1.2
133.10129	22.5
135.08052	6.0
135.11693	6.7
137.09584	3.5
140.01080	1.7
142.07793	5.2
143.08560	11.0
144.09363	3.2
145.10130	19.9
147.08054	1.9
147.11714	8.2
149.09608	1.4
152.06232	5.1
153.06956	4.5
154.07858	1.2
155.08556	2.7
156.09322	3.4
157.10124	16.6
157.21417	1.3
158.10898	2.7
159.08098	1.5
159.11691	23.7
161.09607	8.0
161.13268	3.9
167.08475	1.3
169.10133	6.9
170.10825	1.8
171.11612	6.0
173.09534	1.6
173.13222	7.9
174.99236	16.7
175.11218	2.7
175.14803	10.6
179.08597	1.8
181.10098	2.3
182.10875	2.0
183.11676	3.4
185.13269	4.7
187.11194	4.9
187.14784	6.7
189.16414	2.2
193.10097	1.6
194.10832	2.3
195.11707	2.7
197.13348	6.1
199.14880	6.6
201.16386	1.9
201.99474	1.2
205.15817	2.0
209.13239	4.0
210.13843	1.6
211.14877	3.6
213.16385	1.5
217.15877	2.7
221.13243	2.2
225.16409	2.5
227.14330	1.8
233.03491	6.1
235.14824	3.3
237.16399	1.7
239.18095	2.0
251.00017	3.2
251.04710	2.8
253.15942	1.9
281.22543	1.6
291.21008	2.4
309.22150	5.1
327.07846	20.2
327.23111	8.8
328.08386	1.8
328.15558	1.2
348.81989	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1437
Annotation	Hinokitiol glucoside
Peak:m/z	Relative Intensity
50.36631	0.4
53.03943	1.2
55.01859	1.8
55.05501	0.7
57.03434	1.5
60.16622	0.4
61.02909	0.9
63.76427	0.4
65.03927	0.5
67.05495	3.5
69.03432	3.8
71.25018	1.3
73.02908	0.9
77.01577	0.9
79.05503	3.1
81.03426	4.2
81.07047	1.8
83.04955	0.9
85.02907	5.8
91.05481	12.8
93.07038	2.2
95.04971	4.9
95.08587	1.8
97.02896	2.8
98.98464	100.0
99.04433	1.1
103.05428	0.8
105.07032	3.1
107.04955	14.1
107.08572	2.3
109.02866	2.3
109.06503	1.8
109.10155	3.8
111.04478	0.5
115.05480	1.3
116.99512	3.5
117.07043	2.7
119.04944	1.0
119.08586	14.7
120.04449	1.1
121.06502	1.7
121.10143	0.9
122.07265	0.7
123.04421	1.9
123.08064	1.7
127.03898	4.2
128.06213	0.5
129.07054	0.8
131.08548	0.7
135.08051	24.8
137.05991	1.6
137.08652	0.7
137.09625	8.4
140.01102	0.6
147.08043	38.9
149.05916	0.6
149.09636	1.5
151.07443	0.5
159.08049	2.1
161.09604	1.8
163.03917	0.8
165.05571	0.6
165.09113	22.1
166.04962	1.5
166.32661	0.6
171.08127	0.6
173.09695	0.7
174.99223	14.1
177.09187	0.9
179.10677	0.5
183.10222	1.3
189.09142	1.6
197.09605	0.5
207.10205	1.1
236.56107	0.5
243.10231	0.9
251.00026	3.0
261.11237	0.7
309.13242	0.7
327.14444	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1226
Annotation	Teysmannic acid
Peak:m/z	Relative Intensity
57.17259	0.4
65.03953	0.5
67.05498	1.0
69.03442	0.6
69.07042	0.5
70.04544	2.0
71.39104	0.4
77.01595	0.4
79.05490	0.5
81.03380	0.4
81.07032	0.9
87.04446	1.0
91.05473	0.8
95.04984	0.5
95.08611	2.2
98.98463	100.0
102.38521	0.4
103.05462	11.0
105.07019	1.5
107.04942	4.0
107.08606	0.4
109.06542	0.4
111.04425	0.5
116.99496	4.2
119.04993	0.5
121.02863	17.3
129.06973	0.9
131.04922	23.2
133.06503	1.5
133.10069	0.4
137.04994	0.7
137.05972	9.0
140.01073	1.7
145.06554	0.5
147.04414	1.3
155.04948	0.4
157.06483	0.9
161.05963	0.5
163.03912	0.5
163.07538	8.2
165.05634	0.4
165.07048	0.5
172.05312	0.4
174.06738	1.4
174.97678	0.8
174.99222	16.6
175.07573	0.5
177.09125	0.4
181.06532	0.9
187.07558	3.5
189.09148	1.3
191.07018	1.0
197.05959	4.5
198.06784	0.6
203.08604	0.8
207.08144	0.8
210.06764	2.0
211.07701	0.5
213.09108	0.8
215.07086	1.4
216.01999	0.8
221.09460	0.6
224.08057	0.4
225.05428	1.9
225.09140	0.7
226.06239	1.0
229.81937	0.4
231.08072	1.6
233.08060	3.7
234.06781	0.5
238.06255	1.3
239.02295	0.4
239.10535	0.5
240.07799	12.7
240.10188	0.7
241.08589	5.7
247.07433	0.4
248.08237	0.8
249.09116	1.6
250.09906	0.9
250.97557	0.8
251.00050	2.9
253.08614	7.2
253.12170	0.6
263.10709	1.0
265.08630	0.6
267.10254	0.9
281.11697	7.5
291.10114	2.8
307.47092	0.4
309.11163	13.5
309.14719	0.8
327.00897	0.5
327.08353	0.8
327.12247	8.0
327.15961	0.8
327.25214	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.0478
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46812	1.7
56.96566	9.1
57.03436	17.8
61.02932	10.6
67.01868	1.8
69.03428	12.3
70.06596	4.2
70.42161	9.4
71.04970	5.7
73.02921	30.1
74.03265	2.2
81.03411	5.0
83.84755	2.1
84.95998	2.3
85.02900	28.4
87.04475	2.9
89.09998	1.8
91.04974	2.0
91.05479	13.7
92.05799	3.4
97.02905	18.0
98.03246	2.3
98.97590	17.8
98.98460	50.1
99.04454	2.9
107.04953	5.3
109.02888	4.2
110.01284	3.2
110.97576	3.6
112.99117	4.7
115.03899	4.8
116.98635	11.3
116.99361	2.3
119.01872	8.9
119.04935	7.2
119.06021	4.6
121.06537	13.0
122.06855	3.7
127.03909	6.9
128.02315	3.9
128.98610	6.0
131.00174	11.8
133.03418	2.6
134.99573	4.4
137.02823	2.8
137.05951	9.9
143.00183	3.6
145.04971	6.7
146.99648	6.3
147.05536	2.3
149.01234	7.5
151.07515	4.4
158.99687	3.3
164.07089	4.0
165.00755	2.5
165.06583	4.6
169.04367	3.7
170.04134	3.3
170.05614	1.9
172.05206	2.7
174.99263	9.5
176.03421	3.4
177.00697	3.7
177.04219	3.4
178.04976	9.4
179.04630	4.7
179.54813	5.7
189.00706	5.7
193.01761	2.4
197.03038	2.0
201.00697	4.4
213.03377	1.9
219.01772	6.1
222.05305	2.2
230.09019	2.2
236.06271	5.8
236.56374	16.1
237.02769	11.3
237.06531	5.4
244.06062	2.2
250.06451	2.6
259.07199	4.5
260.57532	2.8
261.08084	2.7
318.09192	2.6
326.59634	6.3
327.04770	100.0
327.13150	3.0
337.07901	2.6
339.07684	3.4
340.07892	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	326.2326
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.2
55.01863	1.4
55.05259	0.9
55.05508	11.7
56.05028	1.0
56.96567	0.9
57.03423	0.8
57.07061	1.1
61.87467	0.6
65.03912	0.7
67.05504	7.5
68.05017	2.4
68.05361	0.6
69.03416	1.1
69.07065	5.3
71.04977	5.1
71.08627	0.6
71.59700	0.8
79.05493	7.2
80.05009	1.1
81.03408	0.8
81.05745	0.7
81.07059	7.4
82.06574	4.3
83.04966	1.9
83.08616	4.0
85.02895	1.0
85.06557	1.0
91.05458	2.8
93.07036	6.8
94.06572	1.1
95.04945	0.9
95.07345	0.6
95.08595	3.4
96.08122	1.6
97.02830	0.6
97.10164	7.5
98.98460	100.0
105.07014	3.6
107.04924	1.1
107.08589	6.3
108.04482	1.0
109.06516	1.3
109.10142	5.6
110.06107	0.9
112.11230	0.7
114.12765	0.7
116.99496	6.1
119.08624	0.6
121.10142	5.9
122.09664	1.1
123.08109	0.7
123.11653	1.0
124.11226	4.8
125.09625	5.8
125.84457	0.7
131.08560	2.2
133.10130	5.1
135.04404	1.2
135.08125	0.8
136.04713	0.7
136.11226	0.9
138.12796	3.9
139.11205	4.5
140.01054	1.9
146.03128	0.9
149.09604	2.5
151.11232	3.4
152.82413	0.6
163.03893	5.2
164.04250	5.5
166.12328	0.8
169.12195	1.1
174.99220	15.9
185.11691	3.0
189.11183	1.4
213.04408	0.8
216.01898	0.7
228.97984	0.8
239.02235	1.7
250.99963	4.1
262.21738	1.8
280.22665	0.9
290.21136	8.3
291.19354	0.8
308.22397	2.0
325.76169	0.7
326.09921	0.9
326.13773	0.7
326.22906	0.6
326.26584	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.0572
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57534	0.4
54.72314	0.4
55.49034	0.5
56.96564	0.4
68.81386	0.4
69.89276	2.8
72.92426	0.4
82.99914	0.5
98.97601	1.1
98.98463	26.6
101.00901	0.5
101.82754	0.4
107.18961	0.4
115.54774	0.4
116.98614	2.0
116.99477	1.4
119.01900	4.9
120.01935	0.5
134.99666	1.8
137.02892	2.1
153.00752	0.5
158.99954	0.5
174.99196	5.3
177.00946	10.8
178.01051	3.5
179.00685	1.2
182.99797	0.6
193.04173	0.5
201.00826	0.8
201.07173	0.5
202.07278	0.9
216.98795	0.6
217.04099	1.7
217.99106	0.6
218.03719	1.3
219.02005	21.9
219.03777	1.0
220.02065	5.9
221.01802	2.7
225.00848	2.8
226.01250	0.6
232.96605	0.5
234.99876	1.3
236.00058	4.9
236.99762	2.2
242.03645	0.8
243.01976	6.6
244.02007	1.1
251.00081	1.0
252.73689	0.5
254.01091	2.0
255.00877	1.4
258.06653	0.6
258.99966	2.2
260.00116	10.7
260.04642	1.1
261.03049	100.0
262.03174	22.3
262.40704	0.5
263.03000	2.9
265.99182	1.6
266.03604	0.5
277.00949	3.7
278.01184	13.6
279.00751	5.3
280.01474	0.7
282.99927	3.1
284.00085	21.3
284.04697	6.3
284.99814	8.9
285.04684	2.3
286.04538	0.5
292.99829	0.6
301.01001	6.7
302.01163	51.7
303.00851	20.8
303.05069	4.4
304.05295	1.3
319.02322	0.5
320.02304	4.6
321.01883	1.8
325.02869	2.4
326.01505	2.7
326.06741	0.9
327.00961	1.3
344.02225	19.3
345.01947	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	326.2325
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.5
53.13086	1.9
55.01862	7.2
55.05262	3.5
55.05512	57.0
56.05033	11.2
56.96548	3.3
57.03424	7.3
59.04987	8.2
66.03476	3.0
67.05507	26.0
68.05022	8.1
69.03420	5.9
69.07060	11.6
70.06559	3.5
71.04983	2.3
71.08624	13.0
71.21963	3.2
71.22279	2.1
79.05505	23.0
80.05008	4.7
81.02979	3.1
81.03421	33.3
81.07053	28.0
82.06584	4.2
83.04975	9.2
83.08618	38.9
84.04507	12.8
89.09100	2.2
91.05474	24.4
93.07058	19.5
94.02927	3.4
94.06570	5.1
95.04973	19.4
95.08604	14.3
95.25364	1.9
96.04491	2.4
96.08087	4.2
97.06530	3.0
97.10171	29.8
98.98466	74.9
105.07021	18.7
106.06536	6.4
107.04971	3.0
107.08598	24.2
108.08139	3.6
108.09351	3.7
109.06503	3.2
109.10161	6.7
111.08095	6.4
115.05470	2.7
116.10701	4.2
117.07015	6.4
118.06554	7.7
119.08585	10.5
120.08124	5.8
121.10145	5.5
122.06046	6.4
122.73587	2.2
123.08088	2.2
125.09607	15.3
126.12776	2.5
129.06953	9.8
131.08554	8.1
132.08101	16.0
133.10092	7.6
134.09613	11.6
135.08023	2.3
136.07564	3.3
137.09596	2.5
140.10728	4.5
142.07742	3.6
145.08882	2.2
145.10016	2.0
146.09636	6.9
147.04346	3.6
147.08052	2.3
147.11700	15.6
148.11131	3.3
149.09625	2.7
154.12274	22.6
157.10133	12.1
163.03935	2.1
170.11761	2.8
173.11687	2.5
174.12794	23.4
174.99243	12.9
175.11197	6.6
184.11252	2.4
189.11250	2.3
192.13777	12.3
193.12236	34.8
202.12396	2.2
211.13289	37.4
215.75743	1.9
220.13313	13.7
238.14374	100.0
239.02267	7.7
239.14693	5.0
253.05888	2.1
257.03329	9.9
262.03806	4.3
262.88602	1.9
280.04846	2.7
280.22778	2.7
287.52463	2.7
290.21146	2.2
293.21109	7.9
308.22150	12.1
326.23270	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	325.0916
Annotation	Skimmin
Peak:m/z	Relative Intensity
53.03934	0.2
55.05503	0.4
57.07059	0.4
58.58793	0.2
61.02912	0.4
62.06091	1.3
63.02344	0.3
67.05484	0.6
69.03425	1.8
69.07056	0.2
70.04842	1.1
76.72012	0.2
79.05488	1.2
81.03418	1.1
81.07045	0.5
85.02920	1.1
86.07134	0.2
89.03914	5.1
93.07030	0.3
95.08606	0.7
97.02877	0.9
97.06511	0.2
98.21464	0.3
99.04454	0.3
107.04935	1.9
107.08593	0.3
109.02884	0.5
109.10121	0.3
117.03378	6.1
121.02875	0.5
127.03912	0.9
135.04410	18.3
136.04768	0.4
145.02838	11.9
146.03157	0.3
147.04460	0.3
158.05998	0.3
163.03897	100.0
164.04240	2.4
165.12726	0.2
181.04984	1.0
186.05495	0.8
193.04977	0.6
193.06744	0.2
209.11708	1.0
231.02806	0.3
237.11238	1.3
269.13892	0.3
279.06473	0.3
307.08453	0.2
307.22742	0.5
325.09308	3.8
325.26080	0.8
325.29361	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0916
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38188	0.2
53.03930	0.3
57.03422	0.3
63.02366	0.3
69.03426	1.1
69.67749	0.2
70.07006	1.0
73.02869	0.3
79.05487	1.2
81.03418	1.0
81.07047	0.3
85.02885	0.7
85.92318	0.2
89.03915	5.7
89.57809	0.2
95.04964	0.3
97.02885	0.7
99.04400	0.3
100.55434	0.2
107.04950	2.0
109.02879	0.4
117.02512	0.2
117.03374	7.7
127.03902	0.7
135.04411	18.0
136.04720	0.2
137.05862	0.2
142.01123	0.2
145.02844	11.2
146.03224	0.4
163.03900	100.0
164.04240	2.6
181.04973	0.5
186.05548	0.3
236.18228	0.2
256.62656	0.2
307.08118	0.7
325.09161	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0915
Annotation	Skimmin
Peak:m/z	Relative Intensity
53.03933	0.7
55.05502	0.4
56.96557	1.3
57.03415	0.9
57.07079	0.4
58.06579	0.5
62.08413	0.3
63.02363	0.4
67.05482	0.5
69.03426	3.4
70.89793	0.4
70.90127	0.8
79.05467	1.2
81.03408	1.8
81.07053	0.9
85.02899	2.1
89.03903	4.4
91.05464	1.1
93.07060	0.8
95.04956	0.7
95.08585	0.8
97.02883	8.3
101.02354	0.4
103.05445	0.4
105.07005	1.5
107.04942	1.8
107.05533	0.3
107.08602	0.6
107.63706	0.3
109.02892	0.6
109.10143	0.5
117.03382	5.9
119.08559	0.6
121.06489	0.3
123.11691	0.8
127.03896	1.2
131.08569	0.5
135.04402	16.8
145.02834	11.3
147.04413	1.5
163.03889	100.0
164.04225	2.6
181.04988	2.5
186.05504	0.9
213.04396	0.7
228.40862	0.4
234.10129	0.5
239.02330	2.1
257.03247	2.7
257.05493	0.3
262.03827	1.0
265.06970	0.3
279.06219	0.5
280.04764	0.7
283.06100	0.5
307.08163	2.2
325.09219	6.6
325.21979	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0918
Annotation	Skimmin
Peak:m/z	Relative Intensity
53.03933	0.4
55.05495	0.3
55.46311	0.2
56.96553	0.9
57.03426	0.6
57.07065	0.6
63.02362	0.2
67.05502	1.3
69.03434	2.7
69.07053	0.4
71.01322	0.2
71.04977	0.4
71.08621	0.2
76.54933	0.2
79.05495	1.6
81.03421	1.0
81.07054	1.4
83.01366	0.2
83.08601	0.2
85.02907	1.4
89.03915	5.1
91.05469	1.0
93.07038	1.0
95.04960	0.5
95.08591	1.4
97.02889	3.9
97.06505	0.3
99.04478	0.4
105.07024	0.6
107.04971	1.9
107.08581	0.6
109.02854	0.5
109.10148	1.0
117.03381	6.7
119.04948	0.8
121.02895	0.4
121.10131	0.6
122.03722	0.2
123.11740	0.3
123.14178	0.2
127.03932	1.1
131.04909	0.3
133.10103	0.2
135.04417	17.8
135.11687	0.3
136.04868	0.2
137.05951	1.1
137.09608	0.3
145.02847	10.6
146.03105	0.3
147.04424	2.2
149.02367	0.6
163.03906	100.0
164.04228	2.1
181.04976	1.6
186.05542	0.7
193.05025	1.6
213.04298	0.8
224.65656	0.6
228.23392	0.4
230.94043	0.3
231.10611	0.2
239.02231	1.1
257.03348	1.0
262.03842	0.4
265.07172	0.2
283.05978	0.3
293.20950	0.3
293.87860	0.2
307.08185	1.0
325.09216	5.1
325.26349	3.1
325.76312	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0916
Annotation	Skimmin
Peak:m/z	Relative Intensity
53.03938	0.4
57.03425	1.3
61.07383	0.2
63.02362	0.4
68.05665	0.2
69.03431	3.4
69.72601	0.2
71.01366	0.3
71.32665	0.6
79.05478	0.7
81.03423	1.4
83.65886	0.3
85.02909	2.2
89.03915	5.2
97.02895	9.4
99.04442	0.5
101.02381	0.3
107.04967	1.6
109.02876	0.7
117.03376	6.9
127.03886	1.0
135.04414	16.2
136.04733	0.4
145.02843	10.4
145.03990	0.6
154.25041	0.3
163.03900	100.0
164.04233	3.1
167.20023	0.3
172.82639	0.3
180.20479	0.3
181.04927	2.4
186.05574	0.3
307.08206	1.8
309.78281	0.3
325.09189	6.1
326.09521	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0916
Annotation	Skimmin
Peak:m/z	Relative Intensity
53.03943	0.6
53.27949	0.2
57.03426	1.0
61.24704	0.3
63.02382	0.2
69.03424	3.1
69.28228	2.6
69.28619	0.7
71.01337	0.5
71.04983	0.5
79.05482	0.9
81.03412	1.2
85.02911	1.9
89.03400	0.4
89.03915	4.1
89.04414	0.5
92.27268	0.2
97.02895	7.1
99.04459	0.5
107.04962	1.7
109.02924	0.4
117.03384	6.1
127.03919	1.1
135.04417	14.1
136.04793	0.3
145.02844	11.5
145.03987	0.6
163.03906	100.0
163.76607	0.2
164.04230	2.8
181.04916	2.2
265.06958	0.3
302.65491	0.2
307.08151	1.2
310.40369	0.3
325.09183	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	325.0917
Annotation	Skimmin
Peak:m/z	Relative Intensity
51.02386	0.2
53.03930	0.5
55.01868	0.2
55.05486	0.2
57.03435	1.0
63.02365	0.3
67.05503	0.3
67.53735	0.1
69.03072	0.3
69.03426	3.8
69.07050	0.4
71.01334	0.3
71.05002	0.3
71.55151	0.3
79.05492	0.9
81.03407	1.5
81.07041	0.8
81.23769	0.2
83.04968	0.2
83.08607	0.2
85.02895	2.1
89.03906	5.1
91.05453	0.5
93.07053	0.3
95.04987	0.3
95.08588	0.5
97.02885	8.4
98.03214	0.2
99.04446	0.6
101.02356	0.4
105.28029	0.2
107.04948	2.0
107.08541	0.3
109.02879	0.5
109.10145	0.2
115.03869	0.2
117.03375	7.0
121.10112	0.3
127.03936	1.0
133.10196	0.2
135.04407	17.6
135.11613	0.3
136.04770	0.5
137.05963	0.2
145.02838	11.5
146.03209	0.3
147.04436	0.2
158.05988	0.2
161.09674	0.2
163.03893	100.0
163.61444	0.2
164.04266	2.2
181.04974	2.0
186.05464	0.5
200.48157	0.2
264.82550	0.2
286.48645	0.2
307.08081	1.8
325.09122	5.6
325.19803	0.4
326.09299	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0917
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58969	0.2
53.03936	0.3
59.28906	0.3
69.03439	1.8
70.04124	1.6
74.84860	0.3
79.05482	1.0
81.03406	0.6
85.02877	1.0
89.03925	4.8
97.02877	1.1
99.04456	0.5
107.04971	2.1
109.02879	0.4
117.03384	7.0
127.03901	0.8
135.04417	16.8
137.05989	0.8
145.02849	12.2
147.08002	0.5
155.65202	0.3
163.03905	100.0
164.04221	1.6
175.07562	1.1
181.04997	1.3
191.54509	0.3
265.06924	0.3
325.09140	3.3
325.14307	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	325.0916
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.5
57.03429	0.7
69.03426	3.4
69.31881	2.5
69.32313	1.0
71.01328	0.3
71.04982	0.5
79.05488	0.3
81.03391	0.9
85.02897	2.4
89.03913	4.3
90.29620	0.4
97.02884	8.6
98.20704	0.7
99.04449	0.6
107.04968	1.8
109.02866	0.5
117.03376	5.5
127.03884	1.2
135.04411	13.1
137.05983	0.6
145.02835	9.3
163.03896	100.0
164.04240	2.3
175.07576	0.8
181.04968	2.6
189.09258	0.3
228.43170	0.3
289.00012	0.3
307.08093	2.6
325.09198	7.3
325.14120	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0915
Annotation	Skimmin
Peak:m/z	Relative Intensity
51.02375	0.3
53.03929	0.4
55.05502	0.6
57.03418	0.8
61.02905	0.3
62.18548	0.3
62.73713	0.4
63.02375	0.5
67.05489	0.7
69.03426	3.4
69.07057	0.7
71.04970	0.4
71.06146	0.7
79.05474	1.1
81.03411	1.5
81.07056	1.7
85.02897	1.8
89.03920	4.2
93.07040	0.4
94.62779	0.4
95.08603	1.6
97.02885	6.8
99.04444	1.0
101.02378	0.6
104.01263	0.3
105.07023	0.5
107.04953	1.8
107.08567	0.7
109.02827	0.5
109.10139	0.8
117.03369	7.7
121.10107	0.6
127.03885	0.5
133.10158	0.7
135.04414	17.1
145.02849	12.1
145.03912	0.6
147.11703	0.6
149.13181	0.4
163.03896	100.0
164.04221	1.9
175.07503	0.4
177.16341	0.4
181.04924	1.2
289.25388	0.8
307.08118	1.8
307.26175	0.5
325.09131	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.2532
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.7
55.05511	25.6
56.05027	4.3
57.03428	2.2
57.07073	3.1
62.06096	4.1
65.03929	3.5
67.05503	43.6
69.07072	18.7
70.06572	2.2
71.08623	5.0
71.12411	4.5
79.05492	23.3
80.05019	5.0
81.07056	39.0
82.06596	4.2
83.04990	2.3
83.08616	23.8
85.06541	3.4
91.05492	17.7
92.05024	10.3
93.05798	4.0
93.07043	24.1
94.06577	9.4
95.04944	3.7
95.08590	16.0
97.06567	2.5
97.10172	5.6
99.29250	1.9
105.07019	8.8
106.06558	14.2
107.04948	2.1
107.07371	2.7
107.08589	15.4
108.08121	4.4
109.10149	9.0
110.15676	1.6
111.08090	3.7
117.07014	19.8
118.06550	8.3
119.08601	4.8
120.08127	16.9
121.02873	2.2
121.08868	2.4
121.10142	2.8
129.07001	2.8
131.08542	11.1
132.08080	3.3
133.10139	6.7
134.09668	8.1
135.04414	3.2
135.11726	7.6
137.06058	1.8
140.98180	1.9
144.08121	4.0
145.10118	2.7
148.11205	2.8
149.13268	2.3
150.12784	55.1
157.10083	2.0
158.09686	4.0
159.11682	10.9
163.03918	12.9
169.10161	4.8
176.14363	19.3
186.12737	12.8
197.65312	1.8
204.13834	44.4
222.14896	65.6
236.16475	2.9
246.22055	2.0
274.21683	6.3
283.06308	2.7
306.24280	100.0
307.06064	2.3
307.24600	5.1
308.87592	1.8
324.25247	6.6
325.27444	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	324.2531
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	1.1
53.03945	4.4
53.85374	1.4
55.01866	1.6
55.05511	12.7
56.64169	1.2
57.03430	1.3
57.07073	3.0
59.05038	1.6
63.66644	1.2
65.03934	5.2
67.05503	71.7
68.65799	1.2
69.07071	17.3
69.30312	6.9
69.30738	7.5
71.04984	1.4
73.06580	1.4
79.05491	30.7
80.05005	2.6
81.07055	73.2
82.06604	2.1
82.07392	1.7
83.05000	3.2
83.08624	7.6
85.06537	7.7
91.05473	17.9
92.05003	3.8
93.07041	42.0
94.06582	4.2
94.07349	1.9
94.76022	1.1
95.04958	3.9
95.08605	21.7
97.10148	2.1
105.07018	9.7
106.06568	2.7
107.08588	19.3
107.09289	1.7
108.08136	1.5
108.08862	1.6
109.06522	2.7
109.10162	5.1
111.08064	1.5
115.05447	1.3
117.07003	10.0
118.06538	1.4
119.08588	3.3
120.08113	4.8
121.02877	1.5
121.10152	5.6
131.08536	9.2
133.10132	6.7
134.09691	3.4
135.04362	1.4
135.08081	2.9
135.11703	14.7
137.05968	1.6
141.20731	1.4
145.02939	1.6
148.11186	1.7
149.09644	1.6
149.13242	11.1
150.12755	6.9
157.10164	1.4
159.11707	13.2
163.03915	7.2
176.14355	4.7
177.12790	3.8
179.82896	1.4
181.06456	1.5
208.17010	4.1
222.14902	31.8
223.15286	1.5
306.24271	100.0
307.24637	4.6
320.63455	1.3
325.27396	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	324.2531
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00679	1.0
53.03946	6.5
53.81794	0.9
55.01871	2.1
55.05302	1.2
55.05510	13.9
56.05035	1.4
57.07064	2.3
59.04981	1.8
65.03938	5.1
67.05505	82.3
68.70442	0.9
69.03390	1.1
69.06779	1.2
69.07075	13.3
69.42667	1.0
70.06557	1.2
70.42404	1.4
71.04985	1.8
71.60574	1.3
73.06554	1.1
74.00812	1.0
79.05492	38.5
80.05011	2.7
81.03413	1.5
81.07058	72.9
82.06570	2.5
83.08626	6.6
85.06548	8.1
91.05481	20.9
92.05009	3.4
93.05772	1.8
93.07041	54.6
94.06571	5.8
95.04978	5.3
95.08599	23.1
97.06522	3.5
97.10147	1.1
99.08069	2.0
105.07027	9.2
106.06544	4.5
106.07276	1.0
107.04937	1.1
107.08595	19.7
108.08109	4.1
109.06516	3.0
109.10151	4.8
111.08068	1.4
115.05405	1.3
117.07034	9.0
119.08589	3.4
120.08121	5.2
121.06487	1.7
121.10133	5.0
122.09706	1.2
129.07018	1.6
131.08563	10.8
133.10126	6.5
134.09637	3.3
135.04382	1.3
135.08076	1.2
135.11691	17.6
137.05989	3.1
147.11652	1.8
148.11137	1.7
149.13246	14.8
150.12756	6.5
159.11717	12.2
163.03889	9.4
176.14365	5.5
176.30762	1.1
177.12756	4.6
204.13799	2.0
208.16901	4.3
222.14865	27.7
249.12556	1.4
293.31049	1.2
306.24277	100.0
307.24619	3.4
316.72775	1.0
325.27490	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	324.2171
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56507	1.7
53.03957	2.8
53.79276	1.7
54.34823	1.7
55.01868	5.7
55.05265	2.3
55.05513	40.5
56.78220	1.8
65.28945	1.8
67.05504	16.1
68.05009	2.8
69.03440	8.7
69.06722	2.8
69.07074	36.8
70.76861	4.0
70.77246	3.4
71.04986	2.9
76.11934	1.6
79.05500	15.8
79.55280	1.8
80.04987	3.5
81.03428	2.7
81.07071	18.0
82.06579	2.4
83.04983	4.9
83.08614	20.0
84.04498	4.9
85.02910	3.1
85.06484	1.8
89.03925	5.3
91.05477	8.7
93.07040	6.9
94.02930	3.2
95.04993	3.7
95.08633	8.9
96.04479	5.2
97.02908	2.5
97.10175	32.8
104.05019	2.7
105.07047	3.3
107.04977	5.2
107.08601	10.6
107.27297	2.3
109.10139	2.4
117.03410	6.8
119.04974	1.8
119.08575	6.3
121.02905	3.2
121.10161	1.7
125.09637	30.5
131.08607	2.7
135.04416	15.2
135.08073	2.2
136.11217	2.1
137.05988	24.1
137.09616	4.8
137.77011	2.1
142.12299	1.9
143.10678	4.8
145.02870	8.5
147.04446	8.4
147.08051	2.2
149.38947	1.6
156.62726	1.7
163.03926	100.0
164.10713	3.6
167.47452	1.7
167.80115	1.9
226.14394	4.0
254.83086	1.9
306.20682	9.2
306.24158	3.3
311.43860	1.7
324.21643	5.1
325.09143	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	324.1593
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04505	2.3
67.05495	1.0
69.03423	2.0
69.79674	4.4
79.05491	1.1
81.07051	0.8
86.06087	1.5
86.28716	0.6
89.03905	1.6
95.04893	0.7
97.02878	3.1
105.07020	1.8
107.04978	0.9
107.08538	1.1
107.11209	0.6
109.10114	0.7
117.03360	2.1
121.02898	0.9
123.11711	1.0
134.37856	0.7
135.04417	6.0
135.08063	1.1
145.02840	3.9
147.04442	0.8
163.03906	41.2
178.07773	1.1
179.08525	1.8
181.04948	0.8
189.07028	1.1
190.07710	3.7
191.08546	2.9
202.07806	5.2
203.08565	4.5
205.06487	0.9
205.10146	2.2
207.08090	3.8
208.08638	0.7
217.06468	1.2
217.08769	0.7
218.07285	34.2
218.09540	2.8
219.08051	8.4
220.08574	1.2
221.06017	1.9
221.09608	8.1
222.10266	1.0
224.36047	0.7
228.65443	0.7
232.08730	1.0
233.09608	100.0
234.10284	19.0
235.07535	16.1
235.09769	1.3
236.08174	2.9
249.09006	1.0
250.09863	19.8
250.12286	29.9
251.10168	1.1
251.12560	2.0
265.12241	29.9
265.15128	1.4
266.12604	2.4
292.13281	5.6
324.16019	6.6
325.09229	2.4
325.16425	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.217
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.4
55.01622	1.9
55.01870	26.1
55.05511	15.0
56.05017	2.4
57.03435	1.4
57.07077	5.7
58.22182	0.9
59.04998	1.1
65.03927	1.3
66.03455	5.9
67.05505	19.5
68.05018	2.4
69.03416	2.0
69.07058	7.3
70.02950	4.2
70.06572	1.3
71.01350	10.9
71.04962	1.4
71.08637	6.1
71.62502	1.1
72.66233	1.0
77.81158	1.0
77.85712	1.0
79.05491	15.2
80.05003	3.1
81.03399	4.4
81.07063	11.3
82.06564	2.0
83.04971	2.1
83.08609	4.2
84.04493	3.7
85.02941	1.3
91.05479	16.1
93.07040	13.7
94.06569	3.2
95.04970	5.2
95.08600	15.2
96.04472	4.1
96.08120	2.0
97.02878	9.3
97.06496	1.8
97.10151	3.8
98.02411	21.6
98.06018	2.0
98.09694	6.1
105.07020	7.0
107.04929	8.5
107.08578	8.1
108.04451	5.2
109.02863	1.3
109.05204	1.3
109.06518	1.5
109.10151	10.8
110.10491	2.1
111.04453	2.3
112.03961	18.4
114.05554	2.3
117.03364	1.9
117.07005	4.1
119.08564	14.2
121.02841	1.6
121.10139	4.7
122.06034	3.9
123.08076	5.6
125.09627	3.9
126.05504	2.1
126.09180	1.3
129.06966	2.5
131.08543	4.2
133.06470	1.2
133.10176	1.3
134.05988	2.1
135.04366	6.2
135.07095	1.1
135.08037	3.3
135.11681	3.1
136.07556	1.2
137.06013	2.1
137.09624	6.5
140.10686	2.5
142.12271	1.4
145.02809	3.4
145.06448	2.1
145.10068	6.6
147.08022	3.2
148.11185	1.2
150.09100	1.3
150.12764	1.3
152.10696	2.6
152.14278	1.3
153.09119	1.1
153.12694	1.1
154.12265	8.9
155.08554	1.5
163.03897	26.7
163.11169	8.8
165.09193	1.6
166.12263	3.3
168.10197	100.0
169.10535	3.5
170.11771	3.5
172.11234	1.7
173.09674	5.7
173.11711	3.2
178.12199	2.4
180.10197	2.4
182.11830	1.8
190.12241	3.3
191.10649	3.2
200.10690	3.2
201.09100	1.2
204.13869	1.3
208.13297	6.8
209.11722	3.5
210.11238	2.1
218.11711	2.0
233.05806	1.2
236.12837	7.8
260.20016	2.3
270.18491	2.1
278.21118	2.6
288.19568	10.5
306.20651	27.3
307.21158	2.7
324.21698	16.2
324.25320	0.9
325.09436	1.6
325.21783	1.6
325.25824	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.1229
Annotation	Unknow
Peak:m/z	Relative Intensity
63.70457	0.4
67.05506	1.8
69.07048	0.9
71.04981	0.6
71.18764	0.5
71.19083	0.6
72.04507	2.6
79.05476	0.7
81.03409	0.5
81.07036	1.4
83.08592	0.4
85.06558	0.4
91.05460	0.5
93.07027	0.6
95.04959	0.4
95.08603	0.6
107.08571	0.7
112.07540	0.4
121.10080	0.4
135.04411	1.2
141.41127	0.4
145.02811	0.5
163.03894	6.6
165.06941	0.5
178.07751	4.8
180.09273	0.4
189.06946	1.7
190.07764	2.1
191.08519	1.0
192.09306	0.8
194.07307	0.5
202.07828	1.0
203.08572	1.0
205.06465	1.5
206.07248	6.6
207.07887	0.7
208.08777	2.5
209.09639	0.5
217.06441	0.8
218.07253	4.6
219.08086	1.2
220.08771	0.9
221.09602	29.9
222.09955	0.8
223.11142	2.2
233.06087	0.6
233.09953	2.0
234.06775	6.3
234.09081	1.0
235.07474	1.3
235.09892	1.8
236.08293	2.6
237.09132	1.6
238.12294	0.5
246.06828	0.7
247.07655	0.6
248.08318	1.0
248.10692	0.8
249.09100	27.2
249.11336	1.5
250.09512	1.0
251.07120	0.6
251.10687	0.8
261.09128	1.1
263.07007	0.7
264.07840	1.9
266.11740	4.9
276.10187	3.5
277.08536	0.4
279.10147	100.0
280.10480	3.9
288.19504	0.5
294.11246	3.1
306.20581	2.2
307.09595	1.2
310.04245	0.4
324.12335	7.5
324.21573	1.3
325.01633	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.258
Annotation	8-HETrE
Peak:m/z	Relative Intensity
53.03950	2.6
55.05511	16.9
57.07072	5.9
66.40114	2.4
67.05502	36.4
69.07066	38.7
69.52541	3.9
69.52942	19.6
78.35584	3.1
79.05483	18.5
81.06586	5.4
81.07055	100.0
83.08619	12.3
85.06546	21.7
91.05479	9.7
93.07034	37.6
95.04954	7.7
95.08604	95.5
95.12502	2.7
97.06526	3.3
97.10149	10.9
99.08076	9.8
101.65749	2.9
101.72061	2.6
102.10289	2.4
105.07005	16.0
107.08596	45.4
109.06505	4.8
109.10152	81.8
111.08070	3.6
111.11691	4.6
119.08568	19.1
121.10129	31.4
123.08150	3.3
123.11710	29.4
125.09589	5.0
125.13271	2.8
127.07510	3.1
127.11198	25.7
133.10095	12.8
135.11685	27.9
137.05969	5.3
137.09645	3.5
137.13242	14.7
139.11171	4.4
147.11644	12.7
149.13242	35.5
151.11081	3.0
151.14815	3.7
157.10062	2.7
159.11655	3.4
161.05937	4.9
161.13249	10.8
163.11150	3.3
163.14836	17.8
163.16028	3.2
175.14827	6.5
177.16379	13.2
181.12285	4.1
187.14816	3.7
189.16368	8.5
195.17491	2.9
203.08604	2.9
203.17899	4.7
205.19525	4.5
213.16386	3.1
223.16777	4.0
231.08099	5.5
231.17491	3.7
231.21524	3.2
245.22571	3.0
248.08514	2.9
259.07452	4.3
259.24081	12.7
266.52136	2.6
269.22723	6.0
272.00906	2.5
277.25235	35.8
287.23682	25.6
288.23846	2.9
291.10114	8.3
305.24796	43.7
323.12759	7.2
323.25916	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	323.2216
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	4.9
55.05504	5.7
57.03439	23.8
65.03945	2.7
67.05505	30.4
69.03428	2.2
69.07062	5.1
69.50633	15.6
71.04967	1.9
79.05493	10.0
81.07063	16.0
83.04958	4.1
83.08599	2.1
85.06068	2.3
85.06546	28.0
91.05471	9.2
93.07046	11.8
95.04975	34.6
95.08621	10.1
97.06509	1.6
104.18261	1.6
105.07058	7.9
107.04976	9.9
107.08572	7.3
109.06523	27.1
109.10152	3.5
113.06004	100.0
116.98609	2.4
117.07008	5.7
119.08595	6.4
121.10162	3.9
129.06975	2.6
131.08582	6.1
133.06477	1.7
133.10103	4.7
134.99675	1.8
135.08054	22.5
135.11652	3.4
138.51631	1.8
143.08589	2.8
145.10095	4.3
147.04431	2.1
147.08023	2.4
149.09526	3.1
154.93950	2.0
157.10199	1.9
159.11621	3.5
161.09671	2.9
171.11688	2.3
175.11092	2.6
177.12776	2.9
187.18932	1.6
217.15915	7.6
255.17439	2.1
270.33316	1.9
273.18488	14.7
277.00885	6.0
291.19540	46.1
292.19992	2.0
305.21094	5.8
323.05692	2.4
323.09085	2.8
323.22699	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2217
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.8
55.01865	15.9
55.05513	34.6
57.03430	5.6
57.07075	7.6
64.56156	3.5
65.03924	4.6
67.05170	6.1
67.05503	67.8
69.03420	7.0
69.06788	3.4
69.07075	42.3
69.50304	7.6
69.50709	27.5
71.04978	8.3
79.05496	53.1
81.03409	6.6
81.07064	100.0
82.07375	3.9
83.04988	25.4
83.08608	15.4
85.06540	7.0
91.05481	62.2
93.07050	62.8
95.04957	16.4
95.08616	48.1
97.02893	6.5
97.06535	13.1
97.10181	6.7
99.08061	4.8
105.07027	57.3
107.04950	20.7
107.08601	61.7
109.06508	18.2
109.10158	59.7
111.04455	4.3
111.08100	9.3
117.06984	13.0
119.04916	5.1
119.08595	29.1
121.06506	23.9
121.10181	18.4
123.08072	8.9
123.11723	13.9
129.06987	11.3
131.08563	21.6
133.06496	20.5
133.10132	83.4
135.08040	9.6
135.11697	13.8
137.05977	8.8
137.09514	6.0
139.07532	13.7
143.08566	10.3
145.10110	14.0
147.08049	14.0
147.11676	13.7
149.09660	19.7
149.13225	5.2
151.10092	7.1
151.11185	73.8
159.08055	7.5
159.11678	7.9
161.09598	20.7
161.13297	5.4
163.11205	6.3
165.09109	4.0
169.84383	4.0
171.11729	9.6
173.13245	5.6
175.11157	11.1
177.09102	7.2
179.10667	15.5
183.13800	36.0
185.13211	5.0
189.12680	7.1
203.14323	7.0
205.14133	8.2
207.13780	5.9
217.12314	5.9
223.13377	4.6
227.17816	7.9
229.14319	3.9
233.15535	5.2
235.07582	5.4
245.18994	13.7
255.17390	6.5
263.06952	5.0
263.20074	21.7
273.18457	57.8
287.16425	4.0
291.10361	4.2
291.19501	98.9
295.09552	4.7
305.20923	7.9
305.23495	6.5
323.09106	10.0
323.12656	4.9
323.22244	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	323.2215
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.6
55.01860	3.4
55.05511	18.4
61.69033	0.9
62.06090	9.2
63.06414	0.9
67.05505	12.7
69.03427	4.0
69.06721	1.1
69.07066	14.2
71.04986	1.5
71.58449	1.4
79.05498	11.7
81.03427	1.0
81.07063	14.9
83.04971	1.8
83.08621	9.4
88.91182	0.9
91.05470	7.8
93.07033	10.6
95.04981	4.2
95.08609	6.7
97.02888	3.1
97.06527	1.9
97.10166	14.4
105.07034	6.5
107.04957	3.6
107.08604	9.4
108.97359	1.0
109.10172	3.6
111.08111	1.5
112.84392	0.9
114.25941	0.9
117.07023	3.0
119.08582	5.3
121.06502	3.2
121.10133	3.0
123.08092	3.5
123.11663	1.4
125.09628	12.2
129.06937	1.7
131.08568	5.1
133.06529	2.0
133.10124	3.3
135.08073	3.8
135.11693	1.3
137.09579	1.7
143.08566	1.0
145.10143	3.8
147.08049	3.8
147.11703	2.6
149.09590	1.5
153.09070	1.2
157.10184	1.1
159.11664	1.4
161.09662	1.8
162.10454	1.1
163.11354	0.9
165.09103	2.4
171.11760	1.4
175.11163	1.1
189.11180	1.2
189.12770	1.1
203.12740	8.3
203.17986	1.3
223.13310	11.2
237.14836	2.1
245.19012	1.4
249.14851	0.9
255.17755	1.6
273.18402	7.3
291.19540	100.0
292.19836	3.2
305.21082	17.0
323.12991	1.0
323.16367	1.2
323.22269	3.6
323.27805	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1099
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03419	1.6
69.07042	0.5
71.50677	1.2
73.02921	1.5
85.02899	1.1
95.02686	0.7
107.04958	1.2
114.02944	0.6
119.01917	1.1
121.06506	3.8
131.01923	1.7
145.03484	0.9
145.06487	0.7
155.01820	0.7
155.03529	0.6
161.06039	0.7
173.06044	0.7
185.04251	1.3
190.36710	0.6
197.06560	1.2
220.62871	0.5
221.04999	1.6
221.06772	1.2
227.00140	0.6
233.06648	2.5
323.11023	100.0
324.11264	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	323.1278
Annotation	4''-Deoxyterphenyllin
Peak:m/z	Relative Intensity
50.36858	0.2
55.05499	0.4
61.81131	0.2
67.05476	0.4
69.03385	0.4
69.07043	0.5
69.41330	2.2
71.04955	0.8
79.05464	0.3
81.07053	1.7
85.02887	0.6
91.05473	0.4
93.07023	0.5
95.04940	0.5
95.08599	1.1
98.97536	0.2
105.07022	1.1
107.08556	0.8
109.02850	0.2
109.10144	0.7
115.05462	0.2
119.08575	0.4
121.10114	0.6
123.11648	0.3
133.06453	1.3
133.10005	0.3
137.05942	0.7
143.08517	0.3
147.04320	0.3
149.05949	0.6
149.13179	0.4
151.07527	0.4
153.06956	0.5
161.05937	1.2
165.05630	0.3
165.06996	0.4
168.05579	0.2
177.05406	0.3
178.07736	0.4
181.06467	1.0
183.04213	0.3
183.08078	0.2
184.05107	0.3
187.07423	0.3
189.06960	0.4
191.08502	1.0
192.09331	0.8
194.07236	0.3
197.05983	0.6
198.06798	1.6
199.07466	1.7
200.08195	0.3
202.07758	3.6
203.08551	13.1
204.09055	0.5
205.06494	2.0
205.10060	0.3
206.07205	0.4
208.05185	0.2
209.05940	0.3
209.09645	0.5
210.04886	0.2
210.06673	1.4
211.07523	0.7
213.06987	0.3
213.09109	0.7
215.08597	0.6
218.07320	0.5
219.08057	3.0
220.08832	4.7
221.09528	1.1
223.07483	0.3
224.08334	1.0
225.05505	0.3
225.08983	0.3
226.06259	2.3
227.06982	0.6
229.06480	0.3
230.07263	0.9
231.08034	15.2
232.08771	4.2
233.05984	2.5
233.09526	0.7
234.06728	0.9
235.07491	0.7
235.11147	0.8
236.04666	0.4
236.08298	0.3
237.05450	0.6
237.09081	3.2
238.09691	0.4
239.07042	0.6
240.07782	0.6
241.08585	7.6
243.08395	0.3
245.09561	0.9
247.07512	3.2
248.08315	24.3
249.05507	0.2
249.09067	3.7
250.06198	1.0
251.06984	2.2
251.10689	0.6
252.07726	0.6
252.11455	1.0
254.09233	0.5
255.06462	0.4
258.06723	0.7
259.07547	7.0
260.08282	3.3
261.05493	1.4
261.08899	1.7
262.06454	1.8
262.09830	3.4
263.10657	16.9
264.07822	1.0
264.10812	1.2
265.05399	0.4
265.08578	5.8
266.08716	0.3
267.10144	0.5
269.08047	6.0
270.08691	0.7
273.09125	1.0
274.09814	0.5
275.07013	0.9
275.10626	1.0
276.07800	15.4
277.08554	10.0
278.05701	1.3
278.08835	0.5
279.06473	2.5
279.10126	1.6
280.07281	1.3
280.10876	2.1
281.11639	0.7
282.08636	0.3
289.08682	0.3
290.09311	2.3
291.10129	49.1
292.07260	1.1
292.10788	9.6
293.08078	8.4
293.11261	0.5
294.08823	3.4
295.09561	2.7
295.13263	2.0
296.09576	0.3
305.11710	6.8
305.24716	0.7
307.09622	4.7
308.10403	9.7
321.11301	0.3
323.12753	100.0
324.09317	0.4
324.13086	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	322.2376
Annotation	Malycorin A
Peak:m/z	Relative Intensity
53.03937	7.2
55.01867	1.3
55.05258	1.8
55.05510	20.2
55.05777	1.8
56.05025	2.8
65.03941	4.1
67.05505	34.0
68.05025	2.8
69.07070	60.9
70.06598	1.6
70.07387	1.3
71.40414	1.4
73.06557	1.4
79.05493	47.1
80.05012	8.3
81.07059	27.9
82.06579	4.7
83.04961	2.1
83.08611	12.4
84.08144	2.4
85.06522	2.5
91.05479	30.1
92.05006	8.2
93.05786	4.8
93.07042	29.4
94.06570	7.6
95.04968	7.6
95.08601	13.9
96.04510	1.5
96.08169	2.0
97.06554	2.3
97.10177	2.5
98.20698	2.3
99.08100	1.6
103.05444	1.3
104.28377	1.2
105.07041	11.1
106.06570	11.0
107.07363	1.7
107.08593	11.3
108.08121	17.3
109.06488	1.5
109.10149	5.3
110.09682	2.1
111.08102	2.2
115.05429	1.7
115.72655	1.4
117.07015	9.7
118.06577	9.5
119.07303	1.6
119.08602	8.9
120.08131	7.3
121.10169	4.6
122.09679	2.2
124.07561	1.4
129.07039	1.5
130.06511	1.3
131.08562	7.9
132.08092	6.7
133.08977	1.7
133.10161	5.8
134.09680	6.9
135.11687	3.1
143.08571	2.9
144.08125	2.2
145.10132	2.3
146.09593	1.9
147.10506	1.5
147.11732	2.0
148.11211	23.1
149.13300	1.1
158.09709	2.4
159.11691	5.9
160.11259	1.9
162.12772	2.9
169.10193	1.5
175.65033	1.2
176.14354	17.0
186.12787	5.6
204.13811	23.2
205.14270	1.3
216.80701	1.2
222.14877	24.5
222.16846	2.0
223.15320	1.7
236.16606	1.9
248.20125	2.9
290.21127	1.9
304.22717	100.0
305.22995	7.5
322.23633	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	322.2376
Annotation	Malycorin A
Peak:m/z	Relative Intensity
52.08900	2.6
53.03939	5.8
55.05508	21.3
59.04988	2.4
61.48564	2.4
65.03936	7.2
67.05170	3.7
67.05509	56.7
69.07068	57.6
69.98927	14.6
73.06580	2.6
79.05497	52.8
80.05030	25.1
81.07058	86.7
82.06602	4.7
83.08611	6.7
85.06539	6.8
91.05482	34.0
92.05019	5.9
93.05791	3.4
93.07047	46.9
94.06555	8.9
95.04968	6.1
95.08604	20.6
96.04507	3.1
96.08143	7.5
97.06516	5.6
98.06067	3.0
98.21467	2.7
105.07031	17.9
106.06553	12.1
107.07361	3.2
107.08616	16.0
108.08138	16.2
109.06508	3.1
109.10147	10.6
110.27155	2.6
117.07000	6.9
118.06538	4.4
119.08591	4.6
120.08089	12.8
121.10130	9.1
123.11691	5.7
126.81646	2.5
131.08540	10.4
133.10127	8.0
134.09618	4.9
135.11705	12.8
147.10422	2.2
147.11668	10.9
148.11139	6.3
149.13243	8.1
159.11702	14.4
162.12834	3.1
165.12856	3.0
176.14360	20.4
177.12724	6.2
204.13983	8.2
222.14880	27.2
257.00400	2.4
272.19876	3.5
302.87924	2.3
304.22711	100.0
305.23099	7.0
322.24048	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	322.2375
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00325	0.9
53.03944	2.7
55.01879	1.1
55.05510	11.4
56.05030	3.1
65.03938	4.2
67.05505	36.5
68.05012	1.0
69.07069	71.2
70.06585	1.6
70.07416	1.3
71.60595	1.7
79.05492	29.5
80.05021	13.7
81.05748	1.2
81.07056	36.0
82.06580	3.9
83.04972	0.9
83.08622	6.9
85.06550	3.2
91.05479	18.9
92.05004	7.8
93.05798	2.5
93.07042	30.6
94.06565	9.0
95.04967	3.8
95.08598	13.6
96.04471	1.0
96.08140	3.9
97.10164	1.7
98.06069	3.0
101.75932	0.9
105.07037	11.0
106.06553	11.8
107.08590	18.3
108.08122	4.2
109.06538	1.1
109.10149	9.9
110.06035	1.6
110.09700	1.6
115.05470	1.2
117.07028	12.4
118.06540	2.7
119.07262	1.1
119.08601	3.4
120.08109	11.5
121.06517	0.8
121.10141	5.0
122.09682	3.2
130.06502	1.7
131.08572	10.3
132.08086	3.0
133.08975	1.1
133.10133	5.0
134.09650	9.4
135.08031	1.1
135.10738	1.6
135.11662	7.8
138.09128	1.0
139.66266	0.9
143.08553	1.0
144.09343	1.8
145.10112	1.4
146.09610	1.5
147.11687	1.6
148.11206	7.9
149.13264	9.5
157.10147	1.2
158.09599	1.1
159.11693	11.4
162.12779	1.2
176.14362	22.6
177.12807	2.7
186.12740	1.8
204.13838	6.4
208.17021	1.2
222.14888	100.0
223.15196	6.3
236.16408	1.6
272.19968	1.6
304.22687	42.6
305.23175	2.0
322.23779	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	322.2014
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	6.8
55.01871	6.5
55.05512	18.9
58.06660	2.9
60.96535	3.4
62.06094	3.3
65.03934	4.2
66.31949	3.2
67.05506	32.2
69.07068	17.7
69.40447	34.7
70.02934	6.8
79.05491	65.6
80.01365	8.6
80.05002	10.2
81.03418	7.7
81.07056	100.0
83.04965	13.3
83.08616	6.3
91.05481	28.4
93.07052	22.3
94.06577	4.4
95.04945	6.3
95.08588	21.9
98.21540	6.1
103.05455	3.7
105.07019	12.7
106.06576	11.2
107.04977	15.9
107.08559	12.6
108.04469	8.6
108.08122	6.6
109.06512	47.8
109.10167	12.7
117.06994	12.5
118.06540	6.5
119.08563	7.5
120.08081	5.2
121.06565	4.2
121.10162	3.9
122.09672	4.9
122.87170	3.9
123.08019	4.6
124.11211	3.9
125.09592	4.1
126.05521	9.6
129.07042	4.3
131.08556	8.6
132.04471	11.6
132.08043	6.1
133.06490	6.6
133.10115	4.8
134.06004	13.3
134.09625	7.5
135.08072	5.3
135.11662	4.4
144.08118	4.2
145.06435	5.4
145.10124	8.4
147.08012	3.7
148.07666	4.1
152.10707	21.7
160.07553	7.0
162.09119	8.4
171.08046	3.3
174.09134	6.6
208.09654	4.9
222.14883	4.5
230.15613	4.3
254.97151	4.2
258.14932	3.5
258.18408	4.1
276.19540	5.6
286.17920	16.4
299.06314	5.6
304.19080	35.4
322.16992	4.3
322.27588	22.3
323.05484	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2425
Annotation	11,12-EpETrE
Peak:m/z	Relative Intensity
53.03941	3.4
55.01862	4.5
55.05262	1.8
55.05512	21.4
57.03431	1.5
57.07067	5.8
59.05003	2.0
65.03921	2.4
67.05503	32.0
69.03427	12.2
69.07066	51.7
69.58324	10.3
70.07386	2.1
71.04983	4.9
71.08617	1.2
72.67739	1.2
79.05051	1.9
79.05489	22.0
81.03415	11.8
81.07055	100.0
82.07393	2.2
83.04981	4.9
83.08628	13.9
85.02908	3.7
85.06544	16.0
87.04465	2.4
89.03903	1.7
91.05469	12.9
93.07042	37.6
95.04958	8.6
95.08606	72.1
96.08948	1.7
97.02886	3.1
97.06532	8.8
97.10173	8.4
99.04469	4.2
99.08073	7.6
102.04430	1.4
105.07034	26.5
107.07858	2.8
107.08594	49.4
108.08917	2.1
109.02883	4.3
109.06511	10.9
109.10157	57.4
111.04440	18.1
111.08081	4.4
111.11721	7.6
113.02387	1.7
113.05995	4.1
115.03908	1.8
116.98591	1.5
117.03372	4.8
117.07013	2.9
119.08583	29.4
121.06490	4.7
121.10140	36.0
121.32322	1.1
123.08027	3.3
123.11709	20.5
125.05965	11.2
125.09624	7.4
127.04018	1.5
127.07557	1.7
127.11198	4.6
129.06984	1.6
131.08585	7.6
133.06462	1.4
133.10129	22.1
135.08076	4.3
135.11699	22.9
137.06015	2.3
137.09625	4.3
137.13239	13.2
139.07518	3.9
139.11163	8.2
142.07802	1.4
143.08502	1.9
145.02831	14.8
145.10118	15.6
147.04402	1.5
147.08023	2.1
147.11693	21.9
149.09616	6.8
149.13258	12.0
151.07529	3.1
151.11186	4.8
151.14821	2.4
153.09094	2.3
153.12689	1.3
157.10118	2.7
159.11678	13.5
161.09627	4.9
161.13257	13.1
163.11192	3.6
163.14803	3.4
165.09105	1.9
165.12749	2.5
167.08597	1.7
167.10686	4.3
169.10085	1.6
171.10199	2.1
171.11653	2.5
173.13271	5.5
175.11200	4.0
175.14827	10.0
177.05492	26.4
177.12755	3.9
177.16393	3.8
179.10718	6.2
181.12201	2.9
185.13269	1.5
187.14844	7.9
189.12721	4.3
189.16336	2.9
191.10684	1.6
191.17938	8.4
193.12215	5.8
195.13777	2.0
199.14778	2.9
201.12811	1.4
201.16397	5.3
203.17984	3.8
205.15884	3.4
207.13829	5.2
209.18967	2.0
211.14839	2.4
215.14153	1.9
215.17969	1.8
218.07327	2.0
219.13936	1.7
221.15355	5.8
223.16771	1.4
229.15877	2.7
233.15381	2.6
243.21085	4.8
247.16849	3.8
251.06966	1.1
257.22672	10.6
261.09131	3.6
261.21756	1.4
267.21063	4.2
275.23712	7.4
278.05725	1.5
278.09299	1.8
285.22131	11.0
289.08640	4.5
290.09268	2.0
293.24799	3.4
303.23184	33.5
304.23636	2.2
306.08893	1.8
313.01849	1.3
321.10580	9.6
321.24234	34.4
322.11679	2.4
322.24710	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	322.2011
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	28.2
55.01878	16.8
55.05516	22.8
65.03935	7.9
67.05503	78.1
69.03434	4.7
69.07082	19.1
70.02945	20.5
70.23004	6.8
70.23411	12.0
71.04999	7.7
79.05489	68.5
80.01363	4.3
80.05007	16.1
81.03419	68.6
81.07057	100.0
81.11761	3.3
82.06571	6.3
83.04990	26.1
83.08600	8.4
85.06551	5.3
88.32463	3.7
91.05480	60.6
93.05752	4.4
93.07039	65.6
94.06550	5.7
95.04967	31.9
95.08605	49.8
96.04471	4.1
96.08109	4.8
97.06548	4.7
98.06052	14.6
99.08098	6.9
103.05513	4.2
105.07024	38.2
106.06558	11.4
107.04948	72.0
107.08604	23.2
108.04497	5.7
108.08112	30.2
109.05245	4.0
109.06503	8.6
109.10110	20.4
110.06046	12.5
111.08091	6.7
117.07021	26.4
118.06554	7.5
119.04928	5.8
119.08572	15.2
120.08134	8.2
121.06496	14.9
121.08843	5.6
121.10123	7.7
122.06047	7.4
123.04453	5.3
123.08043	25.7
124.07619	9.6
124.11221	4.9
126.05510	80.3
128.06171	4.1
129.06995	10.0
131.04953	4.9
131.08537	25.5
132.04443	11.0
132.08109	8.1
133.05327	5.4
133.06517	14.0
133.10114	20.4
134.06004	12.8
134.09669	15.3
135.07025	3.7
135.08057	8.4
135.11682	26.7
136.07556	18.4
141.06989	12.2
143.08549	10.0
145.06487	18.9
145.10103	8.5
146.06032	14.7
146.09659	5.2
147.08066	7.9
148.07628	17.4
149.13286	11.4
151.11140	6.8
153.05476	7.6
154.07788	5.1
157.10150	3.9
159.08061	7.3
159.11642	27.1
160.07539	5.2
161.08412	22.4
161.09641	6.2
162.09140	30.4
169.10129	14.4
171.08047	5.9
174.09164	14.7
176.10707	4.9
177.12738	17.9
187.11200	24.4
187.12717	4.4
188.10759	6.0
195.13841	9.9
205.12280	7.9
213.12723	5.9
223.13203	5.4
230.15477	10.3
241.14323	14.6
248.16489	14.7
258.18552	10.0
268.16971	6.4
276.19623	11.8
286.18076	38.6
287.18686	5.2
304.19064	85.2
322.20190	6.7
322.27417	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	321.2424
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19394	3.4
51.21229	2.9
53.03943	5.4
55.01860	4.2
55.05514	21.5
55.91204	3.3
56.96561	10.8
57.07063	12.2
59.04972	6.6
64.63251	3.0
67.05180	4.0
67.05509	45.5
69.03437	16.1
69.07068	28.9
70.18569	15.5
71.04970	12.7
79.05487	29.4
81.03413	9.6
81.06579	5.4
81.07057	100.0
82.07362	3.2
82.95284	2.9
83.04977	12.5
83.08609	13.6
85.02888	13.2
85.06541	37.5
87.04466	5.6
91.05475	23.4
93.07046	73.5
95.04974	16.5
95.08604	90.6
97.02895	8.3
97.06532	16.3
97.10168	13.3
98.97587	5.3
99.08074	6.5
100.11249	5.3
103.05452	7.4
105.07037	39.9
107.08602	97.3
108.08892	4.0
109.02825	6.2
109.06512	13.7
109.10154	79.2
110.97602	3.6
111.04433	8.2
111.08064	6.0
111.11749	5.1
113.09640	9.3
115.07557	5.9
116.98611	7.4
117.06998	4.8
119.08575	59.4
121.02879	4.1
121.10138	52.2
123.08061	8.3
123.11724	28.8
125.06018	8.3
125.09625	32.9
126.10023	3.2
128.98582	7.3
129.06984	9.3
131.04886	11.9
131.08562	12.4
133.10146	31.5
134.99677	7.0
135.08041	12.2
135.11702	53.4
136.12015	3.6
137.05983	31.0
137.09607	14.6
137.13261	6.4
143.08626	5.1
143.10670	49.0
145.01761	4.2
145.02808	7.0
145.10129	14.0
146.99625	9.1
147.04425	8.5
147.07986	4.0
147.11681	33.1
149.09622	5.0
149.13286	17.9
151.03905	8.3
151.11201	8.2
153.09091	7.9
157.06432	7.5
157.10143	5.8
159.11638	16.8
161.01178	6.0
161.09583	3.8
161.13295	21.6
163.11165	7.5
163.14830	9.4
165.12819	4.6
173.13243	9.4
175.07501	6.7
175.11102	4.8
175.14786	31.5
177.05447	11.1
177.12646	3.6
177.16336	4.5
178.03841	7.9
187.14798	13.2
189.09056	23.2
189.16441	6.0
190.07805	3.7
190.09494	3.8
191.17984	4.2
193.15871	16.0
199.14925	4.6
201.16362	8.3
203.17970	8.2
207.13838	3.6
211.14938	4.8
215.17926	5.3
217.19511	5.3
218.07277	12.6
219.01802	10.0
219.17421	7.4
233.09673	7.2
235.07550	6.0
237.02821	14.9
243.17291	5.5
246.06750	8.1
257.22668	6.6
261.09216	19.7
263.07007	4.7
267.21140	7.2
273.22028	5.8
275.23737	10.8
278.09329	5.7
280.07724	11.6
285.22180	16.4
289.08508	30.7
290.09021	6.9
291.09888	4.2
293.11697	5.2
293.24677	10.6
303.23181	56.1
306.08795	12.2
321.11343	71.1
321.20703	6.6
321.24219	48.6
322.11783	16.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2421
Annotation	11R,12S-EpETrE
Peak:m/z	Relative Intensity
53.03943	3.5
55.05496	17.7
57.03429	9.4
57.07071	3.8
67.05503	60.2
67.05862	3.7
69.07070	20.1
69.65248	5.9
69.65662	15.9
71.04995	31.1
79.05494	38.2
81.07059	100.0
83.04963	11.0
83.08617	8.6
85.06554	4.8
87.11092	3.2
91.05468	23.0
93.07052	61.4
95.04977	50.4
95.08607	65.6
97.06509	5.5
97.10146	4.6
99.08064	4.0
105.07027	40.1
107.08591	94.7
109.06503	7.5
109.09473	2.6
109.10146	64.1
110.23433	3.2
111.07988	3.5
117.06998	5.0
119.08576	41.8
121.06516	3.8
121.10128	31.1
123.08045	3.9
123.11703	16.4
125.09619	8.6
127.11185	12.3
131.08603	9.3
133.09404	2.7
133.10150	27.6
135.11687	61.3
137.09607	6.8
137.13281	4.0
143.08496	4.6
143.10699	9.4
145.10120	17.2
147.04417	5.3
147.11655	21.5
149.13248	5.6
152.07784	2.8
153.12735	26.3
157.10170	4.8
159.11740	18.2
161.13257	11.6
163.11165	12.0
164.56406	3.0
165.12610	4.1
171.11684	6.3
173.13251	9.3
175.11102	3.4
175.14772	31.0
176.32303	2.8
177.12808	5.2
177.16270	3.4
187.14777	5.4
188.71635	3.5
189.16385	15.4
193.15825	30.2
199.14777	19.1
203.17911	6.7
215.17863	3.9
217.15958	5.2
247.20534	5.1
257.22687	5.3
275.04504	7.0
285.22189	13.4
303.20010	5.9
303.23178	79.2
304.23505	7.3
321.11066	33.9
321.16675	11.4
321.24283	53.7
322.24432	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	321.2424
Annotation	11S,12R-EpETrE
Peak:m/z	Relative Intensity
50.19394	3.4
51.21229	2.9
53.03943	5.4
55.01860	4.2
55.05514	21.5
55.91204	3.3
56.96561	10.8
57.07063	12.2
59.04972	6.6
64.63251	3.0
67.05180	4.0
67.05509	45.5
69.03437	16.1
69.07068	28.9
70.18569	15.5
71.04970	12.7
79.05487	29.4
81.03413	9.6
81.06579	5.4
81.07057	100.0
82.07362	3.2
82.95284	2.9
83.04977	12.5
83.08609	13.6
85.02888	13.2
85.06541	37.5
87.04466	5.6
91.05475	23.4
93.07046	73.5
95.04974	16.5
95.08604	90.6
97.02895	8.3
97.06532	16.3
97.10168	13.3
98.97587	5.3
99.08074	6.5
100.11249	5.3
103.05452	7.4
105.07037	39.9
107.08602	97.3
108.08892	4.0
109.02825	6.2
109.06512	13.7
109.10154	79.2
110.97602	3.6
111.04433	8.2
111.08064	6.0
111.11749	5.1
113.09640	9.3
115.07557	5.9
116.98611	7.4
117.06998	4.8
119.08575	59.4
121.02879	4.1
121.10138	52.2
123.08061	8.3
123.11724	28.8
125.06018	8.3
125.09625	32.9
126.10023	3.2
128.98582	7.3
129.06984	9.3
131.04886	11.9
131.08562	12.4
133.10146	31.5
134.99677	7.0
135.08041	12.2
135.11702	53.4
136.12015	3.6
137.05983	31.0
137.09607	14.6
137.13261	6.4
143.08626	5.1
143.10670	49.0
145.01761	4.2
145.02808	7.0
145.10129	14.0
146.99625	9.1
147.04425	8.5
147.07986	4.0
147.11681	33.1
149.09622	5.0
149.13286	17.9
151.03905	8.3
151.11201	8.2
153.09091	7.9
157.06432	7.5
157.10143	5.8
159.11638	16.8
161.01178	6.0
161.09583	3.8
161.13295	21.6
163.11165	7.5
163.14830	9.4
165.12819	4.6
173.13243	9.4
175.07501	6.7
175.11102	4.8
175.14786	31.5
177.05447	11.1
177.12646	3.6
177.16336	4.5
178.03841	7.9
187.14798	13.2
189.09056	23.2
189.16441	6.0
190.07805	3.7
190.09494	3.8
191.17984	4.2
193.15871	16.0
199.14925	4.6
201.16362	8.3
203.17970	8.2
207.13838	3.6
211.14938	4.8
215.17926	5.3
217.19511	5.3
218.07277	12.6
219.01802	10.0
219.17421	7.4
233.09673	7.2
235.07550	6.0
237.02821	14.9
243.17291	5.5
246.06750	8.1
257.22668	6.6
261.09216	19.7
263.07007	4.7
267.21140	7.2
273.22028	5.8
275.23737	10.8
278.09329	5.7
280.07724	11.6
285.22180	16.4
289.08508	30.7
290.09021	6.9
291.09888	4.2
293.11697	5.2
293.24677	10.6
303.23181	56.1
306.08795	12.2
321.11343	71.1
321.20703	6.6
321.24219	48.6
322.11783	16.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07876	1.9
55.05480	2.7
56.96566	2.6
57.03451	3.8
60.04513	1.8
61.20792	1.9
67.05499	10.7
69.03441	5.3
69.50137	19.2
73.02908	6.2
78.03577	2.3
82.06580	3.0
83.04971	6.3
85.02896	4.3
86.45618	2.2
91.05473	6.4
93.07031	6.2
94.06560	12.6
95.04974	3.2
95.07308	3.7
95.08596	2.7
96.08134	3.7
97.02936	2.3
97.06547	2.2
98.06053	8.3
98.20798	4.5
99.45166	2.1
101.00900	2.5
107.04947	3.8
107.07287	2.8
108.08115	8.4
110.06039	9.4
110.09698	4.1
111.04440	3.5
115.02419	2.5
119.01897	21.9
119.04948	4.6
120.08094	6.5
121.06468	2.7
122.06010	10.8
123.06816	4.7
124.07642	4.2
126.05530	3.1
131.01917	20.4
133.03487	4.2
136.07645	4.9
137.02972	3.5
137.08366	4.8
138.05493	17.0
138.09146	20.2
139.03896	9.9
144.08112	2.1
145.03474	15.1
145.04462	2.4
147.04372	12.0
148.07599	4.1
149.02971	6.1
153.24785	2.3
154.02194	2.4
155.01932	7.9
156.02586	2.4
156.06540	49.9
157.03433	8.1
159.10211	2.2
160.11179	2.1
161.02936	3.1
166.08633	100.0
169.08899	3.3
170.09731	3.3
173.02974	15.3
175.04491	2.4
182.09676	3.6
184.11244	5.4
185.02937	4.6
186.09131	3.0
187.09888	3.0
188.10628	3.6
195.05032	10.3
195.09203	4.3
196.09988	7.3
197.10722	2.9
202.08673	7.1
203.03877	2.5
206.08414	24.3
210.11447	3.3
211.08809	2.4
211.12329	12.4
214.08614	5.8
215.09503	5.8
216.10196	4.1
219.04994	3.8
220.05768	2.9
220.09912	5.1
221.05026	17.2
221.10806	7.4
223.08670	8.1
224.09381	11.1
225.10197	3.8
226.11050	2.9
227.08182	5.6
227.11708	2.3
230.11703	8.3
231.05055	10.3
232.09721	5.2
233.10442	3.9
234.11264	8.9
237.05997	3.5
237.10225	5.4
238.10950	10.5
239.11740	27.5
241.09735	2.8
248.12798	4.3
249.06023	12.1
252.09061	3.2
254.10449	3.4
255.11339	2.4
257.12769	5.8
258.11221	17.7
262.10797	13.3
267.11282	52.1
272.11771	4.8
275.13885	2.7
276.12308	33.1
285.12326	56.7
291.07578	2.7
303.13370	37.7
304.11749	29.2
312.78873	2.4
321.08710	64.8
321.14526	47.0
322.08737	7.4
339.09265	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	321.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30789	0.6
54.09153	0.6
55.05515	0.8
56.96549	1.0
57.07061	0.9
67.05476	1.0
69.07050	1.3
70.06599	0.8
71.02644	0.7
71.02991	1.6
71.04984	1.4
71.08640	0.7
74.19398	0.7
79.05482	1.3
81.07062	4.0
81.59553	0.7
83.01090	2.1
88.07617	1.7
89.07943	0.6
91.05482	1.2
92.27676	0.6
93.07034	3.6
95.04980	0.7
95.08598	2.0
98.25495	0.7
102.09130	0.8
105.07002	1.0
107.08582	2.9
109.10151	1.7
119.01949	0.8
119.08617	0.8
121.10107	0.9
123.59618	0.8
133.10104	0.9
135.11702	1.7
147.04422	1.3
153.12833	1.1
180.25711	0.7
193.12091	0.7
207.95839	0.7
247.09850	1.0
250.09402	1.3
257.26654	2.3
258.26947	1.1
259.27295	3.3
261.18265	70.8
262.18579	3.4
287.11423	1.1
292.06174	1.4
321.20361	100.0
321.30856	17.3
322.10760	2.8
322.20618	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1155
Annotation	Unknow
Peak:m/z	Relative Intensity
55.67879	0.3
56.96556	1.0
63.71560	0.3
66.15072	0.3
71.38424	0.7
73.02888	0.4
85.02876	0.4
98.97584	1.0
101.00882	1.0
103.02444	0.4
110.97581	0.3
112.99135	1.2
113.00885	0.4
114.09166	0.3
115.02419	1.9
116.98608	0.7
119.01913	3.3
121.03500	0.4
129.03954	0.4
131.00168	3.0
131.01875	2.7
133.03461	11.1
134.03618	0.6
137.02899	0.5
141.06622	0.5
143.01880	1.6
145.03494	1.9
147.04993	1.0
149.01208	2.1
151.04503	2.0
155.01912	2.8
156.02734	0.6
156.05006	0.3
157.03506	2.4
158.99632	0.4
159.05020	4.1
159.06274	0.6
160.09679	1.3
161.02948	2.8
162.03142	0.3
163.04512	0.6
169.03439	0.3
171.05019	2.8
173.02959	2.9
174.03140	0.4
175.03052	0.4
175.04567	1.3
177.00677	0.4
177.06056	2.5
177.14955	0.3
179.01819	0.7
183.05005	1.7
185.02927	1.3
185.06610	0.8
187.00902	0.4
187.04462	0.5
189.00626	0.3
189.06056	0.7
193.03735	0.7
195.07188	1.6
197.02956	1.6
199.04457	0.5
201.00702	0.3
201.06110	1.2
203.03955	1.4
205.05704	0.4
211.04689	1.0
213.06094	0.6
219.01730	0.6
219.07126	7.2
220.07423	0.6
221.03088	0.5
221.05080	5.4
222.05228	0.4
223.04796	0.6
231.03563	0.4
231.07108	7.5
231.09213	0.5
232.07295	0.5
233.08730	1.6
241.05634	0.4
245.05055	6.3
245.86627	0.3
246.05154	0.7
247.06702	0.6
255.07130	2.9
256.07495	0.4
259.06763	0.5
261.02713	0.5
261.08176	1.2
263.06161	0.6
273.08130	2.2
277.06073	0.5
279.09192	0.7
303.09277	0.3
321.11670	100.0
322.10547	5.0
339.11270	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1286
Annotation	Unknow
Peak:m/z	Relative Intensity
61.27623	0.5
67.05486	1.0
69.03407	1.0
69.07058	0.6
69.24923	0.5
70.06585	0.6
71.10549	0.5
71.58688	0.8
72.31293	0.4
83.04999	1.0
85.02905	1.4
91.23278	0.5
95.04960	0.9
98.97585	0.6
99.08107	0.5
127.03869	0.6
157.08659	1.5
163.03931	2.1
171.09016	1.0
174.09120	1.1
182.09639	0.7
183.09126	0.9
184.09956	1.4
198.07884	0.8
199.08679	2.2
199.12411	1.5
200.10735	0.9
205.07217	0.6
209.10695	0.7
210.09152	0.6
211.08704	1.8
212.09381	4.7
213.10175	4.6
223.62704	0.6
225.10187	2.7
226.10988	10.6
227.11766	13.2
228.10167	4.4
228.12120	0.7
229.15623	0.5
240.08911	0.6
245.12892	0.6
255.11261	7.1
256.11737	0.6
270.09982	17.9
271.10785	3.0
272.11520	16.6
273.12299	10.6
283.10764	7.2
301.11816	100.0
302.12109	5.4
319.12869	48.6
320.13135	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	319.1902
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09688	0.4
52.50837	0.3
55.05497	0.6
56.05021	0.6
57.07052	0.4
59.04992	0.3
60.04525	7.5
61.04860	0.9
65.03931	0.9
65.07021	0.3
67.05519	0.9
69.07058	1.1
71.04999	0.6
71.54147	0.4
71.54462	0.4
81.07066	1.9
88.07633	0.8
89.07961	0.4
91.05476	10.1
92.05817	0.7
93.07021	1.1
94.07370	0.4
95.08598	1.2
107.08593	1.3
108.08928	0.9
109.10142	0.7
119.04945	24.5
120.05270	2.1
121.05505	0.5
132.20502	0.4
133.10135	0.6
135.11679	1.4
136.11996	1.0
137.13222	1.1
147.04405	100.0
148.04745	8.4
149.04973	3.3
155.14308	6.7
173.14500	0.3
229.84566	0.3
244.81282	0.4
269.97562	0.4
271.28183	1.0
283.28271	1.0
301.29272	2.1
319.18396	0.6
319.30341	11.1
319.63235	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	320.134
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	1.6
57.03430	1.2
60.04517	0.7
61.02919	1.7
69.03414	2.6
70.06591	8.5
70.76334	1.8
70.76692	1.4
71.48493	0.7
73.02905	1.3
81.03402	2.2
83.04964	0.9
84.04491	3.3
84.08144	1.0
85.02908	6.7
94.06004	0.9
94.06551	6.2
95.07330	1.7
96.04491	6.9
96.08120	2.7
97.02887	1.7
98.06049	8.8
98.97585	1.6
102.05530	2.2
107.04971	1.4
109.02884	4.8
112.07573	3.5
114.05526	15.2
114.09148	1.0
116.98595	1.8
122.06030	2.3
123.04430	6.6
125.38570	0.8
127.03902	1.7
131.01846	0.8
138.05519	1.3
138.09119	6.7
140.07063	51.3
141.05472	4.3
141.07365	1.6
142.08629	1.4
145.04938	1.2
147.31589	0.8
158.08122	100.0
158.99586	0.8
159.08421	0.9
165.05492	0.8
168.10210	1.2
173.12828	1.4
177.00584	0.9
189.00726	0.8
193.28802	0.8
219.01828	0.9
237.02820	1.7
240.12311	3.5
258.13382	6.8
276.14432	2.0
279.07544	1.1
302.12259	3.2
320.13321	3.0
321.08954	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	321.0946
Annotation	Unknow
Peak:m/z	Relative Intensity
55.22727	1.6
69.62578	13.8
69.62904	3.3
73.17658	1.7
73.96629	1.7
87.00300	1.6
94.43478	1.7
94.67826	1.6
98.20822	2.5
98.97587	3.4
101.00917	2.2
112.99136	3.3
115.02391	2.3
116.98561	1.8
119.01920	5.6
124.16791	1.6
131.00165	5.0
131.01929	3.8
133.03465	14.1
143.01886	4.8
145.03487	2.7
149.01253	5.0
151.04546	3.4
155.01941	2.5
157.03502	2.5
159.05054	5.2
161.02989	4.9
164.92093	2.0
171.05025	4.1
173.02971	3.2
179.29576	2.0
179.83275	2.1
203.03937	2.8
211.04762	2.3
219.07175	6.7
221.05040	8.9
231.07161	7.2
245.04965	8.9
273.08313	2.6
321.11356	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0448
Annotation	Norwedelic acid
Peak:m/z	Relative Intensity
54.89446	0.3
55.05534	0.6
56.05062	1.5
57.07103	1.0
58.06633	0.6
60.04522	12.0
67.05535	0.7
68.10717	0.3
68.99787	2.8
69.07098	0.7
69.88026	1.9
74.06106	0.9
81.03460	0.6
81.07092	0.6
83.08651	0.4
85.10204	0.4
88.07670	1.4
91.05505	0.6
95.08607	0.6
98.21387	0.6
99.59662	0.3
107.04994	0.4
107.08652	0.5
109.02928	1.2
111.00839	1.3
111.79392	0.3
115.05439	0.4
118.08729	0.3
119.04977	0.7
121.02882	0.4
131.04961	0.5
131.62802	0.3
135.11795	0.4
137.02324	9.5
137.03384	0.7
147.04384	2.1
148.04750	0.5
149.02319	0.8
154.36583	0.3
155.04932	0.4
159.04442	0.5
161.06058	0.9
162.41228	0.4
165.01848	6.0
171.04442	0.8
173.06099	0.4
175.03958	0.4
177.05533	1.2
183.02943	0.6
189.05496	1.3
190.94861	0.4
199.03943	1.1
201.05525	1.1
203.03426	1.1
209.00841	0.5
217.05043	1.0
227.03363	5.2
229.04950	2.2
245.04486	3.6
247.05981	1.9
255.02878	4.2
256.03677	0.9
256.26358	1.1
257.04416	4.7
270.27835	1.6
271.28134	0.4
273.03928	100.0
274.04269	2.1
275.05463	2.4
282.27884	1.1
300.28894	2.2
301.03473	1.1
301.29288	0.9
318.29990	11.1
319.04358	2.0
319.30365	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	319.0446
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01844	0.4
64.82790	0.3
65.03928	0.3
66.13744	0.2
67.42212	0.2
68.99782	2.7
71.59739	0.3
79.05470	0.3
81.03394	0.5
83.04938	0.3
85.73546	0.2
91.05450	0.4
93.03388	0.2
93.07030	0.5
94.06494	0.3
95.08629	0.3
97.02887	0.3
103.05424	0.3
105.06984	0.4
107.04922	0.9
109.02846	0.7
109.10149	0.3
111.00768	0.8
111.04419	0.3
115.05404	0.4
121.02830	0.5
127.03880	0.3
131.04825	0.3
136.07552	0.8
137.02336	8.6
137.03380	0.5
138.10138	0.3
143.04836	0.5
145.10139	0.3
147.04411	0.6
148.05862	0.3
149.02341	0.6
149.05940	0.4
153.01807	0.8
155.04897	0.6
157.77455	0.2
159.04337	0.3
161.05934	1.0
163.03911	0.5
164.06927	0.3
165.01831	6.1
169.01309	0.7
171.04405	1.7
173.05981	0.5
175.03960	0.4
177.05502	1.2
181.01247	0.5
183.02863	0.8
183.04332	0.3
187.03827	0.4
189.05406	1.5
199.03848	1.2
201.05493	1.2
203.03378	1.2
209.00883	0.6
217.04959	1.5
223.07626	0.2
227.03378	4.9
229.04965	3.4
243.11191	0.3
245.04446	4.4
247.06015	1.9
255.02893	4.1
256.03619	0.5
257.04443	4.4
258.13632	0.3
258.63516	0.3
264.01385	0.2
269.13049	0.2
273.03931	100.0
274.04309	1.7
275.05530	2.5
283.02292	0.5
287.13782	0.4
299.13943	0.6
301.03485	2.0
301.21707	0.4
315.13403	0.8
316.14084	1.2
319.04489	10.3
319.12198	0.4
319.22726	0.4
343.97934	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0448
Annotation	Norwedelic acid
Peak:m/z	Relative Intensity
55.05487	0.3
65.03929	0.3
67.05482	0.3
68.99783	3.3
71.62329	0.3
81.03394	0.3
82.16962	0.2
88.31161	0.2
91.05486	0.3
93.07034	0.4
103.05463	0.2
104.23864	0.3
105.44388	0.3
107.01286	0.3
107.04904	1.2
107.08598	0.3
109.02868	1.1
111.00809	0.9
115.05438	0.8
121.10114	0.4
123.06861	0.3
127.03881	0.3
131.04886	0.6
133.06476	0.3
136.07579	0.6
137.02335	9.5
137.03363	0.5
143.04912	0.5
145.06490	0.3
147.04433	0.8
149.02356	0.8
153.01851	0.6
155.04901	0.4
159.04395	0.4
161.05957	0.7
163.03903	0.5
164.07086	0.3
165.01828	5.5
166.11845	0.3
169.01315	0.5
171.04384	1.5
173.06004	1.0
175.03931	0.7
177.05460	1.0
181.01419	0.4
183.02890	0.9
183.04407	0.5
187.03909	0.5
189.05502	1.4
199.03906	1.2
201.05492	0.9
203.03362	1.3
209.00641	0.4
217.04941	1.6
227.03371	5.7
227.05487	0.4
229.04970	2.8
245.04471	5.1
247.05981	1.7
255.02914	4.4
255.11201	0.4
256.03583	0.9
257.04453	5.2
273.03931	100.0
274.04285	2.2
275.05508	2.7
285.85236	0.3
287.13779	0.5
301.03387	1.2
315.13345	1.2
316.14230	1.5
319.04486	8.5
319.11664	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0446
Annotation	Norwedelic acid
Peak:m/z	Relative Intensity
55.05481	0.2
56.96555	0.7
59.20821	0.2
60.04530	1.6
67.05479	0.2
68.99440	0.2
68.99792	3.2
69.07065	0.4
69.44418	1.5
73.14617	0.2
81.03391	0.4
81.07032	0.4
88.07622	0.4
91.05459	0.2
93.03439	0.3
93.07039	0.8
95.08616	0.2
102.09158	0.3
107.04973	0.2
107.08581	0.2
109.02901	1.1
111.00813	1.0
115.05449	0.7
117.06923	0.2
121.02889	0.2
123.84707	0.2
127.03902	0.3
131.04900	0.4
133.02837	0.2
133.06488	0.2
137.02339	8.1
137.03333	0.3
143.04912	0.3
145.06459	0.4
147.04410	0.7
149.02373	0.4
155.04926	0.5
156.83539	0.2
159.04439	0.3
161.05969	0.8
163.03922	0.3
165.00526	0.4
165.01840	5.7
171.04428	1.7
172.95184	0.3
173.05988	0.5
175.03883	0.7
177.05440	1.2
183.02930	0.8
187.03821	0.5
189.05516	1.6
199.03902	1.1
201.05463	1.3
203.03386	1.1
209.00897	0.4
215.07045	0.2
217.04868	1.3
227.03406	5.7
228.03981	0.2
229.04951	2.7
245.04448	4.9
247.06035	2.0
255.00189	0.3
255.02904	4.6
256.03607	0.8
256.26340	0.5
257.04443	5.2
273.03937	100.0
274.04340	2.3
275.05484	2.1
300.28848	0.3
301.03433	0.8
318.30020	2.2
319.04507	2.8
319.19507	0.4
319.30411	0.7
337.20511	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.1545
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20959	1.8
55.01868	3.1
57.03432	5.4
61.02915	11.0
69.03430	17.2
69.55993	3.9
69.56406	10.6
73.02904	4.2
81.03424	7.0
84.13578	2.0
85.02898	100.0
87.04449	2.2
91.03967	7.0
93.07025	2.0
97.02870	22.8
99.04463	3.8
109.02869	7.9
109.12569	1.8
121.06498	71.0
127.03904	22.4
129.02405	2.1
145.04953	40.8
156.10193	4.8
163.06030	13.7
180.08641	24.8
182.88394	1.9
187.07542	9.9
200.01379	1.9
205.08601	8.6
229.08685	4.9
237.02730	3.1
247.09651	4.8
261.90723	2.1
265.10602	2.9
318.15442	5.8
324.48361	2.1
325.31293	2.2
331.42871	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	318.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78414	0.8
53.03936	1.3
53.46765	0.7
55.01865	2.5
57.03437	4.4
58.58081	0.8
61.02923	8.9
69.03426	13.8
69.80579	2.7
69.80993	2.4
70.06283	0.9
70.06592	7.7
71.04981	2.4
72.08130	1.5
73.02899	3.5
81.03410	7.2
83.04974	0.9
84.08156	2.0
85.02902	76.6
86.09684	2.0
87.04478	2.4
91.03952	4.8
91.05462	4.4
93.07043	5.6
95.05000	1.0
97.02888	18.4
99.04440	3.9
103.03909	1.7
103.05468	2.2
105.06961	0.8
107.04949	3.5
109.02867	5.4
110.07206	1.0
111.04421	6.2
115.03923	1.0
115.08654	0.9
117.06989	0.9
119.04929	1.0
120.08104	2.2
121.06502	100.0
122.06861	2.1
124.07616	1.5
125.06985	0.8
127.03915	18.6
127.04832	0.7
129.06950	0.8
129.10307	1.0
130.06512	1.8
131.08591	1.0
133.06441	0.9
135.04404	1.4
137.05992	2.0
138.05380	1.3
138.06314	1.3
138.09132	17.0
139.03882	14.2
140.07080	1.5
145.04956	27.7
145.06258	1.3
145.06512	1.8
147.04413	0.9
149.06114	0.8
151.07538	1.8
156.10191	2.9
157.06496	1.2
157.07658	1.3
159.07997	1.9
161.05980	1.2
161.08078	0.8
163.06030	6.1
175.07521	2.1
179.07016	2.1
180.08676	2.0
181.05005	6.2
185.06111	1.1
187.07512	9.3
199.07495	0.9
201.09041	1.0
201.12398	0.9
204.07387	1.9
205.08566	9.6
221.09294	1.9
229.08621	3.6
241.85883	0.9
244.16699	1.1
246.08246	0.9
247.09676	5.8
265.10715	3.6
317.59161	2.0
318.29980	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1746
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.5
55.05499	0.9
55.77015	0.3
59.04991	0.6
59.77581	0.3
62.38222	0.3
65.03922	1.1
67.05488	1.1
69.07067	2.0
70.86730	0.9
71.04989	4.2
73.06546	0.4
79.05492	2.9
81.07053	8.2
83.08607	1.0
91.05478	9.9
93.07040	11.4
95.04960	0.5
95.08614	3.0
97.06542	1.0
100.89457	0.3
105.07023	1.2
107.08590	11.4
109.10172	2.1
119.04937	23.4
119.08590	0.7
120.05283	0.6
135.11690	11.2
135.12712	0.6
147.04404	100.0
148.04742	2.8
153.12738	9.0
165.05492	2.5
299.16324	1.6
304.80765	0.3
317.06647	0.7
317.17590	2.7
317.32462	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1957
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	5.2
55.05493	22.4
57.03423	16.9
58.06621	4.8
61.02903	4.1
61.15622	4.8
61.78699	4.3
64.74538	6.9
67.05485	15.7
68.69216	5.0
69.03421	13.6
69.07052	13.1
71.04993	74.2
71.62245	5.6
73.02905	22.7
73.06551	7.9
73.72523	4.4
75.04458	11.1
79.05477	18.6
81.03411	12.7
81.07050	38.7
83.04967	14.9
84.08121	8.3
85.02435	6.4
85.02901	72.8
86.09723	12.8
91.05448	23.5
93.07037	39.4
94.06550	7.7
95.04942	7.2
95.08588	18.9
97.02886	17.6
97.06504	10.3
99.04486	6.1
103.05442	5.3
105.07028	31.5
107.04946	30.0
107.08579	45.4
109.06514	23.8
109.10131	9.2
111.04482	5.1
115.05467	5.6
116.58023	5.0
117.05486	12.2
117.07010	9.8
119.04944	8.8
119.08544	38.4
121.06491	13.9
121.10132	10.8
123.04379	8.0
123.08035	11.5
125.85715	4.9
127.03893	6.6
129.05498	6.8
129.07054	5.8
131.08545	19.3
133.06400	5.5
133.10132	8.8
135.04416	10.4
135.08037	6.6
135.11688	22.5
136.07477	5.0
137.02325	6.9
137.05939	13.6
137.09618	11.3
137.13203	5.8
138.05467	10.1
139.07590	4.9
143.08577	6.7
145.02785	8.7
145.10069	10.3
147.04391	16.1
147.08035	9.7
147.11748	9.8
149.09633	8.9
150.05487	11.5
151.07561	5.4
151.11166	5.5
153.01843	23.3
153.12749	42.1
159.11711	9.8
161.05986	6.1
163.03903	46.1
163.11133	7.9
165.05467	7.7
165.12794	56.9
168.06569	25.3
173.09645	9.9
173.13127	6.0
175.11211	10.6
177.12726	14.3
189.09033	5.2
191.03345	8.7
193.12234	6.5
200.04832	5.8
201.12645	7.2
215.03239	8.1
217.04890	7.8
219.13890	5.3
229.05139	8.6
231.38194	5.2
240.28282	4.5
245.04564	5.2
245.15402	10.6
246.05167	6.0
257.04636	9.9
261.03894	10.2
263.16452	14.4
273.03998	7.6
281.17444	19.9
285.12289	9.2
289.03409	18.3
290.31937	5.6
299.18695	22.9
302.04147	22.5
303.04971	13.9
317.02902	37.4
317.06519	100.0
317.10992	17.0
317.14893	10.9
318.03482	14.2
318.06906	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	318.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.7
55.05502	0.7
56.96535	0.4
57.03434	1.6
61.02919	1.7
61.45951	0.3
67.05479	0.3
69.03428	3.9
69.07058	0.6
69.11002	0.3
70.06584	0.5
71.04979	0.5
71.61314	0.5
72.08109	0.5
73.02904	1.2
75.90208	0.3
79.05489	0.4
80.04974	0.3
81.03438	1.5
82.02962	0.4
82.06577	0.7
83.04951	0.4
83.08599	0.4
85.02434	0.4
85.02909	6.8
86.09692	1.2
87.04461	1.1
91.03941	0.4
91.05471	1.2
93.07054	2.2
94.07375	0.6
95.04950	0.4
95.08599	1.6
96.04495	3.3
96.08120	2.1
97.02899	3.1
97.05274	2.3
97.06525	1.1
98.97595	1.5
99.04446	0.5
100.07597	1.2
103.05452	0.9
106.33089	0.3
109.02878	0.6
109.06561	0.3
110.06047	5.0
110.09679	3.2
111.08083	0.8
116.98628	1.2
120.08141	0.7
121.06504	7.1
122.06857	2.3
125.08345	0.7
126.09149	8.0
127.03910	1.2
128.10727	0.3
128.98579	0.5
138.09135	20.4
139.07549	1.3
145.04915	1.0
152.10660	0.5
156.10194	100.0
157.10617	1.6
158.99667	0.6
163.03978	0.5
168.10165	1.0
173.12849	1.2
177.00662	0.6
179.04732	0.3
180.10257	0.7
189.00720	0.5
198.11275	0.9
201.00490	0.3
201.12439	0.5
210.96959	0.3
219.01740	1.0
221.38992	0.3
222.11183	0.5
231.01723	0.5
237.02704	1.5
246.43434	0.3
251.06786	1.0
251.57018	2.6
252.06906	1.0
301.11795	1.1
317.59033	8.7
318.09210	2.7
318.15311	3.5
318.59216	0.4
319.08551	0.9
319.12473	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1745
Annotation	porphyrinogen
Peak:m/z	Relative Intensity
53.03943	0.5
55.05497	1.6
59.04987	1.2
65.03925	0.6
67.05524	1.2
69.07050	1.8
70.09419	2.0
70.09830	0.9
71.04985	7.3
73.06557	1.0
79.05492	4.0
81.07058	13.8
83.08603	1.6
85.06566	0.4
91.05473	9.7
93.07039	12.4
95.04944	0.7
95.08604	3.0
97.06538	1.1
98.20793	0.6
105.07018	1.3
107.08590	11.5
109.10156	1.5
119.04941	23.0
135.11687	13.4
141.77811	0.5
147.04405	100.0
148.04721	1.1
153.12738	15.3
153.13940	0.9
156.96823	0.5
165.05476	3.0
219.09833	0.4
230.78377	0.5
239.17075	0.6
299.16412	2.0
317.17505	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	317.1747
Annotation	porphyrinogen
Peak:m/z	Relative Intensity
69.45287	42.8
69.45708	100.0
81.07043	49.0
81.92862	12.8
98.20708	26.6
129.79269	12.7
135.11623	17.6
137.13228	31.2
147.04393	26.4
162.41089	14.2
336.32645	16.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1746
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77153	0.6
55.05500	1.2
59.04977	1.6
60.04523	4.1
67.05505	4.4
69.07042	1.0
69.94154	3.1
71.04996	0.6
79.05489	1.2
81.07043	2.4
91.05477	6.7
93.07047	13.0
95.04940	1.0
95.08604	15.6
95.31115	0.5
97.06510	1.6
105.07024	0.8
107.07868	1.1
107.08589	16.2
109.06491	0.6
109.10151	17.6
111.15479	0.6
119.04938	20.2
119.08576	1.4
123.08083	0.5
127.10664	0.5
135.11687	23.1
136.12083	0.8
137.09705	0.8
140.50514	0.5
147.04405	100.0
148.04765	2.8
151.07516	0.8
153.12741	46.9
154.13077	1.5
158.75429	0.6
163.03940	0.6
165.05473	5.4
189.82426	0.6
216.53804	0.5
267.53024	0.5
299.16379	1.9
301.99902	0.6
309.73087	0.5
317.17465	3.5
317.21094	1.4
317.28830	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1746
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38904	0.4
54.75933	0.4
55.05516	1.0
55.34467	0.5
59.04992	1.0
60.04520	5.6
61.04845	0.6
67.05503	5.1
68.05830	0.5
69.07073	1.1
70.89246	1.0
70.89621	1.0
77.03906	0.5
79.05476	1.7
81.07059	2.5
83.08570	0.6
90.48116	0.5
91.05479	9.1
93.07043	9.9
95.08607	12.7
97.06540	0.9
105.07014	1.0
107.08593	15.6
107.43047	0.5
108.97641	0.5
109.06500	0.8
109.10155	19.3
119.04942	19.1
119.08593	0.9
120.05278	1.0
135.11693	18.3
136.12025	0.5
137.09659	0.7
147.04405	100.0
148.04712	2.4
148.56499	0.6
152.08125	0.4
153.12741	41.3
153.97849	0.5
154.13040	0.7
165.05487	5.0
244.21434	0.5
281.26743	1.0
299.16498	1.1
317.06516	0.9
317.17474	2.8
317.20905	0.9
317.28809	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	317.1747
Annotation	porphyrinogen
Peak:m/z	Relative Intensity
60.04509	5.0
61.09772	1.1
62.20725	1.1
64.31631	1.0
67.05502	3.0
69.07059	3.5
70.08155	3.8
79.05491	6.2
79.87519	1.1
81.07046	3.1
86.14745	1.1
91.05481	9.1
93.07036	16.6
95.08582	3.6
97.25307	1.1
106.59058	1.2
107.08591	19.5
109.10145	5.2
119.04935	18.8
135.11690	24.1
145.82481	1.1
147.04408	100.0
148.04709	2.6
153.12753	3.0
154.12981	1.3
165.04143	1.9
165.05487	28.7
165.06863	1.6
182.97232	1.2
226.62479	1.3
292.75555	1.2
317.28772	2.4
322.11768	1.3
338.46747	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1745
Annotation	porphyrinogen
Peak:m/z	Relative Intensity
52.29824	0.8
64.36240	0.8
64.77247	0.9
65.03918	1.2
69.07069	1.0
69.93417	4.3
79.05478	4.6
91.05480	8.7
93.07046	21.9
95.04951	1.4
95.08619	1.0
98.20823	1.0
105.07039	1.2
107.08590	38.7
108.08862	0.9
119.04102	1.6
119.04943	23.8
135.11691	54.9
136.11967	1.3
147.04407	100.0
148.04712	2.6
153.12711	1.9
160.64462	0.8
165.05461	3.4
176.54808	0.8
200.52740	0.7
262.64359	0.8
284.03741	0.8
299.16394	11.7
317.17484	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1745
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06989	7.0
55.05505	8.8
60.68185	6.7
67.05508	14.8
69.07054	8.1
71.61067	12.3
79.37353	6.9
81.07048	30.0
91.05477	17.6
93.07039	30.7
94.41722	6.4
95.08607	17.6
99.22735	6.5
103.05442	11.0
107.04938	29.4
107.08575	29.4
109.10146	68.1
119.04925	26.6
121.06479	7.4
121.10149	10.9
123.04485	12.6
123.11699	16.9
129.51163	6.2
135.11700	34.6
145.06474	14.7
147.04414	100.0
153.12749	15.3
165.05478	25.3
173.05995	20.2
177.05452	96.5
182.07362	9.1
183.08099	8.5
191.07021	32.6
197.05992	10.5
197.09592	10.5
201.05473	15.3
207.08060	9.2
210.06575	9.4
211.07434	12.2
215.07004	35.7
225.09088	36.7
243.10199	84.6
259.10632	8.7
281.15402	24.4
299.16309	40.7
317.06488	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	317.1745
Annotation	porphyrinogen
Peak:m/z	Relative Intensity
57.07063	1.1
67.05489	3.4
69.07070	10.1
69.85171	6.3
71.04974	1.3
79.05476	2.8
81.07050	4.6
83.04980	1.3
85.06545	2.7
91.05477	11.3
93.07044	12.0
95.08604	6.2
97.06512	2.1
105.07043	1.6
107.04960	3.8
107.08588	10.8
109.10139	5.0
119.04945	22.8
123.04459	1.1
135.11702	9.2
147.04408	100.0
148.04761	5.5
149.04965	1.7
153.12730	3.5
165.05470	8.7
317.06516	1.2
317.17487	5.0
317.20468	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1018
Annotation	Unknow
Peak:m/z	Relative Intensity
54.99403	0.3
69.59027	2.7
72.59983	0.4
79.05476	1.2
81.07051	0.7
89.03907	6.2
92.02618	1.3
93.03412	0.9
95.04962	0.6
95.08604	0.6
107.04955	3.4
107.08538	0.4
107.66490	0.3
109.02836	0.5
117.03370	8.1
121.02870	1.2
129.03461	0.4
135.04410	17.5
135.11711	0.5
136.04704	0.5
137.05980	1.4
139.03885	0.8
145.02841	13.1
149.44995	0.4
151.03944	0.9
153.01822	6.8
153.53075	0.4
163.03900	100.0
164.04250	2.1
165.05498	0.5
165.07123	0.3
217.04994	0.6
219.02707	0.4
228.04173	0.9
229.04991	2.8
245.04546	1.3
246.05266	1.4
251.24002	0.4
257.04437	2.1
273.03943	1.2
274.04691	3.4
284.03256	0.6
285.03928	3.2
296.63416	0.4
301.00308	0.4
302.04187	10.4
303.04364	0.6
317.06552	50.0
318.06934	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	317.1017
Annotation	Unknow
Peak:m/z	Relative Intensity
55.29694	0.4
62.25428	0.3
65.03938	0.4
68.99771	0.5
69.03430	0.4
69.61652	3.0
79.05474	1.2
81.03410	0.5
81.07044	1.1
85.02874	0.6
89.03912	5.2
91.05477	0.7
92.02615	2.5
93.03408	2.0
93.07062	0.5
95.05000	0.5
95.08608	0.6
98.21471	0.7
98.76243	0.4
105.07050	0.7
107.04945	3.8
109.02865	0.7
117.03377	7.9
119.08568	0.4
120.15217	0.4
121.02827	2.0
121.10151	0.3
122.03633	0.4
126.03139	1.0
135.04407	19.4
137.02333	0.7
137.05969	1.4
139.03880	1.5
145.02829	12.5
145.03984	0.6
147.04387	0.4
149.02361	0.4
151.03899	1.3
153.00566	0.8
153.01813	14.4
163.03891	100.0
164.04253	2.3
165.01819	1.5
177.05470	0.5
183.02943	0.4
186.05496	0.6
200.04716	0.6
201.05486	1.4
203.03384	1.0
211.03949	0.4
211.05843	0.4
217.04892	2.4
218.05722	1.3
228.04163	3.0
229.04935	5.7
231.02919	0.6
245.04416	2.6
246.05211	2.7
257.04428	4.2
261.07666	0.9
271.05844	0.5
273.03891	3.2
274.04700	6.4
275.05081	0.5
284.03220	0.6
285.03943	7.3
286.04306	0.8
302.04187	19.1
303.04480	1.5
317.06540	97.9
318.06912	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1745
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	0.4
60.34103	0.3
63.26123	0.3
65.03933	0.8
67.05489	0.9
69.07061	0.8
69.29762	3.9
70.70457	0.3
74.58434	0.3
79.05479	1.3
81.07037	0.5
81.85769	0.3
88.07622	0.8
91.05475	11.6
92.54228	0.3
93.06467	0.6
93.07040	10.6
95.04964	0.4
95.08598	1.5
105.07005	0.5
107.08591	13.8
108.08897	0.5
109.10155	0.7
119.04940	26.4
120.05269	0.6
135.11687	14.4
136.12036	0.5
147.04405	100.0
148.04745	3.4
149.04904	0.3
153.12747	2.8
165.05481	1.4
186.04593	0.3
271.28281	0.6
299.16397	1.8
317.17514	1.1
317.28897	1.6
317.32047	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0656
Annotation	Unknow
Peak:m/z	Relative Intensity
55.65558	0.2
65.03947	0.5
67.83211	0.2
68.75938	0.2
68.99781	0.4
69.42400	0.2
69.52264	1.7
72.64891	0.2
75.12791	0.2
77.37685	0.2
79.05478	0.3
81.07072	0.2
89.03916	0.9
92.02624	2.1
93.03403	2.0
93.07058	0.2
95.04935	0.2
98.21477	0.4
107.04955	2.7
109.02905	0.3
111.00787	0.3
116.68446	0.2
117.03394	1.2
120.02012	0.2
121.02895	1.5
123.63824	0.2
126.03144	0.8
135.04436	2.7
135.98656	0.2
137.02383	0.3
137.05945	0.5
139.03915	0.8
145.02843	1.9
151.03905	0.9
151.94055	0.2
153.01833	13.2
163.03914	15.1
165.01837	0.7
173.05948	0.4
176.04677	0.3
183.02843	0.4
187.03841	0.2
192.04170	0.3
193.04961	0.2
200.04695	0.6
201.05403	1.2
203.03360	1.2
204.04263	0.2
211.06129	0.3
217.04967	2.3
218.05737	1.0
219.02974	0.4
228.04163	2.2
229.04982	6.3
231.02779	0.9
239.03288	0.3
243.06587	0.3
245.04494	2.5
246.05193	2.6
256.03723	0.3
257.04471	3.5
258.05032	0.2
260.03238	0.5
261.07602	0.5
273.03931	2.9
274.04727	5.9
275.05167	0.2
284.03107	0.5
285.03940	6.0
286.04358	0.4
287.01825	0.3
288.06366	0.4
301.03342	0.4
302.04230	19.0
303.04550	0.6
317.06570	100.0
318.06900	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	317.0656
Annotation	Isorhamnetin
Peak:m/z	Relative Intensity
65.03931	0.6
67.05477	0.2
68.99792	0.4
69.07056	0.3
69.94383	0.6
69.94798	0.3
79.05459	0.2
81.03431	0.2
81.07035	0.8
83.08607	0.2
91.05486	0.2
92.02624	2.4
93.03395	2.3
93.07036	0.4
94.04161	0.3
95.08597	0.6
98.97564	0.3
105.07039	0.2
107.04956	0.3
109.02905	0.3
109.10143	0.3
111.00800	0.5
116.98656	0.3
119.04858	0.3
120.05285	0.2
121.02878	1.9
121.06599	0.2
122.03691	0.3
123.04432	0.2
126.03121	1.0
133.02827	0.2
134.99728	0.2
137.02336	0.5
137.05981	0.4
139.03882	1.6
147.04411	0.8
148.04773	0.4
150.03088	0.3
151.03867	1.1
153.01820	14.0
155.04919	0.2
163.03894	0.4
165.01843	1.1
166.02547	0.2
172.54468	0.2
173.05980	0.4
177.00702	0.5
177.05505	0.4
179.03448	0.3
183.02875	0.4
187.03906	0.2
189.05678	0.2
191.02252	0.3
200.04724	0.6
201.05441	1.3
203.03343	1.2
204.04115	0.4
205.04985	0.3
217.04935	2.4
218.05743	1.1
218.07584	0.2
219.02881	0.5
228.04140	2.9
229.04947	6.2
231.02858	0.7
244.99840	0.4
245.04425	3.2
246.05246	2.9
256.03635	0.3
257.04449	4.1
260.03149	0.6
261.07669	0.4
271.06046	0.4
273.03937	3.1
274.04718	6.1
284.03247	0.6
285.03918	6.6
286.04462	0.2
301.03506	0.5
302.04199	19.0
303.04453	0.2
317.06543	100.0
318.06976	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0655
Annotation	Isorhamnetin
Peak:m/z	Relative Intensity
53.03922	0.2
55.05494	0.3
56.96549	0.3
57.03445	0.3
58.11750	0.2
65.03928	0.7
67.05486	0.8
68.99789	0.4
69.03415	0.8
69.07052	0.7
71.59809	0.2
79.05501	0.7
81.03403	0.9
81.06573	0.4
81.07054	7.0
85.02910	1.9
89.05007	0.2
91.05465	0.9
92.02623	2.0
93.03399	2.0
93.07040	1.3
95.04958	0.4
95.08604	1.1
97.02863	0.3
97.06522	0.6
99.04452	0.2
103.05433	0.3
105.07015	1.1
107.04919	0.5
107.08604	1.5
109.02873	1.0
109.06514	0.4
109.10150	1.5
111.00824	0.3
111.04457	0.3
115.05377	0.2
116.03967	0.2
116.98641	0.4
117.07011	0.2
119.04935	0.5
119.08582	0.6
121.02865	1.5
121.06491	0.4
121.10142	0.7
123.11668	0.2
124.93224	0.2
126.03141	0.9
127.03888	0.6
131.08553	0.6
133.10126	0.8
135.04358	0.3
135.11703	0.8
137.02370	0.6
137.05968	0.7
137.13252	2.4
139.03874	1.0
143.08568	0.2
145.04971	0.5
145.06467	0.3
147.04404	1.6
147.11664	0.7
149.04820	0.3
151.03938	1.3
153.01830	12.3
153.09145	0.3
159.39206	0.2
163.03908	2.3
163.06039	0.5
165.01845	0.9
165.05502	0.3
165.09157	0.2
173.05974	0.5
177.05492	0.4
187.03931	0.4
191.03270	0.2
194.02122	0.3
200.04723	0.5
201.05511	1.6
203.03380	1.0
211.03700	0.2
217.04944	2.5
218.05673	0.9
219.02950	0.4
228.04137	2.7
229.04959	5.5
231.02879	0.6
233.04413	0.3
236.11664	0.2
243.06569	0.5
245.04472	2.8
246.05191	2.3
256.03827	0.3
257.04480	3.5
260.03058	0.4
261.07465	0.4
271.06003	0.3
273.03958	2.9
274.04709	9.5
284.03201	0.5
285.03912	5.9
299.09030	0.3
301.03271	0.3
302.04221	21.5
303.04816	0.5
317.06558	100.0
317.21008	1.0
318.06927	2.3
339.07486	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0654
Annotation	Isorhamnetin
Peak:m/z	Relative Intensity
65.03934	0.6
67.01871	0.1
68.99784	0.4
69.31538	0.9
69.31901	0.1
85.04776	0.1
90.09255	0.1
91.05461	0.1
92.02620	2.4
93.03398	2.4
94.04161	0.1
95.04930	0.1
105.03395	0.1
109.02863	0.3
111.00798	0.3
120.02095	0.1
121.02865	1.6
122.03648	0.2
124.01577	0.1
126.03157	0.6
131.04910	0.1
133.02812	0.1
134.03632	0.1
137.02328	0.4
139.03894	1.5
145.06482	0.2
147.04410	0.2
149.02351	0.2
150.03114	0.2
151.03893	1.2
151.05081	0.1
151.07597	0.1
152.00963	0.1
153.01817	14.2
154.02162	0.2
155.04880	0.3
161.05989	0.1
163.03886	0.5
163.55333	0.1
165.01816	1.1
165.05533	0.1
166.02553	0.3
170.02167	0.2
173.05971	0.3
176.04631	0.2
177.05548	0.5
179.03349	0.2
181.46638	0.1
183.02884	0.3
183.04417	0.3
187.03897	0.2
189.05450	0.2
190.06230	0.2
191.03410	0.1
192.04192	0.2
193.01338	0.1
200.04655	0.7
201.05457	1.4
203.03366	1.2
204.04147	0.2
211.04010	0.1
217.04945	2.2
218.05775	1.2
219.02869	0.5
228.04144	3.1
229.04941	6.1
230.05443	0.1
231.02853	1.1
232.03693	0.2
233.04623	0.1
239.03441	0.2
243.06517	0.2
245.04440	3.1
246.05231	3.4
247.05545	0.1
256.03674	0.6
257.04434	4.2
258.05121	0.2
260.03226	0.6
261.07480	0.5
267.02847	0.1
271.05951	0.3
273.03931	3.0
274.04703	6.1
275.05090	0.1
284.03162	0.8
285.03922	7.5
286.04526	0.3
287.01828	0.2
287.77899	0.1
288.06235	0.3
299.05487	0.2
301.03412	0.4
302.04193	20.2
303.04459	0.5
317.06534	100.0
318.06876	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	317.0654
Annotation	Unknow
Peak:m/z	Relative Intensity
58.35519	0.1
65.03924	0.6
65.38499	0.1
68.99763	0.6
70.94653	0.4
71.13490	0.1
81.03419	0.1
90.00198	0.1
91.05484	0.3
92.02616	3.3
93.03398	2.7
94.04176	0.2
95.04908	0.1
107.04919	0.1
109.02858	0.3
111.00792	0.3
119.04926	0.1
121.02858	2.1
122.03674	0.3
123.04401	0.2
126.03143	1.1
131.04924	0.2
133.02843	0.1
135.04509	0.1
137.02359	0.6
137.05919	0.3
139.03885	1.7
142.94307	0.1
147.04396	0.3
149.02293	0.2
150.03149	0.2
151.03911	1.7
152.01047	0.2
153.01816	17.8
154.02151	0.2
155.04887	0.2
163.03897	0.5
165.01834	1.1
166.02579	0.3
170.02051	0.2
173.05978	0.4
176.04701	0.2
177.05499	0.4
183.02968	0.3
183.04445	0.2
187.03868	0.4
190.06293	0.3
192.04196	0.2
200.04662	0.5
201.05460	1.6
203.03380	1.8
204.04176	0.3
217.04959	3.0
218.05707	1.5
219.02875	0.4
228.04153	3.8
229.04947	7.5
230.05586	0.1
231.02849	1.0
232.03662	0.2
243.06604	0.2
244.29495	0.1
245.04439	3.2
246.05226	3.6
247.02275	0.2
256.03714	0.6
257.04422	4.4
258.04834	0.2
260.03189	0.7
261.03738	0.2
261.07568	0.5
271.06104	0.6
273.03928	3.5
274.01636	0.2
274.04715	7.6
284.03024	0.9
285.03925	8.2
286.04565	0.4
287.01944	0.4
288.06418	0.4
290.92142	0.2
301.03409	0.4
302.04193	23.3
303.04538	0.6
317.06534	100.0
318.06924	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.2844
Annotation	Halisphingosine A
Peak:m/z	Relative Intensity
54.50628	0.3
55.01871	0.8
55.05514	5.2
56.05033	4.1
57.03431	0.5
57.07078	1.7
58.02953	0.4
59.05002	0.5
59.39083	0.4
60.04524	100.0
61.04847	0.6
65.03923	0.5
67.05501	8.1
68.05031	0.4
69.07069	5.1
69.97279	1.8
70.06575	0.8
71.05006	0.5
71.08633	0.5
72.04527	1.3
74.06081	2.3
77.00812	0.4
79.05489	3.4
80.05017	0.8
81.07054	7.3
82.06584	1.3
83.04956	0.4
83.08612	3.5
84.08129	0.4
86.06068	0.5
90.05555	1.4
91.05465	3.3
93.07034	4.3
94.06556	0.9
94.55727	0.4
95.04973	0.8
95.08607	8.1
96.08144	0.9
97.10167	1.4
98.06046	0.4
100.07588	0.5
103.43875	0.4
105.07041	1.5
107.08600	3.1
108.08937	0.6
109.06489	0.5
109.10161	4.4
111.11740	0.6
112.07594	0.7
114.07877	0.4
119.04955	2.4
119.08601	1.0
121.10148	1.6
122.09692	0.6
123.11699	1.2
133.10127	1.4
135.11726	1.9
137.13240	0.5
147.04408	12.8
147.05513	0.8
148.04755	2.3
153.11693	0.5
153.12704	2.1
156.87450	0.4
165.05544	0.9
233.22694	0.6
245.22752	0.5
250.25346	1.1
251.23520	0.4
262.25250	1.6
263.23672	0.5
268.26459	0.8
280.26340	10.8
298.27377	13.1
299.27591	0.7
313.84546	0.4
316.28448	53.5
317.28806	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	316.2845
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52681	0.3
55.01886	0.6
55.05515	4.4
56.05038	4.2
57.03441	1.0
57.07074	2.1
58.02957	0.6
59.04998	0.7
60.04527	100.0
61.13116	0.3
65.03951	0.5
67.05507	9.5
68.05043	0.4
68.31245	0.3
69.07068	5.6
69.07407	0.5
69.43394	1.1
69.43814	2.1
70.06571	0.8
71.08625	0.7
72.04520	1.4
74.06078	2.0
79.05488	3.7
80.05018	0.8
81.07060	9.0
81.07521	0.7
82.06566	2.0
82.07359	0.3
83.04977	0.4
83.08621	3.4
85.10211	0.4
86.06071	0.7
87.04476	0.6
88.07619	0.3
90.05573	1.6
91.05477	4.2
92.05853	0.4
93.07053	4.3
94.06588	1.2
94.07391	0.4
95.04982	1.0
95.07374	0.4
95.08611	7.7
96.08160	0.4
97.06544	0.6
97.10173	1.9
98.06020	0.5
100.07578	0.5
105.07043	1.6
107.08595	4.8
109.06496	0.6
109.10158	6.3
112.07604	0.8
116.07056	0.4
119.04934	4.4
119.08604	1.2
121.10139	1.9
123.11716	0.5
133.10130	1.1
134.10478	0.4
134.28490	0.4
135.11696	3.6
136.12022	0.5
147.04416	21.3
147.11710	0.5
148.04744	2.9
153.12749	6.0
163.04015	0.5
163.48575	0.3
164.04352	0.5
165.05528	1.4
166.05798	0.4
170.19208	0.4
201.17245	0.3
202.36719	0.4
245.22789	0.5
250.25360	1.6
262.25308	1.6
266.34738	0.4
268.26508	0.5
280.26370	12.0
281.26700	0.5
298.27408	13.2
299.27634	0.7
316.28470	57.5
317.28748	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	317.0653
Annotation	Isorhamnetin
Peak:m/z	Relative Intensity
50.47559	0.2
54.25184	0.2
55.76278	0.2
56.26279	0.3
65.03924	0.5
68.99782	0.3
69.30288	0.8
69.30691	1.8
92.02612	2.8
93.03405	2.0
100.05708	0.2
105.03291	0.3
111.00766	0.3
112.54648	0.2
121.02853	2.0
126.03095	0.7
137.02335	0.4
139.03889	1.3
148.46323	0.3
149.83344	0.2
151.03912	0.9
152.01003	0.3
153.01820	14.7
163.03880	0.5
165.01840	0.8
177.05498	0.3
179.03421	0.4
183.04318	0.2
187.03809	0.3
190.06163	0.3
190.23561	0.3
192.04201	0.3
200.04642	0.4
201.05502	1.5
203.03307	1.2
205.35953	0.2
217.04965	2.0
218.05748	1.4
219.02672	0.3
228.04164	2.8
229.04941	6.2
230.05376	0.3
231.02879	0.9
243.06398	0.3
245.04462	3.1
246.05209	2.4
256.03952	0.4
257.04407	3.5
258.05090	0.3
260.03262	0.5
273.03970	2.9
274.04703	5.6
284.03162	1.1
285.03922	5.6
286.04440	0.3
287.02014	0.5
299.44470	0.2
302.04202	16.8
303.04620	0.7
317.06546	100.0
318.06870	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	315.1801
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	12.7
55.05503	12.6
57.03434	12.3
61.02912	13.6
65.03940	7.1
67.05513	20.5
69.03426	28.2
69.07075	8.8
71.01334	6.6
71.04995	12.3
71.59265	5.9
71.59689	8.3
73.02913	12.7
79.05491	27.2
81.03423	21.9
81.07053	50.7
83.04972	30.0
83.08632	4.0
85.02902	59.1
85.06534	8.8
90.95219	5.8
91.05473	41.9
93.07043	91.5
95.04956	41.1
95.08617	12.3
97.02900	27.7
97.06549	16.4
98.97533	6.8
99.04431	8.1
103.03946	21.9
103.05528	7.6
105.07038	67.7
107.04957	38.0
107.08594	55.7
109.02882	19.2
109.06531	28.5
109.10155	12.2
111.04435	7.0
111.08089	6.6
115.03967	6.4
115.05486	9.6
117.07014	14.9
119.04950	14.5
119.08575	56.7
121.02936	7.0
121.06508	53.1
121.10147	35.6
122.06842	10.0
123.04434	11.8
123.08033	5.2
125.06010	10.1
127.03908	11.7
128.06261	5.0
129.05469	4.8
129.06989	10.0
130.07764	6.9
131.04930	10.8
131.08571	19.5
133.06488	6.3
133.10138	19.0
135.04425	5.3
135.08064	6.8
135.11691	42.1
137.05989	11.7
138.30707	3.7
139.07576	4.8
141.06979	8.3
142.07759	14.7
143.08569	23.3
144.09317	6.6
145.04921	7.5
145.06454	7.7
145.10127	100.0
147.04413	62.0
147.08032	5.7
147.11670	50.8
147.50981	4.8
149.05948	6.6
149.13271	18.4
151.07524	28.3
151.11150	6.8
152.06145	4.9
155.08595	9.2
157.06436	6.1
157.10153	30.8
159.07957	4.4
159.11694	56.2
160.05089	4.8
161.05995	24.2
161.09691	5.6
161.13344	8.2
163.03935	14.8
163.07516	4.8
163.11238	10.6
165.07034	8.2
165.12732	7.1
167.07074	8.8
167.08540	9.8
168.09325	5.2
169.08583	11.4
169.10123	13.6
171.07990	8.0
171.11710	14.2
173.09732	9.1
175.03902	9.3
175.11168	12.0
176.04657	5.3
177.05386	5.6
177.07013	6.9
177.12744	7.6
181.06467	6.6
181.12204	6.6
183.11668	12.9
185.08182	9.2
189.12775	8.6
190.09344	4.9
194.07263	9.8
195.08080	17.0
197.05975	5.2
197.13289	12.0
199.07536	7.1
201.12802	11.8
205.06540	14.9
207.11772	5.6
208.05151	5.3
213.12766	10.3
218.31595	3.9
219.13789	7.9
222.06773	6.2
223.07520	38.0
224.08282	6.7
231.13824	23.0
240.07759	10.5
241.08589	6.5
243.13846	12.7
251.07016	25.9
255.10216	10.6
260.03140	4.4
261.14877	14.6
265.08597	5.9
269.08044	73.2
279.06641	11.0
279.15836	16.1
283.09625	39.1
284.10330	5.6
297.07581	87.8
297.10864	6.9
297.17026	5.8
298.07816	9.6
298.15286	14.2
301.98544	4.5
315.05103	6.8
315.08572	14.7
315.12405	46.0
315.18066	14.6
334.79034	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	315.1801
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	6.2
55.01862	10.5
55.05515	6.8
57.03424	12.3
58.49631	4.1
60.36532	3.5
60.60055	3.6
61.02924	9.3
67.05499	20.8
69.03431	21.3
69.07059	7.2
71.01355	5.5
71.04990	8.6
71.19069	9.8
73.02904	11.4
79.05488	23.7
81.03429	21.1
81.07059	38.6
83.04971	25.5
85.02902	52.7
85.06514	8.6
91.05473	33.5
93.07040	70.8
95.04967	29.5
95.08597	13.8
97.02877	27.1
97.06512	18.8
98.09436	3.3
99.04454	5.4
99.92839	3.4
103.03912	22.0
103.05445	4.8
105.06386	5.7
105.07031	60.3
107.04939	44.6
107.08591	53.0
109.02880	9.2
109.06501	21.3
109.10159	10.8
111.04458	8.4
111.08076	6.8
114.50894	3.9
115.03908	6.3
115.05450	6.5
115.31024	4.0
117.07014	16.6
119.04949	10.9
119.08570	43.3
121.02866	6.9
121.06499	44.9
121.10148	43.3
122.06863	5.2
123.04427	13.0
125.05994	16.9
126.85114	3.7
127.03912	11.6
129.07083	4.1
130.07779	3.8
131.04933	7.3
131.08553	12.7
133.04900	4.5
133.06476	6.6
133.10109	14.3
135.04366	5.4
135.08035	9.8
135.11713	47.1
137.05951	9.9
137.09624	9.9
139.07500	4.3
142.07771	15.4
143.08546	15.9
145.04965	11.5
145.06468	5.3
145.10115	100.0
147.04402	38.4
147.08005	7.9
147.11676	48.7
149.05916	5.1
149.13272	21.4
151.03906	4.1
151.07530	26.6
151.11081	5.1
155.08510	9.3
156.09334	5.2
157.10081	23.4
159.08072	11.3
159.11674	47.7
161.05952	17.8
161.09647	6.8
161.13277	7.7
163.03888	10.0
163.06020	4.1
163.11154	9.9
165.06990	6.8
165.12727	6.3
167.07004	11.4
167.08543	5.7
169.08749	6.4
169.10051	19.0
171.11731	7.9
173.09601	7.2
173.13252	6.9
175.03925	10.9
175.07480	4.7
175.11211	13.7
177.06944	7.0
177.12714	10.5
181.06458	5.3
181.12276	5.8
183.11703	12.6
189.12724	7.5
190.09421	4.7
193.03711	4.0
195.08029	11.5
195.11638	4.0
197.13278	12.2
201.12744	14.0
205.06564	8.9
207.13501	5.1
213.12704	11.1
219.13765	5.5
222.06744	4.3
223.07581	20.1
224.07996	4.6
225.12772	8.0
231.13799	15.8
233.05988	3.8
241.08551	10.8
243.13834	10.8
251.07024	16.8
255.10173	10.9
261.14862	22.9
265.08817	4.4
269.08102	57.0
279.06516	9.8
279.15930	15.6
283.09735	23.6
297.07574	80.5
297.10959	7.6
297.16956	4.3
297.94278	3.9
298.07925	5.1
298.15240	6.7
315.05029	6.8
315.08569	12.1
315.12366	28.2
315.18045	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	316.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.7
55.05503	5.8
56.96564	1.9
57.03432	2.9
59.05008	2.3
61.02930	6.0
69.03428	6.8
69.80939	5.2
71.04995	11.9
73.02921	4.3
73.06547	1.1
81.03430	3.2
83.04977	19.7
85.02906	26.1
91.03970	2.4
91.05480	1.5
93.07040	1.1
95.04982	1.3
97.02886	7.8
98.97598	2.2
99.04465	1.9
101.06019	100.0
102.06308	1.2
109.02895	2.1
109.58121	0.8
111.04375	0.9
115.03910	1.4
116.98647	1.0
119.01927	1.5
119.07072	1.6
121.06515	3.7
124.03948	2.0
127.03905	6.3
137.05966	3.3
137.07098	1.6
137.08095	17.1
139.85678	0.8
143.00177	1.1
145.04964	14.9
146.99634	0.9
147.04381	1.0
154.05061	1.5
154.06143	3.8
154.08644	1.1
158.99724	0.9
163.03966	3.2
163.06012	1.9
180.08659	6.0
187.04518	1.7
190.09174	1.2
203.07115	1.0
211.04572	1.0
216.09879	1.0
219.56856	1.2
224.56197	0.8
235.35559	0.9
237.02687	1.2
251.06828	1.9
275.06146	2.7
306.69205	0.9
310.30069	0.8
316.13538	1.2
317.03189	1.2
317.09109	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	315.1801
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	1.3
55.01875	1.8
55.05519	1.0
57.03433	4.1
58.06574	1.2
59.05003	1.1
61.02909	1.7
67.01831	0.8
67.05505	3.9
67.87122	0.8
69.03416	5.9
69.07049	2.6
70.09286	3.5
71.01323	1.0
71.04987	1.7
73.02895	2.8
75.04474	1.1
79.05482	3.8
81.03416	2.5
81.07056	29.0
83.04977	2.9
85.02422	1.5
85.02901	20.5
87.04451	1.8
91.05476	10.5
91.12634	0.9
93.07038	100.0
94.07374	2.1
95.04971	4.5
95.08603	16.2
97.02903	4.2
99.04424	1.9
100.44475	0.8
101.06039	1.2
103.03951	2.9
105.07027	10.0
107.04961	2.3
107.08590	9.4
109.02885	1.7
109.06534	1.3
109.10131	3.4
111.04441	3.1
115.05469	1.5
117.07019	2.2
119.04955	1.3
119.08583	7.3
121.10138	2.4
121.90678	1.0
123.04409	2.2
123.08076	0.9
125.09605	1.4
127.03900	6.4
128.06232	2.2
129.05473	3.6
129.06996	1.7
131.08574	7.9
133.04971	1.0
133.10118	3.3
135.04462	0.9
135.08043	1.3
135.11667	11.8
137.05984	1.5
137.09590	1.8
137.13258	4.9
141.06941	0.9
142.07761	1.8
143.08551	8.9
145.04939	4.2
145.10146	2.7
147.04411	1.3
147.06468	6.0
147.08046	1.9
147.11700	3.0
149.09602	2.3
153.12804	1.4
155.08583	1.4
157.10138	3.0
159.08089	1.8
159.11697	1.3
161.05980	1.9
161.09592	4.0
163.03918	1.1
163.06079	4.0
163.11182	1.4
165.12784	1.7
167.08583	3.4
173.09622	1.4
175.11197	2.3
177.05429	1.0
177.06918	1.5
177.12737	1.3
179.10641	2.0
185.09590	1.6
187.03902	1.1
191.10619	1.2
195.07970	1.3
203.10684	3.7
205.06511	2.5
207.13849	0.8
221.11667	8.4
223.07498	3.9
239.12775	11.3
243.13776	0.9
251.07039	5.0
257.13773	1.7
261.15051	1.0
268.59912	1.0
269.08047	5.6
279.06519	2.4
279.15967	2.6
283.09518	1.3
297.07584	4.1
297.16821	2.2
299.11053	1.4
315.08475	2.6
315.13684	4.3
315.17969	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	315.1801
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.3
55.01863	1.6
57.03423	3.5
59.05006	1.0
61.02912	2.9
67.05488	2.8
69.03429	7.1
69.07069	1.7
70.68571	2.4
71.01330	0.8
71.05011	1.2
73.02903	3.3
78.72233	0.7
79.05486	3.9
81.03421	2.3
81.06575	1.3
81.07055	19.9
82.11168	0.8
83.04981	1.6
85.02425	1.4
85.02904	19.4
87.04462	2.2
91.05476	11.8
93.07042	100.0
94.07350	2.0
95.04957	4.0
95.08603	12.1
97.02880	4.5
99.04468	2.9
101.02373	0.8
103.03940	2.6
105.07032	10.5
107.04926	1.8
107.08594	9.7
109.02872	2.4
109.06512	1.6
109.10167	2.5
111.04441	3.1
115.03962	1.2
115.05494	1.9
117.07078	1.2
119.08596	5.7
121.06516	0.7
121.10125	2.1
123.04426	2.3
127.03898	6.3
128.06219	1.2
129.05479	3.4
129.07005	2.4
131.08563	7.2
133.04968	0.9
133.10120	3.3
135.08054	2.5
135.11699	12.5
137.09613	0.9
137.13255	3.5
141.07062	0.8
142.07788	1.6
143.01793	0.8
143.08551	8.4
145.04959	6.5
145.06444	0.9
145.10123	3.1
147.04437	1.6
147.06514	5.8
147.08031	1.9
147.11676	3.4
149.09613	2.3
153.12808	1.0
155.08499	0.9
157.10144	4.3
159.08243	1.4
159.11676	1.7
160.05138	1.2
161.05995	2.1
161.09593	4.5
163.03926	1.0
163.06023	2.2
163.11212	1.4
165.12749	2.3
167.08565	3.6
171.11656	0.9
173.09647	1.3
175.11241	1.9
177.05563	1.2
177.07066	1.0
177.12764	1.7
179.10655	1.7
185.09589	2.0
187.11243	1.0
191.10678	1.3
195.08018	0.9
203.09019	0.9
203.10699	3.2
205.06494	2.5
221.11739	7.5
223.07512	4.4
239.12781	9.9
251.07022	5.1
257.13901	2.3
261.14792	1.6
265.08670	0.8
269.08099	5.2
279.06567	1.9
279.15964	1.4
287.09167	1.0
297.07574	3.3
297.16959	1.7
315.08292	2.3
315.13589	2.4
315.18063	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	315.1802
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	9.6
55.05502	8.5
55.88607	3.0
57.03427	9.3
61.02915	8.1
67.05492	11.5
69.03416	25.8
69.07047	6.0
70.65721	8.7
71.01351	3.9
71.04988	8.1
73.02904	11.0
75.50674	2.7
79.05489	19.3
81.03419	17.9
81.07056	36.6
83.04974	23.1
85.02901	52.5
85.06528	7.2
91.05482	30.8
93.06474	5.8
93.07041	76.9
95.04967	33.4
95.08607	14.3
96.05301	2.6
97.02895	19.5
97.06538	17.2
99.04440	7.7
103.03928	22.2
103.05423	6.4
105.07027	50.2
107.04950	40.2
107.08591	37.4
109.02858	8.0
109.06532	25.8
109.10168	7.7
111.04415	5.7
111.08080	6.6
113.02380	3.2
113.25148	2.8
115.03902	4.5
115.05391	3.1
117.07019	11.6
119.04952	7.6
119.08576	43.5
121.02875	7.5
121.06510	39.9
121.10150	34.9
122.06837	7.7
123.04420	11.2
123.08101	6.5
125.05992	12.8
126.91403	2.7
127.03921	6.2
128.06232	4.0
129.06967	8.1
130.07797	4.6
131.04913	8.3
131.08534	18.4
133.05011	2.9
133.06429	4.1
133.10129	17.2
135.04385	3.3
135.08047	6.5
135.11679	30.8
136.12050	3.1
137.05983	10.0
137.09598	5.6
139.07553	3.5
141.05440	3.3
142.07745	9.4
143.08575	17.7
144.09338	4.4
145.04944	8.5
145.06477	6.0
145.10117	100.0
146.10500	3.6
147.04398	34.4
147.08054	7.9
147.11676	47.5
149.05939	5.7
149.13257	14.4
151.07532	26.6
151.11232	4.6
152.08000	3.6
155.08554	12.2
156.09364	4.9
157.10141	30.2
159.08043	6.4
159.11693	50.8
161.05998	13.1
161.09624	4.9
161.13242	7.2
163.05910	3.1
163.11188	10.8
165.06941	4.3
165.12727	6.1
166.07704	3.0
167.07053	7.6
167.08528	4.9
168.09334	4.4
169.08575	8.1
169.10162	9.7
171.08034	6.0
171.11705	9.5
173.09595	3.9
175.03914	8.3
175.07573	3.5
175.11166	10.4
176.04695	5.2
177.06895	7.1
177.12762	8.0
181.09947	3.2
183.11719	13.8
185.08105	4.4
187.11205	3.4
189.09119	3.7
189.12764	5.0
192.09245	3.7
195.07996	16.6
195.11740	3.6
197.13272	4.2
199.07545	5.9
201.12695	10.5
203.08931	3.7
205.06543	6.6
207.11632	3.4
208.05176	6.2
209.06047	3.3
213.09128	4.2
213.12688	5.6
219.13809	8.6
221.06078	3.0
223.07538	22.5
225.12738	6.0
226.06285	2.9
231.13681	14.7
233.05898	5.4
237.87480	2.9
240.07732	6.8
241.08495	11.5
243.13757	7.6
251.06946	14.5
252.07545	3.5
255.10240	9.4
261.14914	18.3
265.08615	6.3
269.08072	73.8
270.08585	7.2
279.06549	9.7
279.15988	14.6
283.09637	23.1
284.10321	4.7
297.07590	77.5
297.16809	4.4
298.07919	8.4
298.11560	3.4
298.15079	7.8
299.11121	3.5
315.05194	5.0
315.08566	12.8
315.12393	22.9
315.18002	10.7
316.12344	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	315.1799
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	5.3
55.01860	17.1
55.05507	49.8
57.03432	28.7
57.71867	4.5
59.04983	5.3
60.29699	4.0
61.02905	15.9
67.05480	10.4
67.11412	3.9
69.03434	34.6
69.07057	18.9
70.76778	5.1
70.77113	11.9
71.01343	8.2
71.04987	70.6
73.02902	20.2
79.05500	23.1
81.03406	19.4
81.07061	32.7
82.55723	3.9
83.04943	6.6
83.08595	5.5
85.02903	72.3
87.04448	4.3
91.05471	40.0
93.07034	72.8
95.04953	16.5
95.08623	27.4
97.02883	19.9
103.03934	18.3
105.07024	76.2
107.04885	4.5
107.08588	87.7
109.02891	5.7
109.06517	33.7
109.10155	8.9
111.08078	8.0
115.03918	18.8
117.07015	25.5
119.08575	64.3
121.06539	13.2
121.10140	13.7
123.04473	5.4
123.08068	26.8
125.13226	4.4
127.03910	12.0
128.06165	5.2
129.05476	7.5
129.06985	8.0
130.07759	5.6
131.08572	38.1
133.04962	32.7
133.06461	10.7
133.10124	7.3
135.08063	6.7
135.11684	39.2
137.09607	15.0
143.08542	18.0
145.06424	5.4
145.10109	35.0
147.08022	44.8
147.11665	15.2
149.09592	19.8
151.07590	6.6
151.11169	16.8
153.12750	19.2
155.08530	9.2
159.08075	9.8
159.11681	13.6
161.09662	5.9
161.13301	5.9
163.07603	4.3
163.11163	20.8
165.12737	100.0
171.11745	7.0
173.09624	31.5
173.13248	19.0
175.07614	9.5
177.12775	26.5
179.14493	4.4
183.11719	6.6
187.11253	5.2
189.12715	19.4
191.10634	15.5
195.13759	5.8
201.12784	6.6
207.13747	10.0
219.13739	20.8
231.13765	12.4
243.13821	12.8
248.64250	4.5
261.14886	24.4
272.47760	4.7
279.15900	14.6
280.16019	4.3
297.16937	18.9
299.10928	7.0
315.14114	20.8
315.17990	28.4
320.64890	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	315.1802
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.0
55.01870	18.2
55.05509	38.1
57.03434	30.5
57.07067	3.3
59.04993	5.6
61.02926	16.2
63.69142	2.0
65.03943	3.1
67.05515	12.5
67.48839	2.4
69.03426	35.0
69.07072	20.1
69.95123	10.7
71.01353	9.7
71.04990	64.5
73.02914	24.1
79.05488	20.7
81.03426	14.1
81.07052	37.4
83.04964	11.7
85.02904	64.8
85.03421	3.1
85.06525	4.0
87.04472	6.5
91.05479	34.0
92.51011	2.0
93.06468	4.5
93.07035	67.6
95.04965	17.6
95.08604	22.5
97.02890	22.0
97.06524	8.0
98.97595	2.5
99.04436	5.1
103.03953	15.1
103.05476	2.1
104.91819	2.6
105.07022	58.2
107.04961	11.6
107.08592	71.7
109.02864	6.9
109.06518	36.7
109.10162	20.0
111.03696	2.3
111.04396	5.0
111.08067	9.5
115.03928	18.5
115.05457	4.9
117.07018	16.7
119.04898	3.8
119.07796	4.6
119.08579	60.2
121.06492	15.0
121.10142	14.5
123.04396	6.5
123.08066	20.3
123.11707	2.7
125.09618	2.8
125.13271	2.9
127.03906	8.8
127.11168	9.1
128.06177	4.9
129.05463	5.7
129.07004	7.5
130.07817	2.8
131.04935	3.3
131.08563	29.8
133.04958	31.2
133.06470	11.4
133.10127	9.1
135.04449	3.8
135.08047	10.6
135.11688	32.4
137.09608	11.0
137.13187	3.8
138.45551	2.2
142.07756	3.8
143.04948	3.3
143.08557	18.5
145.04959	2.9
145.06488	7.3
145.10121	29.0
147.04367	5.5
147.08041	27.8
147.11668	13.2
149.09587	11.8
149.13225	4.3
151.07545	5.4
151.11165	18.1
153.12762	20.4
154.04916	2.7
155.08569	7.9
156.09200	2.5
157.06474	3.0
157.10143	3.4
158.07315	2.9
159.08064	11.5
159.11613	12.9
160.05197	3.0
161.09637	7.3
161.13240	6.3
163.11180	14.4
165.09123	2.6
165.12747	100.0
171.08029	8.0
171.11615	6.8
173.09599	23.3
173.13242	11.6
175.07532	7.6
175.11156	4.3
177.12744	27.0
179.10701	2.6
179.14319	2.9
183.08015	4.0
183.11646	5.1
183.13734	2.3
187.11191	5.6
189.12709	18.2
191.10628	7.5
191.14308	2.9
193.08597	2.8
195.13834	8.9
201.09048	3.1
201.12810	7.1
203.14404	3.4
205.06514	4.4
207.13776	12.2
209.11589	3.5
209.53679	3.0
210.02951	2.7
211.09688	3.7
213.12625	3.7
219.13800	17.4
223.07471	6.6
231.13774	9.7
241.08551	2.8
243.13731	8.9
251.07082	4.8
261.14841	24.7
269.08112	9.2
279.06476	5.2
279.15955	17.9
283.09628	4.2
297.07635	11.0
297.16904	18.6
299.10995	7.8
300.11783	6.5
315.08557	4.3
315.14130	17.4
315.18027	27.6
316.15234	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	315.159
Annotation	Unknow
Peak:m/z	Relative Intensity
57.33722	0.2
57.49154	0.2
65.03926	0.5
65.71349	0.2
67.05513	0.5
70.24420	1.2
73.61494	0.2
73.69798	0.2
75.29189	0.2
76.62447	0.2
79.05484	0.6
81.07064	2.9
91.05482	5.8
93.07039	0.3
95.08588	0.6
96.68910	0.2
98.20755	0.3
105.07034	0.3
107.08599	1.8
109.06544	0.3
109.10161	5.1
119.04945	18.9
120.05286	0.4
123.11714	3.7
126.53661	0.3
133.10143	0.6
135.11687	0.5
147.04411	100.0
148.04730	2.1
151.11182	2.3
163.03944	0.3
165.05482	0.9
180.97763	0.2
212.73842	0.3
315.15955	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	315.1589
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	1.0
65.03928	1.1
67.05505	5.3
68.83046	0.6
69.40556	3.4
69.40982	2.9
79.05496	11.8
81.07059	4.7
91.05484	22.8
93.07034	1.7
95.04973	2.1
99.45251	0.7
105.07037	11.4
107.08593	6.2
109.06521	3.4
109.10159	25.3
110.10538	0.7
111.33372	0.6
118.07803	1.2
119.04948	20.1
120.05244	0.7
120.54292	0.6
121.10146	11.4
123.11700	3.9
131.08554	0.7
133.10133	35.1
134.10468	1.3
147.04410	100.0
148.04762	2.7
151.11177	9.7
165.05467	6.8
315.15952	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	315.1589
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07055	0.7
61.38189	0.4
65.03928	0.8
66.92792	0.4
67.05505	3.0
71.30528	1.0
79.05488	0.9
81.07050	2.6
91.05476	8.7
93.07027	0.8
105.07032	1.4
107.08595	14.7
109.06525	0.9
109.10157	36.2
110.10470	0.8
119.04945	19.6
120.05284	0.6
123.11711	1.5
131.63748	0.4
133.10133	1.5
147.04410	100.0
148.04744	2.6
151.11180	9.3
165.05446	3.6
173.29182	0.4
190.81772	0.4
201.21281	0.4
315.15881	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1589
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91206	0.3
60.47083	0.3
65.03928	0.6
67.05502	0.8
67.80817	0.3
69.52753	1.3
69.53182	1.6
79.05489	1.1
81.07063	1.7
91.05473	9.8
91.06010	0.7
91.93506	0.3
93.07044	1.1
95.04971	0.3
105.07028	9.3
107.08594	47.5
108.08901	0.8
109.06538	2.0
109.10169	1.2
119.04938	16.5
123.11685	1.2
133.10126	6.3
147.04404	100.0
148.04733	3.6
151.11179	3.9
165.05478	24.3
166.05786	0.8
301.03735	0.3
315.15924	2.5
329.42978	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.159
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.7
57.07100	0.3
57.45599	0.2
59.04987	0.3
59.57220	0.2
65.03943	0.8
67.05503	3.0
69.07048	0.3
70.31179	1.0
74.85031	0.2
79.05495	1.2
81.03416	0.9
81.07057	2.8
88.31342	0.3
91.05479	12.4
93.07037	2.5
95.04969	2.6
95.08620	1.1
105.07034	15.1
106.07380	0.4
107.04948	0.4
107.08593	42.0
108.08912	1.2
109.06512	1.6
109.10168	2.0
119.04940	22.4
120.05223	0.7
121.10145	5.5
123.08061	0.4
123.11706	3.0
131.08543	0.4
133.10132	10.8
134.10461	0.3
147.04407	100.0
148.04718	3.0
151.11182	4.4
161.05997	0.3
165.05484	4.9
192.17317	0.2
223.07408	0.4
223.88017	0.2
224.95158	0.3
245.30862	0.3
269.08020	0.3
283.09601	0.9
297.14713	0.4
315.12329	1.1
315.15851	5.9
316.16031	0.6
335.91028	0.3
337.69443	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1589
Annotation	Karnatakafuran A
Peak:m/z	Relative Intensity
53.03956	1.3
55.01857	2.2
55.05498	3.0
57.07071	11.5
58.24532	1.1
59.04990	2.8
67.05501	6.7
67.87743	1.1
69.07069	2.8
69.37926	7.3
69.38349	3.8
73.84733	1.0
79.05484	3.7
81.07059	10.1
83.08589	1.4
85.06541	32.0
91.05471	5.8
93.07036	15.3
95.04934	1.9
95.08604	26.1
97.06544	2.4
97.10172	1.5
99.08067	2.3
103.05452	5.4
105.07037	4.5
107.04946	1.7
107.08586	20.5
109.06522	1.9
109.10152	12.4
115.05447	3.2
117.07046	1.3
119.04948	2.8
119.08596	1.5
121.06503	2.4
121.10144	3.8
123.08069	4.5
123.11759	2.2
125.09618	26.3
131.04912	8.3
133.06497	2.3
133.10104	2.4
135.11726	1.6
137.09636	2.6
141.07027	2.6
143.04892	1.7
143.08556	1.6
144.05698	1.3
145.06474	5.8
147.04396	9.3
149.05998	4.5
151.11177	5.2
152.06218	4.4
153.07059	1.8
155.08641	1.1
157.06444	6.3
159.04408	8.2
159.08060	2.6
161.05984	2.2
165.07025	2.9
166.07846	1.6
167.08533	9.9
169.06537	3.8
170.07303	1.7
171.04428	3.9
171.07994	7.0
173.05992	7.2
175.03883	4.9
177.05469	47.2
177.07022	2.9
178.05788	1.1
179.08525	2.1
181.06483	8.8
183.04466	1.6
183.08124	3.4
184.05170	1.4
185.05974	6.4
185.09639	5.0
187.07565	5.0
189.05553	2.5
191.03334	1.5
191.07002	1.4
191.08559	1.7
193.05016	1.2
194.07253	1.8
195.08046	41.4
196.08481	1.4
197.06035	7.5
197.09682	3.2
198.06812	3.4
199.07588	5.7
201.05460	27.0
201.07164	1.9
202.05719	1.1
203.07048	2.1
205.06650	1.2
205.08655	3.5
206.07387	1.6
207.08066	2.3
209.06076	2.2
209.09688	4.6
211.07542	9.4
211.11218	2.3
213.05658	2.4
213.09090	33.7
214.09351	1.3
215.07036	5.7
219.06393	1.9
219.08235	2.1
221.09708	4.1
222.10313	2.3
223.07532	7.4
223.11137	1.5
225.09178	4.0
227.07088	4.6
227.10709	2.2
229.08607	8.3
231.10153	14.3
233.08057	2.1
236.11894	1.2
237.09096	17.4
237.12679	13.4
238.09538	1.4
239.10738	9.5
241.08630	17.6
243.10274	2.5
246.10390	3.1
250.83824	1.0
251.10733	1.5
251.14299	6.8
255.10001	2.6
255.13792	33.9
256.14175	2.6
257.11722	6.8
259.09610	1.3
259.40579	1.1
261.12659	5.8
264.11462	1.6
269.15536	1.6
279.13773	29.2
297.14835	100.0
298.15060	5.6
299.11279	2.5
315.15955	53.0
316.16119	2.3
335.17426	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1589
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99802	0.3
59.04980	0.9
59.85635	0.3
60.04513	1.0
65.03932	0.8
66.10849	0.3
66.14355	0.3
67.05502	0.5
70.11892	1.6
79.05489	1.0
81.03421	0.5
81.07052	1.3
91.05482	10.2
93.07047	2.3
95.04965	0.5
98.21418	0.6
105.07024	1.2
107.08592	4.3
109.06560	0.4
109.10149	2.9
112.44920	0.3
119.04942	23.9
120.05260	0.9
123.08059	0.4
123.11704	0.7
133.10115	1.4
135.11713	1.4
144.26485	0.4
145.02892	0.4
147.04407	100.0
148.04732	3.8
151.11147	2.0
163.03915	2.9
165.05443	0.9
179.56189	0.4
189.47821	0.3
201.96167	0.3
266.82285	0.4
315.16031	0.8
316.28278	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1588
Annotation	bacteriochlorin
Peak:m/z	Relative Intensity
50.85040	0.1
56.51986	0.2
57.07064	0.2
57.94394	0.1
60.18938	0.2
65.03936	0.5
70.07291	0.4
70.07695	0.5
81.07028	0.5
91.05476	7.1
109.06556	0.2
109.10155	0.3
119.04939	20.8
120.05298	0.5
123.11682	0.4
147.04404	100.0
148.04739	1.7
151.11127	0.3
156.64243	0.2
206.80510	0.2
315.15842	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.159
Annotation	Gibberellin A103
Peak:m/z	Relative Intensity
51.02387	1.9
51.77717	1.9
55.05518	3.5
57.07069	2.2
58.36621	1.8
60.81754	2.0
67.05513	10.0
69.07057	6.2
69.35945	21.7
72.31223	1.9
79.05489	12.0
81.03402	7.7
81.07040	6.6
91.05474	16.3
93.07043	28.4
95.04984	2.7
95.08607	25.2
98.20656	3.6
103.05494	3.2
105.07022	13.3
107.08598	44.6
109.10188	12.0
111.04369	2.0
117.07027	13.7
117.27719	2.0
119.04943	21.0
119.08570	11.0
121.10133	6.6
123.04430	97.6
123.11711	4.0
125.35032	1.8
128.71681	1.9
129.07019	3.5
131.04907	6.2
131.08560	12.4
133.10135	13.0
135.04446	4.0
135.11674	33.3
136.83560	2.1
137.02376	2.1
137.05966	6.9
141.06931	3.1
142.25029	2.0
144.09355	3.0
145.06505	5.8
147.04413	85.0
148.04761	3.3
149.05977	8.9
150.28574	2.2
151.11119	5.6
157.06514	2.3
159.11685	34.9
161.05968	5.5
163.03928	15.4
163.07492	7.0
165.05533	4.2
167.08586	4.8
169.06465	5.2
173.06015	8.8
175.07518	12.5
177.09114	2.9
179.10823	2.2
181.06471	4.9
187.07526	8.5
189.05482	2.8
189.09090	5.1
195.08023	6.6
199.07509	12.0
201.05547	3.7
201.09047	3.7
205.12247	19.7
213.09109	14.5
215.18042	2.2
219.06551	10.5
227.06966	2.1
227.10640	5.7
259.09705	4.5
269.15353	100.0
270.15714	4.8
279.13821	2.7
297.14825	22.7
315.15942	67.5
315.34473	9.8
316.16318	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1589
Annotation	(-)-Rel-(pR,9S,9'S)-maximowicziol A
Peak:m/z	Relative Intensity
53.03930	0.4
55.01854	1.0
59.04989	0.5
67.05495	0.7
68.99777	0.8
69.43681	2.3
69.44086	0.6
77.03931	0.5
79.05488	1.4
81.07044	3.2
91.05467	5.4
92.66157	0.4
93.07039	7.7
93.30531	0.4
95.04953	1.4
95.08586	0.6
103.05479	2.3
105.07024	55.7
106.07349	1.2
107.04970	3.2
107.08591	4.0
109.06497	0.9
109.10140	3.6
115.05453	1.3
116.06269	0.6
117.07018	1.5
119.04897	1.9
119.81699	0.3
121.06512	1.6
121.10079	0.5
123.04402	1.0
123.11683	1.9
125.70943	0.3
128.06152	0.5
129.06964	1.0
131.04921	3.5
131.08556	8.2
133.10121	100.0
134.10443	2.8
135.04407	0.7
135.11688	2.3
137.09581	0.4
141.06990	4.2
143.08548	0.4
144.05702	4.8
145.06476	5.7
147.04401	12.6
149.05992	1.7
151.11188	2.0
159.04422	3.1
159.08041	17.4
161.09627	1.6
163.03926	2.3
163.07602	0.5
165.05486	1.0
169.06412	1.8
169.07530	0.6
177.05461	39.3
178.05830	1.4
187.07536	26.5
188.07890	0.9
195.08057	0.7
201.05441	1.9
205.08588	67.0
206.08913	2.8
218.08154	0.4
232.93253	0.3
253.15854	0.6
261.12756	0.7
279.13797	13.0
280.14114	0.8
297.14832	23.4
298.15283	1.5
299.11127	1.2
300.11749	0.8
312.74490	0.4
315.15927	41.4
316.16232	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	315.1588
Annotation	Ferulagol B
Peak:m/z	Relative Intensity
50.71046	3.0
55.01861	3.5
55.05516	4.6
57.07088	3.4
59.04998	3.3
61.14460	3.0
67.05505	12.7
67.86166	3.1
69.07059	14.0
70.05083	18.4
71.04984	7.6
79.05474	5.8
81.07064	20.1
83.08607	6.3
85.06532	6.9
91.05482	11.3
93.07056	12.4
95.04968	4.6
95.08607	21.5
103.05441	5.1
105.07021	4.8
107.08598	17.8
109.10139	22.6
116.87489	3.6
119.04943	16.6
121.10109	7.5
123.11708	12.7
129.06996	4.0
131.04924	10.3
133.06520	4.6
133.10126	7.2
135.11673	6.9
137.09622	3.8
145.06485	8.7
147.04401	79.7
149.05978	3.9
151.11189	9.3
153.07027	4.1
159.04413	11.8
159.08003	4.2
161.05968	3.5
163.03917	16.1
169.06482	6.9
171.07961	4.2
173.06006	18.2
177.05492	45.3
181.06451	7.4
183.04463	4.0
183.08113	5.8
185.06018	14.3
187.07520	4.9
191.03468	9.5
191.06906	7.0
194.07307	3.3
195.08047	16.8
197.06009	18.2
197.09630	6.2
199.07541	5.1
201.05443	11.8
209.06102	5.2
209.09612	12.0
211.07590	12.3
213.09061	4.4
215.07040	15.6
219.07994	3.9
221.09695	6.9
222.10359	4.0
223.07576	10.3
225.09146	5.4
227.07103	3.8
227.10689	3.4
229.08572	5.1
233.13159	4.1
235.07323	4.6
235.11238	4.1
237.09077	37.3
237.12775	11.3
239.10693	6.6
241.08662	10.9
246.10281	7.2
251.10730	5.2
251.14304	7.0
255.10095	8.5
255.13774	16.0
257.11780	10.4
261.12689	16.6
264.11456	5.8
267.10049	3.5
279.13773	59.9
280.14160	3.4
297.14862	100.0
298.15140	8.3
299.10913	5.6
315.14578	17.6
315.27963	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	315.159
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08321	0.6
54.49973	0.5
55.05525	0.9
57.07065	1.1
65.03954	0.8
67.05502	1.8
69.07049	1.4
69.95163	1.1
69.95584	2.2
75.10009	0.6
77.03951	0.6
79.05489	12.5
81.07056	1.9
89.03917	3.6
91.05479	6.0
93.07043	30.5
94.07365	0.7
95.04962	1.5
105.07027	2.2
107.04943	1.6
107.08592	72.2
108.08962	1.7
109.06515	1.4
109.10168	0.8
117.03363	4.5
118.32745	0.5
119.04924	1.0
135.04410	12.0
135.11690	100.0
136.11990	3.0
145.02844	9.4
147.04407	4.3
163.03903	62.9
164.04213	1.6
165.05492	0.9
171.93434	0.6
181.04988	3.4
315.15964	10.0
316.16336	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1589
Annotation	Ferulagol B
Peak:m/z	Relative Intensity
55.05519	1.1
58.90814	0.8
66.30140	0.8
67.05486	2.8
69.07086	1.1
70.78966	2.7
79.05492	14.4
81.07056	4.0
85.06557	1.5
89.03914	3.8
91.05477	7.7
93.07043	28.7
94.75616	0.8
95.04993	1.6
105.07027	5.5
107.04951	1.6
107.08591	76.5
108.08938	1.5
109.06506	4.2
109.10159	12.8
111.59602	0.8
117.03392	3.1
119.04946	5.9
123.11715	3.0
126.78248	0.8
133.10133	2.0
135.04393	8.0
135.11690	100.0
136.12012	2.5
145.02847	7.2
147.04404	31.1
148.04768	1.0
151.11171	10.5
163.03906	63.9
164.04269	1.0
165.05478	2.3
176.99086	0.8
179.81909	0.9
181.04964	3.9
236.04866	1.0
315.15903	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.159
Annotation	bacteriochlorin
Peak:m/z	Relative Intensity
55.43908	0.3
55.90166	0.3
55.94928	0.3
59.04990	1.5
60.04475	0.4
63.69661	0.4
64.56155	0.4
65.03952	0.6
70.91013	0.6
70.91432	0.8
81.07050	0.4
87.02815	0.4
91.05489	7.6
105.07033	1.0
107.08591	1.2
119.04947	23.6
125.81592	0.3
133.10133	1.2
142.53433	0.3
147.04411	100.0
148.04752	2.0
151.11176	0.5
152.34976	0.3
163.03900	0.5
176.12831	0.3
178.95576	0.4
279.33987	0.4
308.83334	0.5
315.15906	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1589
Annotation	bacteriochlorin
Peak:m/z	Relative Intensity
55.05501	0.7
65.03934	0.7
67.05506	1.0
69.07088	0.2
70.94844	0.5
71.26608	0.2
79.05505	1.2
81.07049	4.8
91.05476	8.2
93.06466	0.4
93.07043	6.6
95.04956	0.5
95.08605	3.2
105.07027	6.0
107.08592	4.5
109.06503	0.3
109.10170	1.0
117.03383	0.2
119.04940	21.4
120.05289	0.4
121.10143	4.7
123.11705	6.5
131.08560	0.6
133.10127	14.8
134.10484	0.3
135.04372	0.3
135.11685	2.2
141.51338	0.2
145.02898	0.2
147.04404	100.0
148.04741	2.4
151.11182	2.3
163.03880	1.7
165.05449	0.4
194.37672	0.2
297.14871	0.7
306.96716	0.2
315.15869	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1588
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05474	0.5
57.07051	0.6
59.04987	0.7
65.03911	0.4
67.05505	2.1
69.53301	0.4
70.19924	2.0
79.05489	4.4
81.07053	7.7
81.74664	0.4
91.05476	11.0
93.07040	16.8
95.04950	1.3
95.08599	2.7
105.07034	3.8
107.04974	1.1
107.08581	3.8
109.06509	1.5
109.10151	9.1
119.04941	25.1
120.05232	0.6
121.06521	0.4
121.10137	13.2
123.11702	18.0
133.10112	9.9
135.11674	0.7
147.04405	100.0
148.04739	3.3
151.11174	10.0
163.03906	1.6
165.05504	1.3
169.36226	0.4
172.04613	0.4
175.24933	0.4
208.37352	0.4
214.93127	0.5
269.15393	1.3
274.86951	0.5
297.14859	0.6
315.16043	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	315.1589
Annotation	Ferulagol B
Peak:m/z	Relative Intensity
50.29016	0.3
50.33724	0.3
53.03944	1.2
55.05502	2.1
60.16617	0.3
65.03945	0.5
67.05497	3.1
68.81516	0.3
69.07074	1.3
71.50612	0.6
79.05488	12.4
81.07060	2.7
89.03918	3.8
91.05475	7.8
93.07037	50.5
94.07378	0.9
95.04971	2.8
95.12417	0.3
105.07016	2.9
107.04971	1.6
107.08586	73.3
108.08935	1.4
109.06508	1.6
117.03365	5.8
117.86966	0.4
119.05005	0.4
119.06033	0.4
132.68736	0.4
135.04411	13.5
135.11681	67.2
135.70239	0.3
136.12012	2.5
145.01736	0.7
145.02834	9.7
146.03246	0.4
147.03343	0.3
147.04382	1.8
163.03894	100.0
164.04211	2.4
181.04927	5.5
244.32480	0.4
294.13068	0.3
303.50845	0.4
311.51950	0.4
315.15875	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	315.159
Annotation	Ferulagol B
Peak:m/z	Relative Intensity
50.82289	1.9
51.88833	2.1
55.05509	3.2
57.07078	3.8
58.61647	2.0
59.05000	3.1
64.86950	2.0
67.05499	8.3
69.03437	2.9
69.07053	4.6
69.57867	13.8
70.85847	2.3
79.05493	7.5
81.07069	10.7
83.08598	3.3
91.05489	12.1
93.07050	17.0
95.04974	4.1
95.08603	11.7
105.07037	8.5
107.04962	30.3
107.08591	38.8
109.06538	5.5
109.10154	16.1
117.07050	3.6
117.54373	1.9
119.04955	25.0
119.08544	2.6
120.05285	2.6
121.02864	16.8
121.06495	6.9
121.10126	5.9
123.04414	3.3
123.08110	2.8
123.11683	7.6
131.04918	4.2
131.08536	3.3
133.06471	4.0
133.10129	11.1
135.04433	2.7
135.11697	21.3
142.26215	2.0
143.08588	2.2
145.06522	6.7
145.10034	3.6
147.04414	100.0
147.08003	3.2
149.09679	2.7
151.11185	11.4
152.06215	3.4
157.06519	6.5
157.10124	3.8
159.04451	2.9
159.11652	4.1
163.03912	19.7
165.05562	3.1
165.07002	5.2
167.08545	9.6
169.06560	2.2
170.07356	3.2
171.08029	5.1
173.05997	4.3
175.07550	2.9
181.06474	2.7
181.10239	2.1
183.07968	5.0
185.09604	26.0
187.07587	3.8
193.10036	2.1
195.08061	13.5
196.08797	4.0
197.09601	11.3
198.06735	9.8
199.07477	2.8
203.10773	2.4
209.09633	8.3
211.11096	12.0
213.09097	38.3
213.12523	2.2
225.12729	4.1
227.10626	4.4
231.06483	2.6
237.09027	3.0
239.10637	6.2
241.08588	42.2
251.14378	6.5
253.15897	10.6
255.10194	3.8
255.14069	2.9
262.02515	2.5
269.15378	12.3
271.16925	11.1
273.68423	2.0
279.13586	2.2
296.86182	2.0
297.14880	56.7
298.15091	3.5
299.11020	5.2
315.16113	12.5
315.27914	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	315.1587
Annotation	Ferulagol B
Peak:m/z	Relative Intensity
55.05501	3.5
57.07075	2.9
58.06603	14.2
59.04998	40.5
59.06925	4.0
61.77123	2.6
67.05499	4.9
69.07050	2.6
70.96483	5.0
79.05489	5.3
81.07050	11.9
91.05473	15.6
93.07056	17.4
94.07844	4.0
95.04952	6.0
95.08594	5.8
103.05501	2.5
105.07030	24.0
107.04949	14.7
107.08580	23.8
109.06526	3.1
109.10154	21.7
111.78421	1.9
117.06956	2.3
119.04937	21.0
121.02870	3.1
121.06509	2.2
121.10112	3.2
121.20952	2.0
123.08038	2.8
123.11668	3.9
124.24760	2.5
131.04959	2.3
131.86343	2.4
133.10124	43.4
135.11679	23.6
143.08557	2.6
147.04404	100.0
148.04715	2.9
151.11211	12.5
152.07909	3.7
157.06004	2.5
163.03905	15.4
165.05508	17.1
166.07732	2.0
167.08513	3.0
171.08011	2.7
177.05443	5.4
181.04875	2.2
182.24336	2.1
185.09631	5.2
187.07478	2.2
195.08080	5.9
197.09543	4.1
201.05435	3.2
205.08640	4.1
211.07536	2.2
211.11299	2.9
213.09178	8.1
215.07045	5.3
223.58537	1.9
237.09058	4.1
237.12639	2.6
239.10724	6.3
241.08594	6.6
241.86493	2.2
269.15369	3.6
279.13733	6.7
297.14865	22.6
299.11047	35.1
300.11710	7.9
315.15909	10.6
315.27997	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	315.1588
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05462	0.4
55.41172	0.3
57.07064	0.7
59.04975	0.8
65.03925	0.8
67.05500	2.6
70.79793	1.2
79.05466	1.4
81.07041	7.9
91.04902	0.6
91.05470	10.8
93.07030	4.7
95.04962	0.7
95.08596	1.4
104.76682	0.3
105.07021	14.7
106.07359	0.4
106.62901	0.3
107.04935	0.6
107.08581	16.7
107.14333	0.3
109.06541	1.7
109.10141	6.0
119.04928	22.3
121.10137	0.7
123.04455	0.3
123.08025	0.4
123.11690	16.3
124.12025	0.4
131.08502	0.5
133.10115	19.1
134.10460	0.6
135.11642	0.7
147.04391	100.0
148.04710	2.8
151.11163	30.7
152.11526	0.8
161.05995	0.7
163.03934	0.7
165.05469	1.5
195.08156	0.4
205.06464	0.4
223.07510	0.9
243.02837	0.4
251.07042	0.7
256.71677	0.4
269.08151	0.7
283.09534	1.6
287.05563	1.9
297.07571	0.5
315.08612	0.6
315.12354	0.9
315.15860	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	314.1749
Annotation	Roefractine
Peak:m/z	Relative Intensity
53.03939	0.5
58.06588	1.2
71.62198	0.6
75.80859	0.4
78.04688	0.4
79.05474	0.8
81.07075	0.5
85.72459	0.4
91.05476	2.9
93.07037	0.5
95.04958	1.1
103.05462	0.7
105.07034	3.1
107.04955	1.0
107.08630	0.6
109.06484	0.7
115.05448	4.1
117.06988	0.7
119.04919	0.6
121.06503	88.4
122.06847	1.6
123.04422	0.5
129.06967	0.8
131.04938	1.2
133.06461	0.6
135.08052	5.9
137.05978	8.2
143.04927	10.3
144.05711	2.2
145.06461	1.2
147.04337	0.5
147.08060	1.1
149.00903	0.4
151.07486	2.0
153.12790	0.6
159.08051	5.5
160.05197	3.5
161.05891	0.9
163.07541	0.6
165.07019	0.7
175.07552	13.8
177.06831	0.6
178.08636	1.3
179.08571	0.7
191.08546	1.4
192.10284	3.8
193.06470	0.5
195.08116	1.1
196.08870	1.2
205.06462	1.4
206.31816	0.4
207.08058	0.7
208.08769	3.8
209.09555	0.6
211.11143	2.9
219.07954	1.1
220.08928	0.8
221.05983	0.5
221.09659	0.6
223.07693	1.9
223.11165	5.2
224.08279	0.6
225.09087	0.7
225.12646	0.5
233.06067	0.8
234.06824	0.7
235.07462	0.4
236.08327	1.1
237.09096	0.7
239.06972	0.7
239.10652	1.7
251.07080	1.7
251.10643	7.5
252.11452	0.9
253.08488	1.0
253.12236	0.6
264.07574	0.5
265.08566	1.6
266.09262	1.3
267.06546	1.4
268.10953	1.8
269.08057	2.4
271.13226	1.7
279.06433	0.9
279.10156	0.5
282.08905	2.0
283.13290	16.3
284.13696	0.6
285.14697	0.9
297.07562	2.0
297.11166	3.6
298.10886	1.0
299.11487	0.7
314.14261	4.7
314.17477	100.0
315.08517	0.8
315.14053	0.8
315.17792	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	315.159
Annotation	(-)-Rel-(pR,9S,9'S)-maximowicziol A
Peak:m/z	Relative Intensity
50.03583	2.2
55.01849	2.4
57.07074	17.2
67.05518	5.7
68.70380	2.2
69.07066	3.6
70.19711	2.3
71.56261	5.5
74.10901	2.2
74.89920	2.1
79.05487	4.4
80.69453	1.9
81.07063	6.7
83.04971	2.5
85.06548	48.7
89.88834	2.1
91.05465	4.3
93.07026	5.8
95.08608	40.2
97.06507	2.5
99.08070	3.4
103.05463	4.7
107.04887	2.8
107.08601	31.9
109.10152	9.7
121.10135	2.9
123.08062	3.2
125.09623	32.7
131.04932	4.2
135.11690	2.7
137.09706	2.4
138.50414	2.7
142.07730	3.1
145.06467	5.1
147.04417	10.8
151.11200	7.9
152.06212	4.8
153.06966	2.9
157.06505	9.5
159.04440	6.0
167.08588	12.8
169.06447	5.4
170.07236	4.4
171.04430	8.0
171.08060	10.9
173.06033	9.3
177.05440	26.5
181.06506	7.6
183.08115	3.9
185.06044	7.7
185.09607	8.6
195.08057	55.4
197.06041	8.0
198.06807	6.6
199.07549	4.6
201.05455	13.0
209.09581	4.6
211.07562	12.8
213.09094	49.9
214.09459	3.5
215.07118	2.7
221.09689	3.3
223.07523	5.4
225.09053	5.9
229.08627	9.9
231.10147	21.6
237.09117	20.1
237.12697	18.3
238.12872	2.5
239.10681	2.5
241.08609	10.3
243.10114	4.2
251.14343	9.8
255.13803	44.7
256.13989	4.2
261.12848	4.9
279.13794	28.1
297.14859	100.0
298.15283	5.4
299.10989	2.5
303.12378	2.5
315.15976	59.8
316.16080	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	313.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05294	0.6
55.05509	6.2
55.66023	0.5
57.03439	17.0
57.07077	44.3
61.01598	0.5
67.05505	9.4
69.07065	8.2
69.55305	2.5
69.55729	1.9
71.04997	0.6
71.08630	30.5
75.04469	0.7
79.05437	0.7
79.70507	0.5
81.07055	11.9
83.08615	8.8
85.10184	16.8
89.06020	2.1
93.07039	1.2
94.52326	0.6
95.08612	15.2
97.06540	0.6
97.10161	5.2
98.21478	1.2
99.11736	1.2
103.07571	2.3
105.07030	0.6
109.10161	8.7
111.11724	1.1
113.13318	0.6
117.09133	0.9
123.11708	3.9
125.13264	0.6
133.10143	1.1
137.13213	1.5
151.14784	0.9
221.22705	0.7
239.23648	3.5
257.24792	5.5
298.27344	0.7
313.27362	100.0
314.13782	1.1
314.27649	3.6
326.48926	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.1385
Annotation	Cepharatine B
Peak:m/z	Relative Intensity
57.21065	0.3
58.06546	0.7
67.05446	0.4
67.91270	0.3
69.03399	0.6
69.86201	0.7
69.86616	1.1
81.03354	0.3
81.06988	0.4
82.07355	0.3
85.02899	1.8
91.05407	0.6
96.71886	0.3
97.02815	0.6
98.20810	0.4
99.87610	0.4
105.06958	0.9
106.07289	0.5
107.04899	0.6
108.05651	0.4
109.06390	0.4
110.76299	0.3
117.06987	0.3
119.04803	0.3
123.11652	0.3
124.11957	0.4
131.04875	0.5
133.10081	0.3
134.10378	0.7
136.05185	0.5
136.06145	0.9
136.07327	0.2
137.05878	1.3
138.05423	0.7
143.04904	0.4
145.06276	0.3
149.49063	0.3
150.06671	0.4
151.07542	9.0
151.11069	0.7
152.07050	3.4
152.11435	1.1
162.05399	0.8
163.06236	0.7
164.06940	0.5
165.09167	1.4
176.07037	0.6
217.77060	0.3
236.10736	0.5
238.08644	0.5
242.08241	0.4
251.06891	0.6
256.09637	1.0
266.08081	0.5
268.13382	0.9
270.07541	1.3
273.11108	0.3
280.09726	0.9
281.10428	0.5
282.11197	0.8
283.08322	1.8
284.09155	2.7
285.09912	1.3
296.12793	1.2
298.10721	50.6
299.11481	31.5
300.11887	0.8
314.13843	100.0
315.14206	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	313.1644
Annotation	Thymol glucoside
Peak:m/z	Relative Intensity
53.03933	4.7
55.01865	4.2
55.05495	5.0
55.43149	1.6
57.03441	10.7
57.07057	4.3
57.15645	1.6
58.06594	5.1
59.04990	6.6
61.02912	5.8
65.03922	3.3
67.05158	2.6
67.05493	22.9
69.03428	30.6
69.07076	7.8
70.09723	7.0
70.21545	1.8
71.04972	7.0
73.02898	5.0
77.03895	1.7
79.05499	12.6
81.03424	14.6
81.07053	75.4
83.04974	9.8
85.02426	2.7
85.02904	41.7
91.05482	20.0
93.07037	100.0
95.04961	19.1
95.08599	18.1
97.02872	12.7
97.06506	4.9
99.04440	8.1
103.03929	7.2
103.05460	2.6
105.07027	44.0
107.04939	3.7
107.08594	26.4
109.02885	3.9
109.06508	18.6
109.10155	33.9
111.04405	3.2
117.07009	6.1
119.04967	3.0
119.08579	13.3
121.02889	3.3
121.06496	6.8
121.10116	11.3
122.44125	1.6
123.04406	2.5
123.08058	6.9
123.11697	69.7
125.06004	2.9
127.03922	15.1
128.06227	2.7
129.07019	2.8
131.08551	6.6
133.06491	2.0
133.10130	46.8
135.08055	29.9
135.11673	4.2
137.05984	5.4
137.09503	2.6
142.07762	4.4
143.08540	6.8
145.04964	4.1
145.10110	10.4
147.08038	7.0
147.11676	20.0
149.05974	3.0
149.09599	7.1
149.69310	1.6
151.03802	2.6
151.11186	58.7
155.08585	1.8
157.10109	7.6
159.08055	3.0
159.11679	4.6
161.09628	39.1
163.07530	2.7
163.11154	4.5
169.09973	2.3
169.12222	8.1
171.11555	2.2
173.09639	6.5
175.11208	11.4
185.08028	2.0
185.09528	2.1
187.11200	3.3
189.09059	1.8
189.12709	2.1
191.10597	4.1
193.12224	2.6
199.11179	2.8
217.12305	3.8
229.12233	2.3
231.13908	1.8
241.12280	3.7
259.13214	3.2
277.14359	4.5
284.06659	2.8
295.06070	2.9
295.09769	2.8
295.15396	7.0
296.09982	2.6
298.10684	15.6
299.11456	8.3
313.07019	26.7
313.13077	3.8
313.16501	23.4
314.07584	2.4
314.13797	31.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	5.0
57.03437	17.2
57.07075	43.6
63.45073	0.5
67.05503	8.2
69.07063	6.7
69.27125	6.2
71.04985	0.7
71.08628	30.3
75.04466	0.5
79.05476	0.9
81.07053	10.9
83.08611	8.4
85.10182	15.6
89.06014	2.1
91.05454	0.8
93.07042	0.9
95.07980	0.7
95.08601	13.6
97.10158	5.4
98.20678	1.2
99.11710	0.6
99.53821	0.5
103.07555	1.8
105.93787	0.6
109.10157	6.7
111.11726	1.0
117.09137	0.7
123.11700	3.3
125.13284	0.6
133.10062	0.7
137.13286	1.3
151.14777	0.7
157.06529	0.6
159.13474	0.6
165.16425	0.8
175.07558	0.7
221.22765	0.7
239.23680	3.7
251.23869	0.6
257.24796	5.0
275.25833	0.7
298.10870	0.9
298.27484	1.0
299.11356	1.0
311.74268	0.5
313.27356	100.0
314.13864	1.7
314.27621	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1644
Annotation	Thymol glucoside
Peak:m/z	Relative Intensity
53.03933	4.4
53.51628	1.0
53.69727	1.1
55.01873	4.9
55.05496	4.0
57.03434	9.1
57.07087	2.0
59.04981	2.5
61.02922	12.5
66.92310	1.0
67.05175	1.5
67.05505	23.9
69.03429	32.0
69.07060	5.8
69.47253	1.1
69.69543	4.1
69.69947	3.0
71.04977	4.9
73.02903	5.2
79.05493	7.7
81.03417	14.0
81.06576	1.9
81.07051	30.8
83.01340	1.1
83.04990	2.5
85.02901	100.0
87.04478	4.9
91.03947	6.0
91.05475	29.9
93.07036	17.8
95.04942	3.5
95.08611	5.9
97.02885	36.4
99.04444	6.3
103.05482	1.1
105.07032	39.3
107.04922	1.3
107.08582	16.0
109.02882	10.1
109.06506	4.7
109.10163	2.9
115.03927	2.5
117.07001	1.7
119.08546	2.2
121.02846	1.5
121.10146	5.2
123.11704	26.2
127.03916	19.7
129.07004	1.1
131.08556	4.4
131.55089	1.0
132.05637	1.5
133.06471	1.8
133.10124	45.6
135.08080	2.3
135.11711	7.8
136.06210	1.2
137.05913	1.5
145.04953	21.2
145.10098	3.8
147.11650	2.0
149.09634	4.8
151.07545	5.8
151.11174	99.3
152.07166	1.6
152.11613	1.7
161.09654	1.5
163.11066	1.2
169.12262	1.8
173.09621	1.5
175.11188	3.2
187.11151	1.8
205.12183	2.1
213.12846	1.7
259.13196	1.6
268.09766	1.3
277.14316	4.2
295.09604	1.6
295.15314	5.0
298.10727	28.6
299.11526	13.5
313.13165	1.5
313.16422	4.6
314.13840	59.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1644
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.1
55.01858	3.4
55.05491	4.0
57.03442	9.4
57.07060	2.2
59.05001	2.0
61.02929	12.1
65.03931	1.2
65.05448	1.0
67.05167	1.5
67.05502	19.6
69.03430	30.5
69.07061	5.1
70.06569	1.6
71.04971	4.4
71.58485	0.9
71.58883	1.3
73.02920	6.7
76.65963	1.1
79.05515	5.8
81.03419	15.5
81.07059	27.1
83.04971	2.8
83.08560	0.9
85.02904	97.8
85.89915	1.0
87.04464	4.1
87.09211	3.9
91.03978	5.3
91.05476	32.6
93.07037	12.3
95.04961	6.5
95.08599	3.9
97.02892	32.7
98.03259	0.9
99.04440	6.4
103.05420	1.5
105.07027	34.0
106.06570	2.0
107.04995	1.5
107.08584	10.0
109.02871	9.8
109.06512	3.4
109.10152	2.6
109.71603	1.0
111.04394	1.1
115.03925	1.2
117.07014	2.2
119.08568	1.8
121.06544	1.5
121.10127	8.4
123.04453	2.3
123.08086	1.1
123.11709	24.4
127.03910	19.9
129.07004	1.7
131.08598	5.2
133.06464	1.2
133.10127	44.5
134.06003	19.1
135.04379	1.0
135.08064	1.3
135.11693	4.7
136.06099	1.2
137.05965	1.9
143.08519	1.1
145.04961	19.3
145.06262	1.1
145.06563	1.2
145.10150	2.1
146.11110	1.0
147.08047	1.1
147.11658	1.8
149.09601	5.8
150.62328	1.1
151.03893	3.7
151.11186	100.0
152.07039	3.3
159.11740	1.8
161.09607	2.0
163.07483	1.1
163.11165	1.5
165.06984	1.0
175.11191	2.9
187.11191	2.3
201.11488	1.1
217.12277	1.3
241.12256	1.2
277.14352	2.7
295.15332	5.1
298.10748	2.5
299.11334	1.9
305.09433	1.1
313.16388	2.4
314.13855	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	313.1644
Annotation	Thymol glucoside
Peak:m/z	Relative Intensity
53.03936	1.6
55.01880	1.7
55.05499	2.3
55.56817	0.7
57.03423	3.6
57.07067	2.2
59.04986	1.0
59.59326	0.7
61.02913	3.0
65.03938	1.0
67.05493	3.1
69.03429	30.0
69.07059	1.4
71.01340	0.9
71.04977	2.9
71.08624	0.7
71.43177	1.0
71.95921	0.8
72.38052	0.7
73.02909	3.2
79.05485	4.7
81.03413	12.3
81.07060	14.9
83.04993	1.3
83.08621	0.8
85.02901	16.9
87.04496	0.9
91.05478	15.5
93.07051	10.6
95.04961	5.4
95.08595	3.0
97.02888	8.3
97.06487	1.0
99.04457	5.1
101.02387	0.9
105.07030	32.3
107.04959	10.8
107.08592	29.2
108.05286	2.0
109.02890	2.6
109.06501	6.4
109.10149	6.0
111.04468	1.0
113.02352	1.0
115.03896	1.4
115.05408	1.7
117.07019	1.6
119.04943	4.4
119.08563	3.0
121.06521	2.8
121.10155	4.5
123.04430	1.2
123.08038	1.2
123.11703	21.0
127.03919	6.4
131.08556	3.4
133.10127	100.0
135.08025	2.3
135.11676	6.2
137.09709	1.0
143.08551	1.0
145.04976	3.0
145.06514	1.1
145.10139	1.5
147.11713	2.0
149.09569	1.1
150.05475	0.8
150.09189	1.2
151.03925	2.5
151.07550	3.3
151.09409	1.6
151.09869	1.5
151.11171	24.6
152.07097	1.2
157.10085	1.0
161.09601	1.8
163.11258	1.6
169.12215	0.9
175.11171	2.2
186.25493	0.8
217.12164	1.0
237.02861	1.6
238.02466	0.8
241.12090	0.9
259.13229	0.9
277.14426	1.5
294.65063	0.9
295.15497	1.8
313.08981	0.9
313.16345	2.8
313.27283	2.0
314.13779	1.9
339.07477	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1433
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.7
55.01854	0.5
55.05521	0.8
56.94297	0.5
57.07110	0.5
62.06148	0.4
65.03951	0.7
67.05495	1.3
69.03413	0.7
69.07047	1.0
71.59565	0.5
79.05493	3.5
81.07053	2.3
86.58865	0.5
88.12170	0.4
89.03922	2.3
91.05478	8.1
93.07043	16.1
95.04970	1.7
95.08595	1.4
103.05476	1.1
105.07027	100.0
106.07355	1.4
107.04954	2.2
107.08568	1.5
109.10159	0.7
115.05467	0.5
117.03384	3.7
117.07006	0.9
119.04955	5.5
119.08625	0.9
121.06491	0.8
121.10151	0.8
123.08078	0.6
123.11690	1.0
131.08601	1.1
133.10127	56.4
134.10486	1.0
134.99620	0.7
135.04420	8.7
135.08026	0.6
137.05980	4.2
145.02847	6.0
147.04402	22.4
148.04839	0.5
149.09619	0.8
151.03859	1.0
151.07547	1.1
157.10170	0.5
163.03906	42.7
164.04158	0.8
181.04924	1.9
189.09151	0.6
201.29630	0.5
221.05980	0.6
225.09030	0.8
239.06866	0.4
250.09344	0.6
253.08505	0.8
255.06935	0.5
268.10559	0.6
291.45120	0.5
296.13623	0.6
298.10864	0.8
313.07224	1.0
313.10703	3.8
313.14398	8.7
314.14066	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	313.1432
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15076	0.3
53.03941	1.6
55.01870	0.6
55.05508	0.8
57.03435	14.0
61.33938	0.4
65.03947	0.7
67.05492	0.5
69.03428	1.0
69.95633	1.7
71.04992	1.1
79.05491	8.0
81.03410	0.7
81.07049	2.0
89.03934	0.6
91.05479	39.2
92.05795	0.5
93.07042	21.9
95.04963	3.8
95.08585	0.5
98.37352	0.4
103.05450	2.2
105.04521	0.4
105.07027	24.3
106.07340	0.5
107.04961	1.0
107.08591	24.5
109.06509	1.0
109.10155	0.8
115.05447	2.0
116.06245	6.6
119.04940	20.2
119.08576	4.8
120.05277	0.5
121.06522	1.0
121.10134	9.3
123.04436	0.5
123.08025	0.8
123.11667	0.6
128.06209	0.9
129.07001	5.2
131.08565	44.5
132.08922	0.7
133.06474	0.6
133.10135	4.1
135.04405	1.5
147.04405	100.0
148.04720	1.7
149.09616	22.4
163.03896	6.5
165.05470	36.7
313.06961	0.5
313.14304	15.2
314.14105	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1435
Annotation	Aceroside D
Peak:m/z	Relative Intensity
55.05509	4.9
57.03437	7.0
57.06826	1.6
57.07078	19.8
66.95596	1.0
67.05509	5.5
69.07068	4.5
69.47561	0.9
71.08627	14.0
72.65120	1.0
73.57901	0.9
79.05475	3.4
81.07055	8.3
83.08604	3.3
85.10182	6.7
89.03946	1.0
89.06029	1.2
90.35018	1.1
91.04967	1.3
91.05484	15.3
93.07037	3.9
94.35664	0.8
95.08611	10.0
97.10150	2.7
98.21500	2.5
105.07031	68.6
107.04955	2.4
107.08571	1.7
109.10153	5.9
111.11681	1.0
115.05402	1.5
117.03373	3.6
117.07025	1.2
118.07800	2.3
119.04949	1.0
119.08566	2.6
121.06517	0.8
121.10084	1.2
123.04379	1.2
123.11718	4.5
129.07045	1.3
131.08575	5.3
133.10129	100.0
134.10706	1.7
135.04428	9.4
141.06946	1.2
145.02852	5.1
145.06471	1.3
147.04416	4.8
155.08638	1.0
163.03905	49.2
164.04233	1.1
165.07085	0.9
166.07687	1.0
177.05540	1.1
181.04951	1.9
181.06488	1.1
183.11720	1.2
199.07559	1.2
203.06984	1.3
205.04991	4.0
207.11748	1.1
221.06073	1.1
221.08078	3.2
221.13235	1.8
223.07478	2.6
225.09180	1.1
229.19269	1.2
239.14256	1.3
239.23807	2.2
249.12735	1.3
251.07033	1.4
257.24695	2.3
267.13904	4.4
285.14828	2.0
295.06000	2.5
295.13284	26.8
298.10742	4.3
299.11523	1.8
312.36307	3.1
313.07086	1.5
313.14371	16.3
313.27380	50.0
313.36447	1.5
314.13947	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	313.1433
Annotation	5,22-dihydroporphyrin
Peak:m/z	Relative Intensity
51.02374	0.8
53.03955	0.7
55.01866	0.9
58.06614	3.7
65.03969	0.6
67.05482	1.0
71.17311	1.1
73.02920	0.7
79.05495	5.4
81.03427	0.8
81.07051	1.9
85.02901	0.7
91.05473	12.2
91.99261	0.6
92.06244	1.0
93.07003	1.0
94.04166	2.3
95.04969	2.3
103.05465	16.4
105.07027	8.7
107.04938	6.3
107.08583	2.3
109.02851	0.7
109.06496	2.4
109.10149	1.2
115.05448	6.1
116.06255	0.8
117.07011	12.1
119.04924	1.8
119.06069	0.7
119.08565	0.7
120.05726	8.1
121.06493	1.8
122.03651	7.5
123.04420	2.2
123.11723	2.4
128.06223	4.8
129.06998	18.8
129.94916	0.6
131.04926	15.8
133.06506	1.8
135.08055	14.0
137.05972	100.0
138.06303	3.4
139.06529	1.0
143.04848	0.6
145.06502	3.1
146.07259	1.2
147.07951	0.8
148.05180	1.3
151.03896	2.3
151.07564	6.0
151.11136	0.9
153.26254	0.6
155.06018	0.6
157.06509	7.9
159.08076	0.8
161.05983	2.3
161.09642	0.8
162.06772	0.8
163.07539	77.6
164.07904	1.7
170.99657	0.6
174.06775	4.9
175.07578	2.1
177.09099	21.9
181.08601	8.8
181.90227	0.6
187.07515	0.9
189.09111	23.7
190.07747	0.7
190.09344	0.8
191.08548	1.7
193.09114	0.7
205.06502	1.5
211.07608	0.9
219.08051	1.7
220.08371	1.4
221.09019	0.8
222.06812	1.2
223.07698	0.7
225.08820	0.7
233.06081	2.1
235.07935	0.7
236.08144	1.2
237.09100	1.9
238.09105	0.6
239.07001	1.2
247.07462	0.7
249.08981	1.1
250.06317	0.8
251.06996	0.7
251.10667	1.0
252.10995	1.0
253.08800	0.9
253.11467	1.8
265.08627	7.5
266.09036	1.0
269.08380	0.9
269.11661	1.0
281.10867	3.9
292.10162	1.1
296.09964	0.8
297.11270	4.9
298.10873	3.0
299.11414	1.3
301.10458	1.2
301.60880	0.7
313.14337	52.3
314.14117	7.5
314.17627	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	312.1593
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86588	0.3
55.05493	0.5
56.45280	0.3
69.07064	0.5
70.39967	1.2
75.04479	0.4
81.07079	0.4
85.02863	0.4
91.05470	1.7
98.97593	0.7
107.04935	0.5
118.23215	0.3
119.04945	3.9
121.10111	0.4
137.05972	0.6
147.04408	18.4
148.04738	0.4
164.07034	0.5
165.06996	0.7
167.08578	0.4
176.06172	0.4
177.06920	0.6
178.07750	1.6
179.08536	1.6
181.06467	0.4
181.10107	0.4
186.63441	0.3
189.07005	1.1
190.07744	0.9
191.08527	2.6
192.09288	0.7
193.10094	1.4
194.07230	1.1
195.07936	0.7
202.07791	0.8
203.08556	1.7
205.06479	4.4
205.10089	0.6
206.07253	3.4
207.08005	1.2
208.08572	0.4
209.09581	1.1
217.06439	3.3
218.07237	2.0
219.08028	7.8
220.08757	1.3
221.05986	1.1
221.09602	15.5
222.06726	1.1
222.10039	0.9
223.07521	0.4
231.08020	0.7
232.08885	1.9
233.05969	6.8
233.09570	4.6
234.06754	5.8
234.10228	1.1
235.07520	3.9
235.11195	0.9
236.08200	1.3
237.09120	4.9
247.07539	4.4
248.08308	4.1
249.09102	19.8
250.06326	0.7
250.09818	2.2
251.06981	1.4
251.10643	0.4
252.07623	0.3
263.10663	4.5
264.08487	0.5
264.11435	21.7
265.08597	28.3
265.11871	1.9
266.09067	1.3
267.10153	8.3
268.10468	0.7
277.08566	0.9
279.10205	1.5
280.10925	33.7
281.11261	1.1
294.11203	0.8
295.13263	100.0
296.13669	3.6
312.12393	2.1
312.15936	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	313.1432
Annotation	Stemofuran I
Peak:m/z	Relative Intensity
50.36028	0.7
53.03944	0.9
55.01856	1.2
57.03428	0.7
58.06600	3.9
61.01119	0.6
65.03922	1.3
67.05496	0.9
69.03420	0.9
69.76751	1.2
69.77164	2.2
70.06586	0.5
70.34301	0.5
77.03904	0.5
78.03780	2.2
79.05476	2.1
81.03391	0.5
81.07054	2.3
83.05008	0.7
85.02919	1.1
86.28835	0.4
91.05473	33.4
92.05817	0.8
93.07024	1.3
94.04166	1.7
95.04961	7.3
95.08583	0.6
98.15288	0.5
102.03749	2.8
103.05447	1.9
103.06055	0.4
105.07004	1.6
106.32679	0.4
107.04954	11.2
107.05677	0.4
109.06512	3.3
115.05447	2.1
117.07017	1.5
119.04931	22.0
120.05320	0.7
121.02922	0.7
121.06505	1.8
122.03647	5.6
123.04409	8.8
123.08046	1.7
126.09091	0.5
128.06209	6.9
129.06998	21.2
131.04898	3.0
131.06372	2.3
131.08580	1.5
132.04747	1.1
133.06473	1.6
133.10118	0.6
135.08044	1.1
136.05186	4.1
137.05966	81.2
138.06326	1.3
143.04906	1.6
145.06494	3.2
146.07242	1.3
147.07942	1.4
149.06024	1.5
149.07417	12.9
150.31129	0.5
151.04060	2.5
151.07532	100.0
152.07892	2.2
156.05664	1.5
157.06482	15.3
158.07185	0.8
159.04376	0.7
159.08034	0.7
160.05173	0.9
161.05992	2.1
161.09587	1.8
162.06483	0.6
163.03864	1.2
163.07523	4.2
165.05450	2.2
165.06975	2.3
165.09140	0.6
167.08572	1.0
169.06511	1.0
169.09697	1.2
173.06027	0.5
174.06749	12.6
174.08170	1.0
175.07529	6.9
177.06885	0.5
177.09053	0.9
178.07713	4.2
179.08527	0.7
181.06577	0.8
187.07549	0.7
189.09091	57.5
190.09387	1.3
191.08536	1.2
193.06436	1.5
193.10129	5.2
194.07181	0.8
195.08038	1.0
196.08798	0.6
197.05968	1.9
202.07780	1.6
203.08597	2.6
205.06454	1.3
206.07242	2.0
207.07996	0.7
209.05984	1.2
209.09662	0.8
210.06693	1.9
211.07524	1.4
219.08040	1.3
220.08772	1.3
221.06134	1.0
221.09608	12.2
222.09969	1.1
223.07600	1.5
224.08331	1.1
225.05580	1.0
225.09064	1.2
231.08044	1.7
234.06711	1.5
235.07361	0.6
235.11171	1.1
237.09116	1.4
238.06146	0.7
238.09883	1.1
239.07123	1.5
239.10632	0.6
241.08589	0.9
248.08444	0.7
249.09122	8.0
250.09621	0.9
251.07045	1.2
252.07851	1.1
253.08563	1.4
253.12227	10.8
263.10501	0.7
265.08649	1.7
266.09290	1.3
267.10211	2.2
269.08127	2.9
269.11655	0.6
272.10413	1.1
277.08566	1.6
281.11670	7.4
283.13165	1.2
284.10391	1.9
285.11133	1.1
286.12244	0.6
295.06537	0.6
295.09567	3.3
295.12619	0.7
297.11169	0.6
298.10825	2.8
299.11539	2.2
313.06821	1.7
313.11227	1.8
313.14307	50.8
314.13995	7.1
314.17542	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	311.2942
Annotation	ent-8alpha,15-Labdanediol
Peak:m/z	Relative Intensity
53.03946	2.0
55.05509	41.6
57.07074	18.9
59.04995	3.9
61.59945	1.1
67.05170	2.9
67.05505	31.2
67.17317	1.2
69.03423	3.6
69.07066	100.0
70.06104	6.3
71.04990	3.0
71.08624	8.6
75.85400	1.3
79.05487	16.2
81.03402	2.4
81.07053	96.4
83.04977	1.5
83.08614	38.2
84.08956	1.8
85.02888	1.7
85.06541	22.0
85.10192	3.1
91.05473	5.7
93.07039	23.1
93.07610	1.5
95.05011	2.1
95.08602	87.6
97.06519	6.5
97.10165	26.9
99.08087	16.1
105.07039	4.1
107.08581	18.6
109.02895	1.5
109.06451	1.9
109.10149	50.5
110.10477	1.7
111.08072	5.5
111.11722	22.1
121.06461	1.9
121.10135	18.4
123.11706	24.8
125.09628	2.2
125.13280	8.4
127.11200	1.6
131.08565	2.8
135.11673	7.9
137.05968	11.3
137.13246	15.4
139.11182	4.9
147.04451	1.7
149.09612	6.1
149.13237	21.1
151.14825	9.1
153.12756	1.4
163.03841	1.4
163.14824	5.9
165.16405	5.8
167.10788	1.7
167.14345	3.7
179.17953	2.6
184.16980	5.3
187.07585	3.7
190.07677	3.1
191.08536	4.1
191.17928	1.5
205.19482	2.8
209.18954	1.5
215.10852	1.5
219.08087	6.9
219.21043	2.1
221.09525	2.7
236.08415	1.7
247.07649	2.0
249.25673	1.5
251.10687	5.1
261.08963	1.6
265.08511	1.7
266.21188	6.3
267.10336	3.0
275.27292	7.1
279.06558	1.4
279.10254	6.7
280.10645	2.0
281.08322	1.9
281.28574	2.2
293.28345	13.1
294.20560	15.1
296.10449	2.3
311.09265	2.0
311.12494	11.7
311.29437	61.7
312.21680	1.7
312.29736	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	312.123
Annotation	Nordomesticine
Peak:m/z	Relative Intensity
67.05489	1.3
67.85988	1.2
69.07063	1.3
70.10222	5.6
79.57777	1.1
81.07059	2.4
91.05476	3.2
93.07074	1.4
98.20773	1.3
107.04966	2.3
109.06498	1.3
119.04934	4.7
134.22815	1.2
137.05969	14.8
138.06313	6.6
147.04399	11.9
151.03900	4.7
151.07568	2.6
156.08096	3.3
161.05922	1.1
162.06239	1.5
165.07071	2.3
171.07985	1.6
176.06329	1.5
177.06961	1.5
178.07788	14.0
179.08562	3.8
187.07430	1.5
188.07820	4.2
189.06978	4.1
190.07744	4.7
191.08264	5.5
192.08910	5.8
194.07278	3.6
195.08014	1.2
200.74934	1.4
202.07724	1.5
204.05757	1.6
205.06444	8.9
206.07266	16.2
207.07848	2.4
208.08586	2.1
209.09570	3.9
217.06438	1.7
218.05211	1.3
218.07260	6.4
219.08018	14.4
220.08415	10.0
221.09621	66.8
222.06837	2.6
222.09926	2.7
224.08311	2.4
225.09097	2.4
226.12422	1.5
233.05934	4.4
234.06676	17.5
235.07469	4.6
236.08260	2.4
236.10687	5.7
237.09079	14.2
238.09415	1.2
238.11858	1.2
239.10690	1.3
247.07536	22.8
248.07973	3.7
249.09105	82.5
250.06334	1.5
250.09421	4.0
251.07138	2.9
251.10617	1.7
252.07887	4.3
252.11002	15.7
253.08720	2.9
254.09160	2.0
254.11772	10.6
263.07117	5.9
264.07663	2.3
264.10275	4.3
265.08524	20.8
266.09119	1.4
267.10153	100.0
268.10559	4.9
277.08621	12.1
279.09103	1.8
280.07465	1.4
280.10468	13.6
281.10925	1.3
282.11276	4.2
290.25119	1.4
294.11209	26.8
295.09616	84.9
296.09943	5.1
297.10629	2.0
312.08890	1.8
312.12482	35.9
313.11148	5.8
313.14777	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2216
Annotation	Porrigenic acid
Peak:m/z	Relative Intensity
53.03942	5.3
55.01622	5.0
55.01873	72.3
55.05514	51.3
57.03430	8.2
57.07074	13.5
66.46601	2.5
67.05504	61.4
69.03423	6.5
69.07062	27.7
70.26527	13.5
71.04993	8.5
71.08629	30.7
79.05502	27.2
81.03426	11.6
81.07054	45.0
83.04991	18.7
83.08619	12.8
85.02919	6.5
85.06557	6.3
91.05485	29.0
93.07037	34.0
95.04979	21.9
95.08603	75.1
97.02906	3.5
97.06532	7.3
97.10177	13.0
99.04480	8.9
99.08096	26.5
101.06014	3.1
105.07019	14.2
107.04967	31.0
107.08586	18.6
109.06545	9.5
109.10169	29.8
111.04473	8.9
111.08098	4.3
113.06029	3.5
117.07057	5.3
119.04913	3.8
119.08598	19.7
121.02886	6.3
121.10152	12.7
123.04463	3.6
123.08074	9.4
123.11709	3.6
125.06048	4.6
125.09632	100.0
127.11304	4.2
131.08574	10.4
133.10117	11.8
135.08054	15.1
135.11705	10.2
137.09615	22.8
139.11165	4.5
143.08615	3.2
145.10124	7.8
147.04419	11.9
149.09596	9.3
149.13312	8.7
151.11189	37.6
153.05510	4.3
153.12764	3.3
155.10684	32.2
159.11723	7.8
161.09641	3.2
163.11183	6.4
165.12738	4.5
167.10667	5.6
167.14386	5.0
169.12178	3.5
173.13257	2.9
177.12737	24.9
179.10741	5.2
181.12282	12.6
183.08061	3.5
191.10509	3.5
191.14351	9.8
195.13750	20.5
199.07504	7.6
209.11662	28.2
219.08078	2.9
229.19498	7.4
234.25334	3.0
237.09099	8.3
237.11290	24.7
247.07539	7.7
247.20583	12.5
248.07565	2.9
251.06934	4.1
255.12231	6.3
257.19131	11.6
265.08591	5.3
265.21677	5.2
275.20041	50.9
293.21078	76.0
293.24258	4.7
294.21420	5.5
299.02774	2.8
300.28799	3.1
311.09244	8.6
311.13141	3.1
311.16446	10.1
311.22214	5.0
311.25729	14.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2579
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73936	1.2
55.01871	1.8
55.05503	8.5
56.35282	1.2
57.03434	1.5
57.07062	5.3
59.33527	1.1
65.03945	1.6
67.05170	2.4
67.05505	32.6
69.03414	1.5
69.07067	14.7
70.12252	6.5
71.04998	2.9
71.08630	100.0
72.08967	1.7
77.92251	1.1
79.05486	14.7
81.07053	46.1
83.04975	3.8
83.08612	10.2
85.06541	2.0
85.10191	1.4
91.05479	15.0
93.07046	13.7
95.04972	2.7
95.08605	33.5
97.06519	5.7
97.10166	4.6
97.85068	1.1
99.08093	89.6
105.07034	14.7
107.04958	3.6
107.08587	13.4
109.06537	2.2
109.07917	1.4
109.10142	10.7
111.08071	3.1
111.11775	1.2
117.06985	2.2
117.09149	1.9
119.04913	1.8
119.08568	11.2
121.10140	8.6
123.08060	3.5
123.11724	7.2
125.05964	1.4
125.09654	2.1
127.11196	6.0
131.08575	8.6
133.10187	1.6
135.04446	2.5
135.11682	8.8
137.13246	3.7
139.11234	1.8
141.09100	1.7
141.12718	2.2
143.10660	1.6
145.10133	5.8
146.10405	1.2
147.04369	2.4
147.11687	39.6
148.12061	1.6
149.09630	2.1
149.13275	3.8
151.11217	2.0
151.14804	2.9
153.12753	6.5
157.12192	2.0
159.10243	1.1
159.11694	2.3
161.09514	1.7
161.13332	3.4
162.53217	1.2
163.11179	6.9
163.14795	11.5
165.12726	11.8
166.52905	1.5
167.14305	4.5
173.13234	5.7
177.16371	3.2
179.14293	1.3
181.15831	9.9
187.14874	2.9
209.11745	2.8
209.15369	2.3
223.16945	2.2
233.22569	2.9
237.11230	1.5
243.21083	15.7
251.23874	1.7
261.22119	25.9
279.23187	76.9
280.23428	2.2
293.24741	4.3
311.16165	2.6
311.25858	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	311.2217
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
52.10336	2.1
53.03963	2.6
55.01873	8.8
55.05519	13.8
57.07055	4.1
59.09874	2.4
67.05503	19.7
69.03432	3.0
69.06725	2.8
69.07069	42.6
71.05004	4.8
71.08627	2.9
71.60472	2.8
77.31752	1.9
79.05479	16.3
81.03409	5.4
81.07054	22.0
83.04984	12.5
83.08616	6.1
83.37366	2.1
85.02879	3.0
91.05466	18.0
93.07040	18.1
95.04971	31.6
95.08607	17.4
97.06530	9.3
97.10148	5.8
99.04456	3.4
105.07030	12.7
107.04923	11.8
107.08604	12.4
109.06506	8.1
109.10152	8.2
111.04465	18.0
111.08145	3.1
117.07011	3.5
117.54494	2.0
119.04936	10.3
119.08580	10.4
121.02884	3.2
121.06501	6.6
121.10152	10.4
123.04392	5.2
123.08069	5.5
125.09637	4.6
131.08565	7.7
133.10130	10.2
135.08072	9.8
135.11696	6.1
145.10133	6.8
147.04396	40.5
147.11642	3.2
148.04741	4.5
149.08347	3.6
149.09598	5.0
149.13359	3.0
151.11125	3.7
159.11708	6.5
161.09641	3.9
167.14243	3.4
175.03720	2.5
177.12776	6.2
183.11684	2.9
185.14120	2.6
192.10237	4.8
204.13765	2.6
205.12242	2.7
207.13773	4.6
209.11618	2.8
219.13811	2.6
223.07474	3.0
223.13394	3.3
225.14838	2.8
231.30905	2.3
237.11234	3.2
237.14832	42.4
237.24895	2.6
241.14377	3.8
248.16498	6.5
251.06995	2.6
257.18823	3.8
262.96210	2.4
265.07492	5.4
275.20050	32.8
293.17807	4.9
293.21109	100.0
294.21417	4.6
311.12515	3.9
311.16214	6.0
311.22055	3.2
312.12320	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	311.2217
Annotation	trans-EKODE-(E)-Ib
Peak:m/z	Relative Intensity
52.59246	0.6
55.01861	1.4
55.05259	0.6
55.05509	7.0
57.03437	0.9
57.07070	2.2
59.64614	0.5
62.64888	0.6
67.05506	8.0
69.07052	2.7
70.96816	0.5
71.08629	10.7
71.60434	1.1
79.05486	4.8
81.07051	6.9
83.04993	1.1
83.08610	3.3
85.06590	0.8
91.05489	4.0
93.07057	3.9
93.50169	0.6
95.04979	2.9
95.05849	0.5
95.08615	4.1
97.06534	1.0
97.10175	5.2
99.08103	4.9
105.07020	4.2
107.04955	6.0
107.08588	3.9
108.05759	1.1
109.06504	2.3
109.10129	1.6
111.04404	0.7
117.06989	1.4
119.04917	0.9
119.08566	2.0
121.02898	1.3
121.06493	3.1
121.10114	0.7
123.11641	0.8
125.09631	3.1
131.08582	1.6
133.10101	1.7
135.08076	1.2
135.11642	0.9
137.09575	0.8
145.10115	1.3
147.04404	2.6
147.11656	0.6
149.09599	0.7
149.13301	0.9
151.11162	1.7
153.05487	1.1
159.11636	0.8
165.12769	3.2
177.12766	1.7
189.11200	1.7
191.14381	0.6
209.11694	4.6
223.07552	0.6
237.09079	1.4
237.11214	3.5
237.14963	1.0
247.07506	1.0
251.07092	0.7
255.12148	1.2
265.21567	0.8
275.20035	6.2
293.21097	100.0
294.21387	3.9
311.09116	1.5
311.25790	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2216
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
51.43216	2.2
53.03941	5.4
55.01878	4.0
55.05506	24.6
57.03427	4.2
57.07065	7.1
65.03925	2.9
67.05503	55.6
69.03419	9.3
69.07066	12.6
69.48038	10.4
69.48465	7.9
70.04076	29.4
71.05001	15.7
71.08633	45.8
79.05502	23.5
81.03429	12.2
81.07053	29.3
83.04991	15.0
83.08615	6.8
85.02895	14.5
85.06528	6.0
91.05475	20.9
93.06536	3.2
93.07043	31.2
93.78386	1.8
95.04973	15.4
95.08608	81.1
95.73973	1.8
97.02852	3.2
97.06509	6.9
97.10148	5.9
99.04456	3.6
99.08095	33.0
101.06041	3.4
105.07042	13.0
107.04931	3.9
107.08598	10.9
109.06506	4.7
109.10154	43.6
111.04412	2.4
111.08054	4.0
113.06010	4.2
117.07018	6.0
119.04939	9.4
119.08598	21.2
121.06467	2.8
121.10162	10.5
123.08077	10.6
123.11709	2.3
125.09630	4.0
127.11178	5.1
129.06973	2.1
131.08557	7.5
133.10129	10.9
134.99667	2.4
135.08055	3.5
135.11696	4.4
137.05977	2.7
137.09636	24.7
139.11174	42.2
144.20215	2.1
144.21426	2.0
145.10091	3.8
147.04391	30.7
147.08061	2.1
149.05948	5.0
149.09605	5.0
149.13280	3.0
151.11192	37.4
155.10667	69.4
159.11679	7.4
161.09599	12.1
161.10779	2.4
165.12711	4.9
167.06934	2.4
167.10757	3.9
169.12245	3.3
170.15933	2.1
173.11729	17.0
177.12747	17.7
179.10652	7.3
179.55528	2.3
183.13875	2.2
187.11220	2.6
191.14326	8.3
195.13780	8.5
219.07945	3.3
247.20506	4.5
251.20102	2.5
257.19046	5.3
265.21661	5.3
275.20071	33.4
279.10165	4.7
293.21097	100.0
311.12714	3.9
311.22171	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	311.2215
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	1.0
55.05264	0.5
55.05507	6.4
57.03447	0.6
57.07067	2.4
65.03922	0.5
67.05172	0.5
67.05499	6.9
68.05811	0.5
69.03432	0.8
69.07066	3.3
71.04981	0.4
71.08629	9.3
71.59464	0.4
71.59852	0.5
79.05486	5.0
81.03416	0.6
81.07056	8.3
82.07397	0.4
83.04956	1.0
83.08630	2.7
85.02897	0.5
85.06532	0.6
91.05482	3.7
93.07036	4.1
93.37872	0.3
95.04953	2.6
95.08604	5.0
97.06535	1.2
97.10152	3.9
99.08097	4.3
102.66983	0.3
105.07023	4.1
107.04937	4.5
107.08591	3.9
108.05731	0.8
108.85452	0.4
109.02871	0.4
109.06531	1.8
109.10156	1.9
111.04409	0.8
111.08027	0.6
113.06021	0.3
117.06999	1.5
119.04947	1.1
119.08550	1.7
121.02840	0.9
121.06492	3.7
121.10124	1.6
123.04414	0.7
123.08080	0.4
123.11713	0.7
125.05999	0.5
125.09623	2.9
131.08594	1.7
133.10133	2.1
135.04445	0.5
135.08025	0.7
135.11656	0.6
143.08559	0.4
143.10640	0.4
145.06487	0.5
145.10106	1.5
147.04413	4.1
147.11681	1.0
149.09666	0.4
149.13252	0.6
151.11168	1.0
153.05464	1.0
157.10074	0.4
159.11678	1.0
163.11160	0.8
165.12732	3.1
169.10173	0.4
171.11662	0.6
173.06119	0.4
173.11769	0.5
177.12741	1.4
179.22240	0.4
181.12172	0.6
189.11197	1.5
191.10669	0.7
191.14264	0.4
199.07555	0.5
209.11710	4.9
223.07578	0.4
223.15221	1.0
237.09061	1.2
237.11217	4.2
246.89732	0.4
247.07581	1.1
247.20549	0.5
255.12305	1.6
265.08536	1.0
265.21594	0.8
275.20047	5.1
293.21082	100.0
294.21420	4.5
311.09079	1.8
311.12604	0.5
311.15961	0.5
311.19144	0.5
311.25555	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2216
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
53.03950	3.4
55.01877	5.0
55.05510	40.8
57.03444	6.3
57.07072	12.0
57.80703	2.1
57.89806	2.4
57.94938	2.2
59.05000	2.4
67.05507	54.8
69.03429	5.9
69.07066	65.4
70.07401	2.5
71.05004	5.1
71.08650	3.3
71.48521	3.7
72.04496	2.2
77.18366	2.2
79.05491	37.3
81.03428	6.2
81.07058	93.9
82.07406	2.9
83.04991	7.8
83.08620	33.8
85.02919	2.5
85.06542	16.1
91.05481	37.9
93.02728	2.3
93.07052	44.3
95.04989	10.3
95.08609	71.9
97.06525	11.4
97.10170	24.1
99.08128	8.2
103.05469	2.3
105.07040	37.4
107.04993	7.1
107.08596	32.5
109.06532	5.3
109.10160	50.1
111.08108	7.7
111.11751	8.6
113.03577	2.7
117.07023	10.5
119.04946	5.8
119.08587	36.7
119.09356	3.2
121.06518	5.9
121.10147	31.8
123.04356	2.4
123.08093	5.4
123.11705	16.5
125.08784	2.8
125.09592	12.0
125.13298	4.2
127.11224	2.2
129.06960	2.4
131.08575	18.3
133.06511	2.6
133.10136	28.4
133.11049	2.7
135.08078	3.6
135.11714	15.1
136.24268	2.2
137.05994	13.2
137.09648	6.0
137.13304	8.2
139.11227	4.3
143.08617	2.3
144.28215	2.5
145.10107	18.8
147.04390	21.3
147.08052	4.6
147.11688	13.7
149.09610	19.3
149.13307	10.1
151.11211	6.0
151.14880	5.1
155.08609	3.7
157.10144	6.4
158.27446	2.4
159.11703	12.0
161.09624	2.5
161.13254	6.2
162.64505	2.0
163.03955	4.9
163.11230	8.3
163.14864	3.3
164.04266	2.4
167.14360	3.3
171.11729	4.9
173.09554	2.7
173.11830	5.2
173.13284	6.4
177.12805	4.7
181.12253	2.6
183.11716	5.7
187.07555	5.1
187.11310	2.7
189.11237	5.7
190.07845	2.9
191.08630	3.7
192.18831	2.2
197.13303	4.4
197.90198	2.5
199.14912	3.3
213.16473	3.6
215.17842	2.4
219.08080	8.5
221.09662	3.2
229.19623	4.6
235.16957	4.0
236.08366	4.5
239.18039	7.3
249.09097	3.3
251.07086	2.7
251.10687	7.1
257.18915	14.5
265.08655	3.7
265.21716	2.7
267.10175	4.2
275.20074	100.0
276.20370	5.0
279.10269	6.9
280.10526	2.9
293.21091	27.8
293.28302	4.6
311.09290	5.1
311.12842	12.1
311.16400	6.7
311.22498	4.0
311.29425	23.8
312.12488	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	311.1487
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79385	1.1
53.03947	2.5
55.01866	2.6
55.05502	1.7
55.87743	1.1
57.03435	8.4
59.04993	1.2
61.02914	2.5
65.03925	2.8
67.05495	2.3
69.03426	20.0
69.07059	2.5
70.03802	1.2
70.99916	2.8
71.01357	2.4
71.04981	3.6
73.02921	6.2
73.36520	1.1
79.05486	6.0
81.03419	10.8
81.07059	7.7
83.04986	4.1
83.08629	2.1
84.37802	1.1
85.02900	16.9
91.05472	23.7
92.34184	1.3
93.07047	14.0
95.04977	4.4
95.08601	2.2
97.02888	9.6
99.04443	4.9
103.05463	3.2
105.07028	17.8
107.04972	7.1
107.08595	6.3
109.02913	6.7
109.06516	50.3
109.10157	2.8
111.04440	2.0
115.03915	4.0
115.05355	1.4
116.06255	1.7
117.07008	1.9
119.04980	1.7
119.08581	5.5
121.06499	77.3
121.10126	26.2
121.10998	1.6
123.08047	3.0
123.11699	3.5
125.06017	2.0
125.09646	1.6
127.03924	15.9
129.06975	1.6
131.04913	2.3
131.08575	4.7
133.04956	4.9
133.06502	5.0
133.10133	4.2
134.37971	1.1
135.08057	3.4
135.11697	1.4
137.05951	2.7
137.09634	11.3
139.11205	1.7
143.08525	1.5
145.06465	2.6
145.10106	6.8
147.08034	4.9
149.05957	5.4
149.09613	100.0
150.10004	1.7
151.07579	1.5
151.11198	2.1
157.10115	1.8
159.08096	4.7
159.11652	1.5
161.09625	6.6
163.11166	6.6
167.10672	35.1
167.12083	2.0
173.09607	5.2
175.11174	4.6
179.05424	1.1
179.10681	1.4
185.09685	1.6
187.11110	2.0
191.10666	10.0
199.11195	1.7
203.10730	3.8
209.11632	1.9
215.10699	2.1
221.11697	2.0
227.10655	1.5
233.11736	2.6
245.11652	2.9
257.11713	2.2
263.12802	2.0
275.12640	2.8
293.13931	1.2
311.14883	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	311.1488
Annotation	Bidenoside C
Peak:m/z	Relative Intensity
50.97758	1.8
53.03935	4.5
55.01863	7.3
55.05510	3.3
56.96526	1.9
57.03436	10.4
58.76178	2.2
61.02922	10.6
61.43986	1.6
65.03952	3.0
67.05505	8.9
67.05825	1.6
67.63337	1.8
69.03429	30.7
69.07058	5.5
70.06572	2.5
70.96291	4.5
71.01359	2.3
71.04982	6.8
73.02894	4.1
73.15040	1.7
79.05494	15.3
81.03423	15.2
81.07056	12.7
83.04964	6.7
85.02904	43.0
85.07670	21.4
87.04458	3.4
91.05481	33.4
93.07040	51.0
95.04968	17.9
95.08596	6.6
97.02879	14.8
97.06511	5.0
99.04453	6.2
99.21702	2.0
103.03952	4.3
103.05465	58.0
104.64606	1.7
105.03378	5.2
105.07027	25.1
107.04989	11.3
107.08585	15.2
109.02880	4.0
109.06515	14.6
109.10155	2.2
111.04427	3.5
112.03640	1.7
113.06023	4.0
115.05457	2.7
116.06242	5.1
117.07042	3.1
119.08579	13.9
121.06499	25.0
121.10149	72.3
122.10477	1.9
123.04429	11.7
123.08056	5.9
123.11722	11.4
125.05957	3.5
127.03909	12.2
129.06998	6.8
131.04927	77.6
131.05933	3.9
131.08569	55.2
132.05272	2.0
133.06479	7.6
133.10141	7.1
134.84660	2.1
135.04431	6.8
135.08037	11.8
137.05966	7.6
137.09593	2.8
139.11171	2.6
141.05482	3.8
143.08620	2.5
145.04985	6.5
145.06470	6.2
145.10114	7.7
147.04439	2.8
147.08037	9.6
147.11610	2.4
149.05986	80.2
149.09619	100.0
150.06340	2.2
151.11162	8.2
153.05472	4.7
153.09161	2.8
155.08595	3.4
157.06316	2.1
157.10098	4.0
158.07240	3.4
159.08072	8.5
159.09180	3.2
161.06024	4.1
161.09616	12.2
163.03894	13.8
163.07492	3.5
163.11176	2.0
164.04320	8.5
167.07042	2.5
167.10643	9.2
173.09615	9.9
173.10896	2.4
175.07558	3.1
176.08987	1.9
177.10265	3.2
185.09592	3.2
187.07556	4.7
187.11226	3.0
189.09200	2.0
191.07008	2.5
191.10631	6.0
197.09578	2.6
205.12524	1.9
209.11758	3.7
213.08975	2.4
215.10614	2.9
219.08041	2.1
229.12234	2.6
257.11688	3.9
275.12817	4.3
279.09964	2.8
293.14151	3.6
311.15436	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	311.1277
Annotation	7-Hydroxy-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-2-one
Peak:m/z	Relative Intensity
55.01850	0.3
58.06585	0.6
69.03408	0.5
69.07060	0.3
70.09055	1.2
71.04980	0.4
71.26191	0.3
74.26303	0.3
74.27740	0.3
79.05469	0.7
81.03451	0.3
81.07061	0.5
83.61893	0.3
85.02893	0.6
91.05440	0.6
93.07031	1.3
97.02889	0.7
100.11258	0.7
105.07018	0.7
107.04945	1.6
109.06535	0.3
116.98634	0.3
117.06997	0.5
121.10133	1.5
123.04415	0.3
131.08572	0.5
133.10059	0.4
137.05978	2.1
147.04399	0.6
148.64839	0.4
149.06027	0.4
153.06938	0.5
161.05992	0.4
163.03932	0.6
165.06937	2.8
166.07796	0.7
167.08533	0.6
174.06789	0.4
177.06863	0.5
178.07753	3.3
179.08537	2.8
180.09274	1.2
181.06479	1.0
187.07573	0.7
189.06972	2.2
189.09001	0.7
190.07770	3.9
191.08524	12.4
191.10303	0.6
192.09213	1.4
193.06488	3.0
193.10153	0.9
194.07227	2.0
195.07965	0.9
197.05963	0.4
201.09082	0.3
202.07663	1.5
203.08484	1.4
205.06483	3.3
205.10092	0.4
206.07251	4.9
207.06203	0.6
207.08037	7.6
208.08829	5.6
209.09592	1.8
210.06691	0.5
217.06511	0.5
218.07259	3.9
219.08035	11.8
220.08812	3.7
221.06032	4.1
221.09488	3.3
222.06754	2.3
222.10255	0.6
223.07451	1.5
223.11102	2.3
224.08192	0.4
225.09071	0.8
227.06961	0.4
231.08037	5.3
233.05940	1.9
233.09590	0.9
234.06680	2.1
235.07516	13.9
236.08301	36.0
237.05394	0.6
237.09048	11.3
238.06218	7.4
238.09586	0.5
246.06693	1.6
247.07523	22.6
248.08304	36.3
249.05554	1.4
249.08920	4.6
250.06270	0.4
250.09769	1.0
251.06999	0.7
251.10654	15.1
252.07880	0.5
252.11049	0.9
253.08583	10.4
254.09056	0.7
261.09103	1.3
262.09808	1.3
263.07043	6.9
263.09769	0.3
264.07788	42.6
265.08554	34.1
266.05743	1.3
266.08994	2.1
267.10281	2.0
268.10794	0.4
277.08569	1.2
278.09341	1.5
279.10141	100.0
280.10858	25.6
280.14151	0.5
281.08087	19.2
281.11218	1.3
282.08322	1.1
293.13953	1.8
295.09714	1.2
296.10413	25.5
297.10715	1.5
311.09470	2.3
311.12738	49.6
312.12930	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	311.1279
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	0.4
55.05496	1.2
56.97820	0.3
57.03438	0.4
57.03743	0.3
57.07074	2.2
65.03931	1.0
67.05496	1.9
69.07052	1.8
69.27563	0.8
69.27976	2.7
71.08613	1.0
79.05496	1.1
81.07057	2.1
83.04980	0.7
83.08615	1.2
91.05477	12.3
93.07057	1.8
95.04974	0.4
95.08598	1.7
97.10165	1.2
99.08089	0.6
105.07042	0.5
107.04944	1.6
107.08585	1.4
109.06535	0.4
109.10151	0.9
111.04454	0.9
119.04945	29.1
119.08572	0.6
120.05264	0.8
121.02889	0.4
121.06528	0.3
121.10129	1.1
125.06025	0.4
125.09595	0.8
131.04971	0.4
131.08553	0.4
135.04433	0.5
135.11714	0.5
147.04408	100.0
148.04779	2.9
153.05501	1.1
163.11217	0.4
171.08130	0.5
177.12747	0.3
181.12242	0.4
183.08011	0.6
199.07570	0.8
209.09743	0.8
209.11703	5.1
237.09067	0.6
237.11179	4.5
255.12231	1.1
275.20102	0.8
293.11813	0.4
293.17804	0.7
293.21072	6.6
311.09106	0.8
311.12640	0.5
311.16064	0.6
311.25864	3.1
319.38379	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1276
Annotation	Porphyrin
Peak:m/z	Relative Intensity
55.01867	1.1
63.67935	0.7
71.04770	2.1
71.74018	0.7
79.05484	3.6
81.07059	2.1
85.02956	0.7
91.05487	6.0
93.07031	1.0
94.04195	3.6
95.04980	1.0
103.05446	1.8
105.07015	8.5
107.04934	1.9
109.06516	6.7
115.05433	2.8
116.06248	1.8
121.06493	1.9
121.10144	1.7
122.03643	10.0
128.06194	2.5
129.07028	5.2
131.04909	2.0
131.08516	1.5
133.06476	7.6
135.04382	0.8
137.05974	100.0
138.06314	1.8
144.05696	4.2
145.06476	2.2
146.03632	1.0
147.04419	2.7
148.04843	0.9
149.05962	6.7
149.09543	1.0
151.07527	1.4
155.04932	7.8
155.06073	1.2
156.05669	1.1
157.06523	1.0
159.08020	9.4
161.05974	14.6
163.03999	1.0
163.81200	0.8
165.06935	4.2
167.07056	1.0
172.05180	3.6
175.07538	2.8
178.07785	2.8
179.08566	2.3
180.09308	1.8
187.07538	30.1
188.07999	2.0
189.07030	6.8
189.08952	1.5
190.07759	26.1
191.08545	54.0
192.08966	2.2
193.06499	1.4
194.07262	1.3
195.07967	1.1
201.06978	1.5
202.07773	2.9
203.08546	2.6
205.06480	4.1
205.10060	1.0
206.07242	2.7
207.08051	6.2
208.08842	8.0
209.09634	1.1
217.06471	1.8
218.07268	18.5
218.09286	1.5
219.08043	77.3
220.08754	8.8
221.05995	2.5
221.09628	9.5
223.07576	1.4
225.09180	1.6
226.12170	1.1
229.07643	1.0
233.09657	2.6
234.06755	3.1
235.07518	7.5
236.08331	16.1
236.10556	1.7
237.09126	5.0
246.06819	2.3
247.07529	30.3
248.08173	5.8
249.05626	1.3
249.09134	10.1
250.09825	1.7
251.10669	97.4
252.08180	1.1
252.11015	4.5
253.08618	7.6
254.11761	1.6
261.09079	4.5
263.06976	2.5
264.07751	10.0
264.10178	0.9
265.08560	7.7
267.10150	14.2
268.10959	1.9
277.08612	2.2
279.10150	78.0
280.10715	8.1
281.08054	10.0
282.08429	2.0
283.05981	1.1
283.13251	2.3
294.11176	5.0
295.09665	12.4
296.10422	11.2
311.12790	85.0
312.12787	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	311.1276
Annotation	Porphyrin
Peak:m/z	Relative Intensity
55.01856	1.2
55.28013	0.7
55.53581	0.6
67.05475	0.7
69.03413	1.0
70.75115	2.3
79.05480	3.3
81.07056	2.6
89.03897	1.0
91.05474	4.9
93.07059	1.8
94.04182	4.0
95.04956	2.0
103.05464	1.5
105.03457	1.1
105.07040	7.5
107.04942	7.7
109.06509	5.2
115.05451	2.4
116.06264	1.2
117.03422	0.8
121.06511	2.5
121.10149	1.5
122.03647	9.5
123.04416	1.0
123.48426	0.6
128.06238	1.8
129.07021	4.2
131.04910	2.3
131.08559	1.6
133.06496	5.4
135.04471	1.4
137.05972	100.0
138.06337	1.5
143.04991	1.0
144.05737	4.0
145.06442	2.0
147.04410	1.0
147.08044	1.2
149.06000	5.2
149.09605	1.1
151.07509	1.4
155.04915	8.1
159.08058	7.7
160.05212	0.7
161.05978	13.4
163.03893	3.1
164.04305	1.4
165.04408	1.5
165.07021	3.4
166.07803	0.7
172.03915	0.7
172.05179	4.0
172.44568	0.7
175.07539	4.4
179.08597	1.4
180.09338	1.2
181.06451	1.0
187.07542	30.8
188.08197	1.2
189.07034	4.3
189.08995	1.8
190.07765	20.6
191.08556	52.0
192.08981	1.6
193.06461	1.1
194.07159	0.7
195.07982	1.0
202.07846	1.9
203.08456	1.7
205.06514	3.5
207.08023	6.1
208.08844	7.9
209.09555	0.9
217.06555	1.0
218.07271	13.4
219.08046	67.7
220.08723	8.7
221.05978	2.8
221.09547	1.3
222.06715	1.0
225.09145	1.5
231.08044	0.8
233.09660	3.0
235.07533	9.5
236.08305	15.7
237.09013	5.2
246.06776	2.4
247.07541	28.9
248.08183	5.3
249.05565	2.1
249.09088	2.2
250.09866	0.8
251.10664	86.2
252.08011	0.6
252.10974	3.9
253.08611	8.3
261.09015	4.6
263.07016	2.7
264.07813	12.0
265.08551	7.3
267.10172	1.2
268.10895	2.2
277.08417	0.9
278.09335	1.4
279.10156	80.9
280.10776	12.3
281.08096	12.3
281.11044	0.7
282.08701	1.0
283.09830	1.1
283.13156	1.7
293.11487	1.8
295.09613	2.1
296.10400	12.6
297.10818	1.5
311.12772	97.6
312.13126	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	311.1276
Annotation	Porphyrin
Peak:m/z	Relative Intensity
50.07979	0.5
55.01868	1.2
56.73563	0.6
67.05514	0.8
69.03423	0.9
69.90207	3.4
73.05987	0.5
79.05516	2.8
81.07050	2.5
85.02901	0.7
85.06499	0.7
85.52129	0.5
89.03949	0.6
91.05492	3.9
93.07051	1.7
94.04193	3.1
95.04944	1.2
95.08612	1.2
101.17200	0.6
102.03821	0.7
103.05462	1.6
105.07028	5.5
107.04945	5.3
107.08609	0.7
109.06506	4.3
115.05443	1.5
116.06234	1.0
119.08545	0.8
121.06515	1.4
121.10172	0.8
122.03653	9.7
122.72182	0.6
123.04347	0.7
128.06241	1.6
129.07018	4.5
131.04922	2.1
131.08560	1.2
133.06483	5.0
135.04414	1.4
137.05977	91.3
138.06294	2.5
144.05713	2.5
145.02805	0.7
145.06436	1.7
146.03651	0.8
147.04410	1.5
149.04990	0.6
149.05980	5.3
149.07335	1.3
149.09596	0.9
151.03891	0.6
151.07529	1.4
155.04922	8.3
155.06050	0.8
156.05690	1.3
159.08055	6.2
161.05988	11.0
162.06441	0.6
163.03920	3.9
163.07510	0.9
165.06953	2.6
167.07068	1.3
171.04378	0.8
172.05199	2.2
175.07515	4.3
179.08578	1.1
180.09319	1.4
181.06448	0.8
182.49570	0.6
187.07547	26.2
188.07994	1.3
189.06955	5.7
189.08662	0.8
190.07759	19.5
191.08553	39.0
192.08958	2.4
193.06493	0.6
194.07231	0.7
201.07039	1.2
202.07826	2.3
203.08588	0.7
205.04886	1.2
205.06493	1.7
205.10152	1.0
207.08034	4.9
208.08836	5.7
209.09460	0.8
217.06416	0.6
218.07280	12.2
219.08051	60.0
220.08676	7.8
221.06021	1.9
221.09456	0.6
223.11200	1.3
225.09068	1.7
231.08047	1.2
233.09692	1.9
235.07529	6.5
236.08307	12.9
237.09032	4.1
238.06053	0.8
240.07710	0.9
246.06693	1.6
247.07541	26.9
248.08217	4.8
249.08864	0.9
250.06325	1.0
250.09987	1.0
251.10664	82.3
252.10902	5.7
253.08617	7.0
261.09085	3.0
262.09677	0.7
263.06961	2.3
264.07800	9.5
265.08566	5.5
265.11313	0.7
265.12173	0.6
267.07022	0.7
267.10049	1.7
268.10965	1.6
278.09369	1.4
279.10162	73.7
280.10696	8.8
281.08093	9.7
281.11099	0.8
282.08368	0.7
283.09781	1.1
283.13254	1.5
284.13657	0.6
293.11606	1.2
295.09714	1.8
296.10440	12.7
297.10779	1.1
311.12762	100.0
312.09628	1.0
312.13058	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	311.0738
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22911	0.5
53.03941	0.5
56.21970	0.4
56.96562	0.7
57.03432	0.9
62.33179	0.4
65.04527	0.5
66.18945	0.4
67.05488	0.5
69.03414	2.2
69.07070	1.0
70.83290	1.0
70.83640	0.8
71.04959	0.5
73.02914	0.5
79.05470	0.5
81.03408	0.9
81.07058	0.7
85.02905	2.8
91.05484	1.0
93.07032	0.5
95.04951	0.6
97.02869	1.3
98.97571	0.8
103.05461	0.4
105.03378	0.8
105.07053	1.0
107.04932	1.2
107.08591	0.9
109.06515	0.5
115.45979	0.4
116.98595	0.6
121.06488	1.6
121.10138	0.9
127.03916	1.1
131.04922	0.9
133.10185	0.5
134.99614	0.6
137.05983	1.4
143.00302	0.4
145.52859	0.4
148.01387	0.4
149.02092	21.5
149.06020	0.7
149.09630	0.7
161.01263	0.5
167.06979	0.5
185.02922	0.9
185.04274	5.8
185.58151	0.5
191.07005	0.6
200.36760	0.5
203.03964	0.6
211.37120	0.4
237.02753	0.6
237.11072	0.6
269.05377	0.7
311.07364	100.0
312.07767	3.1
315.14230	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1124
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.0
55.01861	4.5
55.05496	2.3
56.96554	3.5
57.03439	15.7
59.04980	2.0
61.02919	5.9
62.04985	1.3
65.03928	1.4
65.84010	1.4
67.05502	3.4
69.03429	50.4
69.07045	1.7
69.10520	1.3
70.61789	1.3
70.98058	4.3
71.01335	4.5
71.04981	4.4
73.02929	9.7
79.05495	8.8
81.03426	14.9
81.07041	2.0
83.04982	4.1
83.15225	1.3
84.04491	3.2
84.08137	2.6
84.96030	2.1
85.02904	37.2
85.06531	2.1
86.06859	1.3
86.56786	1.5
87.04472	4.2
90.08363	1.8
91.03934	1.8
91.05470	10.6
93.07030	2.3
94.04194	2.3
95.04961	4.0
95.08595	2.7
97.02888	44.9
98.06058	2.2
98.97581	5.7
99.04448	5.8
101.02381	3.5
102.56664	1.6
103.03930	6.3
103.05470	13.2
105.03394	3.8
105.07014	3.2
107.04950	13.7
107.08596	2.0
109.02861	4.8
111.04434	4.0
115.03928	11.2
115.05464	5.9
116.98616	5.7
117.07027	4.4
119.04938	14.6
121.06526	8.7
122.03636	6.6
123.04431	5.3
127.03928	34.7
129.05455	1.9
129.07037	1.8
131.00232	2.2
131.01785	1.8
131.04921	24.1
131.07014	2.1
131.08673	1.4
133.02856	5.0
134.99646	3.3
135.04457	7.9
135.05284	1.4
137.05972	100.0
140.07072	7.0
141.06955	6.8
143.04924	5.6
144.05682	2.9
145.04924	4.6
145.06467	9.5
146.03632	1.6
146.99673	2.3
147.04393	23.7
147.93379	1.5
149.02103	4.4
149.05983	33.2
151.03874	8.3
151.07533	11.4
153.05524	1.5
155.04890	3.5
157.06430	1.8
159.04431	8.5
160.05205	8.2
161.02945	2.4
161.05975	7.3
161.07130	6.0
162.03123	4.6
162.05472	2.3
163.03850	2.7
163.07538	15.8
164.04707	3.3
165.05464	3.8
167.07059	13.4
169.06477	10.4
172.05101	1.8
173.05980	2.4
175.07547	15.8
176.04684	5.3
177.00735	2.6
177.05467	52.1
177.09039	3.1
179.07018	19.1
183.04388	2.1
185.05956	3.0
186.06808	3.2
187.07469	9.3
189.05421	5.0
190.06348	1.8
191.07018	41.8
197.05943	8.8
200.04720	2.5
201.05547	2.0
201.08983	3.1
203.07002	13.7
204.65147	1.5
205.08623	4.1
207.06540	2.6
211.07506	4.1
213.05374	3.2
214.06213	2.1
215.07039	11.7
217.08672	3.0
219.01712	2.7
221.08084	5.6
223.04239	1.9
229.08595	17.8
233.08176	9.1
237.02872	4.4
245.08151	4.7
257.07974	12.9
272.54056	1.6
275.09088	8.7
293.05762	1.3
293.10104	8.0
311.07162	21.3
311.11362	9.9
311.16122	2.4
321.08481	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.064
Annotation	Aplysinol
Peak:m/z	Relative Intensity
53.03939	2.2
55.01853	3.6
55.05502	2.3
55.58673	1.1
56.96298	1.9
56.96565	33.4
57.03431	8.1
57.07080	1.6
61.02925	7.1
67.05510	1.6
69.03429	12.8
69.07057	2.3
69.30833	2.3
69.31236	12.2
70.06560	2.9
70.98127	1.5
71.01349	1.6
71.04999	7.5
71.61243	1.1
71.95290	1.1
73.02919	12.2
74.97611	2.0
75.04458	1.6
77.26247	1.1
79.05496	2.3
81.03412	4.7
81.07052	1.7
83.04974	2.3
83.58202	1.3
84.04492	1.6
84.08131	4.1
84.96031	14.6
85.02900	23.8
85.06532	1.9
86.03230	1.8
86.09685	5.5
87.04436	2.4
91.03951	1.5
91.05471	9.4
93.07027	1.4
95.04964	1.5
95.08645	1.4
97.02885	16.4
97.96801	1.8
98.01246	1.2
98.97580	41.8
99.04430	3.4
102.97045	2.5
103.05470	1.5
105.07027	1.4
107.04976	8.9
107.08627	1.6
108.36119	1.1
109.02853	4.3
110.07190	1.3
110.97576	2.8
111.04414	1.9
112.99128	1.6
115.03976	2.5
115.97840	2.1
116.98615	48.8
117.99019	1.4
119.01917	4.0
119.04944	9.8
121.06486	8.5
125.75479	1.2
127.03913	11.2
128.02267	1.6
128.98611	8.4
131.00163	7.7
131.04938	2.2
133.01668	1.6
133.03494	1.8
133.98857	1.7
134.03606	1.3
134.99651	37.2
135.04387	2.1
136.06183	3.4
136.07574	2.2
137.02908	2.9
137.05974	18.0
137.07928	1.8
137.09576	1.5
138.05441	1.5
138.06384	1.4
140.00275	1.2
141.99373	2.3
143.00175	11.9
145.01643	1.7
145.04958	4.6
146.99661	9.1
147.04372	14.2
148.04816	1.4
149.01205	9.3
149.06064	1.5
151.07584	3.7
153.00710	4.9
154.01843	1.2
157.01691	3.0
158.01213	2.8
158.99623	10.5
161.01201	18.6
161.02718	2.1
161.05946	1.2
162.99092	1.5
163.02684	1.5
163.03879	3.7
165.00740	3.2
167.07069	1.5
170.05235	1.5
170.06567	2.0
170.99614	3.4
172.95203	1.5
173.01239	2.9
175.02739	4.4
177.00706	18.8
177.06520	1.4
178.03720	1.9
179.02293	2.1
179.07060	4.9
186.99046	1.4
187.04387	1.8
189.00656	4.0
190.98845	1.7
191.02254	8.9
191.03798	1.6
193.04283	1.8
195.01779	2.6
200.02275	1.2
201.00700	4.5
202.98718	1.3
203.02251	2.6
207.05222	2.3
208.04987	5.2
213.03381	7.1
213.05217	1.5
214.03639	1.6
217.03662	2.0
217.05479	9.8
217.55635	3.8
219.01697	9.9
219.55833	1.3
220.54404	1.2
222.03909	3.1
224.06088	1.3
233.03244	2.7
233.54662	1.4
234.99966	1.3
235.02728	2.1
237.02768	14.0
237.04787	1.6
242.04408	2.0
251.04376	10.1
253.03938	2.0
255.03827	1.4
260.04507	1.3
262.05957	1.8
269.02728	2.1
269.05444	29.8
270.05359	1.3
279.03900	1.2
286.05276	1.9
287.06464	10.4
293.05411	21.7
302.06461	3.4
305.10983	1.5
309.08667	1.8
311.06485	100.0
312.06903	4.5
312.10638	2.2
329.07681	7.6
334.08044	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	310.2374
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.6
55.05508	22.5
56.05022	5.6
57.03426	2.3
57.07067	2.5
58.22819	1.6
65.03931	4.0
67.05501	42.3
68.05003	2.0
69.07072	10.0
70.04090	1.9
70.06560	2.9
70.08093	7.0
70.38719	1.5
71.04968	3.0
71.08608	6.7
74.62706	1.4
79.05499	21.1
80.05004	7.2
81.07053	28.2
82.06549	2.0
83.04975	2.9
83.08620	15.7
85.06558	1.7
86.09724	2.0
87.55408	1.7
88.09342	1.6
91.05476	14.4
92.05022	10.4
93.05785	8.7
93.07040	22.0
94.06561	11.5
95.04965	2.9
95.08603	14.2
97.06532	2.8
97.10159	3.9
103.05477	2.8
105.07020	6.1
106.06557	17.2
107.04906	2.2
107.07330	3.6
107.08566	11.1
108.08112	5.1
109.10148	5.4
111.08055	3.1
117.07008	19.4
118.06529	5.9
119.08559	4.5
120.08109	14.9
121.02821	3.1
121.10108	3.3
131.08560	13.1
132.08064	3.2
133.10063	4.5
134.09663	10.9
135.11696	4.0
141.06969	2.9
143.30217	1.6
144.08040	2.6
145.10095	2.2
147.04401	3.4
147.11700	1.9
148.11195	4.8
150.12775	100.0
151.13216	2.0
154.12395	1.6
159.11716	10.3
166.12149	1.8
169.10176	1.6
176.14346	23.1
184.07401	3.2
186.12813	9.5
204.13843	25.7
209.11780	2.3
216.23401	1.8
222.14886	55.8
223.15211	1.9
237.11119	4.0
247.07472	3.6
265.08380	2.4
274.21674	8.9
279.64444	2.9
292.22705	82.6
293.23300	3.3
310.23788	25.1
310.31085	3.9
311.09100	4.2
311.25146	1.8
312.14713	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.2375
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	5.9
53.96124	1.3
55.01878	3.3
55.05508	19.2
56.05028	3.3
57.07073	4.4
58.06585	1.6
63.14643	1.3
65.03941	7.0
67.05504	97.9
67.33367	1.3
69.07068	16.6
70.06582	3.2
71.04981	5.6
71.08626	2.6
71.59641	3.2
71.60004	1.8
79.05060	2.8
79.05492	40.6
80.05009	4.0
81.07057	76.8
82.06577	3.8
83.04989	2.7
83.08611	9.7
83.25255	1.8
85.06548	3.5
91.05471	21.2
92.04980	9.4
93.05769	1.7
93.07044	54.5
94.06552	9.6
95.04980	5.7
95.08610	29.1
96.08123	1.8
97.06519	2.7
97.10174	3.4
103.05447	1.5
105.07021	9.4
106.06567	11.2
107.04951	6.2
107.08596	25.1
108.08115	6.4
109.06502	3.8
109.10173	10.4
110.09701	2.1
113.05996	1.9
115.05493	2.5
117.07001	15.1
119.08617	3.4
120.08092	12.5
121.06521	2.5
121.10159	9.0
122.09669	2.9
123.08090	1.6
125.05982	2.2
131.08553	13.3
132.08066	2.5
133.10110	6.8
134.09657	11.3
135.08041	2.4
135.11679	14.2
145.38052	1.3
147.04414	4.8
148.04736	2.7
148.11224	2.4
149.05960	5.4
149.13268	12.7
150.12781	15.3
153.05487	1.8
159.11702	13.7
163.03839	2.0
164.04276	3.1
174.12833	1.7
176.14337	16.6
177.12781	3.9
178.15901	4.3
179.08253	2.0
186.12830	1.9
194.15399	3.5
204.13799	3.8
206.06868	1.8
209.11670	9.9
218.15363	2.4
219.08022	4.0
222.14891	100.0
223.15172	2.1
236.07875	2.3
237.09074	3.5
237.11241	7.4
247.07516	4.8
251.06926	1.8
255.12328	2.9
264.07416	12.3
265.08514	3.9
275.19916	1.7
279.10132	1.6
292.06836	10.7
292.22702	86.0
293.07562	1.9
310.23926	7.1
311.09274	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	310.2377
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	6.5
54.84020	0.7
55.01876	5.5
55.05511	71.0
56.05033	1.9
56.40633	0.7
57.03429	2.0
57.07072	2.9
58.06601	0.9
59.05006	2.2
65.03938	5.9
65.36750	0.9
67.05504	100.0
69.03414	3.2
69.07066	19.3
70.06586	3.0
71.49438	1.1
71.49757	0.9
76.38521	0.7
79.05493	26.3
80.05017	28.5
80.05765	1.0
81.05811	7.6
81.07057	71.2
82.06578	13.0
82.07375	1.2
83.04982	4.5
83.08617	28.9
84.08133	1.3
88.42242	0.8
91.05483	10.8
93.05775	2.0
93.07042	2.7
94.06567	23.7
95.04981	1.8
95.07344	0.9
95.08611	4.3
96.04490	1.1
96.08113	1.1
97.10173	46.1
98.10509	0.9
101.09636	2.0
105.07030	13.4
106.06561	2.5
107.04934	1.6
107.07403	4.5
107.08586	12.1
108.08110	7.5
109.06496	1.1
109.10143	1.9
120.08105	1.6
121.08892	2.1
121.10118	1.8
122.09662	4.0
123.11713	4.0
125.09631	47.7
126.09945	1.1
131.08566	0.8
133.10132	3.3
138.12810	1.2
140.14336	14.3
142.49408	0.9
143.10664	8.7
150.12781	71.2
151.13170	1.3
164.14377	1.5
170.11838	1.1
191.15454	1.8
204.13852	3.3
206.18616	0.8
222.14896	2.1
236.16428	1.5
250.18056	2.1
274.21719	1.1
292.22702	78.7
293.23050	1.5
310.23813	14.5
311.09097	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.2374
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.1
53.63517	1.6
55.01878	1.9
55.05511	22.3
56.05049	7.0
56.12223	1.2
57.07057	2.5
64.31618	1.2
65.03930	3.5
67.05173	2.5
67.05507	39.5
67.39744	1.3
68.05045	2.0
68.12164	1.5
69.07066	11.9
70.06599	3.3
71.04980	2.2
71.08619	5.0
71.44197	3.1
71.96210	1.2
79.05488	23.1
80.05015	6.1
81.07058	34.3
82.06579	4.4
82.85329	1.2
83.04976	1.5
83.08626	16.0
86.09713	2.1
87.65833	1.3
91.05487	16.3
91.65723	1.2
92.05007	9.8
93.05791	10.5
93.07045	23.0
94.06580	15.5
95.04959	4.1
95.08606	14.2
97.06570	1.9
97.10164	3.1
99.08092	2.1
105.07027	8.1
106.06556	14.8
107.04947	1.8
107.07335	5.1
107.08569	8.2
108.08111	6.5
109.06558	1.8
109.10192	6.7
111.08087	3.6
115.05457	2.6
117.07022	19.9
117.44467	1.4
118.06559	5.3
119.08587	3.9
120.08122	17.2
121.08884	1.7
121.10167	1.2
122.09675	2.5
126.12772	1.8
130.06552	1.3
131.08578	12.0
132.08080	2.4
133.08968	2.2
133.10136	5.1
134.09668	9.9
135.11703	4.5
136.11172	1.5
141.06985	2.5
144.08099	2.4
144.09335	2.0
145.10095	3.3
147.04446	3.8
147.10432	1.9
147.11617	1.5
148.11201	7.3
149.13249	2.4
150.12782	100.0
154.07742	1.5
158.09615	3.8
159.11676	10.7
164.14288	1.9
166.12212	1.3
169.10135	2.9
176.14339	25.7
184.07300	2.8
186.12782	11.3
204.13847	30.9
209.11752	2.5
213.39047	1.4
222.14886	70.1
247.07501	2.5
274.21652	8.2
292.22708	92.1
293.23239	2.3
310.23764	29.8
310.31161	2.0
311.26065	1.4
333.58423	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.1435
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	3.1
61.18227	0.9
67.05495	3.8
68.05849	1.2
69.07080	1.1
71.60538	1.1
74.71696	0.9
79.43520	1.0
81.07050	2.4
85.06544	3.6
91.05494	3.3
93.07023	1.7
95.04940	4.8
95.08615	1.9
96.05324	2.1
105.07079	2.5
107.04951	1.7
107.08607	1.6
109.06509	4.6
109.10148	2.3
110.06844	1.7
113.06022	8.8
114.06351	4.4
119.04941	2.1
119.08569	1.3
121.04371	0.9
123.04401	2.1
132.08951	1.4
135.08061	2.6
136.08386	1.0
147.04404	6.9
148.04733	2.3
163.03940	1.6
164.04224	2.1
165.82761	1.2
168.02684	1.0
178.07704	1.5
179.05647	1.0
179.08575	2.7
189.07002	2.2
190.07799	6.4
191.08589	4.5
193.03392	1.3
193.12616	0.9
197.06633	3.3
202.07782	6.3
203.08553	6.0
205.10065	1.1
207.08112	2.9
208.08551	1.4
217.06647	1.5
217.08780	1.2
218.07298	39.8
218.09583	5.3
219.08105	12.2
219.10146	2.1
220.08484	2.0
221.06009	2.6
221.09572	6.9
222.10394	1.2
233.09607	100.0
234.10318	15.6
235.07547	16.8
235.11136	2.9
236.08286	2.2
237.09087	1.1
241.05559	3.3
241.10315	1.1
246.06120	3.8
247.07507	1.7
250.09879	17.9
250.12315	27.2
251.12718	2.1
260.10834	1.7
264.07162	6.7
265.12231	24.7
265.15100	1.4
266.12643	1.2
269.07727	1.3
274.18784	1.7
278.11725	6.7
285.33121	0.9
292.19934	7.7
310.10992	1.7
310.14520	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	309.2786
Annotation	Peregrinol (diterpene)
Peak:m/z	Relative Intensity
50.53684	1.2
53.03947	1.3
55.01884	1.8
55.05505	20.2
57.03444	2.2
57.07067	8.4
65.03941	1.4
67.05499	36.1
69.03418	5.0
69.07066	35.3
69.45681	13.8
69.46004	1.5
71.05000	4.4
71.08640	2.6
75.04476	1.6
79.05486	15.3
81.03434	1.9
81.07054	100.0
83.05005	2.7
83.08615	15.6
85.02901	7.4
85.06544	37.4
89.03931	3.1
91.05460	9.5
93.07036	31.6
95.04976	2.1
95.08603	89.8
96.08901	1.7
97.02887	1.4
97.06535	1.7
97.10198	12.9
99.08086	32.4
105.07004	10.3
107.04980	1.8
107.08591	39.4
109.10155	57.3
111.04461	1.5
111.08087	10.6
111.11710	8.4
113.09640	8.5
115.79221	1.2
117.03405	4.3
119.04944	16.3
119.08587	9.6
121.10139	27.8
123.11703	36.8
123.12578	2.5
125.09631	5.6
127.03850	1.5
127.11214	4.3
133.10146	5.2
135.04401	12.3
135.11693	17.9
137.13272	13.7
139.11188	4.4
141.12727	1.9
145.02879	7.3
147.04402	54.4
147.11670	7.3
148.04784	3.3
149.13252	38.3
151.14822	4.9
153.12770	2.4
161.13252	5.8
163.03893	63.9
163.14806	24.5
164.04271	3.7
165.16330	1.9
167.14345	4.7
175.14841	3.1
177.16391	12.6
181.15919	3.1
189.16466	3.4
191.17952	5.8
193.19521	1.5
195.17505	4.1
203.17941	4.5
205.19521	3.0
209.19043	2.5
217.19537	8.7
221.18988	2.1
235.20607	4.7
247.24277	4.2
248.08199	1.7
265.08517	1.8
265.25308	5.1
273.25714	17.5
277.08514	1.7
291.08673	3.2
291.26813	33.0
292.27075	2.3
309.11273	6.5
309.24265	1.9
309.27847	40.5
309.31201	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2422
Annotation	Methyl (10E,12Z,15Z)-9-hydroxyoctadeca-10,12,15-trienoate
Peak:m/z	Relative Intensity
53.64357	2.3
55.01629	3.7
55.01872	52.9
55.05511	27.2
57.07048	3.1
67.05502	43.1
67.82433	2.8
69.07065	42.7
71.31429	4.5
79.05491	31.7
81.03429	2.9
81.07053	63.9
83.04956	7.9
83.08619	26.0
85.06564	4.5
91.05480	21.2
93.07043	35.5
95.04977	7.1
95.08598	42.1
97.06532	68.5
99.08064	4.3
105.07030	28.7
107.08590	25.0
109.06495	4.6
109.10153	10.5
111.08063	13.4
113.09682	2.5
119.08569	30.7
121.10125	24.6
123.08054	5.9
123.11683	9.4
125.09550	5.8
129.06992	4.9
131.08551	4.2
133.10129	16.0
135.11671	16.6
137.19905	2.3
139.11183	3.9
147.11670	47.1
149.09608	4.0
149.13226	10.2
151.11198	6.2
157.10066	5.0
159.11688	6.0
161.13249	11.2
163.11154	6.4
163.14807	4.5
163.72958	2.5
165.12714	23.8
171.11633	4.3
175.14818	5.1
179.14299	4.0
180.98277	2.4
185.13249	3.6
189.12770	2.9
199.14790	2.9
200.62697	2.4
201.96481	2.2
215.44865	2.3
217.19431	2.6
221.15382	3.2
231.21214	4.5
232.13275	2.5
241.19467	5.4
259.20621	20.7
277.21619	100.0
278.21826	2.8
291.06543	2.8
291.23108	8.0
309.07379	3.4
309.24252	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	309.206
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49423	0.7
53.03940	0.8
55.01859	5.6
55.05502	3.2
57.07069	1.1
58.73837	0.6
67.05492	4.6
69.07057	3.1
70.01360	4.0
74.17027	0.6
79.05515	4.6
81.07059	29.8
82.07393	0.7
83.04978	1.8
83.08598	2.5
85.02889	1.0
91.05466	2.6
93.07047	5.1
95.04909	0.9
95.08603	6.0
97.06541	0.9
105.07037	2.6
107.04925	1.2
107.08575	3.6
109.06525	11.5
109.10175	3.3
111.04448	12.6
119.04964	1.5
119.08563	3.2
121.02803	0.8
121.10157	4.5
123.08083	1.4
123.11715	1.8
125.05999	4.5
131.08563	1.3
133.10130	2.7
135.08025	2.1
135.11719	3.9
137.05974	100.0
137.13268	1.6
138.06340	2.3
145.10109	1.6
147.04401	4.3
147.08040	2.1
147.11699	4.1
149.09637	3.5
151.07561	3.0
151.11180	0.8
157.10103	1.1
159.11754	1.3
161.09624	4.4
161.13264	1.8
163.03934	1.6
163.11224	2.4
165.09094	1.3
167.10672	0.8
175.11163	4.3
175.14857	1.0
179.10675	1.6
179.14317	0.7
189.12927	0.8
191.08662	0.7
193.12245	1.0
203.18001	4.9
207.08054	2.1
213.16370	2.5
221.05858	0.8
221.18990	1.3
231.17400	7.5
235.07587	1.3
241.15872	1.2
249.18500	11.5
263.07071	2.9
264.07227	1.5
277.17990	57.5
278.18326	4.8
281.08173	0.8
291.06433	1.2
295.19043	21.9
295.22397	1.3
296.19290	1.6
309.07571	2.0
309.32578	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2211
Annotation	Callyspongenol A
Peak:m/z	Relative Intensity
52.91865	2.1
53.03934	5.3
55.01858	4.3
55.05511	15.0
57.03417	6.0
57.07059	2.6
58.06582	2.0
65.03936	2.7
67.05504	29.8
69.03419	4.1
69.07075	16.7
70.74196	4.5
71.04971	3.4
79.05495	28.4
81.03403	4.2
81.06597	2.1
81.07057	40.6
83.04967	4.8
83.08603	6.5
85.02914	3.2
87.72387	1.8
91.05480	46.2
91.63145	2.2
93.06480	3.3
93.07047	62.8
95.04971	53.9
95.08055	3.4
95.08610	36.9
97.06540	17.4
97.10162	2.6
103.05459	2.0
105.07034	73.6
106.15561	1.8
107.04952	5.0
107.08597	40.2
109.06529	11.1
109.09577	1.9
109.10165	22.9
111.04430	2.4
115.05434	3.6
116.06100	2.1
117.03358	2.9
117.07014	14.1
119.04939	19.1
119.08585	60.2
121.06488	8.7
121.10148	86.0
123.08051	11.4
123.11660	8.2
128.06216	7.9
128.29276	1.8
129.07018	10.4
130.07762	8.0
131.08553	27.6
133.06451	2.4
133.10133	35.7
135.04424	5.4
135.08031	5.4
135.11688	10.3
141.05467	2.0
141.06927	7.5
142.07744	13.8
143.08588	25.4
144.09293	6.8
145.02827	6.6
145.09030	3.5
145.10129	45.6
147.04416	100.0
147.08035	5.7
147.11662	16.0
148.04745	3.2
149.09608	4.1
149.13284	2.4
154.07780	2.8
155.08521	8.0
156.09357	9.4
157.06821	1.9
157.10127	29.7
159.08081	5.7
159.11708	35.9
161.09579	8.5
161.13286	5.4
163.03917	40.6
163.11198	2.5
164.04181	2.6
165.07072	3.2
167.08585	4.5
168.09251	3.8
169.10118	14.2
170.10884	4.8
171.11673	21.2
172.00444	2.4
173.09572	2.8
173.13280	17.8
175.11264	2.9
175.14815	8.6
179.08646	4.2
181.10080	7.7
182.10924	4.1
183.11693	14.3
184.12450	3.0
185.13249	8.7
187.11261	11.3
187.14835	22.6
189.12794	3.0
193.10146	5.1
195.11700	9.9
197.13280	11.6
198.13902	2.5
199.14857	9.3
200.15616	2.5
201.12712	2.9
201.16306	4.1
206.10880	3.3
207.11661	5.6
208.12466	2.9
209.13254	10.8
211.10890	2.3
211.14676	10.5
212.15485	2.1
213.16344	6.2
215.14293	4.6
221.13312	4.9
223.14818	3.7
225.12772	3.6
225.16338	6.1
227.14352	3.1
229.61647	2.1
235.14734	5.4
239.14345	2.4
239.17989	5.3
253.15912	5.5
265.19412	3.0
281.22592	8.1
291.20935	10.0
309.09900	3.6
309.22092	79.6
310.22348	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	309.2058
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03944	11.8
55.01859	9.1
55.05511	47.1
56.96564	3.4
57.03444	15.5
57.07064	4.7
58.06581	2.2
67.05502	44.2
69.03423	11.8
69.07069	20.2
69.59625	20.4
71.04983	10.1
79.05489	94.4
80.05837	4.0
81.03419	20.0
81.06582	4.0
81.07056	61.4
83.04980	10.0
83.08614	23.4
85.02908	7.6
85.06543	11.7
91.04908	3.0
91.05477	48.5
93.07045	100.0
94.07397	3.1
95.04968	29.4
95.08608	35.5
97.02882	6.1
97.06536	11.3
97.10164	41.5
98.98507	4.5
99.08092	4.2
105.07044	20.9
107.04948	12.4
107.08596	28.0
109.06554	17.5
109.10147	10.1
111.04463	6.3
111.08077	4.2
113.06003	31.2
117.03377	2.7
117.07002	10.0
119.04946	21.2
119.08588	16.9
121.06497	8.0
121.10150	44.8
123.04452	3.5
123.08036	22.0
123.11732	5.3
125.09621	32.0
127.03855	3.8
129.07021	4.6
131.08527	13.3
133.10124	10.5
135.04433	10.6
135.08051	12.6
135.11676	8.2
137.09636	3.8
143.08545	4.4
145.02852	8.1
145.06555	3.2
145.10126	9.9
147.04410	83.1
147.08095	5.1
147.11696	5.2
148.04750	7.1
149.09622	4.8
149.13226	2.7
153.09145	6.0
155.01151	3.2
157.10188	4.5
159.07997	3.6
159.11693	8.6
161.09613	4.8
163.03906	61.4
163.05231	5.3
163.11186	3.1
164.04285	3.7
165.09158	5.7
171.11707	3.1
175.11179	4.6
177.12682	4.8
187.11238	5.0
188.43709	3.1
189.11227	27.8
217.15906	9.3
221.15393	2.9
223.13307	16.7
245.18842	4.4
247.07680	5.8
249.14781	3.7
250.15125	2.6
255.17345	4.2
266.07553	2.8
273.18442	28.8
277.08499	5.1
291.19531	48.8
309.09265	22.7
309.17218	3.3
309.20444	27.4
309.27765	2.8
310.10953	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	309.2059
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
53.03948	1.4
55.01626	1.1
55.01873	18.9
55.05512	7.9
56.96547	1.1
57.03423	2.8
57.07064	1.2
59.04975	0.8
65.03941	1.6
67.05171	1.3
67.05505	19.4
69.03425	3.4
69.07066	8.2
69.44761	2.5
69.45182	3.9
71.04978	2.6
76.22635	0.7
79.05492	10.4
81.03413	7.6
81.07053	16.7
83.04985	26.6
83.08615	3.1
85.02889	1.8
85.06532	0.8
89.03890	1.4
91.05475	9.7
93.03414	1.1
93.07046	12.0
95.04964	10.0
95.08614	10.7
97.02889	2.0
97.06531	15.8
97.10161	2.7
97.99162	0.7
99.04449	18.9
99.08092	1.5
105.07036	8.5
107.04962	8.1
107.08583	8.4
109.06508	6.1
109.10167	8.7
111.04441	100.0
111.08097	2.3
112.04792	2.0
113.05995	1.0
116.98670	0.9
117.03397	1.2
117.07031	3.5
119.04945	6.5
119.08591	6.7
121.06491	2.3
121.10197	5.1
123.08086	6.3
125.09640	4.4
127.48530	0.7
128.06184	1.2
129.05498	0.9
129.07031	1.7
131.08595	3.6
133.06487	1.9
133.10129	6.0
135.04405	3.3
135.08052	4.9
135.11708	2.6
137.09607	5.9
141.06987	0.9
143.08568	1.6
145.02834	2.5
145.06479	0.9
145.10094	2.2
147.04408	26.1
147.08043	1.5
147.11714	2.0
148.04706	2.0
149.09636	5.1
149.13228	1.5
151.11131	1.0
153.09097	21.8
155.08589	0.9
157.10138	2.1
159.11684	2.3
161.09636	7.1
162.10306	0.8
163.03914	19.1
163.11208	1.6
164.04315	0.9
169.10086	0.8
171.11725	0.9
173.11728	1.7
173.13203	1.1
175.11227	3.8
177.12758	1.6
179.10571	1.1
189.11256	0.8
189.12808	1.8
193.12271	3.4
217.15936	1.4
218.07246	0.8
219.08223	0.8
221.11757	1.2
235.13463	1.0
245.19005	1.1
247.07619	1.0
249.14951	1.7
249.18539	1.3
255.17555	2.2
263.19968	3.6
267.15939	1.2
273.18530	11.3
291.19531	27.2
292.19904	1.3
293.60617	0.8
294.05231	6.8
309.09741	2.5
309.20593	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	309.2058
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
53.03941	1.1
55.01884	6.1
55.05507	7.5
57.03434	36.7
57.07071	2.0
58.01010	0.9
65.03928	1.4
67.05505	30.6
69.03421	3.7
69.07059	4.3
69.59187	8.4
70.27541	1.0
71.04990	3.0
76.81175	1.0
79.05488	16.4
80.05785	1.0
81.03410	4.2
81.07057	15.4
83.04950	2.6
83.08610	3.0
85.02905	2.0
85.06540	31.2
89.03880	1.1
91.05476	15.5
92.05802	1.2
93.07044	13.5
95.04970	38.9
95.08611	9.9
96.05289	2.3
97.06531	3.4
97.10167	1.8
98.21497	1.3
98.98502	1.0
105.07021	10.1
107.04964	5.2
107.08597	12.1
109.05791	1.8
109.06520	36.4
109.10154	6.9
111.08056	1.7
113.06006	100.0
114.06364	1.6
116.06245	1.2
117.03446	1.3
117.07038	7.3
117.92661	1.0
119.04933	5.1
119.08578	7.4
121.02865	1.2
121.06503	2.2
121.10132	4.0
123.08079	2.1
123.11658	1.8
129.07007	2.8
131.08586	9.1
132.93352	1.2
133.06505	1.2
133.10095	4.4
135.04419	3.5
135.08051	29.1
135.11656	3.9
136.08432	1.1
137.09567	1.4
143.08533	4.3
145.02841	1.3
145.10118	4.5
147.04414	29.5
147.08093	2.5
147.11671	1.3
148.04727	1.3
149.09645	3.1
149.13229	1.8
157.10097	3.7
159.11665	3.8
159.99904	1.1
161.09610	4.5
163.03903	20.2
163.11182	1.7
169.10110	1.4
171.11684	2.2
173.13344	1.4
175.11130	2.4
177.12798	2.1
179.08458	1.7
183.11714	1.3
189.06935	1.4
189.12785	1.3
190.07726	2.2
191.08597	1.7
197.06477	1.6
199.14786	1.3
201.12703	1.7
201.55130	1.0
202.07747	2.6
203.08612	2.2
205.10127	1.2
207.08058	2.9
217.15863	10.7
218.07303	16.6
218.09386	2.1
219.08026	6.1
221.06084	1.7
221.09630	4.2
227.17802	1.2
233.09598	47.9
234.10413	6.0
235.07634	6.4
236.08183	1.9
241.05502	1.6
245.18936	2.1
246.06200	3.2
250.09819	7.5
250.12279	14.6
255.17577	1.8
263.07007	3.6
263.20120	1.2
264.07147	4.0
265.09366	1.5
265.12238	11.1
273.18530	14.1
274.18860	1.4
278.11713	4.1
286.00848	1.0
291.06555	4.2
291.19519	45.2
292.19885	3.5
298.07834	1.0
309.07166	1.4
309.10278	1.3
309.20630	3.0
309.24249	4.5
310.14374	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	309.1177
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31292	0.6
55.01859	0.7
55.05499	2.5
57.03438	11.5
58.52985	0.6
59.04992	1.4
61.02917	1.8
69.03425	2.7
71.01342	1.3
71.04989	23.8
71.13326	1.6
73.02904	5.4
75.04479	15.1
79.63815	0.6
81.07059	0.7
83.04972	5.2
85.02898	100.0
86.03219	0.9
87.04462	2.1
97.02888	4.6
99.04449	1.4
101.05994	1.5
103.03933	1.5
107.04944	1.0
107.08568	0.6
111.04429	2.7
112.78766	0.7
119.08573	1.1
127.03941	3.7
129.05467	28.0
135.04437	1.8
145.02892	0.9
145.05019	1.3
147.04459	2.0
147.06516	18.6
151.07547	1.0
152.24475	0.6
163.03909	7.2
165.07591	1.2
171.06538	1.2
176.31433	0.7
177.05444	0.7
255.08743	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1178
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	0.6
55.01876	1.2
55.05508	3.1
57.03437	8.6
59.04999	1.6
61.02927	1.4
65.75600	0.7
67.05496	0.6
69.03426	3.9
69.34482	6.3
71.01353	1.8
71.04993	23.5
73.02914	4.9
75.04479	13.1
75.39741	0.6
81.03431	1.1
83.04979	6.9
85.02905	100.0
85.82345	0.7
86.09686	0.7
87.04491	2.9
87.45093	0.6
89.03909	1.3
91.05465	1.4
91.61745	0.6
97.02888	5.8
99.04444	1.7
100.20715	0.6
101.06004	1.6
103.03940	1.4
107.04957	2.0
109.02904	2.3
111.04441	4.2
113.71587	0.6
117.03374	3.3
118.07036	0.6
119.04967	2.0
119.08581	0.9
121.06499	2.5
123.04430	0.8
127.03101	0.6
127.03903	4.1
129.05479	25.1
132.93369	0.6
135.04405	8.8
145.02843	5.4
145.05020	0.8
147.04436	8.6
147.06517	15.8
147.07823	0.6
155.11545	0.7
163.03905	53.9
164.04248	1.3
164.73654	0.6
165.07547	0.7
165.38379	0.7
177.05418	0.9
181.04965	0.7
208.02939	2.4
234.05548	0.6
245.08119	0.7
291.08572	1.4
292.05911	3.5
304.51614	0.6
307.31451	0.7
309.09601	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0967
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.7
55.05531	0.6
56.47460	0.6
56.65296	0.5
57.03431	0.7
65.61416	0.4
67.05522	0.7
69.03430	4.4
69.07080	0.5
70.88461	1.0
70.88846	1.0
71.04996	1.0
79.05498	1.5
81.03428	4.1
81.07060	1.0
83.04972	2.4
85.02908	3.7
89.03922	4.2
91.05480	5.8
95.08593	0.7
97.02887	1.9
99.04459	0.7
99.07230	0.6
107.04971	2.3
109.02900	1.9
109.10152	1.0
111.04446	1.7
117.03376	7.3
119.04942	16.0
123.04408	1.3
123.11670	0.5
127.03890	1.2
129.05482	1.2
135.04422	16.8
135.11742	0.5
142.19424	0.5
145.02853	13.0
146.03162	0.7
147.04410	78.3
148.04765	1.8
149.05922	0.5
163.03908	100.0
164.04218	2.6
165.05482	3.2
168.48833	0.5
185.51216	0.5
195.07990	0.5
217.04959	0.8
279.10172	1.0
281.07904	1.2
291.08667	7.7
309.09592	6.9
310.10583	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0967
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29318	0.1
54.09836	0.1
57.03421	0.3
65.03940	0.6
69.03436	1.1
70.07935	0.2
70.08222	0.8
71.04984	0.3
73.02931	0.2
81.03421	0.6
81.07053	0.4
85.02898	1.3
87.18867	0.1
91.05475	7.6
95.08609	0.2
97.02892	0.7
99.04465	0.3
109.02893	0.3
111.08060	0.1
119.04939	22.4
120.05273	0.5
123.11645	0.2
127.03920	0.5
129.05479	0.2
135.04384	0.5
145.02858	0.5
145.11650	0.1
147.04404	100.0
148.04735	2.1
160.83812	0.2
163.03915	2.6
165.05489	0.6
177.05566	0.2
183.01147	0.2
291.08786	0.3
309.09164	1.3
319.82974	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1178
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.6
55.01867	0.8
55.05504	1.9
57.03183	0.8
57.03437	8.8
59.04997	1.8
61.02918	1.9
69.03437	5.5
70.87428	1.7
70.87827	0.4
71.01356	1.2
71.04992	27.0
72.81175	0.5
73.02917	4.6
75.04478	11.9
79.05494	0.7
81.03413	1.8
83.04978	4.9
85.02903	100.0
87.04478	1.9
91.05444	0.7
93.40425	0.5
95.04951	0.7
97.02913	2.6
99.04453	2.8
101.06003	1.5
101.23396	0.5
103.03930	1.0
105.13032	0.6
109.02881	1.1
111.04411	2.9
117.03323	0.7
119.04944	0.7
127.03902	4.5
129.05479	20.9
135.04414	0.9
145.02895	0.9
145.04921	3.4
147.04446	2.6
147.06508	15.0
163.03876	3.7
163.05933	3.3
165.07608	1.0
229.07265	0.6
255.08632	1.3
307.26071	0.6
309.11804	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0967
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03416	0.2
63.02382	0.2
64.41177	0.2
65.03927	0.5
65.66959	0.2
69.03426	2.1
69.88889	1.3
77.28146	0.2
81.03421	1.3
85.02892	2.0
91.05477	8.5
92.13844	0.2
96.31063	0.2
97.02905	0.5
98.20819	0.5
107.04941	0.3
109.02888	0.6
119.04939	24.5
119.98264	0.2
120.05299	0.6
127.03900	0.9
134.27658	0.2
135.04436	0.8
147.04407	100.0
147.92131	0.3
148.04750	2.5
163.03906	3.8
165.05447	1.8
191.08296	0.3
249.07660	0.5
291.08478	0.6
309.09637	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0966
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.6
53.05499	0.3
57.03426	1.0
64.43296	0.3
65.03948	0.5
69.03424	4.5
71.01337	0.6
71.04985	1.0
71.51357	0.8
75.04488	0.6
81.03403	1.3
83.00681	0.4
83.04973	0.4
83.85120	0.3
85.02898	6.1
88.89829	0.4
89.78335	0.3
91.05477	7.7
97.02883	8.2
99.04488	0.6
109.02894	0.4
119.04932	23.2
119.69076	0.4
120.05295	0.5
127.03907	1.1
129.05473	0.9
135.04427	0.5
147.04401	100.0
148.04778	1.7
163.03873	1.7
163.89879	0.4
165.05516	2.7
182.44785	0.3
249.09172	0.4
281.11652	1.0
291.08627	1.0
309.09464	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0966
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.3
57.03449	0.2
65.03936	0.7
65.70198	0.2
69.03421	2.0
70.91294	0.5
71.04990	0.2
81.03412	0.7
85.02908	1.9
91.05480	8.6
95.39620	0.2
96.98753	0.2
97.02888	0.5
99.29202	0.2
109.02898	0.4
119.04940	25.0
120.05298	0.5
124.53051	0.2
127.03911	0.5
130.75117	0.2
135.04417	0.4
145.02919	0.3
147.04404	100.0
148.04733	2.3
163.03908	2.1
165.05470	1.4
223.76590	0.2
249.07431	0.5
291.08789	0.5
299.67133	0.2
309.09695	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	309.0966
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21062	0.3
55.05493	1.0
56.84839	0.3
61.53840	0.4
65.03943	0.4
69.03417	1.6
71.04987	0.6
79.05486	1.0
83.04978	3.7
85.02898	2.3
89.03915	4.4
91.05470	0.7
95.04953	0.4
98.21449	0.8
107.04954	1.8
111.04438	2.2
117.03374	6.7
119.04912	1.7
123.04418	0.9
127.03868	0.4
129.05472	0.5
133.39900	0.4
135.04414	16.4
145.02849	12.7
145.03996	0.7
147.04404	8.4
147.06447	0.3
163.03897	100.0
164.04265	1.2
165.05516	0.5
217.04973	0.9
291.08545	2.2
309.09375	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	309.0497
Annotation	Aplysinal
Peak:m/z	Relative Intensity
53.49270	1.3
56.96564	46.0
56.96844	3.0
59.54739	1.1
62.38171	1.2
69.91512	1.7
69.91924	5.0
84.96027	2.3
98.97585	28.2
103.00587	1.2
112.99179	1.8
116.98618	21.7
124.99095	11.3
127.00665	2.5
130.37575	1.2
131.00127	1.6
134.99654	12.4
137.62544	1.1
140.98587	1.3
141.02206	2.9
143.00159	38.2
145.01666	2.3
149.01205	1.4
149.47998	1.1
152.98589	3.7
153.00606	1.1
156.50810	1.1
158.99747	1.5
159.03320	2.9
161.01219	35.5
166.01691	1.3
167.00206	1.7
169.01721	3.9
170.99658	20.4
179.02316	2.8
184.02869	1.4
185.01199	16.4
186.99097	3.8
187.02756	6.7
188.02667	2.2
189.00702	30.4
194.99599	2.0
201.00644	1.4
203.02271	14.7
205.00201	3.2
207.01755	7.3
213.00711	12.2
221.03326	5.0
221.05275	1.2
223.02977	1.4
225.69954	1.5
226.03828	1.3
230.94356	1.2
231.01740	20.2
231.03879	1.7
232.03481	1.4
245.03407	2.0
249.02818	22.4
263.02905	4.2
267.03848	14.3
273.02878	3.6
285.05011	6.2
291.03860	44.7
309.04907	100.0
327.05927	7.6
332.06439	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	309.0753
Annotation	6-Methoxyisopongaglabol
Peak:m/z	Relative Intensity
55.01851	2.0
60.71324	0.4
65.03931	0.6
69.42690	1.6
69.43120	2.9
69.85802	0.5
79.05499	0.6
79.38000	0.4
82.58642	0.5
89.03902	1.0
91.05479	1.0
98.06052	0.7
98.20721	0.5
107.04919	2.1
112.75275	0.4
115.05418	1.4
117.03335	1.8
118.04156	0.9
119.04884	0.7
120.05678	1.0
121.02868	8.2
131.04887	1.9
135.04419	0.6
137.13297	0.5
143.04909	0.8
144.05701	1.0
145.02827	1.3
146.03618	2.8
147.04378	4.4
159.04440	2.3
163.03871	1.4
164.04683	0.5
165.07002	4.7
167.08629	0.5
170.03616	1.3
171.04358	1.2
173.02396	0.7
176.29456	0.5
177.07071	1.2
178.07791	11.2
179.08554	13.5
181.06464	1.9
187.05504	0.6
189.06987	26.0
190.07736	4.3
191.08556	5.2
192.05640	0.8
193.06519	1.9
194.07283	0.9
195.08064	0.8
202.07785	0.8
205.06506	4.1
206.07210	3.3
207.08051	20.3
208.08450	1.0
209.05856	0.6
215.03337	6.4
217.06497	7.5
218.07237	4.8
219.08046	8.3
220.08559	0.6
221.05962	4.5
222.06523	0.5
229.06549	0.8
229.07545	0.8
233.05902	0.7
234.06755	4.1
235.07541	23.9
236.08025	0.8
237.05489	0.7
237.09099	4.3
238.84758	0.5
245.05901	5.7
247.07512	4.3
249.05463	6.8
251.07112	0.7
253.08649	1.1
261.05527	1.3
263.07028	73.3
264.07352	3.7
265.08585	5.1
273.05539	5.2
281.08063	0.6
291.06506	100.0
292.06818	5.5
308.29431	1.7
309.07556	11.1
309.11060	0.9
309.29767	4.7
310.07730	0.7
330.60425	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0968
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	1.0
61.38180	0.3
69.03426	1.4
69.89603	1.3
69.90011	0.6
71.04990	0.5
79.05488	0.9
81.03394	0.4
83.04987	3.5
85.02906	1.7
89.03912	5.1
91.05466	0.9
98.21382	0.6
107.04948	2.3
111.04449	2.3
113.14768	0.3
117.03381	7.8
118.39066	0.3
119.04990	1.4
119.05734	0.3
123.04417	1.7
129.05473	0.7
135.04420	18.6
145.02846	12.1
145.03999	0.5
147.04427	3.9
151.94595	0.3
163.03905	100.0
164.04271	2.6
165.05473	0.6
169.35655	0.3
181.04977	0.7
186.05498	0.4
191.03419	0.3
217.04968	1.2
231.08327	0.3
273.07642	0.5
277.08569	0.4
291.08621	2.7
309.09875	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	309.0967
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	1.2
57.03425	0.8
61.20681	0.3
63.53743	0.3
67.05506	0.5
69.03430	2.2
71.01346	0.3
71.04984	1.8
71.10535	0.9
74.94953	0.3
75.04475	0.6
75.66350	0.3
76.00806	0.3
78.08549	0.4
79.05479	1.2
83.04979	3.5
85.02905	5.0
89.03915	5.0
91.05456	0.5
96.71811	0.3
97.02915	0.4
107.04953	2.2
111.04436	1.9
112.12312	0.3
117.03374	8.2
119.04942	1.0
123.04434	1.9
124.01162	0.3
127.03918	0.5
129.05449	1.6
131.91637	0.3
135.04410	18.7
136.04726	0.4
145.02838	12.1
147.04407	3.9
147.06374	0.4
161.06084	0.3
163.03899	100.0
164.04224	2.5
167.57678	0.3
173.06013	0.3
177.05472	0.4
181.04947	0.4
186.05382	0.5
217.04918	0.7
273.07608	0.5
291.08514	2.1
294.08850	0.3
300.07697	0.4
309.09653	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	308.222
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	1.7
53.03946	9.9
55.01860	6.8
55.05513	95.9
56.05027	3.5
56.05843	1.4
59.05000	4.1
65.03928	6.7
67.05179	2.1
67.05510	27.9
68.05045	1.7
69.03417	6.6
69.07067	32.0
69.44989	13.7
70.04076	1.7
74.77390	1.7
76.79834	1.6
77.03905	1.9
79.05495	100.0
80.05027	10.8
80.05817	1.7
81.07057	29.3
82.06572	6.3
83.04977	6.1
83.08624	36.4
87.04434	1.6
91.05488	44.9
92.05017	23.0
93.05787	5.2
93.07048	60.1
94.06571	10.1
95.04969	16.5
95.08622	8.1
96.04448	2.3
97.10175	62.6
105.04502	4.3
105.07040	13.4
106.06556	21.6
107.07341	4.2
107.08601	20.5
108.08116	5.5
109.06516	1.9
109.49422	1.5
112.75272	1.5
116.06229	3.8
117.07010	4.1
118.06543	6.2
119.07285	2.6
119.08531	3.4
120.08121	10.9
121.10165	17.4
125.09642	62.0
125.10555	3.5
129.06979	4.8
131.08571	24.0
132.08075	6.0
133.08846	6.0
134.09676	3.5
138.12752	10.6
143.10690	11.6
146.09639	5.7
147.04410	4.0
148.11215	71.3
149.11601	1.8
163.03915	6.2
165.15810	1.7
170.11815	2.4
175.58206	1.7
176.14377	10.1
204.13852	18.6
220.13361	2.1
222.14890	14.6
224.97464	1.6
272.20038	1.8
290.21158	92.9
291.21484	4.5
308.09207	2.3
308.22238	24.4
308.28571	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	309.0497
Annotation	(2alpha,3alpha,4beta,5alpha)-(+)-7-Bromo-2,3,4,5-tetrahydro-4,5,8-trimethyl-2,5-Methano-1-benzoxepin-3-carboxaldehyde
Peak:m/z	Relative Intensity
55.07062	1.0
56.96292	1.6
56.96563	30.0
69.92705	5.3
84.08115	2.2
84.96015	1.7
98.21468	1.5
98.97581	18.9
100.10845	0.9
100.39317	1.0
102.75783	1.0
103.92623	0.9
108.97110	1.0
112.99160	1.1
116.98613	13.0
117.19077	1.0
122.51426	0.9
124.99119	5.7
131.00237	1.3
134.99638	8.9
141.02203	1.7
142.05003	0.9
143.00163	25.9
145.01692	1.1
152.98593	2.9
153.00662	1.2
159.03253	2.4
161.01215	22.2
167.00214	1.3
169.01772	4.8
169.03183	0.8
170.99640	12.6
177.00713	1.4
179.02321	3.4
179.45610	1.2
185.01186	13.1
186.99083	1.8
187.02753	5.3
189.00708	26.0
203.02284	13.7
205.00243	3.2
207.01762	5.1
213.00682	10.7
221.01421	1.2
221.03328	3.6
223.02989	1.5
226.04025	1.0
231.01773	17.6
232.03299	1.2
245.03439	1.4
247.01428	1.4
249.02841	23.7
250.71867	1.0
263.02951	3.8
267.03897	13.8
273.02856	4.3
285.04871	7.8
289.04944	2.9
291.00531	2.3
291.03848	47.3
291.15634	1.2
292.04031	1.6
309.04916	100.0
327.06049	10.9
332.06433	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	308.222
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00301	1.0
53.03936	3.5
55.01870	1.7
55.05512	13.2
56.05033	3.1
57.03431	1.2
57.07077	1.0
62.46265	0.7
65.03947	5.6
67.05504	72.9
67.18639	0.9
68.05019	1.9
69.07069	73.8
70.06584	1.6
71.04985	3.6
71.59524	1.0
79.05490	33.2
80.05016	19.1
81.03408	1.3
81.07054	61.1
82.06590	4.1
82.07363	0.9
83.04984	1.1
83.08613	4.4
83.86649	0.7
85.06535	3.8
91.05482	20.9
92.04997	6.5
93.05798	4.8
93.07042	39.0
94.06564	10.1
95.04967	6.9
95.08604	25.0
95.09119	0.6
95.09221	1.1
96.04478	3.5
96.08121	4.6
97.06533	2.1
97.10159	2.0
98.06061	4.7
103.05454	1.9
105.07024	9.0
106.06566	12.1
107.04959	0.9
107.07330	1.5
107.08585	16.0
108.08103	5.0
109.06491	2.3
109.10156	6.3
109.56940	0.7
110.06062	1.1
110.09657	1.6
111.08086	1.1
115.05462	1.5
117.07007	11.3
118.06513	2.5
119.04951	2.0
119.07294	1.8
119.08582	4.2
120.08078	9.6
121.06536	1.8
121.10148	5.1
122.09670	2.4
123.08056	1.0
129.07011	1.2
130.06477	1.1
131.08565	9.1
132.08109	2.8
133.10138	7.2
134.09668	7.1
135.08069	2.2
135.10629	1.5
135.11687	14.1
136.07567	0.8
141.07079	0.8
144.09351	1.0
145.10164	1.2
146.09604	1.2
147.04413	7.1
147.10562	0.9
147.11694	1.6
148.11189	11.3
149.09648	1.1
149.13255	9.9
150.09099	1.4
158.09689	1.0
159.11697	10.6
160.11182	1.3
162.12798	2.2
163.03914	2.5
168.26385	0.9
174.12756	1.4
176.14346	27.8
177.12759	5.8
177.14200	0.9
186.12787	2.6
194.15425	6.4
195.13803	0.9
204.13867	10.2
222.14883	38.6
272.20117	0.9
290.21143	100.0
291.21558	4.9
308.09204	3.2
308.22113	4.5
309.09314	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.2219
Annotation	Dihydrocapsaicin
Peak:m/z	Relative Intensity
50.79331	0.3
52.64018	0.3
55.01864	0.6
55.05515	3.3
57.07067	0.8
59.30106	0.3
60.66641	0.3
67.05506	1.5
69.03442	0.3
69.07069	1.4
70.02930	0.5
70.04076	0.5
71.04971	0.3
71.08623	0.4
71.59300	0.3
71.59691	0.5
79.05496	1.5
80.05025	0.5
81.07053	4.0
82.06549	0.3
83.04992	0.4
83.08633	0.6
85.02897	0.3
85.10155	0.4
91.05467	1.2
93.07033	1.2
94.04166	1.3
94.06548	0.7
95.04977	0.7
95.08611	1.4
95.28690	0.3
96.04477	0.7
97.10168	0.9
105.07041	0.8
105.73140	0.3
106.06529	0.3
107.04915	0.7
107.08582	1.0
108.04490	0.5
109.06515	0.8
109.10200	0.4
119.04952	1.0
119.08566	0.6
121.10155	0.4
122.03649	5.5
129.07062	0.3
131.68781	0.4
135.08025	0.5
136.11212	1.2
137.05972	100.0
137.13229	0.8
138.06290	2.5
138.12784	1.1
147.04411	4.7
150.12720	0.3
163.03934	0.3
164.10713	0.4
166.12260	0.5
172.16953	1.5
178.12195	0.4
184.16995	3.1
192.33434	0.3
262.21713	3.0
290.21136	22.0
291.21191	0.4
308.09100	1.4
308.22342	1.7
308.25589	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.222
Annotation	2-(4-Hydroxyphenyl)-1-nitroethane
Peak:m/z	Relative Intensity
53.03946	9.6
55.01860	5.3
55.05510	81.3
56.05038	4.5
59.04972	2.0
59.30371	1.9
65.03929	4.0
67.05502	30.6
68.44689	1.8
69.03421	5.4
69.07065	36.0
70.06581	2.2
71.04982	1.9
71.28757	3.4
79.05490	100.0
80.05013	7.2
80.05811	2.3
81.03409	2.7
81.07057	35.7
82.06573	16.1
83.04985	3.0
83.08614	27.0
91.05483	35.7
91.92395	2.0
92.05006	12.3
93.05792	6.7
93.07040	64.4
94.06566	8.1
95.04973	12.6
95.08614	7.4
97.10168	49.0
99.80466	2.3
103.05453	2.8
105.07015	11.8
106.06551	22.4
107.07351	2.5
107.08579	18.0
108.08125	7.2
109.06523	3.3
109.10189	4.1
115.05441	2.3
116.06251	3.4
117.06987	4.4
118.06541	8.1
119.07314	3.9
119.08614	6.3
120.08055	9.1
121.10136	17.9
125.09623	51.0
129.07030	3.9
131.08551	16.8
132.08099	6.7
133.08807	3.6
134.09607	3.3
135.11682	2.3
137.05978	5.7
143.10672	7.5
145.10123	2.5
146.09631	6.0
147.04407	2.4
147.11699	2.9
148.11215	55.3
159.11723	3.7
162.12849	2.2
176.14331	10.9
186.12834	2.9
189.85515	1.9
204.13808	13.7
222.14885	18.0
248.16394	1.8
262.18082	2.1
269.11823	1.9
272.20163	3.1
277.17917	2.9
290.21115	55.4
291.21567	6.1
308.22180	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	308.2219
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52461	1.4
51.43694	1.6
51.54449	1.5
53.03936	5.4
53.04292	1.5
53.46272	1.8
55.01857	1.6
55.05514	18.5
56.05030	4.0
56.80779	1.4
57.07067	1.8
57.73243	1.6
65.03944	8.2
65.85780	1.4
67.05505	73.3
68.05020	2.5
69.07067	100.0
69.34566	18.2
70.04063	1.5
70.06604	1.9
71.04990	3.0
74.54840	1.5
79.05492	38.9
80.05014	21.9
81.03425	1.7
81.07056	56.6
82.06558	4.0
83.04953	2.3
83.08617	5.0
84.08128	2.6
91.05473	24.8
92.04987	6.8
92.98159	1.9
93.05784	3.7
93.06464	3.0
93.07041	43.2
94.06557	13.8
95.05000	9.1
95.08605	20.6
96.04500	1.8
96.08127	4.1
97.06528	3.5
97.10130	4.2
98.06051	6.0
105.07037	12.0
106.06574	14.0
107.07387	2.8
107.08581	20.2
108.04498	2.4
108.08119	6.7
109.06484	3.0
109.10133	10.6
110.09667	2.5
117.07005	18.2
118.06509	3.0
119.08578	5.2
120.08111	12.2
121.10136	7.0
125.09682	1.6
125.62785	1.7
126.09102	1.6
131.08609	9.3
131.09470	2.0
132.08099	3.3
133.08842	1.6
133.10132	7.7
134.09645	10.2
135.11702	13.3
136.07495	1.7
137.06061	1.5
140.93121	1.6
145.10074	2.0
146.98267	1.5
147.04422	4.3
148.11206	14.8
149.12199	1.9
149.13191	10.3
159.11694	11.0
162.12796	3.1
163.03867	5.0
174.12747	2.0
176.14336	31.9
177.12769	6.4
186.12810	5.0
194.15410	5.1
204.13837	9.6
222.14886	89.8
290.21149	80.4
291.19388	3.0
308.22305	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	307.2629
Annotation	13-Hydroxygeranyllinalol
Peak:m/z	Relative Intensity
53.03927	2.5
55.05507	19.6
57.07075	13.4
59.04996	11.4
61.00425	1.7
63.16109	1.7
65.03931	2.4
67.05504	21.9
67.47634	1.5
69.07067	25.3
70.04077	3.6
71.04984	7.0
72.93773	1.8
78.66146	1.7
79.05497	13.4
81.07053	50.1
83.08607	15.5
85.06547	4.4
91.05487	11.8
93.07037	47.4
94.04178	1.6
95.04965	2.6
95.08604	70.7
97.06533	5.2
97.10166	13.0
98.98495	4.3
99.08086	3.6
105.07023	20.0
107.07873	2.3
107.08592	45.4
109.06534	3.3
109.10149	58.9
111.08046	2.4
111.11713	2.7
112.99263	1.7
117.07039	1.8
119.08569	17.3
121.02840	2.6
121.10146	27.8
122.03625	6.0
123.03997	2.9
123.08079	2.3
123.11713	20.3
125.09648	6.1
127.07511	2.2
127.11183	15.3
131.08585	3.1
133.10126	17.5
135.11687	24.6
136.12100	2.3
137.05972	100.0
137.13239	8.2
138.06308	81.5
139.06448	2.8
139.11237	2.1
143.10686	7.6
145.10132	6.4
147.04414	4.3
147.11707	18.3
149.12163	3.5
149.13251	40.4
151.11185	2.9
151.14807	16.3
153.12764	3.3
155.01048	2.9
159.11713	5.9
161.13216	10.3
163.03891	2.0
163.14844	6.1
165.12697	3.8
175.14859	5.7
177.16417	3.1
183.15764	3.0
187.14832	5.0
189.16411	6.5
191.17934	4.1
193.16081	2.1
201.16377	7.1
203.17923	28.8
203.19711	2.3
205.19521	15.1
207.17377	2.8
215.17961	3.8
217.19542	5.4
219.17609	2.0
225.05800	4.8
231.21091	4.8
239.02249	2.5
239.44141	1.8
243.06895	3.2
257.03354	5.3
261.25784	2.3
271.24173	18.4
284.09399	2.2
289.25253	23.9
307.22870	3.1
307.26169	22.0
308.09161	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2629
Annotation	13-Hydroxygeranyllinalol
Peak:m/z	Relative Intensity
53.03926	1.8
55.01855	2.2
55.05512	18.0
57.03414	1.2
57.07069	8.8
66.56936	1.3
67.05177	2.0
67.05507	33.5
69.03410	3.8
69.07067	39.5
71.04984	4.8
71.08626	3.4
71.59130	2.4
77.11858	1.3
79.05494	22.0
81.03391	2.8
81.07057	100.0
83.04980	1.6
83.08618	14.4
85.06543	17.4
89.03919	2.1
91.05474	13.6
93.07042	41.8
93.25632	1.6
95.04957	5.9
95.08604	80.5
96.08931	1.9
97.06542	6.9
97.10183	9.8
98.24660	1.3
99.08093	11.3
105.07030	23.9
107.08591	38.3
109.06522	3.2
109.10155	52.2
111.08060	6.7
111.11729	8.1
113.09644	4.1
117.07017	4.4
119.08578	20.4
121.06459	1.7
121.09315	2.4
121.10141	33.5
123.08076	6.4
123.11714	19.9
125.09635	6.1
127.11211	2.3
131.08559	9.8
133.10120	18.2
135.04428	2.8
135.08032	2.3
135.11690	27.3
135.25285	1.4
137.09608	8.9
137.13254	7.3
139.11208	7.2
145.10101	9.3
147.11699	17.8
149.13252	24.9
151.11169	3.8
151.14783	2.3
153.12683	2.2
155.10699	1.6
159.11711	8.1
161.13255	19.4
163.03914	20.7
163.11171	2.5
163.14803	15.0
165.12741	5.1
165.16411	2.1
167.14313	1.4
173.13234	5.8
173.49747	1.5
173.51268	1.6
175.14828	11.1
177.12718	1.9
177.16380	5.5
179.14325	4.7
187.14813	5.3
189.16351	10.3
191.14412	1.4
191.17949	3.9
193.15886	2.2
195.17337	1.7
201.16359	5.2
203.17984	2.9
205.15762	1.7
207.17509	1.8
215.17996	5.5
217.19344	2.0
219.17340	2.0
229.19489	1.8
233.18851	1.9
263.23758	2.6
271.24194	21.4
289.22089	2.3
289.25272	38.7
290.25641	2.1
307.08163	3.5
307.26309	48.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2629
Annotation	(E,E,E)-2,6,10,14-Tetramethyl-3,6,10,15-hexadecatetraene-2,14-diol
Peak:m/z	Relative Intensity
53.03896	2.0
55.05514	19.1
57.03426	1.7
57.07079	10.0
67.05511	27.4
69.03463	2.1
69.06721	3.0
69.07069	37.9
69.77951	11.5
71.04981	4.1
79.05495	20.2
81.03406	2.8
81.07052	100.0
83.08617	13.1
85.06541	11.8
85.10189	2.0
91.05479	13.4
93.07045	40.7
93.46360	2.0
94.65736	1.9
95.04943	6.7
95.08602	81.5
97.06539	6.8
97.10159	12.7
97.12057	1.7
98.20805	2.8
99.08119	10.4
102.89761	2.1
105.07030	23.8
107.08595	37.1
109.06486	3.2
109.10146	51.9
111.08072	5.3
111.10788	1.5
111.11704	6.8
113.09642	2.7
117.07034	3.3
119.08586	21.7
121.10136	35.2
123.08056	5.3
123.11713	22.6
125.09615	6.6
125.34649	2.2
131.08562	6.8
133.10115	19.9
135.08049	2.3
135.11682	25.9
137.09601	8.3
137.13219	10.9
139.11147	6.3
140.48753	1.9
145.02777	2.4
145.10129	9.4
147.11685	19.5
149.13240	23.3
151.11128	3.6
151.14815	4.4
155.10645	2.7
159.11693	10.5
161.13271	15.5
163.03864	15.6
163.11226	2.9
163.14836	17.9
165.12720	5.1
165.16451	2.8
167.14340	2.1
173.13257	5.2
175.14815	13.4
177.12724	2.3
177.16296	4.5
179.14275	5.8
187.14807	7.4
189.16376	13.2
191.17928	4.1
193.15839	3.3
201.16411	6.2
203.17961	4.1
215.17970	7.3
217.19601	3.0
229.19522	2.1
233.18976	3.9
263.23779	3.9
271.24207	25.4
289.25229	45.5
290.25546	3.2
307.08240	6.0
307.26309	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	307.2266
Annotation	[8]-Paradol
Peak:m/z	Relative Intensity
53.03947	1.9
55.01873	7.1
55.05516	11.4
57.03436	1.7
67.05505	17.1
69.07073	14.4
71.04963	1.9
72.04531	1.6
79.05491	10.9
81.03367	1.7
81.07055	22.5
82.07355	1.6
83.04950	3.0
83.08630	6.7
91.05488	8.1
92.27780	1.3
93.07034	12.8
95.04977	9.1
95.08603	18.2
97.06529	7.8
97.10158	2.7
105.07014	13.5
107.08618	7.3
109.06516	71.8
109.10148	6.0
117.06982	3.1
119.08572	10.3
121.06490	3.6
121.10171	6.8
123.08045	4.9
123.11685	3.3
124.16492	1.3
131.08542	5.8
133.10120	6.1
135.08029	2.8
135.11699	3.3
137.05992	1.6
137.09633	3.2
139.11218	2.3
143.08617	1.9
145.10129	4.2
147.11679	5.3
149.09599	3.4
151.11203	2.9
154.71242	1.5
157.10016	1.9
159.11719	4.0
161.13251	2.8
163.11169	3.9
165.12740	3.9
169.10136	1.3
173.13219	3.9
191.14281	2.3
194.05121	1.7
229.31285	2.2
238.21642	2.7
247.20959	1.5
251.16495	17.9
261.21964	1.7
275.20129	10.3
289.21625	11.3
291.23138	4.5
307.22653	100.0
308.08853	1.4
308.22867	6.8
308.25903	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	307.2266
Annotation	Methyl haplodesertoate
Peak:m/z	Relative Intensity
53.03936	1.4
55.01859	2.0
55.05513	9.9
56.32574	0.6
56.96571	1.0
57.03439	0.8
57.07073	1.0
59.04991	2.6
67.05502	15.9
69.03406	0.8
69.06715	0.9
69.07064	9.8
70.28643	0.6
71.04995	8.6
71.56059	0.8
71.56400	0.8
73.06539	1.7
76.16862	0.6
79.05061	1.0
79.05492	15.9
81.03404	0.9
81.07054	18.9
83.04987	1.3
83.08618	2.8
85.06535	2.1
87.08070	0.8
91.05478	22.7
92.05807	1.1
93.07040	19.3
95.04955	2.7
95.08607	13.9
97.06534	7.0
97.10169	1.8
99.08083	1.6
103.05475	0.8
105.07032	28.5
107.04939	1.7
107.08595	14.2
109.06514	12.7
109.10146	7.5
110.07274	0.8
111.08051	2.1
111.12910	0.6
113.75061	0.6
115.05507	0.8
117.07007	7.7
119.08578	22.6
121.02833	3.1
121.06493	3.7
121.10130	8.7
123.08059	8.6
123.11703	1.9
125.09618	2.9
129.07011	2.1
131.08565	9.2
133.10126	14.4
133.11087	1.1
135.08047	6.0
135.11681	2.8
136.08861	0.6
137.09604	7.7
139.11153	1.5
141.06964	1.1
143.08540	1.9
145.10107	8.2
147.04425	1.1
147.11673	11.5
149.09636	5.3
149.13228	1.9
151.11172	13.3
155.08537	1.4
157.10127	2.6
159.11664	5.5
161.13234	2.7
162.10278	0.7
163.03931	1.6
163.11169	8.6
164.11575	0.8
165.12756	7.8
169.10107	1.6
171.11681	2.0
173.13210	3.6
175.11250	1.0
175.14819	1.4
177.12753	1.8
179.14301	3.6
181.12314	0.6
183.11700	0.8
185.13374	0.9
187.11195	0.8
187.14783	1.9
189.12715	1.1
191.14330	1.6
197.13243	3.0
213.05516	1.0
213.16637	0.7
215.14233	0.9
219.13809	0.8
229.19449	4.6
233.15271	0.9
239.16109	0.8
239.18036	8.0
247.20589	2.6
249.18541	0.9
257.18973	9.6
275.20053	42.7
276.20432	2.7
289.21698	1.0
307.22668	100.0
308.09232	2.4
308.22946	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1686
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31326	0.6
55.78768	0.6
56.05032	1.3
56.96568	0.9
57.03430	0.7
58.06603	4.4
58.39498	0.5
69.03420	1.3
69.07088	0.6
70.04078	0.8
70.06605	0.8
71.04982	0.7
71.58342	0.9
73.02925	1.4
74.06091	1.0
74.93702	0.8
75.29867	0.5
81.03410	0.8
81.07068	0.8
84.04506	23.1
84.08142	100.0
85.02905	1.4
85.08475	0.8
86.06068	7.6
86.09698	4.7
88.03985	1.9
91.05480	0.9
93.07052	0.8
95.08610	0.9
95.74739	0.6
97.02881	1.9
98.98476	1.3
102.09171	0.9
109.02888	0.9
111.04487	0.8
123.04428	2.1
130.06587	0.7
130.08633	1.1
139.03893	1.7
140.72829	0.6
141.13863	8.0
146.05995	9.1
147.04396	1.7
149.06058	0.8
155.01042	1.1
155.03423	2.4
157.07643	1.1
158.06007	1.7
163.01749	0.8
163.03934	1.3
169.13362	9.7
198.11259	1.7
215.13901	38.5
216.14244	1.0
218.08179	0.8
243.17047	51.2
244.17462	2.1
247.06058	0.9
262.11188	3.7
265.04999	0.8
289.07025	0.7
307.16873	25.1
308.11478	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.2792
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.3
55.01880	0.9
55.05511	6.7
57.03432	0.4
57.07072	1.1
60.98428	0.1
62.94124	0.1
65.03939	0.4
67.05505	8.7
68.73862	0.2
69.03447	0.1
69.07068	7.1
70.06612	0.2
70.66700	0.2
70.67037	0.2
71.08636	0.2
72.04502	0.5
74.06059	0.2
79.05494	2.9
80.41196	0.1
81.07055	7.6
82.06572	0.3
83.04974	0.3
83.08614	2.4
84.04491	0.2
85.05286	2.1
85.06530	0.3
86.06068	0.9
91.05482	1.5
93.07039	2.2
93.20615	0.1
94.06492	0.2
95.04967	0.5
95.08604	5.5
96.08136	0.3
97.06529	0.5
97.10161	1.1
98.06051	13.0
99.06876	0.3
105.07037	1.5
107.04941	0.3
107.08588	2.2
109.06488	0.7
109.10155	2.0
110.09677	0.5
111.06827	0.2
111.08097	0.2
112.07614	1.8
117.07015	0.3
119.08584	1.1
121.06521	0.2
121.10171	0.8
123.11707	0.5
124.07560	0.3
124.11243	0.2
125.08353	0.2
125.09621	0.3
126.09127	0.4
131.08560	0.5
133.10139	0.7
134.09636	0.2
135.11664	0.5
136.11179	0.1
137.05980	2.4
138.09120	0.4
140.10706	1.0
143.08586	0.2
145.10146	0.5
147.11674	0.5
149.09612	0.3
152.10684	0.4
154.12245	0.6
159.11702	0.4
161.13235	0.4
163.11172	0.2
165.12729	0.5
166.12325	0.2
168.13849	0.5
173.13217	0.2
175.14812	0.2
180.13925	0.2
182.15395	0.6
183.11818	0.2
185.13264	0.3
194.15427	0.3
196.16974	0.7
203.12672	0.3
203.14388	0.3
208.16975	0.8
219.17331	0.7
222.18533	0.6
224.20038	0.2
235.16942	0.3
236.20071	0.3
239.17984	0.2
250.21664	0.4
257.18994	0.2
275.20081	1.9
289.21600	0.9
306.27899	100.0
307.22873	0.9
307.28232	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	307.0834
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47692	3.5
53.03918	3.2
55.01877	23.1
55.05496	4.6
56.05019	14.0
56.96560	15.2
57.03430	7.2
58.06594	12.4
58.99582	10.9
60.04517	11.5
61.02907	4.2
67.05494	6.7
69.03429	14.2
69.07076	4.0
69.85662	17.5
71.04986	4.8
72.93797	5.0
73.02905	11.4
73.05298	5.1
73.46059	3.0
75.01439	7.2
75.03181	5.0
76.01823	6.9
76.02225	83.0
76.03999	49.3
81.03426	3.7
81.07032	3.7
82.02940	6.1
83.04977	3.9
84.04504	100.0
84.08138	6.4
85.02892	24.2
85.98264	7.5
86.00652	4.0
87.01422	8.0
88.02205	17.4
89.03919	5.3
91.05453	4.2
97.02885	11.4
98.97578	16.9
98.98458	8.8
99.05555	11.4
100.02197	75.4
100.03971	24.4
102.03758	10.8
107.04952	12.4
109.02913	5.3
110.97583	3.4
112.02183	3.2
112.03975	6.1
112.07597	4.7
113.00566	6.8
115.00881	25.5
116.01676	15.0
116.98637	16.0
117.02486	4.6
119.04964	5.7
122.07140	25.6
127.04005	4.6
127.05046	19.6
128.03487	10.4
128.98549	3.3
129.04189	4.8
130.03227	74.7
130.04982	46.8
130.08665	7.0
132.03539	14.7
132.95850	6.0
134.99654	13.9
135.04391	7.7
136.06204	14.4
137.05975	6.9
140.05843	3.5
142.03207	24.8
143.97464	3.0
144.01140	4.3
144.04797	14.4
145.01888	11.5
145.06084	11.3
146.99615	8.5
147.04395	4.6
147.07674	5.7
149.01285	6.6
150.96899	6.1
153.06564	7.7
155.01048	6.9
155.03394	4.4
157.06450	3.9
158.02716	71.3
159.05907	9.8
161.01413	30.2
162.02226	17.5
163.03876	33.0
164.08209	30.7
168.05298	21.2
170.02708	4.1
171.07625	54.8
175.04080	3.6
176.98401	5.6
177.00717	10.5
179.04836	25.1
186.04465	5.6
188.03911	7.3
200.98425	4.6
201.03467	3.7
202.04065	68.8
204.05431	7.1
205.06400	27.0
212.08072	9.4
214.04051	6.0
232.05095	32.3
233.05847	21.2
234.99051	5.0
237.02904	7.6
237.28894	4.0
243.08514	16.5
265.05096	3.5
307.01093	3.5
307.04617	6.4
307.08258	4.4
307.11792	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	306.2059
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02390	0.3
51.46729	0.3
65.03932	0.3
68.93460	0.3
69.07054	1.1
71.19566	0.9
77.46023	0.3
81.07020	0.4
83.04976	0.3
91.05454	0.3
93.07018	0.5
94.04184	1.4
97.06560	0.4
107.08584	0.6
109.10175	0.5
114.09171	0.4
122.03651	4.9
133.10126	0.9
135.11702	1.0
137.05974	100.0
138.06314	1.4
143.26265	0.3
151.11227	0.5
153.12741	1.0
163.93336	0.3
170.15359	1.9
182.15395	3.3
231.48595	0.3
256.44308	0.3
306.20728	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.2474
Annotation	8Z,11Z,14Z,17Z-eicosatetraenoic acid
Peak:m/z	Relative Intensity
50.78145	0.7
55.01844	0.8
55.05506	10.4
57.03435	0.9
57.07075	4.7
57.95320	0.7
59.04996	0.7
64.56092	0.8
65.03930	1.0
67.05502	33.4
69.03411	3.0
69.07061	21.3
70.06560	2.7
70.94850	1.6
70.95173	1.1
71.04984	2.5
71.08623	2.6
77.99927	0.8
79.05489	9.2
81.07050	54.0
82.07414	0.7
83.04964	0.8
83.08607	10.0
85.06540	9.2
88.07639	0.9
91.05464	7.5
93.07036	23.9
95.04957	1.9
95.08600	51.1
96.08949	1.2
97.06525	3.1
97.10152	6.6
99.08104	5.6
102.09129	0.7
105.07027	11.3
107.08589	31.7
109.06532	2.1
109.10150	93.2
110.10452	1.9
111.08061	2.7
111.11705	2.3
113.09616	1.9
115.07540	0.8
119.08575	15.5
121.06484	1.3
121.10137	20.5
123.08034	2.9
123.11714	14.3
125.05975	1.5
125.09624	6.2
127.11186	32.9
129.17918	0.8
131.08554	3.6
132.10237	1.2
133.10127	7.4
133.87300	0.7
135.08061	2.4
135.10693	1.4
135.11688	14.3
137.09612	15.7
137.13217	5.2
138.10056	1.0
139.07481	1.4
139.11157	1.4
143.08522	1.5
145.10092	4.0
146.11818	0.8
147.11703	8.6
149.09642	1.5
149.13258	18.3
151.11127	1.2
151.14786	2.2
153.09077	2.9
157.10072	2.3
159.10489	0.9
159.11667	4.8
161.13245	9.2
163.11038	1.2
163.14798	8.7
165.12717	1.7
167.10660	1.3
171.11705	1.8
173.13229	2.3
175.11182	1.0
175.14798	5.1
177.12740	4.0
177.16382	6.6
179.10658	1.2
179.14265	6.1
185.13194	1.4
187.14832	2.6
189.16374	11.6
191.14308	1.8
191.17960	2.1
193.12250	1.3
195.17422	1.2
199.14792	2.0
200.20065	3.7
201.16360	1.6
203.14336	1.3
203.17964	3.8
205.15845	4.1
205.19496	2.2
213.16377	3.3
217.15913	1.2
217.76155	0.9
221.15334	1.9
223.16985	1.7
229.19411	1.6
231.17502	2.8
244.22755	7.0
245.22636	1.9
249.18428	1.2
259.24188	8.7
263.23511	0.8
269.22696	5.6
277.25134	4.3
287.23657	22.7
288.24283	1.0
305.24722	100.0
306.07498	1.7
306.26431	13.7
325.39941	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.2474
Annotation	8Z,11Z,14Z,17Z-eicosatetraenoic acid
Peak:m/z	Relative Intensity
50.64201	2.3
53.03935	3.8
53.07914	2.6
55.05509	17.7
56.96556	3.4
57.07061	9.1
59.04987	3.6
67.05502	38.0
69.03426	5.1
69.07062	37.5
71.04990	5.1
71.59061	3.9
72.96771	2.6
75.04892	2.2
77.15769	2.4
79.05485	21.1
81.07058	98.9
83.04981	2.7
83.08618	14.0
85.06535	6.2
91.05473	10.9
93.06480	3.5
93.07046	53.5
95.04952	6.6
95.08604	100.0
97.02910	3.2
97.06529	4.9
97.10164	8.6
98.84038	2.3
98.97598	3.1
105.07024	29.2
107.08588	69.0
109.06505	7.5
109.10152	80.4
111.08083	6.2
111.11718	11.6
116.98615	4.5
117.07018	5.0
119.08586	25.7
121.10137	51.4
123.08041	4.1
123.11712	42.0
125.09628	8.6
126.09157	10.6
127.11131	4.3
131.00157	4.6
131.08562	7.9
131.57118	2.6
133.10127	25.8
135.08015	9.1
135.11678	26.9
137.05963	6.2
137.09625	5.6
137.13225	17.6
139.07510	2.9
139.11154	4.3
143.08514	3.4
143.10652	7.0
145.10089	14.7
147.11694	18.4
149.01157	2.7
149.09669	3.0
149.12167	4.1
149.13266	49.2
149.14388	5.1
150.13530	3.0
151.03816	4.3
151.14813	7.3
153.09119	16.7
155.10674	2.9
157.10141	7.2
159.11705	11.9
161.09692	4.0
161.13232	20.1
162.05537	5.7
163.11182	3.4
163.14865	15.2
171.11630	5.4
173.13231	5.3
175.14818	9.9
177.12772	8.3
177.16382	10.3
180.06584	6.2
185.13306	3.1
187.14757	3.9
189.12646	3.2
189.16345	11.3
191.14388	2.4
195.13792	5.9
201.16342	12.2
202.16667	2.5
203.17953	9.2
205.19507	5.8
207.06889	3.1
209.15240	2.6
213.16504	2.7
215.18019	4.5
218.50677	2.7
223.16864	3.4
229.19579	2.5
231.17468	3.4
249.18465	4.1
250.08583	5.3
253.02649	2.6
259.24207	29.4
263.05823	17.6
269.12735	2.9
269.22696	17.1
275.62109	2.6
278.08112	7.5
287.09387	3.2
287.13916	2.6
287.23672	46.3
288.23996	3.4
305.05365	14.1
305.11380	4.3
305.15060	6.4
305.21255	5.0
305.24744	78.0
306.07617	49.4
306.25119	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.2321
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	16.5
57.07053	4.3
58.62717	2.9
67.05184	4.0
67.05505	66.1
69.06774	2.6
69.07070	25.1
70.69173	9.9
71.04996	17.7
71.08625	2.9
79.05494	24.0
81.07053	85.1
83.04971	4.9
83.08589	13.8
85.06527	10.4
89.35561	3.1
91.05477	18.5
93.07037	35.2
95.08604	100.0
97.06542	8.0
97.10161	10.7
105.07009	14.0
107.08593	26.6
109.10158	55.5
111.11722	4.1
119.08566	12.5
121.10152	32.0
123.11678	20.1
125.09582	3.9
131.08565	10.0
133.06430	3.6
133.10124	21.6
135.11688	26.4
137.05989	4.5
137.09644	7.7
137.13254	7.6
145.10095	7.9
147.11658	6.6
149.09558	4.8
149.13255	12.8
150.86137	3.2
151.11105	8.3
159.11656	9.9
164.55949	3.2
167.10716	3.1
173.13202	5.0
191.17935	29.7
195.13852	4.4
209.19040	19.9
215.17877	17.8
216.18098	3.6
225.22174	3.8
227.20001	6.4
233.18945	12.1
247.79321	3.8
251.20036	27.5
255.07344	3.9
269.21024	18.0
287.22116	5.2
305.05502	16.7
305.24786	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	305.2475
Annotation	13-Oxogeranyllinalol
Peak:m/z	Relative Intensity
55.01856	3.4
55.05515	14.0
57.07055	6.8
59.04998	2.2
67.05511	24.5
68.68021	1.9
69.03436	2.9
69.07073	19.9
69.51145	18.3
71.04994	48.4
73.06559	4.8
73.15387	2.0
79.05495	29.5
80.77564	1.9
81.07060	100.0
82.07368	2.9
83.08618	8.3
85.06526	3.9
91.05486	21.0
93.07043	51.5
95.04974	5.4
95.08611	69.8
96.08924	3.9
96.38415	1.9
97.06540	34.9
97.10168	5.2
98.06052	2.1
99.08089	7.7
105.06383	3.9
105.07037	48.7
106.00830	2.0
107.08603	71.6
108.08952	3.6
109.06538	5.5
109.09460	3.5
109.10157	41.7
111.08075	2.7
111.87369	2.0
113.67207	2.2
116.95040	1.8
117.07043	2.7
119.08587	52.9
121.10146	42.1
123.08064	3.7
123.11709	28.8
125.09634	4.8
127.11222	12.8
130.73090	2.4
131.08560	14.2
133.10144	30.3
135.11702	61.7
137.05023	2.5
137.05998	36.3
137.09624	3.9
137.13225	2.2
141.12744	3.4
143.08556	5.5
143.10690	2.8
145.10136	22.9
147.11697	39.6
149.13225	5.8
153.12764	27.4
157.10121	5.1
159.11687	12.9
161.09608	2.1
161.13275	12.3
165.12749	5.9
171.11635	4.5
173.13266	10.3
175.14830	17.6
177.16364	2.4
179.14328	5.2
185.13289	3.8
187.14832	6.1
189.16374	7.6
191.17960	7.5
193.15880	9.1
199.14838	4.0
201.16402	37.1
203.17920	9.6
204.33192	2.2
205.15907	2.1
207.17271	3.1
209.19089	2.9
213.16368	4.0
219.17261	2.4
231.33983	2.3
243.21162	4.5
269.22556	7.7
305.11533	1.9
305.15924	2.4
305.21460	3.6
305.24451	9.4
305.26831	13.0
305.31412	23.8
306.16849	2.6
309.57501	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.2321
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	2.1
55.05510	18.0
57.07067	3.8
58.65432	2.4
67.05502	68.7
69.07065	25.3
69.53820	18.2
71.04988	14.4
74.85425	2.4
79.05494	26.4
81.07055	92.8
82.83990	2.0
83.08628	19.1
85.06549	9.7
91.05487	18.4
93.07043	39.2
95.08604	100.0
96.08963	3.3
97.06523	6.5
97.10166	16.3
98.21515	4.0
99.08107	2.3
105.07019	13.6
107.08604	26.2
107.34266	2.1
108.79756	2.3
109.10155	52.4
111.08090	2.5
111.11714	6.3
119.08611	11.8
121.06451	3.2
121.10139	33.7
123.11699	21.1
125.09550	2.5
131.08588	9.4
133.10121	26.0
135.08054	4.9
135.11678	29.9
137.09653	7.8
137.13234	8.2
139.07542	4.5
145.10103	8.4
147.11679	6.1
149.09642	4.8
149.13287	11.6
151.11188	9.8
155.10625	4.1
159.11673	4.9
161.84137	2.0
163.11273	2.7
173.13208	5.6
181.12175	3.9
187.14853	3.6
191.17935	27.0
195.13808	3.9
205.19478	2.8
209.19002	20.0
215.17929	27.1
225.22177	7.5
227.20053	5.3
233.18974	23.5
251.20103	33.1
252.20459	2.4
269.21130	23.4
287.22202	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	305.2322
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50502	3.7
55.05512	23.6
57.07064	7.6
67.05504	76.4
69.07069	26.3
70.69968	10.8
70.70325	4.6
71.04977	18.6
79.05486	25.6
81.07052	100.0
83.04919	3.8
83.08624	18.2
85.06556	11.0
86.81090	3.4
91.05486	20.3
91.05995	3.7
93.07042	51.2
95.08604	98.4
97.06528	8.7
97.10177	18.7
98.97545	3.4
105.07040	15.1
107.08587	31.4
107.80889	3.9
109.10153	76.6
111.08062	4.6
111.11738	7.6
117.07018	4.0
119.08600	17.2
121.10145	43.1
123.11711	22.6
131.08563	13.0
133.10100	24.3
135.08060	6.3
135.11671	25.5
135.38388	3.6
137.05963	6.1
137.09598	6.4
137.13237	6.5
139.06534	4.4
145.10088	10.1
147.11690	5.2
149.09648	4.8
149.13264	13.3
151.11154	14.8
153.09132	3.9
158.90843	3.8
159.11729	9.0
161.13249	4.1
163.11307	4.7
173.13248	5.2
175.63638	3.8
177.05521	5.6
189.12807	4.1
191.17935	31.5
193.17215	3.9
209.18993	21.0
215.17946	29.7
225.22122	6.1
227.20168	6.0
233.19049	18.0
246.85596	4.0
251.20016	31.0
269.21121	15.7
287.22162	13.3
305.05450	21.9
305.24707	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1592
Annotation	Creoside I
Peak:m/z	Relative Intensity
53.03952	1.8
55.05514	9.3
57.03430	3.8
57.07073	5.2
61.02931	3.7
67.05503	3.5
69.03434	12.3
71.04995	43.8
71.58488	2.3
71.58905	3.0
73.02911	1.9
73.06542	6.2
73.97660	1.9
79.05483	8.3
81.03416	6.8
81.07044	7.0
83.04973	6.2
83.08611	7.7
85.02899	33.2
85.06534	17.4
91.05484	3.1
92.34333	1.8
95.04971	11.1
97.02888	10.1
97.10157	14.8
105.07050	3.2
107.08600	50.5
109.02879	3.9
109.06490	3.3
111.04397	3.0
120.08109	4.0
121.06526	2.5
123.04427	15.0
124.07574	2.0
125.09630	95.0
127.03895	7.2
137.05945	3.1
137.09656	3.4
139.03860	3.3
143.10677	100.0
145.05028	5.5
149.02325	11.3
149.09639	2.4
152.07021	9.8
153.01840	20.0
158.09494	2.0
161.05945	2.2
164.07108	2.8
167.03430	2.6
167.10667	8.5
180.06567	7.0
185.05994	2.1
194.53714	2.2
195.02892	5.2
209.11873	2.4
212.09503	3.6
214.12273	2.3
231.06468	9.4
241.13359	5.9
254.11140	1.9
259.06058	11.2
269.12845	36.6
287.05573	3.4
287.13858	23.3
291.04501	2.1
305.06458	3.5
305.14993	21.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.2114
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	20.5
57.07074	6.8
65.03892	3.9
67.05510	31.1
68.05834	6.3
69.03440	3.8
69.07067	19.4
70.06586	6.4
71.04992	12.3
71.58772	5.5
79.05492	31.2
81.07058	58.7
82.29759	3.2
83.08613	7.6
85.05278	3.9
85.06557	3.4
85.28258	3.2
91.05475	31.1
93.07057	30.7
95.04953	6.5
95.08607	33.3
96.02953	3.5
97.06540	11.0
97.10191	4.9
98.02821	3.2
98.06044	15.7
99.08110	3.9
105.07030	37.8
107.08600	33.8
108.09117	4.0
109.06561	5.7
109.10166	19.3
117.07049	11.0
119.08595	24.3
121.06494	4.4
121.10148	18.9
123.08056	5.5
123.11720	7.9
129.06984	6.2
131.08583	25.4
133.10141	16.2
135.08096	3.5
135.11707	23.3
137.05969	55.8
143.08575	14.7
145.10110	25.0
147.11682	13.7
151.11227	4.5
153.12790	8.6
159.11717	8.6
161.13281	5.3
171.11757	6.8
175.14832	7.5
185.13359	5.1
195.11774	4.3
196.99080	3.3
201.16402	11.0
208.27896	4.0
273.18411	10.0
287.30618	5.0
305.15573	9.0
305.21487	5.0
305.26663	100.0
305.31442	77.7
306.07581	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1208
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.8
55.05504	0.5
56.96563	41.3
57.03438	2.5
59.04987	0.4
60.95866	0.5
61.02929	2.1
62.11533	0.4
67.05518	0.6
68.80063	0.4
68.80438	0.4
69.03429	4.2
69.40434	3.6
70.06584	1.6
70.98121	4.7
71.01348	0.7
71.04995	0.9
71.95246	1.9
72.08151	1.6
72.96069	0.5
73.02900	2.8
74.97595	1.8
77.00920	0.5
80.05025	0.6
81.03426	1.6
81.07051	0.6
82.06572	0.5
82.41231	0.4
83.04980	1.0
84.08147	1.1
84.96019	3.1
85.02899	5.5
85.06557	1.3
86.09704	0.7
87.04468	0.7
88.99153	3.2
91.05492	1.5
92.98635	0.4
93.07062	0.7
95.04967	0.4
95.08607	0.4
97.02879	4.5
97.96814	0.5
98.09688	2.3
98.97578	25.8
99.04487	0.7
99.97919	0.5
101.00909	1.3
101.06010	0.4
102.96976	0.6
104.01283	0.5
107.00232	1.2
107.04961	0.5
109.02898	1.1
110.97527	2.1
112.05118	0.9
112.99129	1.8
113.00909	0.7
113.03513	1.3
114.05607	0.4
115.02437	1.0
115.03973	0.5
116.00243	0.4
116.07167	0.4
116.98615	26.4
117.98951	0.7
119.01919	5.6
119.04966	1.2
120.97993	0.6
121.01637	0.6
121.03555	0.4
124.95525	1.6
124.99140	1.7
125.01202	0.4
125.02361	1.3
125.07115	0.4
126.09185	0.6
127.03909	5.8
128.98593	4.8
129.03992	0.8
129.10318	0.6
131.00165	4.5
131.01871	3.1
131.05522	3.5
133.01767	2.6
133.03461	5.9
134.99646	19.5
136.06253	0.7
137.02985	1.2
137.05969	3.4
138.05539	0.5
140.00233	0.9
140.07066	0.6
140.98595	0.9
141.02284	0.6
141.06541	1.9
141.99422	0.5
142.96518	3.9
143.00156	10.3
143.01909	1.6
143.03438	1.3
143.05574	0.8
143.08955	0.6
144.10223	1.6
144.98105	0.9
145.01714	1.9
145.03474	2.3
145.04941	0.8
146.99640	6.0
147.03310	0.8
147.04274	0.9
147.05214	0.6
149.01202	5.3
149.02991	1.3
149.06602	7.1
151.02757	0.7
151.04587	1.0
152.05679	2.5
152.98723	0.5
153.00685	3.7
155.01953	2.2
156.98122	0.8
157.01689	0.7
157.03499	1.0
158.01344	1.4
158.99635	5.0
159.03284	1.0
159.05060	2.3
160.00497	0.6
160.97609	4.9
161.01280	17.0
161.02959	3.6
161.06575	3.0
162.01933	0.6
162.03554	0.4
162.99141	1.9
163.02802	1.6
165.00734	2.7
167.02269	1.3
170.05159	0.6
170.96109	1.3
170.99641	2.1
172.97630	1.3
173.01286	1.9
173.03032	4.1
173.06584	4.1
174.99219	1.7
175.02818	1.5
175.04547	1.3
177.00711	6.5
177.02193	0.7
177.04379	1.5
177.06183	1.5
178.05025	1.1
178.33484	0.5
178.55121	0.5
178.98602	1.0
179.02261	4.4
179.07703	1.3
180.04654	1.2
181.00218	0.6
182.99892	0.4
183.01862	0.6
184.02934	0.9
184.97575	2.3
185.01288	4.0
185.03024	1.8
185.06586	4.2
186.04663	0.5
186.99242	1.4
187.02927	0.5
187.08200	0.9
188.97063	10.5
189.00684	5.5
189.06091	0.7
190.95480	0.5
190.98634	5.4
191.00424	0.4
191.00732	0.5
191.02333	2.7
191.04016	1.3
192.04770	0.7
193.00201	3.5
193.03941	0.8
193.05586	0.9
195.01776	1.0
195.05275	1.1
195.07251	1.3
197.03226	0.4
197.06642	1.2
199.08197	0.8
200.02339	0.6
200.04689	0.5
201.00803	1.5
202.06841	0.7
202.98625	5.7
203.00183	0.6
203.02345	9.2
203.04054	2.3
203.05951	0.6
203.07639	6.3
205.00133	3.8
205.03842	0.7
206.98120	9.2
206.99950	0.5
207.01801	3.8
207.05159	1.8
207.55547	0.6
208.03069	0.5
208.04938	1.8
208.55148	0.6
208.99762	1.6
209.03296	0.7
209.06715	0.7
211.01233	0.5
211.07330	0.7
211.98723	0.6
212.97267	0.7
213.00900	0.6
214.98740	1.1
215.02310	0.9
215.04190	0.9
215.07616	6.9
216.05850	0.6
217.00343	1.4
217.09238	1.0
219.01675	2.1
219.07185	0.8
220.02272	0.5
220.99718	5.5
221.03337	2.4
221.05182	5.6
223.01219	2.5
223.57568	0.4
224.07341	1.4
224.99229	1.1
226.03932	1.1
227.02316	0.4
227.07680	0.9
230.98122	10.2
231.01775	0.9
231.07227	0.6
232.96529	0.8
232.99649	3.9
233.03313	0.6
235.01205	2.1
237.02818	4.4
239.00844	1.3
239.07785	1.9
244.04964	0.5
244.99818	1.5
245.03183	0.8
245.05357	2.7
245.08885	0.9
247.04884	0.5
248.99319	6.1
249.02811	1.0
250.97655	0.7
251.00832	1.0
251.04456	0.6
253.99841	0.8
257.08789	1.1
263.00864	10.1
263.04456	1.9
267.00391	1.6
267.03952	1.1
269.05493	1.0
273.04739	3.0
275.09872	2.9
281.01953	6.8
281.05536	3.0
282.02310	0.6
286.02533	0.6
287.09885	1.2
291.03815	0.6
293.05496	0.7
295.06894	0.7
296.07205	0.5
299.02954	1.1
300.04013	1.0
304.60757	1.5
305.05643	11.2
305.12067	100.0
305.59732	0.4
306.05814	0.6
306.12085	2.1
306.15646	1.7
321.10703	1.9
323.02951	0.6
323.06461	15.9
323.11865	1.3
324.06952	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0654
Annotation	12-Methoxycitromycetin
Peak:m/z	Relative Intensity
55.01870	1.1
60.75478	0.6
63.66015	0.5
65.03937	2.1
67.01853	1.2
67.05487	1.0
68.99792	2.4
69.03420	1.3
71.08716	1.1
93.03416	0.6
95.04957	2.8
97.44705	0.5
105.03395	1.5
107.04882	0.5
111.04426	5.1
114.09531	0.5
115.05466	0.8
121.02873	9.5
123.04424	60.1
124.04760	1.0
127.03946	3.1
129.07018	1.0
133.02840	2.7
135.04405	2.4
137.02284	1.2
139.03920	5.2
139.05452	0.9
145.06409	0.8
147.04381	0.8
147.07990	0.7
149.02336	61.2
150.03004	2.3
151.03912	3.0
153.01823	100.0
154.02208	1.6
157.06447	3.1
160.05205	0.6
161.02327	5.7
161.05888	0.7
163.03877	0.8
167.03403	11.3
167.04852	0.6
171.02930	2.7
175.03844	0.8
175.07564	1.4
179.03398	4.7
185.05984	6.5
189.02852	0.5
189.05429	0.8
195.02884	20.7
196.03365	0.6
203.03387	1.2
203.06967	0.6
213.05446	12.1
217.05083	0.8
231.06516	44.7
232.07005	1.5
241.04950	5.9
247.82819	0.7
258.05243	1.8
259.06009	69.8
260.06387	2.4
269.04410	0.9
287.05472	21.4
288.05911	0.9
305.06525	16.6
305.09933	1.0
306.07031	0.7
323.78738	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0656
Annotation	12-Methoxycitromycetin
Peak:m/z	Relative Intensity
53.03939	1.0
55.01858	1.9
64.80671	0.8
65.03925	2.8
67.01865	5.3
67.05491	2.5
68.99794	5.0
69.03423	2.6
71.04991	1.5
71.58749	1.0
79.05468	1.3
81.03398	2.6
81.07012	1.1
84.08157	1.0
85.02905	2.9
91.05470	1.7
95.01356	1.0
95.04976	5.1
97.02903	2.5
98.97562	1.1
105.03391	1.7
107.04935	2.4
109.02842	2.7
111.00806	2.0
111.04446	7.6
115.05415	1.1
116.98605	0.9
119.08625	0.8
121.02869	11.3
121.06449	1.0
123.04422	83.9
125.02354	1.2
125.09641	1.1
127.03911	11.4
128.06180	1.4
129.01849	1.5
129.06987	2.2
133.02832	2.8
133.06456	1.0
135.04445	5.5
137.02336	4.3
137.05960	5.6
139.03900	19.7
139.05470	1.2
141.06918	1.5
142.08623	1.3
143.04868	0.9
143.08922	1.0
145.06490	2.2
147.04414	6.5
149.02336	74.2
150.03020	1.5
151.03922	6.7
153.01825	100.0
154.02190	0.9
155.02121	1.3
155.03392	25.1
157.06482	6.5
161.02351	4.8
161.05934	1.9
163.03903	5.1
167.03398	11.0
169.06499	1.1
171.02898	20.0
171.04344	1.5
175.03912	2.9
175.07535	2.8
179.03378	5.6
182.30522	0.9
183.02879	1.1
184.05124	1.1
185.05954	10.1
189.05508	2.0
195.02881	15.4
197.05986	1.9
199.04117	0.9
199.07486	1.2
203.03593	4.3
203.06969	1.9
213.05432	15.8
217.04877	1.0
221.15160	1.0
229.04892	1.0
231.06511	56.7
232.06764	2.6
233.08144	1.3
241.04944	8.5
245.04419	1.4
254.37961	0.9
258.05222	1.7
259.06009	77.9
260.06378	3.1
269.04443	1.8
277.10730	1.4
287.05493	29.3
287.08868	1.5
287.13342	1.0
288.05811	1.4
305.06497	19.2
305.10120	3.6
305.15656	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	305.0653
Annotation	12-Methoxycitromycetin
Peak:m/z	Relative Intensity
55.01859	1.2
65.03926	0.8
67.01852	1.7
68.99781	3.0
69.03442	0.8
70.06570	1.6
76.83112	0.7
77.03937	0.9
81.03407	1.2
81.07051	0.9
83.93723	0.7
84.04482	1.0
84.08128	0.7
85.02882	1.2
86.09711	0.8
95.04939	0.8
97.02890	0.9
98.97649	0.8
99.88105	0.7
105.03368	1.2
105.06996	1.1
107.04920	1.5
111.00762	0.9
115.05438	0.8
121.02878	7.0
123.04432	23.8
125.09621	0.9
127.03910	1.3
129.06975	2.1
131.04895	1.1
133.06476	0.9
135.04419	1.5
137.02380	1.6
139.03900	2.0
145.06467	1.2
147.04427	1.8
149.02342	61.7
150.02861	1.5
153.01834	19.6
155.03394	1.7
157.06480	3.7
159.09494	0.7
161.02370	1.2
161.05905	1.1
163.03888	1.4
167.03418	1.7
167.04805	0.7
171.02841	2.2
171.04294	0.9
173.05923	0.8
175.03998	3.4
175.07556	2.7
177.05429	1.1
179.03354	1.2
184.16147	0.7
185.05980	7.8
189.05473	1.3
195.02835	1.5
197.05959	1.6
203.03442	7.7
203.07069	1.8
213.05473	14.4
217.04913	1.3
231.06525	59.5
232.06935	2.0
241.04948	8.3
259.06021	100.0
260.06387	3.5
269.04437	2.8
287.05505	40.1
288.05798	1.4
305.06522	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	303.1591
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	4.9
55.05500	3.6
57.07064	5.9
57.98408	2.8
65.03953	2.3
67.05488	7.1
69.07059	10.5
69.98047	13.8
79.05485	3.9
81.07042	9.2
91.05473	9.5
93.07027	7.8
95.08596	7.9
105.07013	6.0
107.08594	10.2
109.06498	2.7
109.10144	20.1
115.05473	3.2
117.07006	10.7
119.08594	3.7
121.02808	2.8
121.10100	6.9
123.11674	3.3
128.06206	5.8
129.06999	21.6
131.04901	3.9
131.08569	8.6
133.10126	4.0
135.11708	3.5
137.02350	6.4
141.06982	45.9
142.07765	5.1
143.04921	9.0
143.08557	20.9
144.39975	2.4
145.06467	6.1
145.10115	5.0
151.11252	4.4
153.01819	8.0
153.06949	5.8
154.07797	4.2
155.08548	49.1
155.72253	2.3
156.09364	2.7
157.06490	11.1
157.10112	15.8
159.08109	5.8
159.11655	3.7
161.05983	7.7
165.01889	3.4
165.07037	18.7
167.08575	8.7
168.09386	5.4
169.06497	20.3
169.10156	21.0
171.08041	9.3
175.07556	3.3
179.08560	4.7
181.06361	2.6
183.02693	3.3
183.08057	60.7
183.11624	4.4
185.06052	2.6
185.09589	7.7
185.13393	3.0
187.07570	30.1
197.09602	23.6
197.13268	26.6
198.10446	2.6
199.11191	3.1
199.14864	4.0
201.03671	2.6
201.05484	5.6
201.09129	17.6
209.15150	2.7
211.11169	7.4
211.14792	7.6
213.12799	3.8
213.16380	4.4
215.07053	3.5
215.10669	3.3
215.14285	5.6
221.13268	7.0
223.14812	2.7
229.04968	6.4
229.08578	5.9
229.12244	2.8
229.15872	3.1
239.14305	50.1
241.15877	68.6
241.18156	4.7
243.13832	31.2
257.04391	5.1
257.15350	90.7
267.13867	6.7
285.14807	50.9
303.01794	3.5
303.04987	100.0
303.15881	25.5
303.30600	2.5
304.05334	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	303.1954
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	36.5
56.25568	1.3
57.06824	1.9
57.07077	32.0
67.05473	2.9
69.07074	25.1
71.08624	3.4
71.58442	2.5
78.25802	1.4
79.05495	1.9
81.07056	16.6
83.08620	100.0
84.08940	2.8
91.05495	7.7
93.07052	3.4
95.08588	2.8
97.10176	11.5
98.38298	1.6
104.73317	1.5
105.07018	1.9
107.04964	2.9
107.08623	1.9
109.02876	2.0
109.10184	2.3
119.04952	11.8
121.02870	1.8
123.04387	2.8
137.02379	3.7
147.04414	79.3
148.04741	2.7
153.01828	3.7
161.63013	1.5
165.01770	2.2
165.05484	43.4
165.06876	2.4
201.05444	3.2
229.04895	3.1
242.78188	1.6
257.04480	2.6
285.04080	1.7
303.01550	3.2
303.04993	52.3
303.30795	3.4
304.05374	2.7
304.22586	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.2268
Annotation	Samandarone
Peak:m/z	Relative Intensity
51.02370	0.6
53.03944	4.7
53.82458	0.6
55.01881	0.9
55.05511	12.3
55.08679	0.7
57.07086	0.9
59.04987	1.0
65.03912	1.3
66.04726	0.8
67.05499	18.4
67.34610	0.6
68.05007	0.7
69.07067	9.2
71.04984	0.7
71.60165	0.6
73.06543	1.3
79.05485	52.6
80.05008	5.5
81.07050	50.3
82.06551	1.0
83.04973	1.9
83.08604	2.5
85.06499	2.7
85.61122	0.7
91.05473	17.6
93.05768	0.6
93.07040	11.6
94.06538	1.3
95.04967	9.0
95.08604	10.2
96.08123	1.3
96.08909	0.9
97.06516	1.9
97.10158	1.0
99.08065	1.2
103.05450	0.8
105.04478	0.8
105.07019	11.5
106.06542	1.9
107.08582	5.2
108.08113	18.0
108.08851	1.5
109.06509	2.0
109.10149	1.9
115.05442	1.0
117.07034	1.1
119.08577	7.8
120.08055	1.1
121.10135	4.3
123.08044	0.9
123.11674	5.4
125.09605	0.9
129.07024	1.0
131.08563	1.6
132.08070	2.0
133.10077	1.8
134.09630	2.0
145.10143	1.6
146.09615	1.3
147.11682	5.5
148.11130	1.2
149.13213	0.9
153.01805	0.8
157.10136	0.9
159.11691	1.4
162.12778	1.8
165.12727	1.1
190.96280	1.1
248.20230	1.4
272.20135	3.4
282.97412	0.6
304.05295	6.0
304.22687	100.0
305.22943	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	305.0181
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.5
55.05498	1.0
56.96561	59.3
57.01416	0.3
57.03435	2.7
59.05004	0.5
61.02931	3.0
67.05486	0.6
69.03419	5.6
69.80539	1.3
69.80944	0.9
70.06586	1.7
70.98117	4.0
71.01362	0.8
71.04982	1.7
71.95255	2.2
72.08147	2.0
72.96038	1.3
73.02922	3.1
73.08479	0.4
74.97578	2.7
79.05501	1.0
81.03418	1.9
81.07083	0.6
83.04980	0.7
84.04500	0.6
84.08146	1.3
84.96027	4.8
85.02415	0.8
85.02901	11.7
85.06544	0.8
86.09715	0.5
86.56178	0.4
87.04456	1.4
88.99155	3.6
91.03968	0.4
91.05458	2.8
92.05829	0.5
92.98654	1.0
93.07047	1.1
94.06567	0.4
95.04986	0.6
95.08588	0.5
97.02889	10.0
97.99172	0.7
98.03197	0.5
98.20761	0.5
98.97575	33.0
99.04459	1.0
100.24179	0.5
101.00873	0.9
102.97047	1.2
105.06994	0.5
106.02880	0.5
107.00194	1.7
107.04946	1.3
107.08580	1.0
109.02885	1.7
109.06526	0.9
110.01308	0.4
110.05979	0.7
110.97548	2.9
112.99144	1.0
113.00845	0.4
113.03486	1.0
114.05530	0.7
115.00722	0.5
115.03902	0.6
115.07367	0.4
115.08677	0.5
115.97876	0.6
116.00227	0.7
116.07127	0.4
116.98616	33.5
117.02065	0.4
117.98971	0.5
118.99143	0.4
119.01891	5.8
119.04940	3.7
120.05273	0.8
121.01659	0.4
121.06491	1.1
121.10162	0.4
122.03782	0.4
123.05619	0.9
123.08073	0.4
124.03960	1.2
124.95485	1.4
124.99110	5.7
124.99941	0.5
125.02349	16.0
125.07114	0.7
127.03921	6.7
128.02322	0.5
128.98589	6.4
129.04021	0.7
129.10258	0.6
131.00188	4.7
131.01889	3.9
131.05551	2.9
131.08591	0.6
133.01683	2.3
133.03455	3.9
133.04958	0.4
134.99651	34.7
135.03117	0.6
136.06190	0.9
136.07591	0.5
137.02925	1.3
137.05975	5.4
139.02504	0.5
140.00204	1.3
140.98613	0.9
141.06577	2.1
141.07491	0.4
142.08667	0.5
142.96510	4.4
143.00156	30.5
143.01976	1.5
143.03378	14.3
143.04506	0.9
143.05534	0.4
144.98100	1.4
145.01732	2.1
145.03465	2.4
145.04887	1.9
146.99643	8.8
147.03206	1.0
147.04402	2.2
148.04817	0.5
149.01236	5.1
149.02370	0.5
149.02963	0.9
149.06602	6.0
149.09618	0.7
150.99176	0.5
151.02768	1.1
151.04581	0.7
151.07530	0.5
152.05672	1.6
152.07898	0.5
152.98647	0.6
153.00679	8.0
155.00134	0.5
155.01872	2.0
157.01675	0.5
157.03441	1.4
158.01248	2.4
158.99663	7.2
159.03293	1.9
159.05002	2.0
160.00403	0.4
160.97597	5.3
161.01213	56.0
161.02892	3.8
161.06625	2.8
162.99187	2.8
163.02736	1.2
163.03893	0.7
165.00723	4.8
166.01755	1.3
167.02277	0.7
170.01283	0.6
170.96053	1.1
170.99684	2.8
172.97603	1.9
173.01247	2.3
173.02988	4.0
173.06601	3.6
174.99199	2.9
175.02849	1.3
175.04497	1.1
177.00699	10.7
177.04327	1.3
177.06068	1.3
178.04886	1.4
178.55084	0.5
178.98666	1.4
179.02278	12.3
179.07304	1.2
180.04576	0.6
181.00185	0.7
183.01892	0.8
184.02898	2.6
184.97644	1.8
185.01215	13.8
185.02898	1.4
185.04784	0.9
185.06558	3.4
186.04759	0.5
186.99181	1.7
187.02805	0.5
187.04527	0.6
187.08263	1.1
188.97066	12.0
189.00684	12.8
189.06004	0.8
190.95436	1.7
190.98619	10.7
191.02289	3.5
191.03883	0.9
191.07582	0.5
193.00189	6.0
193.01866	0.5
193.03828	0.7
193.06187	0.6
195.01807	1.3
195.07167	0.9
197.03188	0.9
197.06613	1.1
198.04599	0.4
199.08157	0.7
200.02411	0.6
201.00706	2.3
202.06683	2.4
202.98640	7.8
203.02283	20.4
203.04044	4.7
203.07588	6.2
205.00145	5.2
206.98129	12.4
207.01747	7.1
207.05106	3.3
207.55357	0.6
208.02943	0.6
208.04967	1.7
208.55295	0.5
208.96475	1.2
208.99646	3.3
209.03261	0.7
209.06725	0.8
211.04793	0.7
211.07285	1.7
211.98708	0.8
212.97073	1.2
213.00792	1.5
214.00192	0.6
214.98683	2.1
215.02271	1.4
215.07600	7.2
216.05711	3.3
216.55940	1.0
217.00191	1.8
217.05411	0.6
217.09245	1.3
219.01767	4.4
219.07190	0.9
220.99721	7.5
221.03290	4.6
221.05136	5.7
222.03784	0.5
223.01176	2.5
223.04752	0.5
224.99138	1.1
226.00317	1.0
226.03896	1.2
227.07719	1.0
227.56502	1.4
228.01813	0.7
229.99821	0.8
230.98119	12.3
231.01648	3.0
232.96487	1.4
232.99680	5.9
233.03313	1.0
235.01183	3.5
237.02780	4.9
238.03549	0.9
239.00795	1.7
239.07709	2.3
241.02103	0.5
244.99725	2.8
245.02951	2.3
245.05559	1.9
245.08801	1.0
248.99150	11.0
249.02802	3.9
250.97510	1.6
251.00737	1.4
251.04401	1.1
253.99777	1.1
254.03366	0.6
255.03987	0.7
256.04877	0.6
257.08664	1.0
263.00787	13.5
263.04401	9.5
267.00308	4.5
267.03702	3.9
269.05426	1.9
272.00873	1.2
273.04709	2.0
275.09998	2.5
277.05942	0.6
279.09164	0.5
281.01855	9.3
281.05463	15.1
286.02362	1.2
286.06030	1.3
287.09680	1.4
293.01974	0.5
293.05447	1.2
295.06943	1.4
296.08035	0.8
299.02921	1.6
299.06494	2.0
300.03775	1.2
304.03513	0.9
304.07004	1.0
304.60281	0.6
305.05499	27.4
305.12042	100.0
321.10464	0.5
323.06476	41.0
323.12247	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1591
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05487	3.8
57.07053	6.6
67.05483	9.6
69.07047	10.4
71.58492	5.9
79.05471	11.2
81.07058	25.7
91.05460	13.2
93.07041	37.5
95.04912	4.7
95.08595	8.1
103.05441	2.8
105.07007	8.9
107.00059	2.8
107.08601	73.3
109.06459	4.5
109.10159	48.3
115.05415	5.2
116.67487	2.8
117.07004	9.1
121.10188	4.3
123.11728	20.4
128.06244	5.4
129.07014	17.7
131.08533	8.6
133.10132	5.2
135.11684	87.5
137.02373	4.2
141.06996	28.3
143.04918	6.6
143.08545	13.4
145.06424	4.4
151.11182	5.0
153.01807	5.9
153.06984	3.7
155.08542	30.9
157.06429	3.8
157.10104	13.2
159.07997	3.9
161.05943	3.9
163.07506	5.1
165.06996	11.9
167.03403	3.7
169.06462	19.7
169.10112	17.8
169.12195	3.9
171.08014	6.7
171.11623	4.3
173.06052	5.1
175.07466	3.0
179.08549	7.2
183.08052	39.6
183.11554	4.4
185.09700	6.4
187.07581	25.7
197.09657	16.4
197.13254	20.3
199.11243	3.6
199.14673	4.9
201.05522	4.2
201.09032	20.3
211.11221	6.0
211.14799	3.7
214.03694	2.9
215.10638	3.4
221.13217	4.4
229.04950	4.8
229.08595	9.9
239.14290	40.8
241.15886	51.8
243.13730	20.7
247.09682	4.0
257.15363	66.3
285.14899	38.0
303.04965	100.0
303.15918	19.5
303.23035	8.6
304.05264	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1227
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	0.4
53.03955	0.5
55.01859	1.4
55.05494	0.5
56.22400	0.3
60.12453	0.4
61.32311	0.4
65.03912	0.4
67.05497	1.4
68.99780	2.4
69.03437	1.2
69.66545	1.0
69.66967	1.8
71.04991	0.7
79.05499	0.9
81.03421	0.6
81.07060	1.6
83.04989	0.6
85.06516	0.4
91.05478	3.5
91.79447	0.4
91.96168	0.4
93.07037	1.7
94.04185	1.2
95.04959	1.7
95.08611	1.8
99.04474	0.9
103.05476	2.4
105.03419	0.6
105.07018	1.8
107.04951	1.0
107.08596	1.6
109.02869	1.4
109.06474	1.0
109.10155	1.2
111.00791	1.6
111.04424	1.1
111.08139	0.4
115.05457	0.6
115.39251	0.4
117.06997	0.9
119.04925	1.6
119.08560	1.2
120.72611	0.4
121.02875	2.4
121.06529	2.2
121.10155	0.9
122.03661	4.6
123.04421	1.3
123.08086	0.7
123.11697	0.6
127.03898	0.7
129.07028	0.5
131.04944	2.6
131.08571	0.5
133.10161	1.0
134.03667	0.5
135.04430	0.9
135.08040	0.5
135.11694	0.9
137.02353	6.8
137.05974	65.9
138.06253	2.0
140.06146	0.5
141.07014	1.0
143.04884	0.5
145.02837	0.4
145.06493	1.7
145.10052	0.7
147.04401	1.3
147.11723	0.8
149.02258	0.4
149.05983	2.8
151.03970	0.5
151.07545	4.6
152.06219	0.5
153.01819	8.4
153.05602	3.3
153.06853	3.2
155.04915	1.0
155.08536	2.6
157.06479	0.8
157.10147	0.4
159.11723	0.7
161.06010	1.0
161.13257	0.4
163.03909	1.5
163.07513	3.0
165.01836	3.2
165.06993	7.0
166.02676	0.4
166.07629	0.5
167.07095	0.4
168.05730	2.7
169.06459	1.2
169.10120	0.5
173.05997	1.4
175.07539	0.4
177.05554	0.6
179.04868	0.5
179.07083	0.9
181.06499	2.5
181.08566	0.8
182.07196	1.1
183.02898	1.4
183.04372	0.8
183.08043	7.7
183.71387	0.4
184.05106	0.5
185.05911	0.8
187.03929	0.9
193.06503	1.1
196.05200	1.6
197.05992	1.7
197.09656	0.8
199.07582	1.2
199.14848	0.7
200.08392	0.8
201.05443	3.4
207.04411	1.5
210.06796	1.0
211.04025	0.5
211.07520	8.2
212.08269	1.2
213.05489	1.4
213.09122	0.7
215.10628	2.6
219.06537	0.8
221.05916	0.5
225.09062	1.9
227.07025	1.3
228.07843	1.2
229.04959	9.7
229.13393	0.8
239.03415	0.5
239.07043	3.1
241.04886	0.6
242.09352	0.4
243.10179	6.9
245.08171	0.8
246.85239	0.5
247.05995	1.1
253.08606	1.5
256.07367	0.6
257.04486	4.8
257.13120	1.8
267.20978	0.6
271.09634	11.2
272.10233	1.0
274.04715	1.2
275.12936	0.6
285.03912	2.6
285.07245	0.4
285.11960	1.3
285.22250	1.0
288.10022	2.6
303.04990	100.0
303.12134	9.4
303.23087	2.4
304.05313	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	303.1227
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	0.4
53.03955	0.5
55.01859	1.4
55.05494	0.5
56.22400	0.3
60.12453	0.4
61.32311	0.4
65.03912	0.4
67.05497	1.4
68.99780	2.4
69.03437	1.2
69.66545	1.0
69.66967	1.8
71.04991	0.7
79.05499	0.9
81.03421	0.6
81.07060	1.6
83.04989	0.6
85.06516	0.4
91.05478	3.5
91.79447	0.4
91.96168	0.4
93.07037	1.7
94.04185	1.2
95.04959	1.7
95.08611	1.8
99.04474	0.9
103.05476	2.4
105.03419	0.6
105.07018	1.8
107.04951	1.0
107.08596	1.6
109.02869	1.4
109.06474	1.0
109.10155	1.2
111.00791	1.6
111.04424	1.1
111.08139	0.4
115.05457	0.6
115.39251	0.4
117.06997	0.9
119.04925	1.6
119.08560	1.2
120.72611	0.4
121.02875	2.4
121.06529	2.2
121.10155	0.9
122.03661	4.6
123.04421	1.3
123.08086	0.7
123.11697	0.6
127.03898	0.7
129.07028	0.5
131.04944	2.6
131.08571	0.5
133.10161	1.0
134.03667	0.5
135.04430	0.9
135.08040	0.5
135.11694	0.9
137.02353	6.8
137.05974	65.9
138.06253	2.0
140.06146	0.5
141.07014	1.0
143.04884	0.5
145.02837	0.4
145.06493	1.7
145.10052	0.7
147.04401	1.3
147.11723	0.8
149.02258	0.4
149.05983	2.8
151.03970	0.5
151.07545	4.6
152.06219	0.5
153.01819	8.4
153.05602	3.3
153.06853	3.2
155.04915	1.0
155.08536	2.6
157.06479	0.8
157.10147	0.4
159.11723	0.7
161.06010	1.0
161.13257	0.4
163.03909	1.5
163.07513	3.0
165.01836	3.2
165.06993	7.0
166.02676	0.4
166.07629	0.5
167.07095	0.4
168.05730	2.7
169.06459	1.2
169.10120	0.5
173.05997	1.4
175.07539	0.4
177.05554	0.6
179.04868	0.5
179.07083	0.9
181.06499	2.5
181.08566	0.8
182.07196	1.1
183.02898	1.4
183.04372	0.8
183.08043	7.7
183.71387	0.4
184.05106	0.5
185.05911	0.8
187.03929	0.9
193.06503	1.1
196.05200	1.6
197.05992	1.7
197.09656	0.8
199.07582	1.2
199.14848	0.7
200.08392	0.8
201.05443	3.4
207.04411	1.5
210.06796	1.0
211.04025	0.5
211.07520	8.2
212.08269	1.2
213.05489	1.4
213.09122	0.7
215.10628	2.6
219.06537	0.8
221.05916	0.5
225.09062	1.9
227.07025	1.3
228.07843	1.2
229.04959	9.7
229.13393	0.8
239.03415	0.5
239.07043	3.1
241.04886	0.6
242.09352	0.4
243.10179	6.9
245.08171	0.8
246.85239	0.5
247.05995	1.1
253.08606	1.5
256.07367	0.6
257.04486	4.8
257.13120	1.8
267.20978	0.6
271.09634	11.2
272.10233	1.0
274.04715	1.2
275.12936	0.6
285.03912	2.6
285.07245	0.4
285.11960	1.3
285.22250	1.0
288.10022	2.6
303.04990	100.0
303.12134	9.4
303.23087	2.4
304.05313	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	303.05
Annotation	Tan 931
Peak:m/z	Relative Intensity
55.05510	0.6
56.96545	0.6
57.02330	0.4
57.32312	0.5
65.03930	0.6
68.99789	4.7
69.07048	0.9
71.59999	0.5
79.31641	0.4
81.07053	1.1
81.88879	0.5
83.04974	0.6
88.07614	0.5
93.07021	1.1
97.10162	0.6
105.07037	0.8
107.08588	0.6
109.02868	1.7
109.10167	1.0
111.00797	0.8
117.07027	0.7
121.02865	8.9
121.78985	0.4
123.11742	0.5
131.04935	0.7
133.06485	0.6
137.02303	2.6
145.03864	0.5
145.06462	1.7
153.01833	1.9
154.94122	0.5
155.04909	0.8
159.04431	0.5
161.06007	3.0
165.01822	6.4
167.03415	0.5
172.95242	1.5
173.06026	2.4
183.02904	1.5
183.04396	0.6
187.03909	1.9
190.96327	0.8
191.07047	0.5
201.05505	1.4
209.00781	0.4
213.05486	1.2
215.03381	0.7
229.04956	10.9
240.04022	0.5
246.98962	1.1
257.04453	100.0
258.04773	4.8
259.06042	2.2
275.02853	0.7
282.12634	0.6
285.03802	0.8
302.30640	3.4
303.04980	24.6
303.16092	0.7
303.23129	1.1
303.26883	0.6
303.30768	1.6
304.05148	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0497
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01847	0.4
55.05513	1.1
59.44349	0.1
60.30684	0.1
65.03925	0.7
67.01849	0.3
67.05512	0.8
68.11416	0.1
68.99780	1.8
69.03410	0.4
69.07046	0.5
69.83395	0.8
71.04996	0.2
79.05471	0.4
81.03405	0.7
81.07043	1.4
83.04976	0.5
83.08606	0.5
91.05471	0.9
93.03383	0.5
93.07039	1.1
95.04970	1.3
95.08602	1.1
96.00470	0.2
97.02876	0.2
97.06500	0.2
98.21509	0.2
99.04401	0.3
100.11232	1.6
103.05466	0.4
105.03358	0.2
105.07034	1.1
107.04945	0.3
107.08557	0.9
109.02852	0.9
109.06474	0.2
109.10135	0.9
111.00806	1.9
111.04382	0.2
115.05427	0.2
117.07005	0.3
117.13893	0.2
119.04935	0.4
119.08541	0.9
119.97224	0.1
121.02882	1.7
121.06488	0.6
121.10128	0.7
122.03632	0.5
123.04440	0.8
123.07967	0.2
123.11707	0.2
127.03863	0.6
128.06192	0.2
128.07042	0.3
129.06984	0.3
131.04903	0.7
131.08565	0.5
133.02870	0.2
133.06465	0.2
133.10136	0.7
135.04436	0.6
135.11681	0.4
137.02339	7.1
137.03366	0.3
137.05959	3.7
141.07004	0.2
141.11465	0.5
143.08568	0.3
145.02829	0.3
145.06480	0.6
145.10095	0.6
147.04420	0.2
147.11650	0.5
149.02342	0.7
149.05966	0.6
149.09625	0.2
149.13226	0.3
151.03909	0.3
151.07541	0.8
153.01817	8.8
153.05475	0.4
153.06958	0.4
154.02174	0.3
154.12225	0.2
155.04892	0.7
155.08517	0.4
157.06505	0.2
159.04385	0.2
159.11708	0.7
161.05965	0.6
161.09650	0.2
161.13210	0.3
163.03900	1.5
163.07516	0.3
165.01822	3.4
165.05750	0.2
165.06950	1.0
166.02524	0.5
167.03398	0.2
168.05701	0.5
171.02827	0.2
173.05980	1.3
173.13240	0.3
175.14807	0.3
177.05438	0.4
179.03346	0.3
181.06445	0.4
182.07352	0.3
182.15408	0.3
183.02867	1.5
183.04419	1.0
183.08026	1.0
184.05054	0.2
185.05959	0.3
187.03879	0.9
187.14827	0.3
191.03369	0.5
193.06567	0.2
195.02849	0.3
196.05147	0.3
201.05435	3.9
203.17830	0.2
205.04906	0.5
207.04327	0.3
209.16446	0.2
210.14903	0.3
211.03928	0.4
211.07492	1.1
211.15105	0.3
213.05495	0.4
215.03391	0.2
217.15762	0.2
219.02969	0.2
219.06483	0.4
225.09093	0.2
227.17494	0.4
228.04155	0.5
229.04948	8.4
230.05341	0.2
239.03470	0.4
239.07018	0.5
243.10138	0.7
246.05356	0.2
247.05962	1.3
257.04425	5.4
258.04929	0.3
271.09610	1.3
274.04794	1.1
275.05432	0.4
275.12573	0.2
285.03940	2.1
285.12094	0.3
285.22110	0.6
302.04178	0.2
303.04968	100.0
303.23004	2.2
304.05292	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	303.0499
Annotation	Quercetin
Peak:m/z	Relative Intensity
55.01868	0.4
65.03918	0.6
66.95748	0.1
67.01869	0.2
67.05483	0.2
68.99784	1.9
69.03410	0.2
70.20073	0.2
70.20421	0.5
81.03401	0.6
81.07043	0.3
91.05465	0.3
93.02867	0.1
93.03381	0.7
93.07026	0.2
95.04984	0.6
95.08625	0.2
97.02923	0.1
98.20797	0.1
103.05442	0.2
105.03363	0.3
105.07021	0.2
107.04942	0.3
107.08620	0.2
109.02866	1.2
109.10130	0.2
110.03693	0.2
111.00800	1.9
111.04485	0.2
115.05486	0.2
117.07018	0.4
121.02850	1.9
122.03722	0.1
123.04424	0.6
123.11718	0.1
124.60111	0.1
127.03895	0.5
131.04913	0.5
133.06396	0.2
135.04425	0.6
135.08003	0.1
137.02330	7.2
137.03360	0.3
137.05968	1.8
138.02618	0.2
138.05458	0.2
138.09163	0.1
145.02872	0.1
145.06470	0.9
147.04378	0.1
149.02338	0.9
149.13373	0.1
151.03854	0.2
153.01820	10.0
153.06900	0.2
154.02197	0.2
155.04921	1.0
157.06473	0.3
159.04391	0.3
161.05989	0.8
163.03926	1.0
165.01828	3.8
166.02663	0.6
166.04982	0.3
171.02971	0.1
173.06003	1.6
175.83990	0.1
177.05368	0.2
179.03409	0.4
183.02876	1.6
183.04442	0.8
185.06090	0.1
187.03912	1.1
191.03435	0.3
191.06990	0.2
195.02879	0.4
201.05464	4.5
202.05867	0.2
205.04980	0.4
207.02820	0.2
211.03873	0.4
213.05493	0.2
215.03375	0.3
219.03041	0.2
219.06523	0.5
228.04181	0.5
229.04951	9.9
230.05367	0.3
239.03427	0.5
245.04376	0.2
247.05981	1.5
257.04434	5.1
258.05014	0.3
272.11606	0.2
274.04718	1.4
275.05359	0.4
285.03943	2.3
285.12299	0.2
286.04288	0.2
303.04977	100.0
304.05316	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0498
Annotation	Quercetin
Peak:m/z	Relative Intensity
54.64391	0.2
55.01860	0.2
55.24754	0.2
57.40079	0.2
65.03924	0.4
67.01857	0.3
67.05503	0.2
68.99785	1.8
69.58190	1.3
71.16441	0.2
79.66533	0.2
81.03410	0.3
93.03401	0.4
95.04949	0.7
95.39756	0.2
109.02862	0.9
111.00816	1.8
117.07056	0.2
121.02856	1.7
123.04427	0.6
127.03912	0.5
131.04898	0.4
135.04408	0.5
137.02335	6.4
137.03389	0.5
138.02647	0.2
145.02831	0.3
145.06459	0.6
149.02353	0.7
153.01822	8.0
154.02084	0.2
155.04901	0.6
157.06531	0.2
161.05980	0.6
163.03920	1.1
165.01825	3.6
166.02628	0.6
167.03552	0.2
172.87535	0.2
173.05977	1.2
174.58192	0.2
177.01833	0.3
179.03438	0.2
183.02888	1.5
183.04427	0.7
184.05159	0.2
187.03934	0.9
191.03326	0.3
191.07048	0.3
194.02130	0.2
195.02902	0.5
201.05455	3.9
202.05765	0.2
205.05099	0.4
215.03250	0.3
219.06618	0.5
228.04155	0.3
229.04965	7.9
230.05257	0.3
239.03432	0.4
247.05986	1.5
257.04449	4.6
258.04834	0.2
274.04733	1.9
275.05487	0.4
278.67386	0.2
285.03918	2.3
286.04764	0.3
303.04980	100.0
304.05325	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	303.0497
Annotation	Quercetin
Peak:m/z	Relative Intensity
55.01865	0.4
55.05483	0.2
65.00191	0.1
65.03925	0.5
67.01870	0.2
67.05504	0.5
68.99783	2.0
69.03418	0.3
69.07047	0.2
70.06581	0.2
71.01332	0.1
71.61539	0.1
71.61892	0.1
79.05474	0.2
81.03417	0.7
81.07047	0.5
82.54353	0.1
83.04977	0.2
83.08605	0.1
91.05489	0.6
93.03375	0.6
93.07034	0.3
95.04963	0.9
95.08598	0.5
97.02870	0.2
99.04440	0.1
100.57164	0.1
103.05455	0.3
105.03394	0.2
105.07029	0.6
107.04957	0.3
107.08570	0.4
109.02879	0.9
109.10131	0.3
110.03658	0.2
111.00799	1.6
111.04448	0.2
112.07613	0.2
115.05450	0.2
117.06994	0.3
119.04942	0.3
119.08571	0.3
121.02866	1.9
121.06486	0.2
121.10143	0.3
122.03680	0.1
123.04430	0.6
127.03936	0.6
127.11172	0.1
127.31068	0.1
128.06190	0.2
129.01804	0.1
129.06984	0.4
130.06516	0.3
131.04926	0.6
131.08548	0.1
132.08037	0.1
133.02838	0.2
133.06482	0.2
133.10112	0.4
135.04369	0.5
135.11681	0.2
137.02336	6.9
137.03352	0.3
137.05968	2.7
137.06824	0.1
137.07039	0.1
137.09586	0.1
139.03870	0.1
141.07138	0.2
145.02849	0.3
145.06465	0.8
145.10094	0.2
147.04373	0.5
147.11687	0.2
149.02318	0.7
149.05975	0.4
151.03886	0.3
151.07544	0.6
153.01817	8.6
153.05458	0.2
153.06952	0.2
154.02272	0.1
154.06490	0.2
155.04933	0.6
155.05978	0.1
155.08488	0.2
156.08063	1.0
157.06467	0.2
157.10120	0.1
159.04437	0.2
159.11691	0.1
161.05957	0.8
163.03932	1.2
163.07483	0.2
165.01822	3.6
165.05740	0.1
165.06990	0.6
166.02615	0.6
167.03394	0.1
168.05782	0.2
170.09612	0.1
171.02896	0.2
171.09183	0.2
172.09930	0.1
173.05974	1.2
173.10777	0.2
173.13248	0.1
177.01906	0.2
177.05496	0.3
179.03343	0.3
181.06458	0.2
182.07184	0.1
183.02864	1.4
183.04434	0.8
183.08000	0.6
187.03888	0.9
191.03406	0.4
191.07079	0.1
195.02925	0.5
196.05197	0.1
198.09209	0.2
199.08775	0.2
199.14786	0.2
200.04660	0.1
201.05458	4.0
203.03453	0.1
205.04959	0.5
207.02847	0.2
211.03857	0.4
211.07536	0.6
213.05507	0.2
215.03479	0.1
219.02896	0.2
219.06575	0.5
225.09180	0.1
226.88666	0.1
228.04156	0.6
228.07805	0.1
229.04950	8.7
230.05305	0.3
233.04558	0.1
239.03484	0.5
239.07053	0.3
243.10115	0.4
245.04449	0.2
246.05322	0.2
247.06032	1.4
248.06306	0.1
256.07074	0.1
257.04431	5.0
258.04868	0.1
259.10733	0.5
261.34216	0.1
271.09698	0.7
272.10370	0.1
274.04718	1.1
275.05338	0.5
279.61264	0.1
285.03915	2.3
285.22095	0.1
288.10092	0.1
303.04971	100.0
304.05313	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	303.0496
Annotation	Quercetin
Peak:m/z	Relative Intensity
52.12760	0.2
55.01862	0.2
58.08188	0.2
65.03922	0.4
68.93993	0.2
68.99789	1.3
70.65210	0.4
70.65581	0.3
73.63996	0.2
81.03396	0.6
93.03385	0.5
95.04954	0.7
97.02912	0.2
97.13113	0.2
109.02896	0.6
111.00815	1.4
117.07019	0.2
121.02848	1.5
123.04408	0.5
123.05258	0.2
127.03906	0.2
135.04442	0.4
137.02341	5.3
137.03400	0.3
145.06499	0.6
149.02350	0.9
153.01830	7.2
155.04881	0.7
157.06531	0.3
161.05984	0.5
163.03906	1.0
165.01822	2.9
166.02608	0.3
171.02808	0.2
173.06003	0.8
179.03430	0.3
183.02867	1.2
183.04451	0.7
184.76424	0.2
187.03920	0.7
195.02927	0.3
201.05467	3.2
205.04883	0.4
213.05365	0.3
215.03455	0.3
219.06538	0.6
221.68239	0.2
224.12097	0.2
228.04147	0.5
229.04951	7.5
233.04297	0.2
237.15965	0.2
239.03488	0.3
247.06061	1.0
257.04434	4.3
258.04971	0.3
274.04861	1.1
275.05539	0.5
285.03943	2.4
302.00552	0.2
303.04987	100.0
304.05347	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	303.0497
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.2
65.03938	0.6
67.01850	0.3
67.05485	0.2
68.99433	0.1
68.99789	1.7
69.03419	0.1
69.33994	0.5
69.34423	0.4
70.30772	0.1
72.64819	0.1
81.03441	0.5
91.05470	0.1
93.03408	0.5
95.04966	0.6
98.20695	0.1
103.05421	0.1
105.03366	0.1
107.04961	0.2
109.02887	0.8
110.03666	0.1
111.00800	1.7
111.04433	0.2
117.07023	0.3
119.04915	0.1
121.02862	1.9
123.04427	0.4
127.03917	0.5
129.06967	0.1
130.68906	0.1
131.04944	0.2
133.02864	0.1
133.06491	0.1
135.04417	0.4
137.02341	6.5
137.03333	0.3
137.05940	0.2
145.02850	0.1
145.06474	0.5
147.04338	0.1
149.02353	0.7
153.01823	8.9
154.02132	0.2
155.04913	0.7
157.06447	0.3
159.04424	0.2
161.05995	0.5
163.03894	1.3
165.01830	3.4
166.02667	0.5
171.02896	0.1
173.05989	1.1
177.01772	0.2
177.05492	0.3
179.03394	0.3
183.02879	1.1
183.04427	0.7
185.05919	0.1
187.03917	0.8
191.03380	0.3
191.06921	0.1
195.02875	0.4
201.05469	3.7
205.05002	0.4
207.02872	0.2
211.03893	0.5
213.05411	0.3
215.03394	0.2
219.02956	0.2
219.06543	0.4
228.04156	0.4
229.04959	8.1
230.05385	0.3
232.03548	0.2
239.03400	0.4
245.04501	0.2
246.05231	0.1
247.06030	1.3
257.04459	4.6
258.04874	0.1
258.33810	0.1
267.03036	0.1
274.04703	1.2
275.05450	0.4
285.03955	1.9
286.04437	0.1
303.04980	100.0
304.05319	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	303.0411
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10327	0.2
56.53952	0.3
56.96547	0.9
65.45544	0.3
66.62942	0.3
69.81365	1.8
82.99898	0.5
98.97578	3.3
99.97886	0.6
101.00858	0.6
106.14822	0.3
116.98607	4.6
119.01915	4.8
120.01992	0.4
120.97830	0.4
134.99660	2.9
135.99960	0.3
137.02933	2.5
138.98839	0.4
142.03474	0.3
145.86725	0.3
153.00739	1.0
158.99820	0.4
165.06796	0.3
165.99609	0.4
170.92239	0.3
177.00934	10.8
178.01062	2.3
179.00731	0.8
182.99789	0.6
195.02008	0.5
201.00909	0.7
201.02663	0.3
217.04082	2.5
218.03757	0.6
219.01987	19.9
220.02034	4.0
220.17885	0.3
221.01724	2.2
222.01929	0.9
223.99901	0.4
225.00813	2.5
226.00948	0.3
234.99817	0.7
242.03673	0.5
242.99492	0.3
243.01941	6.2
243.04199	0.3
244.02129	1.3
260.04651	0.3
261.03040	100.0
262.03149	21.2
262.99097	0.5
263.02859	2.5
266.03452	0.5
274.97586	0.4
278.97678	0.6
279.00595	4.0
279.98087	0.5
280.00586	1.4
281.00327	0.5
284.04642	4.7
284.99774	1.1
285.04761	1.9
286.04596	0.4
303.00800	2.3
303.05264	6.1
304.01108	0.4
304.05420	0.8
315.73001	0.3
320.98172	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0498
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	0.4
67.05496	0.5
68.99789	1.6
69.62405	1.7
72.68639	0.2
79.05498	0.2
81.03400	0.7
81.07057	0.5
91.05476	0.5
93.03407	0.8
93.07029	0.6
95.04939	0.7
95.08610	0.7
105.03399	0.3
108.54013	0.3
109.02879	0.6
109.06532	0.3
111.00811	2.0
111.04388	0.4
117.07040	0.4
119.89275	0.2
121.02857	2.2
123.04430	0.7
127.03866	0.5
131.04922	0.4
133.10077	0.2
133.98601	0.2
135.04382	0.5
137.02339	5.8
137.03345	0.3
137.05956	1.6
145.02888	0.3
145.06442	0.6
149.02338	0.7
153.01831	8.1
155.04916	0.6
156.93184	0.3
161.05966	0.7
163.03859	1.6
165.01823	3.3
166.02606	0.4
173.05963	1.1
179.03401	0.4
180.55869	0.2
183.02878	1.4
183.04404	0.7
187.03867	0.6
190.44591	0.3
195.02893	0.4
201.05489	4.1
205.04865	0.3
207.03053	0.2
211.03920	0.4
219.02885	0.2
219.06554	0.5
228.04138	0.6
229.04951	7.9
247.05951	0.8
257.04440	4.6
267.19403	0.3
274.04755	1.2
275.05408	0.5
285.03979	2.0
285.11893	0.3
303.04993	100.0
304.05359	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	303.0498
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.3
63.30066	0.2
65.03931	0.4
67.05495	0.3
68.99783	1.7
69.01112	0.1
69.03443	0.2
69.88635	0.6
69.89039	0.3
70.27692	0.1
76.57475	0.2
81.03387	0.4
93.03371	0.5
95.04965	0.8
105.03393	0.3
109.02882	0.9
111.00793	1.7
112.37759	0.2
117.07018	0.2
121.02866	2.0
122.69704	0.2
123.04431	0.5
127.03911	0.5
131.04918	0.4
133.06517	0.2
135.04451	0.4
137.02348	6.5
137.03386	0.4
137.05984	0.2
145.06483	0.6
149.02354	1.0
153.01826	7.9
154.02225	0.3
155.04942	0.8
159.04517	0.2
161.05975	0.7
163.03928	1.1
165.01857	3.6
166.02599	0.6
173.06013	1.2
177.05536	0.3
179.03448	0.3
183.02864	1.4
183.04416	0.8
187.03931	0.7
188.11020	0.2
191.03450	0.2
191.07028	0.2
191.66833	0.2
195.02927	0.4
201.05469	3.9
205.05003	0.4
207.02972	0.2
211.03963	0.3
213.05472	0.4
215.03412	0.2
219.02824	0.3
219.06491	0.4
228.04097	0.4
229.04971	8.6
230.05249	0.5
231.02841	0.2
239.03430	0.3
247.05978	1.0
257.04443	4.8
258.04810	0.2
274.02139	0.2
274.04813	1.4
275.05368	0.4
285.03998	2.0
303.04990	100.0
304.05338	4.0
306.19415	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.2073
Annotation	Ala Val Leu
Peak:m/z	Relative Intensity
52.76404	0.5
55.05510	5.2
56.05023	0.8
69.03407	0.6
69.71213	3.8
70.06583	1.8
72.08154	100.0
73.08488	1.1
85.02914	1.3
86.09705	18.1
93.07012	0.6
100.07607	1.3
114.45176	0.5
118.08762	0.7
132.10210	7.3
137.05977	0.8
140.07016	1.1
143.11797	73.0
144.12152	0.9
157.13341	4.8
171.11287	42.4
182.08157	1.0
185.12878	3.1
203.13965	1.6
226.85747	0.6
231.17065	2.8
257.86646	0.6
297.91989	0.7
303.04944	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	302.9986
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	1.0
56.96562	13.1
57.03429	1.4
61.02941	1.1
69.03438	1.7
71.49710	1.0
71.50043	1.5
73.02937	1.1
78.64938	0.8
81.03403	1.7
85.02917	2.2
98.97584	15.3
98.98235	1.4
98.98500	1.3
99.75000	1.0
100.56122	1.0
100.77745	1.0
109.02892	2.0
114.05584	1.0
116.98618	19.8
118.03584	0.9
119.01917	10.7
120.02005	5.2
121.01648	1.1
128.98625	1.3
131.01945	2.2
133.03435	1.0
134.99663	18.3
136.60497	0.9
137.02965	2.7
139.02502	0.9
143.00172	3.5
145.03481	4.3
146.03578	3.6
146.99660	1.9
153.00739	4.0
154.01192	1.0
154.94165	2.9
155.00168	1.1
157.00354	1.0
158.01343	1.4
158.97220	2.2
161.01230	5.5
161.02983	1.5
165.00673	1.5
171.01447	2.2
172.01521	1.2
172.95284	8.1
173.01263	3.4
173.02826	1.3
176.98326	3.8
177.00951	19.9
177.02412	1.7
178.00977	1.7
186.98254	1.8
187.04536	1.1
187.48306	1.3
187.98671	1.6
189.02473	3.0
190.02554	6.0
190.96312	7.4
195.01772	1.0
196.95456	1.1
197.97021	1.5
198.47174	1.2
198.96884	1.4
200.98367	8.2
201.00894	1.6
201.02620	1.1
201.94759	1.1
202.02635	1.6
203.00127	1.2
205.96017	1.3
208.00807	1.2
214.96526	19.3
215.97652	4.2
216.47656	2.0
216.94914	1.8
216.97629	1.3
217.04210	1.5
218.03542	1.7
218.97556	1.5
218.99567	3.0
219.02011	27.6
219.47987	1.1
220.02049	1.3
220.03955	1.0
220.99651	1.4
221.01714	2.1
224.98248	3.0
225.00966	1.3
225.95016	1.4
227.96407	1.3
228.97879	3.3
230.93869	1.5
232.93054	3.5
232.96751	1.8
238.95897	4.3
239.98215	1.1
242.03658	1.4
242.99480	3.5
243.02119	4.7
246.99011	5.0
249.95227	1.2
250.94263	1.5
254.93857	1.2
255.95325	5.9
256.97223	100.0
257.44928	1.5
257.96692	4.8
258.95474	2.2
260.97314	2.7
261.03055	79.6
261.97461	3.1
262.03000	12.1
263.02914	1.8
264.95740	4.1
265.45789	1.9
265.95496	1.7
267.95587	3.0
268.45828	2.4
272.94528	1.8
274.94241	16.6
274.97720	35.9
275.97763	2.3
276.96017	5.8
277.46017	4.3
277.95767	2.0
279.00262	1.6
279.98373	49.9
280.06030	2.9
280.98215	4.0
281.01819	2.4
284.04718	3.5
285.00528	1.7
289.46793	1.4
290.95779	1.3
290.99063	1.2
291.49698	1.6
292.95197	13.0
297.95837	2.3
297.99289	10.2
298.98657	26.2
299.02438	1.7
301.00916	1.2
303.01355	16.4
303.05457	5.3
314.96701	2.0
315.96664	2.7
316.96368	1.3
321.02530	2.3
322.00323	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1234
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.9
55.01861	3.0
55.05495	4.5
57.03438	4.5
61.02916	6.1
67.05498	7.2
69.03420	12.6
69.07087	1.7
70.06592	7.2
71.00385	3.3
71.04992	3.1
72.08153	42.0
73.02902	2.8
79.05484	6.6
81.03430	8.2
81.07062	7.6
85.02902	87.6
86.09714	13.7
91.03981	1.7
91.05524	1.7
95.04960	5.9
97.02280	2.3
97.02893	38.9
98.06044	1.4
99.04458	5.6
103.03935	6.9
107.04943	11.6
108.05305	2.6
108.08126	12.7
109.02890	11.6
111.04422	1.6
112.07603	6.7
120.72871	1.5
122.06020	8.4
123.04452	5.4
125.05975	6.1
126.05499	7.3
126.09155	3.8
127.03905	22.1
132.10187	3.6
133.81598	1.4
134.05956	1.4
135.04420	2.5
136.07579	20.8
137.05956	3.0
140.07059	52.6
143.04924	2.3
143.11794	29.5
145.04956	14.0
150.09129	6.0
151.07527	2.1
152.07053	18.6
153.05484	2.3
154.08659	6.0
157.13309	2.4
161.05980	1.6
163.06123	2.8
164.07042	20.9
171.11287	16.5
178.08626	22.0
182.08125	100.0
183.08266	2.7
203.13812	1.6
206.08119	47.8
207.08141	2.2
211.07483	2.2
218.08134	4.6
225.05544	1.6
225.09099	2.1
229.05000	2.0
236.09189	3.3
243.10197	1.9
248.09207	12.0
285.11215	5.0
302.11005	4.4
302.14191	7.9
302.16476	7.0
302.31000	1.6
303.05042	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	301.1797
Annotation	4-Androsten-3,17-dione 19-aldehyde
Peak:m/z	Relative Intensity
54.71978	2.3
59.70576	2.2
60.87566	1.8
67.05495	6.0
71.38158	3.2
79.05483	4.2
81.07061	100.0
91.05463	2.3
91.67191	2.3
95.08612	24.2
102.00115	2.0
119.04919	5.6
137.13255	31.6
147.04413	38.5
155.93797	2.3
165.05472	15.2
170.41821	2.1
222.30678	1.8
223.45575	1.9
233.97418	1.9
234.22220	1.8
319.90073	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	302.1233
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.6
56.96572	1.0
57.03427	2.7
58.00506	0.8
61.02913	4.0
65.03922	1.4
67.05506	23.2
69.03429	15.2
69.07067	9.0
70.06579	2.7
71.04990	1.8
71.59485	1.2
72.08154	1.5
73.02914	3.4
74.60511	0.8
81.03420	4.8
83.36334	0.8
84.04502	1.5
84.08131	3.4
85.02905	38.2
86.09702	4.6
91.05475	1.6
94.06553	1.7
95.04970	38.3
96.05327	0.9
96.20104	0.9
97.02890	26.6
97.03516	1.6
97.62778	0.8
98.97600	1.1
99.04452	3.0
101.66959	0.9
103.03946	3.7
103.05449	1.7
105.07096	0.9
107.04934	1.0
109.02897	7.4
112.07609	29.2
113.06022	2.2
115.04012	1.0
116.98583	1.0
119.04980	1.5
121.06496	3.0
122.06036	2.6
123.04415	2.6
126.10273	1.6
127.03923	8.1
129.10211	1.6
130.05006	1.9
136.07590	2.3
137.05977	11.5
139.03922	1.7
140.07063	100.0
141.07378	2.7
145.04982	3.8
146.99736	1.0
147.07646	1.2
150.09135	0.8
152.07021	1.4
153.01967	0.8
154.08644	5.9
162.06343	0.9
164.07088	1.9
170.08128	1.1
178.08621	2.4
179.07062	1.7
180.07431	1.8
182.08122	57.7
183.08456	2.2
197.01160	0.9
197.06108	0.9
206.08087	11.7
211.02888	0.9
211.07304	1.1
218.08121	1.8
219.01886	1.1
229.06020	1.2
236.06320	1.5
236.09149	2.5
237.02730	1.7
248.09120	7.9
250.84814	0.9
266.10208	1.2
267.11295	0.9
284.11310	1.9
302.08228	1.1
302.12201	3.0
303.05096	6.0
303.08176	1.5
303.13730	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1281
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69396	4.1
55.05508	7.6
57.03443	7.5
60.25428	4.1
61.02905	5.6
67.05506	24.1
69.03073	7.1
69.03430	100.0
69.07066	10.5
70.06585	16.3
71.05000	23.8
71.08631	4.9
71.58467	4.1
73.02905	7.4
74.07535	4.1
79.05482	7.1
79.14052	4.2
81.03426	8.5
81.07069	8.5
83.04957	5.4
84.04491	6.0
84.08123	5.5
84.26358	4.6
85.02901	58.1
85.07668	13.1
86.09701	8.5
91.05473	12.4
93.07041	8.6
95.04952	25.4
97.02905	22.7
99.04444	5.4
103.05467	8.5
105.07057	28.9
107.04942	9.7
109.02835	7.6
111.04432	8.4
112.07600	19.2
113.06033	5.1
115.05454	12.1
116.98618	4.4
117.07011	6.0
119.04948	13.1
119.08619	4.5
121.02850	4.7
121.06485	19.1
123.04461	8.5
127.03912	6.6
129.07007	19.9
131.04916	9.7
133.06482	25.8
135.04428	5.6
137.05969	14.8
137.13281	4.7
139.03871	13.9
140.06091	6.7
140.07068	58.2
143.04959	7.8
145.04974	6.3
145.06590	8.1
147.04413	24.9
149.05959	26.5
151.03893	6.4
151.07530	46.4
151.67509	4.3
157.06473	12.6
159.07951	6.3
161.05978	47.0
163.03902	6.7
165.05455	44.5
167.07063	9.8
173.05998	6.9
175.07549	13.7
176.96243	4.3
177.05496	8.8
179.07034	70.1
181.04897	4.7
182.08162	31.9
187.07562	5.5
189.05449	9.1
191.07053	10.7
195.06561	5.7
203.07008	24.2
221.08089	20.4
229.08630	10.0
237.02855	5.6
247.09676	36.1
248.09711	5.6
300.60757	4.2
301.06937	14.4
301.12585	14.0
305.00592	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	301.1797
Annotation	Mutisicoumaranone A
Peak:m/z	Relative Intensity
55.05502	4.7
57.07078	8.8
61.90088	4.1
67.05470	10.8
69.07064	7.3
71.05846	8.8
79.05489	8.9
81.07050	67.2
82.62593	4.0
85.15131	4.0
85.86647	4.1
91.05469	6.1
92.87927	3.8
93.07038	16.1
95.04979	5.6
95.08617	25.9
97.13692	4.0
105.07024	10.8
107.04945	100.0
107.08597	14.8
109.10175	7.6
119.04896	4.6
121.06473	4.6
121.10185	4.3
133.06494	8.3
135.08002	4.5
135.11681	19.8
137.13255	23.6
143.08464	4.6
145.06454	16.5
147.04408	15.5
148.04729	8.9
149.05959	6.0
157.06544	5.8
159.04480	6.8
161.13210	12.3
166.63049	4.7
177.05476	17.7
192.95067	4.3
199.11316	4.2
231.10306	4.2
255.17519	15.2
283.16904	18.1
301.03418	6.2
301.18082	20.3
301.21295	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	301.1796
Annotation	4-Androsten-3,17-dione 19-aldehyde
Peak:m/z	Relative Intensity
52.18940	9.9
61.38224	10.4
70.08313	25.2
70.08730	27.1
81.07046	100.0
83.44263	10.3
96.06020	9.3
98.20791	9.7
105.39513	10.2
118.17102	9.6
120.31213	11.2
137.13269	29.1
147.86499	9.7
162.40147	9.9
163.47935	9.8
177.72841	12.0
244.58949	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	301.128
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60552	3.1
55.01866	6.6
57.03435	6.7
57.07072	3.9
61.02920	5.0
67.05504	17.1
69.03426	100.0
69.07050	4.1
70.06582	16.1
70.62801	3.7
71.04986	14.9
71.61783	5.9
71.62791	3.5
72.08160	6.6
73.02895	7.3
79.05461	4.2
81.03394	3.7
81.07040	6.4
83.04987	4.6
84.08159	5.9
85.02906	35.0
85.07659	7.1
91.05461	17.6
93.07015	8.2
95.04971	22.2
95.08616	6.3
97.02896	27.4
103.05458	12.2
105.07014	27.4
107.05039	3.7
107.08621	4.8
109.02895	4.8
111.04429	7.8
112.07607	16.7
115.05432	10.6
119.04924	8.5
119.08546	4.0
121.06486	19.2
121.10180	3.3
123.04385	9.2
127.03886	6.2
129.05473	6.4
129.07001	13.2
131.04933	8.3
133.06487	19.2
137.05983	17.8
138.05505	5.6
139.03900	15.6
140.07056	50.6
143.04892	6.5
145.06488	5.8
147.04393	18.7
149.05946	25.1
151.03891	8.3
151.07544	48.5
157.06485	13.8
161.05965	53.9
163.03841	7.8
165.05489	44.8
167.07037	11.9
173.05986	5.5
175.07503	8.8
177.05505	6.3
178.03847	4.5
178.08551	4.2
179.07027	67.0
182.08138	29.1
183.08049	3.9
185.05989	8.3
187.07538	6.3
188.46268	4.5
189.05504	16.4
191.06993	8.8
195.06503	4.1
201.09140	4.5
203.07040	23.6
205.08557	5.3
206.08072	5.7
211.07530	4.6
221.08055	16.6
229.08577	9.6
247.09656	40.6
273.07587	3.6
301.03613	6.0
301.07028	15.3
301.12567	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	301.0704
Annotation	Chrysoeriol
Peak:m/z	Relative Intensity
50.34777	0.1
62.40187	0.2
69.45284	1.1
69.45692	0.2
71.73331	0.1
78.33171	0.1
88.93971	0.2
103.45466	0.2
105.07064	0.2
121.02843	0.2
121.88391	0.1
137.05917	0.4
149.06000	0.3
153.01775	1.2
168.62726	0.2
181.06436	0.2
215.06973	0.2
217.28928	0.2
221.46756	0.2
226.06396	0.2
229.04865	1.5
230.05510	0.2
241.08708	0.2
257.04489	0.7
258.05225	38.0
259.05646	1.5
263.77475	0.2
285.03922	0.2
286.04697	50.3
287.05081	2.2
301.07047	100.0
302.07385	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	301.0706
Annotation	Peltogynone
Peak:m/z	Relative Intensity
50.17019	0.1
50.88900	0.1
53.80152	0.2
55.01871	0.3
56.96566	2.1
65.03934	2.3
67.05493	0.4
70.34695	0.6
71.01345	0.3
72.93786	0.6
76.33436	0.1
79.05486	0.3
81.03435	0.2
81.07054	0.3
90.94822	0.3
91.05474	0.5
93.07042	0.5
94.38768	0.1
95.04958	0.2
95.08601	0.4
97.06486	0.1
98.97581	0.2
105.07029	0.2
107.04965	0.7
107.08627	0.3
109.10158	0.3
111.04443	3.4
113.96375	0.2
119.04924	1.6
120.05293	0.2
121.02866	100.0
122.03185	2.3
123.04455	0.3
131.08530	0.2
131.97481	0.2
133.02884	0.2
133.10132	0.2
135.11697	0.4
136.12036	0.2
137.02315	0.2
137.09599	0.2
137.13319	0.1
147.04404	3.2
148.04752	0.6
149.04968	0.4
152.96385	0.3
153.07033	0.3
157.06496	0.4
163.03917	1.5
165.07033	0.3
166.97939	0.3
170.97423	0.6
175.00726	0.2
178.97887	0.3
181.06525	0.5
184.98993	0.2
185.06010	0.3
192.99509	0.8
193.01759	0.8
196.98991	0.2
197.58504	0.2
199.07538	0.2
208.00549	0.2
209.01181	0.8
209.05971	0.2
211.00764	0.3
211.02798	1.4
213.05469	1.6
216.01125	0.5
218.99750	0.2
227.02248	0.5
229.03848	0.6
234.02051	0.2
237.00720	1.8
239.07007	0.4
241.04948	2.2
242.05685	0.6
255.01753	4.1
255.06500	0.6
260.00076	0.5
260.02499	0.2
273.02814	5.7
278.00809	1.5
278.03830	0.9
283.06082	0.7
286.04721	0.2
296.04443	0.9
301.03357	1.0
301.07043	1.0
301.10434	0.3
301.13770	0.2
301.17026	0.3
301.21533	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0495
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96564	25.5
56.96967	0.9
67.05458	0.4
69.07044	0.6
71.23286	0.5
74.97580	0.7
81.07013	1.1
85.02827	0.3
91.05433	1.1
93.06990	0.7
93.34892	0.3
95.08574	0.8
98.97548	0.3
101.84324	0.3
105.07008	0.6
107.04909	0.7
107.08541	1.0
109.10137	0.5
119.04941	0.7
119.08527	0.4
121.06429	0.4
121.10127	0.5
129.06966	0.3
133.10100	0.6
137.05913	0.7
137.13225	0.3
147.04344	0.6
147.11620	0.4
152.06258	0.5
152.68793	0.3
153.06956	1.0
159.11699	0.4
165.02206	0.4
165.06982	0.6
167.00076	0.3
169.01677	0.4
169.06410	0.5
170.07195	0.4
175.00656	3.7
177.06851	0.3
181.01692	1.4
181.06436	1.7
182.07288	0.4
183.03189	0.6
183.08000	0.4
185.01157	0.9
187.07443	0.6
191.00108	1.0
193.01726	14.1
195.08072	0.7
197.01205	0.3
197.06013	0.4
198.06749	0.7
199.02786	1.4
201.16235	0.3
204.98181	0.4
206.99606	0.4
209.01215	10.9
209.05876	0.6
211.02768	16.1
213.00719	0.7
213.05397	0.4
213.09160	0.6
216.03304	1.4
218.99554	3.0
222.99130	0.7
223.07544	0.3
223.43353	0.3
225.00771	1.9
226.06219	1.1
227.02232	6.2
227.06914	0.4
229.03815	7.0
232.02780	1.1
234.04408	1.2
237.00674	9.1
241.08600	1.0
252.05400	0.5
255.01752	52.8
256.02023	0.7
258.05225	1.0
260.02191	1.7
269.07983	0.3
273.02798	100.0
274.03226	1.6
275.03275	0.7
278.03351	16.2
283.05969	0.7
286.04752	0.9
286.12244	0.3
291.03876	2.6
296.04407	15.5
301.04291	0.9
301.07104	2.9
301.10696	7.4
301.14053	0.7
301.21594	0.9
301.24908	0.4
319.06006	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0494
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29308	0.4
56.96508	21.9
67.05476	0.3
70.85150	1.0
77.86254	0.3
84.21006	0.3
93.06997	0.6
107.08525	0.4
118.79865	0.3
119.08533	0.4
120.71710	0.3
121.02867	4.0
147.04321	0.9
165.02187	0.7
175.00656	3.9
181.01599	1.2
185.01155	0.7
191.00084	1.3
193.01723	13.5
197.01144	0.4
199.02722	0.6
200.98615	0.4
206.99573	0.6
209.01218	10.2
211.02769	15.3
213.00754	0.8
216.03233	0.8
218.99496	2.8
225.00735	2.3
227.02254	6.3
229.03813	6.4
232.02742	1.0
234.04343	1.3
237.00670	9.2
250.03928	0.4
252.05405	0.6
255.01752	53.8
256.02209	0.6
260.02365	1.3
273.02805	100.0
274.03171	1.3
275.03253	0.7
278.03360	12.4
279.03632	0.6
291.03867	2.7
296.04407	13.9
301.04544	0.8
301.07535	0.5
301.10339	0.4
301.21692	0.4
310.40924	0.3
319.05917	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.1593
Annotation	Norarmepavine
Peak:m/z	Relative Intensity
53.03941	0.5
55.01856	0.4
62.83963	0.4
69.03416	1.2
70.06582	0.7
70.22160	1.0
70.22560	0.8
79.05486	1.7
81.03396	0.5
81.07040	0.7
85.02898	0.8
86.09715	0.7
91.05479	1.8
91.69721	0.4
93.07039	1.5
95.04967	1.7
103.05473	0.6
105.07032	0.9
107.04949	100.0
108.05276	1.5
115.05435	1.0
116.98656	0.5
117.07021	1.7
119.04950	1.0
121.02924	0.5
121.06484	3.7
127.03916	1.4
128.06232	0.6
129.06966	0.6
130.08719	0.5
131.04913	1.5
136.05190	1.3
136.12016	0.9
137.02310	1.3
137.05983	1.8
138.02644	1.0
138.05467	2.0
138.09094	0.7
143.04919	0.9
144.05684	0.8
145.06480	10.4
146.05887	0.4
146.07179	1.5
147.04413	1.0
148.04765	0.5
151.07538	9.3
152.06207	0.6
155.03429	0.9
155.06082	0.5
158.07274	3.8
159.04440	0.9
159.08073	0.7
161.05930	1.5
163.03925	1.2
165.09085	2.4
167.06989	1.1
174.06761	6.1
174.09113	0.5
175.07477	0.9
176.08243	1.8
177.09126	3.1
179.01535	0.4
179.08476	0.9
181.06590	0.5
189.09088	14.2
190.09602	0.5
191.08557	0.7
192.10184	0.6
195.07991	1.1
197.05870	0.4
197.09502	0.7
205.06496	0.4
207.08005	1.2
208.08653	0.7
209.09708	0.6
211.07559	0.5
219.07982	1.4
221.05974	0.9
221.09654	1.7
223.07611	0.4
224.08214	0.5
225.09018	0.9
234.10458	2.7
235.07498	3.1
236.08289	0.9
237.09061	4.3
238.09662	0.5
239.06992	0.6
241.08575	0.8
245.04500	0.7
249.09277	0.5
250.09846	5.3
251.06984	1.2
251.10561	1.6
252.11430	10.6
253.08521	1.4
254.09250	1.4
265.12210	8.0
268.07300	0.8
268.10934	8.8
269.08160	1.1
269.11636	0.7
273.03986	1.2
283.13281	45.4
284.09171	2.3
284.13559	1.4
285.09940	1.7
300.12485	7.4
300.15897	49.9
301.03506	2.4
301.06653	0.7
301.10791	1.2
301.16229	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.1593
Annotation	(S)-N-Methylcoclaurine
Peak:m/z	Relative Intensity
52.59206	0.3
71.39249	0.6
79.05466	0.8
81.07019	0.4
91.05476	1.2
93.07038	1.1
95.04968	0.9
103.05479	0.5
107.04950	71.6
108.05286	0.9
114.09189	1.0
115.05464	3.7
117.07031	1.3
119.04935	1.5
121.06505	4.9
130.08649	0.4
131.04955	1.5
133.06485	1.1
135.11729	0.4
136.12019	0.4
137.05975	6.8
142.08643	0.7
142.12300	0.5
143.04926	7.9
145.06480	5.1
147.04439	0.8
147.08070	0.8
149.06010	1.1
151.07552	1.2
159.14951	0.5
160.05208	2.6
161.05807	0.5
163.03929	0.8
163.06351	0.5
163.07527	2.4
164.04259	1.3
166.07817	0.4
167.08569	0.7
175.07555	12.4
176.07965	0.5
177.05583	0.4
178.08633	1.0
179.08578	1.0
180.10216	0.8
181.06503	0.9
181.10144	1.0
182.07210	0.7
183.07973	0.6
190.07721	0.5
191.08565	2.2
192.06685	0.3
192.10202	1.7
194.07283	2.6
195.07973	0.7
197.09607	4.0
207.64024	0.4
209.09604	6.7
210.06732	0.7
211.07562	0.9
211.11182	0.6
212.08199	0.4
219.08109	1.4
224.08221	0.4
225.09077	2.3
227.07204	0.5
236.08334	0.4
237.09085	9.6
238.09627	1.0
239.07080	0.8
239.10576	0.7
241.08698	0.4
251.10719	0.4
252.11397	0.6
254.09286	2.6
257.11829	2.1
268.10928	0.7
269.11703	18.8
269.18509	0.7
270.12024	0.5
271.13321	1.0
283.13391	0.7
300.15927	100.0
301.10938	0.4
301.16269	4.0
305.64621	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.1592
Annotation	(S)-N-Methylcoclaurine
Peak:m/z	Relative Intensity
51.02155	0.3
53.03929	0.5
56.81703	0.3
60.68822	0.2
69.57844	1.6
69.58259	0.6
79.05471	0.7
81.07043	0.3
91.05441	1.5
93.07039	1.2
93.90125	0.3
95.04954	0.9
95.99695	0.3
103.05480	0.9
105.07058	0.4
107.04949	73.3
108.05221	1.4
109.06558	0.4
115.05449	7.5
117.07018	1.4
119.04950	0.6
119.08543	0.3
121.02861	1.0
121.06506	5.6
131.04916	1.3
133.06499	0.4
137.05974	6.4
143.04919	11.9
144.05695	0.5
145.06483	6.6
147.04388	0.4
151.07520	1.0
160.05190	0.7
161.05937	0.7
162.09181	0.4
163.07530	0.7
165.06906	0.5
166.07796	0.4
174.06671	0.3
175.07542	4.9
177.07872	1.1
177.09219	0.5
178.08633	1.1
180.10223	1.7
181.06450	0.9
181.10081	0.8
183.07994	0.3
189.09090	0.4
190.07777	0.3
191.08511	1.5
192.10188	6.4
194.07243	2.7
195.08075	0.5
197.09587	0.4
205.06381	0.3
206.11885	0.3
207.08153	0.3
209.05978	0.3
209.09618	5.5
211.07550	0.5
211.11176	0.6
217.04950	1.2
219.08070	1.5
223.07669	0.3
225.05484	0.3
235.07375	0.4
236.08438	0.4
237.09097	6.7
238.09605	0.6
239.07068	1.5
239.10573	0.4
240.07533	0.4
245.04477	0.6
251.10680	0.8
254.09331	0.9
268.13416	0.4
269.11697	12.2
270.11826	0.5
271.13422	1.0
273.03949	1.1
283.13123	0.5
300.15927	100.0
301.03387	2.3
301.10809	0.3
301.16238	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	300.1593
Annotation	Noranicanine
Peak:m/z	Relative Intensity
69.26751	5.4
70.06574	1.0
72.08159	0.6
78.04182	0.4
79.05483	0.7
86.09676	0.9
91.05464	0.9
93.07018	1.2
95.04949	0.8
103.05441	0.4
105.70263	0.5
107.04949	39.6
107.08553	0.9
108.05238	0.5
108.08875	0.6
115.05434	2.0
115.43112	0.4
119.04897	0.6
121.06506	3.4
131.04904	1.1
135.11713	0.6
136.11995	0.8
137.05963	4.0
138.05472	0.7
143.04933	3.5
145.06454	5.5
146.99747	0.5
147.04388	1.2
148.04710	0.8
149.06006	0.8
151.07510	1.4
153.06972	0.8
155.66336	0.4
160.05147	0.9
161.08171	0.5
163.03845	0.6
163.07574	0.8
165.05650	0.5
165.06979	1.9
166.07748	0.5
167.08536	1.1
169.10101	0.5
175.07530	5.6
177.05489	0.6
177.06960	0.7
179.08522	1.7
180.10345	0.5
181.06493	2.9
181.10068	1.1
182.07198	1.1
183.08052	1.2
189.09146	0.8
191.08530	2.0
192.10156	0.5
193.06494	1.1
193.10393	0.5
194.07281	2.6
195.08000	3.2
196.05194	0.6
196.08766	1.5
197.05939	1.5
197.09627	3.3
198.06708	0.8
205.06502	0.6
207.07999	3.1
208.08838	3.9
209.05930	1.3
209.09599	6.9
210.06728	1.9
210.10307	1.2
211.07555	5.5
211.11223	0.6
213.09035	0.9
218.07297	0.6
219.08029	2.4
220.08742	0.7
221.06015	2.5
221.09636	2.5
222.06702	1.2
222.10281	0.5
223.07494	2.3
223.11192	1.0
224.08237	7.7
225.05440	1.2
225.09033	6.9
226.06177	1.2
226.09778	2.5
227.07001	1.2
227.09407	0.5
233.05907	0.8
234.10448	0.7
235.07544	3.2
235.11102	0.6
236.08263	6.6
237.09087	20.1
238.06184	0.5
238.09785	2.3
239.07034	7.2
239.10583	3.6
240.07753	2.5
240.11426	1.2
241.08624	4.7
241.10902	0.5
241.12048	0.6
242.09402	2.2
242.11517	0.4
250.09715	0.7
251.07045	2.2
251.10684	3.1
252.11458	19.1
253.08597	12.1
253.11855	1.2
254.09369	16.0
254.11609	0.5
255.10127	4.7
256.10919	3.3
257.11771	3.8
267.10117	0.6
268.10938	19.4
269.08133	1.4
269.11652	9.6
271.05856	0.5
271.12997	1.0
282.11148	0.7
283.13272	19.3
284.09183	1.2
284.13492	0.9
285.07434	1.5
285.10065	1.1
291.65381	0.5
300.12488	5.0
300.15897	100.0
301.10660	1.0
301.16235	4.2
311.55453	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.1441
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.6
55.01862	0.2
55.85451	0.1
56.96550	0.2
57.03444	0.3
58.85245	0.1
61.02911	0.6
62.74969	0.1
65.46268	0.1
65.49396	0.1
67.93546	0.1
69.03092	0.2
69.03412	1.2
69.59534	1.3
70.06549	0.2
73.02912	0.3
76.81486	0.1
79.05498	0.1
80.34013	0.2
81.03393	0.5
85.02900	3.9
87.04425	0.3
90.41342	0.1
91.05475	2.4
93.07038	5.4
95.04975	1.0
97.02885	1.3
98.97586	0.4
99.04510	0.2
103.05466	3.2
103.07572	0.2
103.52262	0.2
104.35626	0.1
105.04533	0.2
109.02874	0.3
116.98643	0.2
121.06495	100.0
122.06823	2.2
127.03899	0.8
138.05496	1.0
138.09129	8.5
139.05013	0.3
139.09448	0.3
140.03360	0.2
145.04955	0.5
163.07437	0.2
169.04439	0.3
172.96167	0.1
180.10205	0.2
203.97507	0.2
220.07570	0.2
237.02841	0.2
264.12265	0.2
282.13321	2.1
300.10736	0.6
300.14340	4.9
321.10498	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.5
55.01863	0.2
57.03431	0.2
57.83478	0.2
61.02916	0.5
62.06081	0.4
69.03427	1.1
69.42441	1.5
69.42778	0.3
73.02907	0.2
78.57845	0.2
81.03396	0.4
85.02907	3.7
91.05472	2.7
93.07045	5.2
93.86813	0.1
94.06599	0.4
95.04951	1.0
97.02869	0.9
103.05470	3.1
109.02879	0.5
110.06030	0.3
121.06505	100.0
122.06839	2.2
127.03883	0.8
138.05504	15.6
138.09134	8.2
138.10219	0.3
139.05830	0.4
145.04985	0.5
154.41829	0.2
168.08881	0.2
175.32800	0.2
180.10110	0.2
193.07030	0.2
198.98553	0.4
214.44621	0.2
277.52481	0.2
282.13318	1.0
300.10809	6.7
300.14453	4.0
301.11197	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.1593
Annotation	Norarmepavine
Peak:m/z	Relative Intensity
55.01860	0.8
58.46530	0.6
65.44925	0.6
66.95173	0.7
67.27140	0.5
69.03429	1.1
69.07080	0.6
70.06579	2.2
70.72803	1.2
70.73203	1.3
81.07051	1.3
85.68661	0.8
86.09714	0.9
88.46576	0.8
91.05488	1.8
93.07013	1.2
97.02901	0.6
107.04951	12.7
107.08556	1.1
108.08926	0.7
116.07085	0.9
118.75570	0.6
119.04971	1.6
121.06516	2.6
131.04973	0.9
132.05696	1.1
133.06461	0.7
134.09482	0.7
135.04480	0.9
135.11693	0.9
136.06203	10.8
136.12062	0.9
137.05861	1.0
138.05507	1.6
143.04875	0.8
145.06483	1.7
147.04414	3.3
148.04747	1.0
151.07559	1.3
161.63420	0.7
163.03909	0.8
165.06982	3.1
167.08501	1.5
174.06645	0.7
175.07607	1.6
177.06978	0.9
178.07777	1.3
179.08549	2.7
181.06505	3.7
181.10156	1.2
182.07204	1.4
183.08014	2.3
189.09084	1.4
191.08562	2.1
193.03145	2.0
193.06477	2.3
194.07204	3.5
195.08066	2.7
196.08733	2.0
197.06056	2.2
197.09634	3.0
199.07617	1.3
201.09178	1.0
203.08545	0.8
206.07141	1.1
207.08070	5.5
208.08824	7.3
209.05940	2.8
209.09610	7.9
210.06738	3.6
210.10408	1.6
211.04536	0.8
211.07535	9.0
212.08318	1.2
219.08052	3.4
220.08832	1.0
221.05983	3.5
221.09634	3.9
222.06783	0.8
223.07579	4.3
223.11122	1.9
224.08269	14.3
225.05577	1.2
225.09120	9.4
226.06158	0.8
226.09869	4.6
227.06897	2.1
234.10413	0.9
235.07582	4.1
235.11234	0.9
236.08336	11.5
237.09105	29.1
238.09773	3.0
239.07053	13.2
239.10695	5.9
240.07751	5.2
240.11449	1.9
241.08681	6.2
241.12262	0.8
242.09348	3.5
242.11670	1.2
250.09898	1.6
251.10698	6.1
252.11456	36.6
253.08630	23.3
253.11871	2.8
254.09381	25.6
255.10132	8.2
256.10938	4.8
257.11703	3.8
265.12274	2.6
267.10165	1.1
268.10950	31.3
269.11459	2.6
271.13306	1.0
282.10349	4.3
283.13287	40.0
284.13727	1.2
300.15948	100.0
301.16193	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	300.1078
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.2
55.01860	0.7
56.96545	0.3
57.03437	0.4
60.37776	0.2
61.02911	0.4
65.03932	2.9
65.91009	0.2
69.03420	0.8
70.06593	1.9
70.12343	0.8
70.12756	0.5
71.04966	0.3
73.02910	0.2
81.03414	0.4
84.04520	0.2
85.02896	3.6
86.09729	0.2
91.05453	0.3
92.04969	0.5
92.05811	0.2
93.03410	0.5
93.07030	0.6
95.04961	0.4
97.02888	1.0
98.97562	0.2
99.04456	0.2
107.05021	0.3
107.08587	0.7
108.08904	0.3
109.02872	0.5
111.04442	3.4
112.07595	1.5
120.04468	8.8
121.04010	1.8
121.05244	10.7
121.06499	4.5
122.05941	0.2
124.03935	0.3
127.03893	0.5
135.11682	0.7
136.12022	0.5
137.02287	0.3
138.05499	100.0
139.05832	1.0
140.07056	0.6
145.04930	0.4
147.04428	1.0
148.04706	1.1
240.04311	0.2
267.14877	0.3
276.77649	0.2
300.06265	0.4
300.11548	0.3
300.19211	1.0
301.07486	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.1078
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	0.1
53.03941	0.4
53.19061	0.1
55.01857	0.2
57.03426	0.3
61.02911	0.3
62.06076	0.2
65.03956	0.1
69.03424	1.0
70.36021	0.4
73.02917	0.2
77.03911	0.2
79.93748	0.1
81.03410	0.4
85.02901	3.3
87.04465	0.1
89.71111	0.1
91.03931	0.2
91.05475	3.0
93.07037	6.8
94.06584	0.5
95.04964	1.2
97.02882	0.9
103.04781	0.2
103.05460	3.2
105.04501	0.2
108.01855	0.1
109.02869	0.4
110.06051	0.5
121.06495	100.0
122.06837	0.7
127.03905	0.6
138.05492	20.4
138.09119	7.6
139.05817	0.1
145.04927	0.5
180.10175	0.2
198.98589	0.2
264.12396	0.1
282.13406	1.1
300.10715	7.7
300.14331	3.8
301.11124	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.1076
Annotation	anthraniloyl-O-glucose
Peak:m/z	Relative Intensity
53.50279	0.2
59.04987	0.3
65.03940	0.4
65.45380	0.2
69.03400	0.3
69.72531	1.5
70.06582	0.8
84.08120	0.2
85.02909	0.8
91.05476	0.4
92.04971	0.4
93.07031	0.6
94.06569	1.9
94.07368	0.2
96.04507	0.2
97.02915	0.4
98.20750	0.4
107.05012	0.3
107.08582	0.6
108.08910	0.3
109.10233	0.3
110.06039	1.7
111.04457	0.4
120.04455	0.8
121.05227	1.3
121.06505	1.8
121.08620	0.7
135.11716	0.8
135.73993	0.2
136.06149	0.6
136.12054	0.5
138.05496	100.0
139.05841	1.6
140.07079	0.4
144.66946	0.2
147.04384	0.9
148.04739	0.9
166.08565	0.2
289.11011	0.2
300.05975	0.2
300.10693	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1852
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	5.0
55.01874	3.6
55.05513	24.2
57.03430	10.3
57.07079	4.0
59.04992	4.2
61.02938	2.2
67.05502	22.0
69.03428	15.5
69.07066	13.4
69.37194	2.0
69.55558	17.6
71.04991	46.7
73.02916	38.5
73.06557	2.2
75.04473	6.9
79.05495	16.4
81.03414	6.4
81.07058	35.0
83.04986	22.3
83.08613	6.5
85.02917	23.0
85.06548	5.6
87.04469	5.2
88.37134	2.0
91.05476	20.9
93.07038	34.4
95.04972	15.5
95.08608	18.8
96.87175	2.1
97.02910	2.7
97.06528	7.5
99.04450	8.7
99.08107	5.9
100.11288	2.7
101.06036	4.0
103.05455	3.6
105.07031	27.2
107.04952	88.5
107.08594	43.6
109.06518	56.4
109.10149	42.8
109.10824	3.6
111.04447	8.4
111.08094	6.0
113.05997	5.1
115.05457	8.2
117.05491	14.6
117.07021	8.3
119.04935	6.6
119.07778	3.7
119.08572	36.0
120.98306	2.3
121.02853	2.2
121.06496	24.3
121.10149	11.5
123.08052	14.2
123.11696	5.2
125.05992	5.3
127.11176	7.4
129.05473	5.7
131.04898	2.6
131.08556	14.7
133.06502	6.2
133.10117	9.6
135.08063	7.5
135.11691	27.3
137.02362	5.5
137.05942	13.9
137.09612	15.2
139.11180	5.3
143.04924	13.1
143.07019	3.1
143.08560	4.1
145.06520	8.0
145.10133	6.9
147.04388	15.1
147.08044	21.1
147.11674	6.9
149.06007	2.9
149.09642	8.0
149.13243	4.0
151.03949	2.0
151.07576	7.1
151.11174	14.5
153.12775	4.8
157.10097	5.5
159.08092	5.7
159.11691	9.6
161.09575	3.7
161.13261	3.3
163.07487	3.3
163.11162	9.3
165.12752	47.4
166.08693	2.2
171.11725	3.8
173.09628	3.2
173.13297	6.5
175.07553	4.9
175.11208	11.9
177.09120	4.6
177.12740	25.4
181.12282	2.5
183.11742	2.7
187.11180	3.5
189.12779	5.8
191.08630	2.5
192.10201	5.0
193.10616	2.0
193.12254	7.7
194.07283	3.2
195.13811	29.9
201.12798	4.6
203.14255	2.1
205.12288	3.1
207.08031	4.3
207.13791	5.0
209.09613	7.6
211.11320	2.0
213.11217	2.9
218.16005	2.1
219.13831	10.8
223.13156	2.2
235.07452	2.3
237.09077	6.5
237.14937	10.7
245.15263	9.8
252.81335	1.9
263.08911	2.0
263.16440	9.0
265.12408	2.0
267.09796	2.1
269.11664	12.0
281.09946	4.7
281.17429	10.9
283.13388	3.6
299.05933	2.5
299.09299	2.1
299.18500	21.2
300.12640	4.0
300.15915	100.0
316.46585	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1641
Annotation	Acerogenin B
Peak:m/z	Relative Intensity
53.03928	3.0
54.58990	1.5
55.05491	5.6
57.07072	3.3
61.44199	1.6
66.63347	1.7
67.05491	7.4
69.07047	6.1
71.31783	2.8
72.82835	1.8
79.05495	15.4
81.07047	13.2
83.08599	2.5
91.05481	23.1
93.07042	100.0
95.04951	6.2
95.08594	7.0
103.05471	7.3
105.07015	10.2
107.04965	14.2
107.07861	4.1
107.08590	81.5
109.10159	12.2
115.05486	3.2
117.07010	9.1
119.04952	9.9
119.08583	2.9
121.06513	5.5
121.10146	9.2
123.11710	8.0
129.07002	2.9
131.04936	11.1
131.08524	1.9
133.06494	3.4
135.11691	67.6
136.12440	2.4
141.06978	4.1
145.06500	15.3
145.96425	1.9
147.04410	68.2
147.08058	2.0
149.05974	7.6
153.06999	2.6
155.08531	2.6
157.06473	5.3
159.04395	6.2
159.08076	2.3
159.11617	2.1
161.05994	2.2
165.05472	7.8
165.06873	2.1
169.06453	3.9
171.08052	3.5
173.05968	18.3
177.05464	51.8
179.08588	8.0
181.06453	3.7
182.07327	3.0
183.08099	4.3
185.05975	4.4
191.07024	28.9
197.06027	9.3
197.09676	6.1
199.07619	4.3
201.05446	4.4
201.09122	4.5
205.08606	6.1
207.08067	2.3
210.06682	2.5
211.07539	7.5
211.11188	4.9
213.61929	1.9
215.07043	32.0
217.08539	3.6
225.01080	1.7
225.09114	18.7
229.08565	6.4
243.10173	36.2
249.41803	1.8
253.15863	5.4
263.14319	5.2
281.15344	78.9
281.18454	3.8
282.15628	3.0
288.82797	2.2
298.71793	26.6
299.16422	79.4
299.21906	3.6
299.31458	6.2
300.16708	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	299.1641
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82781	0.5
53.03936	0.7
55.05499	0.8
62.68519	0.5
65.03935	1.2
67.05502	0.9
69.07059	1.6
70.07932	2.3
79.05489	9.1
81.07057	0.7
82.77422	0.5
91.05476	17.3
93.07043	27.0
95.04949	1.2
95.22174	0.5
98.21500	0.7
105.07046	2.4
107.08594	68.8
108.08916	0.5
109.06510	1.8
119.04941	26.1
123.81710	0.5
135.11691	86.7
136.12019	2.4
147.04408	100.0
148.04710	1.7
148.05792	0.5
165.05513	3.7
256.34540	0.6
299.16449	4.7
303.29434	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.164
Annotation	Acerogenin B
Peak:m/z	Relative Intensity
65.03925	0.6
67.05484	0.4
69.07052	0.3
71.00567	0.5
75.38020	0.3
79.05482	1.8
81.07062	0.2
91.05478	4.8
91.49433	0.3
93.07042	5.0
98.84424	0.3
105.07014	0.4
107.08589	10.7
108.08837	0.3
109.06522	0.3
110.78150	0.3
112.67355	0.2
119.04938	16.4
120.05318	0.4
135.11685	11.7
136.11998	0.4
147.04402	100.0
148.04704	1.9
165.05460	0.8
173.57965	0.2
175.07100	0.3
299.16391	5.6
300.16983	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.164
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	0.4
53.03943	1.0
55.05509	1.3
57.00483	0.3
65.03938	0.9
67.05502	2.5
69.07064	0.6
69.19473	0.3
70.75249	0.8
70.75614	0.7
72.92616	0.3
79.05488	9.5
81.07053	2.3
88.84367	0.3
91.04895	0.5
91.05474	12.8
93.07039	43.8
95.04951	1.6
105.04546	0.5
105.07020	2.4
106.90007	0.3
107.08589	68.5
108.08907	0.3
109.06499	1.4
119.04939	14.9
135.11685	64.2
136.11993	0.4
147.04402	100.0
148.04750	0.4
154.00787	0.3
165.05484	7.1
258.49905	0.4
299.16412	5.2
311.85062	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1643
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.1
55.05507	1.4
65.03937	1.4
67.05506	1.3
69.07065	1.3
70.10580	0.6
71.47047	1.0
79.05502	8.4
81.07043	1.7
83.84267	0.6
83.99467	0.6
84.89354	0.5
91.05491	15.2
93.07050	42.0
94.07381	0.5
95.04973	2.6
95.08675	0.6
105.07019	2.0
107.04935	3.4
107.08600	48.3
109.06504	0.7
117.07037	0.6
119.04099	1.2
119.04952	22.7
131.08592	0.8
133.06458	0.8
135.11696	57.8
136.11980	1.1
147.04416	100.0
148.04753	2.4
159.11685	1.2
165.05481	7.8
183.08102	0.8
197.09676	0.9
205.12256	1.9
253.15945	1.7
267.33276	0.6
281.15576	0.7
299.16394	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	299.164
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52457	0.6
53.03915	0.8
55.05520	0.7
65.03922	1.3
67.05484	0.9
69.12502	0.8
71.44296	1.2
71.76557	0.5
79.05489	4.6
81.07028	0.7
88.87311	0.6
91.05486	9.8
93.07045	21.7
105.07032	0.9
107.08593	45.4
119.04944	22.3
135.11690	51.7
136.12065	0.7
147.04404	100.0
148.04698	1.5
165.04195	0.6
165.05443	4.1
171.88812	0.7
187.51257	0.6
292.22333	0.6
299.16339	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.164
Annotation	CHEBI:70686
Peak:m/z	Relative Intensity
53.03947	1.4
55.05495	3.0
67.05489	3.8
68.16901	0.8
69.07038	3.4
73.70643	0.9
79.05488	10.0
81.07040	4.1
83.08609	1.8
91.05478	9.2
93.06467	1.9
93.07041	33.3
95.04955	3.4
95.08601	21.3
103.05440	1.6
105.07029	9.2
107.04950	100.0
107.08586	28.2
108.05258	2.0
109.06506	0.9
109.10152	3.1
110.77319	0.7
111.26814	1.0
117.07033	9.6
119.04944	4.3
119.08578	5.7
121.02856	1.6
121.06493	9.1
121.10130	4.0
131.04938	3.5
131.08553	9.2
133.06490	7.1
133.10129	5.5
135.11688	38.0
136.11984	1.2
144.09314	1.6
145.06494	6.5
145.10088	2.2
147.04413	14.5
147.08028	4.1
147.11665	2.6
149.05983	5.1
151.27002	0.8
153.07054	1.1
157.06464	7.0
159.08066	8.4
159.11674	30.2
160.11993	1.4
161.05984	1.4
161.09613	1.9
161.13284	1.6
163.07567	1.7
165.05496	1.6
165.06908	1.9
165.09090	2.3
171.08058	6.2
173.09608	3.1
175.11227	1.5
177.05461	4.0
177.12677	1.1
179.10675	1.4
183.08064	7.3
185.05957	2.5
185.09563	3.5
187.11235	2.0
193.12152	2.1
195.07964	1.3
196.08855	1.0
197.05949	1.1
197.09605	12.1
199.11102	1.4
203.07040	10.5
205.12242	25.9
211.11147	4.9
217.08662	1.6
225.09024	1.8
225.12659	1.7
229.08562	1.8
233.78076	1.0
243.10127	2.6
253.15872	38.4
254.16272	2.2
263.14322	2.1
281.15372	11.3
283.68246	1.0
299.16406	61.4
300.16763	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	299.164
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.1
55.05503	2.1
64.26196	0.7
65.03927	1.2
69.07060	1.3
69.84312	3.6
79.05494	9.4
81.07039	1.8
91.05479	18.1
93.07040	100.0
94.07361	1.0
95.04985	4.8
103.11119	0.7
104.21092	0.8
105.04507	0.9
105.07027	4.5
107.08593	93.7
108.08925	1.5
109.06533	1.5
119.04941	15.5
119.05964	1.4
126.98178	0.7
132.02422	0.7
135.11688	80.9
136.12064	1.6
147.04404	62.1
150.67497	0.7
150.70020	0.7
165.05479	5.9
299.16403	12.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1641
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.7
55.05512	1.4
61.00519	0.2
65.03934	0.9
67.05508	1.2
69.07065	0.7
71.44867	0.5
77.03917	0.3
79.05055	0.4
79.05491	6.4
80.08584	0.3
81.07061	0.9
91.05475	12.8
92.05831	0.3
93.07039	36.1
94.07372	0.6
95.04956	1.8
105.04598	0.3
105.07037	1.4
107.08589	42.9
108.08930	0.6
109.06491	1.3
119.04939	21.2
119.08527	0.3
120.05199	0.4
127.57307	0.3
135.11685	37.4
136.12021	0.7
147.04402	100.0
148.04767	2.2
163.67435	0.2
165.05482	3.1
182.46695	0.2
246.36107	0.3
262.28937	0.2
272.56512	0.3
299.16452	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	299.164
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.0
53.68127	0.7
55.05508	1.7
56.34736	0.7
59.17608	0.7
62.57966	0.7
64.83598	0.7
66.88007	0.6
67.05514	0.9
69.07053	1.9
70.37917	3.2
75.59190	0.6
77.18604	0.7
79.05494	9.8
81.07045	2.1
91.04961	1.4
91.05484	14.7
93.07040	68.9
95.04947	2.8
100.44951	0.7
105.07012	4.2
107.08591	99.6
108.08943	1.6
109.06499	2.1
119.04932	14.4
135.11687	100.0
136.12007	3.2
147.04408	60.7
148.04744	1.7
165.05472	10.5
226.17757	0.9
249.82649	0.9
264.31503	0.8
299.16446	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	299.164
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.1
55.05481	0.9
69.07063	1.1
70.91908	2.0
70.92265	0.7
79.05494	9.0
87.21651	0.6
91.05482	17.3
93.07043	67.0
94.07374	1.2
95.04931	2.8
105.07022	1.8
107.04958	2.3
107.08593	44.3
108.08932	0.8
114.02710	0.6
119.04941	24.1
120.35915	0.6
129.47758	0.7
135.11691	35.1
147.04408	100.0
148.04749	2.7
165.05469	15.8
197.09528	0.8
253.16104	1.3
299.16467	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	299.164
Annotation	Auroglaucin
Peak:m/z	Relative Intensity
55.01859	2.7
55.05494	3.6
57.07070	1.6
57.97614	1.2
63.69379	1.2
66.36095	1.2
67.05485	4.9
68.99780	2.8
69.07065	6.9
69.52358	5.1
69.52790	5.7
79.05066	1.2
79.05476	7.3
81.07047	17.4
82.90981	1.2
83.08606	4.7
88.24657	1.3
91.05476	15.0
93.07037	69.0
95.04937	4.0
95.08611	8.0
103.05460	9.9
105.07023	8.6
107.04935	2.7
107.08588	46.6
109.06495	1.4
109.10146	16.5
115.05433	5.1
117.07014	9.7
119.04990	2.4
119.08594	2.2
121.06479	6.6
121.10123	10.5
123.11687	14.9
128.06238	2.3
129.06989	1.4
131.04909	11.8
131.08513	1.3
133.06485	3.5
133.10141	1.4
135.10672	2.9
135.11679	43.6
136.12444	1.7
141.06960	6.6
145.06470	19.4
147.04410	18.4
147.08055	2.0
149.05998	7.8
153.07024	2.1
155.06041	2.7
155.08530	3.5
157.06438	3.0
158.07074	1.3
159.04401	11.7
159.08006	2.4
161.05995	1.7
161.09659	1.5
165.05469	4.4
165.06972	4.6
169.06555	5.8
169.10078	1.7
171.08041	3.9
173.05975	32.1
177.05457	100.0
178.05757	2.1
179.08562	5.8
181.06483	4.4
181.10008	1.3
181.36134	1.3
182.07254	3.8
183.08095	8.0
185.05937	7.4
187.07570	5.9
191.07024	48.5
192.07300	1.7
195.08076	3.0
197.05952	15.8
197.09586	8.6
199.07573	6.2
201.05460	14.9
201.09081	3.5
203.07062	4.2
205.08545	7.1
207.08060	6.4
210.06795	3.9
211.07544	20.9
211.11003	2.8
213.09105	2.4
215.07013	76.5
216.07397	1.6
217.08603	3.7
219.10054	1.5
221.09554	2.4
224.08192	1.5
225.09094	35.0
229.08545	13.9
233.09715	1.6
239.10632	4.2
239.14307	1.8
243.10165	48.7
244.10474	3.0
248.12013	1.7
253.15840	5.4
257.11734	3.7
263.14255	6.6
281.15347	61.3
282.15717	2.5
299.16394	60.6
300.16788	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	299.1641
Annotation	Acerogenin B
Peak:m/z	Relative Intensity
55.01850	1.6
55.05497	2.9
56.17509	1.4
57.07071	2.4
60.08183	1.1
65.03928	1.8
67.05505	11.5
69.07059	4.8
69.49931	11.3
79.05486	7.6
81.07065	6.9
83.08625	2.3
88.86189	1.4
91.05477	10.3
93.07044	53.5
95.04948	3.4
95.08026	1.2
95.08605	5.4
103.05476	3.6
105.07043	5.6
107.08595	43.1
109.06549	1.9
109.10155	100.0
110.10496	2.2
115.05441	1.8
117.06995	4.1
119.04948	7.9
119.08590	2.7
121.06465	3.0
121.10146	5.6
123.11701	5.4
129.07018	1.6
131.04916	5.3
133.06546	1.7
135.11694	47.9
136.12506	3.2
145.06534	7.1
147.04411	32.0
147.08034	2.4
149.05949	2.1
159.04419	3.7
165.05545	3.0
165.06992	2.3
171.08067	2.0
173.06017	13.5
177.03989	1.1
177.05466	30.3
179.08611	2.1
182.07271	1.6
183.08011	2.7
185.05966	2.7
191.07040	15.7
195.08035	2.0
197.05991	6.4
197.09647	3.8
201.05402	1.8
207.08038	2.6
210.06664	1.7
211.07555	5.8
213.08957	1.4
215.07043	12.6
221.09529	1.3
225.09090	15.2
229.08589	4.2
243.10231	12.4
253.15936	2.2
257.26645	1.6
263.14374	2.3
281.15369	64.6
282.15619	3.3
299.16440	57.0
299.19760	1.9
299.31390	24.9
300.16760	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1641
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99673	0.5
52.14442	0.4
57.07043	0.5
65.03937	1.2
67.05494	1.9
69.07066	1.2
69.58413	4.0
70.53348	0.5
79.05491	10.4
81.07040	1.1
83.39320	0.5
84.24287	0.4
91.05482	11.1
93.07044	26.2
95.04960	1.1
98.21539	0.9
101.81287	0.5
105.07024	2.3
107.08594	63.3
108.08882	0.5
109.06504	1.7
119.04946	15.7
135.11691	100.0
136.12015	1.0
147.04411	61.5
165.05489	4.1
243.64850	0.6
260.36264	0.5
299.16449	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	299.1639
Annotation	Auroglaucin
Peak:m/z	Relative Intensity
53.03926	1.2
55.01848	3.0
55.05498	4.4
57.07063	1.6
59.37609	0.7
65.03923	0.9
67.05501	7.0
68.99776	3.2
69.07065	5.3
69.96333	4.7
70.59034	0.7
75.59682	0.7
79.05485	8.8
81.07049	18.9
83.08616	4.0
91.05473	9.9
93.07040	28.7
95.04937	1.8
95.08597	9.6
97.10163	0.8
98.08840	0.8
100.10571	0.7
103.05457	6.8
105.06360	1.1
105.07008	7.7
107.04966	4.4
107.08586	25.8
108.08894	1.1
109.06476	1.3
109.10155	27.8
109.10921	1.4
115.05436	4.0
117.07011	6.4
119.04929	5.2
119.08556	2.7
121.06493	7.7
121.10146	6.5
123.11704	18.3
128.06242	1.7
129.06969	2.2
131.04933	10.5
131.08566	1.8
133.06473	2.6
135.04440	0.8
135.11682	32.2
136.12129	1.0
141.06956	3.5
143.08478	1.6
144.05644	1.7
145.06490	15.2
147.04404	27.8
147.08031	1.7
149.05948	8.5
152.06198	1.6
152.79689	0.8
153.06927	2.0
154.07762	1.4
155.04868	1.2
155.06026	1.6
155.08545	4.3
157.06503	4.0
159.04434	9.1
159.08054	2.1
159.11751	1.0
161.05949	1.3
165.05563	1.6
165.06989	3.3
167.08516	1.4
169.06487	5.1
169.10164	2.1
170.07249	0.9
171.04399	1.3
171.08034	3.2
173.05988	16.4
173.09543	0.9
177.05460	100.0
178.05830	1.4
178.07690	0.7
179.08543	6.1
181.06471	4.0
182.07195	3.7
183.04466	1.4
183.08032	6.8
185.05939	5.1
185.09554	1.8
187.07524	3.7
191.07030	33.3
193.10074	1.3
195.08043	2.2
197.05936	8.8
197.09618	10.3
199.07555	4.2
199.11134	1.3
201.05431	8.7
201.09143	2.9
203.06990	2.5
205.08615	2.6
207.08063	5.7
209.06010	0.8
210.06746	4.4
211.07524	11.0
211.11180	1.5
213.09077	2.8
215.07011	33.3
217.08649	2.4
221.09653	1.8
225.09099	23.6
229.08572	11.2
234.10344	0.7
239.10638	2.5
239.14267	2.6
243.10165	40.1
244.10559	1.4
248.12004	1.7
250.94598	0.8
253.15842	3.2
257.11768	1.5
263.14368	3.7
278.58029	0.7
281.15350	32.7
288.47943	0.8
299.16409	44.2
300.16690	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.2164
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05526	15.1
57.07075	3.8
67.05487	9.1
69.07054	12.6
69.48048	2.5
69.78373	19.3
70.90051	3.1
71.08624	3.0
74.22538	2.5
79.05500	18.5
81.07066	16.5
83.08597	4.5
91.05477	23.6
93.06466	5.6
93.07040	97.4
94.06580	4.6
95.04971	7.7
95.08560	8.6
103.05472	4.0
105.06996	14.7
107.04955	10.9
107.08592	81.4
109.06548	4.4
109.10150	10.4
115.05421	4.5
117.06999	13.0
119.04919	11.2
119.08571	5.8
121.06505	5.8
121.08888	3.1
121.10150	10.4
123.11678	9.4
129.07069	3.7
131.04919	9.2
132.08090	5.7
133.08894	5.1
133.10052	3.4
134.09608	4.5
135.11684	64.7
136.12450	4.5
141.06953	4.0
143.08537	3.8
144.08043	5.8
145.06470	19.6
145.08908	3.6
146.09653	5.5
147.04407	46.5
148.07535	3.1
149.05956	7.3
149.94328	3.2
158.09686	8.2
159.04376	5.4
159.08101	4.7
165.05406	4.7
165.06857	3.4
167.08614	4.0
169.06534	3.1
172.11278	4.0
173.06013	20.9
177.05463	49.3
179.08524	8.1
182.07201	3.1
183.08043	6.0
184.11281	6.2
185.06007	3.4
185.11998	3.3
187.07448	4.5
191.06989	25.2
195.08052	3.2
196.11226	4.5
197.05945	8.2
197.09612	11.2
199.07544	3.5
201.05505	4.7
201.09138	6.6
205.08595	5.6
210.06917	4.6
210.12762	6.5
211.07553	8.1
211.13452	6.5
212.14262	5.5
215.06979	30.8
220.13994	4.0
222.12801	3.9
225.09167	25.0
228.23270	10.4
229.08597	5.6
239.10602	4.8
240.67592	3.6
243.10103	24.9
246.17549	5.8
253.15933	5.3
253.18381	3.7
255.18069	6.3
263.17874	4.7
281.15369	58.9
281.21606	4.7
282.20435	3.4
298.14981	3.2
298.21652	100.0
298.31039	47.2
298.71835	41.9
299.16373	45.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.1646
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.7
55.01868	4.9
55.05509	16.1
56.05031	1.9
56.96568	0.7
57.03435	11.6
65.03922	1.1
67.04245	1.4
67.05166	1.0
67.05503	13.3
68.05026	2.2
69.03436	1.6
69.07060	2.4
70.02955	5.3
70.06581	1.3
71.04985	0.9
71.59201	1.0
72.04513	100.0
73.02911	1.8
73.04862	0.6
79.05489	20.0
80.05016	12.8
81.03436	1.0
81.05780	0.9
81.07052	13.4
82.02953	4.5
82.06577	12.5
83.04979	1.9
83.08611	4.3
84.04497	2.4
85.02916	1.2
85.06549	1.7
85.79503	0.5
91.05475	8.0
92.04986	1.0
93.05801	0.6
93.07035	6.2
94.06567	2.2
95.04955	1.8
95.08615	4.7
96.04482	12.7
96.08129	1.4
97.02921	0.9
97.10180	3.2
98.06054	1.8
103.03950	0.5
105.07032	3.9
106.05923	0.5
106.06582	1.6
107.04948	1.0
107.08587	7.8
107.35413	0.5
108.04470	15.9
108.08123	1.6
109.05278	2.3
109.06498	1.4
109.10157	2.1
110.06038	8.0
117.07017	3.1
118.06511	1.3
119.08585	1.8
120.08105	1.3
121.02846	1.3
121.06531	0.7
122.06017	3.6
122.09727	1.3
124.11227	5.3
125.09634	0.9
126.05528	1.7
128.06175	0.5
132.08110	1.1
133.10110	1.2
134.09637	1.6
135.08051	3.6
135.68921	0.5
136.06136	0.7
136.07620	0.9
136.11223	1.0
144.08054	0.6
150.09163	1.0
150.12770	1.2
160.11244	2.3
170.11783	1.4
175.07506	0.6
178.07758	1.3
178.12254	14.5
178.13704	1.1
179.08479	1.0
182.75732	0.6
188.10742	2.4
189.06932	0.7
190.07861	0.6
194.09593	1.4
195.07973	1.0
197.95750	0.6
205.06516	1.5
206.07245	2.4
206.09669	1.5
206.11656	4.9
211.07339	1.0
214.04486	0.7
218.07472	0.7
219.08107	0.8
221.09630	5.6
222.09262	1.9
223.07530	1.7
224.08307	1.2
224.12775	6.1
233.06079	0.8
234.06737	2.6
234.08943	0.7
235.07625	0.9
238.09914	1.6
242.13808	0.9
249.09097	11.6
250.08722	1.2
251.07005	0.9
252.10178	8.4
263.10632	1.2
266.09357	2.8
279.08908	3.1
280.09659	9.6
280.12549	0.6
280.15622	1.0
281.08420	1.9
281.11694	27.2
282.12012	1.2
287.05627	0.7
298.07932	1.1
298.11127	1.4
298.16522	37.7
299.05524	5.5
299.08716	1.1
299.16840	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.1437
Annotation	Unknow
Peak:m/z	Relative Intensity
56.17925	0.4
60.77806	0.5
68.05818	0.4
68.99114	0.4
71.59216	0.7
72.04503	0.6
75.04484	0.6
81.07016	0.7
91.05481	0.5
98.97545	0.5
105.07032	0.4
107.04951	0.6
108.28337	0.4
121.06505	1.6
122.06829	0.7
134.99669	0.5
136.06177	1.0
137.05905	0.5
141.15976	0.5
151.07420	0.4
152.06329	0.5
165.07010	1.1
167.08549	0.6
178.07776	5.9
178.12335	0.5
179.08527	3.3
189.06966	2.5
190.07773	1.5
190.09369	0.5
191.08553	3.5
193.10120	1.7
194.09663	0.5
195.08023	1.4
203.08620	2.6
205.06471	3.5
206.07259	7.6
207.08066	2.4
217.06487	3.5
218.07269	8.7
219.07880	2.4
220.08765	0.8
221.06058	0.8
221.09595	11.8
222.10411	0.9
223.07542	2.5
231.08015	0.8
233.05956	7.4
234.06758	12.6
234.09081	0.5
235.07523	7.1
237.09160	0.8
238.09644	2.0
248.08368	0.6
249.06451	0.7
249.09090	15.1
250.09886	31.2
251.07028	15.8
251.10219	1.3
252.10046	2.4
253.08546	0.4
253.12262	0.8
265.08542	1.3
266.09348	16.2
279.08893	1.2
280.09732	3.2
281.11710	100.0
282.12064	1.7
283.09241	0.6
298.08188	0.8
298.11334	2.1
298.14517	8.4
299.09091	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.1436
Annotation	Tuduranine
Peak:m/z	Relative Intensity
57.05201	0.4
62.72490	0.4
70.65594	0.8
70.65990	1.3
103.05344	0.4
107.04955	0.6
118.06537	0.4
130.06529	0.6
133.06512	0.5
142.20705	0.4
144.44341	0.4
146.05998	10.1
148.07550	0.6
150.06754	1.4
153.06909	0.4
158.77525	0.4
160.07574	16.5
161.08350	41.9
162.05490	0.8
162.08759	0.4
165.07005	1.0
165.09096	1.6
166.07785	1.3
167.08565	0.8
171.55763	0.4
174.05489	1.1
175.06247	1.2
176.07086	3.8
177.07848	2.5
178.07770	1.1
179.08575	0.8
181.06473	0.7
181.10060	0.4
183.07974	0.6
190.08609	9.6
191.09445	1.3
192.10187	36.4
193.10423	0.5
194.07245	3.8
195.08060	4.0
205.06400	0.4
206.07166	1.1
207.08011	2.7
208.08794	0.7
209.09608	1.7
210.10374	2.6
211.07553	2.9
219.07805	0.5
220.08575	0.4
221.09653	0.4
222.06770	3.7
222.10333	2.7
223.07523	5.8
224.08289	0.6
225.09122	0.8
226.09804	1.7
229.92677	0.4
235.07527	0.9
235.09776	0.6
237.09166	1.5
238.09862	12.6
239.06995	3.8
241.08586	0.8
241.12306	0.9
250.09970	2.5
253.12225	4.2
254.09369	9.7
255.09973	0.5
266.09076	1.6
266.11835	0.6
269.11707	10.7
277.60815	0.4
281.11725	4.8
298.14365	100.0
299.14670	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.1437
Annotation	Oripavine
Peak:m/z	Relative Intensity
54.18034	0.5
60.40871	0.5
64.33978	0.4
69.53191	0.6
69.53584	4.0
85.02917	0.5
87.89378	0.4
91.05475	1.1
107.04876	0.5
119.04938	0.9
132.08087	1.8
136.06166	1.1
136.07561	2.4
138.17802	0.6
151.07584	0.6
152.06207	1.9
153.06952	0.9
158.79404	0.5
160.07584	3.9
161.08400	0.6
163.07524	1.6
165.06966	2.5
166.07794	1.3
167.08569	8.7
175.06430	0.6
177.06914	4.6
179.08615	0.5
181.06508	2.3
181.10121	1.5
190.08620	1.5
191.08514	2.3
192.10194	5.0
194.07254	3.4
195.08054	25.3
196.08739	0.5
197.05893	0.7
201.06885	0.6
202.07733	0.6
205.06512	0.5
206.07336	0.6
207.08052	1.9
208.05373	1.1
209.06168	1.0
209.09584	4.3
210.06691	0.5
211.07510	0.9
212.08316	0.8
213.09096	0.9
219.08110	2.2
222.06743	1.4
223.07530	36.8
224.08192	1.5
225.05521	1.1
227.07039	1.7
231.08087	0.6
235.07539	2.3
237.09082	6.6
239.10735	1.7
240.07808	3.1
241.08669	0.7
249.09131	0.9
250.98344	0.5
254.09369	1.8
255.10168	31.0
256.10538	0.8
267.10303	1.1
269.11752	6.7
298.14380	100.0
299.06317	0.5
299.14703	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.0967
Annotation	5'-Methylthioadenosine
Peak:m/z	Relative Intensity
61.01148	3.8
69.03448	0.4
69.87596	0.8
69.87994	0.5
75.02695	2.0
80.06369	0.2
97.02898	1.6
103.02167	0.4
119.03533	0.6
136.06178	100.0
137.04568	0.4
137.06532	0.8
145.03168	1.0
153.15598	0.3
163.04254	1.2
167.08461	0.4
177.06952	0.4
179.03799	0.3
194.09673	1.1
195.08087	0.8
204.08076	1.1
205.08929	0.8
207.06764	0.5
220.07745	0.4
221.08414	1.1
222.09128	20.2
223.07515	0.3
223.09428	0.5
249.20763	0.3
250.08755	0.9
252.10577	0.3
260.13922	0.3
280.09671	28.3
281.10175	0.4
290.19550	0.3
298.09692	4.7
298.13354	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.1074
Annotation	Unknow
Peak:m/z	Relative Intensity
56.69508	0.3
61.01155	4.6
70.85808	0.9
71.01375	0.4
75.02710	2.5
97.02885	1.2
119.03532	0.5
120.04437	0.4
136.06186	100.0
137.04590	0.5
137.06494	1.2
140.76903	0.3
145.03180	1.3
160.07614	0.5
163.04260	1.4
167.08542	1.0
177.07042	1.1
192.07979	0.4
194.09660	1.9
195.08072	1.7
200.85048	0.3
204.08057	2.0
205.08878	0.8
206.09622	0.4
207.06801	0.9
220.07634	0.5
221.08279	2.1
222.09137	43.2
223.07512	1.1
223.09514	1.2
226.02998	0.4
235.09857	0.6
250.08656	2.6
251.07147	0.8
252.10327	0.4
255.10210	0.5
280.09683	57.4
281.10184	1.8
289.03207	0.4
298.09738	4.7
298.14328	1.3
319.66602	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.0779
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52629	2.3
55.05497	4.6
56.96573	12.6
57.03421	13.1
61.02921	33.5
65.03933	5.4
67.05491	8.9
69.03419	10.6
71.04996	5.8
71.31464	2.6
71.60396	3.6
72.45000	2.5
73.02911	8.7
73.06551	4.0
81.03419	3.3
83.04969	11.6
85.02897	21.9
87.04457	4.1
91.05475	5.8
93.03400	9.6
93.98506	2.6
95.04947	16.7
97.02345	3.9
97.02903	7.9
98.97581	5.5
99.04460	3.4
101.00903	6.0
101.05996	11.5
106.02843	9.6
106.53017	3.4
109.02806	2.9
111.04449	6.2
112.99129	3.1
113.02366	6.3
115.03331	11.9
115.53536	5.0
116.98627	5.9
117.02971	4.1
119.01909	81.1
119.04930	3.9
121.02842	39.3
121.03573	3.1
127.03934	6.3
128.02368	2.5
129.07739	2.8
131.00159	6.0
133.03453	6.0
134.02312	2.4
134.99605	8.2
135.03059	9.0
136.06192	10.5
136.07571	19.4
137.02954	54.4
139.03952	5.8
143.01003	2.6
144.03673	4.0
148.03908	3.5
149.01218	10.9
149.02864	2.6
150.01762	4.5
153.00481	3.0
161.02968	3.8
169.52745	2.8
170.03412	4.9
170.08549	2.7
171.01381	5.4
171.05037	5.7
175.04631	2.6
177.00880	3.7
185.55966	3.6
186.06427	3.6
189.02411	5.7
191.03874	11.3
191.54141	7.6
192.54170	4.4
193.03734	8.9
195.05077	5.8
197.02885	14.9
200.04350	4.3
200.54593	7.7
201.04684	4.6
202.04048	7.9
203.01987	3.9
207.55353	2.9
211.04489	11.7
212.05519	3.0
213.02492	5.9
213.05960	5.5
215.03998	17.4
219.01591	2.8
220.04060	3.7
220.54434	12.4
221.02858	27.7
229.05605	4.9
229.54895	3.8
233.01514	5.2
239.03995	11.2
251.02478	10.7
257.05035	45.4
262.31311	2.9
275.03058	3.7
275.06097	100.0
280.06436	7.2
293.03522	17.6
298.07724	5.5
299.06094	7.2
300.06161	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	297.2787
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03912	3.6
55.05512	59.6
57.07074	47.0
59.06135	5.2
67.02906	4.0
67.05503	35.4
69.07072	100.0
70.52547	7.9
70.52912	8.4
70.81914	3.9
71.08630	30.4
73.06544	4.9
79.05490	22.8
80.99277	4.1
81.07056	57.0
83.04976	8.2
83.08622	57.3
85.06522	5.7
85.07648	5.1
85.10163	13.3
91.05460	4.3
93.07057	36.8
95.08607	53.6
97.06527	21.8
97.07603	3.6
97.10162	41.5
107.08594	30.2
109.10147	27.1
110.07165	7.8
111.08051	16.9
111.11710	19.4
120.05583	5.7
121.10130	40.3
121.77430	3.8
123.11718	10.0
125.09608	9.1
135.11673	38.2
137.13228	4.2
139.11121	7.0
147.06491	4.4
149.08177	4.2
149.13226	19.9
151.09764	3.4
151.14821	4.3
153.12738	5.2
163.14798	13.0
165.16354	5.3
167.14334	4.7
172.92679	3.9
177.16348	7.4
181.15829	5.7
191.17950	4.8
247.24245	41.9
251.10423	6.7
255.13545	5.1
265.25281	28.4
283.03647	4.2
294.77191	4.9
297.15546	28.5
298.14276	5.8
298.17941	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	297.991
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01458	0.8
56.96563	16.7
57.97332	1.0
64.95886	0.8
71.60550	1.6
71.95263	1.7
88.21275	0.9
98.97575	100.0
116.98613	96.1
119.01947	2.7
130.93324	1.4
134.99649	52.6
137.02925	1.4
140.00186	2.6
153.00685	7.7
158.01273	2.6
172.94336	3.1
174.00685	1.0
174.97543	1.1
177.00932	2.4
181.03027	1.1
190.95407	7.7
208.96349	4.3
214.95334	1.5
219.01961	5.0
232.96408	8.3
234.99681	1.4
235.99741	1.7
250.97414	8.3
254.39296	0.9
256.96399	12.0
261.03018	3.4
263.00070	2.1
263.49973	1.3
273.94690	0.8
274.97482	88.4
275.44598	1.0
275.97678	1.0
292.98523	94.0
297.96060	1.1
297.98859	4.5
298.97537	1.4
310.99667	1.9
315.26904	1.0
316.00101	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	297.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	5.3
53.11410	2.4
55.01869	16.0
55.05504	7.3
56.77106	2.0
57.03438	21.4
59.04990	5.8
61.02933	13.1
65.03954	2.5
67.05505	8.9
69.03429	29.9
69.07072	5.3
70.74850	6.3
71.01354	9.4
71.04993	6.8
73.02911	14.1
73.84431	2.1
76.49036	2.1
79.05487	11.0
79.45126	1.9
81.03405	13.3
81.07058	32.0
83.04984	8.4
83.38287	1.9
85.02424	4.1
85.02905	55.1
87.04451	7.0
91.05479	24.9
93.07038	100.0
93.07628	4.8
94.07391	2.1
95.04980	7.8
95.08602	13.2
97.02884	29.9
97.06510	2.4
99.04461	9.3
101.02377	3.0
103.03943	15.2
105.07027	46.5
107.04951	31.1
107.08599	31.3
109.02910	10.4
109.06505	12.3
109.10175	5.9
111.04440	10.3
115.03922	17.8
115.05524	2.7
117.07006	12.9
119.04939	5.9
119.08575	43.3
121.06516	7.1
121.10121	18.1
123.04390	4.4
123.08051	2.7
123.11698	2.7
125.02341	3.2
127.03923	22.5
128.06194	5.2
129.05490	5.8
129.06993	10.9
130.07770	2.3
131.08569	38.4
132.09378	2.4
133.04953	9.7
133.06458	5.6
133.10123	17.7
133.42236	2.2
135.04440	4.1
135.08073	6.8
135.11707	32.5
137.05916	2.8
137.09584	2.6
137.13239	14.0
141.06999	4.4
142.07796	8.5
143.03439	3.8
143.08568	24.1
145.04965	9.4
145.06502	5.3
145.10123	28.1
147.04417	2.7
147.06465	4.8
147.08052	21.7
147.11673	40.4
149.09633	4.8
149.13202	2.5
151.11208	4.1
155.08539	6.2
156.09415	3.5
157.10081	16.4
159.08046	22.7
159.11693	24.1
160.12115	2.3
161.05966	2.5
161.09660	18.6
161.13249	6.5
163.11183	22.0
165.07053	4.6
165.12785	8.9
167.08595	6.6
169.10097	2.9
171.07935	3.0
171.11646	5.4
173.09665	6.8
173.13263	8.1
175.07443	2.3
175.11137	10.4
177.06970	2.6
177.12737	15.5
183.08017	4.6
183.11726	6.7
185.09639	4.9
187.11177	4.5
189.12704	9.7
191.08618	6.0
191.10574	3.0
191.14319	3.9
194.07272	4.8
195.07967	2.6
197.13284	4.0
201.09044	10.2
201.12724	8.3
203.10707	7.8
205.06523	9.3
205.12270	3.1
207.13806	13.4
209.09598	3.4
213.12872	2.9
215.14331	4.2
219.08170	3.2
219.10284	3.2
219.13818	7.6
221.11739	17.5
222.06795	6.8
223.07491	6.9
231.13818	4.3
233.05992	7.9
237.09004	11.9
239.06970	3.3
239.12769	5.2
243.13812	9.4
251.07065	9.0
254.09337	2.6
261.14780	20.3
265.08575	25.0
266.09195	4.8
266.12317	3.4
269.07938	2.8
279.06628	12.5
279.09137	2.2
279.15936	27.8
281.07980	2.5
281.11914	2.1
282.08890	6.3
296.28094	2.1
297.04459	3.3
297.07559	14.1
297.11166	35.6
297.16925	26.5
298.11191	4.3
298.14438	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	297.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	5.8
53.11546	1.6
55.01871	14.3
55.05491	5.5
57.03434	18.9
58.15960	1.5
59.04993	4.8
61.02930	10.5
63.25948	1.9
65.03947	1.9
67.05492	6.6
69.03429	30.0
69.07059	6.1
70.35802	1.8
71.01354	6.1
71.04969	5.5
71.58613	1.7
73.02921	20.0
79.05501	10.5
81.03419	10.9
81.07061	30.0
83.04968	8.0
85.02904	42.1
85.03403	1.4
85.06540	2.4
87.04460	5.4
91.05477	22.4
93.07043	100.0
95.04966	6.6
95.08614	10.6
97.02892	27.8
97.06530	3.4
99.04443	7.5
101.02346	2.4
103.03946	14.1
105.07027	39.6
107.04959	23.9
107.08589	26.8
109.02888	10.2
109.06499	4.9
109.10120	5.8
111.04426	8.0
115.03928	12.1
115.05431	2.7
117.05534	2.3
117.07044	13.4
119.04927	5.9
119.07790	2.7
119.08577	30.4
121.06503	9.1
121.10132	11.8
123.04444	3.5
123.08081	5.5
123.11694	4.2
125.05936	2.2
125.09602	2.9
127.03902	16.1
128.06229	5.8
129.05449	3.8
129.07018	10.4
131.08566	31.6
133.04950	7.8
133.06471	5.0
133.10156	12.7
135.04401	4.0
135.08032	12.1
135.11690	30.1
137.13239	13.2
141.07013	2.9
142.07744	6.2
143.03409	4.7
143.08582	19.8
143.87350	2.0
145.04962	6.4
145.06502	6.0
145.10146	24.5
147.08052	19.5
147.11690	34.6
149.09604	6.0
149.13303	3.3
151.11137	4.0
155.08517	7.5
156.09312	2.9
157.10123	13.5
159.08063	20.3
159.11714	19.1
161.09634	15.1
161.13246	3.6
163.03922	3.0
163.11186	16.1
165.06932	2.4
165.12740	7.4
167.08525	6.4
169.10121	3.4
171.08034	2.4
171.11716	6.5
173.09595	7.8
173.13246	5.8
175.07384	2.7
175.11177	8.8
177.06964	2.9
177.09198	2.4
177.12755	14.8
183.08061	4.2
183.11765	2.6
185.09569	4.6
187.11163	5.5
189.12694	8.4
190.07748	2.4
191.14307	4.5
194.07259	5.7
197.13237	4.6
201.09103	8.4
201.12692	8.1
203.10730	6.2
205.06425	9.9
207.13852	9.1
215.14299	5.0
217.12160	3.0
219.13795	5.7
221.11664	10.7
222.06714	5.6
223.07492	3.9
225.12709	2.1
231.13840	3.9
233.05905	5.3
236.07935	2.1
237.09094	9.0
239.06834	1.9
239.12737	3.9
243.13785	10.5
250.06332	2.9
251.06944	6.5
261.14874	18.3
265.08569	19.5
266.08878	2.8
279.06467	10.7
279.09277	2.3
279.15900	27.4
280.09482	3.8
282.08725	6.9
297.07608	12.1
297.11118	25.0
297.16876	20.9
298.14404	5.1
299.06241	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	297.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	9.2
55.01857	12.8
55.05509	14.9
57.03436	22.4
57.07064	5.4
57.68307	3.2
61.02940	16.0
67.05511	28.8
69.03432	62.7
69.07066	15.3
71.01351	6.3
71.04955	15.6
71.61622	5.2
73.02905	14.0
79.05481	31.0
81.03423	32.8
81.07053	50.2
83.04974	16.5
83.05391	2.8
83.08636	4.2
85.02901	79.8
85.06530	4.9
87.04471	7.7
89.05307	2.9
90.90897	2.9
91.03955	3.7
91.05475	38.1
91.17384	2.8
93.06471	6.0
93.07044	100.0
94.29859	3.0
95.04970	22.4
95.08608	44.7
97.02880	42.1
97.06520	8.6
99.04475	16.5
103.03929	9.3
105.04532	3.1
105.07030	75.1
107.04967	25.1
107.05576	4.6
107.08593	99.4
109.02872	14.7
109.06496	14.4
109.10143	30.0
111.04420	12.3
115.03933	11.4
115.05477	4.7
117.07019	16.4
119.08574	43.1
121.06498	8.8
121.10134	73.4
123.04408	8.6
123.08078	8.1
123.11724	16.0
125.06008	3.4
127.03934	27.0
129.05498	5.1
129.07013	10.7
131.08553	24.7
133.06561	4.9
133.10118	38.7
135.08055	10.7
135.11687	100.0
137.09628	9.0
137.13249	3.6
141.05550	4.2
142.07793	4.2
143.08556	12.6
145.04950	11.2
145.06480	4.7
145.10126	35.8
147.06450	3.7
147.08026	9.9
147.11667	41.7
149.05971	4.2
149.09624	7.9
149.13249	13.2
151.03874	7.2
151.07643	3.7
151.11169	13.4
153.07115	3.1
153.12744	37.8
155.08563	9.2
156.09286	3.3
157.10139	14.7
159.08101	7.6
159.11708	27.4
161.09563	5.9
161.13281	11.0
163.11160	14.5
165.07071	5.3
165.12758	7.9
167.08580	4.0
169.10114	4.1
171.11670	10.0
172.97693	3.1
173.09563	5.9
173.13257	10.2
175.11183	13.7
177.06952	5.9
177.12732	21.8
183.11632	4.6
187.11151	7.5
189.12720	15.2
191.08600	5.1
191.14214	4.3
192.10167	3.9
194.07281	8.2
197.13298	4.6
201.12733	14.4
203.81741	3.0
205.06517	17.5
205.12227	3.5
207.08022	6.0
207.13823	3.2
209.09587	4.2
215.14243	8.9
217.83177	3.6
219.13792	15.1
222.06683	9.7
222.09158	4.9
223.07578	4.3
231.13760	12.6
233.05966	13.7
233.15233	5.5
236.08038	3.7
237.09137	18.2
239.06784	4.6
243.13817	18.0
249.08940	3.3
249.14870	6.8
251.06740	5.4
261.14844	34.8
265.08575	51.8
266.08972	5.7
275.07349	3.3
279.06332	7.0
279.15900	37.4
280.09695	12.7
280.16220	4.2
281.11694	3.9
282.08621	11.6
297.07709	6.7
297.11185	48.9
297.16959	82.8
298.11273	5.1
298.14371	10.3
299.06299	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	297.1483
Annotation	Karnatakafuran B
Peak:m/z	Relative Intensity
55.01839	2.3
55.05497	1.4
57.07051	0.8
67.05234	0.4
67.05497	5.2
68.99767	0.7
69.07055	3.3
70.03021	2.6
74.21190	0.5
79.05487	3.2
81.06593	1.0
81.07052	18.8
81.07779	0.8
83.08583	2.5
85.06521	1.0
86.33349	0.6
91.05452	2.7
93.07043	4.4
95.04971	1.1
95.08601	24.4
98.20839	1.1
103.05459	3.5
105.07012	7.2
107.08564	2.6
109.10135	6.7
115.05425	1.7
117.06973	1.5
119.04900	0.8
119.08609	3.1
121.06470	1.7
121.10121	6.4
122.00897	0.5
123.07927	0.5
128.06203	4.3
129.06967	1.7
131.04929	6.0
133.10130	4.9
134.10867	1.7
137.09619	0.7
141.07005	3.4
143.04898	1.9
143.08557	8.8
145.06462	4.2
147.04378	0.9
147.08031	0.7
149.05927	2.4
152.06181	16.5
153.06993	4.9
154.07730	3.2
155.04916	1.6
157.06450	2.6
159.04420	5.6
159.08061	1.0
161.05977	1.0
165.06995	10.9
166.07794	6.2
167.08553	35.5
168.09250	0.8
169.06506	3.0
171.04420	0.7
171.08026	4.2
173.05956	6.6
175.03902	0.8
176.06210	0.7
177.05492	23.3
177.06975	3.1
178.07764	2.8
179.08530	6.6
180.05717	0.9
181.06464	8.7
181.10059	3.1
182.07225	1.1
183.04379	2.3
183.08020	1.2
184.05159	0.8
185.05981	3.4
187.07402	0.8
190.07732	1.1
191.06987	2.7
191.08543	3.6
193.06544	0.7
193.10043	0.6
194.07234	4.5
195.08047	42.7
196.08705	1.2
197.05995	3.7
197.09685	1.0
199.07515	3.1
201.05455	32.9
203.06953	1.0
205.06506	6.1
207.07977	0.8
208.05133	1.4
208.08817	0.6
209.06169	0.7
209.09598	9.9
211.07489	4.4
213.09062	4.3
215.07011	7.4
218.07185	0.8
219.08031	4.6
221.05882	0.8
221.09656	1.8
222.06755	1.4
222.10258	0.9
223.07527	29.3
224.08107	0.6
227.07008	1.5
227.10626	1.6
229.08553	2.2
233.09460	1.2
233.13278	1.3
235.07483	1.3
235.11139	0.7
236.11891	1.2
237.09096	29.9
237.12631	3.3
241.08569	100.0
242.08949	2.3
246.10410	2.3
249.09175	1.3
250.09938	0.7
251.10669	1.8
251.14293	2.8
253.08676	0.9
254.09332	1.0
255.10187	8.7
255.13402	1.3
261.12753	4.4
264.11407	1.8
271.25568	0.7
279.13794	26.8
297.14832	94.4
298.15176	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	297.1484
Annotation	Karnatakafuran B
Peak:m/z	Relative Intensity
55.01854	4.7
55.05487	3.5
57.07059	2.5
67.05506	8.8
68.99776	3.0
69.07053	4.7
70.89323	1.0
71.60458	1.6
71.89077	1.0
79.05486	6.8
81.07058	33.9
83.08602	2.5
85.06535	5.6
90.63982	0.9
91.05480	7.6
93.07034	7.2
95.04935	2.7
95.08607	34.0
95.09229	1.6
103.05456	9.7
105.07026	19.6
107.04918	1.6
107.08598	5.6
109.10155	8.8
115.05457	3.6
117.03335	1.8
117.06992	4.1
119.04934	1.6
119.08585	12.0
121.06508	2.5
121.10166	10.8
128.06224	3.2
129.06996	2.5
131.04929	19.1
131.08521	1.7
133.06464	1.7
133.10132	14.7
134.10924	5.2
141.06967	5.1
143.04962	1.9
143.08580	3.1
144.05710	1.8
145.06500	8.5
147.04352	3.6
149.05952	5.0
152.06212	20.4
153.06995	5.6
154.07774	1.6
155.08562	1.3
157.06432	5.2
159.04424	15.6
159.08023	2.6
165.05682	2.2
165.06993	13.9
166.07776	11.6
167.08568	41.0
168.05699	1.2
169.06494	7.4
169.10146	1.1
171.04364	2.1
171.08006	7.2
173.05963	11.0
176.06180	1.6
177.05495	39.3
177.06984	5.8
178.07777	4.0
179.08531	10.7
180.05762	1.7
181.06459	12.0
181.10103	5.4
182.07269	2.6
183.02950	1.1
183.04419	4.3
183.08058	4.0
184.05226	1.8
185.06030	5.2
185.09595	1.3
187.07550	4.0
189.06996	2.0
190.07774	3.0
191.07069	2.1
191.08539	8.1
193.06502	1.4
193.10143	2.1
194.07231	10.3
195.08051	88.7
196.08669	1.9
197.06009	7.5
197.09592	3.6
198.06714	1.7
199.07539	4.4
201.05457	33.9
203.08548	2.6
205.06546	10.1
205.08408	2.1
207.08110	3.9
208.05168	2.6
208.08821	2.7
209.06151	2.2
209.09608	25.0
211.07568	12.8
211.11018	1.6
213.09166	8.2
215.07068	7.8
218.10869	3.3
219.08055	9.6
220.08809	1.4
221.05855	1.4
221.09627	4.5
222.06705	3.7
222.10405	2.3
223.07545	52.1
223.11099	2.7
224.08156	1.9
225.09129	2.9
227.10703	1.2
229.08525	3.3
229.62045	1.8
231.08043	2.8
232.08865	2.0
233.09589	2.4
233.13202	3.8
235.07545	3.7
235.11177	2.7
236.11992	4.1
237.09100	65.6
237.12627	10.8
239.10681	1.8
241.08588	83.9
242.08994	1.2
243.11641	2.3
246.10408	7.0
246.86824	1.1
249.09039	5.2
250.09740	1.5
251.10658	4.6
251.14331	7.3
255.10127	11.8
255.13907	5.7
261.12796	10.8
264.11618	2.8
279.13791	60.8
297.14844	100.0
298.15283	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1483
Annotation	Acerogenin C
Peak:m/z	Relative Intensity
53.03939	1.6
55.01858	2.8
55.05490	5.4
55.15136	1.2
57.07042	1.9
57.87132	1.4
65.67878	1.2
67.05504	11.1
68.99761	1.5
69.07069	12.0
69.52555	11.9
71.04989	1.6
79.05473	5.1
81.07053	10.3
82.70033	1.4
83.08633	6.3
91.05463	5.9
93.07029	6.0
95.08620	19.8
103.05456	6.8
103.06060	1.5
105.07033	13.0
107.04953	2.0
107.08589	9.8
109.06498	2.0
109.10153	13.2
115.05433	2.5
117.07010	4.6
119.08559	5.7
121.06499	1.3
121.10145	7.8
128.06235	3.0
129.07004	2.5
131.04915	15.4
131.08554	2.1
133.06529	2.0
133.10097	7.5
137.09630	2.0
141.07001	2.6
143.04932	2.6
144.05725	1.7
145.06480	9.5
147.04372	5.4
149.05949	4.4
152.06207	3.5
153.07014	3.1
155.04845	2.2
157.06461	6.7
159.04413	12.9
159.08035	3.0
161.05930	2.0
165.06978	5.2
166.07758	3.0
167.08617	6.5
169.06529	7.0
171.04350	3.0
171.08049	3.8
173.05968	15.9
177.05469	37.8
177.07025	1.9
179.08511	4.0
181.06470	12.3
181.10139	3.2
182.07300	2.1
183.04436	7.4
183.08076	6.0
185.05959	14.6
185.09473	1.8
187.07468	5.7
190.07799	3.2
191.07002	8.4
191.08562	5.7
193.10091	1.7
194.07288	4.8
195.08043	33.1
197.05978	14.5
197.09601	5.8
199.07558	3.9
201.05446	28.2
203.08595	1.9
204.09416	2.1
205.06567	1.7
205.10310	2.1
206.07257	2.6
207.08072	4.8
208.05104	1.8
208.08829	4.8
209.06007	5.7
209.09602	21.5
211.07507	11.5
211.11134	1.5
213.09056	2.4
215.07031	20.7
217.15974	1.5
218.10881	2.8
219.08049	9.9
219.11568	1.5
220.08788	1.7
221.09592	7.8
222.06779	2.3
222.10329	4.4
223.07549	13.4
223.11119	3.9
225.09099	4.0
227.06981	6.0
227.10513	2.3
229.08539	3.0
231.08026	3.6
232.08798	4.7
233.09579	6.4
233.13219	4.7
235.07509	4.6
235.11098	4.0
236.08139	1.9
236.11914	4.1
237.09099	46.6
237.12648	12.7
239.10614	4.8
241.08649	15.6
243.11568	1.5
246.10347	8.5
249.09067	10.2
251.10599	5.1
251.14313	13.7
253.08490	2.6
253.16058	1.3
255.10178	8.7
255.13800	2.6
261.12762	22.2
264.11575	6.4
267.10156	2.2
279.13794	72.8
282.12610	2.4
297.14828	100.0
300.09091	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1484
Annotation	CHEBI:69566
Peak:m/z	Relative Intensity
55.01869	1.4
55.05500	2.0
57.07076	2.5
65.03958	0.9
67.05489	3.1
69.07062	7.3
69.55080	1.9
69.55475	6.3
70.23910	0.8
79.05486	2.4
81.07048	3.6
83.08610	1.4
91.04942	0.7
91.05464	5.0
93.07052	4.9
95.04989	0.9
95.08601	5.2
97.06488	0.9
99.08063	1.1
103.05447	3.0
105.07018	14.4
107.04929	2.2
107.08572	1.5
115.05444	4.1
116.24252	0.8
117.07009	5.9
119.04925	0.9
119.08563	5.7
121.06473	1.5
121.10119	2.6
128.06223	2.3
129.07002	1.0
131.04910	4.0
131.08510	1.2
133.10114	6.7
134.10887	3.2
135.07954	0.8
135.11659	0.9
141.06973	7.4
145.06465	12.9
147.04411	2.7
147.08052	1.2
149.05898	1.2
152.06227	4.5
153.06982	5.8
155.04945	1.0
155.08514	1.3
157.06506	1.5
159.04337	2.0
159.08043	1.3
165.06990	4.1
166.07765	3.0
167.08548	9.9
168.05559	1.4
169.06468	9.5
170.07172	1.0
171.08177	1.4
173.05984	10.2
177.05457	10.3
177.06924	1.3
178.07709	1.3
179.08527	3.9
180.05737	1.3
181.06477	21.2
181.10109	2.1
182.07324	1.5
183.08063	3.1
184.05183	2.0
185.05984	1.9
187.07550	2.5
190.07805	1.0
191.07016	16.2
191.08582	2.2
193.06477	1.8
193.10123	4.4
194.07265	7.6
195.08058	38.1
196.08707	1.4
197.05968	38.2
197.09566	3.9
199.07533	2.6
201.05490	6.4
202.07802	1.5
203.08543	3.2
204.09441	1.7
205.06525	3.0
206.07327	2.4
207.08078	3.8
207.11679	2.3
208.08824	1.9
209.06027	0.9
209.09586	11.0
209.13261	1.5
211.07533	24.9
211.11125	1.5
215.07019	100.0
216.07327	1.6
217.10138	2.8
218.07477	0.9
218.10904	3.5
219.08026	4.8
219.11693	4.6
220.08893	1.9
221.06009	2.2
221.09613	14.2
222.06740	7.2
222.10298	2.0
223.07532	57.2
224.07951	2.0
227.07066	1.9
229.08496	1.5
231.08075	2.2
232.08820	0.9
233.09627	1.7
233.13258	1.1
235.07497	2.9
235.11136	11.3
235.42197	0.9
236.08319	2.9
236.12044	4.3
237.09091	23.2
237.12685	10.7
238.01634	0.9
241.08585	18.7
243.11765	1.2
245.09659	1.1
246.10405	8.4
249.09145	2.5
250.09773	1.0
251.10614	1.3
251.11723	1.1
251.14305	12.3
253.08443	1.1
255.10165	9.3
261.12735	35.0
264.11462	2.3
279.13794	79.4
280.14261	1.8
297.14835	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	297.1483
Annotation	CHEBI:69566
Peak:m/z	Relative Intensity
53.03947	0.7
55.05513	0.3
65.03936	0.6
65.24353	0.2
67.05488	0.3
69.07077	0.5
69.49036	1.6
79.05492	3.0
81.07033	0.6
91.04900	0.3
91.05478	8.8
93.07040	15.9
95.04973	1.3
95.08601	0.6
98.97588	0.2
103.05476	1.8
105.07027	100.0
106.07348	0.8
107.04977	0.7
109.10147	0.4
115.05418	0.4
116.98660	0.2
117.07011	0.8
119.04941	11.6
131.08582	0.5
133.10126	54.4
134.10449	0.4
134.99663	0.5
135.11641	0.3
147.04407	44.1
148.04813	0.4
163.03857	0.3
165.05479	3.7
165.06837	0.3
177.06938	0.3
195.07974	0.2
205.06453	0.4
245.60841	0.2
251.07114	0.3
265.08722	0.2
274.97598	0.3
279.06445	0.9
279.23148	0.3
280.10492	1.3
297.07761	1.1
297.11319	0.3
297.14801	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	297.1485
Annotation	Acerogenin C
Peak:m/z	Relative Intensity
52.10518	0.8
55.01858	2.5
55.05501	2.3
57.07071	1.0
63.75909	0.9
65.03934	1.0
67.05504	5.2
68.50689	0.9
68.99776	1.2
69.07062	4.4
70.66245	1.2
70.66598	2.5
79.05485	3.7
81.07060	6.7
91.05473	8.1
93.07054	8.3
95.04947	1.8
95.08595	7.4
103.05460	7.0
105.06379	1.4
105.07030	17.5
107.04944	2.4
107.08591	6.6
109.10138	2.9
115.05451	3.3
117.03387	1.1
117.07003	4.0
119.04911	1.2
119.08586	9.3
121.06495	3.8
121.10137	6.7
128.06216	2.2
129.06970	1.5
131.04918	6.9
131.08569	1.6
133.06517	1.5
133.10130	15.0
134.10909	4.2
135.25293	0.9
141.07002	2.4
143.04945	2.3
145.06471	7.5
147.04424	4.5
149.05981	3.3
152.06215	1.4
153.06985	3.0
155.06020	0.9
155.08565	1.1
157.06499	3.4
159.04390	7.6
159.08093	1.3
161.05939	1.0
162.07864	1.0
165.06966	4.3
165.67790	0.7
166.07764	3.6
167.08577	6.7
169.06517	2.9
169.10056	1.0
171.04395	1.1
171.08067	1.9
173.05971	8.8
175.03865	1.1
177.05475	44.0
177.06926	2.1
178.07803	2.2
179.08597	3.2
180.09378	1.3
181.06439	7.6
181.10092	3.3
182.07185	1.7
183.04390	2.1
183.08043	3.0
185.06010	4.2
187.07521	2.3
190.07787	2.8
191.07024	6.0
191.08553	2.7
193.10158	2.1
194.07245	5.1
195.08061	22.2
197.05980	8.8
197.09630	2.9
199.07587	2.7
201.05492	8.8
203.07002	1.2
203.08630	1.5
204.09410	1.0
205.06514	1.2
205.10310	1.0
207.08057	1.7
208.05051	0.9
208.08916	3.8
209.06082	5.0
209.09587	13.3
210.06702	1.6
210.10204	1.0
211.07526	3.8
213.09096	2.0
215.06990	8.0
218.07307	1.1
218.10858	1.7
219.08043	6.0
219.11610	1.1
221.05887	1.1
221.09680	2.5
222.06769	1.5
222.10371	3.9
223.07545	15.7
223.11031	4.3
225.09023	1.1
227.07088	5.3
229.08508	1.2
231.08057	2.7
232.08824	1.7
233.09500	1.5
233.13257	2.3
235.07515	3.4
235.11095	1.5
236.08330	2.0
236.11940	4.6
237.09100	23.4
237.12628	6.2
241.08594	19.4
246.10501	4.1
247.11310	1.5
249.09148	4.3
250.10004	2.0
251.10759	4.3
251.14319	7.7
255.10179	6.0
261.12744	7.5
264.11484	3.7
267.10135	4.6
279.13803	52.2
282.12610	1.7
297.14856	100.0
298.15161	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	297.1484
Annotation	CHEBI:69566
Peak:m/z	Relative Intensity
52.00224	0.2
53.03926	0.3
53.04533	0.2
55.05511	1.0
65.03936	0.8
67.05508	0.3
67.89405	0.2
70.59750	0.2
77.95904	0.2
79.05492	1.3
81.07053	0.9
91.05476	17.2
93.07032	3.1
95.04972	0.4
96.63789	0.2
103.05465	0.7
105.07027	31.9
107.04954	1.2
108.19104	0.3
115.05424	0.5
117.07023	0.9
118.07775	0.7
119.04939	24.5
123.11674	1.2
124.12030	0.3
131.08563	3.0
133.10124	53.5
134.10443	0.4
147.04402	100.0
148.04744	0.6
157.10196	0.3
162.74492	0.2
165.05513	1.2
195.08009	0.3
197.09610	0.3
239.02283	0.3
257.03256	0.3
279.06467	0.7
280.10440	0.6
297.14801	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	297.1484
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	0.3
55.05511	1.3
65.03949	0.8
67.05495	0.6
69.07063	4.9
69.83620	0.3
69.83940	1.8
79.05492	2.2
81.07053	2.9
83.08594	1.0
83.90051	0.3
88.61566	0.3
91.05476	12.4
93.07030	7.0
95.04963	0.8
95.08600	2.1
97.10114	0.7
98.02563	0.3
98.97543	0.3
103.05455	0.8
105.07024	49.1
106.07371	0.4
107.04956	2.7
107.08580	0.7
109.10154	1.2
111.11672	0.9
117.07003	0.7
119.04936	23.0
121.10138	0.7
123.11713	0.7
131.08571	0.6
133.10121	24.4
135.11667	0.4
137.13248	0.4
139.11197	0.4
145.06584	0.3
147.04398	100.0
148.04750	0.4
149.09535	0.3
149.13330	0.3
157.10129	1.2
159.08127	0.4
159.11763	0.7
165.05489	1.5
165.16429	0.3
177.16330	0.3
183.08018	0.5
194.07281	0.4
197.09584	0.6
205.06528	0.7
207.46071	0.3
208.71397	0.3
209.09453	0.5
215.65059	0.3
222.06747	0.7
222.09930	0.6
223.07262	0.3
233.05911	0.4
235.07214	0.3
237.09102	0.9
251.14261	0.5
265.08554	1.8
269.15326	0.4
279.26706	0.3
280.10480	2.0
297.11191	3.0
297.14786	2.6
297.27850	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	296.1643
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87959	0.1
55.05495	0.2
57.67010	0.1
61.24343	0.1
67.05463	0.2
69.03385	0.1
69.07054	0.1
70.15281	0.6
79.05478	0.2
80.92471	0.1
81.07025	0.2
83.46805	0.2
85.02921	0.1
87.58472	0.1
93.06990	0.2
95.04959	0.2
95.08531	0.1
97.02915	0.1
97.06528	0.1
98.21541	0.2
109.10082	0.2
114.21635	0.1
121.06440	0.2
152.06152	0.2
165.06955	0.9
167.08501	0.2
176.06183	0.2
177.06952	0.2
178.07753	6.2
179.08519	1.7
180.09276	0.3
182.07224	0.2
189.06958	2.5
190.07744	3.0
191.08521	3.0
192.05743	0.2
192.09309	0.8
193.06509	0.4
193.10181	0.7
194.10880	0.2
195.07994	0.3
201.06920	0.3
202.07755	1.7
203.08531	2.0
204.09224	0.5
205.06502	1.7
205.10072	1.1
206.07253	8.3
207.08002	2.8
208.08820	3.4
209.09445	0.6
216.05643	0.4
217.06447	1.7
218.07246	5.3
219.08029	4.6
220.08769	1.4
221.05997	1.9
221.09589	34.7
222.06622	0.5
222.10014	2.8
223.07628	0.3
223.11169	2.7
230.07283	0.3
231.08022	0.6
232.08730	0.2
233.06061	0.2
233.09601	4.4
234.06721	7.0
234.10373	12.5
235.07509	13.4
235.10799	0.7
236.08276	5.4
237.09064	1.1
238.09952	0.2
246.06769	0.6
247.07530	1.0
248.08305	1.0
249.09091	22.6
250.09840	18.3
251.07077	0.4
251.10498	1.9
252.07788	0.3
253.12117	0.2
259.08698	0.2
261.09045	1.1
262.09903	0.5
263.06827	0.8
264.07794	2.3
265.12210	39.4
266.12564	1.7
269.47919	0.1
277.08530	0.4
278.09183	0.3
279.10132	100.0
280.10464	6.7
296.12820	4.6
296.16428	15.7
297.07919	0.2
297.10983	0.4
297.16559	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	296.1279
Annotation	Steporphine
Peak:m/z	Relative Intensity
57.17044	0.2
58.20990	0.2
71.04966	0.2
71.15797	0.2
71.46337	0.4
81.36898	0.2
93.05250	0.2
103.05452	0.3
104.23947	0.2
106.07386	0.2
107.04956	0.6
111.24806	0.2
121.58475	0.2
132.05249	0.4
133.06482	0.5
133.78404	0.2
134.06828	0.5
135.08032	0.3
136.08357	0.3
137.05975	0.4
163.03886	0.2
163.07516	0.9
164.07906	0.8
170.03905	0.3
178.07840	0.5
179.08562	1.5
189.06956	0.6
189.08992	0.2
190.94753	0.2
191.08504	0.3
204.08078	1.1
205.06821	0.3
205.08861	5.4
207.06229	0.3
207.08052	4.4
210.06706	0.3
217.06471	0.8
218.09608	0.4
219.08301	0.3
219.10338	1.2
220.11205	19.5
221.11565	0.4
223.07596	0.3
231.10371	0.3
232.07553	1.0
233.08406	1.8
234.08963	0.3
235.07608	5.5
235.09920	1.2
247.07481	0.2
247.09886	0.3
248.07040	1.7
248.10696	7.2
249.11385	0.7
250.08591	0.5
253.08577	0.8
261.07892	0.3
262.08682	1.6
263.09399	20.5
264.09821	0.7
265.08557	3.2
265.11697	0.4
268.09570	0.3
276.10190	1.1
277.10931	1.3
278.11740	100.0
279.09152	0.4
279.12073	2.5
281.08029	2.2
296.09909	1.8
296.12885	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	296.128
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99638	0.3
59.04436	0.3
70.27790	1.6
81.71539	0.4
82.06099	0.3
109.68645	0.4
112.78670	0.4
165.07048	0.5
178.07780	4.1
188.68399	0.3
189.07005	1.5
190.07794	1.7
191.08492	0.6
197.50313	0.4
202.07809	0.8
205.06432	0.7
206.07277	4.7
208.08861	1.4
218.07245	1.9
219.07936	0.7
220.08688	0.9
221.09622	22.2
222.10028	0.4
223.11250	1.9
233.09621	1.8
234.06799	4.2
235.07497	0.6
236.08385	1.0
246.06856	0.6
248.08307	1.0
249.09106	16.6
250.09720	0.6
251.07219	0.5
251.10649	1.0
261.09140	1.0
262.09781	0.5
264.07831	1.6
279.10165	100.0
280.10577	1.3
296.12729	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	295.2266
Annotation	9-OxoODE
Peak:m/z	Relative Intensity
51.42562	2.1
53.03933	5.6
55.01862	4.4
55.05511	15.3
56.42087	1.7
57.03425	4.0
57.07058	6.1
57.67635	1.8
67.05174	2.4
67.05505	41.2
69.03430	6.4
69.07060	19.8
70.55746	2.0
71.04988	4.3
71.08627	11.6
71.61029	3.1
72.03448	1.6
72.61699	1.7
79.05495	23.2
81.03417	28.8
81.07043	23.5
83.04968	5.9
83.08620	4.5
85.06532	5.2
91.05482	13.9
93.07041	31.8
95.04962	20.5
95.08608	24.0
97.06515	6.0
97.10158	7.8
99.08096	9.0
105.07036	11.1
107.04947	12.1
107.08581	17.0
109.06491	4.6
109.10150	14.4
113.09622	2.2
117.07031	3.5
119.08569	8.4
121.06466	3.0
121.10136	14.2
123.08048	2.2
123.11715	5.0
125.09621	3.1
131.08536	4.5
133.10107	9.4
135.11705	11.2
137.09636	17.1
139.11165	3.1
143.08452	2.2
145.10164	2.9
147.11670	5.3
149.09589	3.9
149.13258	7.9
151.11169	16.0
151.14796	1.8
159.11681	5.6
160.97781	2.0
161.13303	5.6
162.99178	2.0
163.11174	2.6
165.12761	3.7
171.08040	2.2
171.11734	1.9
173.13338	3.5
179.14255	4.7
185.13252	3.3
195.13794	2.1
199.14900	2.5
203.12784	3.3
221.15401	4.2
241.19537	5.1
249.22115	3.8
259.20755	5.4
265.12079	3.6
277.21603	100.0
278.21957	2.9
295.13431	2.5
295.22729	69.0
295.27850	14.5
296.13034	2.1
296.33990	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2632
Annotation	Methyl linoleate
Peak:m/z	Relative Intensity
53.03935	4.7
55.01898	3.4
55.05268	4.6
55.05512	62.1
57.07076	23.2
58.07503	2.9
64.81018	3.0
67.05172	4.7
67.05503	62.3
69.07069	100.0
71.08627	11.1
71.11787	9.5
73.06576	3.5
79.05487	23.1
81.07054	96.7
83.04991	7.5
83.08619	46.9
85.06562	4.6
85.10176	3.6
86.56216	2.9
91.05491	28.3
93.07037	39.2
95.04993	3.6
95.08608	83.9
97.06510	16.9
97.10176	44.0
99.08115	3.0
105.07041	22.9
107.04892	3.6
107.08602	30.9
109.06522	6.0
109.10160	45.6
111.08086	9.8
111.11719	18.0
119.08569	24.5
121.10136	32.4
123.08039	5.1
123.11718	23.0
125.09622	7.3
125.13263	7.6
131.08530	2.9
133.10152	33.7
135.11685	21.0
137.09576	10.1
137.13254	9.5
139.11197	5.7
143.10638	4.7
147.11728	20.1
149.13295	19.8
151.11209	8.3
151.14812	8.7
155.10681	3.3
161.13261	20.3
163.14819	11.2
165.12808	3.9
165.16405	8.0
167.14336	5.3
175.14813	12.9
179.14270	5.7
179.17918	10.8
181.15805	3.2
185.15221	3.7
189.16356	13.3
193.15868	5.1
197.44847	2.9
207.08102	3.4
217.19568	3.3
219.07983	6.2
219.21040	3.7
221.22621	8.5
233.09694	3.7
234.10306	7.4
235.07581	9.5
245.22655	68.8
250.09842	7.7
263.23721	65.9
265.12332	19.6
295.26370	12.3
296.12933	5.2
296.16595	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	296.0662
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08161	4.0
69.73103	0.9
69.73529	2.6
70.83489	0.6
71.07368	2.2
75.02050	0.5
79.21529	0.5
80.71775	0.6
86.09702	20.9
93.85462	0.5
104.10743	100.0
105.11062	1.2
116.37090	0.6
142.00757	0.5
158.95509	0.6
199.06262	0.5
200.29889	0.5
221.51012	0.6
226.30774	0.5
236.97359	0.4
236.99242	30.4
296.06610	44.2
297.06976	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2267
Annotation	13-OxoODE
Peak:m/z	Relative Intensity
52.41079	1.7
53.03933	5.3
55.01855	6.4
55.05271	2.4
55.05512	41.9
57.03445	2.6
57.07067	4.0
57.52971	1.8
67.05504	81.9
69.03414	2.4
69.07063	22.5
70.05323	7.9
71.04978	3.9
71.08630	28.1
74.64972	1.6
79.05067	2.6
79.05495	38.0
81.03418	18.6
81.06581	2.9
81.07049	40.7
83.04974	9.7
83.08617	22.3
85.06533	3.9
91.05478	17.9
93.07039	36.3
95.04974	13.9
95.08611	23.4
97.06509	6.4
97.10168	39.6
99.08092	26.6
105.07032	15.0
107.04930	6.7
107.08588	32.2
109.06491	5.4
109.10165	26.5
111.08077	5.9
113.09625	2.6
117.07006	6.8
119.08562	12.5
121.10149	13.5
123.07990	2.3
123.11694	6.1
125.09609	27.2
129.06982	2.8
131.08527	4.0
133.10114	15.5
135.08043	3.7
135.11691	17.9
137.05966	17.2
137.09601	2.3
137.13231	2.1
138.06291	9.8
143.08528	4.9
145.10118	3.0
147.04399	4.0
147.11658	9.4
149.13293	12.7
151.11177	26.0
153.09085	3.9
157.10095	2.2
159.11690	2.3
161.13264	14.9
163.11169	9.2
163.14832	4.2
171.11639	4.6
173.13266	3.3
175.11169	2.3
175.14845	3.7
177.12772	2.3
179.14333	9.0
181.12254	2.5
184.07309	3.3
185.13202	3.4
189.11229	27.3
189.12761	2.1
199.14687	1.9
207.13806	3.4
221.09593	2.7
231.20967	3.7
241.19498	7.6
259.20642	12.3
269.18524	1.8
277.21628	100.0
278.21494	2.0
279.10065	5.8
295.22644	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	295.2268
Annotation	9(S)-HOTrE
Peak:m/z	Relative Intensity
52.95968	2.2
53.03939	7.3
55.01865	19.1
55.05300	2.5
55.05515	32.9
57.03428	5.3
57.07065	9.7
57.26283	2.1
62.06514	2.4
67.05501	62.3
69.03427	9.0
69.07068	35.7
71.04993	5.7
71.08622	9.3
71.60237	4.3
79.05495	39.6
81.03423	17.0
81.07056	60.3
83.05009	13.0
83.08617	13.3
85.06546	5.4
85.10217	3.1
91.05477	27.7
93.07039	47.4
95.04971	23.3
95.08611	51.2
97.06551	9.8
97.10156	16.7
99.08100	10.0
105.07029	34.7
107.04966	5.5
107.08600	26.8
109.06509	6.8
109.10146	27.2
111.08066	4.0
117.07007	3.6
119.04923	2.6
119.08585	25.8
121.06535	4.7
121.10133	25.2
123.08060	21.1
123.11717	8.8
125.09607	14.2
127.27019	2.3
129.07016	7.5
131.08574	13.4
133.10138	34.6
135.04369	3.6
135.08141	2.2
135.11714	17.6
137.05948	4.3
137.09616	25.9
139.11150	22.4
139.83154	2.2
143.08572	6.7
145.10135	8.5
147.04382	12.0
147.11650	13.7
149.09589	2.8
149.13304	11.1
151.11185	14.0
153.12762	3.0
155.08656	3.8
158.10941	4.0
159.11717	5.6
161.13301	8.4
163.03891	12.3
163.09834	2.3
163.11235	4.1
165.12798	5.1
171.10310	3.7
171.11758	8.8
173.13184	14.3
175.14792	4.1
179.08496	3.4
179.14362	6.0
181.12296	4.7
181.87450	2.3
183.11652	2.8
185.13266	4.4
185.77838	2.6
189.11261	7.2
193.05234	2.3
199.14653	2.7
199.75708	2.4
207.13815	3.5
221.09703	5.3
221.15463	3.9
231.21269	6.1
234.10309	3.8
241.19556	6.0
249.22166	13.5
250.10004	3.5
259.20627	8.8
262.52847	2.8
265.12262	7.0
277.21609	96.9
279.10229	9.2
295.13562	19.9
295.17487	4.0
295.22763	100.0
296.13428	3.1
296.16568	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	295.2268
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
53.03940	7.1
55.01868	10.3
55.05512	44.5
57.03430	4.2
57.07066	10.4
65.03935	2.2
67.05507	88.7
69.03421	3.3
69.07069	38.3
71.04994	5.3
71.08633	13.7
71.60420	4.4
79.05492	41.5
81.03403	9.3
81.07056	67.4
83.05003	12.9
83.08622	26.9
85.06532	5.5
85.10201	4.1
86.09706	4.4
90.79797	2.5
91.05478	26.8
93.07045	55.2
95.04975	12.4
95.08604	44.5
97.06538	9.0
97.10169	27.8
99.08089	12.4
102.19413	3.2
104.10815	2.7
105.07041	24.9
107.04937	9.0
107.08591	39.8
109.06502	10.5
109.10162	35.0
111.08064	7.5
111.11691	3.3
115.07584	2.2
117.07003	7.0
119.08590	17.4
121.06535	2.4
121.10139	19.8
123.08060	6.6
123.11691	9.0
125.00014	4.4
125.09019	2.0
125.09651	20.2
129.07019	3.7
131.08574	8.4
133.10146	12.7
135.08041	3.6
135.11688	17.4
137.09590	5.5
139.11209	11.7
142.52097	2.5
143.08554	4.7
145.10162	6.8
147.04398	10.0
147.08031	3.2
147.11707	13.9
147.82123	2.2
149.09612	5.6
149.13237	11.5
151.11189	11.4
153.09154	4.3
157.10114	4.6
159.11667	6.9
161.13252	13.2
163.03941	3.4
163.11243	4.5
163.14813	5.1
165.12738	5.5
171.11681	4.5
173.13223	4.8
175.14871	7.4
177.12642	3.2
179.14314	9.7
181.12157	5.6
184.07321	18.1
185.13257	4.8
189.11208	18.4
193.15839	2.9
199.14995	2.8
207.14073	2.5
221.09628	3.7
221.15327	6.4
231.21082	4.9
235.07619	4.1
241.19464	6.1
249.22095	4.0
250.09843	2.8
259.20569	13.8
265.12250	8.3
277.21625	100.0
279.10205	7.3
295.06015	3.0
295.17084	3.0
295.22717	52.2
295.25952	2.1
296.16431	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	295.2271
Annotation	9(S)-HOTrE
Peak:m/z	Relative Intensity
51.34750	4.2
51.39141	3.9
53.03937	9.4
55.01866	12.2
55.05296	4.9
55.05514	51.6
55.86320	3.9
56.96565	7.7
57.03438	4.8
57.07067	12.4
64.04179	4.1
67.05505	84.2
69.03418	5.6
69.07068	37.1
71.05003	5.6
71.08629	15.1
71.62859	6.4
79.05501	34.5
81.03397	8.4
81.07064	63.6
83.04984	10.9
83.08612	27.3
85.06538	5.7
86.09689	11.8
91.05479	32.6
93.07043	58.3
95.04976	26.5
95.08607	42.2
97.06522	8.5
97.10145	28.7
99.08086	11.8
99.27113	4.4
105.07021	29.6
107.04968	11.5
107.08588	59.9
109.06502	8.3
109.10155	40.0
111.08090	5.6
117.07038	4.8
119.08601	23.1
121.10139	19.6
123.08061	10.9
123.11725	9.0
125.09618	22.5
127.75607	4.5
129.06946	6.2
131.08589	11.7
133.10152	31.0
135.08046	5.9
135.11685	21.7
137.05908	5.5
137.09624	9.5
139.11185	7.9
147.04408	7.2
147.08078	4.3
147.11670	19.0
149.13278	9.2
151.11200	23.8
153.12730	5.3
157.10089	10.6
159.11719	8.3
161.13300	10.7
161.65410	3.9
163.11192	4.2
165.12715	7.5
173.11752	4.5
173.13173	5.4
175.14723	6.0
179.14319	7.8
184.07370	20.0
189.11255	20.9
199.14848	4.7
203.69070	4.3
203.98360	4.6
219.08032	4.7
231.21042	6.8
234.10466	6.3
241.19534	6.4
250.09915	8.1
265.12146	12.2
277.21643	100.0
279.10248	10.3
295.22714	53.0
296.09378	7.7
296.12811	5.1
296.16336	6.0
297.03040	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	295.2267
Annotation	13-OxoODE
Peak:m/z	Relative Intensity
53.01239	1.5
53.03946	14.0
55.01867	6.2
55.05506	17.8
56.03304	1.6
57.07068	6.4
64.05492	1.5
65.03954	1.8
67.05502	43.6
67.15482	1.5
69.07070	38.3
69.17707	1.8
69.40382	4.9
69.40803	13.8
71.04992	2.9
71.08625	4.7
79.05491	33.3
81.03416	50.8
81.07056	43.1
83.04991	14.0
83.08621	11.9
85.06549	2.3
85.10207	1.8
91.05474	20.4
93.07040	34.3
94.39319	1.8
95.04965	29.7
95.08601	18.8
97.06548	3.5
97.10148	8.4
99.08076	3.3
105.07027	29.5
107.04960	2.3
107.08591	26.0
109.06532	8.3
109.10148	12.4
111.08102	3.1
115.07566	1.9
117.07011	5.4
119.04973	3.4
119.08571	10.7
121.06523	3.2
121.10132	9.0
123.08060	2.2
123.11710	6.7
125.09639	6.3
129.06996	4.6
131.08577	6.2
133.10127	20.0
135.08066	2.4
135.11661	9.5
137.06007	3.1
137.13275	2.6
143.08607	3.1
145.10048	3.2
147.04549	1.8
147.08064	3.6
147.11668	9.1
149.13191	8.3
151.11194	32.2
153.09100	4.4
157.06499	1.7
159.11717	1.8
161.13280	12.5
163.03915	4.3
163.14815	5.2
165.12744	5.4
171.11674	5.9
173.02411	1.8
173.13260	4.6
175.14828	4.5
177.12791	2.7
179.14340	4.2
185.13261	5.1
189.11183	4.2
189.12724	2.3
207.13806	7.2
213.00166	2.6
221.15335	3.8
223.07555	2.4
231.11557	2.0
231.21230	4.2
234.10541	2.4
235.07616	2.6
235.10966	2.0
241.19455	10.2
249.22121	3.2
259.11154	4.4
259.20633	6.7
265.12177	4.3
269.02625	2.4
271.98489	2.0
277.12228	6.9
277.21609	100.0
279.10236	5.4
295.13361	15.8
295.22708	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2268
Annotation	13-OxoODE
Peak:m/z	Relative Intensity
53.03944	3.6
55.01863	4.5
55.05513	23.1
57.03437	3.1
57.07076	9.9
60.08157	7.9
67.05502	48.0
69.07063	33.9
69.44086	18.3
70.07391	4.1
71.04990	4.8
71.07359	4.9
71.08273	3.0
71.08633	30.3
74.78327	1.6
79.05494	23.8
79.64583	1.7
81.03407	6.1
81.07058	37.0
83.04975	8.3
83.08614	14.6
85.06532	4.8
86.09705	32.3
91.05466	13.2
93.07034	33.2
95.04967	9.0
95.08598	23.9
97.06522	4.9
97.10175	12.5
98.98471	5.4
99.08092	25.7
104.10744	3.8
105.07027	13.6
107.04935	3.5
107.08593	19.6
109.06512	6.9
109.10148	12.0
111.08061	3.5
111.35336	2.1
113.09628	1.8
115.07560	7.1
117.07011	3.7
119.08578	13.3
121.10149	10.6
123.08058	14.2
123.11723	4.4
123.32205	1.9
125.00008	25.9
125.09635	10.1
125.57971	1.8
129.01070	2.4
129.06984	2.4
131.00693	2.8
131.08569	5.0
133.10121	14.4
135.08032	8.0
135.11697	9.5
137.09583	4.0
141.01024	2.0
143.00790	2.3
143.08553	2.0
145.10112	7.6
147.04431	3.1
147.08067	3.0
147.11676	6.9
149.09601	4.4
149.13254	5.7
151.11194	25.8
159.11668	3.7
161.09608	2.3
161.13249	11.1
163.11200	11.2
165.09132	4.4
165.12706	5.2
173.13290	2.7
175.14795	4.3
177.12660	2.7
179.14305	19.2
180.14619	3.2
184.07330	100.0
185.07693	6.0
185.13177	4.3
189.11218	8.4
193.15855	3.2
198.07643	5.2
199.06941	4.7
200.78633	1.7
241.19501	4.6
259.20587	5.4
265.12302	2.2
277.21609	47.4
279.10022	2.3
295.10162	4.9
295.19266	4.2
295.22659	20.2
296.09708	5.5
319.22205	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2268
Annotation	9-Hydroxy-(10E,12Z,15Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
53.03944	2.4
55.01870	9.4
55.05512	47.9
57.03428	6.8
57.07062	7.3
65.01209	1.4
65.03925	2.4
67.05503	95.0
68.08125	1.7
69.03408	5.1
69.07065	35.6
70.21624	7.5
71.04984	5.8
71.08629	11.0
79.05060	2.6
79.05492	44.4
81.03422	9.4
81.07055	67.6
83.04984	15.7
83.08614	25.2
85.06546	7.9
91.05480	25.3
93.06468	2.8
93.07043	53.4
95.04956	16.2
95.08601	37.5
97.06542	9.3
97.10167	32.2
98.20787	2.3
99.08059	11.9
105.07025	19.7
107.04943	4.5
107.08581	36.2
109.06529	5.4
109.10155	37.5
111.08089	6.7
111.11732	2.1
117.07006	5.1
119.08578	20.9
121.10152	24.2
123.08054	3.3
123.11703	6.3
125.09628	22.9
129.07011	2.8
131.08574	6.1
133.10124	15.8
135.08041	4.8
135.11691	18.7
135.70924	1.9
137.09593	9.5
137.13248	1.9
139.11166	14.0
143.08530	2.7
143.10654	2.2
145.10115	4.0
147.07999	2.6
147.11667	13.3
149.13248	8.9
151.11189	13.4
153.09155	3.1
153.12721	2.5
157.10170	2.3
159.11693	4.2
161.09604	1.8
161.13257	11.6
163.11182	4.3
163.14758	4.1
165.12746	5.1
167.14439	2.1
168.37231	1.6
171.11678	4.4
173.11763	3.0
173.13179	2.7
175.11224	2.5
175.14819	5.5
177.12679	2.2
179.14311	5.2
184.07318	2.4
185.13339	4.9
189.11217	17.3
193.15865	3.8
199.14787	2.8
201.76595	1.8
207.13878	2.7
221.15364	3.4
226.89731	2.0
231.21089	5.8
241.19452	5.4
249.22208	4.8
259.20590	11.6
277.21609	100.0
295.22684	54.9
314.40543	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2267
Annotation	13-OxoODE
Peak:m/z	Relative Intensity
51.15531	1.9
53.03942	12.0
55.01855	4.1
55.05507	19.6
57.07063	3.8
67.05170	2.9
67.05501	43.4
69.07067	34.6
71.07030	5.8
71.08624	3.1
71.98171	1.7
79.05491	26.8
81.03415	57.0
81.07057	38.6
83.04970	11.9
83.08619	8.7
85.10175	2.8
91.05481	13.9
93.07047	25.8
95.04965	37.6
95.08602	16.6
97.06509	2.2
97.10183	3.5
99.08082	3.1
105.07025	13.5
107.08588	21.8
109.06481	6.1
109.10162	13.0
111.08072	3.1
117.07061	3.2
119.08579	10.2
121.10123	7.9
123.11712	5.2
125.09600	4.8
131.08569	3.1
133.10121	15.8
135.08055	4.2
135.11647	3.8
137.09610	2.8
143.08562	2.2
145.10046	1.9
147.11659	7.6
149.13254	6.8
151.11174	37.8
151.75468	1.9
153.09142	4.1
159.11729	2.0
161.09621	1.8
161.13255	8.5
163.14806	4.4
165.12766	10.1
167.14345	1.9
171.11723	3.5
173.13136	2.7
175.14793	3.7
179.10719	2.1
179.14330	4.3
189.12831	2.0
193.12296	3.4
199.14703	2.1
207.13779	3.1
217.19508	2.6
221.15271	2.6
230.21014	1.8
231.21075	8.4
241.19521	5.6
249.22043	5.7
259.20587	10.0
277.21625	100.0
278.22064	4.1
295.22629	2.5
300.01587	1.8
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
53.03939	5.9
55.01868	4.9
55.05260	2.3
55.05512	32.3
57.03429	4.4
57.07068	7.7
65.03940	2.7
67.05504	72.8
69.03419	2.4
69.07072	24.7
70.49725	1.7
70.87142	4.7
71.04990	3.4
71.08629	41.7
79.05490	51.9
81.03417	8.4
81.07053	71.1
83.04984	13.7
83.08619	20.0
85.06542	3.7
91.04956	2.9
91.05479	26.8
93.07043	74.4
93.07629	3.9
95.04952	8.7
95.07978	1.9
95.08604	40.9
97.06522	12.2
97.10178	17.6
99.08096	34.7
105.07034	17.9
107.04948	7.0
107.08597	41.0
109.06511	2.8
109.10155	37.8
111.08086	4.8
113.09654	4.0
117.07027	5.2
119.08562	17.2
121.10140	36.3
123.08041	2.2
123.11661	2.3
125.09615	11.2
129.06978	2.6
131.08560	6.0
132.10139	2.6
133.10121	15.4
135.11697	41.8
137.09613	5.7
139.11221	1.9
141.09077	4.2
143.08600	1.7
145.10130	4.8
147.04492	1.9
147.11707	6.1
149.13261	14.8
151.11189	15.0
153.12755	3.3
157.10139	2.9
159.11662	4.7
161.13269	11.4
163.11179	5.2
163.14824	3.5
167.10638	2.3
171.11658	3.2
172.95268	1.9
173.11780	2.9
173.13240	2.8
175.14859	3.2
177.12750	5.5
179.14308	100.0
181.12251	2.3
189.11282	9.0
189.12718	2.6
193.15970	2.1
195.13898	5.3
207.13948	2.3
221.15352	4.5
231.17661	1.8
235.17053	4.3
241.19658	2.0
245.33002	1.7
259.20569	10.2
277.11957	2.2
277.21631	74.0
277.24741	3.8
295.13211	2.0
295.22720	8.9
305.13107	1.9
310.91840	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1901
Annotation	Nordihydrocapsiate
Peak:m/z	Relative Intensity
50.58969	0.7
53.03917	1.1
55.01854	5.5
55.05508	4.3
56.96567	1.2
57.03419	0.7
57.07061	1.3
67.05503	5.3
69.03432	1.1
69.07059	5.3
71.04992	1.1
71.59635	0.9
79.05489	6.6
81.07055	28.3
81.71675	0.7
83.04974	2.4
83.08606	3.1
91.05482	4.6
93.07029	4.8
95.04981	1.8
95.08598	6.8
97.06490	1.3
102.19611	0.8
105.06995	3.8
107.04973	1.7
107.08588	4.2
109.06523	11.6
109.10129	2.3
111.04443	11.6
111.08099	1.3
117.07040	1.1
117.24371	0.8
119.04961	1.9
119.08580	3.6
121.06461	0.9
121.10137	3.2
123.08046	2.4
123.11719	1.2
125.05972	3.9
125.09624	3.6
129.06990	0.9
131.08537	2.4
133.10133	3.3
135.08064	2.2
135.11699	3.6
137.05972	100.0
137.13203	1.9
138.06300	1.3
138.18431	0.8
139.11168	2.6
143.08565	1.5
145.10136	1.6
147.04414	10.2
147.08047	1.6
147.11705	4.3
149.09639	3.5
149.13306	1.4
151.07541	2.8
151.11192	1.4
157.10149	1.4
157.74634	0.8
159.11696	1.2
161.09624	4.0
161.13261	1.5
163.03938	1.4
163.11180	2.9
165.09058	2.4
165.12775	1.4
167.10628	1.5
175.11171	4.6
175.14841	0.8
175.57664	0.9
179.10655	1.5
184.07324	0.9
189.12659	1.2
193.12289	1.5
203.18063	4.1
213.16435	2.0
221.06030	0.8
221.09608	1.9
221.18994	1.7
231.17427	10.1
235.07703	1.1
239.02307	1.8
239.06779	0.8
241.15807	1.1
249.08989	1.2
249.18492	11.4
257.03345	3.0
265.12274	1.5
277.17987	36.6
277.21240	2.0
278.18265	1.3
279.10202	3.5
281.03204	1.2
295.06046	2.3
295.13379	1.2
295.19006	16.2
295.22424	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2265
Annotation	9-OxoODE
Peak:m/z	Relative Intensity
53.03934	4.6
55.01865	11.1
55.05268	1.9
55.05512	33.3
56.96542	2.8
57.03090	1.6
57.03422	2.4
57.07063	5.3
67.05503	66.1
69.03417	3.0
69.06713	2.3
69.07068	25.1
70.75500	5.1
70.75891	2.1
71.04994	3.6
71.08630	48.3
79.05489	38.2
81.03411	11.8
81.07053	50.4
83.04966	12.4
83.08614	19.3
85.06551	6.8
86.09707	2.2
91.05475	27.2
93.07033	38.7
95.04979	11.3
95.08612	30.2
95.09182	3.6
97.06509	11.2
97.10163	23.2
99.08089	44.4
105.07035	19.1
107.04941	5.8
107.08590	28.5
109.06514	5.7
109.10152	24.4
111.08080	7.0
113.09644	4.4
113.26104	1.8
115.05470	2.4
117.07010	7.1
119.04949	6.6
119.08563	12.8
121.06487	4.2
121.10134	17.5
123.08018	2.5
123.11668	3.8
125.09637	25.7
129.07004	3.0
131.08568	8.9
133.10147	14.9
135.08008	2.5
135.11674	17.6
137.09593	2.8
137.13228	2.2
139.07549	2.0
143.08533	3.2
145.10109	10.1
147.04401	17.5
147.11684	10.8
149.09610	19.1
149.13297	10.6
151.11186	39.0
153.12646	2.5
154.94901	1.7
157.10117	3.4
159.11702	5.8
161.09581	1.9
161.13272	19.4
163.11182	18.6
163.14804	5.0
165.06990	4.2
165.12769	7.3
167.14374	1.8
171.11678	5.2
173.13245	4.5
175.14815	4.6
177.12860	3.7
179.14293	14.1
181.12206	2.6
184.07388	2.5
185.13188	5.3
189.11261	19.5
189.12772	2.9
193.06456	2.5
193.15874	2.8
199.14833	2.1
207.13818	3.5
221.06085	3.9
221.15424	2.6
231.21121	4.1
235.16988	2.1
239.07103	12.8
241.19461	9.2
249.22121	5.1
259.20596	14.6
266.05740	2.2
267.06531	15.6
277.21609	100.0
279.10202	8.8
295.06107	8.9
295.13196	5.4
295.22699	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	295.2267
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
53.03941	4.2
55.01868	19.0
55.05508	32.9
56.65299	1.4
57.03432	4.0
57.07069	8.6
59.05008	2.1
67.05501	54.5
69.03441	3.9
69.07066	22.5
69.89983	9.3
71.04976	4.0
71.08630	28.1
73.06564	1.4
79.05489	32.2
81.03417	11.4
81.07051	47.2
83.04965	13.8
83.08615	24.4
85.02906	1.7
85.06545	5.0
85.10191	7.5
91.05479	27.5
93.07036	35.0
95.04962	14.0
95.08605	32.5
97.06527	10.9
97.10155	17.1
98.21496	1.8
99.08085	25.4
105.07024	22.1
107.04968	5.1
107.08595	22.6
109.06517	5.3
109.10150	18.5
111.08077	17.8
113.09645	9.0
117.07048	3.7
119.08567	13.8
121.10147	16.6
123.08089	6.0
123.11716	5.2
125.09608	11.9
127.11199	1.9
129.06992	3.4
131.08601	5.8
133.10115	18.2
135.08058	2.1
135.11687	15.3
137.09587	5.3
137.13287	2.3
139.07565	1.9
139.11183	5.2
141.12715	1.7
143.08562	2.8
145.10118	6.8
147.04411	4.1
147.11693	17.2
149.09634	6.7
149.13223	7.9
151.11186	25.2
153.09137	2.0
157.10143	4.1
159.11714	4.4
161.09613	1.8
161.13239	12.4
163.11176	14.2
163.14828	2.7
165.12766	14.8
171.11740	5.4
173.13297	2.0
175.11136	3.0
175.14777	3.8
179.14304	10.7
181.12262	2.2
185.13274	3.2
189.11221	6.2
189.12772	1.9
193.12289	1.8
193.36130	1.5
199.14705	2.8
207.13853	3.1
215.18066	1.7
221.09506	4.0
221.15158	2.3
231.21054	2.5
235.16965	2.0
241.19551	6.7
245.93604	1.5
249.08997	2.4
249.22177	4.2
259.20560	13.4
277.21613	100.0
279.10144	11.6
295.06232	2.8
295.09631	1.8
295.22650	45.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1541
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.9
55.01867	2.4
55.05500	3.1
56.96547	1.0
57.03439	19.7
57.07077	1.4
59.04985	1.1
61.02933	9.1
67.05493	3.3
69.03432	33.1
69.07078	3.9
70.40044	0.8
71.01370	5.1
71.04981	2.5
71.58308	1.4
73.02918	39.3
79.05490	4.3
81.03419	7.5
81.07064	7.0
83.04967	1.9
83.08614	0.9
84.08143	1.6
85.02906	32.8
86.09709	3.2
87.04466	3.1
91.03978	1.4
91.05480	11.6
93.07047	11.0
95.04951	3.7
95.08613	5.3
97.02896	24.8
97.06514	1.2
98.97588	1.3
99.04442	3.9
99.08093	1.1
99.34369	0.8
102.05585	0.8
103.03933	2.9
103.05479	1.1
105.07033	35.3
107.04942	2.6
107.08593	13.0
109.02878	2.7
109.06512	3.1
109.10165	4.4
111.04464	1.2
112.73163	1.0
115.03929	23.7
115.05531	2.1
116.11331	1.0
116.98623	0.9
117.07018	2.8
118.07787	1.5
119.04972	1.1
119.08595	9.7
121.06528	4.3
121.10136	7.9
123.04398	1.5
123.08094	1.9
123.11700	5.2
127.03928	8.8
128.06235	1.4
129.05455	0.8
129.06992	2.8
131.04898	1.1
131.08568	8.0
132.95834	2.4
133.04985	7.5
133.06522	3.9
133.10135	100.0
134.10460	1.5
134.99664	1.1
135.04430	1.0
135.08069	2.7
135.11699	9.7
137.05995	1.2
141.06912	1.2
142.07797	2.1
143.08540	3.5
145.04970	6.3
145.06473	1.1
145.10135	6.5
147.08052	3.1
147.11714	5.4
149.09628	3.2
150.07785	2.3
150.96922	2.0
151.11224	4.7
155.08585	0.8
156.09369	1.0
157.10159	4.8
158.07101	1.0
159.08063	2.2
159.11720	4.7
161.06000	2.6
161.09572	5.0
161.13246	1.0
162.96935	1.3
163.03877	6.5
163.06007	1.1
165.06996	1.1
169.10086	2.6
171.07996	1.3
171.11703	1.7
173.06102	0.8
173.09639	3.1
174.96933	3.8
175.07484	1.0
175.11153	7.0
177.00723	0.9
183.11746	1.2
185.09615	1.3
186.96931	1.5
187.11201	3.3
189.09033	1.1
189.12750	1.1
192.97948	1.5
193.05034	2.3
199.11217	2.0
204.97908	1.2
213.12697	1.3
217.12146	1.7
229.12263	1.1
231.06615	0.9
231.13702	1.1
234.99138	1.8
237.02798	0.9
241.07144	1.2
241.12270	1.5
245.22586	1.0
259.13345	3.0
267.06491	1.0
277.14322	4.3
295.08310	1.7
295.15405	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	295.154
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	4.2
54.82903	2.0
55.01874	3.7
55.05499	6.7
57.03417	9.3
57.73589	2.0
59.04990	4.6
61.80726	2.0
62.85104	2.1
65.03941	3.5
67.05498	10.4
69.03079	2.6
69.03427	40.5
69.07053	5.4
70.88013	3.5
70.88352	3.8
71.01340	4.3
71.04978	3.8
71.43072	2.1
73.02906	5.8
79.05489	21.8
81.03435	13.5
81.07067	23.9
81.59612	2.1
83.04969	8.4
85.02910	22.0
87.04453	3.1
90.09694	2.2
91.05482	26.0
93.07040	42.7
95.04970	15.2
95.08595	7.8
97.02897	29.7
97.06538	2.9
99.04440	5.3
103.03960	4.5
105.07028	69.3
107.04966	19.7
107.08595	26.1
109.02862	2.9
109.06533	11.7
109.10175	11.0
111.04445	4.9
113.97826	2.3
115.03927	3.4
117.07027	5.8
117.43373	2.4
119.05005	2.6
119.08580	22.6
121.06517	9.8
121.10146	19.4
123.04341	2.4
123.08058	2.9
123.11720	16.1
125.05964	3.2
127.03906	11.3
128.06223	2.4
129.07019	5.4
131.08553	17.1
133.06482	6.5
133.10126	100.0
135.07117	2.3
135.08005	11.6
135.11691	10.9
137.05875	3.7
139.07523	2.8
141.06944	3.6
142.07776	3.1
143.08568	12.8
144.09335	2.7
145.04948	4.1
145.06482	6.5
145.10104	17.8
147.08023	9.1
147.11700	11.4
149.09579	9.3
151.11182	28.6
155.08575	2.4
157.10152	12.3
159.08028	6.0
159.11720	11.3
160.28841	2.3
161.09621	48.4
163.03891	9.0
163.11176	6.6
165.06995	2.6
167.07092	2.4
168.09572	2.5
169.10184	3.0
171.08147	2.2
171.11615	3.4
173.09604	13.0
175.11157	15.4
178.07819	2.5
181.10127	3.1
187.11166	8.7
199.11195	3.2
199.20667	2.2
205.06590	3.4
205.12231	4.1
211.11195	2.3
213.12805	3.9
217.12215	8.5
222.06602	2.4
229.12148	2.7
231.13808	3.1
235.07513	12.3
235.66704	2.4
239.06802	2.2
239.09071	2.5
239.87581	2.4
241.12216	3.4
247.13423	3.0
259.13287	7.1
263.06964	7.7
264.07785	2.7
277.14279	16.0
295.06323	4.6
295.09653	15.6
295.15402	54.6
296.64877	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1328
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13814	0.3
55.05508	1.3
56.96531	0.3
57.07053	0.2
60.85676	0.2
64.36344	0.2
65.03937	0.6
67.05499	2.0
69.03395	0.3
69.07056	1.0
70.89801	0.4
71.08629	1.0
79.05492	1.0
81.07079	1.4
83.04974	0.4
83.08568	0.5
86.09656	0.3
91.05481	15.7
93.07039	1.2
95.04977	0.6
95.08604	1.3
97.06519	0.5
97.10175	0.6
99.08093	1.1
103.05477	0.2
105.07031	0.9
107.04993	0.3
107.08609	1.1
109.06487	0.3
109.10179	1.4
109.39114	0.2
111.08128	0.3
112.02429	0.3
115.05463	0.8
116.06257	2.0
117.06989	0.2
119.04942	23.2
119.08583	0.8
120.05231	0.5
121.10141	0.3
125.09618	0.6
129.07007	1.4
131.08566	16.4
133.06482	0.2
133.10106	0.6
135.11665	0.6
142.07779	0.7
145.10129	0.2
147.04407	100.0
148.04749	1.2
151.11162	0.7
155.08501	0.6
157.10132	0.9
161.13243	0.5
163.11240	0.4
175.14864	0.3
179.14328	0.3
183.08105	0.4
184.07330	0.4
189.11188	0.4
201.09152	0.9
241.19644	0.2
249.09311	0.2
249.12727	0.3
259.20691	0.4
277.21606	2.6
279.10172	0.4
295.13254	2.6
295.22717	0.4
302.66519	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.3
55.05500	0.4
57.07077	0.9
59.65723	0.2
65.03913	0.2
67.05492	0.7
69.07059	0.4
70.75725	0.4
71.08631	1.0
79.05489	0.8
81.07068	0.9
82.07447	0.2
83.08637	0.2
88.07610	0.2
91.05464	0.5
93.07020	0.2
94.04184	1.7
94.15707	0.2
95.04968	0.2
95.08593	0.2
98.39309	0.2
102.98332	0.2
107.04929	0.5
107.08598	0.5
108.08955	0.2
109.06498	0.2
109.10153	0.3
115.07542	0.2
119.04887	0.2
122.03648	6.1
123.11699	0.2
137.05971	100.0
138.06308	1.9
141.12750	2.4
158.15437	1.2
170.15398	0.7
185.75299	0.2
236.10675	0.2
276.20364	0.6
277.21594	0.3
294.11246	0.4
294.20685	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1023
Annotation	Tuliposide B
Peak:m/z	Relative Intensity
55.05508	1.9
56.92535	1.0
57.03436	50.6
59.04990	2.4
61.02929	16.4
67.05502	2.1
69.03429	48.8
69.07027	2.1
69.50297	2.7
69.50704	7.3
71.01357	10.2
71.04991	1.6
73.02918	100.0
81.03396	3.8
81.07032	1.8
85.02905	62.7
86.09704	9.5
87.04463	5.2
91.05450	1.8
97.02892	65.5
98.03197	1.1
98.20776	2.5
99.04456	2.6
103.03929	1.5
105.07014	1.3
107.04929	1.1
109.02879	3.0
115.03930	64.7
123.04474	1.1
127.03916	15.6
132.23843	1.2
133.04958	19.3
145.04953	14.2
150.07730	2.0
157.06557	1.3
161.05951	1.1
163.03906	4.0
163.05983	4.0
166.20277	1.2
183.06494	1.1
191.06905	1.3
193.04971	2.5
223.06094	2.8
241.07054	3.0
303.48956	1.2
313.97562	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1024
Annotation	Tuliposide B
Peak:m/z	Relative Intensity
50.61918	1.9
53.03943	2.3
55.01876	3.4
55.05509	3.2
57.03439	36.3
61.02937	9.9
67.05504	2.6
69.03428	60.4
70.17797	4.2
70.18176	8.3
71.01354	7.9
71.04997	2.8
73.02918	63.8
79.05486	2.4
81.03426	10.1
81.07046	6.8
83.04987	3.9
85.02906	52.2
87.04472	8.3
91.05485	3.0
93.07021	4.2
95.08605	7.4
97.02893	38.5
98.37322	2.1
99.04452	4.0
103.03985	3.2
107.08594	2.2
109.02879	5.1
109.10166	4.2
111.04443	5.7
115.03931	44.9
121.02859	5.9
121.10152	2.5
123.11677	2.4
127.03910	16.1
129.57176	2.0
133.04971	16.2
135.04465	3.7
145.04951	14.8
147.04410	2.6
151.03961	2.5
163.03897	12.9
163.06017	20.3
163.07327	2.2
163.07805	1.9
178.07727	3.0
181.10483	2.0
194.07359	4.6
194.09145	5.6
207.07956	2.7
220.08426	5.7
220.11252	2.7
222.08644	3.8
236.10628	5.2
237.09042	3.9
237.11073	27.4
239.10579	2.8
241.07076	14.1
248.07884	7.5
250.08275	3.5
251.09540	2.6
252.07576	3.5
252.09851	6.2
263.09491	3.3
265.10718	14.5
267.10019	3.0
278.09076	4.4
278.11853	7.5
280.09229	10.0
295.11826	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.2066
Annotation	DESMETHYLDIHYDROCAPSAICIN
Peak:m/z	Relative Intensity
54.79080	0.2
57.07068	0.6
57.50702	0.2
59.04997	0.2
64.52911	0.1
65.03941	0.2
66.04721	0.2
67.05499	0.5
69.07068	0.3
71.08639	0.5
71.12164	0.5
72.02105	0.2
79.05498	0.7
79.36887	0.2
81.07059	1.8
91.05466	0.4
93.07068	0.3
94.04181	1.6
95.08596	0.3
107.08592	0.2
108.08907	0.2
109.06532	0.3
109.10161	0.5
122.03645	6.1
123.11717	1.7
124.38315	0.2
137.05975	100.0
138.06313	1.3
149.24054	0.2
158.15414	1.5
170.15417	2.4
184.07365	0.2
222.08423	0.5
242.26501	0.2
276.20407	0.4
294.20828	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.1122
Annotation	N-Formylanonaine
Peak:m/z	Relative Intensity
55.05479	0.6
58.04279	0.6
67.05485	0.9
69.07050	2.1
71.62910	0.8
72.04508	2.2
79.05492	0.7
81.07053	1.8
91.05487	1.0
93.07028	0.9
95.08582	0.9
101.59836	0.6
105.06997	1.3
106.76455	0.7
107.08575	1.0
109.10132	0.8
121.12316	0.8
147.04378	2.3
148.04706	0.8
165.06920	0.8
167.66760	0.6
178.07751	2.3
184.07396	0.9
189.06984	1.5
190.07765	3.9
191.08559	34.7
192.08905	2.2
193.10115	2.5
197.07278	1.4
202.07755	2.7
203.08609	4.6
207.07988	1.1
218.09665	0.9
219.08057	34.2
220.08322	1.6
221.09659	1.6
229.07596	1.8
231.08119	1.9
236.10684	4.1
249.09114	100.0
250.09425	4.5
264.10208	2.1
277.08301	0.9
294.07877	1.4
294.11203	12.5
294.21426	0.9
295.11581	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2837
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59116	1.1
53.03951	1.6
55.01870	1.5
55.05509	30.3
56.96549	3.1
57.03427	3.4
57.07077	14.6
67.05505	38.8
69.03414	3.4
69.07067	60.3
71.04983	2.7
71.08620	4.1
71.59307	2.4
76.00120	1.4
77.20492	1.3
79.05488	13.9
81.03399	3.0
81.07058	100.0
82.68828	1.2
83.04979	3.0
83.08143	2.0
83.08620	35.4
85.02894	2.0
85.06541	40.9
85.10195	2.5
91.05458	7.1
93.07044	21.2
95.04979	2.9
95.08608	84.9
97.06518	3.8
97.10172	17.8
98.98477	1.7
99.08099	9.8
105.07009	6.5
107.04935	1.8
107.08600	17.0
109.02877	2.4
109.06498	3.0
109.10155	54.8
111.04420	1.5
111.08080	4.2
111.11715	9.1
113.09631	3.5
116.98657	1.4
117.06976	2.1
119.04928	4.6
119.08577	5.5
121.10152	11.1
123.08067	2.2
123.11703	28.7
125.09620	3.1
125.13293	3.1
131.04921	4.2
131.08598	2.8
133.10091	3.0
134.99684	1.3
135.11674	10.2
137.13255	13.2
139.11183	2.1
139.14845	1.3
145.10136	1.9
147.04411	20.8
147.08070	1.5
147.11674	3.0
149.09641	1.9
149.13234	12.0
151.14819	12.7
159.11656	1.9
161.69142	1.2
163.03842	1.2
163.14803	5.9
165.16420	4.1
177.16399	2.6
179.17984	1.7
183.17279	1.2
205.19505	2.4
219.21011	1.9
223.20580	1.6
250.70856	1.4
257.18964	1.6
275.20059	9.4
275.27420	7.4
293.21301	8.8
293.28375	46.3
294.11200	3.1
294.21722	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2837
Annotation	SCHEMBL8161733
Peak:m/z	Relative Intensity
53.03943	1.7
55.01891	0.8
55.05509	17.7
56.96561	1.4
57.03445	0.8
57.07069	9.5
57.52003	0.6
59.04984	0.7
65.03947	0.7
67.05501	27.4
67.47213	0.5
69.03437	1.2
69.07064	35.2
69.48779	2.7
69.49207	2.9
71.04980	1.6
71.08640	3.9
72.58711	0.5
75.78747	0.5
76.13093	0.6
79.05486	9.8
81.03410	1.5
81.07053	100.0
82.07390	1.1
82.44067	0.6
83.04988	1.1
83.08138	1.3
83.08613	18.4
85.02895	1.4
85.06546	10.9
85.10172	1.1
88.32197	0.5
91.05478	3.6
93.07038	11.3
95.04976	1.5
95.08601	76.4
96.08934	1.5
97.06510	1.1
97.10160	13.2
98.20760	0.9
98.97574	1.1
99.08080	8.0
103.05449	1.9
105.07005	2.0
107.05014	0.7
107.08588	12.3
109.02873	1.1
109.06509	0.7
109.10149	49.5
110.10522	0.7
111.08070	1.5
111.11720	8.1
113.09625	2.7
116.98609	1.9
119.04949	1.6
119.08587	0.8
121.06533	0.6
121.10142	7.7
123.11703	24.1
125.09620	1.8
125.13261	2.8
127.11179	0.7
128.06313	0.6
131.04935	6.3
133.10106	1.2
134.99677	1.6
135.11691	6.0
137.13240	10.8
139.11220	0.7
145.10097	1.0
147.04404	6.6
149.09607	1.0
149.13243	8.8
151.14793	9.3
153.00804	0.7
153.12781	1.0
155.14290	0.7
159.11632	0.9
163.14807	5.9
165.16403	4.9
167.14288	1.4
177.16412	2.9
179.17978	1.7
191.17932	1.7
193.19514	0.8
205.19522	1.9
215.14326	0.6
219.21040	2.4
223.20573	1.2
237.22238	0.7
240.25681	0.6
247.07335	0.6
265.08517	0.9
266.21146	0.9
275.19931	2.0
275.27274	6.0
293.03424	1.5
293.08020	1.5
293.14301	0.7
293.17270	2.4
293.21216	1.4
293.24985	1.4
293.28342	29.0
294.28653	1.2
311.04141	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2474
Annotation	Methyl alpha-Eleostearate
Peak:m/z	Relative Intensity
50.01260	0.5
53.03942	1.6
55.01875	0.9
55.05509	9.4
57.07073	1.7
57.24717	0.5
57.47391	0.4
59.04984	0.5
65.03934	3.0
67.05503	94.4
69.03404	0.5
69.07068	10.8
69.41560	0.5
71.08633	1.4
71.14556	0.6
76.90140	0.5
79.05490	15.6
80.73180	0.5
81.07055	100.0
83.04971	1.6
83.08618	6.6
85.06536	2.8
86.39738	0.5
88.37293	0.5
91.05479	5.5
93.06466	1.0
93.07039	13.9
95.04972	1.6
95.08605	84.0
96.08936	0.6
97.06522	1.8
97.10172	2.4
99.08096	1.2
101.05994	0.7
105.07050	4.7
107.04955	1.2
107.08590	9.4
109.06511	1.8
109.10154	31.9
111.08066	1.0
111.11739	0.6
115.07621	0.8
117.07014	2.5
119.08587	4.5
121.02856	1.8
121.10146	9.6
123.08058	2.2
123.11703	18.7
125.09613	0.8
131.08563	7.6
133.10133	4.0
135.08069	0.9
135.11693	7.5
137.09633	2.2
137.13246	10.3
141.09079	0.8
145.10127	4.5
147.11658	3.3
149.09645	2.5
149.13257	4.5
151.11215	2.9
151.14798	5.4
153.12769	0.7
153.84457	0.5
154.69507	0.5
155.10693	0.5
159.11728	3.9
161.13274	3.7
163.11212	2.3
163.14806	3.2
165.12778	1.8
165.16374	1.4
170.47151	0.5
171.04405	0.8
173.13277	7.5
175.14716	0.6
177.12796	3.2
177.16327	3.0
179.14258	1.4
181.12263	0.9
187.14877	3.9
191.14322	2.9
195.13788	1.2
201.16258	0.8
205.06551	0.5
205.15900	0.9
209.15382	1.9
210.80191	0.5
219.08092	1.1
219.21155	0.8
223.07457	0.7
223.16934	1.6
233.22693	0.9
237.18466	1.5
243.21092	8.3
247.07417	1.5
251.07111	2.3
259.23370	0.6
261.22153	8.3
263.17041	0.5
265.08572	1.2
275.20126	0.9
280.31204	0.5
293.08060	3.5
293.21249	1.4
293.24719	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	293.2476
Annotation	Methyl alpha-Eleostearate
Peak:m/z	Relative Intensity
51.22726	0.9
53.03923	1.5
55.05515	6.5
56.94398	1.2
57.07069	2.5
61.67831	1.0
65.03939	1.7
67.05505	66.6
68.76662	1.1
69.07070	10.9
69.96640	3.1
69.97031	2.4
74.93632	1.1
79.02456	1.1
79.05500	10.5
81.07056	100.0
83.04971	1.5
83.08606	8.5
85.06518	3.4
91.05463	3.8
93.07043	16.6
95.04976	1.3
95.08605	82.7
97.06507	2.3
97.10162	2.4
97.24795	1.1
99.08084	3.2
105.07005	3.2
107.08599	14.2
108.02823	1.1
109.10156	27.9
113.09644	1.5
115.07582	1.1
117.07014	3.5
119.08566	3.7
121.10156	9.2
123.08037	2.1
123.11687	13.6
125.09607	2.0
131.08522	8.1
133.10112	4.1
135.08099	1.6
135.11685	9.2
137.09564	1.6
137.13258	11.1
141.09091	1.8
144.16707	1.3
145.10075	4.3
147.11624	3.1
149.09615	4.3
149.13269	5.6
151.11130	2.1
151.14864	9.7
151.52261	1.1
159.11693	5.2
159.12936	1.1
161.13223	3.1
163.11211	4.3
163.14874	6.1
165.12784	1.8
165.16415	3.8
173.13272	7.1
176.35445	1.3
177.12767	4.2
177.16429	3.7
179.14296	1.6
187.14807	3.3
191.14331	4.0
205.15825	1.9
209.15311	2.4
219.20934	1.4
223.16887	4.2
233.22603	1.6
237.11241	1.7
237.18607	1.5
243.21072	7.7
251.07101	2.1
261.22095	9.5
264.94849	1.2
293.07858	1.6
293.21570	1.6
293.24725	49.8
293.28043	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.211
Annotation	12-OPDA
Peak:m/z	Relative Intensity
53.03844	0.8
53.04057	0.8
55.01737	1.6
55.02016	1.0
55.05364	5.0
55.05671	4.2
56.50253	0.5
57.03302	1.0
57.03586	1.0
57.06941	1.1
57.07225	0.9
65.03838	0.8
65.68925	0.5
66.58018	0.5
67.05346	15.1
67.05750	7.4
69.03284	1.1
69.03667	1.0
69.06908	13.1
69.07330	5.9
69.97956	1.3
69.98354	1.2
71.04856	1.2
79.05322	11.4
79.05841	3.4
81.03280	0.9
81.06884	20.8
81.07417	5.8
81.07722	1.0
83.04805	5.3
83.05363	1.5
83.08450	3.1
83.08981	1.2
85.06413	1.1
91.05304	11.8
91.05940	2.5
93.06862	18.0
93.07519	3.4
95.04784	6.9
95.05454	1.3
95.08430	13.9
95.09109	2.6
95.51003	0.5
97.06348	2.3
97.10004	1.9
97.10561	0.8
98.20803	0.9
105.06846	17.2
105.07624	2.5
106.07253	0.5
107.04772	4.8
107.05552	0.7
107.08413	10.4
107.09195	1.3
109.06332	7.1
109.09974	6.6
111.07943	0.8
117.06831	4.0
117.23740	0.5
119.04795	0.5
119.08395	10.4
121.06322	7.0
121.09954	6.0
123.07877	3.2
123.11533	3.0
125.09503	0.9
129.06914	1.0
131.08377	10.5
131.09418	0.7
133.06294	1.7
133.09938	13.6
135.07870	2.7
135.11676	4.0
137.09599	2.7
141.06850	0.8
142.07579	0.5
143.08559	2.7
145.06380	0.8
145.10133	8.8
145.11169	0.5
145.22815	0.5
147.04233	1.8
147.07848	1.7
147.11688	9.2
149.09619	4.2
149.13235	3.6
151.11185	5.9
153.09027	0.6
155.08444	1.2
157.09946	2.3
159.07948	1.2
159.11696	5.1
161.09460	1.8
161.13268	2.6
163.11145	4.0
163.14638	0.6
165.12637	0.7
165.65544	0.5
169.10031	1.0
171.11552	1.5
173.09450	1.7
173.13295	3.1
175.11040	2.1
175.14700	0.8
177.12610	2.0
179.14178	0.6
183.11554	1.8
185.13176	1.1
187.11050	1.7
187.14697	1.3
189.12683	0.6
191.14182	1.8
197.13145	1.3
199.14746	0.6
201.12741	2.5
201.16344	0.6
203.14243	0.6
205.15746	0.6
205.19350	0.6
207.13705	2.2
215.14227	1.5
215.17952	1.4
217.15643	0.6
219.13770	3.5
229.19496	2.2
231.17393	1.2
233.15341	0.7
233.18834	0.6
235.16629	0.5
237.14784	1.7
239.17984	2.7
247.20569	3.0
257.19012	13.5
275.20068	100.0
276.20398	2.8
293.21112	33.5
294.11420	0.7
294.21371	1.1
307.11108	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2111
Annotation	12-OPDA
Peak:m/z	Relative Intensity
53.03941	3.8
55.01870	11.6
55.05264	3.8
55.05510	55.1
57.03429	3.2
57.07065	2.7
65.03921	2.2
67.05167	3.1
67.05502	44.0
69.03413	2.9
69.07067	12.1
69.92657	7.7
69.93069	4.1
71.04980	3.4
79.05492	90.5
81.03407	3.4
81.07056	32.9
83.04971	21.2
83.08611	16.6
85.06536	3.1
91.05486	34.5
91.47630	1.8
93.07042	44.9
95.04990	10.3
95.08607	15.0
97.06551	2.5
97.10175	26.0
105.07027	31.9
107.04273	3.8
107.04954	41.6
107.08591	71.9
109.06503	3.1
109.10147	16.7
111.08073	4.1
117.07015	12.4
119.08578	26.1
121.06482	2.4
121.10133	20.1
123.08083	2.1
123.11700	7.2
125.09636	29.0
131.08540	16.6
133.10127	22.2
135.08018	8.8
135.11670	5.7
143.08531	2.3
145.10120	9.8
147.11687	18.9
149.09613	79.4
151.11148	4.0
153.09090	6.4
157.10120	2.6
159.11655	7.8
161.13257	6.9
163.11125	3.1
163.14867	3.9
167.10576	2.3
169.12199	4.5
170.59557	2.0
171.10176	3.7
171.11621	2.7
173.11867	3.9
173.13255	5.4
187.11238	3.4
187.13260	4.0
189.11191	23.8
191.14317	4.0
209.15341	7.1
229.19505	11.0
237.11279	3.4
239.17932	4.2
247.20512	5.4
257.19025	21.1
275.20065	100.0
276.20554	4.1
293.21088	11.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2111
Annotation	12-OPDA
Peak:m/z	Relative Intensity
52.86526	1.8
53.03944	2.9
55.01867	8.1
55.05510	74.1
57.03440	6.7
57.07067	4.8
59.04985	2.5
67.05505	37.1
69.03425	6.6
69.07071	22.3
69.97926	10.1
69.98339	3.7
72.59233	1.9
74.27504	1.7
75.00568	1.9
79.05495	34.5
81.07061	39.2
83.04981	8.2
83.08617	49.4
83.44350	2.2
85.06554	5.0
91.05477	27.0
93.07049	21.5
95.04973	5.8
95.08609	17.0
97.06516	4.0
97.10172	100.0
101.09663	3.3
101.92701	2.1
105.07018	14.1
107.04974	2.7
107.08599	37.2
109.06533	5.8
109.10152	13.7
111.08089	3.7
117.07011	12.8
119.04955	2.7
119.08551	9.5
121.10133	11.9
123.08076	2.8
123.11704	3.5
125.09628	84.4
129.07005	2.8
131.08578	19.7
133.10130	13.6
135.08046	8.5
135.11678	6.1
137.09608	2.4
139.11151	1.9
143.10687	7.4
145.10109	6.2
147.04396	13.0
147.11682	5.5
149.09621	2.4
149.58557	1.8
151.11169	3.6
153.09145	5.7
155.08475	2.3
157.10159	2.4
159.11742	5.0
161.13292	2.6
163.11230	2.4
171.10205	4.6
173.11690	2.1
173.13307	3.0
181.12207	4.6
185.13283	3.2
189.11218	86.5
189.12927	4.6
197.07318	4.4
201.16371	4.6
239.17976	3.4
241.18283	2.0
257.19031	4.4
275.20007	40.9
293.21143	45.1
293.24359	3.9
294.10611	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	293.2109
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
50.54280	1.0
53.03936	4.1
55.01868	12.1
55.05510	26.2
57.03421	4.2
57.07061	3.7
65.03947	1.6
67.05501	41.9
69.03417	2.4
69.07064	30.0
69.90736	6.5
71.04973	5.0
71.08634	1.6
78.40961	1.1
79.05489	38.7
81.03415	8.7
81.07052	83.1
83.04975	5.0
83.08617	18.2
85.02882	1.6
85.06537	4.8
91.05475	28.6
93.06467	2.3
93.07039	35.3
95.04963	12.8
95.08601	52.5
97.06532	18.6
97.10167	11.8
98.97574	1.8
99.08067	2.9
103.05444	1.5
105.07027	32.9
107.04954	9.3
107.08588	42.8
109.02880	1.1
109.06509	14.2
109.10147	25.6
111.08078	4.5
111.11688	1.4
113.09666	1.5
117.07011	10.5
119.04939	2.5
119.08573	23.0
119.81096	1.0
121.06526	6.0
121.09309	1.6
121.10140	20.2
122.12679	0.9
123.08075	6.2
123.11711	10.4
125.09623	8.5
125.13246	1.1
128.06216	1.2
129.06999	3.1
131.04932	2.3
131.08568	14.0
133.06487	1.5
133.10118	23.3
134.99638	1.0
135.08032	7.1
135.11673	9.3
136.03894	0.9
137.09607	7.4
137.13266	3.8
139.11182	1.2
143.08563	3.2
145.06488	2.4
145.10115	12.9
147.04388	9.3
147.08073	1.5
147.11679	14.0
149.09592	14.5
149.13239	5.6
151.11183	5.2
151.14786	2.7
155.08553	1.9
157.10197	2.1
159.11662	8.5
161.09543	1.5
161.13240	3.8
163.11140	9.6
163.14828	1.9
165.09117	3.3
165.12772	3.6
165.84201	0.9
169.10138	3.7
171.11656	3.2
173.13266	5.9
175.11197	2.6
175.14735	1.3
177.12730	2.5
179.14284	1.6
183.11694	2.3
187.11218	2.5
187.14801	1.8
189.11168	4.4
189.12741	1.6
191.14243	1.5
195.13629	1.2
197.13271	2.3
201.16356	1.2
209.88187	1.2
215.17963	1.8
229.19527	4.2
233.15279	1.3
235.16768	1.3
239.17964	7.2
247.20595	6.8
257.18967	14.8
264.14783	1.8
265.21704	1.3
275.20053	100.0
276.20337	2.0
293.17764	2.5
293.21106	37.2
293.28217	8.0
294.71005	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.211
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03940	4.2
55.01876	10.8
55.05269	3.4
55.05514	39.6
57.03455	2.8
57.07065	3.6
67.05173	2.9
67.05508	43.3
69.07071	21.5
70.31332	5.9
70.31744	2.8
71.04986	3.3
79.05061	3.7
79.05498	49.6
81.03418	5.8
81.07056	37.8
83.04987	6.6
83.08617	18.9
85.06535	2.5
91.05485	33.2
93.07042	33.8
95.04982	18.6
95.08604	34.0
97.06542	14.1
97.10171	22.3
99.08109	2.4
105.07021	39.9
107.04973	10.4
107.08591	90.2
107.45135	1.8
109.06516	7.6
109.10136	17.6
110.73330	2.0
111.08082	4.2
117.07008	6.7
119.08588	27.0
121.06507	4.0
121.10134	23.1
123.08014	3.3
123.11703	5.1
125.09649	19.1
126.88304	2.3
131.08574	14.8
133.10117	27.7
135.08041	5.8
135.11678	6.9
137.05980	9.8
137.09613	9.7
139.11137	4.2
143.08528	2.6
145.10103	16.0
147.04376	5.2
147.07997	2.8
147.11676	17.7
149.09589	13.5
149.13260	3.6
151.11200	4.2
155.10556	3.2
157.10149	3.6
159.11682	8.3
161.13196	4.9
163.11154	7.0
165.09013	2.2
165.12740	2.8
169.10152	3.3
171.11746	3.2
173.13243	6.0
175.11224	2.4
177.12675	3.9
181.12367	2.1
183.11639	4.3
189.11246	17.6
189.12740	3.2
191.14317	2.6
203.12700	2.9
223.13223	4.1
229.19449	2.6
239.18016	5.9
247.20671	2.6
257.19012	11.9
275.20065	100.0
276.20428	4.1
293.21106	35.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.211
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03925	2.7
55.01864	6.7
55.05509	13.4
57.03230	1.6
57.03438	18.3
67.05502	28.0
67.15845	1.6
67.25027	1.9
69.07065	19.4
69.52235	14.8
71.05006	2.1
78.69522	1.7
79.05492	41.0
81.03432	3.1
81.07053	29.9
83.04979	1.8
83.08613	8.8
85.06532	6.2
91.05476	34.7
93.07041	49.7
95.04964	10.8
95.08592	20.0
97.06527	10.9
97.10175	3.6
99.08071	2.9
105.07024	41.2
107.04915	4.2
107.08593	37.1
109.06509	8.1
109.10147	6.1
111.08060	3.0
117.07000	14.4
119.08584	33.2
121.06448	3.9
121.10143	15.3
123.08067	3.5
125.09656	5.1
129.07028	6.0
131.08548	15.7
133.10112	21.0
135.08092	2.4
135.11717	4.0
137.09618	3.3
143.08565	7.5
145.10104	17.7
147.11684	20.3
149.09642	9.9
149.13284	2.3
151.11183	2.7
157.10078	5.5
159.11699	16.7
161.09659	2.7
161.13277	9.9
163.11226	5.5
169.10091	3.0
171.11679	2.6
173.13281	9.2
175.11189	2.9
175.14880	4.2
177.05441	3.3
177.12738	3.0
178.06192	3.3
181.14833	2.1
183.11685	2.2
185.13229	21.8
187.11165	3.5
189.11267	3.4
191.14366	2.5
197.13176	2.4
201.16382	4.6
203.14305	18.5
219.17416	29.1
221.15382	24.6
229.19498	2.5
233.11684	5.3
239.17885	9.4
257.19009	15.9
275.20053	100.0
276.20383	5.4
293.21063	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	293.2109
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
52.31123	1.0
53.03930	1.9
55.01629	1.1
55.01871	16.1
55.05506	18.6
56.96543	1.8
57.03423	1.1
57.07059	1.6
59.04985	1.2
60.19233	1.0
65.03947	1.6
67.05502	32.3
69.03408	2.5
69.06720	1.4
69.07064	18.0
71.04968	3.4
71.59163	1.8
78.71312	1.1
79.05489	31.6
81.03411	5.5
81.07049	37.1
83.04971	5.9
83.08616	10.5
85.06525	2.7
91.05469	21.5
93.07033	26.6
95.04958	7.3
95.08602	22.8
97.06524	22.5
97.10163	10.7
99.08092	1.4
105.07027	29.1
107.04967	6.8
107.08587	54.9
109.06499	8.4
109.10153	14.6
111.08051	2.6
117.06989	7.2
119.04904	1.7
119.07796	1.3
119.08578	17.7
121.06500	3.3
121.10140	14.4
123.04408	1.1
123.08062	4.7
123.11687	6.0
125.09616	10.7
129.06984	1.8
131.08562	12.1
131.38559	1.1
133.06436	1.0
133.10126	18.8
135.08064	4.8
135.11665	7.6
137.09579	3.6
137.13232	1.5
141.06892	1.1
143.08537	2.0
145.06474	1.4
145.10136	13.1
147.04382	4.3
147.11668	10.7
149.09604	17.2
149.13217	3.8
151.11150	5.6
157.10089	1.7
159.11679	7.3
161.09648	1.7
161.13260	5.3
163.11145	7.3
165.09100	4.9
169.10114	1.8
171.11632	3.3
173.13286	5.8
175.11122	2.6
177.12733	3.1
179.14377	1.4
181.12267	1.3
183.11748	1.6
185.13274	1.2
187.11176	2.4
189.11232	8.3
191.14279	1.4
197.13240	1.7
205.12119	1.1
207.13965	1.1
218.41194	1.1
219.13484	1.2
219.17468	1.2
229.19528	5.5
239.17880	4.9
243.20889	1.3
247.20587	7.5
257.19028	13.0
275.20044	100.0
276.20233	5.0
276.75916	1.0
293.17767	1.5
293.21112	21.3
293.24442	1.2
293.28220	1.6
294.10919	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1231
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03916	1.8
55.01868	1.9
55.05509	7.1
57.03231	1.0
57.03440	12.6
59.04982	1.7
61.02915	2.2
63.66702	1.3
67.05508	13.7
69.03432	10.7
69.07047	2.1
70.06589	1.6
70.33616	1.1
71.01350	4.7
71.04993	33.4
71.58587	1.6
73.02901	4.5
75.04483	9.5
79.05491	3.4
81.03412	4.4
81.07060	15.0
83.04980	26.8
85.02905	100.0
86.03206	1.8
87.04448	2.3
91.05479	7.1
93.07035	4.1
93.39831	1.1
95.04970	10.1
95.08624	8.5
97.02880	4.7
97.06524	2.1
99.04446	4.4
101.05999	2.5
105.07053	6.0
107.04943	2.3
107.08612	3.1
109.02856	4.6
109.06514	3.6
109.10148	5.2
111.04443	24.8
113.06024	3.4
117.06988	1.9
119.08578	4.5
121.06490	3.7
121.10131	3.8
123.04432	5.9
123.11698	3.0
124.04735	1.8
125.02335	1.5
125.06011	2.6
127.03905	4.5
129.04614	2.3
129.05484	25.6
129.06993	1.6
131.08551	4.9
133.06454	1.3
133.10136	2.5
135.04414	1.7
137.05997	4.0
137.13210	1.7
139.03894	5.2
140.04231	2.1
141.04359	2.0
141.05440	2.0
143.08476	1.6
145.06432	1.9
145.10115	3.0
147.04338	2.8
147.06517	13.0
147.08017	3.2
149.09619	9.3
153.05438	13.7
157.04936	2.3
159.06552	1.4
159.08031	1.6
161.06003	1.6
161.09705	2.2
165.05482	1.9
171.06522	7.9
187.04359	1.4
187.11310	1.3
187.54643	2.4
201.07616	5.1
213.07518	2.9
221.08015	1.5
239.09145	9.9
239.68274	1.3
257.10214	5.5
261.22015	1.5
267.68353	1.3
275.11282	4.2
289.51874	1.3
293.13959	4.0
293.24753	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	293.1231
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.6
55.05519	5.7
57.03437	10.8
58.15240	0.9
59.01033	1.0
59.04976	1.3
61.02917	1.6
65.03922	1.2
67.01842	1.8
67.05502	2.5
69.03424	7.7
69.35632	4.2
69.36053	7.8
71.01362	3.9
71.04991	34.2
73.02926	5.2
75.04482	8.5
79.05489	1.5
81.03410	2.1
81.07058	2.1
83.04980	25.7
85.02904	89.7
85.24097	1.0
87.04478	2.0
91.05484	10.3
95.04977	6.6
95.08589	1.5
97.02879	2.1
97.06526	2.4
99.04449	4.3
101.06003	2.3
105.06982	1.2
107.04967	3.6
109.02882	3.0
109.06503	1.3
111.04440	23.4
113.02351	1.7
113.06003	3.9
119.04943	22.6
120.05287	1.7
121.06494	2.9
123.04402	1.7
127.03924	3.0
129.05479	28.2
137.06026	1.5
139.03870	1.6
147.04411	100.0
147.06497	10.1
148.04817	2.9
151.07509	1.4
153.05469	12.2
157.04939	2.9
159.06558	1.7
165.05528	1.5
171.06503	5.9
180.36790	1.1
183.06563	2.0
195.06494	1.3
201.05766	1.3
201.07497	5.3
213.07596	2.9
218.07269	1.3
219.07941	1.1
239.09148	7.6
257.10229	3.1
265.08713	1.2
274.21768	1.1
275.11545	5.0
278.09302	1.5
293.07822	2.4
293.11993	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	293.211
Annotation	9-OxoOTrE
Peak:m/z	Relative Intensity
51.53414	1.0
53.03936	2.3
54.04519	0.9
55.01872	14.7
55.05508	19.6
57.03434	1.2
57.07084	1.6
61.50296	0.9
65.03939	2.4
67.05503	24.8
69.03408	3.0
69.07067	15.9
70.60175	1.0
71.04987	2.8
71.59081	1.2
79.05492	38.6
81.03412	4.2
81.07054	23.9
81.55415	1.1
83.04971	5.8
83.08622	13.3
85.02914	1.0
85.06538	1.3
91.05480	26.5
93.07046	20.6
95.04939	6.1
95.08598	14.5
97.06527	19.6
97.10152	17.7
105.07029	28.9
107.04958	7.9
107.08592	100.0
109.06513	7.6
109.10175	7.5
111.08091	1.7
117.07011	6.3
119.04976	1.1
119.06096	1.2
119.08579	12.7
121.06506	2.3
121.10129	7.3
123.08051	3.1
123.11715	3.3
125.09633	16.6
126.00587	1.2
127.85177	0.9
129.07034	1.7
131.08536	8.1
133.09213	1.7
133.10139	15.3
135.08064	4.6
135.11671	5.2
137.09622	2.0
141.07002	1.1
143.10693	1.3
145.10109	10.5
147.04410	4.9
147.11710	10.1
149.09624	13.2
149.13281	1.5
151.11183	5.7
153.09119	1.6
157.10124	2.2
159.11690	7.9
161.13257	4.4
163.11192	5.9
165.09113	3.3
171.10359	1.1
171.11705	3.5
173.11899	1.5
173.13293	4.2
175.11205	1.3
177.12767	2.8
179.14330	1.7
181.12215	2.5
183.11711	2.0
184.32358	1.1
187.11172	2.7
187.14748	1.6
189.11198	16.1
191.14284	1.2
197.13290	2.7
215.17972	1.3
229.19539	3.6
233.15373	1.1
239.17912	5.2
247.20605	2.4
257.19019	12.5
275.20053	93.7
276.20383	2.4
293.21091	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	293.1228
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45140	0.6
53.03926	0.8
55.01860	1.3
55.05515	4.3
57.03436	8.5
61.02911	1.6
65.03920	1.0
67.01856	0.7
67.05495	1.7
69.03110	0.9
69.03429	6.9
69.07053	0.9
69.53267	0.6
71.01360	3.4
71.04990	22.7
71.05767	2.0
73.02908	2.1
75.04476	5.3
75.36984	0.7
79.05466	1.0
80.89692	0.7
81.03402	1.9
81.07035	0.8
83.04976	20.3
84.05264	1.0
85.02901	63.8
86.03229	0.9
86.06047	0.7
87.04463	1.5
91.05479	9.3
95.04979	3.7
97.02862	1.2
97.06532	1.3
99.04463	3.7
101.06000	2.1
105.06983	1.0
107.04945	3.0
109.02871	3.4
109.06467	1.0
111.04443	16.8
113.06006	3.4
117.05476	0.7
119.04944	21.9
121.06499	1.5
123.04467	1.8
123.08098	0.9
125.05947	1.3
127.03915	2.0
129.05479	17.3
131.04941	0.9
137.05986	1.4
139.03888	0.9
139.34161	0.7
147.04405	100.0
147.06496	8.7
148.04744	3.2
149.06055	1.3
153.05444	9.1
157.04979	2.1
159.06555	2.2
165.05565	0.6
171.06516	6.1
179.07059	0.7
183.06578	1.9
194.90382	0.8
195.06569	0.9
201.07570	3.9
203.08563	0.8
204.68456	0.7
213.07594	1.7
218.07256	1.2
235.07555	0.9
239.09142	4.6
247.07730	0.8
250.06282	1.2
257.10214	2.9
261.09161	1.2
265.08456	1.1
275.08737	1.3
275.11496	3.2
278.05670	0.9
278.09387	1.7
293.07904	2.1
293.12344	5.2
294.08972	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1231
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03916	1.8
55.01868	1.9
55.05509	7.1
57.03231	1.0
57.03440	12.6
59.04982	1.7
61.02915	2.2
63.66702	1.3
67.05508	13.7
69.03432	10.7
69.07047	2.1
70.06589	1.6
70.33616	1.1
71.01350	4.7
71.04993	33.4
71.58587	1.6
73.02901	4.5
75.04483	9.5
79.05491	3.4
81.03412	4.4
81.07060	15.0
83.04980	26.8
85.02905	100.0
86.03206	1.8
87.04448	2.3
91.05479	7.1
93.07035	4.1
93.39831	1.1
95.04970	10.1
95.08624	8.5
97.02880	4.7
97.06524	2.1
99.04446	4.4
101.05999	2.5
105.07053	6.0
107.04943	2.3
107.08612	3.1
109.02856	4.6
109.06514	3.6
109.10148	5.2
111.04443	24.8
113.06024	3.4
117.06988	1.9
119.08578	4.5
121.06490	3.7
121.10131	3.8
123.04432	5.9
123.11698	3.0
124.04735	1.8
125.02335	1.5
125.06011	2.6
127.03905	4.5
129.04614	2.3
129.05484	25.6
129.06993	1.6
131.08551	4.9
133.06454	1.3
133.10136	2.5
135.04414	1.7
137.05997	4.0
137.13210	1.7
139.03894	5.2
140.04231	2.1
141.04359	2.0
141.05440	2.0
143.08476	1.6
145.06432	1.9
145.10115	3.0
147.04338	2.8
147.06517	13.0
147.08017	3.2
149.09619	9.3
153.05438	13.7
157.04936	2.3
159.06552	1.4
159.08031	1.6
161.06003	1.6
161.09705	2.2
165.05482	1.9
171.06522	7.9
187.04359	1.4
187.11310	1.3
187.54643	2.4
201.07616	5.1
213.07518	2.9
221.08015	1.5
239.09145	9.9
239.68274	1.3
257.10214	5.5
261.22015	1.5
267.68353	1.3
275.11282	4.2
289.51874	1.3
293.13959	4.0
293.24753	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	293.0632
Annotation	Unknow
Peak:m/z	Relative Intensity
71.44996	1.5
78.35565	1.2
98.97556	1.5
113.48087	0.9
119.01870	1.4
143.01903	2.5
161.02933	5.7
173.02916	1.4
203.04022	1.6
228.23166	1.0
235.44139	0.9
249.48877	1.0
269.05453	1.5
275.06030	1.1
293.06323	100.0
294.06622	2.4
311.06522	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1018
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	0.8
57.03418	0.7
59.94988	0.4
65.03931	0.5
67.05491	0.6
69.03439	1.8
71.01340	0.5
71.04991	2.5
71.18372	0.8
71.18698	0.4
81.07037	0.4
83.04984	3.2
85.02903	5.1
91.05473	7.6
93.07053	0.3
107.04935	2.6
109.84184	0.4
111.04424	3.0
119.04937	23.5
122.91148	0.4
129.05478	1.2
131.04924	0.8
133.06471	0.5
140.22432	0.3
145.27574	0.5
147.04401	100.0
148.04739	1.1
149.05927	0.4
153.05515	0.4
158.93938	0.4
161.05931	0.5
201.05475	0.7
217.05022	0.5
222.06682	0.5
250.06146	0.5
261.08862	0.5
265.08493	0.6
275.09094	1.7
277.31042	0.4
278.09088	0.4
293.07877	1.1
293.10718	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1019
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32934	0.2
53.59888	0.2
55.05495	0.8
57.03437	0.4
62.93601	0.2
65.03948	0.5
67.05501	0.9
69.03430	1.8
69.07053	0.4
70.01351	1.0
71.04992	0.7
75.04491	0.3
79.05506	0.3
81.03416	0.5
81.07043	1.0
83.04987	2.9
85.02901	2.5
88.90710	0.3
91.05479	8.1
93.07022	0.4
94.41229	0.3
95.04990	0.4
95.08617	0.9
98.20891	0.4
105.07094	0.3
107.04958	1.3
109.10140	0.6
111.04464	2.3
117.07062	0.3
119.04944	21.6
119.08604	0.3
121.10133	0.4
128.62892	0.3
129.05507	0.7
133.06476	0.3
147.04408	100.0
148.04738	1.1
161.05963	0.5
165.05479	1.0
171.04419	0.3
179.27916	0.3
189.05537	1.1
201.05441	0.7
217.05038	0.4
275.09039	1.8
283.98953	0.3
286.97464	0.3
293.10117	3.3
314.33820	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1018
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57661	0.3
55.05509	0.8
57.03432	0.6
65.03930	0.5
67.05494	0.6
67.14685	0.2
69.03432	1.7
71.01352	0.3
71.04992	1.3
71.61772	0.3
75.04473	0.3
79.25732	0.2
81.03415	0.3
81.07050	0.7
83.04971	2.8
85.02905	3.1
88.75891	0.3
89.68539	0.2
91.05482	7.9
95.04978	0.4
95.08598	0.7
98.97583	0.3
99.04446	0.3
100.62805	0.2
106.26299	0.3
107.04953	2.5
109.02805	0.4
109.10146	0.4
111.04436	1.7
119.04941	21.7
127.03956	0.3
129.05508	0.6
131.04933	0.6
147.04408	100.0
147.25357	0.2
148.04744	0.9
153.05464	0.5
165.05446	0.9
169.06421	0.3
171.06631	0.3
189.05504	0.4
201.05516	0.8
218.07449	0.3
222.06873	0.2
247.07680	0.3
261.09106	0.6
275.09021	2.6
278.05759	0.3
293.07663	0.5
293.10315	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	291.268
Annotation	9-Geranyl-alpha-terpineol
Peak:m/z	Relative Intensity
53.03937	2.0
55.01860	2.0
55.05506	22.0
57.03427	1.0
57.07069	8.1
57.08697	0.8
65.03936	1.3
67.05501	31.3
69.03430	1.8
69.07066	39.8
70.01890	0.7
71.08633	2.7
71.14188	1.7
79.05486	22.3
81.03419	3.0
81.07051	100.0
82.07388	2.2
83.04986	2.3
83.08612	17.6
85.02910	1.5
85.06539	19.1
85.10190	1.4
91.05469	12.6
93.07039	47.2
95.04956	1.9
95.08601	86.9
96.08937	1.6
97.06548	1.0
97.10172	10.6
97.54525	0.8
99.08086	17.9
105.07023	14.6
105.07668	1.2
107.04971	1.7
107.08589	62.3
108.08858	1.2
109.02859	0.8
109.06528	0.8
109.10149	56.7
110.10496	0.8
111.08083	4.8
111.11712	4.9
113.09624	6.5
115.05389	1.1
117.03379	1.9
117.07047	1.0
119.04955	2.7
119.08559	14.9
121.10136	42.3
122.10482	0.8
123.04453	3.4
123.11701	29.1
125.09666	3.1
125.13309	1.1
127.03902	1.0
127.11193	2.1
131.08691	0.7
133.10124	10.8
135.04439	3.5
135.11681	32.6
135.12689	1.7
137.13232	11.0
139.03934	3.5
139.11232	2.2
139.26260	0.8
145.02843	1.7
147.04393	15.2
147.11690	9.6
149.13254	54.2
150.13618	0.9
151.14825	4.0
153.12764	1.4
161.05974	0.9
161.13249	9.6
163.03902	14.5
163.05205	1.0
163.14813	37.1
164.15211	1.1
165.05515	0.7
165.16470	1.0
167.14342	2.1
175.14845	5.9
177.16380	19.2
177.17802	1.3
178.16876	1.1
179.17993	1.7
181.15915	3.3
189.16458	2.6
191.17924	7.6
192.09264	0.9
195.17450	4.0
202.07745	7.2
203.08534	10.3
203.17941	5.5
204.09123	1.1
207.17525	2.1
209.19107	3.5
217.14056	0.8
217.19513	8.6
219.08131	2.8
219.21094	1.3
220.08890	3.5
221.09642	1.2
221.19116	3.0
230.07431	1.5
231.08035	14.4
231.21135	2.1
232.08731	4.1
233.22690	0.9
235.20509	5.4
247.07664	3.3
247.24431	1.1
248.08322	8.6
249.09189	1.1
258.06934	1.3
258.57874	1.6
259.07523	10.9
260.08334	9.9
261.05618	0.7
261.08942	1.9
263.10571	4.3
273.25763	12.2
275.07300	1.8
276.07770	10.0
277.08633	3.5
291.10242	49.1
291.26804	83.3
292.06149	1.0
292.07361	1.0
292.10733	9.6
292.27264	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	291.268
Annotation	Arachidonyl alcohol
Peak:m/z	Relative Intensity
53.03945	2.5
55.05509	22.5
56.25684	1.7
57.07080	9.9
67.05505	32.6
69.07064	48.9
69.69891	7.8
69.70303	3.2
71.08613	3.2
73.46728	1.8
79.05491	15.4
81.07055	100.0
83.08616	21.9
84.04524	4.1
85.04279	1.7
85.04825	3.0
85.06528	22.6
90.15371	1.8
91.05466	9.0
93.07037	47.9
95.04983	2.6
95.08601	89.1
97.10166	14.2
98.21548	1.8
99.08092	17.3
105.07027	15.9
107.08591	66.7
109.02870	1.9
109.10148	53.3
111.08017	4.1
111.11731	5.9
113.09636	5.5
119.04969	2.0
119.08548	14.2
121.10134	53.5
123.04478	3.1
123.11701	25.4
125.09640	3.7
127.11110	2.3
130.53935	1.7
133.10153	12.2
135.11697	38.1
137.13240	9.1
139.03918	4.1
147.04398	6.8
147.11639	10.8
149.13251	58.1
151.14842	1.9
161.13264	6.3
163.03912	7.9
163.14818	59.3
175.14795	5.1
177.16367	20.3
181.15875	3.4
189.16313	2.9
191.17990	10.9
195.17485	5.7
203.17940	7.4
209.19040	7.2
217.19489	7.9
221.19052	6.3
231.21126	2.5
235.20573	6.1
273.25711	12.4
291.08841	5.7
291.26819	89.9
292.27139	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	291.2681
Annotation	9-Geranyl-alpha-terpineol
Peak:m/z	Relative Intensity
51.42634	1.0
53.03947	2.2
55.01870	1.9
55.05260	1.5
55.05507	20.8
57.07072	6.5
67.05502	34.8
69.07069	34.2
70.04355	4.9
71.04985	1.8
71.08626	3.9
75.14694	1.1
79.05492	16.2
81.07055	100.0
82.07384	2.0
83.04952	1.5
83.08620	15.1
85.06538	22.1
91.05470	7.4
93.07043	44.2
95.04999	1.1
95.08606	82.4
96.08981	1.6
97.10165	9.8
99.08087	13.7
105.07021	15.0
106.98743	1.1
107.08593	57.5
108.08910	1.1
109.10158	56.1
111.08067	3.0
111.11724	5.6
113.09629	4.6
115.50927	1.1
117.03352	1.1
119.04925	1.2
119.08585	12.7
121.10145	40.3
121.11024	2.0
122.10509	1.0
123.04478	1.1
123.10831	1.3
123.11716	26.1
125.09621	3.6
127.11197	2.1
133.10136	10.7
135.10670	2.1
135.11685	32.9
137.13242	6.7
139.03801	1.5
139.11151	2.0
145.10159	1.2
147.04402	5.5
147.11674	8.6
149.13257	52.6
150.13638	1.3
151.14767	2.7
161.13257	9.3
163.03908	6.5
163.14819	34.8
165.16400	2.3
167.14310	1.8
175.14815	5.8
177.14992	1.4
177.16391	15.6
178.16740	1.1
181.15852	4.3
189.16402	2.6
191.03502	1.1
191.08505	2.2
191.17934	8.8
195.17480	3.6
202.07835	4.9
203.08569	9.4
203.17978	5.5
205.19652	1.4
207.17398	1.5
209.18954	4.9
214.90027	1.0
217.19545	7.1
219.08067	3.7
220.08797	2.9
221.18948	2.2
231.08034	11.2
232.08577	2.7
233.22643	1.3
235.20544	4.5
247.07504	2.3
247.24117	2.1
248.08255	7.4
249.08722	1.7
259.07556	10.5
260.08337	8.1
263.10730	3.3
273.25790	14.3
274.78430	1.3
276.07733	7.9
277.08563	3.2
291.10199	37.7
291.26819	79.4
292.10733	6.1
292.27173	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.268
Annotation	9-Geranyl-alpha-terpineol
Peak:m/z	Relative Intensity
53.03936	1.8
55.01851	2.3
55.05260	1.6
55.05507	21.1
57.03428	4.0
57.07082	10.1
65.03939	1.8
67.05180	2.5
67.05503	29.5
69.03418	1.9
69.07065	43.9
69.68427	8.3
69.68845	2.6
71.08603	2.7
73.52242	1.5
76.29935	1.3
79.05057	2.2
79.05485	22.1
81.03423	1.9
81.07053	100.0
82.07349	2.4
83.04961	3.8
83.08607	18.4
85.02898	2.5
85.06550	18.9
85.10175	1.7
87.01755	1.4
91.05476	12.4
93.06470	2.7
93.07039	46.7
95.04950	3.8
95.08604	86.8
97.10159	9.3
99.08092	14.7
102.33313	1.5
105.07028	16.3
107.04977	1.5
107.08594	63.0
109.06496	5.4
109.10152	55.0
110.10481	2.5
111.04479	1.4
111.08067	2.3
111.11715	4.6
113.09613	5.4
117.07016	2.3
119.04918	3.3
119.08590	15.8
121.10144	45.8
123.04425	9.1
123.08086	1.4
123.11710	26.6
125.09620	3.5
127.11187	2.1
129.06963	1.8
131.08583	3.8
133.06480	1.7
133.10124	10.3
135.04385	4.9
135.08064	6.4
135.11691	35.4
137.13216	9.3
139.03900	10.6
139.11203	2.2
145.02849	2.8
145.10098	2.4
147.04405	5.9
147.11693	10.5
149.13251	53.4
151.14792	4.8
161.09570	2.8
161.13261	7.0
163.03923	18.8
163.14816	41.9
165.05473	2.1
167.14401	2.0
175.14836	2.4
177.16405	15.1
181.15829	2.1
189.16399	4.1
191.17928	8.3
195.17473	3.3
203.17912	6.6
209.19035	4.6
217.05048	1.4
217.15916	2.2
217.19545	5.3
221.19037	4.9
231.13841	1.6
235.20583	2.6
240.34016	1.6
273.18448	3.4
273.25787	10.5
284.19751	1.4
291.06577	8.2
291.10022	3.9
291.16302	2.1
291.19586	10.8
291.26816	73.6
292.22617	1.8
292.27255	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	291.2316
Annotation	sterculynic acid
Peak:m/z	Relative Intensity
53.03928	3.2
55.05514	13.5
57.07055	2.9
57.30730	1.2
58.20470	1.4
65.03904	1.5
67.05173	2.2
67.05501	29.4
69.03432	1.5
69.07058	13.1
69.92712	4.9
69.93130	2.9
73.40379	1.3
79.05488	56.2
81.07055	35.8
83.04976	1.3
83.08618	8.8
85.06573	1.9
91.05482	23.7
93.07039	85.0
95.04982	6.5
95.08612	23.7
97.06512	3.0
97.10145	4.3
105.07021	15.2
107.08589	50.3
109.06526	2.0
109.10165	13.4
117.06999	5.1
119.08582	21.6
121.10135	43.6
123.11701	4.0
131.08548	4.9
133.10118	13.1
135.11688	49.9
135.12709	2.6
139.11174	1.5
145.10152	7.7
147.11667	10.4
149.09593	2.6
149.13261	24.5
157.10132	2.0
159.11700	7.7
161.13249	9.7
163.11121	2.5
163.14803	8.4
171.11649	3.7
175.14809	4.4
177.12711	3.2
185.13237	3.4
189.12680	2.9
199.14789	2.3
207.13684	1.7
213.16479	2.8
217.19414	2.0
231.21033	2.4
235.16946	1.9
241.19484	6.5
259.20499	11.6
291.23181	100.0
292.23526	5.2
302.72885	1.4
303.60553	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.2316
Annotation	sterculynic acid
Peak:m/z	Relative Intensity
52.36985	1.4
53.03918	3.9
53.29689	1.4
55.05502	14.9
57.07061	2.1
60.07069	1.6
65.03911	2.5
67.05168	2.9
67.05503	34.7
69.06768	1.5
69.07069	15.6
70.22510	3.4
70.22928	4.4
79.05489	66.0
80.66570	1.6
81.06580	2.4
81.07053	43.6
83.08598	9.0
85.06545	2.9
90.69154	1.4
91.05473	28.6
93.07037	100.0
95.04945	7.2
95.08598	32.7
97.06514	4.8
97.10149	4.3
105.07021	16.9
107.08591	52.5
109.06493	1.9
109.10158	15.2
111.11746	1.7
115.07572	2.2
117.06987	2.8
119.08571	15.6
121.10143	53.3
123.08041	3.1
123.11719	4.4
129.07060	2.0
131.08548	7.5
133.10127	14.7
135.11682	60.9
137.09601	2.3
139.11224	2.2
143.08543	2.8
145.10109	5.4
147.11690	13.3
149.09624	4.3
149.13237	35.8
151.11214	2.0
157.10088	1.9
159.11700	7.6
161.13211	9.0
163.11108	4.2
163.14822	11.3
167.33702	1.5
171.11650	3.3
173.13200	3.6
175.14792	5.4
177.12691	4.0
185.13235	6.5
199.14926	2.1
203.14273	3.3
209.15384	2.6
213.16321	2.2
217.19479	2.9
231.21188	2.1
235.16978	3.4
241.19522	6.9
249.18504	4.3
259.20514	12.1
259.37753	1.7
284.04730	1.5
291.23160	87.3
292.23792	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	291.2317
Annotation	sterculynic acid
Peak:m/z	Relative Intensity
53.03933	2.9
55.01860	1.1
55.05510	18.8
56.28846	0.7
56.97283	0.9
57.03425	0.8
57.07076	3.6
59.04991	0.6
67.05502	31.3
69.03413	0.9
69.07066	15.2
69.44867	7.6
71.04990	1.3
71.08628	1.3
73.06555	0.9
77.03897	1.3
77.76295	0.8
79.05489	51.6
81.07053	41.7
83.04963	1.9
83.08629	7.2
85.06522	4.1
91.05474	21.8
93.07040	85.2
95.04966	7.1
95.08604	35.0
97.06503	3.2
97.10143	5.1
98.21512	0.8
99.08086	1.7
103.05501	1.0
105.04480	1.0
105.07032	15.4
107.04925	1.1
107.08590	48.8
107.47312	0.8
109.05781	1.3
109.06505	10.5
109.10149	14.4
111.08030	0.8
113.84947	0.7
115.07608	1.0
117.06986	4.0
119.08566	13.9
121.06468	1.6
121.10138	42.1
122.10482	1.0
123.04412	1.0
123.08044	2.4
123.11703	3.2
125.09614	2.2
129.07002	1.3
131.08559	6.6
133.10130	14.0
135.08044	1.9
135.11682	45.3
137.09604	1.9
137.13213	0.8
139.03908	1.9
139.11171	1.2
143.08566	2.3
145.10107	5.0
147.11676	9.8
148.54170	0.9
149.09625	3.2
149.13249	32.0
151.11151	0.9
157.10095	2.6
159.11674	5.0
161.09651	1.8
161.13261	7.1
163.11182	3.4
163.14821	9.3
165.12744	6.0
171.11659	2.6
173.13223	3.0
175.11198	1.6
175.14812	5.6
175.39769	0.7
177.12714	2.7
177.16446	0.8
185.13295	4.9
189.12718	1.3
195.13776	1.4
199.14777	2.5
203.14366	1.5
209.15361	1.5
213.16284	1.6
215.17921	0.8
217.19533	1.8
221.15366	2.5
223.16901	1.0
231.17433	1.7
231.21034	1.1
235.16786	3.5
241.19489	5.6
249.18527	3.1
259.20569	8.4
291.23172	100.0
292.23480	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	291.1954
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
53.03929	6.2
55.01871	16.6
55.05508	12.1
57.03421	8.2
64.20621	2.2
65.03936	2.4
67.05506	27.3
69.03413	3.6
69.06719	2.7
69.07065	32.8
69.99355	5.2
69.99765	6.7
71.04962	2.7
73.92702	2.1
79.05489	31.0
81.03420	26.9
81.07062	30.4
81.22227	2.0
83.04974	13.0
83.08607	5.0
85.06538	3.2
91.05485	27.3
93.07043	28.2
94.07367	2.2
95.04988	12.8
95.08601	27.4
97.06519	7.9
97.10137	2.5
98.20876	2.3
104.10735	6.3
105.07024	20.4
107.04956	100.0
107.08597	21.0
109.06530	25.6
109.10137	7.6
115.05418	2.5
117.07010	8.8
119.04944	3.5
119.08560	14.9
120.90239	2.0
120.91055	2.6
121.06491	9.3
121.10118	7.0
123.04443	13.1
123.08015	5.4
129.07002	6.9
130.54074	2.7
131.08566	17.0
132.85098	2.0
133.06461	6.9
133.10088	9.7
133.10960	2.1
135.07133	2.6
135.08069	40.3
135.11670	3.3
137.09645	4.3
137.83644	2.2
139.03891	25.3
143.08548	6.8
145.10144	10.1
147.04378	6.6
147.08020	5.5
147.11693	3.9
149.09619	52.3
149.54878	3.0
157.10141	7.6
158.55344	3.6
159.11659	6.6
161.05888	2.2
161.09616	8.8
163.03909	6.5
163.11179	4.9
171.11664	2.2
172.95197	3.3
175.11195	7.1
177.12643	3.3
179.10675	3.1
185.13335	2.7
187.11093	2.6
189.12798	3.3
199.14825	2.9
217.12109	3.3
217.15843	6.7
222.65305	2.1
231.08026	3.3
235.13310	3.8
245.18893	4.8
248.08241	2.8
255.17474	3.6
270.65012	3.0
273.18469	20.9
291.09998	7.4
291.19498	98.1
291.22821	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	291.1953
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
53.03946	4.6
55.01868	5.0
55.05503	15.8
56.96550	11.2
57.03421	7.9
57.07067	3.0
57.62874	2.6
59.66347	2.8
67.05503	23.0
69.03419	5.2
69.07061	7.2
71.04995	3.5
79.05494	29.7
81.03381	2.7
81.07055	33.4
81.92794	2.5
83.04986	5.7
83.08611	7.5
91.05482	21.3
93.07040	28.1
95.04980	14.4
95.08613	20.4
97.06520	3.5
97.10149	9.8
103.05454	3.0
105.07028	25.8
107.04926	11.0
107.08575	17.6
109.06508	9.7
109.10143	9.2
111.04433	3.4
111.08078	43.3
117.06992	13.1
119.04926	5.7
119.08582	23.2
121.06495	10.8
121.10126	11.8
123.04421	17.3
123.08073	27.5
125.09609	5.0
129.06967	5.4
131.08578	17.2
133.06488	9.0
133.10103	8.1
134.99666	3.8
135.08041	11.5
135.11629	4.7
137.09682	2.8
139.03928	26.7
143.08554	9.7
145.02856	2.7
145.10123	15.7
147.04391	12.6
147.08025	12.9
147.11667	3.8
149.09602	8.2
151.07532	68.5
157.10146	8.5
159.11772	5.1
161.05974	5.6
161.09610	4.7
163.03925	7.4
163.11159	4.5
165.05536	6.1
171.11629	5.0
175.11006	3.4
181.12396	3.2
185.13194	2.9
189.12701	21.6
197.11719	11.3
205.12363	3.1
207.13806	46.3
213.12604	3.4
213.16212	3.7
227.09570	5.9
231.13609	3.8
233.15396	5.5
245.10555	10.3
249.14842	4.6
255.17339	4.2
268.12173	4.3
273.18484	31.5
291.19534	100.0
291.26913	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	291.1954
Annotation	Ecklonialactone A
Peak:m/z	Relative Intensity
55.01857	2.7
55.05302	0.8
55.05513	8.9
57.03411	1.2
57.07066	2.8
58.80631	1.0
59.04999	2.7
64.92986	1.1
65.24533	0.9
67.05483	4.4
69.03418	2.4
69.07048	3.8
69.48500	7.8
69.48925	2.1
71.04987	5.0
79.05489	9.5
81.03414	1.5
81.07051	7.2
83.04987	3.5
83.08614	7.8
85.02901	2.2
85.06533	2.5
91.05492	6.0
93.07040	12.8
94.32429	1.0
95.04951	4.7
95.08603	18.2
97.06528	5.9
105.07024	9.7
107.04958	17.5
107.08588	10.4
109.06528	5.7
109.10130	3.5
111.04431	1.6
111.08079	41.9
112.79514	1.0
113.09621	2.7
115.05460	1.2
117.07041	1.3
119.08595	8.3
121.06477	3.1
121.10132	7.3
122.07278	2.2
123.04410	3.6
123.08058	37.2
125.09613	2.4
129.06944	1.3
131.08542	5.5
133.06480	3.3
133.10130	11.2
135.04460	1.3
135.08058	5.8
135.11688	2.3
136.98405	1.1
137.09546	2.7
139.03914	6.4
142.07779	1.9
143.08546	3.1
145.10133	7.1
147.04398	4.6
147.08038	2.4
147.11714	6.5
149.09602	7.0
149.13293	1.9
151.07541	100.0
153.09114	1.4
155.10670	3.5
157.10167	5.3
158.10838	1.7
159.07970	1.2
161.05807	1.2
161.09622	4.0
163.03868	1.8
163.11205	3.1
171.11649	2.5
173.09590	2.0
173.13289	7.8
175.11179	4.0
177.09071	2.0
179.10663	4.7
181.12216	1.5
182.10861	1.2
189.12750	25.9
191.14313	13.3
192.11438	4.2
197.11696	17.0
197.13289	2.5
207.13803	59.3
211.13336	2.1
213.16229	1.4
215.14340	3.5
217.12210	3.9
231.17470	2.6
233.15356	49.5
235.13316	2.7
249.18539	2.0
255.17337	2.2
273.18533	8.6
277.07370	1.0
291.06485	2.0
291.19534	70.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1953
Annotation	Ecklonialactone A
Peak:m/z	Relative Intensity
53.03930	0.9
55.01857	1.9
55.05262	0.7
55.05512	8.9
56.96553	1.0
57.03422	0.9
58.06598	0.9
67.05183	0.4
67.05507	7.1
69.03410	1.0
69.07059	4.1
69.25431	1.0
69.25845	4.0
70.07405	0.5
71.04988	0.9
71.07379	0.5
79.05495	7.8
81.03406	0.8
81.07056	7.2
82.07372	0.5
83.04974	1.4
83.08621	4.1
86.09702	4.1
91.05473	6.3
93.07043	6.0
94.07352	0.5
95.04967	4.0
95.08615	4.3
97.09650	0.5
97.10178	3.7
98.21458	0.7
98.98448	0.6
103.05470	0.5
103.08733	0.4
104.10124	0.7
104.10741	6.5
105.06388	0.6
105.07027	6.4
107.04961	3.1
107.08592	4.5
108.05727	0.5
109.06525	1.0
109.10155	1.4
111.08083	0.6
115.05453	0.4
116.06206	0.4
117.07032	3.0
119.04914	1.6
119.08595	5.5
120.05664	0.5
121.06467	1.9
121.10133	2.0
123.04422	2.4
123.08038	1.0
124.99989	2.6
125.09624	2.0
129.06970	1.2
130.54103	1.2
131.08574	4.1
133.06480	2.7
133.10109	2.1
134.07281	0.9
135.04373	0.7
135.08008	1.2
135.11630	1.2
139.03954	2.6
143.08537	1.4
145.06432	0.6
145.10062	2.3
147.04390	1.2
147.08043	3.0
147.11710	0.5
149.09633	0.8
149.54895	3.8
150.04962	0.6
157.10219	0.7
158.55371	5.5
159.05507	1.0
159.07910	0.5
159.11664	0.9
161.05669	1.7
161.09590	1.4
162.10342	1.0
163.03870	1.3
163.11166	0.9
165.05511	0.5
170.06160	2.5
170.56323	0.6
171.11696	0.5
174.98550	1.1
175.11174	0.5
181.02582	1.2
181.56996	0.5
182.99039	0.6
184.07323	1.8
186.39853	0.5
189.11211	0.5
201.00139	1.4
201.25529	0.5
208.96457	0.5
223.13329	1.3
240.09969	6.0
241.10268	0.7
242.06415	0.6
245.10512	0.7
249.14784	1.1
249.18506	1.0
255.17319	0.5
261.08023	0.4
265.08096	0.5
270.65021	2.8
271.14890	0.9
273.18460	4.6
280.07785	1.0
288.66113	1.0
289.16138	0.6
291.19492	100.0
292.19873	1.6
298.08957	0.5
300.16867	1.4
301.20065	4.0
302.20483	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0862
Annotation	(+)-Catechin hydrate
Peak:m/z	Relative Intensity
55.01859	1.5
65.03938	1.0
67.05502	1.0
68.99780	2.0
69.66679	1.9
69.67082	1.1
77.03925	0.6
83.04983	1.2
91.05480	1.1
93.03397	1.5
95.04964	2.4
97.02895	0.6
98.20854	0.9
105.03408	0.4
111.04465	2.5
115.05427	1.3
119.04936	5.6
123.04426	67.0
124.04761	1.2
127.03909	1.2
133.06471	1.3
135.04359	0.4
137.02336	1.0
137.06006	0.6
139.03899	100.0
140.04230	1.2
143.04897	2.1
147.04411	19.0
151.03885	2.6
161.05983	6.5
162.78284	0.4
163.03911	2.1
165.05478	20.4
169.04959	1.7
177.05473	0.9
179.07014	3.0
181.04897	1.0
189.05505	1.5
202.81439	0.5
205.08537	0.6
207.06520	5.7
231.06537	0.6
249.07608	1.9
273.07562	2.5
291.08624	12.0
292.09027	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1954
Annotation	Ecklonialactone A
Peak:m/z	Relative Intensity
52.03321	3.1
52.11975	3.1
55.05517	5.4
67.05501	14.1
69.07068	6.9
70.16314	7.6
70.16711	7.5
79.05492	28.9
81.07052	15.9
83.08665	6.1
84.81654	3.3
85.76719	3.5
87.64188	3.1
91.05479	24.6
93.07044	36.7
95.08612	15.4
98.21490	3.8
105.07047	9.2
107.04966	3.8
107.08588	26.6
109.06485	4.9
109.10121	3.8
119.04948	25.7
119.08571	7.0
121.10135	19.9
123.04453	7.5
133.10156	6.9
135.11691	15.4
139.03897	8.0
145.10100	5.1
147.04410	100.0
147.11700	3.8
149.13220	13.5
163.11186	3.9
165.05486	47.9
172.04631	3.3
241.19505	5.6
249.18555	6.7
253.80479	3.8
263.07056	4.4
291.19800	8.0
291.23135	30.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1953
Annotation	Methyl [6]-Shogaol
Peak:m/z	Relative Intensity
55.05513	4.5
57.03428	0.8
57.07055	2.3
59.04983	3.0
67.05505	5.6
69.03429	1.4
69.07050	3.1
70.78676	2.4
71.04965	3.3
75.41843	0.7
79.05485	5.5
81.07050	8.1
83.04958	3.4
83.08606	3.7
85.02900	1.7
85.06526	2.9
91.05492	5.2
93.07035	10.9
95.04984	4.7
95.08611	13.6
97.06532	4.1
98.21426	1.0
105.07027	9.2
107.04945	4.9
107.08584	7.5
109.06509	10.5
109.10137	4.8
111.04469	1.8
111.08071	23.7
113.06016	1.0
113.09628	1.2
117.07038	1.6
119.04871	0.9
119.07772	1.2
119.08576	11.0
121.06495	1.9
121.10135	6.7
122.07346	1.5
123.04411	4.3
123.08059	34.7
123.11668	1.7
124.72959	0.8
125.09605	1.4
129.06998	1.8
131.08578	6.3
133.06480	3.6
133.10123	7.3
135.08057	7.0
135.11685	3.9
137.09595	3.7
139.03888	8.7
139.07506	0.9
142.07805	1.0
143.08537	2.3
145.10112	13.6
147.04410	3.2
147.08067	2.9
147.11664	7.3
149.09642	4.3
149.13174	1.2
151.07538	100.0
153.09187	0.9
155.08583	1.2
155.10699	1.7
156.09349	1.6
157.10118	5.3
158.10895	1.1
159.08028	1.5
159.11732	4.0
161.05917	0.9
161.09621	4.6
161.13232	2.7
163.03874	1.6
163.11172	4.1
169.10146	0.9
171.11702	4.6
173.09602	2.2
173.13266	5.7
174.10414	1.9
175.11163	4.1
177.09076	1.4
177.12764	2.1
179.10710	5.4
182.10889	1.5
185.13258	2.5
187.11197	3.9
187.14894	1.3
189.12738	26.0
191.10681	1.6
191.14297	6.1
192.11438	4.9
197.11699	15.3
197.13271	1.9
203.14293	2.6
205.12225	1.0
207.13797	66.6
211.13243	1.1
213.16425	2.4
215.14317	5.1
217.12236	3.8
229.23442	1.1
231.17465	1.9
233.15347	17.7
235.13321	2.0
255.17479	2.9
273.18503	9.9
291.08679	1.3
291.19528	59.6
291.26849	4.3
292.09543	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0389
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96564	91.0
70.01025	2.6
70.01426	1.0
70.33566	0.5
71.95273	1.4
74.97611	1.7
76.76973	0.5
80.81615	0.6
84.96030	4.5
89.10325	0.6
98.20836	1.2
98.33366	0.6
98.97578	45.1
101.05962	0.6
105.00127	0.7
110.97618	0.8
111.74404	0.6
112.99149	2.8
116.98619	40.9
119.01941	0.9
123.01224	1.7
124.99115	19.3
127.00684	4.8
128.98653	1.8
131.00160	5.4
133.03506	0.7
134.98622	1.3
134.99654	22.4
135.00652	1.2
139.00674	2.2
140.00197	1.1
140.98579	1.0
141.02220	5.3
143.00162	65.0
144.98090	1.2
145.01721	4.6
146.99657	0.7
149.01221	3.7
151.00713	2.1
152.98567	6.5
153.00667	3.0
156.98132	1.3
157.01735	3.2
158.01212	0.9
158.99675	2.1
159.03278	9.2
161.01219	73.6
162.99136	0.7
163.02811	1.0
166.01790	2.0
167.00163	4.4
169.01735	10.3
170.99651	31.6
174.99161	1.7
175.02806	1.4
177.00755	1.0
177.04352	2.4
179.02267	10.3
184.02892	2.9
185.01212	34.6
186.99159	4.0
187.02789	14.6
189.00711	69.5
194.01321	0.9
194.99681	2.5
201.00668	2.3
203.02272	37.5
205.00220	9.3
205.03668	2.8
207.01779	14.3
210.04378	1.0
211.02806	1.2
212.02333	2.1
213.00691	24.9
213.02722	1.3
219.01801	1.9
221.03336	8.0
223.01224	1.6
226.03870	1.8
229.00249	0.8
229.03845	1.1
230.99344	0.9
231.01759	46.2
245.03360	3.8
247.01218	4.9
249.02826	50.3
251.03267	0.7
254.03351	1.6
263.04401	5.8
265.02328	1.2
267.03879	30.9
272.04318	1.5
273.02780	12.1
285.04916	21.7
290.05530	1.4
291.03845	60.2
303.05801	1.0
308.06393	0.9
309.04910	100.0
314.05353	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0389
Annotation	Unknow
Peak:m/z	Relative Intensity
56.11819	1.5
56.34131	1.2
56.96564	91.8
57.00726	1.3
57.03429	2.5
69.03423	1.7
73.02893	5.2
74.97591	2.4
81.03425	1.6
84.96007	5.9
85.02892	4.1
89.58862	1.5
97.02904	2.1
98.20738	3.8
98.97579	39.2
116.98612	40.0
119.01852	3.4
120.65345	1.5
124.99091	15.1
125.05968	1.4
127.00665	2.1
127.03921	1.6
128.98595	3.0
131.00142	5.2
133.01630	1.9
134.99652	28.8
141.02214	3.6
143.00163	66.2
145.01692	4.7
146.99609	3.6
149.01199	3.0
152.98615	3.1
153.00705	3.9
155.02835	2.4
157.01666	4.4
158.99675	2.5
159.03304	8.7
161.01225	87.2
161.02577	2.8
166.01759	3.0
167.00188	4.2
167.53084	2.0
169.01715	7.7
170.99663	25.1
174.99202	2.3
177.00716	3.9
177.04311	2.9
179.02289	14.4
184.02788	4.8
185.01236	30.7
185.04622	1.5
186.99146	3.8
187.02802	14.6
189.00716	67.3
191.03917	2.9
191.54048	8.1
193.55565	1.7
194.99634	2.7
200.04503	7.1
200.54550	10.9
200.56265	2.8
201.00798	2.1
201.04816	2.1
203.02272	33.8
203.04106	3.2
205.00201	9.8
205.03830	3.5
207.01758	15.1
209.54997	1.6
211.02853	2.3
212.02130	2.5
213.00699	22.0
215.03802	1.5
221.03271	7.6
223.01044	2.1
231.01765	48.2
245.03391	2.5
247.01221	5.5
249.02811	51.6
254.03397	1.9
255.01663	1.6
263.04382	5.1
267.03870	38.4
272.04382	3.3
273.02744	16.2
285.04919	23.6
290.05264	1.9
291.03836	67.5
303.05942	1.9
308.06421	1.7
309.04904	100.0
310.05341	1.8
314.05389	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0388
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01842	1.1
55.05498	1.2
56.96562	100.0
57.03417	3.7
61.02911	1.8
67.05506	1.9
69.03416	5.3
70.06594	2.4
71.01339	1.2
71.59491	1.5
72.08141	3.7
73.02900	3.6
74.97585	2.7
75.81507	1.3
77.95699	1.2
81.03407	2.4
83.04978	1.8
84.04482	1.6
84.08116	2.3
84.96030	11.4
85.02893	7.3
86.09677	1.5
89.27753	1.2
91.05484	3.4
93.07054	1.8
95.04987	1.4
97.02879	4.8
98.92604	1.3
98.97578	39.1
99.04460	1.3
107.08596	1.7
108.99704	1.1
109.02898	1.7
109.10174	1.3
110.97585	3.3
112.05035	1.3
112.99139	3.4
116.98611	43.1
119.01908	6.8
121.01684	2.8
123.01260	1.4
123.04438	3.1
124.99106	9.3
125.82842	1.2
127.00621	1.3
127.03939	2.9
128.98624	6.2
131.00192	6.6
131.01947	1.7
133.03394	1.8
134.99657	37.1
137.02919	2.3
137.05920	2.1
139.03860	5.1
140.00189	1.5
141.02240	3.0
143.00153	44.5
143.01903	2.8
145.01711	3.5
145.03357	1.6
145.05051	1.8
146.99634	6.3
147.03267	2.2
147.04416	1.5
149.01236	6.2
152.98610	3.4
153.00696	9.1
156.98109	1.4
157.01759	3.4
158.99646	6.6
159.03279	8.1
161.01210	79.1
161.02856	3.7
162.99167	3.3
163.02666	3.2
163.03888	2.8
165.00731	2.1
167.00168	2.4
167.02234	1.7
169.01663	7.3
170.99638	18.2
172.94244	1.3
173.01268	2.2
173.02979	3.4
174.99161	2.9
177.00706	9.0
177.04362	3.6
178.05013	2.9
179.02249	14.9
184.02835	2.6
185.01202	25.4
186.99101	3.6
187.02779	11.5
189.00702	61.5
189.04184	2.6
190.00940	1.3
190.95288	2.1
191.02249	2.9
193.00246	2.3
195.01869	1.7
196.54782	2.8
201.00682	3.3
201.05934	2.1
203.02243	27.6
203.04030	2.6
205.00174	9.4
205.01918	1.6
205.03876	3.2
207.01732	16.2
207.05295	2.1
208.96541	1.7
208.99692	1.3
211.02928	2.0
212.02399	2.2
213.00682	21.4
217.00298	1.8
219.01694	6.5
221.03217	6.9
223.01143	3.2
229.03729	1.6
230.98207	2.3
231.01738	37.5
231.05296	2.0
232.96365	2.3
237.02718	6.0
245.03287	2.5
247.01271	2.7
248.99141	11.5
249.02797	40.4
250.97467	1.8
254.03297	1.9
263.04425	3.5
267.00275	12.4
267.03873	25.9
272.00580	1.5
272.04462	3.5
273.02689	9.8
285.04947	15.9
290.58264	1.8
290.97144	2.6
291.00583	2.4
291.03888	47.2
291.07291	2.9
291.10266	2.7
303.05682	1.5
309.04913	71.7
309.08423	4.7
310.04816	1.3
314.05594	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.087
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94552	1.3
53.03938	1.3
55.01859	2.1
56.05025	2.0
57.03429	2.2
60.04521	6.8
61.02922	7.5
68.99789	10.0
69.03409	2.9
70.02956	5.9
70.42912	3.7
73.02918	2.6
77.11331	1.1
81.03412	8.5
83.01340	1.2
84.04502	100.0
85.02905	30.9
85.03419	1.6
87.00806	6.2
90.41460	1.1
96.04468	2.4
97.02869	1.9
98.06043	2.0
99.04442	1.8
99.07023	1.1
103.03933	13.6
105.01846	3.1
108.04491	1.3
109.02876	24.7
110.06088	1.3
119.21964	1.0
126.05519	30.9
127.03921	11.5
129.01828	12.3
132.64384	1.1
140.55568	1.0
144.06534	6.0
145.04915	2.4
147.02869	6.5
147.04457	1.3
150.05502	1.5
152.39096	1.0
156.06540	1.4
163.03897	1.4
168.06557	3.5
169.30205	1.1
186.07596	4.3
189.03957	5.6
204.08652	4.1
228.08713	2.1
272.07623	9.2
290.08682	39.0
291.08923	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	290.0869
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.3
54.34837	0.4
55.01873	1.6
56.05025	2.1
57.03430	2.4
60.04524	7.6
61.02633	0.7
61.02921	8.0
64.42652	0.4
68.04998	0.5
68.99786	7.9
69.03407	2.1
70.02957	5.2
70.75076	0.4
70.75414	1.3
71.01379	0.4
71.04982	1.0
72.04514	1.0
73.02905	2.1
75.04472	0.4
79.05518	0.4
80.05035	0.8
81.03416	9.9
81.07075	0.7
83.01351	1.3
84.04501	100.0
85.02901	30.6
85.03431	0.9
85.03667	0.5
85.04819	0.6
86.77616	0.4
87.00821	6.7
91.05442	0.5
94.12151	0.4
96.04505	2.0
97.02892	2.4
97.05299	0.5
98.06044	1.9
99.04456	1.7
100.03954	0.9
103.03935	11.8
105.01867	2.3
108.04494	1.4
109.02879	23.2
109.10116	0.6
110.06022	1.3
117.01822	0.5
121.82790	0.4
123.04400	0.8
126.05511	27.2
127.03910	10.3
128.04257	0.5
129.01837	12.1
135.04454	0.7
139.03886	1.2
140.07069	0.8
144.06557	5.8
145.04955	1.2
147.02887	7.3
147.04344	1.3
150.05508	1.3
151.03900	0.4
156.06561	1.3
163.03952	1.4
164.38708	0.5
168.06590	4.1
169.04982	0.7
171.02911	1.2
186.07616	4.0
189.03934	4.5
195.02943	0.7
204.08681	3.9
211.70705	0.4
213.03960	1.0
220.93092	0.5
228.08720	2.2
231.05045	0.5
254.06541	0.5
272.07617	8.5
290.08698	29.7
290.25687	0.6
291.08905	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.0868
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42713	0.5
53.03947	1.0
55.01863	1.9
56.05029	1.3
57.03428	3.2
60.04525	6.5
61.02922	8.7
68.99786	7.3
69.03423	2.4
70.02948	6.1
70.06595	1.0
71.01352	0.8
71.04985	1.0
71.61415	0.4
71.61841	0.9
72.04520	1.2
73.02915	1.6
80.05016	0.6
81.03413	10.9
81.07056	0.6
84.04499	100.0
85.02900	28.5
85.04856	1.1
87.00830	7.6
88.03933	0.6
91.05449	0.6
93.07036	0.6
96.04488	2.0
97.02900	2.1
98.06061	2.2
98.97581	0.7
99.04456	1.5
100.03970	1.1
103.03938	11.8
105.01846	2.7
107.04944	0.7
107.91404	0.5
108.04480	1.8
109.02873	22.5
110.06055	1.5
112.03901	0.5
116.98618	0.7
119.04923	1.0
123.04436	1.6
124.04802	0.6
126.05508	30.7
127.03913	13.8
128.04291	0.5
129.00880	0.8
129.01837	13.7
130.06622	0.6
131.04956	0.5
135.04364	0.5
137.05959	0.6
139.03937	2.2
144.06541	6.5
145.04955	1.7
147.02911	7.5
147.04425	4.8
153.01773	0.6
156.06578	1.3
163.03967	0.9
168.06558	4.3
169.04974	1.5
171.02933	0.8
181.08687	0.5
186.07635	4.9
189.03928	4.9
204.08701	4.7
211.09647	0.7
213.04012	1.2
228.08739	1.6
231.05093	0.7
231.13820	0.7
246.09814	0.8
272.07559	7.7
273.07828	0.5
290.06238	3.5
290.08786	37.4
291.08957	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.0869
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.0
55.01863	2.8
56.05022	2.0
56.96560	1.6
57.03428	4.2
60.04522	7.9
61.02928	10.6
66.02800	0.6
68.99786	8.4
69.03430	7.2
69.31770	6.8
70.02961	5.6
70.06594	0.9
71.01360	1.4
72.04517	1.7
73.02915	3.5
80.05013	1.0
81.03419	9.5
81.07069	1.5
82.03708	0.6
83.01338	1.1
83.04951	1.1
84.04502	100.0
85.02905	31.2
85.03426	1.7
85.04848	0.8
87.00829	8.3
87.04449	1.8
91.05468	1.0
93.07042	0.9
96.04516	3.4
97.02891	7.7
98.03245	1.4
98.06045	1.7
98.97577	1.5
99.04442	2.5
100.03965	1.2
103.03939	16.4
105.01863	2.6
105.07058	1.0
108.04440	1.4
109.02876	25.0
110.06027	1.4
111.04440	1.3
115.03931	2.3
116.98603	1.9
119.01807	0.9
119.04974	0.9
120.08949	0.7
122.06046	0.8
123.04404	0.8
126.05516	29.2
127.03910	12.8
128.98645	1.1
129.01834	14.0
130.43773	0.7
133.05006	0.7
139.03900	1.9
143.00162	1.0
143.21840	0.7
144.06561	5.0
145.04956	2.0
146.99666	0.8
147.02876	6.8
147.04399	2.6
148.12086	0.8
150.05502	1.2
156.06537	1.5
161.01239	1.0
163.03891	0.9
167.02809	1.4
168.06516	3.7
169.04945	1.4
176.03320	1.3
186.07690	5.5
187.32062	0.7
189.03918	5.6
195.84422	0.7
201.00714	1.0
204.08673	4.2
213.03885	1.2
219.01787	2.3
224.03522	2.8
228.08638	2.6
237.02849	1.2
239.05949	1.4
240.06248	0.8
242.04684	1.5
249.06903	1.1
257.06818	1.6
258.07526	3.1
258.57706	0.9
272.07639	9.1
272.10248	1.2
290.08713	35.9
290.25684	1.8
291.08746	1.3
314.46844	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2163
Annotation	3-Methoxyestra-2,5(10)-dien-17beta-ol
Peak:m/z	Relative Intensity
53.03938	1.0
55.01875	1.2
55.05512	15.7
56.02431	0.6
59.04983	1.7
61.59629	0.5
66.75439	0.6
67.05504	16.3
69.07067	16.3
69.16521	0.6
71.04984	0.6
71.62922	0.7
73.06551	2.1
75.61880	0.6
79.05492	14.9
81.07059	21.4
83.04970	0.9
83.08620	10.7
85.06548	2.7
87.08128	0.9
91.05483	37.1
93.06464	1.0
93.07042	15.9
94.07381	0.5
95.04966	1.6
95.08611	20.1
97.06538	2.0
97.10145	1.1
99.08080	1.2
102.96024	0.6
103.05467	1.4
105.07033	51.2
107.04931	0.6
107.08607	8.9
109.06534	1.6
109.10168	7.6
110.81715	0.5
111.08076	2.4
112.33835	0.5
115.05412	0.9
115.07604	1.1
117.07022	12.3
119.08583	53.2
119.74277	0.6
120.08934	1.2
121.10139	7.1
123.08075	0.9
123.11682	0.9
127.03900	3.7
129.07037	3.3
131.08565	16.2
132.09332	1.0
133.10132	25.0
134.10429	0.8
135.04378	0.8
135.08041	1.7
135.11688	3.7
137.09584	1.4
141.07014	1.4
143.08551	4.2
145.10123	24.0
147.04396	0.9
147.08084	0.7
147.11688	27.6
148.12047	0.9
149.09593	2.3
149.13243	1.0
151.11188	1.0
155.08549	2.2
157.10120	10.3
159.11697	29.4
160.12102	1.0
161.09622	2.1
161.13261	17.5
162.13573	0.8
163.11159	1.7
169.10112	4.1
171.11690	5.1
173.09631	0.8
173.13277	14.0
175.11238	1.8
175.14799	3.5
181.12183	0.8
183.11684	4.6
185.13251	2.5
187.11259	1.4
187.14818	1.6
189.12717	2.6
193.12234	1.7
197.13234	4.0
201.12747	2.1
207.13754	1.4
211.14828	2.1
213.16428	2.1
215.17931	3.5
229.15878	1.9
229.19495	1.5
234.47401	0.5
239.17949	12.6
240.18430	0.6
247.16946	0.8
257.19019	19.0
258.19348	1.8
266.20218	0.7
289.21625	100.0
290.21909	7.6
303.08493	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	289.2373
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76003	6.3
55.05514	65.1
57.03416	6.0
57.07092	13.3
57.93807	5.8
59.04986	7.7
67.05501	58.1
69.07065	95.5
69.50786	58.4
71.04991	11.5
78.00379	5.7
79.05485	23.4
81.03427	7.7
81.07051	100.0
81.09934	5.4
83.04957	7.1
83.08617	54.2
84.04482	19.9
85.02892	12.1
85.06509	11.6
85.73474	6.2
91.05465	24.6
93.07030	46.7
93.72446	6.2
95.04936	7.7
95.08605	94.6
97.02883	10.1
97.06523	10.4
97.10175	71.2
99.08114	8.5
105.07024	29.4
107.08592	35.8
109.02856	8.7
109.10140	41.2
111.04440	14.3
111.08027	9.1
111.11696	28.3
119.08571	32.5
121.10149	45.7
123.04417	19.4
123.11674	21.7
125.09648	8.6
125.13297	11.8
126.05486	9.4
127.03911	38.6
131.08528	8.2
133.10121	36.3
135.04419	31.0
135.11697	35.3
137.09636	9.3
137.13257	14.3
139.03864	17.9
139.11163	10.1
141.09027	7.0
145.10106	8.3
147.11668	30.3
149.02325	9.6
149.13252	14.0
151.03886	8.2
151.11163	14.9
151.14786	8.9
153.01802	8.4
153.12726	11.4
161.13206	28.3
163.03957	12.8
165.12787	10.8
171.13815	8.3
175.14662	8.2
179.14288	11.6
189.07022	6.3
190.07768	8.5
217.19551	49.2
218.07285	17.2
229.06485	9.5
235.20569	50.4
243.06441	9.7
246.06787	25.4
253.21609	27.0
257.05908	11.2
261.09140	26.2
266.88947	6.6
268.21548	6.3
274.06219	27.3
289.05771	14.1
289.08575	54.2
289.25262	30.9
290.08939	13.0
298.08771	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	289.2524
Annotation	(E,E,E,E)-3,7,11,15-Tetramethyl-2,6,10,13,15-hexadecapentaen-1-ol
Peak:m/z	Relative Intensity
53.03930	2.8
55.05507	18.6
55.56506	1.5
57.07072	9.1
59.04990	2.3
60.95848	1.6
67.05500	20.8
69.03400	2.1
69.06731	2.4
69.07068	33.5
69.74475	12.3
71.04979	10.8
71.22507	1.4
75.77061	1.8
79.05114	2.2
79.05493	19.6
81.07054	76.6
83.08614	18.0
85.06541	2.0
91.05462	13.3
93.06474	3.5
93.07040	53.2
93.96995	1.7
95.04940	3.1
95.08606	66.0
97.10155	6.6
99.08108	4.0
105.07023	33.5
107.04923	2.1
107.08591	58.1
109.06474	3.6
109.10155	52.8
111.08049	4.5
111.11709	4.4
117.06999	3.3
119.04932	3.2
119.07787	2.9
119.08575	33.7
121.10140	50.2
123.08067	2.5
123.11703	27.9
125.09641	3.2
127.03927	20.8
127.11180	15.8
131.08562	8.6
133.10127	28.1
135.11687	25.1
137.09593	2.7
137.13264	13.5
139.11180	4.6
142.42426	1.5
145.10109	12.6
147.04410	10.3
147.11700	33.3
149.13260	45.1
151.11171	2.3
151.14778	2.6
153.12738	3.5
159.11682	17.5
161.13277	21.7
163.11230	1.8
163.14835	18.6
165.05475	4.6
165.12720	3.2
167.14319	3.0
169.01320	2.9
171.11635	2.0
173.13271	11.6
175.14819	15.0
177.16379	11.4
179.14301	9.5
187.14777	14.6
189.16402	11.4
191.17934	5.9
193.15715	3.8
195.17340	1.8
199.14992	1.7
201.16379	10.8
203.17932	25.5
215.17955	12.4
217.19507	4.0
219.17387	2.4
229.19484	3.2
231.21059	2.7
233.19069	3.3
245.22662	2.5
261.02631	5.8
271.24176	44.0
287.28732	2.1
289.06601	5.1
289.21738	5.6
289.25238	100.0
290.25540	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	290.0869
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.2
53.59665	0.6
55.01871	1.4
56.05030	2.0
57.03429	2.9
60.04529	5.9
61.02930	10.4
68.99792	6.8
69.03429	2.7
69.36513	2.9
69.36941	3.6
70.02959	5.2
71.04973	1.0
72.04525	0.9
73.02921	1.5
77.88799	0.6
80.05006	0.7
81.03423	10.4
83.01339	1.0
84.04505	100.0
85.02905	30.7
85.04841	1.0
87.00834	6.9
93.40749	0.7
96.04474	1.8
97.02895	2.7
98.06067	2.4
99.04455	1.5
100.03989	1.5
103.03941	15.0
105.01865	2.1
108.04471	1.9
108.05161	0.6
109.02884	25.2
110.06023	1.9
112.03991	0.7
116.24576	0.6
122.06061	0.7
123.04409	1.5
126.05517	33.7
127.03913	12.1
129.01820	13.4
130.06526	1.6
132.08066	1.0
135.04437	1.0
139.03905	1.8
140.07068	0.9
144.06532	5.9
145.04971	2.4
147.02893	8.0
147.04327	1.5
150.05466	1.1
156.06538	1.7
159.09163	2.2
163.03876	1.7
168.06534	4.5
169.05081	0.8
171.02943	1.0
185.07199	0.8
186.07677	4.8
189.03957	5.5
195.02847	0.7
204.08727	3.9
213.04005	2.2
227.08252	0.9
228.08623	2.0
245.09271	1.7
249.05946	0.6
254.06528	0.6
272.07623	9.6
290.08691	39.7
291.09003	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0917
Annotation	Dianthoside
Peak:m/z	Relative Intensity
53.03931	0.5
55.01863	0.4
56.91997	0.2
57.03419	0.5
61.02937	0.9
69.03432	1.7
69.82841	0.4
69.83256	0.8
71.04986	0.2
73.02912	0.2
77.96733	0.2
81.03387	0.9
85.02424	0.3
85.02899	4.2
91.03933	0.3
95.58791	0.2
97.02877	1.5
98.21424	0.2
99.04480	0.3
105.29671	0.2
109.02855	0.6
109.86807	0.2
110.60545	0.2
111.04444	0.2
123.04459	0.2
127.03908	100.0
128.04247	1.7
135.04414	0.7
139.03906	0.4
145.04977	0.8
163.03864	0.3
237.71011	0.2
289.12531	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1546
Annotation	N-(3-Indolylacetyl)-L-leucine
Peak:m/z	Relative Intensity
55.05501	1.8
57.03427	0.7
57.07074	0.5
65.03934	0.7
67.05499	3.8
68.99791	0.5
69.03421	1.1
69.07074	2.8
69.27045	5.2
71.04986	0.9
74.60821	0.4
79.05512	3.0
81.03413	0.9
81.07058	8.0
83.08611	1.3
84.04496	2.2
85.02903	1.4
85.06549	0.6
87.00890	0.4
91.05473	5.4
93.07047	5.0
94.06564	1.0
95.04959	1.4
95.08610	5.9
96.08144	2.2
97.10165	1.0
99.08037	0.4
103.03937	0.5
103.05451	0.6
104.04995	0.6
105.07050	3.6
106.06561	2.0
107.04936	2.1
107.08585	3.7
108.04437	0.5
108.08083	1.0
109.02895	0.9
109.06511	0.7
109.10166	3.0
110.06039	0.5
111.04445	3.0
116.04961	0.6
117.05785	0.9
117.06983	0.8
118.06542	5.1
119.07266	0.6
119.08576	2.8
120.07238	0.8
120.08106	12.7
121.06476	0.5
121.10133	3.2
122.09686	1.3
123.04433	3.8
123.08086	0.9
123.11710	2.2
124.07594	11.1
126.05486	1.0
126.09167	1.1
127.03928	6.3
131.08571	1.4
133.05208	0.6
133.10092	2.0
134.06023	6.0
135.04411	6.6
135.08032	0.8
135.11684	1.8
136.07568	5.3
137.05978	0.9
137.13249	0.6
138.05475	2.6
138.09138	0.7
139.03918	2.6
139.11171	0.9
145.06471	0.5
145.10094	1.2
146.05992	3.9
147.06805	2.4
147.11667	1.8
148.07574	11.1
149.02382	1.1
149.13197	1.4
150.09120	0.9
151.03889	1.5
152.07048	2.1
153.01851	1.1
159.11676	1.1
161.13249	2.0
163.03897	1.6
163.14813	1.2
164.07066	100.0
165.07600	2.2
166.08650	3.2
170.09576	0.6
173.13280	0.9
175.14827	0.8
187.14896	0.6
200.10806	0.8
201.16351	0.8
202.16051	0.5
214.10989	0.6
215.07104	1.1
215.15384	1.9
216.10245	2.3
217.08644	0.5
229.13333	1.1
243.06595	1.0
243.14944	6.1
245.16566	2.3
253.13399	1.7
254.11801	0.9
259.06085	0.8
261.07306	0.5
271.06027	1.0
271.14420	20.5
271.24139	1.6
272.14871	0.7
289.06177	2.1
289.15454	80.8
289.25162	6.8
290.08762	1.6
290.15866	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	287.2216
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98263	2.5
55.05513	14.6
67.05174	5.1
67.05505	67.8
67.09171	2.6
69.07076	14.3
71.04995	18.0
78.90878	2.7
79.05501	24.2
81.06583	4.4
81.07058	86.3
83.08604	9.9
85.06522	7.6
91.05485	19.3
93.06548	4.2
93.07049	44.6
93.31348	2.6
95.08605	86.9
97.06536	5.1
97.10159	14.2
105.07030	15.1
107.08594	30.2
109.10154	44.5
110.87217	2.9
111.08078	4.8
111.11700	5.9
117.07041	3.4
119.08599	21.1
121.02854	6.1
121.06530	6.3
121.10149	23.9
123.08092	4.0
123.11691	18.5
131.08594	15.2
133.10129	23.4
135.08060	6.3
135.11670	17.9
137.09599	12.4
137.13246	6.8
139.07513	3.0
145.10123	8.6
147.11685	7.5
149.09641	4.5
149.13278	8.1
151.11171	16.7
153.01851	7.6
153.09134	9.6
155.10677	4.7
159.11708	8.8
163.11150	4.8
163.14929	2.9
167.10692	4.3
173.13268	8.9
181.12288	5.7
191.17958	12.4
195.13843	6.6
213.05473	4.6
215.17937	40.3
227.07181	3.6
229.21893	3.1
233.19052	21.7
251.20071	30.9
255.06456	6.1
269.21149	35.8
287.05521	100.0
287.08820	7.1
287.23828	4.3
288.05902	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	287.2215
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.8
53.38591	1.5
55.05513	14.0
62.07301	1.8
62.70618	1.8
67.05174	3.2
67.05501	41.5
69.07067	13.0
70.91261	4.1
71.04993	8.8
78.10006	1.8
79.05499	16.4
81.06575	3.7
81.07051	60.1
83.08609	8.5
85.06525	5.3
91.05478	13.0
93.07040	25.2
95.04954	2.1
95.08603	56.2
95.13862	1.8
97.06549	2.6
97.10167	6.9
105.07030	9.5
107.08586	17.9
109.06499	3.3
109.10149	33.5
111.08075	2.4
117.07013	2.6
119.08561	12.9
121.02867	7.0
121.06524	4.5
121.10141	16.4
123.08060	5.6
123.11681	10.9
131.08539	8.0
133.02954	1.7
133.10123	19.5
135.08044	6.1
135.11674	12.9
137.09607	4.6
137.13252	2.6
139.07559	3.2
141.09163	2.1
145.10135	8.3
147.11679	4.0
149.09651	3.4
149.13239	5.7
151.11176	8.2
153.01860	10.3
153.09058	4.0
159.11719	5.7
163.07675	2.4
165.01849	4.0
165.12738	2.6
167.08501	2.2
167.10652	2.4
169.12170	3.0
173.13264	5.0
177.12807	5.1
181.12221	5.8
187.14799	4.3
191.17928	6.5
195.08005	3.1
195.13799	4.7
215.17935	31.1
227.10681	2.9
233.18997	16.5
251.20030	19.7
255.10242	2.8
258.05292	2.3
269.21060	29.7
287.05496	100.0
287.12524	3.6
288.05811	7.5
305.65686	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.2367
Annotation	9-cis-Retinol
Peak:m/z	Relative Intensity
52.98701	0.6
53.03946	0.7
55.05506	2.8
56.96563	1.8
57.07069	3.8
57.92306	0.6
58.06582	0.5
58.41748	0.6
62.06084	1.3
65.03966	1.1
67.05499	4.0
68.99780	1.5
69.07059	6.4
70.19248	3.1
71.04991	2.8
71.08624	2.9
79.05482	3.9
81.07054	8.2
83.08614	2.2
88.07607	0.7
91.05480	9.6
93.07043	3.7
95.08605	6.6
97.10183	1.2
98.21378	0.8
99.08088	1.0
103.05458	1.5
103.77071	0.7
105.07030	39.6
106.07351	1.4
107.04949	1.6
107.08579	4.3
109.10152	6.8
111.11698	1.6
117.07022	6.5
119.04940	3.5
119.08578	100.0
120.08920	2.0
121.02885	4.4
121.06484	1.0
121.10122	2.3
123.11714	1.9
125.13297	0.8
127.11176	2.1
128.06172	0.5
129.06993	1.7
130.07759	0.8
131.04893	0.7
131.08585	3.8
133.10130	4.7
135.08020	0.7
135.11711	1.1
137.02367	0.8
137.13269	1.4
142.07750	2.4
143.08548	6.0
145.06535	0.9
145.10124	23.1
147.04407	12.1
147.11671	3.2
153.01836	5.6
156.09319	1.9
157.06409	0.9
157.10127	18.2
159.11691	18.9
161.13220	1.1
165.01797	2.1
171.11678	7.6
173.13231	5.4
183.02850	1.0
185.05966	2.0
185.13255	9.2
187.14806	2.1
199.14816	5.2
201.16389	4.9
213.05547	2.0
213.16374	9.7
213.24071	0.9
220.61472	0.7
230.24768	1.5
231.25084	6.0
233.09665	0.8
239.02235	0.9
241.02759	0.8
241.05016	1.5
241.79816	0.6
258.05237	0.9
259.03275	0.8
264.07095	0.7
269.15417	2.1
269.22662	6.3
287.05493	73.2
287.17307	4.4
287.20255	1.2
287.23700	12.6
287.31357	24.4
288.05795	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0705
Annotation	Tragopogonic acid
Peak:m/z	Relative Intensity
55.01852	0.7
65.03934	1.8
67.01877	0.9
68.99777	2.5
70.67788	2.4
71.59296	0.7
79.43488	0.7
91.05476	3.7
107.04953	18.9
111.00787	0.8
111.04398	2.3
119.04933	2.7
121.02853	7.2
123.04443	5.2
127.03889	2.4
129.06993	0.8
131.04916	1.4
135.04411	9.5
137.02275	0.8
139.03899	5.7
141.07001	3.8
145.02789	1.2
147.08066	1.6
149.02338	60.4
151.03862	1.9
153.01831	13.9
159.04420	1.5
163.03860	2.2
167.03410	1.0
169.06505	6.2
171.02878	1.6
173.05910	1.7
185.05980	1.0
187.07533	2.3
197.05988	6.9
213.05492	1.3
215.07014	66.4
216.07431	1.0
225.05511	1.2
243.06522	100.0
253.04829	1.7
261.07681	0.8
271.06003	42.0
289.07040	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0705
Annotation	Tragopogonic acid
Peak:m/z	Relative Intensity
50.17307	0.9
52.59010	0.7
65.03926	1.5
68.99809	2.3
69.47491	7.0
69.72961	0.8
78.91865	0.7
79.87487	0.7
81.03383	0.7
81.50290	0.8
91.05486	3.9
107.04951	19.0
111.04441	2.8
117.06963	0.9
119.04924	2.0
121.02860	5.8
123.04447	4.5
127.03901	2.9
131.04933	1.5
135.04425	6.1
139.03903	4.4
141.07001	3.1
145.02870	1.8
147.04488	1.5
149.02341	59.9
151.03865	1.8
153.01828	18.1
159.04424	1.5
159.08072	0.9
163.03867	3.9
167.03433	1.4
169.06503	5.8
171.02879	2.0
173.05998	1.1
187.07549	1.1
195.02914	0.9
197.05992	6.0
201.05368	0.9
215.07027	67.9
216.07483	1.1
225.05478	1.6
243.06535	100.0
244.06877	1.8
253.04865	1.9
259.05939	0.9
259.92099	0.8
271.06012	39.5
289.06992	3.0
295.47858	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1277
Annotation	4-Hydroxy-2',4'-dimethoxydihydrochalcone
Peak:m/z	Relative Intensity
53.03933	1.2
55.01872	3.4
55.05487	1.1
56.96542	2.9
57.03424	0.7
65.03930	1.7
67.05494	5.0
68.99786	2.7
69.03413	3.1
69.07045	1.3
70.92590	0.8
71.59447	1.1
79.05067	0.8
79.05492	12.3
81.03404	1.4
81.07053	44.2
82.43940	0.7
89.03880	1.0
89.26691	0.7
91.05466	8.2
93.07024	2.3
95.04952	2.6
95.08602	1.8
95.64094	0.7
97.06570	0.8
103.05462	8.4
105.03357	2.0
105.07024	7.3
106.04171	4.3
107.04955	5.6
107.08585	1.8
109.06518	22.8
109.10127	2.0
110.07284	2.1
111.00803	1.3
114.67546	0.7
115.05453	2.0
117.03368	2.6
118.04154	2.9
118.37565	0.6
119.04936	10.6
119.08582	1.3
120.06094	0.6
121.02872	5.6
121.03658	0.8
121.06487	3.5
121.10124	0.9
123.04391	1.3
123.08060	1.8
123.11682	1.5
125.09648	0.9
130.04117	1.3
131.04929	7.2
131.08528	0.7
133.06490	13.4
133.10143	1.0
134.03600	1.0
135.04443	1.0
135.11713	0.8
137.02309	3.0
137.05960	2.1
139.18155	0.6
141.06918	1.1
145.06483	1.7
146.03624	6.4
147.04410	47.1
148.04785	0.7
149.05977	10.9
153.01816	9.5
157.06430	1.3
159.11571	0.9
161.05977	8.2
162.06796	2.3
163.03914	2.2
163.07526	1.0
164.04680	1.5
165.01883	3.0
165.05495	2.1
165.06985	0.8
173.13293	0.8
175.07541	1.8
177.05461	37.6
178.06255	12.1
179.07031	31.4
183.02887	1.0
183.08186	1.0
185.06023	1.6
188.04715	0.8
189.05492	1.3
195.03265	1.2
195.08139	1.4
199.07498	1.0
201.09085	5.9
203.06955	5.6
211.02667	2.1
213.05472	2.9
214.06288	7.2
215.07143	1.5
217.08592	1.0
223.07739	0.8
226.06224	0.8
227.10596	1.6
229.08592	77.0
230.05768	0.9
230.09027	1.3
231.06523	0.9
241.05046	1.5
241.07376	1.0
245.11716	1.8
255.10168	0.8
258.05286	2.0
259.04852	1.8
259.08759	0.8
264.05286	1.9
269.12024	0.8
269.22653	2.1
282.06473	4.0
287.05511	100.0
287.09030	3.2
287.12726	72.2
287.23596	1.6
288.05881	7.2
288.13132	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	287.2215
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05304	1.7
55.05510	18.7
66.31738	1.7
67.05505	60.1
67.52141	1.8
68.99799	2.3
69.01534	1.9
69.07061	17.3
69.51890	17.0
71.04989	18.8
75.26830	1.7
79.05492	26.6
81.06576	4.0
81.07057	81.6
83.04939	2.5
83.08623	14.1
85.06515	7.7
91.05464	18.1
93.07052	37.9
95.04964	2.1
95.08606	80.3
97.06512	6.3
97.10190	12.5
105.07042	15.7
107.08595	27.7
109.06535	3.2
109.10154	42.1
111.08060	5.0
111.11700	3.5
117.06998	6.3
119.08588	17.3
121.02869	5.1
121.06478	6.9
121.10136	24.9
123.08092	3.3
123.11700	16.5
131.08545	13.3
133.10117	28.1
135.08078	10.1
135.11679	15.2
137.02388	3.3
137.05948	2.7
137.09593	15.9
137.13234	7.7
139.07521	4.4
141.09077	2.7
145.10120	9.7
147.04378	2.1
147.11696	5.8
149.09605	5.7
149.13297	10.5
151.11205	13.6
151.14824	2.8
153.01823	9.7
153.09087	5.1
155.10637	4.5
159.11696	9.1
161.13264	2.5
163.11212	3.4
165.01802	3.2
165.12802	2.6
167.10745	4.9
169.12216	2.9
173.13254	7.7
175.14810	2.7
177.12697	3.7
181.12265	3.8
187.14813	4.4
189.16406	2.6
191.14207	2.3
191.17972	8.4
195.07895	2.4
195.13815	4.8
213.05486	3.6
215.17938	42.5
223.07422	2.2
233.18990	24.6
251.20047	29.0
253.76970	2.2
269.21100	39.6
287.05511	100.0
287.23715	3.4
288.05966	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	287.2215
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.8
53.38591	1.5
55.05513	14.0
62.07301	1.8
62.70618	1.8
67.05174	3.2
67.05501	41.5
69.07067	13.0
70.91261	4.1
71.04993	8.8
78.10006	1.8
79.05499	16.4
81.06575	3.7
81.07051	60.1
83.08609	8.5
85.06525	5.3
91.05478	13.0
93.07040	25.2
95.04954	2.1
95.08603	56.2
95.13862	1.8
97.06549	2.6
97.10167	6.9
105.07030	9.5
107.08586	17.9
109.06499	3.3
109.10149	33.5
111.08075	2.4
117.07013	2.6
119.08561	12.9
121.02867	7.0
121.06524	4.5
121.10141	16.4
123.08060	5.6
123.11681	10.9
131.08539	8.0
133.02954	1.7
133.10123	19.5
135.08044	6.1
135.11674	12.9
137.09607	4.6
137.13252	2.6
139.07559	3.2
141.09163	2.1
145.10135	8.3
147.11679	4.0
149.09651	3.4
149.13239	5.7
151.11176	8.2
153.01860	10.3
153.09058	4.0
159.11719	5.7
163.07675	2.4
165.01849	4.0
165.12738	2.6
167.08501	2.2
167.10652	2.4
169.12170	3.0
173.13264	5.0
177.12807	5.1
181.12221	5.8
187.14799	4.3
191.17928	6.5
195.08005	3.1
195.13799	4.7
215.17935	31.1
227.10681	2.9
233.18997	16.5
251.20030	19.7
255.10242	2.8
258.05292	2.3
269.21060	29.7
287.05496	100.0
287.12524	3.6
288.05811	7.5
305.65686	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.2215
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36565	1.2
53.03923	2.2
54.13875	1.5
55.01863	2.1
55.05508	21.0
57.07057	5.4
65.03944	2.3
67.05503	74.8
68.99789	1.5
69.07066	22.0
69.48994	3.5
69.49422	8.9
71.04988	19.3
79.05491	26.7
80.21779	1.4
81.07054	80.6
82.53032	1.3
83.04993	2.7
83.08617	14.7
85.06536	8.5
87.76659	1.3
91.05466	14.7
93.07039	40.4
95.04940	2.9
95.08603	100.0
97.06542	6.9
97.10168	14.1
98.21526	2.5
99.08065	2.1
105.07018	14.0
107.04953	2.2
107.08603	22.2
109.10154	55.3
111.08055	3.2
111.11713	5.4
113.09660	1.5
115.07548	1.6
117.07016	2.7
119.08571	11.0
121.02880	4.2
121.06528	2.2
121.10142	26.9
123.08047	3.1
123.11703	18.9
125.09657	1.3
125.13277	2.5
129.05458	1.5
129.06984	1.7
131.08569	7.9
133.10120	19.0
135.08051	2.7
135.11693	22.5
137.02274	2.0
137.09601	6.4
137.13272	5.2
139.11133	1.6
145.10085	7.3
147.11650	3.4
149.09662	2.6
149.13266	9.5
151.11191	8.4
151.14865	1.6
153.01820	7.7
153.09084	2.0
159.11690	8.6
161.13510	1.4
163.11099	2.5
167.10631	1.9
173.13264	4.4
181.12228	4.2
187.14819	2.6
189.16400	2.6
191.17943	20.5
195.13857	2.5
205.19510	2.4
209.18976	12.1
215.17944	20.1
225.22185	6.2
227.20018	4.1
233.18967	12.7
241.04976	2.2
251.20084	15.2
258.05249	3.0
269.21146	11.7
287.05515	67.6
287.08771	3.4
287.22174	4.4
288.05777	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	287.0548
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.2
55.97106	0.1
65.03928	0.3
67.01848	0.2
68.99786	1.6
69.03414	0.3
69.07063	0.4
70.91913	0.3
70.92256	0.3
74.82390	0.1
79.05466	0.6
81.03399	0.4
81.07038	0.5
83.08601	0.2
91.05448	0.2
93.07060	0.3
95.04967	0.4
95.08605	0.4
103.05453	0.4
105.03393	0.9
105.07006	0.3
107.04949	1.1
107.08586	0.2
109.02876	0.7
109.10155	0.2
111.00811	1.4
111.04420	0.4
117.06999	0.3
119.04969	0.2
119.08601	0.2
121.02866	5.8
121.06480	0.5
124.57141	0.2
127.03917	0.3
129.06984	0.3
131.04912	0.3
131.08499	0.2
133.02861	1.0
133.10109	0.3
135.04407	0.5
135.08072	0.3
137.02333	2.0
137.04953	0.1
137.05952	0.4
141.06995	0.4
145.06477	0.6
147.04401	1.4
149.05951	0.2
151.07500	0.3
152.06166	0.2
153.01826	9.8
157.06528	1.2
159.11696	0.2
161.05963	0.6
163.03915	0.2
163.07526	0.4
165.01830	3.0
166.02652	0.1
166.07732	0.2
167.08583	0.7
169.06490	0.2
171.03061	0.2
171.04445	0.7
183.02902	1.7
185.05971	1.0
189.05463	0.2
195.08058	1.3
197.05960	0.5
201.16481	0.2
213.05463	2.9
223.07552	0.3
227.10594	1.3
229.04958	0.4
231.06512	1.1
240.08110	0.2
241.04955	1.4
243.06558	0.2
255.10175	1.3
258.05200	2.5
259.06168	0.8
269.04416	0.5
286.04523	0.2
287.05490	100.0
288.05829	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0549
Annotation	Luteolin
Peak:m/z	Relative Intensity
55.01880	0.1
55.59906	0.1
56.40367	0.1
65.03931	0.3
67.01856	0.2
67.05500	0.1
68.99434	0.1
68.99783	1.6
69.03429	0.2
69.07063	0.1
70.93423	0.3
76.75369	0.1
79.05485	0.4
81.03414	0.2
81.07046	0.3
91.05481	0.1
93.07040	0.2
95.04961	0.4
95.08590	0.2
97.02896	0.1
103.05469	0.2
103.95226	0.1
105.03376	0.7
105.07036	0.1
107.04947	0.9
107.08606	0.1
109.02873	0.7
109.10117	0.2
109.90063	0.1
111.00793	1.4
111.04441	0.3
115.05471	0.2
117.07013	0.2
119.04916	0.1
119.08568	0.1
121.02858	5.7
121.10152	0.2
122.03163	0.2
127.03919	0.2
129.07011	0.3
133.02849	0.8
135.04388	0.3
137.02324	2.0
141.06982	0.2
145.06487	0.5
145.10152	0.1
147.04384	1.3
147.11617	0.1
149.02338	0.1
150.44276	0.1
151.03795	0.1
153.01819	9.6
157.06476	1.2
159.11646	0.2
161.05942	0.5
163.03903	0.1
165.01833	3.2
169.06532	0.2
171.02979	0.2
171.04413	0.7
175.03883	0.1
175.07530	0.2
183.02882	1.6
185.05960	1.1
185.13252	0.1
189.05457	0.3
194.02054	0.1
197.06021	0.3
199.03874	0.1
201.16426	0.1
203.03398	0.1
203.07051	0.4
204.64264	0.1
213.05461	2.8
217.04948	0.2
229.04883	0.3
230.05682	0.1
231.06508	1.4
241.02539	0.1
241.04906	1.4
243.06418	0.2
258.05225	1.9
259.06003	0.7
263.05515	0.1
269.04507	0.4
269.22687	0.1
287.05472	100.0
287.23401	0.5
288.05817	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0549
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92471	0.1
53.03943	0.1
58.87081	0.1
65.03946	0.2
67.01867	0.3
68.99786	1.5
69.03416	0.2
69.71893	0.1
70.73639	0.2
70.74022	0.2
79.05494	0.4
81.03407	0.3
81.07063	0.1
95.04961	0.4
103.05460	0.2
105.03403	0.7
105.06997	0.2
107.04955	2.9
108.05282	1.3
109.02875	0.7
111.00807	1.4
111.04439	0.5
115.05469	0.3
117.06995	0.1
119.04996	0.2
121.02867	6.6
121.03854	0.2
121.06520	0.2
122.03249	0.2
127.03904	0.2
128.06184	0.1
129.07002	0.4
133.02849	1.1
135.04413	0.4
137.02339	1.7
137.05971	0.4
141.06992	0.2
143.04878	0.3
144.05273	0.3
145.06497	0.7
147.04399	1.2
147.11578	0.1
151.03899	0.1
153.01826	9.8
154.02168	0.2
157.06470	1.4
161.05968	0.3
165.01830	3.3
165.05522	0.2
166.02286	0.1
171.02969	0.2
171.04433	0.6
173.05983	0.2
175.03882	0.2
175.07603	0.2
183.02917	1.6
185.05930	1.0
189.05412	0.2
197.05965	0.2
201.05504	0.2
203.03371	0.2
203.06981	0.3
210.09967	0.2
212.04597	0.1
213.05466	2.9
217.09834	0.1
217.29309	0.1
229.04895	0.4
231.06508	1.1
241.04980	1.8
242.05688	0.2
243.06503	0.3
258.05228	2.1
259.06003	1.0
269.04364	0.3
270.05212	0.2
270.12064	0.9
287.05490	100.0
288.05823	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	287.0548
Annotation	Cyanidin
Peak:m/z	Relative Intensity
50.77705	0.2
52.96524	0.1
55.05499	0.4
65.03922	0.2
67.01862	1.1
67.05502	0.9
68.99776	1.1
69.03395	0.1
69.07047	0.5
71.04981	0.6
71.08615	0.1
71.58371	0.2
75.84759	0.1
79.05489	0.6
81.07058	1.6
83.08627	0.3
88.45289	0.1
89.03898	0.2
91.05490	0.4
91.25081	0.1
93.07054	0.8
93.07542	0.1
95.04938	0.2
95.08604	1.7
97.10129	0.2
97.44250	0.1
99.08135	0.1
105.07017	1.1
107.04947	0.4
107.08596	1.0
109.02914	0.2
109.10146	1.1
111.00789	0.3
117.03394	0.4
117.06992	0.3
119.08577	1.2
121.02868	0.9
121.10142	0.8
123.11700	0.3
127.11171	0.2
129.01810	0.2
129.06998	0.2
131.08556	0.5
133.02809	0.1
133.09242	0.1
133.10107	0.8
135.04411	3.7
135.11708	0.3
137.02350	1.1
139.05414	0.1
143.08580	0.2
145.10091	0.9
146.52551	0.1
147.04404	0.4
147.11664	0.7
149.13164	0.2
153.01814	9.2
157.06473	0.3
157.10100	0.4
159.11716	0.6
161.02280	0.9
161.13249	0.2
165.01845	0.4
171.02881	1.0
171.04161	0.2
171.11713	0.2
173.13304	0.3
179.03384	0.6
183.02858	0.3
185.05962	0.3
185.13257	0.3
187.14803	0.2
189.16435	0.2
191.17867	0.2
199.14815	0.2
201.16371	1.2
203.03372	0.2
213.05386	0.6
213.16376	0.4
215.18047	0.2
219.06516	0.1
231.06592	0.3
233.18929	0.2
241.04933	1.1
245.04469	0.2
251.20078	0.2
258.05191	0.3
259.06094	0.3
263.05389	0.2
269.04492	0.7
269.22684	0.4
287.05475	100.0
287.23624	1.6
288.05817	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	287.0549
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36983	0.1
55.01867	0.2
65.03925	0.3
67.01844	0.2
67.05479	0.4
68.99785	1.7
69.03404	0.3
69.27673	0.1
69.27975	1.7
71.92392	0.1
77.04012	0.1
79.05479	0.7
81.03412	0.3
81.07030	0.6
84.11656	0.2
90.17599	0.1
91.05453	0.2
93.07013	0.3
95.04948	0.4
95.08589	0.5
98.20779	0.3
103.05482	0.2
105.03364	0.8
105.07055	0.2
107.04955	1.2
107.08585	0.3
109.02878	0.8
109.10146	0.3
111.00799	1.2
111.04429	0.5
115.05457	0.2
121.02853	5.5
121.10138	0.3
123.11637	0.2
129.06987	0.3
133.02849	1.0
135.04379	0.3
137.02325	1.9
141.07027	0.2
145.06429	0.5
147.04378	1.2
153.01814	9.4
157.06459	1.1
159.11613	0.1
160.25645	0.2
161.05954	0.3
165.01828	3.3
169.06451	0.3
171.02989	0.1
171.04407	0.7
175.03944	0.2
175.07709	0.2
183.02852	1.3
185.05927	1.2
191.17928	0.2
196.11002	0.1
197.05988	0.3
199.03915	0.2
203.07095	0.3
213.05449	3.1
216.04196	0.2
217.04880	0.2
229.04871	0.2
231.06508	1.1
241.04904	1.1
258.05200	2.1
259.06024	0.7
269.04318	0.4
287.05472	100.0
288.05835	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0549
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.3
55.01856	0.1
55.05500	0.3
56.96569	0.2
57.07055	0.2
65.03922	0.3
65.76305	0.1
67.01851	0.3
67.05514	0.7
68.99792	1.8
69.03407	0.3
69.07054	0.4
70.91228	0.2
70.91597	0.2
71.04978	0.2
79.05490	0.8
81.03391	0.2
81.07059	1.0
83.04977	0.1
83.08614	0.3
85.02923	0.1
91.05444	0.2
93.07035	0.4
95.04958	0.3
95.08617	0.9
97.10181	0.2
103.05447	0.2
104.25506	0.1
105.03388	0.7
105.07020	0.3
107.04951	0.9
107.08593	0.4
109.02892	0.8
109.10147	0.6
111.00810	1.4
111.04434	0.4
111.11790	0.1
115.05402	0.2
117.07056	0.2
119.04914	0.2
119.08591	0.2
121.02873	5.4
121.03841	0.2
121.10151	0.3
123.11700	0.5
127.03909	0.3
129.07010	0.3
131.05028	0.1
131.08589	0.2
133.02893	0.7
133.10115	0.2
135.04454	0.4
135.11662	0.3
137.02338	1.9
137.13231	0.2
141.06967	0.2
145.06477	0.5
145.10088	0.2
147.04416	1.1
149.13278	0.2
151.03874	0.1
153.01831	9.4
154.02203	0.2
157.06483	1.2
161.05969	0.4
165.01831	3.1
165.76962	0.1
169.06555	0.2
171.04430	0.5
175.03944	0.2
183.02881	1.4
185.05930	0.9
189.05544	0.2
197.06007	0.2
199.03903	0.2
203.03311	0.1
203.07042	0.2
205.19504	0.3
213.05464	2.6
215.18185	0.2
229.04962	0.4
231.06531	1.0
241.04971	1.5
241.08693	0.2
241.21582	0.2
243.06564	0.2
251.19986	0.2
258.05240	1.9
259.06021	0.6
269.04352	0.3
287.05499	100.0
288.05817	3.6
288.09097	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0548
Annotation	Cyanidin
Peak:m/z	Relative Intensity
53.03942	0.1
55.01854	0.1
65.03931	0.2
66.35271	0.0
67.01865	0.3
68.99785	1.7
69.03416	0.1
69.36199	0.5
69.36523	0.1
71.01342	0.1
79.05491	0.5
81.03414	0.2
83.01369	0.0
85.02877	0.1
91.05479	0.1
93.03452	0.1
94.04165	0.1
95.01325	0.1
95.04980	0.3
97.02876	0.1
103.05466	0.2
105.03386	0.6
107.04951	0.9
109.02876	0.6
111.00801	1.3
111.04415	0.4
115.05462	0.3
117.06989	0.1
119.04944	0.1
121.02859	5.4
122.03113	0.1
125.02361	0.1
127.03890	0.2
128.06139	0.1
129.07011	0.3
133.01941	0.1
133.02849	0.9
135.04408	0.3
135.08078	0.1
137.02328	1.8
139.05438	0.1
141.06967	0.2
145.06488	0.5
147.04402	1.2
149.02361	0.1
151.03891	0.1
152.02925	0.1
153.01819	9.0
154.02197	0.2
155.04897	0.1
155.92609	0.1
157.06477	1.2
161.02342	0.1
161.05988	0.3
163.03828	0.1
165.01831	3.0
166.02406	0.1
167.04930	0.1
169.06477	0.1
171.02895	0.1
171.04408	0.5
173.05986	0.1
175.03874	0.2
175.07579	0.1
179.03438	0.1
183.02878	1.4
183.44296	0.1
184.05287	0.1
185.05952	1.0
189.05490	0.2
191.03377	0.1
194.02151	0.1
197.06010	0.2
199.03879	0.1
201.05466	0.1
203.03413	0.2
203.07089	0.3
212.04709	0.1
213.05450	2.5
214.06012	0.1
216.04172	0.2
217.04889	0.1
229.04878	0.3
231.06488	1.1
232.06868	0.1
241.04935	1.4
242.05663	0.1
243.06491	0.2
245.04362	0.1
258.05231	2.1
259.05991	0.8
263.05539	0.0
269.04324	0.3
270.05615	0.1
286.04648	0.1
287.05478	100.0
288.05801	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	287.0548
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.1
62.13893	0.1
65.03926	0.3
67.01854	0.3
67.05504	0.1
68.99429	0.2
68.99780	1.8
69.03428	0.2
69.90057	0.5
69.90456	0.1
71.01353	0.1
79.05485	0.6
81.03392	0.3
81.07055	0.1
91.05465	0.1
95.04951	0.3
95.08554	0.1
103.05423	0.3
105.03386	0.7
107.04935	1.2
109.02858	0.6
111.00802	1.7
111.04435	0.4
115.05440	0.1
117.06985	0.1
119.04956	0.1
121.02861	6.1
121.06481	0.1
122.03204	0.1
127.03901	0.3
128.06192	0.1
128.72015	0.1
129.07002	0.3
133.02853	0.9
133.06519	0.1
133.80553	0.1
135.04387	0.4
137.02325	2.3
141.06984	0.3
143.04857	0.1
143.62697	0.1
145.06480	0.5
145.10126	0.1
147.04408	1.4
153.01817	9.8
154.02069	0.1
157.06488	1.3
158.20766	0.1
161.05965	0.4
165.01834	3.2
166.02480	0.1
169.06445	0.1
171.02954	0.2
171.04335	0.6
175.03850	0.1
175.07622	0.1
183.02884	1.7
183.04469	0.1
185.05949	1.1
189.05505	0.3
193.01103	0.1
194.02104	0.1
197.05962	0.4
199.03839	0.1
203.03424	0.1
203.07108	0.4
213.05441	2.7
217.04987	0.2
229.04956	0.4
231.06509	1.0
232.96574	0.1
241.04886	1.5
242.05679	0.1
243.06419	0.1
245.04388	0.1
257.04422	0.1
258.05243	2.0
259.05991	0.7
269.04471	0.3
287.05475	100.0
288.05804	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0549
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.2
55.01852	0.1
56.27201	0.1
56.27959	0.1
65.03926	0.2
66.10734	0.1
67.01848	0.5
67.05494	0.7
68.99785	1.8
69.03420	0.2
69.07046	0.2
70.10140	0.1
71.04990	0.2
71.54180	0.2
79.05480	0.8
81.03410	0.3
81.07048	0.6
91.05464	0.5
92.60889	0.1
93.03349	0.1
93.07030	0.3
95.04961	0.3
95.08604	0.6
97.02880	0.1
103.05465	0.2
105.03384	0.7
105.07014	0.2
107.04957	0.9
107.08577	0.2
109.02873	0.6
109.06490	0.1
109.10146	0.4
111.00803	1.3
111.04458	0.5
111.05099	0.1
115.05415	0.3
117.03388	0.1
117.07047	0.1
119.04955	0.2
119.08568	0.3
121.02866	5.1
121.06483	0.3
121.10138	0.3
125.02322	0.1
127.03986	0.2
128.57849	0.1
129.01767	0.1
129.06979	0.3
131.04967	0.2
131.08531	0.2
133.02863	0.8
133.10132	0.2
134.03601	0.1
135.04434	0.9
135.07991	0.5
135.11659	0.2
137.02336	1.8
137.05971	0.8
141.06984	0.3
145.06493	0.6
147.04401	1.3
149.02266	0.1
149.05952	0.5
151.03905	0.1
151.07526	0.4
151.11162	0.1
152.06190	0.4
153.01823	10.1
153.09067	0.1
154.02182	0.1
157.06488	1.0
161.02357	0.1
161.05971	0.3
163.07542	0.9
165.01822	3.0
165.06955	0.2
165.09094	0.1
166.07835	0.2
167.08563	1.1
169.06490	0.2
171.02872	0.3
171.04416	0.5
173.05696	0.1
175.03928	0.2
175.07590	0.2
183.02901	1.4
185.06001	0.9
189.05502	0.2
194.07278	0.2
195.08037	1.6
196.08771	0.1
197.05945	0.5
199.03937	0.2
200.93942	0.1
203.03398	0.1
203.07028	0.2
209.09676	0.2
212.08348	0.4
213.05463	2.5
215.17944	0.4
223.07668	0.5
227.10675	1.9
229.04999	0.4
231.06458	1.0
240.07860	0.2
241.04959	1.5
242.05826	0.2
243.06409	0.2
255.10139	1.5
257.04529	0.1
258.05222	1.8
259.06046	0.7
259.13147	0.1
269.04416	0.5
269.21161	0.2
272.10324	0.1
283.61096	0.1
287.05481	100.0
288.05792	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	287.0546
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.1
54.43749	0.1
60.04168	0.1
65.03938	0.2
67.01852	0.3
68.99783	1.5
69.03411	0.2
70.93361	0.2
79.05484	0.4
81.03410	0.2
90.91010	0.1
91.05479	0.1
95.04946	0.3
96.02243	0.1
97.02867	0.1
98.20962	0.1
100.55201	0.1
103.05477	0.2
105.02750	0.1
105.03371	0.8
107.04951	0.9
109.02866	0.5
111.00794	1.4
111.04420	0.2
115.05426	0.1
117.06981	0.1
121.02863	5.5
127.03922	0.2
129.06999	0.4
131.04919	0.1
133.02850	0.7
133.06461	0.1
135.04410	0.4
137.02342	2.0
139.05379	0.1
141.06931	0.2
145.06465	0.4
147.04390	1.1
151.03903	0.1
153.01820	8.5
154.02287	0.1
157.06459	1.2
161.05969	0.2
163.07494	0.1
165.01822	3.0
169.06445	0.1
171.03093	0.1
171.04402	0.6
175.03888	0.2
183.02876	1.6
185.05954	1.0
189.05415	0.2
197.05992	0.3
203.07047	0.3
213.05460	2.7
216.04187	0.1
217.05031	0.1
218.05623	0.1
229.04883	0.3
231.06508	1.2
239.33829	0.1
241.04910	1.3
242.05672	0.1
242.93205	0.1
243.06403	0.1
247.72678	0.1
258.05249	2.0
259.05905	0.7
269.04477	0.4
286.04465	0.1
287.05478	100.0
288.05798	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0548
Annotation	Luteolin
Peak:m/z	Relative Intensity
63.01293	0.1
65.03935	0.2
65.11697	0.1
67.01846	0.2
68.23931	0.2
68.99787	1.0
69.61956	0.1
70.26759	0.6
71.55569	0.2
75.64305	0.1
78.63466	0.1
79.05473	0.3
92.31052	0.1
96.48750	0.2
105.03380	0.4
107.04995	0.7
108.53253	0.1
109.02859	0.5
111.00819	1.2
121.02868	4.2
121.06513	0.1
127.03920	0.1
129.06984	0.2
133.02835	0.6
135.04373	0.3
137.02351	1.2
141.06972	0.2
145.06483	0.4
147.04411	0.9
153.01822	6.7
157.06480	0.9
161.06000	0.2
165.01831	2.5
168.17021	0.2
171.04430	0.6
175.03952	0.2
179.00877	0.2
183.02855	1.2
185.05992	0.7
189.05426	0.2
201.05513	0.2
203.07100	0.2
213.05457	1.9
219.35756	0.1
229.05005	0.3
231.06474	1.1
241.04912	1.1
258.05237	1.7
259.06036	0.7
269.04401	0.3
287.05490	100.0
288.05853	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0548
Annotation	Unknow
Peak:m/z	Relative Intensity
58.59211	0.1
63.46885	0.1
65.03929	0.3
67.01852	0.2
68.99783	1.7
69.57991	1.2
69.58324	0.2
79.05488	0.6
81.03415	0.2
95.04966	0.4
98.21520	0.3
103.05447	0.3
103.72557	0.1
105.03365	0.6
107.04948	1.3
109.02882	0.5
111.00793	1.6
111.04449	0.3
121.02859	6.2
122.03222	0.2
127.03906	0.3
129.06990	0.4
133.02847	1.0
135.04385	0.5
137.02339	2.6
141.06995	0.3
145.06447	0.5
147.04390	1.3
153.01820	9.8
154.02164	0.2
157.06479	1.3
161.05984	0.3
161.13069	0.2
165.01851	3.9
169.06488	0.2
171.04428	0.5
175.07487	0.1
183.02878	1.9
185.05974	1.0
189.05476	0.4
195.91180	0.1
197.05974	0.4
203.03433	0.2
203.07097	0.3
213.05452	3.2
229.04987	0.4
231.06516	1.3
241.04927	1.6
242.05757	0.2
243.06535	0.1
258.05234	2.6
259.06076	0.8
269.04410	0.3
284.81702	0.2
287.05487	100.0
288.05820	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.055
Annotation	Cyanidin
Peak:m/z	Relative Intensity
55.01880	0.3
58.04572	0.3
58.49964	0.2
62.98773	0.3
65.03947	0.3
66.39376	0.2
68.99788	1.4
69.03415	0.4
69.76655	0.9
69.77067	0.8
79.05503	0.5
81.03423	0.3
86.61618	0.2
95.04966	0.6
97.53358	0.2
103.05449	0.3
104.40296	0.3
105.03387	0.8
107.04943	0.9
109.02877	1.0
111.00814	1.6
119.05017	0.2
120.08869	0.2
121.02870	5.8
121.06499	0.3
131.11806	0.2
133.02824	0.8
135.04411	0.5
137.02327	1.7
137.06007	0.5
141.07016	0.3
145.06512	0.6
145.33916	0.2
147.04367	1.6
153.01825	9.4
157.06429	1.1
161.06096	0.4
163.07561	0.5
165.01855	3.2
166.16460	0.2
167.08575	0.6
168.32422	0.2
171.04419	0.6
176.26262	0.2
182.24283	0.2
183.02890	1.7
185.06012	1.0
189.05495	0.5
195.08064	0.7
197.06053	0.4
203.06929	0.3
212.04651	0.3
213.05444	2.8
227.10663	0.8
231.06589	1.1
241.05005	1.4
255.10078	0.8
258.05301	2.0
259.05951	0.7
269.04492	0.6
287.05499	100.0
288.05829	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	286.1437
Annotation	(S)-Coclaurine
Peak:m/z	Relative Intensity
53.03935	0.7
54.46757	0.4
57.03427	0.5
59.76118	0.4
69.03428	0.4
69.39099	0.7
69.39507	3.6
71.04984	0.4
73.76758	0.4
79.05497	1.0
83.04958	1.4
85.02898	1.4
91.05473	1.1
95.04968	1.8
97.02927	0.5
98.20719	0.5
103.05465	0.7
104.04756	0.4
107.04950	100.0
108.05292	0.6
115.05451	6.1
115.13688	0.4
117.06999	1.4
119.01929	0.5
119.04993	0.8
121.02843	0.8
121.06500	1.8
129.05495	0.7
131.04926	2.2
136.05128	0.4
137.05974	7.7
142.90970	0.4
143.04921	9.9
144.05705	1.1
145.06480	7.3
147.04381	0.4
147.08032	0.5
151.07539	2.3
155.05986	0.5
160.05219	3.5
163.07579	1.2
165.05492	0.8
165.06992	0.8
166.07758	1.2
167.08614	0.4
175.07539	14.0
178.08659	1.5
181.06445	0.7
181.10132	1.3
190.07802	0.5
191.08548	3.5
191.25150	0.4
194.07251	3.5
195.07997	0.5
197.05981	0.7
209.09624	8.5
210.09818	0.4
219.08002	1.4
223.07472	0.7
235.07411	0.4
237.09077	11.0
238.09752	0.9
239.07071	0.7
240.07747	0.5
241.08438	0.5
243.35263	0.4
254.09357	2.5
269.11713	40.0
270.12003	0.7
286.14368	60.4
287.05557	3.2
287.14685	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.1434
Annotation	(S)-Coclaurine
Peak:m/z	Relative Intensity
51.02377	0.4
53.03940	0.8
55.01902	0.3
58.28002	0.3
70.12009	0.6
70.12406	0.9
76.98650	0.3
79.05486	1.5
81.07056	0.3
89.90837	0.3
91.05476	1.9
93.07034	0.7
95.04954	1.6
98.20852	0.4
103.05457	0.7
105.04491	0.4
107.04950	100.0
108.05294	1.1
115.05447	9.6
117.07024	1.2
119.04956	0.7
121.02866	1.0
121.06493	3.7
124.03947	0.8
131.04900	1.8
132.05777	0.4
133.06516	0.5
135.04434	0.7
137.05968	8.6
139.02101	0.3
143.04919	15.4
144.05493	0.3
145.06476	7.0
149.05960	0.4
151.07533	1.0
153.01831	1.1
155.06023	0.4
160.05247	1.6
163.06317	0.6
163.07503	0.6
165.06981	0.4
166.07787	0.9
175.07549	6.6
176.08133	0.3
178.08624	5.2
179.08461	0.4
181.06509	1.3
181.10197	0.7
183.08104	0.4
191.08580	2.4
194.07265	3.2
195.07997	1.1
197.06020	0.4
209.06104	0.3
209.09610	7.0
211.07573	0.4
211.11220	0.6
218.07263	0.4
219.07993	1.6
222.06732	0.7
225.05624	0.3
225.09148	0.3
226.09656	0.5
227.10425	0.4
230.05254	0.6
236.08435	0.5
237.09087	8.0
237.11395	0.6
238.10005	0.6
239.06989	1.8
240.07765	0.8
240.11235	0.5
241.05069	0.4
241.08606	0.4
251.10605	0.8
254.09291	1.4
256.10852	1.1
269.11716	29.0
270.12088	1.3
286.04239	0.9
286.14374	74.0
287.05496	16.3
287.14600	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.2575
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	7.6
56.96572	3.6
57.07072	3.8
67.05506	11.7
69.07063	15.8
71.08616	1.8
71.09990	2.0
71.66129	0.7
79.05489	6.8
81.07055	35.7
83.08617	7.6
83.78165	0.7
91.05476	8.1
93.07040	17.6
95.04978	0.8
95.08605	34.9
97.10181	3.2
105.07039	19.7
105.07761	1.0
107.08594	25.3
109.10157	28.1
109.88296	0.8
111.11757	1.4
113.19006	0.6
117.07008	2.6
119.08578	25.0
121.10142	20.8
123.11713	16.9
131.08580	7.3
133.10127	16.2
135.11690	12.3
137.13260	4.9
143.08530	1.0
144.09299	0.9
145.10114	12.1
147.11681	14.6
149.13264	11.1
151.14809	1.5
157.10120	1.2
159.11682	15.5
161.13257	16.1
162.13657	0.7
163.14832	10.7
173.13275	10.8
174.13643	0.6
174.34332	0.6
175.14828	13.6
177.16396	7.1
185.13199	1.1
186.13922	0.6
187.02863	0.7
187.14799	6.7
189.16389	9.7
191.17879	4.6
201.16382	9.7
203.17937	5.5
205.19511	0.9
211.02798	1.0
213.04381	2.0
215.17958	11.5
216.18436	1.0
229.19508	12.7
230.20096	0.9
239.02277	5.6
243.21112	3.6
257.03354	8.7
257.22522	1.2
262.03812	1.6
268.10895	1.3
280.04968	1.2
285.25763	100.0
286.26071	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	285.2424
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	3.1
55.01863	4.5
55.05262	4.4
55.05511	61.2
56.96563	51.0
57.03432	5.4
57.07077	11.3
59.04981	3.2
63.00046	3.8
67.05505	60.4
69.03412	4.2
69.07067	100.0
69.54211	19.4
71.04991	5.5
71.08636	4.1
79.05489	28.2
80.22306	2.0
81.03406	6.7
81.07056	83.9
83.04972	5.8
83.08619	58.3
85.02888	2.6
85.06535	7.4
91.05479	20.9
93.07046	35.6
95.04961	6.6
95.08601	80.7
96.08917	2.9
97.06538	13.5
97.10172	51.3
99.08082	7.8
105.07037	19.8
107.08598	25.9
109.06522	6.0
109.10159	38.2
111.04443	2.4
111.08078	8.5
111.11720	20.2
112.54279	2.4
113.09686	2.8
119.08578	28.4
121.10152	40.0
123.08064	5.9
123.11714	20.5
125.09615	5.0
125.13292	8.2
129.09184	2.4
131.04887	2.5
131.08540	2.5
133.10124	25.2
135.11691	32.2
137.09631	6.4
137.13255	11.1
139.11171	11.0
143.10670	2.5
145.10100	6.3
147.04405	7.9
147.11688	23.2
149.13266	6.6
151.11182	9.6
151.14859	7.4
153.12779	6.6
155.10620	3.2
157.10185	2.3
161.13287	19.1
165.12744	8.9
169.01724	3.0
171.11655	2.3
175.14803	7.1
179.14331	6.5
181.01758	2.8
187.02745	4.1
191.17879	3.1
193.01837	2.9
193.03468	5.2
193.12177	5.0
193.15875	2.8
195.03313	6.8
195.04955	2.8
203.00348	3.1
209.01195	5.9
209.02971	6.3
211.02765	12.0
211.04517	2.7
213.04291	27.7
213.06000	3.7
217.19528	44.6
221.01137	4.0
221.06079	3.0
225.09111	5.9
231.05336	5.4
235.20580	39.0
236.05905	3.9
239.02237	62.9
240.02617	2.8
253.08546	8.6
253.21634	13.5
257.03195	89.7
258.03836	3.2
262.03864	10.4
262.06125	4.0
268.11020	3.4
275.04266	2.9
280.04456	8.6
280.06735	14.4
285.04388	3.3
285.07471	10.7
285.11044	8.0
285.21771	5.0
285.24536	4.6
285.29678	2.7
303.08405	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1696
Annotation	Dihydroartemisinin
Peak:m/z	Relative Intensity
53.03935	4.2
55.01861	4.8
55.05507	20.9
57.03436	43.2
57.07067	1.5
65.03921	1.4
67.05500	35.0
69.03417	5.3
69.07066	10.0
71.04980	10.1
71.58833	1.2
71.59306	1.9
75.29407	1.5
75.61682	1.1
79.05055	2.4
79.05490	34.4
81.03417	81.4
81.07057	43.7
83.04980	17.0
83.08617	29.5
85.02905	65.4
85.06534	3.4
91.05483	39.4
93.07050	25.2
95.04971	33.3
95.08599	20.1
97.02884	1.9
97.06522	5.2
97.10159	2.7
99.04443	1.6
99.08049	1.4
100.56373	1.4
105.07024	29.8
107.04951	15.1
107.08599	9.0
109.06505	6.6
109.10145	5.9
110.03919	1.3
111.04410	3.3
111.08076	17.7
113.06004	3.8
115.05479	2.9
117.06994	2.9
119.08577	25.2
121.06516	2.8
121.10123	14.8
123.08073	6.4
123.11703	2.6
125.09621	2.5
127.07547	1.2
127.11748	1.2
129.06985	13.2
131.08562	13.4
133.06465	2.4
133.10136	14.3
137.05937	2.6
137.09575	2.2
142.07785	3.4
145.10085	2.7
147.07997	3.8
147.11700	24.5
149.06058	1.3
149.09589	6.6
153.19948	1.4
157.10112	17.5
161.05984	6.2
162.11267	1.4
165.06999	3.9
165.12743	3.9
175.11169	22.4
175.12549	2.2
187.60970	1.2
193.06476	2.4
193.12245	76.9
194.07199	2.1
197.13316	1.5
210.06812	3.6
211.13297	52.3
221.05963	2.0
225.09059	7.7
229.04979	1.8
238.06148	1.6
253.08641	10.6
257.04446	1.7
267.15936	8.7
268.10571	1.9
270.08670	1.5
285.03915	4.2
285.07916	2.7
285.11429	13.7
285.16956	100.0
286.14252	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	285.0546
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59056	0.4
56.96564	35.3
56.96831	1.8
69.61935	1.5
69.62340	1.3
72.73342	0.4
74.38026	0.3
74.97594	0.9
146.52075	0.4
150.56145	0.4
151.00636	0.5
158.29803	0.4
165.01758	0.4
169.01694	2.5
181.01645	1.1
183.02858	0.5
187.02800	4.0
188.98659	0.7
191.00208	1.9
193.01738	4.2
195.03264	6.3
197.01172	0.9
199.02766	0.6
199.99803	0.7
203.00032	2.2
206.99559	1.2
209.01283	3.0
211.02768	12.4
213.04335	17.3
218.04808	0.6
221.01146	3.7
229.03819	2.3
231.05296	2.9
232.02884	0.4
234.04305	0.9
236.05817	1.3
239.02260	61.6
240.02655	1.6
244.02841	1.3
257.03326	100.0
258.03702	2.6
259.03812	0.7
259.54010	0.4
262.03873	14.5
263.04117	0.8
275.04358	3.0
280.04938	14.8
281.05249	0.6
285.05515	1.9
303.06702	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.133
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	2.5
57.03419	6.8
60.31556	1.5
70.27057	5.8
75.04478	2.9
79.05484	4.4
81.03391	1.7
81.07070	2.1
90.02104	1.6
91.05477	19.8
93.07046	3.1
95.04981	3.3
99.22549	1.6
101.46983	1.6
103.05453	4.5
105.03399	3.6
105.07033	22.3
106.04157	2.3
107.04965	15.7
108.35107	1.7
109.06517	3.8
115.05376	2.2
118.04184	3.3
119.04946	24.4
121.06502	12.8
123.04423	2.6
123.08072	1.7
125.05965	3.4
133.06480	18.4
134.03632	4.4
135.04367	8.7
136.05193	4.9
140.04678	12.5
143.05957	1.8
147.04370	4.5
149.05980	19.7
151.07556	13.6
153.05458	100.0
154.05815	2.7
161.05977	36.4
167.07031	20.6
168.07806	86.9
169.08087	2.8
177.05440	4.0
179.07042	8.9
181.08604	6.3
182.09459	1.9
193.08609	51.9
196.07307	81.1
197.07678	1.9
209.08002	9.6
210.08778	2.5
211.09651	66.1
225.09207	2.7
253.08569	3.6
285.07440	3.5
285.10938	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1697
Annotation	Hysterone D
Peak:m/z	Relative Intensity
55.01870	4.5
55.05510	25.0
56.96567	24.9
57.03185	4.3
57.03439	45.2
67.05505	36.6
69.03423	5.3
69.07063	14.1
71.04987	12.4
71.58113	5.1
79.05490	32.8
81.03421	92.1
81.07053	46.3
81.64446	2.5
83.04994	16.6
83.08614	38.1
85.02911	81.4
85.06549	3.1
86.24822	2.5
91.05474	36.9
93.07034	23.9
95.04965	34.5
95.08617	19.8
97.02906	5.9
97.06541	6.2
97.10177	4.1
105.07041	33.1
107.04951	9.2
107.08597	12.5
109.06539	6.7
109.10170	6.2
111.04429	3.1
111.08081	22.8
113.05988	6.8
119.08589	27.3
121.06519	2.6
121.10135	14.3
123.08065	4.1
123.11684	4.7
125.09597	3.0
129.06999	12.7
131.08569	15.1
133.06493	3.9
133.10130	15.5
137.09515	2.4
142.07808	5.1
145.10181	5.8
147.08038	3.6
147.11697	27.2
149.09636	9.8
157.10132	18.4
165.12746	7.3
165.75677	2.6
171.01320	3.2
175.11192	24.5
187.02850	3.1
193.12247	100.0
195.03296	3.3
211.02722	4.2
211.13306	84.1
213.04370	9.3
221.01236	2.8
233.01910	2.7
239.02286	37.9
257.03320	61.7
262.03748	12.4
267.15945	4.5
268.10880	3.7
280.04938	10.8
285.16983	96.1
285.22171	5.3
285.25784	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1696
Annotation	Dihydroartemisinin
Peak:m/z	Relative Intensity
53.03941	3.2
54.29948	2.2
55.01859	4.0
55.05510	21.9
56.10630	1.8
56.96555	8.8
57.03438	45.1
57.07069	3.4
65.03932	2.2
67.05501	29.6
69.03420	4.8
69.07060	10.2
71.04992	11.0
71.08642	2.5
71.59656	3.4
71.60035	2.8
74.92823	1.6
79.05492	28.5
79.85791	1.8
81.03419	75.2
81.07056	45.0
83.04977	20.7
83.08616	33.7
85.02903	78.7
85.06541	3.7
91.05480	41.5
93.07036	21.1
95.04971	34.6
95.08598	23.1
95.63947	2.1
97.02863	4.8
97.06503	5.2
97.10152	6.4
97.71803	2.0
105.07043	30.6
107.04992	9.4
107.08593	13.0
109.06512	8.2
109.10129	9.0
111.04459	2.7
111.08069	15.9
113.05988	4.5
119.08567	27.4
121.10133	16.8
123.08054	4.0
123.11700	6.1
125.09511	2.1
125.83411	2.0
129.06995	14.7
131.08565	13.1
133.06401	3.1
133.10133	13.1
137.13217	3.0
142.07823	3.6
145.10101	2.3
147.08031	4.5
147.11681	24.6
149.09631	10.2
150.62436	1.9
157.10126	21.6
165.12781	7.9
175.11179	25.9
193.12245	91.7
203.75362	1.9
211.02739	2.2
211.13287	77.4
213.04337	5.7
237.72774	2.0
239.02252	11.5
253.08511	2.1
257.03265	19.9
262.03799	5.6
267.16037	2.1
278.31564	1.9
280.04959	6.1
285.16965	100.0
285.22028	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	285.0545
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70523	0.3
56.96505	30.5
56.96813	2.5
56.96950	1.2
69.36334	1.3
69.36760	1.5
74.97580	0.3
84.75182	0.3
91.05454	0.3
100.46948	0.3
105.06960	0.4
114.67379	0.3
132.97585	0.3
134.27036	0.3
151.00700	0.3
156.99599	0.3
165.12585	0.3
169.00395	0.3
169.01671	1.8
177.02168	0.5
181.01646	0.9
187.02760	3.6
188.98592	0.6
191.00133	1.5
191.03247	0.5
193.01714	3.2
195.03281	6.0
197.01134	0.4
203.00043	1.9
206.99608	1.2
209.01199	2.4
211.02768	11.9
211.04791	0.6
212.03116	0.3
213.04340	16.3
214.04710	0.4
215.02126	0.4
216.03358	0.4
218.04817	0.4
221.01147	3.3
221.03049	0.4
227.02275	0.7
229.03734	2.0
231.05363	2.8
232.02711	0.4
234.04315	1.0
236.05931	1.3
239.02243	57.3
240.02588	1.2
244.02792	1.0
253.08408	0.3
257.03308	100.0
258.03696	2.8
259.03705	0.4
262.03848	13.4
263.04279	0.5
275.04413	2.5
280.04892	13.1
281.05222	0.5
285.05374	1.3
303.06470	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0544
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62169	0.5
56.28765	0.5
56.96563	95.5
67.05508	1.2
69.07047	0.7
69.60793	4.1
71.08632	2.2
74.97626	1.1
81.03400	0.8
81.07056	1.9
83.04966	0.6
83.08622	1.3
85.02905	0.8
85.06515	0.7
88.11266	1.9
91.05479	0.6
92.98647	0.7
95.08629	0.9
105.06979	0.8
107.08572	0.7
119.08588	1.1
131.08549	0.6
132.99593	0.7
133.10172	0.6
147.04439	0.9
147.11681	0.7
151.00716	0.8
158.08357	0.5
159.01228	1.8
169.01701	6.3
170.15384	7.5
175.11224	0.8
177.02261	1.5
181.01756	2.2
183.03334	1.0
184.00380	0.7
187.02773	12.2
187.07468	0.7
191.00154	4.1
193.01744	1.5
193.12250	1.0
195.03279	16.5
195.05112	0.8
198.14877	8.6
199.02805	1.1
199.99873	2.0
203.00076	2.9
205.03764	1.4
209.01222	13.1
210.04369	1.1
211.02760	8.8
213.04338	70.7
214.04733	1.0
215.02342	1.0
215.04622	0.7
218.04860	1.2
221.01173	8.6
225.09203	1.2
227.02237	2.3
229.03825	2.2
231.05399	12.5
232.02896	1.0
236.05948	8.1
239.02255	100.0
240.02588	1.7
244.02753	2.7
253.08446	1.1
257.03314	81.9
258.03717	1.6
259.03735	0.7
262.03857	17.1
263.04245	0.7
267.13681	0.6
268.10895	1.1
268.22690	0.9
275.04288	1.8
280.04877	13.5
284.29327	0.8
285.05426	1.3
285.10959	0.8
285.22061	1.3
285.25320	2.9
285.29736	0.7
303.06494	1.1
304.53561	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0545
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	0.6
56.96565	40.1
67.05502	0.6
69.07077	0.4
69.42549	0.3
70.55804	0.6
70.56203	0.7
71.95293	0.3
74.97623	0.7
81.03410	0.7
81.07065	0.7
83.04988	0.3
85.02905	0.6
91.05471	0.7
93.07064	0.4
95.04952	0.3
95.08606	0.5
105.07057	0.6
112.17274	0.3
114.96717	0.3
117.07039	0.3
119.08521	0.3
121.10068	0.3
133.10143	0.4
147.04378	0.3
153.86615	0.3
169.01744	2.3
173.01112	0.3
174.30011	0.3
177.02257	0.7
181.01686	1.0
187.02737	3.8
188.98560	0.7
191.00191	1.5
193.01743	3.7
193.03508	1.3
193.12234	0.9
195.03316	5.6
195.04947	0.6
197.01225	0.8
199.99864	0.7
203.00093	2.5
205.03815	0.5
206.99614	1.0
209.01176	3.4
209.02946	0.9
210.04388	0.4
211.00838	0.6
211.02783	12.3
211.04732	0.8
211.13290	0.7
213.04335	17.7
214.04738	0.4
215.02269	0.7
218.04791	0.6
221.01118	3.9
221.02878	0.4
227.02271	0.5
229.03833	2.8
231.05399	3.2
232.02782	0.4
234.04446	1.0
236.05928	1.7
239.02255	58.5
240.02568	1.4
244.02863	1.1
257.03305	100.0
258.03613	1.8
259.03674	0.7
262.03729	14.5
263.03952	0.5
267.06604	1.7
268.10898	0.5
275.04434	2.7
280.04617	12.1
281.05212	0.8
285.05414	1.4
285.10602	0.4
285.16986	0.9
299.62256	0.3
303.06491	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0542
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14868	0.5
53.36115	0.5
55.05505	0.7
56.96560	54.9
57.07062	0.6
60.08154	0.8
67.05487	0.8
69.07028	0.6
70.72450	0.7
70.72781	1.3
74.97607	1.2
76.93207	0.6
79.05458	1.1
80.98341	0.5
81.07018	1.3
83.08582	0.6
85.06522	0.8
91.05469	2.0
92.94882	0.5
93.07027	2.3
95.04952	0.7
95.08578	0.8
105.06985	1.5
107.08598	0.9
109.10182	1.0
119.04898	1.4
121.10147	1.8
123.11697	0.6
125.36137	0.7
131.08496	0.7
147.03557	0.5
147.04422	5.9
155.01906	1.9
157.06430	0.9
159.01196	0.8
160.04727	0.9
169.01697	2.4
170.70354	0.6
171.01387	8.3
177.02185	0.7
177.05499	0.7
181.01671	1.6
183.07828	0.6
187.02750	6.1
187.07587	0.8
191.00108	2.3
193.01711	3.2
195.03258	8.8
197.01204	1.2
199.02733	1.4
199.99850	0.8
203.00256	2.4
205.83273	0.6
206.99715	1.1
209.01196	5.5
210.04283	0.9
211.02754	14.1
213.04330	33.1
214.04749	1.0
215.02303	0.9
216.03171	0.7
216.78015	0.6
218.04836	1.3
221.01151	4.7
221.10126	0.8
227.02251	1.0
229.03845	2.9
231.05431	6.1
234.04398	1.2
236.05896	4.8
237.09706	1.5
239.02243	68.5
240.02618	1.6
244.02811	2.2
254.06996	0.7
257.03308	100.0
258.03699	3.2
262.03864	24.0
263.04175	1.7
267.13748	4.2
268.10904	1.4
275.04514	2.8
280.04926	23.5
281.05121	1.4
284.33023	4.5
285.05243	3.7
285.14816	1.1
285.17834	1.6
285.33435	1.3
286.05887	0.6
303.06549	2.2
303.18204	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0545
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	1.0
56.96565	40.2
57.03416	0.9
61.49223	0.6
65.14303	0.6
67.05498	1.7
69.07053	1.1
71.04993	0.6
71.60252	0.6
71.75504	0.6
78.81435	0.6
79.05494	0.9
81.03400	2.1
81.07038	2.2
83.08614	1.0
85.02882	1.8
91.05453	1.4
93.07053	1.3
95.04961	0.8
95.08573	1.7
97.06580	0.7
105.07019	1.7
107.04959	0.9
107.08564	0.6
109.10130	0.8
121.10146	0.7
133.33055	0.6
147.11696	1.2
160.76706	0.6
169.01761	2.1
175.11185	0.8
181.01700	1.1
187.02744	3.3
191.00139	1.2
193.01663	2.9
193.12196	2.3
195.03232	4.6
197.01224	1.1
203.00247	2.3
205.03870	0.7
206.99660	1.1
209.01210	2.9
211.02779	14.6
211.04791	0.8
211.13332	1.8
212.03099	0.6
213.04340	19.3
214.88306	0.6
218.04765	1.4
221.01128	4.1
226.01422	0.5
229.03795	3.3
231.05350	3.6
234.04347	1.6
236.05980	2.9
239.02260	60.2
240.02698	1.5
244.02885	1.8
244.20619	1.2
253.08606	0.7
257.03323	100.0
258.03732	2.2
259.03714	0.6
262.03867	22.9
263.04153	0.9
275.04456	3.3
280.04892	23.6
284.29553	0.7
285.05231	4.5
285.16989	3.2
285.21835	0.8
285.29819	1.0
303.06546	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.2632
Annotation	Octadecadiene-1,18-diol
Peak:m/z	Relative Intensity
53.03943	3.1
55.01861	4.6
55.05263	1.9
55.05514	25.8
57.03428	4.9
57.07079	12.8
58.06577	2.7
59.04991	2.1
59.21777	1.2
59.27480	1.2
64.73279	1.3
65.03935	2.3
67.05172	2.1
67.05505	28.1
69.03426	6.4
69.07069	39.1
69.58662	3.7
69.59082	6.3
70.06596	7.1
71.04975	5.7
71.08617	4.3
74.11387	1.1
77.32523	1.2
79.05479	12.0
81.03424	7.2
81.07056	70.1
83.04964	3.2
83.08138	2.1
83.08619	23.8
84.04501	5.4
85.02895	7.1
85.06530	9.6
85.10184	1.8
91.05472	6.4
93.07041	22.9
95.04966	9.0
95.08607	77.5
96.08924	2.4
97.02898	3.3
97.10164	13.7
98.21414	1.5
99.08076	7.3
100.11263	13.5
103.05479	1.7
105.07021	2.6
107.04932	3.7
107.08591	24.0
109.02878	5.8
109.10159	47.1
111.04430	5.6
111.08113	3.3
111.11723	6.0
112.07594	4.8
113.09645	4.9
116.98658	1.4
117.07023	1.8
119.04948	2.5
119.08595	1.8
121.02869	100.0
121.06480	6.8
121.10144	21.4
122.03210	4.7
122.10540	1.7
123.11715	23.7
125.09624	2.9
127.03886	2.9
129.12758	1.9
131.04907	1.5
131.08571	2.1
134.99730	1.6
135.11685	21.9
137.05974	2.5
137.13254	12.8
139.03899	12.0
139.11159	1.6
140.07098	2.5
140.10728	5.4
141.07159	1.3
145.10104	2.1
147.04402	15.3
149.09624	2.4
149.13245	19.4
151.14809	8.2
153.12700	3.2
154.12263	3.5
163.03859	2.8
163.11171	2.8
163.14822	15.2
165.16415	8.0
168.10220	3.8
171.14949	2.1
177.16386	10.4
181.04968	1.4
182.15359	2.5
183.17447	3.7
191.17932	9.8
191.50664	1.5
199.18054	1.8
207.09932	8.7
208.08417	3.7
209.11656	2.7
209.18962	1.5
210.07146	1.4
220.08389	2.5
235.09454	4.4
236.07982	2.6
237.08820	1.7
240.04900	1.3
240.07709	2.6
247.24220	39.1
248.24628	2.2
251.10428	1.7
255.18825	1.9
265.07336	2.8
265.10556	19.3
265.25394	8.1
266.08847	9.2
266.12622	1.5
268.07309	1.8
283.06015	1.6
283.09512	6.6
283.20499	2.3
283.26236	15.1
284.12778	5.6
284.23413	2.0
299.74478	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.0989
Annotation	Isoguanosine
Peak:m/z	Relative Intensity
55.01865	0.3
56.96564	1.3
57.03416	0.6
61.02918	0.3
67.05485	0.2
69.03407	0.5
69.90372	0.9
70.06580	0.5
71.01336	0.2
71.04974	0.1
73.02907	0.6
81.03391	0.1
84.08102	0.2
85.02913	1.0
91.05447	0.2
93.07048	0.2
95.04988	0.2
95.11195	0.1
97.02878	0.5
98.20793	0.2
98.97575	1.0
107.08576	0.1
109.05141	0.2
110.03531	1.3
110.97564	0.1
111.04482	0.2
115.03864	0.2
116.98576	0.7
119.01864	0.2
119.04910	0.3
121.06522	0.2
127.03846	0.3
128.04535	1.1
128.98639	0.3
133.04965	0.1
134.99638	0.5
135.03009	2.6
135.04149	0.2
135.04411	0.2
136.06200	0.5
136.07477	0.1
146.99634	0.3
152.05669	100.0
153.04076	8.0
153.05127	0.2
153.05991	0.3
154.02480	0.3
158.99696	0.2
161.01251	0.1
161.02927	0.2
163.03891	0.6
172.95197	0.2
177.00702	0.3
189.00725	0.3
196.54770	0.2
203.07434	0.2
219.01729	0.4
231.92740	0.2
237.02834	0.3
238.10742	0.1
239.02191	0.2
257.03381	0.4
261.03088	0.5
284.09839	0.3
284.12830	0.2
284.29370	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1539
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37802	3.5
53.03936	5.6
55.01869	35.4
55.05259	5.4
55.05509	62.7
57.03437	46.4
57.07072	7.4
59.04997	8.2
60.71022	3.4
67.05510	38.7
69.03424	5.9
69.07063	13.8
69.44677	19.2
69.45100	18.1
71.04976	9.5
79.05490	55.3
81.03402	30.9
81.07062	61.9
83.01347	36.8
83.04977	63.9
83.08620	33.5
85.02902	9.7
89.06008	3.9
91.05475	33.8
92.83174	3.8
93.07045	78.1
95.04956	25.0
95.08620	29.8
95.47196	3.5
97.02848	8.1
97.06532	16.4
99.04448	9.3
100.28944	4.0
103.05468	5.2
105.07037	37.9
106.07597	4.6
107.04949	54.4
107.08585	39.1
109.06526	24.9
109.10182	9.7
111.04417	8.8
115.05450	4.2
117.07005	23.6
119.04959	5.2
119.08584	23.0
121.02875	13.6
121.06503	16.0
121.10131	20.3
123.04402	4.1
123.08064	24.6
125.05974	8.5
125.09608	4.7
129.06990	6.2
131.08536	7.8
133.06537	7.0
133.10146	10.7
135.11679	42.5
137.09618	4.5
145.06497	18.8
145.09023	5.6
145.10133	46.9
147.04410	12.4
147.08073	9.8
153.12749	9.5
155.08574	5.6
161.06004	6.1
163.11186	76.9
171.04457	4.5
171.08018	6.6
173.05959	20.2
173.09622	12.5
177.05595	5.8
181.12234	11.1
191.08414	4.3
191.10707	13.6
197.09570	3.9
209.09682	7.6
209.11740	23.9
219.08101	7.7
223.07582	4.5
227.12781	17.3
237.09099	13.9
265.08514	9.1
283.09729	10.9
283.15143	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.2058
Annotation	11Z-6s-cis-fixed bicyclic retinal
Peak:m/z	Relative Intensity
55.05506	19.2
57.03425	3.9
57.07063	4.9
60.90586	2.3
67.05504	31.7
69.03418	5.4
69.07074	17.5
71.04979	11.0
71.60343	3.3
72.78098	2.2
79.05492	30.0
81.07056	47.1
82.07352	2.6
83.04978	6.1
83.08614	13.3
85.06515	3.8
91.05475	30.9
93.07047	58.4
95.04948	15.0
95.08612	33.8
97.06513	7.8
97.10149	2.9
103.05450	5.1
105.06387	3.6
105.07027	49.6
107.04926	6.4
107.08591	41.8
109.06516	11.3
109.10162	20.0
111.08058	4.4
115.05439	3.9
117.07010	18.5
119.04979	2.8
119.08575	44.7
121.06466	8.8
121.09317	4.1
121.10143	67.5
123.08047	5.5
123.11674	8.0
125.09627	3.6
128.06268	2.8
129.06978	7.9
130.07771	4.8
131.08560	41.5
133.10120	29.9
135.08061	11.6
135.11693	13.4
141.82388	2.4
142.07759	6.0
143.08551	17.2
144.09354	4.9
145.06502	23.9
145.10121	43.5
146.07245	4.2
147.04364	4.5
147.11662	10.9
155.05969	3.8
155.08586	4.8
156.09348	4.6
157.10121	15.2
158.10886	10.0
159.08014	3.7
159.11700	10.9
161.09615	21.7
161.13239	6.8
163.11157	9.4
163.14844	5.2
167.08560	3.3
168.09331	3.5
169.10069	6.6
170.10889	4.1
171.04385	3.8
171.11658	13.2
173.09644	3.0
173.11758	4.4
173.13260	89.3
174.13672	3.2
175.11279	4.0
175.14801	9.4
179.08554	8.4
181.10126	6.2
183.11661	8.2
185.09653	4.3
185.13220	9.8
187.11209	3.5
187.14799	10.9
189.05469	3.2
191.14304	17.2
193.10130	3.6
194.10889	5.9
195.11668	5.8
197.13174	5.2
199.11166	3.2
199.14821	10.1
201.12819	3.0
201.16341	3.2
209.13290	19.3
213.12776	3.1
213.16264	4.5
221.13071	3.2
223.14777	5.7
225.16411	5.3
227.14288	7.6
235.14752	2.6
250.17004	3.2
255.21080	7.8
265.19598	28.1
266.12433	2.8
283.15634	4.1
283.20523	100.0
283.28226	10.0
284.20822	4.5
284.29449	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	283.1538
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.3
55.01868	4.4
55.05507	8.8
57.03434	8.0
57.07064	1.8
59.60151	1.1
65.03901	1.1
67.05503	17.0
69.03409	1.3
69.07059	6.1
71.04998	1.7
71.08609	1.2
71.60407	2.1
79.05488	21.9
81.03398	3.1
81.07056	17.5
83.04967	3.5
83.08614	8.5
87.06849	1.4
89.06015	2.5
91.05465	8.5
93.07035	33.0
95.04956	6.9
95.08595	34.0
97.02890	4.4
97.06546	1.8
99.04453	2.3
105.07032	6.9
107.04958	17.6
107.08585	25.2
109.06543	1.8
109.10146	4.2
111.04436	2.1
113.05975	1.7
115.05425	1.2
117.06997	8.2
119.08563	10.1
120.87344	1.1
121.02834	2.3
121.06516	7.7
121.10136	13.0
125.05991	1.5
130.07794	2.1
131.04907	1.4
133.06496	1.8
133.10132	3.3
135.08073	2.6
135.11679	42.9
139.07571	1.4
145.06502	4.5
145.10110	24.7
147.04413	2.7
155.08507	1.6
163.11176	51.7
164.11526	1.9
171.04489	1.3
173.05992	3.4
173.09680	3.1
181.06427	1.4
181.12219	15.0
189.12608	1.4
209.09727	1.4
209.11676	3.3
219.07988	1.4
223.07515	1.3
227.12767	100.0
228.13136	2.5
237.09204	4.3
265.08640	2.9
283.06049	1.2
283.09766	3.4
283.15228	31.5
284.15463	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.154
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.4
55.01852	3.3
55.05516	7.6
57.03437	10.0
57.07060	2.2
65.03956	0.9
67.05502	12.7
69.03420	1.9
69.07063	7.1
70.31849	1.1
71.04965	1.3
78.61635	0.9
79.05073	1.1
79.05495	20.8
81.03394	2.6
81.07054	17.5
83.04961	4.2
83.08620	7.0
91.05485	8.4
93.06490	2.1
93.07045	34.2
95.04975	6.2
95.08607	31.2
97.02886	3.6
97.06507	3.7
97.10153	1.1
98.20673	1.4
99.04446	4.9
105.07027	6.8
107.04970	15.2
107.08599	26.1
109.06481	2.4
109.10145	1.6
110.10397	0.9
111.04440	1.9
111.08118	1.5
115.05443	1.3
117.07011	9.9
119.08592	8.9
121.02908	1.3
121.06512	6.9
121.10133	12.4
123.08054	0.9
125.05936	3.6
128.06198	1.2
129.06993	1.3
130.07727	1.5
131.04942	1.2
133.10083	2.2
135.08032	1.9
135.11691	39.3
139.07515	1.7
139.61409	0.9
143.04776	1.0
143.08635	1.1
145.06400	3.7
145.09050	1.7
145.10118	24.1
147.04272	1.3
161.77325	1.0
163.11183	52.2
173.09528	1.2
181.12228	11.7
209.11726	1.8
219.08182	1.3
225.15804	1.1
227.12781	100.0
228.13202	1.6
237.08957	3.7
240.68213	0.9
265.08435	2.3
283.09717	2.1
283.15317	31.4
283.20505	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	282.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68151	1.3
53.03924	2.4
55.01862	4.0
56.96550	5.2
57.03433	7.1
61.02923	8.5
67.05496	2.2
69.03426	16.4
70.01675	2.8
70.02094	3.9
71.04989	3.1
72.08123	1.3
73.02911	6.0
79.05460	1.3
81.03414	6.9
81.07043	1.5
84.08125	2.3
85.02901	100.0
85.06537	37.2
87.04443	4.2
88.07621	1.2
91.03960	7.5
91.05467	3.4
93.07060	1.7
95.04946	1.3
97.02882	21.6
98.97577	4.3
99.04446	3.9
103.03947	1.4
103.07572	7.6
105.69225	1.2
107.04935	7.1
109.02878	9.3
109.10135	1.4
115.03909	2.1
116.98589	4.2
119.04957	2.2
121.02825	1.8
127.03914	28.3
128.98596	1.5
134.09650	1.2
134.99648	2.0
136.06223	1.2
137.05945	2.2
145.04951	51.6
146.99646	1.6
151.07521	3.1
161.01262	1.2
163.03925	3.1
163.05995	17.2
177.00717	1.9
180.08644	1.7
204.05554	1.4
229.10661	6.7
237.02858	2.2
267.91013	1.3
282.22198	3.6
300.05984	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0965
Annotation	Eutypoid B
Peak:m/z	Relative Intensity
50.98307	1.8
55.01856	2.4
55.05503	5.4
56.39952	1.7
57.07061	5.0
63.35724	2.0
67.05486	4.1
69.03465	2.0
69.07056	5.8
71.08631	3.3
71.60751	2.5
79.05463	3.3
81.07043	3.4
83.08600	3.8
91.05480	5.7
93.07043	1.7
95.04960	6.9
95.08607	2.1
97.06542	2.1
97.10181	4.1
105.07002	1.8
107.04961	72.3
108.07204	1.8
115.05457	7.9
117.06997	14.9
119.04921	3.6
121.02859	14.3
121.06522	3.2
123.04431	11.4
131.04903	3.7
133.06497	5.7
143.04955	5.5
144.05702	13.8
145.06491	57.3
146.06825	1.9
147.04430	5.2
149.06024	6.4
155.06058	5.1
161.05995	5.9
163.03906	2.6
165.06995	2.3
166.07823	2.9
171.04393	17.0
178.07585	2.2
181.06474	7.0
181.10146	4.2
189.05528	8.5
190.07800	5.0
191.08578	22.7
194.07295	10.0
195.08185	2.8
197.09595	2.7
202.07791	4.2
205.06622	2.1
206.51456	1.7
209.09581	11.9
218.07350	5.4
219.08044	45.2
219.10112	2.9
220.08478	2.5
223.07497	4.4
229.07678	7.6
237.09103	100.0
238.09529	3.5
239.10724	3.8
248.24475	2.1
265.08618	19.3
265.25531	1.7
283.09665	49.2
283.16846	3.0
283.28510	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	282.1123
Annotation	Annolobine
Peak:m/z	Relative Intensity
53.65215	0.3
55.01851	0.6
56.19419	0.3
66.16353	0.3
71.61468	0.5
73.19679	0.3
76.35575	0.3
120.96320	0.3
147.04387	0.3
165.07011	0.4
166.07762	0.6
177.06911	0.4
178.07764	3.5
179.08554	11.2
180.53183	0.3
181.06410	0.4
181.10110	0.4
189.06975	4.4
190.07750	1.1
191.08537	2.8
193.06473	0.5
194.07339	0.8
195.08101	0.5
205.06502	0.5
206.07256	0.5
207.08043	37.8
208.08499	0.5
209.09528	1.7
217.06526	3.2
218.07289	1.1
219.08000	3.8
221.05960	0.8
234.10455	0.4
235.07533	15.8
236.08049	0.9
237.05490	0.3
237.09132	1.0
239.06886	0.5
247.07451	1.4
248.08339	0.6
265.08588	100.0
266.08960	2.2
267.06451	0.6
274.81256	0.3
282.08813	1.2
282.11282	19.8
282.21912	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.1124
Annotation	Galanthindole
Peak:m/z	Relative Intensity
70.26547	1.5
70.26952	1.2
72.46534	0.4
76.08997	0.5
126.27633	0.4
165.06987	0.6
171.74686	0.5
178.07823	1.2
179.08546	6.9
181.82881	0.5
189.06953	1.3
191.08595	1.2
194.07220	0.8
195.99255	0.5
205.06816	0.5
205.08832	2.5
206.09648	41.4
207.08052	18.9
207.10013	1.0
209.09558	1.8
217.06435	1.2
217.08888	0.9
219.08054	2.1
221.06117	0.5
234.06897	0.7
234.09119	18.4
235.07558	12.8
235.09691	0.6
236.08313	0.8
236.10608	1.2
237.09108	1.1
254.09831	0.6
263.09430	0.9
264.10193	100.0
265.08569	55.8
266.09079	0.9
282.11285	6.3
301.10245	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.2474
Annotation	Linoleic acid
Peak:m/z	Relative Intensity
52.42200	2.9
53.03922	3.6
55.01862	4.3
55.05264	4.5
55.05507	53.7
55.90513	2.7
57.07079	30.2
67.05502	47.0
69.07065	100.0
69.47109	17.7
69.47532	10.6
71.04993	5.0
71.08628	18.3
72.04504	3.9
79.05495	22.8
81.07051	67.0
83.04967	6.5
83.08136	4.6
83.08611	69.8
85.06526	7.6
85.10164	9.8
91.05457	18.2
93.07037	38.2
95.08595	57.9
95.09163	4.3
97.06529	14.6
97.09541	4.1
97.10163	71.2
98.20736	4.0
99.08099	3.2
99.88571	2.7
105.07035	21.5
106.87255	2.7
107.08578	18.8
109.10152	41.5
111.08105	7.2
111.11704	33.0
117.07028	4.5
119.05020	4.2
119.08562	29.1
121.02857	5.4
121.05502	2.6
121.10144	29.3
121.27232	2.6
123.07958	3.4
123.11707	23.8
125.09606	4.9
125.13243	14.2
127.11118	3.4
133.10114	33.8
135.11700	14.0
135.39590	3.0
137.09593	5.4
137.13239	7.3
139.11172	6.9
141.12750	3.0
143.10651	3.5
145.06473	4.5
147.04373	3.4
147.11632	20.7
149.13225	12.3
150.02605	4.3
151.11177	12.6
153.12727	8.5
159.04422	13.3
161.13271	22.2
163.14778	11.9
165.07024	3.6
165.12741	12.6
165.16341	6.8
167.14282	5.0
169.12222	3.7
173.05995	7.6
175.14796	10.8
177.05367	3.4
177.16319	3.3
179.08450	3.5
179.14288	7.8
179.17921	6.1
181.06360	4.0
181.15837	6.0
183.08067	7.2
183.13821	3.7
189.16362	8.8
191.08682	3.8
193.15877	9.2
197.05966	9.4
197.09509	3.3
197.13206	5.8
203.17923	3.5
207.08083	11.5
207.17471	7.3
211.07497	12.2
213.12758	9.0
219.08051	6.6
219.21101	4.1
221.09602	6.9
221.13322	5.8
221.22603	7.5
225.09125	26.0
233.09669	4.2
235.07567	5.4
235.14815	7.0
237.09120	6.7
245.22639	58.2
248.11990	4.8
253.15735	3.1
263.07053	4.5
263.14404	10.5
263.17926	8.0
263.23691	54.3
263.26221	3.5
281.08124	5.9
281.15338	52.0
281.18961	63.2
281.24988	4.1
282.15707	4.4
282.27988	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	281.1172
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	0.2
52.81347	0.1
65.03943	0.7
70.03540	0.8
79.05492	0.2
91.05478	9.7
95.10572	0.1
103.31802	0.1
103.66151	0.2
105.46087	0.1
108.14751	0.2
119.04943	24.9
120.05259	0.4
147.04407	100.0
148.04733	1.0
149.02397	0.2
223.97603	0.2
242.07550	0.2
277.51013	0.2
281.08145	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1536
Annotation	CHEBI:70699
Peak:m/z	Relative Intensity
53.03935	0.6
58.46926	0.2
58.87668	0.2
69.07057	0.3
69.99020	1.0
76.29800	0.2
79.05482	1.1
81.07048	0.3
91.05478	3.8
93.07049	1.7
95.04955	1.0
95.08586	0.6
98.21543	0.2
98.66991	0.2
103.12704	0.2
105.07028	5.3
107.04950	100.0
107.08595	0.7
108.05281	1.3
109.10168	0.3
117.07008	0.4
119.04939	0.8
119.08586	0.3
121.02855	0.3
121.10120	0.6
131.08580	0.6
133.06483	0.8
133.10123	18.7
134.10455	0.4
135.11662	0.3
145.06464	0.5
147.04401	4.4
149.09641	0.6
150.02684	0.2
159.08142	0.3
159.11662	0.3
161.05965	0.5
161.09644	0.3
171.08083	0.4
171.69786	0.2
173.09683	0.3
175.11182	11.6
176.11485	0.3
183.08112	0.3
184.80795	0.2
187.08937	0.2
195.08018	0.4
197.09599	0.8
201.80925	0.2
209.09576	0.3
218.19197	0.3
219.07895	0.3
221.09613	0.8
225.09175	0.3
225.12744	0.2
234.18570	0.3
239.10646	2.9
253.15857	0.9
263.07065	0.4
263.14282	0.6
281.08154	0.4
281.15356	9.1
281.18423	0.8
281.26660	0.4
282.15533	0.3
299.34711	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1748
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75245	2.2
53.03938	8.3
55.01862	6.9
55.05513	29.9
56.96560	2.9
57.03436	29.5
57.07061	7.5
65.03934	3.6
67.05505	86.2
69.03419	8.8
69.07073	19.8
69.93240	11.7
71.04984	5.3
71.08665	1.8
79.05492	89.7
81.03426	14.2
81.07056	70.0
83.04978	33.4
83.08609	12.1
85.02888	2.3
85.06554	5.3
91.05474	65.8
92.72045	1.9
93.07041	81.5
95.04968	28.7
95.08605	46.4
97.02905	6.5
97.06512	8.1
97.10143	6.2
105.07032	49.7
106.07341	2.3
107.04977	12.3
107.05586	2.2
107.08593	36.9
109.02860	2.7
109.06509	11.5
109.10143	14.9
111.08092	2.8
113.09694	2.6
116.98605	2.8
117.07039	13.3
119.08588	35.0
121.06515	5.1
121.10136	8.4
123.08100	9.4
123.11682	3.8
127.07563	3.7
128.06186	3.0
129.07010	19.9
131.08533	8.7
133.06480	3.6
133.10110	20.0
135.08069	6.6
135.11722	5.2
136.11186	6.7
137.05942	2.5
137.11990	6.4
138.12782	2.5
143.08528	12.1
144.09283	2.2
145.10121	29.3
146.02266	1.8
147.08026	3.2
147.11688	42.6
149.02338	2.7
150.02757	3.6
151.02884	4.4
158.10841	2.1
159.11719	15.8
161.05940	4.0
161.09613	4.7
161.13242	20.1
163.97646	2.1
165.06935	1.9
171.11687	35.3
173.13171	3.1
179.14343	2.1
181.04916	2.6
182.07257	2.9
186.14058	2.8
189.12703	11.8
191.08553	4.5
193.08656	2.2
201.16386	97.8
207.13814	12.0
209.66232	1.9
210.06702	2.7
218.19046	40.6
219.07990	2.7
221.07979	2.6
233.08176	2.9
234.18549	45.7
235.07475	7.3
235.19374	9.1
250.09665	5.1
253.08627	10.5
265.12268	5.9
274.38693	2.0
281.07922	9.6
281.10898	15.2
281.18475	100.0
282.18781	2.7
299.06195	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	279.2318
Annotation	Gorlic acid
Peak:m/z	Relative Intensity
50.49061	1.0
54.93041	1.1
55.05506	6.7
57.07060	3.0
65.03942	2.8
67.05504	100.0
68.05847	1.1
69.07067	7.4
69.91805	1.0
70.87395	2.2
70.87767	2.1
79.05490	12.5
81.07056	92.6
82.07365	2.1
83.04952	1.3
83.08601	6.3
85.06535	2.9
91.05486	3.7
92.75632	1.0
93.07055	13.7
95.08607	80.3
97.06504	1.7
97.10168	2.3
105.07036	2.7
107.08597	7.9
109.10152	23.4
110.26317	1.0
117.06993	1.4
119.08597	3.2
121.10174	6.2
123.08085	2.2
123.11707	16.6
131.08586	3.7
133.10153	2.4
135.11696	4.5
137.13234	11.8
145.10138	2.0
147.11688	3.7
149.02345	11.2
149.09607	1.8
149.13280	3.4
151.14809	3.9
159.11699	3.0
161.13232	1.5
163.11163	1.6
165.16396	1.2
170.62531	1.2
173.13228	5.2
177.12704	2.0
181.12177	1.3
187.14827	2.9
191.14302	2.9
195.13843	3.4
205.15787	1.1
209.15361	3.7
223.16948	4.1
243.21059	2.7
261.22180	3.9
279.23212	24.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	280.227
Annotation	Micropine
Peak:m/z	Relative Intensity
52.57196	1.0
55.05496	4.6
56.96543	1.6
57.07070	7.2
58.07406	2.3
60.04510	5.5
64.32868	1.3
65.03943	1.3
67.05499	12.3
69.07066	9.2
69.65835	8.1
71.04963	1.1
79.05486	10.0
80.91097	1.2
81.07049	26.0
83.08594	2.5
86.95515	1.2
91.05479	14.8
93.07044	26.1
95.04996	1.9
95.08609	50.0
97.10152	1.4
98.21436	1.2
100.63564	1.1
105.07028	53.1
107.08595	43.4
109.09459	2.2
109.10156	33.6
109.10906	2.1
109.85775	1.2
110.10427	1.2
117.06997	1.6
119.08576	29.9
121.10142	21.3
122.03138	1.6
122.09657	2.6
123.11682	8.0
133.10126	27.7
135.11684	5.2
137.13245	1.7
145.10184	1.9
147.04451	1.8
147.11676	37.7
149.02347	31.0
150.01509	1.8
150.02672	29.6
151.66638	1.2
159.11729	1.1
161.13197	13.2
175.14781	8.6
176.14403	1.6
193.68536	1.2
203.17944	87.1
204.18272	1.7
220.20604	24.5
221.20956	1.5
230.68819	1.3
262.21661	100.0
263.22052	2.6
280.06805	1.8
280.10098	2.7
280.20270	15.9
280.22864	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	281.0808
Annotation	3-Methylflavone-8-carboxylic acid
Peak:m/z	Relative Intensity
53.60233	0.4
55.01869	1.4
61.01590	0.4
69.07078	0.5
70.67901	0.8
70.68268	0.8
80.88554	0.3
81.03422	0.6
81.07058	0.4
91.05476	0.5
95.04868	0.4
95.08606	0.6
103.05463	1.7
107.04953	0.7
113.03911	0.7
115.05491	0.4
121.02872	0.8
131.04935	2.1
141.03343	1.6
141.07034	0.4
147.04352	0.8
149.02351	1.0
150.02644	0.7
151.02881	0.5
153.06915	0.5
155.08490	0.5
159.04414	2.1
160.05202	4.6
165.06979	2.2
167.08519	0.4
177.05469	1.6
177.06868	0.5
178.07764	3.0
179.08548	6.5
181.06485	1.0
182.07324	0.8
183.08055	3.1
187.05045	1.6
189.07001	8.6
190.07710	0.7
193.06519	0.7
197.05977	0.9
197.09587	0.7
205.06538	0.5
206.07219	0.7
207.08034	21.4
208.08345	0.7
210.06790	1.6
211.07501	2.6
213.05453	0.8
217.06454	3.6
218.07173	1.7
219.07965	0.7
221.05974	1.9
225.05382	0.4
225.09120	2.0
234.06689	2.0
235.07526	37.6
236.07875	1.7
239.07048	3.2
245.05994	1.2
253.08600	8.9
263.07031	30.8
264.07434	2.1
279.06476	0.6
281.08072	100.0
282.08444	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.193
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	0.7
56.96554	0.3
57.07073	12.0
65.03934	0.7
67.05515	1.7
69.07069	0.7
69.42160	1.1
69.42596	1.6
79.05484	0.9
81.07056	2.9
83.08590	0.5
85.02880	0.3
91.05471	0.9
93.03439	0.4
93.07037	1.2
95.04980	0.3
95.08588	2.7
97.02872	1.9
97.10149	0.4
98.21487	0.5
98.97574	0.9
105.07014	0.9
107.08588	0.8
109.10130	1.1
111.04442	0.4
116.98616	1.1
117.07004	0.4
119.04929	0.4
119.08584	0.8
121.02860	3.9
121.10143	0.8
123.08038	0.5
123.11712	0.5
131.08563	0.4
133.10129	0.4
134.99660	0.9
135.11732	0.4
145.10129	0.9
146.99634	0.5
147.04355	1.7
147.11658	0.4
147.20790	0.3
149.02333	88.4
150.02686	1.4
153.00661	0.3
159.11693	0.6
161.13220	1.0
167.03410	3.2
177.00708	1.4
178.07767	1.1
178.73010	0.3
181.04971	0.4
189.00633	0.5
189.06886	0.4
190.05003	1.0
190.07751	0.5
191.08540	0.4
201.16379	0.7
203.08411	0.4
205.06555	0.5
205.08588	1.3
206.07236	0.9
208.08907	0.5
218.07274	0.5
219.17368	0.5
221.09676	3.5
223.11380	0.4
234.06758	0.9
247.07513	0.3
249.09073	1.8
264.07794	0.6
279.10349	8.7
279.19287	100.0
280.10486	0.7
280.19711	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2318
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
53.03942	1.0
55.05511	7.7
57.07072	2.5
65.03940	2.7
67.05503	100.0
68.05831	1.2
68.48655	0.3
69.07066	8.6
70.09699	1.5
71.04987	0.9
71.08608	0.3
78.53053	0.3
79.05491	9.8
81.07054	99.3
82.07384	1.2
83.04973	0.9
83.08610	3.9
85.06535	1.0
91.05463	2.6
92.23157	0.3
93.07040	8.9
95.04942	0.4
95.08603	75.5
96.08939	1.5
97.06538	1.5
97.10158	2.4
105.07017	2.7
105.09747	0.3
107.08590	5.7
109.06535	0.8
109.10153	43.0
110.10504	1.0
111.08090	0.9
111.11716	0.6
113.06018	0.5
117.07011	0.9
119.08564	2.3
121.02880	0.4
121.10137	5.0
123.08072	1.1
123.11708	23.4
124.12030	0.5
127.07524	0.6
131.08568	2.8
133.10143	2.4
135.08058	0.5
135.11678	4.1
137.09608	0.9
137.13243	7.9
138.13580	0.4
141.09094	0.3
145.10132	2.1
147.11693	2.1
149.02339	11.3
149.09612	1.1
149.13258	2.5
151.11179	0.7
151.14803	1.7
153.09100	0.4
159.11673	1.8
161.13268	1.5
163.11226	0.7
163.14812	1.1
165.12785	0.7
165.16370	0.3
167.10696	0.4
169.12221	0.3
173.13266	2.7
175.14825	0.4
177.12709	1.0
177.16257	0.3
181.12257	1.0
187.14804	1.6
190.35933	0.3
191.14328	0.8
195.13844	1.5
201.16371	0.4
205.15833	0.6
209.15454	1.6
219.21043	0.3
223.16933	1.7
237.18440	1.0
243.21069	1.4
261.22134	2.4
261.89944	0.3
279.23184	29.7
280.23520	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2318
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	2.6
55.05509	7.1
55.89183	0.7
57.03450	0.7
57.07070	13.4
65.03937	1.4
65.89600	0.8
67.05502	26.9
69.07066	8.8
69.86512	4.5
71.04973	1.6
71.08627	33.9
79.05489	9.5
81.07050	33.8
82.07370	0.6
83.04981	2.6
83.08627	5.1
85.06536	1.7
85.10172	0.7
89.17487	0.7
91.05474	9.0
93.07034	10.1
95.04971	1.5
95.08601	24.0
97.06514	5.3
97.10170	3.0
98.20802	1.2
99.08084	28.4
105.07024	9.6
107.08588	6.8
109.06548	0.7
109.10143	9.7
111.08080	1.1
113.09682	1.4
117.07020	1.4
117.89600	0.7
119.08595	6.5
121.02827	3.8
121.10136	6.6
123.11684	4.6
125.09624	1.0
127.11185	1.8
128.94305	0.7
131.04919	1.3
131.08586	2.8
132.10213	1.5
133.10112	2.3
134.10934	1.2
135.11703	5.3
137.13239	4.8
139.11093	0.9
141.07005	1.6
143.10556	0.6
145.06480	1.6
145.10095	3.4
147.11674	20.7
148.12074	0.9
149.02335	90.6
149.09602	1.7
149.13272	2.2
150.02689	2.7
151.14792	1.2
152.06247	2.1
153.06960	3.1
153.12730	4.5
155.08641	0.6
157.56831	0.7
159.04478	0.8
159.11743	1.3
161.13275	2.5
163.10013	0.8
163.11145	3.6
163.14784	4.5
165.07030	3.7
165.12741	9.7
166.07777	1.0
167.03407	2.4
167.08531	4.2
167.14352	2.1
169.06552	1.6
173.05952	1.1
173.13293	2.9
177.12672	0.9
178.07761	1.3
179.08528	2.1
180.05702	1.1
180.09157	1.0
181.06467	13.3
181.10069	1.2
181.15854	4.6
182.07072	0.7
183.07953	0.8
184.05197	1.0
187.14893	1.1
190.05005	1.4
191.08502	1.4
192.09404	0.7
193.06580	1.4
193.10162	3.0
194.07222	6.5
195.08038	19.1
195.13655	0.8
196.08516	1.2
197.05966	15.8
202.07784	1.8
203.08534	3.8
204.09343	1.8
205.06595	1.0
205.08585	1.3
206.07321	2.8
207.08023	1.6
207.11736	1.3
208.05266	1.2
208.08870	1.5
209.05974	1.0
209.09570	3.4
211.07516	23.8
212.07835	1.2
217.10159	2.5
218.10913	2.1
219.08054	5.1
219.11626	2.8
220.08768	2.6
221.06004	2.9
221.09557	11.5
222.06705	7.0
222.10089	1.0
223.07526	27.5
223.17004	0.8
224.07994	2.1
231.07976	3.4
233.09756	0.9
233.13237	1.5
233.22618	1.2
234.10342	0.7
235.07524	3.0
235.11153	12.1
236.08325	6.2
236.11836	4.8
237.09094	12.2
237.12675	7.2
243.11774	1.0
243.21054	6.5
245.09659	1.8
246.10440	6.1
249.09007	2.3
250.09901	0.8
251.14415	1.5
261.12723	21.5
261.22134	9.4
262.13159	2.4
264.11447	2.5
279.13785	100.0
279.23175	36.3
280.14096	9.4
280.23761	1.2
284.29465	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1074
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78068	1.3
55.05508	4.2
55.77969	1.3
57.03436	10.8
57.07064	6.8
59.05002	2.3
61.02915	3.3
69.03430	14.2
71.01353	3.3
71.04994	21.3
71.39530	3.3
73.02916	14.4
75.04480	11.1
81.03392	2.1
83.04977	8.7
85.02904	100.0
87.04453	2.1
95.55426	1.7
97.02901	18.5
101.06004	2.0
111.04454	5.7
115.03935	20.3
119.71632	1.6
121.02891	3.2
129.05470	20.6
133.04935	3.0
139.03908	3.1
147.06509	12.6
149.02345	58.3
157.04936	2.1
171.06557	3.9
225.07536	6.2
243.08720	2.7
279.10663	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	279.1074
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	1.0
55.05503	2.5
57.03434	8.3
57.07069	14.4
61.02923	2.5
62.79490	0.7
65.03953	1.1
67.05502	1.9
69.03426	9.8
69.07064	1.4
69.53783	2.3
69.54209	5.5
71.01349	2.7
71.04994	12.3
72.90306	0.8
73.02919	8.7
75.04475	6.7
77.84132	0.8
79.05484	1.6
81.03420	2.4
81.07063	4.2
83.04987	6.0
85.02898	64.4
87.04469	2.5
87.41911	0.8
88.54752	0.8
91.05498	1.7
93.03427	0.9
93.07063	1.2
95.04958	2.0
95.08590	3.2
95.72358	0.7
97.02890	14.2
97.06460	0.9
98.20719	0.9
98.97583	1.6
99.04472	0.8
101.05979	1.2
103.03947	1.7
105.07028	1.6
107.04963	2.0
107.08582	1.0
109.06477	1.0
111.04453	4.4
114.04363	0.8
115.03917	13.6
115.16599	0.8
119.04955	1.1
119.08585	1.0
121.02862	4.4
121.03975	0.9
121.10175	1.2
123.11761	1.1
127.03912	0.9
127.38728	0.8
128.47949	0.8
129.05466	15.6
131.08559	1.7
133.05006	0.8
133.06488	1.2
136.26834	0.8
139.03909	3.6
145.10106	1.4
147.06534	9.7
147.11725	1.3
149.02333	100.0
151.03888	1.4
159.11594	1.1
165.07585	1.6
167.03404	2.4
171.06505	1.4
191.08549	1.4
205.08571	1.3
219.08096	1.1
223.07484	1.2
225.07619	2.8
243.08684	1.9
248.08260	1.0
251.07042	2.7
251.10667	2.0
261.09656	1.1
279.10263	4.6
279.15967	2.5
280.09683	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1074
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	2.5
55.05505	2.5
57.03431	10.4
57.07072	13.4
61.02909	1.8
61.24343	1.1
67.05502	1.6
68.46648	1.1
69.03423	13.0
69.52374	10.2
71.01335	1.7
71.04989	14.9
73.02914	13.0
73.63513	1.1
75.04114	1.2
75.04485	13.5
81.03446	2.4
81.07029	2.7
83.04980	8.2
85.02901	92.8
87.04468	3.6
97.02887	17.9
97.29812	1.2
99.04460	1.6
105.07025	3.2
111.04457	7.4
113.02373	1.3
113.05992	1.2
115.03923	26.5
121.02837	4.4
123.04400	1.3
127.03934	2.7
129.05473	18.2
133.04919	2.2
133.10162	2.6
139.03880	4.6
147.04460	1.5
147.06506	12.6
149.02335	100.0
157.05003	1.5
161.09616	1.9
167.03415	2.1
171.06520	2.9
193.06532	1.3
221.11571	3.4
225.07581	4.2
236.08414	1.9
243.08655	3.9
249.10968	1.9
251.07068	10.4
252.10153	3.3
261.09741	1.4
261.14850	1.2
264.09821	3.6
279.12292	17.2
279.15488	1.7
280.09619	18.2
286.46930	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.0389
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11973	0.8
53.03940	1.0
55.01855	1.2
56.96564	7.5
57.03422	2.3
57.07059	3.8
58.06596	2.1
59.06118	1.4
61.02923	1.2
63.74631	1.0
69.03412	5.3
70.11654	4.2
71.95264	1.3
73.02889	2.5
81.03404	4.7
85.02905	11.3
86.82602	0.8
87.98382	0.8
91.03939	1.2
97.02906	4.7
98.97579	100.0
99.04415	1.4
99.09222	1.4
105.36942	1.0
109.02892	3.7
110.97573	18.8
116.98616	72.3
119.01933	4.8
121.01687	5.4
121.02901	1.5
127.03894	3.0
128.98596	27.8
131.00171	0.9
131.01892	1.7
134.99649	36.9
137.02931	1.8
139.02675	1.8
140.00197	1.5
143.00185	1.7
143.01888	1.1
145.03441	1.5
145.04987	1.3
146.99652	22.8
149.01187	1.9
149.02336	26.8
153.00748	5.6
153.03891	1.2
157.03394	1.5
158.01239	2.3
158.02454	1.2
158.99648	32.0
159.03186	2.0
161.01169	1.8
161.02939	1.6
163.02682	1.5
165.00716	4.5
169.03452	2.4
170.99655	9.2
171.05093	1.6
173.02911	2.8
177.00710	77.0
177.04169	2.3
183.05107	1.2
185.02953	1.9
187.04520	3.0
189.00705	34.9
190.05968	1.1
195.01755	10.7
198.05580	2.9
199.06346	1.2
200.02322	3.5
201.06061	1.1
207.01767	22.4
208.06813	1.6
212.02345	1.0
215.03966	2.2
217.48712	0.9
219.01765	10.2
225.02802	1.6
230.03397	1.9
237.02835	9.6
249.02771	1.7
255.03839	5.8
275.06082	8.2
276.06293	1.2
277.07703	1.4
279.04236	16.8
279.07614	3.9
279.15475	17.5
295.08841	2.1
297.04901	2.5
297.08609	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	279.1014
Annotation	Dihydroisotanshinone II
Peak:m/z	Relative Intensity
55.22835	0.2
56.13128	0.2
62.96737	0.2
66.70779	0.2
70.73301	0.7
80.85829	0.2
96.01211	0.2
106.26538	0.2
108.20649	0.2
113.09768	0.2
149.02312	1.0
152.06212	0.3
165.06934	1.0
177.07124	0.2
178.07764	12.9
179.08292	0.4
180.09334	0.7
182.07298	0.2
189.06987	3.7
190.07761	3.3
191.08549	1.9
192.09355	0.8
193.06497	0.5
193.10075	0.6
202.07767	2.0
203.08499	1.3
205.06490	3.4
206.07271	11.1
207.07954	0.5
208.08832	3.4
209.09598	0.3
216.05695	0.5
217.06419	1.0
218.07277	5.3
219.08055	1.7
220.08818	1.1
221.09610	37.8
222.09964	0.7
223.11145	3.1
227.06322	0.2
230.07320	0.3
231.08002	0.7
233.09587	2.3
234.06744	8.8
235.07463	1.5
236.08287	3.0
237.05376	0.3
246.06789	0.5
247.07439	1.0
248.08290	1.5
249.09108	25.7
250.09531	0.9
251.07001	0.2
251.10699	1.4
252.07813	0.4
259.08743	0.3
261.09134	1.7
262.09860	0.8
263.07089	0.8
264.07843	2.6
277.08569	0.6
277.17453	0.3
278.09311	0.5
279.10153	100.0
280.10526	2.4
287.49194	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.0389
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11973	0.8
53.03940	1.0
55.01855	1.2
56.96564	7.5
57.03422	2.3
57.07059	3.8
58.06596	2.1
59.06118	1.4
61.02923	1.2
63.74631	1.0
69.03412	5.3
70.11654	4.2
71.95264	1.3
73.02889	2.5
81.03404	4.7
85.02905	11.3
86.82602	0.8
87.98382	0.8
91.03939	1.2
97.02906	4.7
98.97579	100.0
99.04415	1.4
99.09222	1.4
105.36942	1.0
109.02892	3.7
110.97573	18.8
116.98616	72.3
119.01933	4.8
121.01687	5.4
121.02901	1.5
127.03894	3.0
128.98596	27.8
131.00171	0.9
131.01892	1.7
134.99649	36.9
137.02931	1.8
139.02675	1.8
140.00197	1.5
143.00185	1.7
143.01888	1.1
145.03441	1.5
145.04987	1.3
146.99652	22.8
149.01187	1.9
149.02336	26.8
153.00748	5.6
153.03891	1.2
157.03394	1.5
158.01239	2.3
158.02454	1.2
158.99648	32.0
159.03186	2.0
161.01169	1.8
161.02939	1.6
163.02682	1.5
165.00716	4.5
169.03452	2.4
170.99655	9.2
171.05093	1.6
173.02911	2.8
177.00710	77.0
177.04169	2.3
183.05107	1.2
185.02953	1.9
187.04520	3.0
189.00705	34.9
190.05968	1.1
195.01755	10.7
198.05580	2.9
199.06346	1.2
200.02322	3.5
201.06061	1.1
207.01767	22.4
208.06813	1.6
212.02345	1.0
215.03966	2.2
217.48712	0.9
219.01765	10.2
225.02802	1.6
230.03397	1.9
237.02835	9.6
249.02771	1.7
255.03839	5.8
275.06082	8.2
276.06293	1.2
277.07703	1.4
279.04236	16.8
279.07614	3.9
279.15475	17.5
295.08841	2.1
297.04901	2.5
297.08609	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	279.0386
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42588	0.8
53.70301	0.9
54.29491	0.8
56.96556	15.8
57.03433	2.4
57.07069	9.1
60.04514	1.7
61.02922	2.4
62.23423	0.8
62.57517	1.0
69.03415	4.0
70.06601	4.5
70.15655	2.0
70.16051	1.7
71.04971	1.2
71.95237	1.5
73.02943	1.9
81.03428	2.0
81.07024	1.4
83.04951	1.0
84.96032	2.0
85.02903	8.8
85.04028	0.9
90.05533	1.4
91.05492	2.7
95.08591	1.5
96.35743	0.9
97.02876	4.6
98.21478	1.0
98.97575	100.0
109.02892	1.7
110.07166	1.8
110.97567	17.2
111.04469	1.0
112.99115	1.7
115.02461	1.3
115.05096	1.1
116.07095	6.2
116.98613	79.4
119.01893	2.0
119.04938	2.4
121.01660	1.8
121.02876	2.6
127.03934	1.6
128.98598	36.7
130.17400	1.0
131.00206	3.3
133.03467	1.6
134.06059	1.4
134.99648	42.1
136.07597	2.2
137.05968	1.2
139.03929	2.1
140.00172	1.2
143.00182	1.3
146.99643	29.6
149.01286	2.5
149.02332	68.4
151.07570	1.1
153.00703	6.3
158.01218	1.9
158.99643	30.7
159.03252	2.1
161.01253	3.7
163.02663	1.7
165.00696	5.7
167.03418	1.5
169.04399	3.3
170.05214	2.2
170.99663	10.6
177.00700	90.0
178.04979	1.2
181.05037	1.5
185.01210	1.0
189.00705	37.8
190.98672	1.7
194.05154	1.3
195.01730	11.8
200.02338	3.7
201.00690	2.1
207.01750	27.4
211.02846	2.3
212.02274	1.3
219.01723	10.0
219.05194	1.2
219.07907	1.6
225.02835	2.0
230.03384	0.9
237.02806	14.2
247.04829	1.1
249.02884	2.1
249.08693	1.1
255.03996	5.7
255.06500	1.0
256.02789	1.1
274.04227	1.0
279.03870	14.7
279.07132	1.0
297.04910	5.2
297.08575	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	278.2115
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19490	1.6
55.05513	7.7
56.96556	1.7
57.03427	2.1
57.07075	13.6
64.92670	1.5
65.71559	1.4
67.05504	9.7
69.03454	1.5
69.07060	10.5
69.94621	9.1
74.20521	1.7
77.40683	1.6
77.95255	1.6
79.05486	6.1
81.07050	24.6
83.04993	3.0
83.08617	9.2
84.65212	1.4
85.02923	1.6
85.06540	1.9
91.00769	1.6
91.05467	11.0
93.07038	25.8
95.04987	1.8
95.08606	41.1
97.06537	2.6
97.10172	2.5
98.20830	2.9
105.07035	22.4
107.08599	27.9
109.10138	12.7
111.08080	2.1
116.98641	1.7
117.07011	6.1
119.08576	29.8
121.02869	4.8
121.10129	14.1
123.11690	7.0
125.05959	2.5
125.09611	2.5
131.08565	15.5
133.10133	20.5
135.11685	18.0
143.08586	3.2
145.10120	34.9
147.04419	3.7
147.11679	14.9
149.02341	100.0
149.09619	2.8
149.13269	2.9
159.11694	28.3
161.13248	18.0
163.11246	3.1
163.14789	2.2
167.03455	2.8
173.13255	15.6
175.14828	3.6
189.16367	31.1
191.17899	7.7
201.16380	70.9
201.18262	3.7
206.95758	1.6
207.17433	6.2
219.05827	2.2
219.17459	45.2
236.19963	1.8
237.18495	75.2
250.08649	1.9
260.09631	1.6
278.08096	6.6
278.18137	1.8
278.21127	27.7
279.09735	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	277.2164
Annotation	Stearidonic acid
Peak:m/z	Relative Intensity
51.02383	1.0
53.03932	3.1
55.05515	17.0
57.07056	3.2
65.03925	1.6
67.05504	29.5
69.07069	15.5
70.94930	1.9
71.04978	2.9
71.08588	1.0
73.06570	0.9
77.03918	1.0
79.05493	68.6
81.07057	33.4
83.04976	1.2
83.08620	8.5
85.06540	1.5
87.01848	0.9
91.05481	27.0
93.07045	100.0
94.07365	1.0
95.04951	8.7
95.08601	25.0
97.06511	2.6
97.10167	4.2
101.06026	0.9
105.04510	1.1
105.07032	13.7
107.08593	50.8
109.06499	2.0
109.10170	10.9
117.07005	3.9
119.08579	9.2
121.10141	47.6
123.11686	2.6
129.06918	1.0
131.08540	3.5
133.10141	13.3
135.11690	50.3
135.48146	0.9
137.09602	1.1
143.08572	2.2
145.10126	2.6
147.11678	7.3
149.09604	2.1
149.13268	23.9
151.11018	1.0
157.10109	1.8
159.11688	4.2
161.13263	5.1
163.11147	1.5
163.14839	6.9
171.11693	3.2
173.13261	2.0
175.11218	1.4
175.14804	1.6
181.12292	1.1
185.13277	2.1
189.12793	1.5
193.12248	1.5
195.13773	2.0
207.13765	1.6
213.16446	2.1
221.15324	5.1
235.16957	6.4
241.19479	1.8
248.06766	0.9
259.20575	5.5
277.21631	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	277.2161
Annotation	Stearidonic acid
Peak:m/z	Relative Intensity
51.02356	0.9
53.03932	2.8
55.01867	1.5
55.05267	1.1
55.05510	16.5
57.03436	6.4
57.07062	3.0
60.92332	0.9
63.69439	1.1
64.78558	1.0
65.03912	1.3
67.05500	32.9
68.02879	1.1
69.03439	1.1
69.07066	14.8
70.12303	4.4
71.04992	1.8
71.73608	1.0
79.05487	57.0
81.06577	1.8
81.07053	36.6
83.04954	1.2
83.08617	7.6
85.06529	2.7
91.04887	1.3
91.05474	26.3
93.07039	83.2
95.04972	5.4
95.08610	32.4
97.06519	3.3
97.10152	3.2
99.08083	1.9
105.07028	16.9
107.08588	48.1
109.06496	2.8
109.10156	12.6
111.08061	1.4
117.07007	5.9
119.08582	15.8
121.10136	47.2
122.51260	1.1
123.08096	2.1
123.11692	3.2
125.09595	1.5
129.06946	1.3
131.08533	7.3
133.10129	12.5
135.08005	1.2
135.11684	42.7
137.09583	2.6
139.11191	1.7
143.08577	2.2
145.10089	6.7
147.11700	8.7
149.02296	1.0
149.09642	2.5
149.13251	24.6
151.11189	1.8
157.10109	2.9
159.11644	4.9
161.05984	1.1
161.13205	4.7
163.11227	1.6
163.14793	6.0
167.10626	1.2
171.11665	3.2
173.13234	3.5
175.14806	3.3
177.12840	1.8
181.12248	2.3
185.13242	3.3
187.14821	4.3
191.45337	1.3
195.13820	2.9
199.14888	2.4
203.14339	1.3
203.17920	1.4
205.15794	2.9
207.13809	2.7
213.16362	2.9
221.15411	3.4
221.18970	2.0
235.16946	3.6
241.19482	3.9
259.20609	7.4
277.18472	3.1
277.21606	100.0
278.21964	2.4
296.43167	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2162
Annotation	Stearidonic acid
Peak:m/z	Relative Intensity
53.03936	3.5
54.46576	1.0
55.01862	1.4
55.05509	16.0
57.07066	2.8
65.54868	1.0
67.05176	1.9
67.05504	29.6
69.07066	14.1
70.95118	3.1
71.04990	3.0
71.82613	1.0
77.03897	1.2
79.05493	69.9
81.07054	33.0
83.04958	1.2
83.08606	6.7
85.06516	1.5
91.05482	26.9
93.07041	100.0
95.04958	7.4
95.08044	2.2
95.08602	23.9
97.06521	1.6
97.10187	5.6
99.08054	1.2
105.04491	1.9
105.07040	12.6
107.08593	49.6
109.06504	2.8
109.10137	15.1
117.06989	4.1
119.08572	10.1
121.10145	42.3
123.08081	1.7
123.11694	3.6
125.09611	1.3
127.07549	1.0
129.06976	2.2
131.08542	3.0
133.10143	8.6
135.07938	1.3
135.11694	59.3
141.43056	1.0
143.08545	2.3
145.10159	2.6
147.11687	8.3
149.09613	2.1
149.13249	25.8
152.46782	1.1
157.10112	2.1
159.11659	2.6
161.13278	5.0
163.11130	1.7
163.14784	6.8
165.12764	1.0
171.11641	2.0
173.13297	2.8
175.14815	1.5
181.12196	1.7
185.13292	1.6
189.12813	1.7
195.13908	1.6
195.39076	1.2
199.14867	1.6
207.13832	3.2
213.16429	1.6
214.25822	1.4
221.15366	2.6
223.64819	1.3
235.16885	4.2
235.19255	1.2
259.20624	4.2
277.21616	88.7
278.22003	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2161
Annotation	Stearidonic acid
Peak:m/z	Relative Intensity
53.03930	3.0
55.01854	1.6
55.05510	16.4
57.03184	1.2
57.03436	13.9
57.07061	4.9
65.03934	1.7
66.25388	0.8
67.05502	33.0
69.07064	13.5
71.04971	2.0
71.08274	1.2
71.08627	12.3
71.53389	1.1
73.06532	1.1
78.76189	0.7
79.05491	45.3
81.03401	1.7
81.07053	43.3
83.04994	4.6
83.08613	7.0
85.06533	4.7
91.05472	25.4
92.34657	0.8
93.07039	75.7
95.04977	7.3
95.06630	0.8
95.08604	36.9
97.06537	4.3
97.09616	0.7
97.10149	5.1
99.04465	0.7
99.08092	11.7
105.07027	18.3
107.04934	2.2
107.08591	43.1
109.06503	6.0
109.10157	14.0
111.08066	3.3
113.05958	0.9
113.09657	2.0
117.07010	4.4
119.08575	17.8
121.10139	40.6
123.08042	4.4
123.11698	2.6
125.09610	1.7
129.06995	2.2
131.08569	10.6
133.10129	13.9
135.08081	1.5
135.11691	38.4
137.09633	4.3
139.11115	1.6
141.09099	1.1
143.08542	1.2
145.10126	8.2
147.08029	1.6
147.11690	9.1
149.09593	2.6
149.13251	17.4
151.11180	8.0
153.12691	1.1
157.10133	2.6
159.11710	6.3
161.13231	7.5
163.11165	3.9
163.14781	3.8
165.12785	2.3
167.10661	1.7
171.11636	3.1
173.13242	2.8
175.14842	4.2
177.12726	2.9
177.16331	1.3
179.10663	1.4
179.14293	16.0
181.12354	2.0
185.13205	3.6
187.14812	12.4
189.12732	1.2
195.13820	2.0
199.14793	1.8
203.14342	1.4
203.17946	2.7
205.15854	7.5
207.13745	1.7
221.15378	3.4
221.18973	3.2
231.17445	1.2
231.20946	0.9
235.16887	6.6
241.19557	5.5
259.20538	13.2
277.18311	5.4
277.21613	100.0
278.22134	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2161
Annotation	Stearidonic acid
Peak:m/z	Relative Intensity
51.02367	0.8
53.03928	2.5
54.44827	0.6
55.01853	2.8
55.05507	12.2
55.45472	0.8
57.03425	1.6
57.07063	3.4
67.05503	30.0
69.03439	1.1
69.07066	11.8
71.04987	3.1
71.08630	16.6
71.59427	1.2
72.39576	0.7
79.05492	32.8
81.03424	4.5
81.07057	29.8
83.04969	2.8
83.08611	6.8
85.06528	1.4
88.81693	0.7
91.05481	19.4
93.07041	46.7
95.04964	9.6
95.08607	20.0
97.06520	4.4
97.10155	2.7
99.08093	13.8
105.06394	1.0
105.07034	14.7
107.04943	3.8
107.08591	23.7
109.06551	3.7
109.10156	10.0
111.08073	2.3
117.07012	4.0
119.08588	9.8
121.06512	2.2
121.09303	1.3
121.10143	15.9
123.08050	2.6
123.11701	3.1
125.09647	1.5
129.06987	2.8
130.07838	0.8
131.08568	4.5
133.10109	8.4
135.08061	2.3
135.11687	16.7
137.05984	1.0
137.09610	1.6
141.12743	2.3
143.08546	2.7
145.10130	4.8
147.04445	1.4
147.08009	1.1
147.11671	9.0
147.37906	0.8
149.02359	1.8
149.09601	1.3
149.13271	10.0
151.11169	8.2
157.10109	2.2
159.01968	0.8
159.11720	3.3
161.09601	2.0
161.13255	7.9
161.70845	0.7
163.11203	11.7
163.14803	4.4
165.05656	0.8
165.12750	1.8
169.12257	1.4
171.11649	3.4
173.13222	2.2
175.11243	1.9
175.14862	4.4
177.12740	1.2
177.16335	1.0
179.10576	1.2
179.14308	4.1
181.12253	1.0
185.13188	2.5
189.12721	2.0
193.12259	1.1
193.15884	1.1
198.17865	0.7
199.14799	2.5
203.14388	0.8
207.13789	2.7
217.19434	1.1
221.15359	3.4
231.12640	1.3
231.21060	2.8
235.16927	4.8
241.19502	5.5
245.18881	0.8
259.09671	1.8
259.20554	12.1
277.18387	3.9
277.21619	100.0
278.08160	1.4
278.21808	2.3
288.78055	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.032
Annotation	Unknow
Peak:m/z	Relative Intensity
55.92812	5.4
56.81665	5.8
69.43177	6.6
69.43772	48.4
72.74048	5.4
101.00894	11.8
119.01933	28.6
121.01693	10.0
137.02954	9.3
143.01892	10.5
145.03477	13.9
157.03471	15.1
161.02988	29.1
171.03304	7.8
175.04533	9.8
185.02989	12.2
245.05045	12.5
277.03268	100.0
277.07507	41.9
295.08792	49.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0321
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31932	3.2
56.96551	23.8
57.44447	3.3
58.06554	3.2
69.03401	5.1
69.42940	7.3
69.43349	25.9
70.06592	4.9
73.02914	5.2
73.08410	3.7
81.03405	7.4
83.29015	3.2
84.96008	5.0
85.02882	10.9
97.02872	14.4
98.20776	6.1
98.97584	21.7
99.04486	3.3
101.00871	16.4
103.02333	3.6
109.02879	7.5
112.99087	4.9
114.06635	5.3
115.02438	4.2
115.06989	6.2
116.98613	14.4
119.01136	6.1
119.01918	73.1
119.02704	6.7
121.01695	7.5
127.03862	3.8
128.98592	10.6
131.00179	9.8
131.01930	10.3
133.03438	13.0
134.99603	7.9
137.02960	23.2
139.02734	5.8
143.01883	14.2
145.03461	18.8
146.99608	5.0
147.03136	4.5
149.01198	12.8
155.01892	5.6
157.03456	24.6
158.99695	5.9
159.05045	4.2
160.02240	3.9
161.02948	96.6
163.02728	4.9
163.04379	5.0
173.01407	3.6
173.02982	13.3
175.03029	6.0
175.04517	32.3
177.00705	13.6
178.04910	13.4
179.03922	3.7
185.02988	18.8
187.04500	10.9
189.00719	4.4
189.04457	5.8
191.02199	4.7
196.06731	9.9
197.03008	8.4
203.03955	16.8
217.05635	8.9
219.01768	7.3
234.98772	3.5
235.01303	3.3
237.02785	18.1
245.05058	40.8
249.02913	4.5
259.06723	4.7
263.06091	6.9
277.03473	26.9
277.07709	100.0
277.17865	4.3
295.08981	67.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2007
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03932	1.3
55.01874	3.5
55.05512	17.2
57.03423	2.0
57.07064	1.3
59.04994	0.7
62.86135	0.4
65.03925	1.6
67.05504	24.6
69.03419	1.2
69.07070	7.3
71.04990	2.3
71.62563	0.5
73.06549	0.6
79.05495	32.4
81.03433	0.8
81.07058	18.9
81.77884	0.5
83.04977	1.9
83.08623	5.3
85.06534	1.5
88.07594	0.5
91.05481	28.5
93.07040	21.0
95.04972	3.8
95.08051	0.7
95.08610	9.2
97.06525	1.5
97.10161	4.8
103.05478	0.9
105.07031	36.4
107.04954	21.2
107.08597	22.2
109.06502	2.0
109.09453	0.9
109.10155	12.4
111.08064	1.4
114.33350	0.5
115.05482	0.6
117.07013	9.7
119.04929	0.4
119.08584	23.4
121.06555	2.2
121.10143	10.1
123.08016	1.4
123.11720	2.6
125.09635	4.8
127.03889	0.5
129.07004	2.1
131.08557	11.2
133.10136	28.2
135.08076	4.2
135.11699	3.1
137.09630	1.9
141.06961	0.6
143.08543	1.8
145.10114	10.9
147.04420	0.7
147.08072	1.1
147.11688	17.3
149.09618	42.3
150.09947	0.9
151.07593	0.6
151.11168	0.9
153.09091	1.9
155.08513	1.3
155.10681	0.7
157.10144	1.8
159.11702	6.7
161.09631	0.9
161.13269	5.0
163.11162	1.9
165.09074	0.6
165.12723	0.7
167.10626	1.1
169.10112	1.4
169.12265	2.0
171.10316	0.7
171.11697	2.4
172.95239	0.6
173.11719	3.4
173.13271	3.8
175.11157	1.0
175.14864	0.7
177.12726	1.4
179.10570	0.6
179.48805	0.5
181.12202	0.5
183.11742	1.7
185.13303	0.9
187.11180	1.8
187.13240	1.4
187.14868	1.5
189.12825	0.8
193.12183	0.8
197.13225	1.9
199.14713	0.5
201.12744	0.9
205.12241	0.7
211.14835	0.5
213.16502	0.6
215.14165	0.6
215.17976	1.8
219.13739	0.7
228.97916	0.5
229.19492	6.0
233.15378	1.6
239.17953	3.6
246.98962	0.9
247.20515	2.4
257.19003	14.4
275.20059	100.0
275.27679	3.8
276.20343	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	275.2005
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03925	1.0
55.01854	1.3
55.05262	0.6
55.05510	6.7
57.03434	10.7
57.07067	1.2
64.27424	0.4
65.03934	0.5
67.05500	10.3
69.03442	0.5
69.07066	5.5
69.31264	2.3
69.31698	2.5
71.04974	1.3
79.05061	0.8
79.05488	11.6
81.07055	11.8
83.04960	1.0
83.08624	3.2
85.06549	2.2
91.05476	24.4
92.13686	0.5
93.06477	0.7
93.07041	13.5
95.04959	2.0
95.08053	0.7
95.08601	9.6
96.08858	0.4
97.06534	1.8
97.10142	1.0
99.04462	0.4
99.08096	2.2
103.05467	0.5
105.07027	35.2
107.04923	2.1
107.08588	9.1
109.06509	3.2
109.10154	3.1
111.08067	1.3
113.05984	0.9
113.09602	0.6
115.05499	0.5
117.07012	8.3
119.08574	26.8
121.06498	2.2
121.10134	5.9
123.08067	2.1
125.09609	1.0
127.03897	0.6
129.06985	4.3
131.08562	10.1
133.10120	18.0
135.08026	2.0
135.11650	2.5
137.09583	1.0
139.11121	0.6
141.06984	0.7
143.08549	4.5
145.10115	9.8
147.08051	1.4
147.11682	16.7
149.09619	6.7
149.13281	1.0
151.11180	0.7
155.08524	1.3
157.10135	4.5
159.11681	10.5
161.09579	1.4
161.13248	4.5
163.11205	3.5
169.10124	1.9
171.11661	2.6
173.09573	0.5
173.13257	4.2
175.11142	0.8
175.14873	2.5
177.12729	1.7
183.11699	3.3
185.13249	15.8
186.13557	0.5
187.11186	0.6
189.12746	0.7
191.14262	1.2
197.13216	2.0
199.14828	1.1
201.12718	0.7
201.16344	3.2
203.14316	10.6
211.14844	1.3
213.19380	0.5
215.14331	0.6
219.17426	6.8
228.97998	0.5
229.19516	1.8
239.17931	5.3
247.20728	1.3
257.19003	14.9
275.20047	100.0
275.27872	1.9
276.16180	0.7
276.20377	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	275.2006
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03942	1.5
55.01866	1.0
55.05508	9.0
57.03436	5.7
57.07055	2.9
57.56756	0.7
61.29493	0.8
67.05180	0.9
67.05505	12.3
69.07066	8.6
69.92265	4.6
70.06578	2.5
71.04988	1.4
78.27101	0.8
79.05491	10.9
81.07059	10.3
83.04971	1.2
83.08611	6.7
85.06538	2.1
88.07600	4.1
89.07945	0.8
89.73688	0.8
91.05485	29.8
93.07044	12.5
95.04963	2.5
95.08607	10.7
97.06531	1.6
97.10159	1.6
103.05445	1.0
105.07031	45.7
106.08647	2.1
107.04985	1.4
107.08572	6.4
109.06496	2.3
109.10149	3.5
111.08035	0.9
115.05399	0.9
117.07022	8.2
119.08583	32.9
121.06512	2.0
121.10152	3.6
129.07014	3.0
131.08557	10.8
133.10135	21.6
135.08073	1.5
135.11682	1.8
143.08551	3.7
145.10135	9.6
147.11691	24.0
149.09598	4.0
155.08568	0.9
157.10129	3.6
158.87811	0.8
159.10451	1.1
159.11700	13.8
161.13275	8.4
163.11232	1.4
169.10081	2.2
171.11734	1.9
173.13243	5.1
174.24788	0.8
175.11169	1.0
177.36357	0.9
183.11699	2.1
184.07233	1.0
185.13261	7.2
189.12820	0.9
197.13232	1.4
201.16370	1.2
203.14352	6.8
219.13753	0.9
219.17522	1.7
229.19502	0.9
239.18027	4.7
240.32597	0.9
249.61159	0.9
257.19019	9.5
257.26688	2.2
275.20071	100.0
275.27768	38.9
276.20514	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2005
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
50.10830	1.2
53.03933	2.2
55.01871	10.4
55.05505	12.6
57.03426	5.6
67.05504	25.5
69.07063	13.2
69.39768	2.4
69.40171	11.9
71.04982	1.4
79.05495	21.3
81.03371	1.9
81.07056	42.3
83.04977	2.2
83.08617	4.7
91.05481	43.9
93.07037	19.4
95.01334	1.7
95.04948	5.1
95.08605	16.3
97.06535	15.8
97.10160	2.5
100.30087	1.3
103.05454	1.5
105.07031	67.8
107.04944	7.6
107.08586	12.0
109.06525	7.4
109.10157	8.1
110.20387	1.6
117.07009	11.1
119.08581	36.0
121.04140	1.5
121.06480	1.5
121.10149	7.0
123.08057	2.3
123.11674	1.8
129.06984	3.1
131.08580	15.7
133.10130	45.4
135.08023	3.1
135.11685	3.0
137.09636	1.8
143.08549	2.4
145.10115	11.9
147.07985	1.5
147.11707	15.9
149.09615	5.9
149.13286	2.8
151.11230	1.7
157.10124	4.2
159.11699	5.9
161.09685	1.5
161.13232	3.0
163.11179	1.9
171.11722	3.4
173.13237	4.2
175.11151	1.7
175.14754	1.9
185.13211	2.0
197.13310	1.7
201.16360	2.0
203.14305	4.5
215.18039	1.5
219.17485	18.7
247.20607	2.8
257.19070	8.5
275.20065	100.0
275.27765	5.5
276.20416	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2005
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
55.01852	1.1
55.05508	9.0
57.03439	5.2
57.07064	1.4
66.13292	0.6
67.05505	11.6
67.68226	0.7
69.07066	7.0
69.83561	3.0
70.06581	1.9
71.04997	0.7
71.08609	0.7
79.05492	10.7
80.78406	0.6
81.07056	12.1
83.04972	1.1
83.08631	5.7
85.06531	1.7
88.07624	2.9
89.07959	0.9
91.05478	26.2
93.07035	10.4
95.04958	1.2
95.08604	9.7
97.06516	1.4
97.10211	0.8
101.10369	0.6
102.09134	1.0
103.05448	1.2
105.07027	39.8
105.12822	0.7
106.08652	1.9
107.04925	0.7
107.08591	6.8
109.06502	2.6
109.10133	3.3
111.08076	1.1
113.06010	0.7
117.07006	7.6
119.08576	32.4
120.08891	1.0
121.06478	1.0
121.10146	3.9
123.08062	0.8
129.06995	2.4
131.08557	9.5
133.10126	19.3
135.11668	2.6
141.06966	1.0
143.08507	3.8
145.10136	9.8
147.11682	23.4
148.07191	0.6
149.09639	1.8
149.13229	0.7
155.08568	1.1
157.10115	2.7
157.55383	0.7
159.11685	14.0
161.13242	8.9
163.11145	1.3
169.10136	1.7
171.11678	1.6
173.13275	5.6
175.14790	1.5
177.12697	0.8
183.11674	2.2
184.07184	0.8
185.13234	7.0
197.13242	2.4
201.16354	1.8
203.14313	6.9
204.77519	0.8
219.13733	0.9
219.17287	1.5
229.19429	1.0
233.15459	1.0
239.18015	3.2
241.62604	0.7
257.18994	10.1
257.26669	1.2
275.20056	100.0
275.27725	27.9
276.20288	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	275.2006
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03925	0.9
55.01844	1.0
55.05513	11.0
55.10711	0.8
56.96559	1.2
57.03423	0.8
57.07059	2.7
65.03936	1.2
67.05504	12.9
69.03413	1.2
69.07062	6.8
69.94279	4.3
70.06579	2.9
71.04986	1.4
71.06889	1.2
79.05493	13.2
81.07053	15.9
83.04983	0.9
83.08613	4.8
85.06555	1.2
88.07610	2.3
89.07968	1.4
91.05480	36.0
93.03390	0.6
93.07046	12.2
95.04961	2.6
95.08603	9.7
97.06503	1.7
97.10159	1.9
103.05455	1.2
105.07028	54.6
106.08652	1.3
107.04950	1.7
107.08588	13.5
109.06499	1.3
109.10158	5.1
111.08068	0.9
111.99986	2.0
113.84387	0.7
117.07001	7.9
118.07718	0.8
119.08575	26.6
121.00476	8.0
121.06463	1.3
121.10147	4.7
123.11658	1.0
125.09624	1.4
129.07016	2.8
130.00974	1.0
130.07762	1.0
131.08559	11.5
132.51245	0.9
133.06448	1.0
133.10129	38.1
135.08032	1.3
135.11667	2.7
137.09615	1.9
138.68774	0.7
141.07022	1.0
143.01787	3.1
143.08528	1.7
145.10130	16.3
146.10895	0.9
147.04414	1.4
147.08002	1.1
147.10498	1.0
147.11684	20.8
149.02342	0.9
149.09636	5.0
154.52570	0.9
157.10126	2.5
159.08080	0.8
159.11696	7.4
161.13274	5.1
163.00438	1.1
163.11198	1.7
167.99699	2.4
169.10100	1.3
171.11682	3.5
172.00941	1.5
173.11923	0.6
173.13266	3.2
175.11195	0.9
177.00226	5.7
181.06453	0.8
183.11700	1.9
185.13318	1.2
189.90256	0.7
197.13252	2.0
199.14778	0.9
201.12704	1.1
208.02074	1.2
211.14703	1.2
215.17836	0.9
217.02539	5.4
217.52821	1.1
219.13844	0.7
229.19485	1.0
239.17902	3.6
252.04619	1.9
257.18967	9.9
257.26648	1.4
261.05142	3.8
261.55585	1.0
263.55389	2.0
275.20062	100.0
275.27731	30.7
276.20377	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	275.0779
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.8
55.01855	2.4
55.05475	1.9
56.05007	1.8
56.96565	26.2
57.03424	5.0
61.02921	4.8
67.05498	3.0
69.03422	13.1
70.06561	3.8
70.28074	3.9
70.28465	5.2
71.04983	4.1
72.08138	5.0
72.84700	1.5
73.02907	9.4
73.08469	1.9
73.75505	1.7
79.05501	2.3
81.03404	6.2
81.07059	2.1
83.04988	1.9
84.04521	3.5
84.08138	4.1
84.96034	4.4
85.02903	23.9
87.04459	3.4
91.03987	1.7
91.05481	21.7
92.05807	2.2
92.14184	1.4
92.24132	1.9
93.07032	2.0
95.04995	3.8
97.02888	14.9
98.21430	1.9
98.97573	29.7
99.04433	3.9
105.07045	2.3
107.04945	4.2
107.08580	4.4
109.02859	5.3
109.06544	2.0
110.97568	5.2
112.27780	1.7
113.07111	2.6
115.05483	1.6
116.98619	32.9
117.02074	2.0
119.01910	13.7
119.04947	23.9
119.08556	2.3
120.05264	2.3
121.02858	2.4
121.06493	1.7
123.04425	3.3
125.07118	4.2
127.02329	1.7
127.03897	7.6
128.98557	9.6
131.00146	3.8
131.01837	2.6
133.00204	1.5
133.03528	1.8
133.10135	2.0
134.99657	24.1
135.04427	4.0
136.06177	2.3
137.02951	7.8
137.05980	14.8
138.06317	2.4
143.00142	2.1
143.01904	2.9
145.03473	8.8
146.99638	12.9
147.04396	7.2
149.01257	3.7
149.06007	2.9
151.04085	1.8
151.07523	17.5
153.00716	3.7
155.03539	1.9
157.03546	2.2
157.06418	3.2
158.99680	4.0
161.01207	5.1
161.02853	2.2
162.99115	3.7
163.04010	2.3
165.00702	3.7
167.02110	2.1
169.03371	9.8
170.99654	4.5
171.05081	2.9
175.04147	1.8
177.00726	12.4
178.03757	11.6
181.00107	2.5
185.03040	3.5
185.04646	4.3
185.06094	2.9
187.02824	2.9
187.04459	15.2
189.00700	7.9
190.98703	2.4
191.03772	3.4
194.03581	2.0
194.05170	7.9
197.02986	2.0
197.05940	2.0
198.04688	2.8
200.04471	2.7
201.00706	2.2
201.05515	3.9
203.04051	2.4
204.05466	2.2
205.05554	2.2
207.05270	3.0
208.04947	2.8
208.99605	2.0
210.06459	2.9
211.02710	3.1
211.04634	1.8
213.05742	1.9
217.05486	5.9
219.01775	8.4
223.01262	2.2
229.00172	6.2
229.05014	12.8
229.08673	1.9
233.80019	2.1
235.02696	3.2
237.02785	11.0
245.08099	2.8
247.01367	2.6
247.06590	3.4
250.56476	1.8
261.02844	2.3
266.07379	8.0
269.05365	2.8
274.97528	7.7
275.06241	17.7
275.11017	100.0
275.27725	2.0
292.98544	5.1
293.07248	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	274.9752
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02193	0.4
51.79731	0.3
56.96562	15.5
57.97358	0.4
65.91000	0.3
70.06691	1.8
70.95848	0.5
71.95254	2.0
82.26300	0.3
84.96020	0.3
95.04950	0.6
98.17117	0.3
98.97576	59.5
101.00235	0.4
101.00892	1.2
116.98611	77.0
118.99057	0.4
119.01912	10.9
121.02861	1.4
130.93283	1.0
131.01912	0.5
133.03497	0.5
134.99651	80.4
135.46309	0.4
137.02945	5.5
140.00189	2.5
143.01947	0.7
145.03459	5.2
148.94327	0.9
153.00699	17.4
153.86948	0.4
157.03435	2.2
158.01248	4.8
160.04517	0.5
161.02962	2.3
163.04559	0.8
169.03458	5.8
171.04976	1.4
172.94429	1.9
173.02969	0.7
174.97554	0.7
175.04512	1.4
176.02307	1.1
177.00955	2.8
178.01019	0.8
178.97133	0.5
185.02934	3.1
187.02864	0.3
187.04504	9.1
189.06039	0.5
190.95381	7.6
191.04079	0.4
192.98683	1.4
195.05151	0.5
197.02971	1.6
197.95160	0.6
198.06155	0.4
203.02435	1.0
203.04044	1.2
205.05605	1.5
205.63994	0.4
208.96423	5.5
210.06085	0.5
211.04510	0.8
213.06020	0.5
213.97044	0.5
214.95393	1.0
215.03908	2.2
216.98711	3.0
219.01996	3.2
220.02145	1.4
220.98289	0.5
221.01782	1.4
221.03259	0.5
229.05530	4.1
230.98341	0.7
231.03484	0.4
232.96400	8.3
233.05066	0.6
233.98128	0.5
234.99734	7.6
235.99722	0.6
247.02985	0.7
247.06624	2.7
249.99234	0.8
250.97466	6.9
255.98108	0.7
256.96384	13.2
257.05057	1.7
258.01535	0.6
261.03033	1.1
270.04672	0.7
273.98804	0.5
274.27274	0.7
274.97473	100.0
275.06113	14.4
275.97809	0.5
277.00708	0.5
292.98480	80.9
293.07300	2.8
293.98953	0.8
297.99045	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	275.0614
Annotation	Unknow
Peak:m/z	Relative Intensity
55.79633	0.3
58.99870	0.5
62.19151	0.3
65.03934	1.1
67.05509	1.9
69.03436	1.1
69.59166	0.3
70.13818	1.4
71.49832	0.3
82.99900	1.2
83.04980	1.8
86.99339	0.7
93.03391	1.0
95.04965	3.1
96.09428	0.3
97.02917	1.4
101.00871	11.5
103.02457	0.8
105.00348	0.7
107.03502	0.5
109.00480	0.3
109.01419	1.0
111.04450	1.8
115.02460	0.7
119.01916	56.2
120.02050	0.7
121.02866	4.8
121.03685	0.3
125.04488	0.9
127.02397	5.9
129.04015	1.0
131.01900	1.2
131.65546	0.3
133.03462	1.7
137.02950	17.7
139.02385	1.0
139.03918	1.0
141.03932	0.8
142.03517	1.4
143.01872	1.9
143.05554	1.1
145.03456	46.3
146.03607	1.1
147.01357	0.8
147.04999	0.8
151.02484	0.9
153.03938	1.5
155.01923	0.5
157.03462	9.6
157.68303	0.3
158.03674	0.4
159.05016	1.3
161.02960	5.8
161.04312	0.4
161.06599	1.4
163.04524	4.6
167.01947	1.0
168.05086	0.7
169.03459	33.5
170.03641	1.2
171.01376	0.9
171.05028	7.4
173.02933	0.7
175.04507	5.1
179.01901	1.2
183.05064	0.7
185.02957	15.0
185.06552	0.9
186.03043	0.4
187.04510	49.0
188.04662	1.1
189.02501	1.4
189.06078	1.5
193.03407	0.4
195.05005	3.1
197.02951	7.8
199.04578	0.4
201.06049	0.4
203.02052	0.7
203.03993	6.3
205.05568	7.7
208.27594	0.3
210.06029	1.8
211.04568	2.6
213.02563	0.8
213.06035	2.9
215.04001	10.6
221.02937	2.4
229.05563	31.6
230.05830	0.7
231.03455	1.8
231.07080	0.7
233.05098	0.4
238.05487	0.4
239.03995	1.9
247.06630	25.4
249.04620	1.6
252.07304	0.3
257.05124	2.7
270.08218	1.3
274.28647	0.3
275.06107	100.0
276.06259	2.6
293.07147	26.4
294.07394	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.2577
Annotation	Trixagoene
Peak:m/z	Relative Intensity
55.05509	15.5
57.07074	7.2
57.19169	1.1
67.05163	1.8
67.05504	23.2
69.07072	36.8
71.03435	3.3
71.08623	1.7
79.05500	14.0
81.07058	67.7
83.08617	13.6
91.05486	11.3
93.06474	1.9
93.07050	35.3
95.04962	2.3
95.08611	68.7
97.10162	10.0
105.07037	20.6
106.72104	1.1
107.07861	2.4
107.08599	49.5
109.10160	51.2
111.11712	4.3
119.04931	4.3
119.08582	21.7
121.10149	48.8
121.11038	2.1
123.11712	44.1
125.13311	2.0
133.10141	16.2
135.11699	35.8
137.13249	12.4
147.04411	11.0
147.11682	18.4
149.13264	48.5
151.14816	7.8
153.01837	23.6
159.91791	1.3
161.13261	26.4
163.14835	28.2
165.16422	3.7
175.14836	15.6
177.16408	16.2
189.16402	20.2
191.17950	9.2
203.17963	18.3
205.19547	1.5
211.90781	1.3
217.19514	28.8
231.20996	2.4
273.07571	16.3
273.25781	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2419
Annotation	Axerophthene
Peak:m/z	Relative Intensity
53.62680	0.6
55.05518	5.0
57.07063	2.9
57.65112	0.7
66.24615	0.7
67.05225	0.8
67.05500	8.2
69.06721	1.0
69.07063	10.7
70.17803	3.7
71.08624	1.7
77.08375	0.7
79.05492	4.8
81.07055	21.9
83.08627	6.0
91.05476	6.3
93.07043	12.2
95.08605	23.5
97.10141	2.5
101.59745	0.7
104.36935	0.8
105.07027	17.2
106.17605	0.7
107.04908	1.8
107.08594	21.0
109.10151	18.7
117.07013	2.6
119.08574	20.7
121.10139	17.3
123.11694	9.1
129.07013	1.1
130.07756	1.1
131.08568	8.1
133.10124	13.3
135.11697	10.2
137.13232	2.6
143.08604	0.9
145.10115	14.3
145.11165	0.7
147.11690	12.8
149.13255	7.9
153.01778	1.7
157.10112	1.2
159.11681	18.2
161.13242	11.9
163.14821	7.8
171.11649	1.4
173.13269	10.8
175.14828	9.6
177.16370	4.6
186.14015	1.1
187.14799	9.8
189.16373	5.4
200.83513	0.8
201.16373	12.3
203.18069	1.3
215.17952	17.0
229.19547	4.6
235.11447	1.0
243.20932	1.1
271.06027	11.6
271.16809	2.2
271.24194	100.0
272.24454	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2268
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.1
54.93547	2.1
55.01864	2.5
55.05510	74.1
56.83827	1.8
56.96579	2.4
57.03430	3.7
57.07076	17.6
58.17504	1.7
59.11458	1.7
65.03914	2.3
65.95415	1.8
67.05502	47.0
69.07065	100.0
69.52171	4.1
69.52573	14.6
71.04986	7.1
71.08634	5.6
79.05492	20.8
81.07056	89.3
82.05566	2.2
83.04990	5.5
83.08136	4.3
83.08617	63.9
85.06548	6.2
85.10173	2.7
91.05473	17.5
93.07043	34.1
95.04946	2.1
95.08604	77.6
96.08923	2.7
97.06539	12.9
97.10165	60.7
98.97582	4.9
99.08102	6.9
105.07024	19.2
107.08584	20.8
109.06535	4.3
109.10154	34.2
111.08085	3.5
111.11723	29.0
112.00023	1.9
119.08578	21.1
121.10129	31.8
123.08096	3.0
123.11694	15.1
125.09615	5.4
125.13268	9.6
125.99804	1.9
129.09119	3.3
131.08533	1.8
133.10130	27.9
135.11685	34.5
137.09637	8.4
137.13245	6.5
139.11191	9.5
139.14793	2.1
140.75316	1.8
141.08952	1.8
147.11668	18.0
149.13278	7.7
151.11166	13.3
151.14825	8.4
153.07010	2.6
153.12749	11.2
155.08524	2.2
159.11703	2.7
161.13257	17.6
165.06998	6.6
165.12730	9.5
168.05698	2.8
169.12421	2.1
175.14803	6.4
179.14345	6.0
183.08058	4.4
189.16379	2.8
191.17931	3.0
193.19502	4.7
196.05191	10.1
197.05927	2.6
211.07533	24.7
212.07964	2.3
213.05309	7.5
217.19519	51.7
218.32275	2.2
225.05547	2.7
227.06969	3.3
228.07419	16.3
235.20567	39.1
239.07068	13.7
240.07855	13.0
253.21667	18.7
256.06985	13.8
271.06088	18.5
271.09576	64.8
271.24521	3.1
272.10004	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	271.2268
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	3.1
55.05508	63.3
57.03425	2.7
57.07077	22.0
67.05501	56.7
68.99792	3.8
69.03436	4.9
69.07064	100.0
70.15813	2.2
71.04978	6.3
71.08615	4.4
72.20485	2.4
72.47775	2.4
78.06266	1.9
79.05497	21.8
81.03411	3.3
81.07054	77.9
83.04971	4.7
83.08140	4.2
83.08614	57.1
85.02905	2.4
85.06522	8.1
91.05487	25.0
93.07036	28.2
95.04980	4.1
95.08604	79.0
97.06530	13.4
97.10168	56.6
98.97601	5.6
99.08112	5.4
103.05470	2.7
105.07030	22.3
107.04938	6.5
107.08595	23.0
107.90677	2.0
109.02879	4.6
109.10148	37.3
111.08080	8.1
111.11714	22.3
113.09618	2.5
116.98621	3.7
119.04918	8.5
119.08574	25.7
121.02866	4.8
121.10139	31.4
123.04376	3.5
123.08028	4.5
123.11710	20.0
125.09632	5.9
125.13223	9.8
129.06963	2.0
131.08548	2.7
133.06490	4.7
133.10124	22.7
134.99597	3.1
135.11681	28.8
137.05978	3.4
137.09604	8.4
137.13235	11.7
139.11166	8.2
141.06990	3.8
142.07687	2.0
145.10110	4.4
147.04396	2.1
147.11690	20.3
149.02293	6.8
149.13226	10.5
151.11191	5.6
151.14781	6.9
152.06218	2.5
153.01801	7.5
153.06952	6.5
153.12700	8.5
155.08516	6.6
155.10602	2.4
157.67534	2.2
159.04349	2.2
159.11670	4.2
161.05865	3.4
161.13257	16.1
163.14769	3.6
165.07011	23.0
165.12718	8.6
168.05717	3.2
169.06380	4.6
171.02953	2.2
173.05981	3.2
173.13263	3.3
175.14819	8.2
179.14337	5.4
181.06451	6.5
182.07167	2.9
183.08066	12.7
185.13254	2.7
189.16403	2.8
193.15871	3.8
193.19531	5.8
196.05241	3.6
197.05983	2.9
210.06821	4.0
211.07506	13.6
215.06960	12.4
215.17760	2.6
217.19502	38.8
221.05884	4.8
221.47304	2.4
225.05533	3.7
235.20580	35.7
239.06927	4.0
243.06509	7.0
247.57288	3.2
253.04924	3.7
253.21622	19.8
256.07303	3.1
271.05988	85.0
271.09619	47.1
271.13406	3.3
271.24197	8.9
272.06348	6.9
272.09747	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1693
Annotation	9,9'-Diapo-10,9'-retro-carotene-9,9'-dione
Peak:m/z	Relative Intensity
55.01859	5.7
55.05494	5.1
57.07067	4.6
59.46721	3.4
64.02760	3.3
65.42020	3.5
67.05478	8.6
69.03424	5.3
69.07055	7.6
71.04974	18.1
71.23792	7.5
79.05497	17.1
81.07074	22.6
85.06527	5.0
91.05477	20.9
93.07040	46.2
95.04970	11.1
95.08607	23.0
95.96249	3.6
103.05470	3.6
104.91255	3.4
105.07030	61.9
107.04958	10.0
107.08590	37.1
109.05789	5.4
109.06518	100.0
109.10194	4.6
111.08096	5.8
114.02969	3.7
115.05479	5.4
117.06996	7.6
119.04916	14.9
119.08593	18.7
121.02890	6.6
121.06530	4.0
123.08101	6.1
123.11709	11.2
128.06201	8.8
129.07022	11.4
130.07773	5.8
131.08566	30.6
133.06499	3.8
133.10159	7.8
135.08049	54.2
137.09601	19.1
141.06976	5.9
142.07803	6.3
143.08557	34.7
144.09326	4.1
145.10132	32.7
147.03334	3.7
147.04388	21.8
147.08038	11.0
149.09612	22.3
153.01871	7.5
153.07001	4.6
155.08536	21.7
156.09332	10.7
157.06464	4.1
157.08955	4.0
157.10118	19.4
159.11714	15.3
161.09665	4.2
165.06989	17.2
167.08499	7.8
168.09305	8.1
169.10139	21.8
170.02455	5.8
170.10834	7.1
171.11670	49.2
173.09622	8.6
179.08505	7.7
180.09367	14.4
181.05289	8.5
181.10144	7.1
183.03081	7.1
183.11732	13.3
185.13254	14.0
187.11151	5.9
188.03477	3.7
191.10669	5.6
195.03235	7.2
195.11702	59.4
196.12376	6.4
197.09599	3.9
198.10448	7.6
199.06340	27.6
201.12764	8.0
205.10132	5.5
209.13281	5.8
211.11217	7.4
211.14833	26.8
213.04546	4.3
213.12755	62.0
221.80196	3.2
222.07967	7.8
225.05026	3.1
229.15866	13.2
235.14754	6.1
243.05325	26.2
248.05995	15.8
253.15871	21.0
266.06989	39.2
271.05988	96.8
271.16867	43.6
272.06314	7.5
289.08701	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	271.0963
Annotation	Dihydroformononetin
Peak:m/z	Relative Intensity
55.01849	1.2
57.07065	0.7
63.00619	0.5
65.03925	1.0
67.05479	0.9
68.99776	0.7
69.03396	0.5
71.62184	1.0
79.05474	1.1
79.87190	0.5
81.03361	0.5
81.07038	1.1
85.02904	0.6
91.05458	1.5
93.07029	1.1
95.04980	2.8
95.08592	0.9
97.02914	0.5
103.05466	4.9
104.09782	0.5
105.07037	2.8
107.04949	43.3
107.08614	0.6
109.10162	0.5
111.04440	1.4
115.05460	0.6
116.98541	0.5
119.04923	1.1
121.02861	29.5
121.03849	1.0
121.06451	2.5
123.04429	6.9
131.04013	0.8
131.04927	10.2
133.06491	8.4
135.04388	0.7
137.05948	0.7
141.06976	0.8
146.03690	0.7
147.04440	1.3
149.05969	6.8
153.06934	0.5
159.04420	0.7
160.05186	1.7
163.03902	0.6
164.04663	2.1
165.05554	1.0
165.06995	1.2
167.08542	1.0
168.05550	0.5
168.30516	0.5
169.10066	1.0
177.05429	1.6
177.06825	0.6
178.07817	2.8
179.08556	7.1
181.06442	1.4
182.07288	3.0
183.08023	2.1
189.06990	2.1
194.07301	0.6
195.08025	1.7
197.05949	1.6
197.09596	5.3
201.97745	0.5
206.07291	0.5
207.08035	9.3
210.06734	5.4
211.07532	1.5
213.32341	0.4
215.07019	0.6
221.06084	0.6
223.07486	2.0
224.08200	0.7
225.09076	7.1
225.11127	0.6
226.06245	1.3
235.07538	3.7
237.05571	0.5
238.06229	2.5
240.07806	1.8
241.08603	1.4
242.05910	0.5
243.10188	1.3
253.08592	33.4
254.08917	0.8
271.06268	4.8
271.09628	100.0
272.07370	0.6
272.09952	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.2109
Annotation	(+)-Isojuvabiol
Peak:m/z	Relative Intensity
53.03942	1.5
53.43912	0.9
55.01867	1.9
55.05261	1.7
55.05507	21.9
57.03427	1.5
57.07064	3.2
65.03927	3.8
65.74148	0.9
67.05499	78.2
69.03407	1.1
69.07063	21.8
70.17306	4.3
71.04988	24.5
79.05489	31.0
81.07051	100.0
83.04958	3.0
83.08616	17.2
85.06538	9.4
91.05473	22.1
93.07038	49.9
95.04949	2.2
95.08600	97.4
96.08916	1.0
97.06533	8.3
97.10159	13.9
98.20844	1.2
99.08099	3.2
101.05984	1.0
105.07023	16.1
107.08588	33.8
109.06515	2.6
109.10148	51.9
111.08057	4.4
111.11706	3.6
113.05987	1.3
117.07029	5.5
117.07753	1.0
119.08574	22.7
121.06490	8.4
121.10141	29.7
123.08068	5.6
123.11702	18.6
125.09602	1.5
127.07548	1.3
131.08574	15.4
133.10123	34.0
135.08047	9.6
135.11691	20.7
137.09593	13.0
137.13234	6.8
139.07539	3.6
141.09079	2.0
145.10109	11.0
147.11714	8.3
149.09596	8.1
149.13283	10.2
151.11163	15.9
153.09088	7.4
155.10678	3.8
159.11676	12.6
161.13234	2.0
163.11209	4.0
165.12727	2.2
167.10687	4.6
169.12247	2.8
173.13275	7.8
175.14847	2.6
177.12790	4.9
181.12198	4.8
187.14772	4.2
189.16367	3.6
191.14351	1.9
191.17938	10.7
195.13847	5.3
205.19516	1.3
215.17938	41.3
221.19063	1.7
233.18987	22.1
251.20049	24.2
251.22664	1.3
263.39291	1.0
269.08051	1.8
269.21048	29.4
270.21393	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0601
Annotation	Apigenin
Peak:m/z	Relative Intensity
63.02427	0.2
67.01862	1.2
68.99783	1.0
69.07056	0.2
70.75137	0.4
70.75533	0.4
81.07027	0.4
91.05471	1.2
95.08608	0.3
107.08542	0.3
119.04945	4.9
121.02863	1.3
129.01848	0.2
145.02855	1.2
147.11655	0.2
153.01823	9.6
159.11548	0.2
163.03925	0.9
165.07010	0.4
169.06433	0.2
171.02910	1.4
187.03882	0.4
197.05945	0.3
201.05534	0.2
211.07645	0.2
225.05470	0.4
229.04942	0.5
243.06474	0.7
247.06064	0.2
271.06003	100.0
272.06290	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.211
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.6
55.01882	2.3
55.05511	20.1
56.21012	1.3
57.03437	2.2
57.07085	2.5
61.25657	1.3
65.03936	3.0
67.05504	90.4
69.07071	18.8
71.04990	29.1
71.62300	1.9
74.59425	1.5
79.05490	35.6
81.07056	100.0
83.04976	4.6
83.08617	14.5
85.06543	17.8
87.69172	1.2
91.05479	30.4
93.07037	45.7
93.83833	1.4
95.04967	3.1
95.08606	90.9
97.06530	14.5
97.10178	8.3
99.08105	5.5
105.07029	17.2
107.04994	1.7
107.07879	1.5
107.08593	33.5
109.06525	3.7
109.10155	40.3
111.08114	7.8
117.07018	7.9
119.08587	22.7
121.06537	3.3
121.10139	37.3
123.08068	3.0
123.11716	16.2
131.08574	25.5
133.10124	37.7
135.08072	5.0
135.11687	27.8
137.09595	10.9
137.13252	4.1
139.11166	1.8
145.10118	21.5
147.11667	11.1
149.09618	7.5
149.13258	22.7
151.11162	14.7
151.14752	1.6
153.09126	3.3
155.10649	2.5
159.11674	15.5
161.13283	3.4
163.11214	3.4
165.12799	2.4
167.10695	5.2
167.14410	2.0
173.13214	10.6
177.05405	1.8
177.12787	3.9
181.12228	4.2
187.14827	5.7
189.16452	1.7
191.17967	6.0
192.08894	5.3
193.09082	2.0
194.09616	2.7
195.13831	2.8
205.19511	1.5
215.17946	41.6
215.19882	2.5
220.08473	2.7
222.08943	3.8
233.18991	31.0
233.21172	1.9
241.08572	1.5
251.20055	37.2
252.09979	24.3
269.08099	3.9
269.12366	3.3
269.21063	20.9
269.23422	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.211
Annotation	(+)-Isojuvabiol
Peak:m/z	Relative Intensity
55.05513	16.2
57.07063	4.0
64.41196	2.4
67.05503	88.3
67.46175	2.6
69.07067	19.9
71.04993	22.1
71.26437	3.9
71.26775	4.3
79.05494	32.5
81.07054	100.0
83.04961	6.9
83.08611	15.6
85.02895	5.3
85.06532	11.0
91.05474	22.7
93.07042	51.1
95.04930	3.0
95.08606	93.7
97.06514	9.0
97.10195	13.9
97.10683	2.3
99.08080	3.3
105.07021	14.3
107.08592	31.3
107.28191	2.7
109.06502	4.8
109.10146	44.0
111.08056	6.2
111.11736	4.0
117.06983	5.4
119.08587	19.6
121.06502	8.2
121.10143	29.0
122.03716	2.2
123.08034	6.6
123.11720	18.0
131.08542	14.7
133.10139	31.7
135.08041	8.3
135.11691	23.0
137.09599	13.6
137.13228	6.9
139.07516	4.4
145.10144	12.8
146.04845	2.8
147.11662	8.1
149.09633	6.2
149.13251	13.8
151.11186	17.2
153.09116	6.2
155.10663	3.9
159.11690	10.2
163.11191	7.3
167.10735	3.1
173.13248	10.2
175.14778	2.3
177.12779	4.0
181.12234	4.8
189.16322	3.9
191.08574	3.7
191.17810	12.1
192.08891	13.6
195.13786	5.7
203.17879	2.9
211.21487	2.5
215.17935	39.2
220.08403	11.0
226.06357	2.6
233.18997	22.7
241.08556	3.1
251.20024	29.8
252.10977	18.6
253.70476	2.5
269.08023	8.3
269.21118	27.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.211
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66090	1.8
55.01866	2.9
55.05509	16.2
57.07069	3.0
65.03941	2.8
67.05502	73.3
69.07059	18.6
69.56808	16.6
71.04987	23.7
71.08543	1.9
79.05054	2.5
79.05487	27.5
81.07055	100.0
83.04992	4.9
83.08623	13.8
85.06545	12.1
91.05480	21.9
93.07039	43.6
93.21216	1.8
95.08602	88.8
97.06529	9.0
97.10190	11.7
98.21474	3.7
99.08084	2.2
105.07031	12.5
107.08582	28.1
109.06539	3.9
109.10151	43.1
111.08062	2.4
111.11670	2.1
117.07001	5.2
119.08574	15.4
121.06509	5.0
121.10133	25.4
123.08044	4.2
123.11695	21.5
125.09661	2.5
131.08580	11.1
133.10118	25.3
133.28444	1.8
135.08041	8.1
135.11671	18.6
137.09633	11.2
137.13240	6.6
139.07518	2.1
141.09116	1.9
145.10121	8.2
146.99312	1.8
147.11644	6.8
149.09583	6.9
149.13284	10.4
151.11214	10.4
153.09094	6.8
153.12787	2.2
155.10635	3.2
159.11655	8.4
163.11186	4.4
167.10689	4.3
173.13254	8.0
177.12715	3.4
181.06509	2.4
181.12250	6.2
187.14801	3.1
189.16319	3.7
190.07410	2.6
191.08330	7.5
191.14365	2.3
191.17943	7.6
192.08875	38.3
195.13774	7.0
197.71310	2.0
198.06830	3.7
209.09303	2.5
212.04724	7.7
215.17941	33.3
219.07947	3.9
220.08388	34.3
221.09181	4.4
226.06213	2.3
227.07036	28.7
233.18948	18.1
237.08679	7.0
241.08565	5.0
251.20071	23.5
252.10991	55.6
255.06491	21.3
269.08005	6.9
269.13791	11.1
269.21091	27.4
270.08856	43.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1747
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
53.03928	3.3
54.82258	1.2
55.01853	3.7
55.05261	1.8
55.05506	23.8
56.96550	5.4
57.03437	28.2
57.07069	6.0
65.03921	2.1
67.05502	71.5
69.03410	2.5
69.07066	31.8
69.36077	13.8
70.69919	1.4
71.04996	8.2
71.08623	2.0
79.05062	2.4
79.05490	37.4
81.03413	2.0
81.07054	100.0
83.04984	9.6
83.08617	19.3
85.02909	1.8
85.06530	6.2
91.05471	23.8
93.07040	82.1
95.04963	8.8
95.08606	32.8
95.09157	0.7
97.02901	1.2
97.06524	14.4
97.10162	3.9
98.97576	14.9
99.04466	2.1
99.08082	5.0
105.07016	9.3
107.07854	2.4
107.08587	40.1
109.06487	3.3
109.10151	12.5
111.08065	7.5
111.11713	1.3
113.09631	1.5
116.98610	21.2
117.07014	8.3
119.08575	6.5
121.06482	3.6
121.10136	22.3
123.11699	4.9
125.06046	1.3
125.09622	1.6
131.08563	10.9
133.10124	12.3
134.99655	36.0
135.08043	2.7
135.11676	14.3
137.09624	1.7
139.07524	1.2
139.11122	2.3
140.00232	1.4
143.08565	2.1
145.10118	4.6
147.04413	1.7
147.11673	4.8
149.09618	2.6
149.13252	49.0
151.11145	1.5
153.00728	9.0
157.10130	4.1
158.01256	5.5
158.84012	1.2
159.11682	21.0
161.13248	2.0
165.12836	1.6
167.14296	1.8
171.11653	2.5
173.13272	2.2
175.14725	2.2
177.12764	9.8
181.06389	1.3
181.12358	1.2
185.13177	1.9
190.05469	1.4
191.18111	1.6
192.08948	1.5
195.07973	2.4
195.13799	16.0
199.14867	1.5
211.07469	1.7
211.14870	1.5
213.16438	3.2
220.22668	1.3
237.09122	1.5
241.05592	1.2
241.08583	3.5
251.09546	2.7
251.19980	3.4
252.10384	1.4
269.08008	6.2
269.10733	12.8
269.17465	54.0
269.22629	13.1
270.08533	1.5
270.17587	1.8
287.11597	7.2
292.12213	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1748
Annotation	Altiloxin A
Peak:m/z	Relative Intensity
53.03940	3.9
53.91848	2.3
55.01883	4.6
55.05510	19.7
56.96569	3.3
57.03439	29.8
57.07070	9.2
58.69536	2.0
67.05506	74.0
67.86529	2.1
69.07069	35.2
71.04993	6.2
71.59123	2.0
79.05491	43.5
81.07056	100.0
81.22640	1.9
81.83098	2.0
83.04983	10.0
83.08620	15.4
85.02096	2.5
85.06544	4.3
91.05479	23.7
93.07047	61.1
95.04964	4.2
95.08605	37.2
97.06537	14.7
97.10194	3.9
99.08107	5.4
100.41720	2.4
105.07028	21.5
107.04950	4.5
107.08588	46.8
109.06555	5.0
109.10146	12.6
111.08094	9.9
117.07021	7.7
119.04929	3.6
119.08582	14.6
121.10138	29.9
123.11715	8.8
127.07506	2.9
131.08565	14.4
133.10089	15.6
135.08061	2.5
135.11700	15.5
139.11212	3.9
143.08586	5.6
145.10152	12.4
147.04405	5.1
147.11696	7.8
149.13261	49.8
151.11165	3.2
157.10168	7.4
159.11696	29.0
161.13257	5.8
163.89291	2.3
167.14420	2.3
168.02737	2.9
171.11684	6.3
173.13226	8.0
175.14835	3.3
177.12787	11.4
179.05507	3.4
185.13287	6.4
187.14784	3.6
192.08891	2.4
195.13814	14.0
197.06573	16.3
199.14867	5.9
201.16409	3.4
205.06528	4.0
213.16422	9.5
215.07648	2.3
223.04640	2.9
223.07617	9.4
227.18156	5.0
228.05135	2.2
241.05534	13.5
246.06190	12.0
251.07129	3.2
251.20273	4.6
264.07181	19.0
265.07507	3.4
269.08014	16.2
269.14914	4.2
269.17526	57.9
269.22607	52.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1747
Annotation	6alpha,7beta-Dihydroxydiihydrodrimenin
Peak:m/z	Relative Intensity
53.29392	0.9
55.01860	2.3
55.05511	49.1
56.96564	1.4
57.07061	4.0
59.04998	11.6
67.05227	1.0
67.05504	10.3
67.82316	0.9
69.03415	1.5
69.07062	7.1
71.04990	6.1
79.05491	7.8
81.03428	1.1
81.07056	36.1
83.04978	24.3
83.08612	6.4
85.06522	2.6
91.05482	8.0
93.07034	11.9
95.04964	2.5
95.08605	14.8
97.06528	2.2
97.10160	1.9
98.97569	1.5
99.04449	2.9
99.08089	7.9
101.06015	92.9
103.05468	2.1
104.05795	0.9
105.07044	10.8
106.07336	1.7
107.04911	4.6
107.08593	35.5
109.06502	3.9
109.10146	5.7
111.08054	3.2
116.98605	1.5
117.07038	1.5
119.04922	1.8
119.08583	10.1
121.06464	1.8
121.10130	9.9
123.08085	1.5
123.11707	100.0
124.79700	1.0
125.09618	2.6
127.07559	14.8
129.05481	31.7
131.04897	3.3
131.08553	7.6
133.10126	12.2
134.99632	2.0
135.08063	1.7
135.11681	4.3
139.07518	1.2
139.11119	0.9
141.12747	5.2
143.08554	2.1
145.10130	6.1
147.04478	4.9
147.06502	5.9
147.11685	5.2
148.04752	3.5
149.09621	2.8
149.13307	6.6
153.09055	2.6
157.10127	3.1
159.11702	7.5
161.13246	2.4
163.11218	2.5
171.11711	4.0
173.13219	11.6
175.11205	3.7
175.14740	1.6
177.05545	1.3
177.12750	1.4
179.05493	2.1
181.12302	1.2
185.13210	1.7
187.14766	1.7
191.10713	1.3
191.14310	19.4
192.08952	1.1
193.12254	3.3
195.08072	1.2
195.10158	2.4
195.13846	1.6
197.06595	4.0
199.14845	2.3
205.15854	1.2
209.15421	5.2
213.16386	2.4
215.07678	1.0
215.14272	2.8
220.08267	1.3
223.07523	1.7
225.12685	1.5
227.17924	1.0
233.15332	13.6
246.06081	2.0
251.13893	1.4
251.16414	18.7
251.20020	2.2
252.10855	1.4
264.07214	5.0
269.08023	3.5
269.17548	18.0
269.22565	16.5
269.25192	1.5
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	Unknow
Peak:m/z	Relative Intensity
53.03952	4.8
55.05511	21.9
55.51676	2.0
56.96562	2.8
57.03437	30.6
57.07070	5.1
67.05505	75.6
69.03433	2.8
69.07067	27.1
71.04996	8.4
71.08627	2.6
71.58525	2.3
79.05491	47.2
81.03429	4.1
81.07057	96.1
83.04987	8.7
83.08621	13.4
85.06544	5.5
91.05473	32.9
93.07040	73.1
95.04963	7.2
95.08607	26.0
97.06532	18.1
97.10159	2.7
98.97573	2.9
99.08099	4.0
105.07022	24.0
107.04966	6.3
107.08595	35.2
109.06514	9.9
109.10162	7.5
111.08060	8.3
117.07043	11.3
119.04953	5.0
119.08569	6.3
121.06527	7.8
121.10149	100.0
122.10430	2.7
123.08065	3.5
123.11728	4.3
125.06031	4.2
131.08575	17.0
133.10118	15.1
134.99718	2.7
135.08116	2.6
135.11661	13.3
139.11235	10.3
147.04408	4.5
149.09615	40.0
149.13260	41.6
152.70395	2.0
153.12784	5.8
157.10152	2.5
159.11703	30.4
163.03979	2.7
167.10739	4.2
168.02704	3.8
177.09193	4.0
177.12743	13.7
179.05563	7.5
179.14354	2.9
180.30878	2.5
181.03531	5.1
181.12277	2.4
186.03856	3.0
191.73947	2.1
193.03517	6.0
195.13786	20.6
197.06612	21.0
199.04651	2.4
209.11674	4.4
215.07726	3.1
220.08350	5.6
223.04559	7.6
241.05521	23.9
241.07843	2.4
246.06108	24.3
247.06448	3.2
251.20135	4.2
264.07162	30.1
265.07327	2.7
269.04752	2.2
269.07843	10.6
269.15332	7.7
269.17581	74.0
287.08917	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1746
Annotation	Trichotriol
Peak:m/z	Relative Intensity
51.25548	1.1
51.45949	1.3
53.03936	3.2
55.01865	2.1
55.05511	19.8
56.96548	1.9
57.03436	28.2
57.07075	4.6
65.03931	3.8
67.05502	75.7
67.87492	1.2
69.07069	25.1
70.89676	3.9
71.04991	7.7
74.78692	1.2
75.34925	1.3
76.07538	1.1
79.05489	43.9
80.37714	1.3
81.03395	2.1
81.07055	100.0
83.04977	12.0
83.08623	21.3
85.06548	4.5
91.05481	30.3
93.07040	71.9
95.04971	7.2
95.08603	29.7
97.06547	16.9
97.10145	2.4
98.69720	1.3
99.04439	1.6
99.08073	4.2
105.07022	13.5
107.04967	1.8
107.08593	34.1
109.06497	2.8
109.10142	5.5
111.08099	8.8
111.11701	1.6
116.98654	2.2
117.07018	12.6
119.04951	3.4
119.08589	3.7
121.06525	1.5
121.10145	22.9
123.04439	2.7
123.11716	4.5
131.05005	1.3
131.08572	13.8
133.10130	16.9
135.08026	3.0
135.11688	13.1
139.07545	1.4
139.11211	2.0
147.04428	5.1
147.11699	2.1
149.09628	2.2
149.13255	41.7
151.11197	2.5
157.10156	1.4
159.11687	29.2
161.05975	1.3
161.13255	2.9
168.02690	2.6
175.07539	2.8
177.12729	15.4
179.05553	6.2
179.14331	2.4
181.03488	3.3
183.05072	1.7
187.07495	1.8
193.03502	3.0
195.13788	18.0
195.15448	1.4
197.06580	14.3
205.03491	1.5
213.09123	2.6
213.14851	2.3
215.07742	1.9
220.08319	3.0
223.04565	5.5
230.43706	1.3
241.05586	17.3
242.05841	1.2
246.06129	14.0
248.68823	1.2
251.16437	1.3
264.07187	18.9
269.07852	6.0
269.15292	7.3
269.17529	85.0
270.17981	2.1
287.08917	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	269.1543
Annotation	4,4'-(2-Ethyl-1-butenylidene)diphenol
Peak:m/z	Relative Intensity
55.01861	0.8
55.05511	4.1
57.07079	1.0
58.17084	0.5
60.26273	0.6
65.03927	0.9
67.05515	6.7
69.07074	5.7
70.92868	1.3
70.93204	1.3
71.51206	0.6
79.05508	3.6
81.07060	7.6
81.93993	0.6
83.08627	1.2
91.05482	7.9
93.07049	7.1
95.05008	0.9
95.08042	1.2
95.08608	14.9
95.78930	0.6
97.02893	1.1
97.10202	0.8
100.98905	0.7
103.05448	2.4
105.07032	6.6
107.08600	36.8
109.06507	1.0
109.10141	4.2
113.65494	0.6
115.05479	2.2
116.06209	0.9
117.07022	10.9
119.08598	9.1
121.10139	2.9
123.04436	31.5
123.11711	0.6
128.06224	1.0
129.07010	5.1
131.04959	3.3
131.08571	3.6
133.03473	2.2
133.10138	7.3
137.05974	2.7
141.07014	4.2
143.01974	0.8
143.04906	1.0
143.08540	1.4
144.09425	0.7
145.06493	2.1
145.10138	1.6
147.04427	2.2
147.11679	2.4
148.04665	0.8
149.05975	3.3
151.04489	0.9
152.06227	1.7
153.06996	3.5
155.08580	1.6
157.06493	2.3
159.08099	1.2
159.11713	6.8
161.02957	0.8
161.05994	5.2
161.13161	1.1
163.07539	3.0
165.07034	1.6
166.07764	1.0
167.08566	7.4
169.06511	9.1
169.10155	0.8
171.08040	1.2
173.05923	3.4
175.04483	0.9
175.07571	13.9
177.09074	1.6
177.12711	0.8
178.92433	0.6
181.06500	4.6
181.10103	1.8
181.39590	0.7
183.08145	3.9
187.04497	0.7
187.07562	12.3
189.06065	0.6
189.09117	4.1
195.08052	7.6
199.04698	0.7
199.07561	14.5
200.08282	1.6
201.09155	4.6
203.10570	0.8
208.08905	0.8
209.09647	3.7
211.04453	0.9
213.09120	25.7
213.16241	1.0
214.09865	0.6
223.11217	1.3
223.14801	1.4
225.09109	1.5
226.09889	2.0
227.10687	6.9
240.11488	1.6
241.12311	2.0
242.25514	0.6
251.14288	1.8
269.15375	100.0
269.22672	2.9
270.15680	0.8
277.07782	0.6
280.27164	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1535
Annotation	4-Methyl-2,4-bis-(p-hydroxyphenyl)pent-1-ene
Peak:m/z	Relative Intensity
50.82049	1.2
55.05497	4.7
55.77894	1.3
57.07066	2.8
67.05490	6.1
69.03400	1.5
69.07056	8.0
71.04974	3.2
71.59335	1.8
71.59731	2.1
71.76111	1.6
79.05486	11.6
81.03441	1.3
81.07063	9.9
83.04983	2.2
83.08611	4.2
91.05476	21.5
93.07053	17.6
95.04962	5.5
95.08600	10.3
97.06528	26.9
103.05444	3.2
105.07032	25.8
107.04952	51.0
107.08589	37.5
109.06532	3.7
109.10139	6.5
115.05464	3.9
116.06218	1.6
117.07037	4.3
119.04941	9.7
119.08572	14.5
119.85059	1.4
121.02841	2.1
121.06499	43.5
121.10130	25.5
123.08028	3.2
128.06206	3.0
129.06993	7.1
131.04953	5.0
131.08569	31.9
133.06474	20.5
133.10175	7.9
135.08032	6.0
135.11722	2.7
141.07022	2.7
142.07780	2.8
143.08543	5.9
145.06462	9.1
145.10149	4.6
147.04381	2.6
147.08040	6.7
149.09621	47.2
153.06992	3.0
155.08548	2.0
156.09367	1.9
157.06477	8.9
157.10136	6.1
159.08083	7.0
159.11737	2.6
163.11160	2.3
165.06978	5.0
166.07750	2.9
167.08533	2.1
168.02719	4.3
169.06422	1.7
169.10126	1.8
170.07301	3.6
171.08044	28.9
171.11658	4.2
172.08765	10.0
173.09554	3.3
173.13228	3.6
175.07568	1.6
175.11176	5.1
179.05531	13.3
179.08598	2.7
181.03499	6.5
181.06445	6.3
181.10085	3.5
182.07307	2.4
183.05089	2.1
183.08092	9.3
183.11642	1.5
184.08778	1.9
185.09642	10.6
185.13211	3.8
186.03749	1.9
190.12158	2.0
191.08484	2.3
192.09299	2.6
193.03523	8.3
193.10078	2.1
194.07330	4.0
195.08028	15.9
195.11771	2.9
196.08913	7.4
197.06610	27.3
197.09450	6.8
199.04512	2.8
199.11179	6.4
207.11708	4.1
208.08922	2.9
209.09621	13.7
210.10452	13.1
211.04488	3.0
211.11057	4.8
215.07651	3.0
220.08208	5.8
221.09558	4.2
222.10287	2.0
223.04535	5.0
223.11185	4.8
225.12737	100.0
227.14307	6.0
228.09633	1.6
236.11969	4.4
241.05606	21.4
241.15831	5.2
246.06102	18.1
246.10931	2.5
251.14294	22.1
251.19962	2.6
254.21475	1.9
255.15904	2.7
264.07162	32.6
269.05060	1.9
269.07745	8.9
269.10745	2.4
269.15353	64.5
269.18860	9.5
287.08893	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	269.1382
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	2.0
55.05501	5.2
56.96553	2.2
57.03443	3.2
57.07057	4.6
67.05503	14.4
69.03433	2.2
69.07054	8.5
70.73653	4.4
70.74024	4.0
71.04972	4.1
73.98342	1.7
79.05485	16.8
80.03172	1.9
81.07060	22.8
83.04967	2.3
83.08595	4.7
85.06524	2.4
85.10159	2.0
91.05470	8.8
91.34596	1.7
92.23324	2.0
93.07047	23.1
95.04974	4.3
95.08588	6.8
97.06524	5.0
103.05467	1.7
105.07039	15.3
107.04934	6.9
107.05626	1.8
107.08588	16.4
109.06516	8.0
109.10142	6.6
111.08069	2.3
115.11792	1.9
117.07072	2.2
119.04949	6.4
119.08569	5.4
121.06538	12.8
121.10139	100.0
123.08055	4.7
123.11703	2.5
125.05991	3.9
131.08545	7.8
133.10135	4.6
135.11649	4.0
139.11166	8.8
147.04390	2.6
149.09618	36.8
149.13237	7.7
153.12767	4.5
159.11740	5.3
167.10635	8.3
168.02629	3.1
179.05542	9.8
181.03435	4.6
181.12256	3.9
192.08873	2.2
193.03441	3.8
195.13766	2.6
197.06624	21.9
209.11726	3.6
211.10864	3.6
215.07614	5.4
220.08199	5.6
223.04539	8.2
228.05142	3.5
241.05588	28.0
246.06152	21.1
251.20093	3.4
264.07166	31.1
265.07236	2.6
269.04794	2.0
269.07813	11.5
269.10965	2.4
269.15198	6.3
269.17590	9.0
287.08786	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	267.159
Annotation	Alliacolide
Peak:m/z	Relative Intensity
53.03928	3.8
55.01842	2.3
55.05487	5.5
57.03179	1.9
57.03435	19.5
62.85729	1.8
66.99009	1.8
67.05503	12.8
69.03418	2.4
69.07056	3.2
71.04967	3.0
71.60233	2.3
71.60616	2.1
73.66147	1.6
79.05505	14.2
81.03413	100.0
81.07063	15.6
83.04962	6.1
83.08616	14.4
91.05490	18.8
93.07026	7.8
95.04958	17.8
95.08595	6.7
97.02874	3.9
97.10130	1.9
98.98443	4.9
100.55645	1.7
105.07044	13.2
107.04933	7.3
107.08581	3.2
107.38822	2.0
109.06494	4.7
111.08101	4.2
119.08579	15.1
121.10150	5.6
123.11662	3.5
129.07004	6.2
131.08534	6.8
133.06476	5.0
133.10120	6.4
142.07713	2.2
147.08026	3.3
147.11668	7.2
149.09627	2.6
157.10141	9.8
165.12746	2.4
175.11171	7.9
193.12209	23.5
211.13338	3.5
267.15909	79.9
283.21002	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.104
Annotation	Adenosine
Peak:m/z	Relative Intensity
50.53891	0.1
55.01852	0.2
57.03427	0.5
57.21280	0.1
69.03432	0.3
71.01344	0.2
71.18272	0.2
71.18600	0.3
80.03592	0.2
83.68055	0.1
85.02908	0.4
94.04067	0.3
97.02894	0.3
98.97601	0.2
115.03947	0.2
119.03549	0.8
133.04912	0.2
136.06180	100.0
137.00729	0.1
137.04573	0.5
137.06517	0.6
178.05876	0.2
231.23325	0.2
268.10397	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	268.133
Annotation	Asimilobine
Peak:m/z	Relative Intensity
70.14763	1.9
70.15162	1.2
116.45023	0.6
146.72099	0.6
153.17767	0.6
165.06995	2.7
178.07799	0.7
179.08652	1.8
180.09312	2.7
181.06499	0.7
189.06972	2.9
190.07762	11.3
191.08553	94.5
192.08888	0.9
205.10187	2.6
207.08025	1.4
208.08862	6.7
213.74493	0.8
218.07271	2.4
219.08052	72.0
220.08795	10.8
236.08318	16.7
236.10582	1.2
251.10666	100.0
252.11049	1.3
268.13339	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	268.9826
Annotation	Unknow
Peak:m/z	Relative Intensity
63.01571	0.8
69.74860	4.7
73.78532	0.8
94.93002	1.4
98.21507	1.1
136.93990	3.7
153.27466	0.9
162.95576	2.7
173.54710	0.8
192.35744	0.9
250.97203	1.9
268.98233	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.0769
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39422	1.7
55.05501	6.6
56.07040	1.7
57.03418	4.9
57.07053	3.7
67.05501	20.2
69.07057	7.7
70.73331	5.2
71.04995	2.4
72.53262	2.1
79.05487	8.1
81.03391	2.9
81.06650	2.0
81.07066	23.3
83.08619	3.8
85.06551	3.3
91.05480	8.6
93.07040	15.0
95.04974	2.2
95.08615	9.0
97.06535	3.3
98.05134	1.6
99.08103	2.4
100.02518	2.5
105.07027	6.1
107.04965	4.9
107.08600	13.4
109.10131	5.8
109.60918	2.0
111.08048	2.5
117.06993	3.3
119.04945	15.4
119.08584	2.2
121.06477	3.6
121.10126	4.8
123.04404	2.1
131.08562	3.9
133.06493	2.6
133.10114	4.5
135.11671	2.4
139.02448	2.3
147.04407	8.8
147.11646	2.1
149.13252	7.1
156.70473	2.0
157.03464	2.2
159.11664	4.6
168.02733	11.1
179.05534	22.1
181.03413	12.5
181.10081	1.9
183.05006	5.2
186.03746	5.3
191.01950	2.2
193.03500	7.2
193.94089	1.7
195.08081	4.9
195.13770	3.7
197.06609	53.9
199.04523	5.7
199.07516	1.9
205.03429	4.4
211.04425	4.0
211.10800	3.2
215.07652	5.9
220.08234	6.8
223.04504	28.7
223.06807	2.0
223.07608	3.0
225.12804	5.0
228.05074	5.0
241.05585	94.9
242.05737	2.1
246.06129	78.2
250.84610	2.0
251.07013	5.4
251.20050	5.0
252.11003	2.9
264.07181	100.0
265.07303	3.8
269.07773	32.5
269.12332	3.7
269.15298	9.0
269.17706	11.1
269.22586	3.3
287.08841	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	269.0769
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60669	0.2
56.96563	1.1
60.06759	0.2
60.58680	0.2
61.72797	0.2
69.07058	0.2
69.64924	1.6
72.05020	0.2
77.00919	0.5
81.03407	0.5
81.07063	0.3
91.05476	0.3
93.07041	0.4
95.01961	0.4
98.20779	0.4
98.97583	2.2
100.02480	0.9
101.00885	0.4
102.00983	0.3
103.00642	0.5
107.04971	0.2
116.98628	2.6
118.03517	0.7
119.01910	3.7
119.04934	4.2
120.01978	3.4
121.01662	4.9
121.02434	0.4
121.10144	0.3
122.01968	0.4
134.99643	3.6
136.99663	0.3
137.02956	1.7
138.03069	1.7
139.02667	2.8
140.00325	0.3
140.03000	0.2
142.03500	0.3
143.03603	0.3
147.04404	0.6
153.00772	0.7
153.04004	0.4
155.00732	0.3
157.03499	0.8
158.01212	0.3
158.03644	0.2
160.99660	0.5
161.04491	0.5
161.99796	0.3
163.02437	0.5
165.03995	0.6
167.01840	0.4
168.02689	3.8
169.03465	0.5
171.05008	0.5
175.02385	0.4
177.00955	1.9
178.01059	0.9
179.00699	8.8
179.05530	8.5
180.00798	14.6
181.00455	1.3
181.03455	6.5
183.05032	1.9
184.99779	0.3
185.02928	0.7
186.03812	2.1
187.02509	0.3
187.04471	0.3
191.01883	0.6
192.98709	0.3
193.03474	5.7
195.05112	0.3
196.08112	0.2
197.06584	23.4
198.01918	0.3
198.06689	0.9
199.04544	1.6
202.07158	0.5
203.00755	0.5
203.02496	0.8
203.04141	0.4
204.00732	0.5
204.03952	0.4
205.03459	1.2
211.04485	1.5
215.07660	2.9
216.05127	0.5
219.01984	1.1
219.03883	0.6
220.02184	0.3
220.03856	3.0
220.08163	4.0
221.01733	8.8
222.01897	19.3
223.01643	2.5
223.04529	7.9
227.00778	0.3
227.04031	0.3
228.00766	2.0
228.05051	1.4
229.00549	0.3
234.99733	0.3
241.05568	22.7
242.05835	0.6
243.05862	0.5
244.03532	0.5
245.01697	0.7
246.02017	5.5
246.06114	21.8
247.01431	2.6
247.06413	0.6
251.11328	0.4
261.03024	0.3
263.02838	13.7
264.03043	100.0
264.07205	27.5
265.02640	8.1
265.07431	1.0
266.03558	0.3
267.50595	0.3
269.03500	0.7
269.07724	3.6
269.12448	0.7
270.03088	0.3
272.94412	0.7
274.97784	0.3
277.01227	0.2
278.04510	0.3
286.04529	0.8
286.99640	0.4
287.04645	7.5
287.08737	1.2
288.04636	0.6
288.08875	0.2
288.91937	0.3
290.95505	0.5
292.06342	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.1749
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43462	1.6
55.05498	5.2
56.05025	5.2
56.96561	3.9
57.03434	2.0
57.07070	2.1
67.05502	10.6
69.07076	5.8
71.04996	13.2
71.59067	1.5
71.59478	3.1
72.04517	5.6
79.05489	13.7
80.06264	4.1
81.03436	2.1
81.07053	17.8
82.04205	8.5
83.04997	5.4
85.06542	7.0
91.05474	11.8
92.06251	4.2
93.07045	30.6
94.07825	11.7
95.04956	7.0
95.08607	45.2
97.06525	7.4
99.04456	32.6
99.08076	4.4
101.06010	4.4
105.07034	21.9
107.08593	38.5
108.08145	2.5
108.09402	3.7
109.06509	7.3
109.10130	8.1
112.07623	2.1
115.05493	2.5
117.06996	6.3
119.08579	16.7
120.08082	3.5
120.09351	2.4
121.06505	2.3
121.10180	10.5
121.10886	2.0
123.08043	4.8
123.11726	3.3
125.09694	2.3
127.07577	2.7
131.08554	9.4
132.09424	1.9
133.10115	12.3
134.10878	5.6
135.08109	3.7
135.11682	23.8
136.07558	1.8
136.12474	6.9
137.09602	4.0
138.10365	3.1
141.09117	4.2
145.10121	12.7
146.09641	2.3
147.11682	6.8
148.11253	2.8
151.11195	4.3
156.56967	1.7
157.10100	7.1
159.11667	8.7
160.11276	2.2
160.12462	9.6
161.13280	7.1
163.11209	4.2
165.12756	3.6
167.10648	3.5
174.12770	3.0
175.11136	2.4
175.14812	5.4
178.12141	1.9
178.13531	4.7
179.10687	5.3
189.12816	2.5
191.08560	8.5
196.13322	64.3
202.07732	1.9
203.14270	2.7
206.15398	100.0
208.13330	6.5
218.16792	4.3
219.08112	9.2
221.15344	3.7
225.05768	3.9
231.13776	4.8
235.16956	3.2
243.09093	5.2
249.09079	27.1
261.10077	2.6
266.08270	2.6
266.11545	3.2
266.17551	31.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.1175
Annotation	(-)-Annonaine
Peak:m/z	Relative Intensity
52.78223	0.1
54.09689	0.1
54.65611	0.1
56.87413	0.1
70.26337	0.6
85.02878	0.3
112.43912	0.1
127.03866	0.1
133.65688	0.2
139.89072	0.1
143.03253	0.1
165.06992	0.5
177.07030	0.3
178.07768	2.4
179.08549	0.4
179.76105	0.1
189.06912	1.1
190.07764	3.2
191.08548	32.7
192.08961	0.5
193.10109	2.0
201.07002	0.5
202.07758	1.9
203.08554	3.9
205.06453	0.6
206.07193	0.5
207.07996	0.4
218.07343	0.3
219.08044	27.6
220.08466	0.3
221.05978	0.4
221.09616	1.4
229.07588	1.2
231.07968	0.8
232.08907	0.2
234.06653	0.2
248.08244	0.3
249.09097	100.0
250.09480	1.1
266.11758	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	266.161
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	0.7
56.13399	0.3
59.05000	0.8
61.02934	1.0
63.54770	0.4
71.04990	1.8
71.59438	0.4
79.05493	0.8
81.07063	3.3
87.08075	0.3
94.04057	0.9
105.06985	0.3
106.06609	0.4
107.04984	0.6
108.66749	0.3
109.02905	0.8
111.32722	0.3
119.03541	1.8
134.06007	0.6
135.04427	0.4
136.06181	100.0
137.04602	1.6
161.05919	0.3
223.07225	0.6
234.13492	18.1
249.14851	0.4
251.07086	0.5
251.09421	2.1
266.08844	1.3
266.11673	3.2
266.16107	54.8
267.16272	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.175
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40355	1.4
53.03943	1.4
55.05507	7.8
56.96564	9.7
57.07056	4.5
64.90587	1.2
67.05502	12.3
69.07059	7.0
70.95302	3.7
70.95657	1.3
71.04990	2.2
74.32819	1.3
79.05492	14.3
80.05013	3.3
80.06251	4.2
81.07056	42.7
83.04983	24.1
83.08615	1.9
84.05789	1.7
91.05472	13.0
93.07030	16.4
94.07804	1.9
95.04977	8.5
95.08610	14.7
96.05761	10.3
97.06516	5.3
105.07021	13.9
106.07832	2.1
107.04922	2.5
107.08604	18.4
109.06499	5.2
109.10163	7.8
110.07281	2.9
111.04450	1.8
111.08073	1.6
112.05231	1.4
113.09572	1.5
117.07018	6.3
119.04944	5.1
119.08556	10.5
120.08109	3.0
120.86057	1.2
121.06506	4.7
121.10143	11.5
121.36550	1.6
122.07245	3.4
122.10915	4.1
123.08067	44.2
123.11701	100.0
129.06995	2.0
131.08557	8.0
132.09291	1.5
133.06432	1.5
133.10080	6.8
135.08023	4.4
135.11684	3.9
136.08801	9.2
137.09592	5.6
139.11201	1.9
142.07820	2.1
143.08455	3.3
145.09076	1.6
145.10117	8.7
146.06956	1.6
147.04396	24.1
147.08002	2.0
147.11681	4.1
148.08778	1.7
149.09598	6.8
149.13257	12.5
150.10394	4.6
151.11044	1.8
153.12738	1.6
157.10197	6.6
159.11674	5.1
161.09636	5.0
161.13290	1.8
162.10387	2.8
163.11150	1.8
165.09079	3.0
173.04955	1.8
173.09618	1.9
173.13257	1.7
175.02742	2.3
175.11169	18.9
189.12665	2.9
189.16354	5.6
191.08575	4.1
191.17928	1.6
201.16391	4.2
202.05663	1.5
203.14287	5.2
207.17419	12.6
208.14607	2.6
213.07961	5.9
217.15819	3.5
218.16647	12.5
219.08069	3.1
219.17409	1.7
221.15338	1.7
222.56946	2.4
226.66626	1.5
231.09010	4.1
231.13826	1.9
235.16943	5.9
236.17697	33.3
243.09062	2.6
248.16452	7.4
249.09140	10.9
257.06967	4.9
261.09979	2.0
266.12073	2.7
266.17468	16.0
280.08539	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.0359
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96565	2.6
69.90543	0.8
69.90957	1.0
84.72166	0.3
86.91463	0.4
98.20811	0.6
98.97569	4.2
98.98454	0.9
101.00871	1.6
116.98617	4.8
119.01916	10.6
121.01613	0.4
124.99115	0.7
129.36513	0.3
134.99677	3.5
137.02960	4.2
140.98904	0.6
142.03529	0.5
143.00153	2.4
145.03493	0.7
153.00815	0.9
154.94145	0.8
158.99831	0.9
161.01193	2.3
162.03299	0.4
162.99312	0.4
164.03004	0.4
169.03433	0.5
172.95232	1.4
175.01834	0.4
177.00948	23.3
178.01042	1.4
182.99896	0.7
186.97054	0.4
187.04497	0.6
190.96176	0.5
193.95915	0.4
195.01848	0.4
198.98593	0.4
200.02548	1.0
201.00899	1.7
201.02469	1.3
201.98381	0.5
203.00163	0.6
204.02036	0.7
210.98956	0.4
214.96388	0.7
217.04121	2.3
219.01985	26.4
220.02066	1.6
222.99120	0.7
225.00674	1.9
230.94370	0.4
230.98051	0.5
231.99803	0.5
242.98250	0.5
243.00168	0.3
243.01981	6.9
251.97986	3.1
254.94125	0.5
260.98578	2.5
261.03049	100.0
261.48819	0.5
262.03174	3.1
262.97183	1.1
266.06506	0.5
269.99393	0.7
271.97604	0.6
284.04626	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	266.1021
Annotation	Unknow
Peak:m/z	Relative Intensity
61.10373	0.3
64.48309	0.3
68.99800	0.5
70.02961	0.6
71.59560	0.5
74.58556	0.3
79.56354	0.3
81.03404	0.8
87.00826	2.4
91.05470	0.8
93.07047	1.1
103.05460	5.3
109.02863	2.2
118.06532	9.9
120.08099	100.0
121.06496	2.5
121.08446	1.1
142.06583	0.3
143.57057	0.3
145.06403	0.4
146.05997	14.5
161.05942	0.4
163.07579	0.3
180.10190	2.7
188.07057	18.5
188.15167	0.4
202.16656	0.8
206.08115	86.6
207.08408	0.8
208.08664	0.4
216.06487	1.0
219.19299	0.9
234.07587	2.2
248.09087	1.7
251.10692	1.1
266.10214	1.1
266.12979	2.7
266.19409	1.1
289.88309	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.191
Annotation	N-Hydroxynitraramine
Peak:m/z	Relative Intensity
51.98402	0.6
55.05502	1.1
57.07077	3.0
67.05496	1.6
69.03415	1.1
69.07073	3.8
69.86402	3.4
71.68484	0.5
79.05479	1.3
81.03395	1.5
81.07056	4.9
83.04975	0.8
83.08589	1.6
85.02887	1.2
87.00812	0.7
91.05475	2.1
93.07040	2.8
95.04936	1.0
95.08600	5.3
95.35059	0.5
96.08097	1.4
97.08900	0.6
98.09689	3.0
103.05441	1.1
105.07036	3.9
107.08603	4.0
108.08121	0.8
109.02869	1.4
109.06521	1.6
109.10147	1.6
110.09641	0.5
111.04478	0.6
111.08006	0.5
115.05428	0.7
117.07018	3.8
118.06518	1.5
119.08575	4.8
120.08100	13.9
120.71836	0.5
121.02854	1.6
121.06538	0.6
121.10135	5.8
122.07174	1.4
122.09660	2.2
122.10925	1.6
124.11183	0.7
129.07007	0.8
131.08553	6.4
133.06494	0.6
133.10110	4.0
135.11610	0.8
136.11226	5.9
137.12000	7.2
138.12762	5.9
143.08517	1.7
144.09297	1.0
145.06465	2.5
145.10118	19.3
146.05984	1.7
147.08023	0.7
147.11729	1.0
149.09517	0.9
149.13193	0.6
157.10123	1.0
158.10890	1.6
158.55009	0.5
159.11703	15.0
161.13196	0.8
163.03917	0.6
163.11226	0.9
171.11705	2.2
173.05969	2.6
173.13275	2.7
176.14378	1.3
179.08553	1.0
183.11536	0.7
186.14081	2.0
187.11226	1.6
187.14812	28.2
188.07077	1.8
189.07037	0.7
190.06261	1.0
190.15816	0.9
191.07051	0.7
194.07156	0.8
201.16376	84.0
202.17178	5.8
204.17441	4.4
205.06749	0.9
205.08598	2.6
205.12253	0.8
206.08102	7.8
206.09753	0.8
207.08046	4.5
207.10020	5.2
217.08623	1.2
218.19023	40.9
219.08070	1.2
219.17671	0.8
219.19800	12.5
229.12285	0.8
235.07492	2.8
235.09578	1.9
237.09154	1.2
247.09662	0.8
247.13432	1.0
250.10014	0.7
265.08444	6.0
265.10950	10.4
265.19104	100.0
266.19403	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.191
Annotation	N-Hydroxynitraramine
Peak:m/z	Relative Intensity
52.59715	0.5
53.37600	0.6
55.05502	1.5
55.38915	0.5
57.07056	1.3
59.91425	0.5
60.72673	0.5
63.48574	0.5
67.05492	2.5
67.34875	0.5
69.03411	1.5
69.07054	2.5
69.49255	0.5
69.60586	4.5
71.38644	0.5
79.05462	1.3
81.03422	1.0
81.07044	5.3
83.08624	1.4
85.02877	0.6
85.06556	0.6
91.05468	2.2
93.07043	4.6
95.05008	0.6
95.08606	5.8
96.08124	1.5
97.02903	0.6
97.08927	1.1
97.10174	0.9
98.09666	2.0
103.05462	0.6
105.07038	3.8
107.08602	5.9
108.08062	0.7
109.02862	1.4
109.10169	2.0
111.04468	0.8
111.08049	0.8
115.05424	1.0
117.07036	2.9
119.08569	5.3
121.02859	1.9
121.06487	2.0
121.10117	5.1
122.07164	2.2
122.09657	1.7
122.10910	1.6
123.08076	0.6
123.11719	0.9
124.11205	0.8
131.08574	4.8
133.10112	2.8
135.08054	1.3
135.11610	0.8
136.11200	9.0
137.05969	0.6
137.11992	19.1
138.12775	18.8
143.08542	0.7
144.09320	0.8
145.06471	1.7
145.10124	11.1
147.11688	0.8
149.05945	2.1
149.09618	1.2
154.70409	0.6
157.10144	1.0
159.11682	10.4
161.05980	0.6
161.13307	0.7
163.03925	0.9
167.07002	1.7
171.11787	0.7
173.06001	2.2
173.13206	2.7
175.04156	0.6
176.14336	1.1
179.08553	0.6
187.14810	41.4
190.06221	0.9
191.06987	1.1
201.16370	35.9
202.17139	7.2
204.17427	2.3
205.06664	0.6
205.08612	1.9
207.08020	1.8
207.10011	2.0
217.08626	1.2
218.19035	17.6
218.21161	0.9
219.19753	3.9
222.06752	1.1
229.15837	0.9
235.07463	1.2
235.09509	1.3
237.09055	0.8
247.09755	1.1
247.16862	1.5
265.08185	4.7
265.10971	4.0
265.19104	100.0
266.19540	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1433
Annotation	[3aR-(3aalpha,6alpha,8abeta,9aalpha)]-3a,4,6,7,8,8a,9,9a-Octahydro-6-hydroxy-5-(hydroxymethyl)-8a-methyl-3-methylenenaphtho[2,3-b]furan-2(3H)-one
Peak:m/z	Relative Intensity
53.03914	4.6
55.05494	11.4
65.03929	7.7
67.05504	26.5
69.03423	37.7
69.07051	6.6
70.86910	13.9
71.04987	5.2
77.03956	3.2
79.05497	19.6
81.07059	22.2
83.04963	12.6
91.05473	43.7
93.03371	5.0
93.07040	39.6
95.04969	48.7
95.08600	26.6
96.11704	4.2
96.99460	3.6
97.02910	6.9
97.06506	9.9
99.04441	5.9
105.07023	68.2
107.04942	7.1
107.08590	25.1
109.02879	4.3
109.06516	36.1
109.10156	8.0
111.04424	25.7
111.08071	10.8
113.05981	16.0
115.05413	9.8
117.07002	17.9
119.07790	7.1
119.08586	99.5
119.19387	3.8
121.02865	7.5
121.06499	45.4
121.10118	14.3
123.08058	25.4
125.05975	3.8
128.06201	9.5
129.06960	11.4
131.08574	41.6
133.06448	11.3
133.10120	18.4
135.07097	6.5
135.08049	79.8
137.09616	17.9
139.03882	9.3
139.07529	8.9
141.06979	9.5
142.07790	11.1
143.08569	11.1
144.05669	7.5
144.09297	7.8
145.02827	15.9
145.06468	12.2
145.10115	33.9
146.07272	7.9
147.08047	43.6
147.11647	12.2
149.06013	5.3
149.09700	8.8
151.07489	8.6
154.07802	4.5
155.08557	9.8
156.09344	7.9
157.06538	6.3
157.10132	22.1
158.07266	20.6
158.11014	4.1
159.08054	37.0
159.11647	34.0
161.09654	44.3
163.07529	5.5
165.09085	33.5
168.09375	4.7
169.10069	7.7
171.08069	7.2
171.11681	7.9
172.08844	20.4
173.09579	15.7
173.13274	16.6
175.07536	75.6
175.11156	41.7
177.05466	33.3
183.11694	16.6
185.09612	9.0
186.10364	4.8
187.07584	7.5
187.11174	51.4
189.09102	14.3
189.12776	14.2
193.08617	22.5
196.08867	9.1
199.11136	16.8
201.12772	38.6
203.10648	59.7
205.12216	8.2
207.10220	8.6
211.11166	28.3
217.12274	26.7
219.13753	16.4
229.12180	38.1
235.13251	12.2
247.13249	69.2
265.14313	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.107
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.3
56.96551	0.3
59.04995	0.3
65.03938	0.7
67.05511	0.6
69.36060	2.1
69.36465	0.6
79.05486	0.6
81.07039	0.5
83.04984	0.3
85.06522	0.4
91.05479	5.8
98.20687	0.6
105.07013	0.4
107.08639	0.6
109.10182	0.3
110.37930	0.2
115.05619	0.3
119.04942	19.9
121.02854	0.4
121.06557	0.4
121.10168	0.3
122.07129	0.5
125.05949	0.3
131.08566	0.3
145.06448	0.3
147.04404	100.0
148.04738	0.5
148.37303	0.3
149.01123	0.3
163.03993	0.4
187.11348	0.3
201.12624	0.3
207.08060	0.5
219.10075	0.4
235.07471	0.3
247.09644	2.9
265.08408	1.0
265.10916	0.9
265.14478	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1433
Annotation	[3aR-(3aalpha,6alpha,8abeta,9aalpha)]-3a,4,6,7,8,8a,9,9a-Octahydro-6-hydroxy-5-(hydroxymethyl)-8a-methyl-3-methylenenaphtho[2,3-b]furan-2(3H)-one
Peak:m/z	Relative Intensity
55.01877	9.3
55.05503	15.8
56.96556	12.2
57.03442	5.1
59.62852	4.1
62.85884	4.3
65.03948	6.0
67.05507	33.8
69.03422	53.8
69.07056	14.4
69.25888	3.9
70.06588	5.4
70.99280	10.0
71.04984	16.1
72.08150	11.6
73.02896	4.2
79.05515	22.5
81.03410	4.8
81.07043	29.9
83.04955	10.7
83.08545	4.5
85.02891	11.2
86.09729	4.2
90.30338	4.8
91.05484	64.6
93.07046	57.2
95.04961	50.8
95.08614	29.5
97.02892	16.9
97.06529	9.4
99.04462	11.0
103.05445	9.9
105.07024	93.6
107.04998	11.0
107.08565	33.3
109.02905	5.5
109.06508	40.5
109.10180	10.6
111.04419	45.7
111.08060	11.2
113.06012	17.6
115.05437	11.1
116.06234	10.2
116.98600	6.1
117.03392	7.3
117.07029	20.9
118.51690	5.6
119.05005	6.0
119.07779	3.6
119.08565	90.8
119.09357	8.0
120.08100	51.0
121.02852	18.2
121.06496	65.6
121.10138	16.9
122.07136	18.6
123.08058	22.7
125.06001	10.0
125.86267	4.1
128.06218	12.0
129.07030	20.8
130.07747	8.4
131.04927	8.8
131.08568	57.1
133.06453	15.2
133.10124	28.3
134.99670	5.0
135.08051	89.9
137.05928	10.8
137.09633	18.3
139.03880	9.4
139.07515	9.9
141.06995	12.3
142.07805	10.8
143.08540	24.1
144.04726	5.9
144.09325	9.8
145.02827	18.7
145.06467	24.6
145.10117	40.3
146.07225	6.8
147.04465	7.6
147.08020	44.6
147.11655	19.3
149.05972	20.5
149.09598	23.4
151.07533	10.3
155.08540	9.8
156.09354	10.8
157.06512	9.0
157.10127	27.7
158.07266	26.6
159.08046	44.2
159.11679	47.4
160.08853	7.4
161.05910	7.1
161.09619	52.7
161.13309	6.4
163.07558	6.3
165.09131	44.9
167.07091	12.0
168.09363	11.2
171.08014	15.6
171.11702	11.3
172.08868	20.4
173.09596	20.2
173.13272	29.2
175.07521	87.4
175.11189	42.2
177.05464	42.5
183.03329	7.4
183.11696	18.2
185.81288	5.9
187.07515	8.2
187.11188	46.4
189.09117	17.8
189.12665	22.4
191.07036	6.5
193.08609	16.4
196.08685	11.7
199.11203	19.3
201.12746	43.0
203.06937	5.1
203.10672	61.2
205.08606	12.2
205.12303	12.3
211.11145	28.9
217.08604	8.3
217.12173	32.9
219.13828	14.7
223.06512	5.2
225.04338	7.3
229.08644	9.6
229.12207	49.8
235.09683	5.9
235.13309	15.8
241.07440	8.7
247.09692	12.0
247.13235	77.1
261.52008	5.2
265.07016	6.2
265.14294	100.0
266.18683	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	265.1068
Annotation	Scytalol D
Peak:m/z	Relative Intensity
53.03936	2.1
55.05519	1.5
56.96569	1.5
57.03432	2.4
67.05479	1.9
69.03425	68.3
69.98835	5.1
70.06586	2.4
71.04979	2.9
72.08151	88.4
77.75107	1.1
79.05479	2.5
81.03441	1.9
81.07074	2.4
83.04973	3.0
85.02886	8.6
87.04459	1.8
91.05473	14.4
93.07040	24.6
95.04974	6.0
95.08646	1.7
97.02882	3.1
98.20782	1.7
99.04475	4.8
103.05452	17.5
105.07015	7.4
107.04956	2.8
107.08597	1.6
109.02869	2.1
109.06524	1.9
111.04435	17.4
113.06041	2.2
114.08013	1.4
115.05450	3.0
117.07018	5.3
119.04953	4.8
119.08609	3.2
120.08107	20.9
121.06496	68.5
122.07138	4.4
123.04437	5.6
125.05994	2.4
128.06229	2.2
129.07007	4.9
131.04924	27.6
131.08578	4.1
133.06499	4.2
133.10124	2.1
135.04391	1.5
135.08080	2.9
137.05974	19.8
141.07005	3.5
143.04878	1.5
143.08571	2.0
145.06493	5.5
145.10085	3.6
147.04440	4.0
147.08037	2.2
149.05977	100.0
150.06241	1.4
151.07497	6.6
155.08569	2.9
157.06497	5.6
159.08076	4.6
159.11670	2.7
161.05988	9.0
161.09576	2.3
163.03923	2.0
163.07616	2.4
165.05490	9.8
165.06842	2.0
165.09224	1.6
167.07031	65.0
171.08127	1.3
173.05975	3.5
173.09573	2.3
175.07536	11.1
175.14746	1.4
177.05466	1.9
179.07037	4.1
183.08080	3.1
185.05914	2.3
187.07481	7.7
187.11104	2.9
189.05473	11.9
189.09018	1.9
191.07080	7.0
197.04765	1.4
201.09155	5.2
201.12759	1.9
203.07022	6.4
205.08548	5.0
207.06546	11.9
217.08609	4.4
219.10150	4.8
229.08611	10.5
229.12149	2.2
235.09770	2.8
247.09662	62.6
247.13513	3.5
254.13786	1.3
263.57123	1.3
265.08389	2.1
265.10782	15.8
265.15500	12.1
289.93054	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1069
Annotation	Scytalol D
Peak:m/z	Relative Intensity
52.10089	1.6
55.01864	6.3
55.05502	2.5
58.81447	1.9
60.62148	1.4
65.83093	1.7
67.05493	2.9
68.04543	1.9
69.07052	2.3
70.62041	3.3
70.62398	4.6
79.05491	12.8
81.03422	24.5
81.07043	6.0
83.04954	4.1
91.05469	13.4
93.07023	3.1
95.04952	3.7
95.08588	4.3
103.05489	4.2
105.07016	7.2
105.45947	2.1
107.04951	31.9
107.08587	1.8
109.10157	3.1
115.05452	23.5
116.06219	5.4
117.07008	26.7
119.04928	1.8
119.08544	2.7
123.04381	2.8
123.78509	1.9
124.05201	7.7
125.05969	5.0
128.06194	4.6
129.07001	11.9
131.04935	6.4
131.08575	13.1
132.05696	2.2
133.06500	5.9
141.06973	13.1
143.04881	5.4
144.05716	19.0
145.06480	54.1
147.04385	6.9
147.08090	3.3
152.04686	3.5
155.04868	4.5
155.06050	8.4
156.05687	5.1
157.06461	11.2
158.07259	8.4
159.08047	24.7
160.05219	3.5
161.05954	12.3
167.07042	76.9
169.06473	6.4
169.07709	2.4
172.05170	7.2
173.05986	78.9
175.03867	2.4
175.07556	9.1
177.08995	2.8
178.06354	2.5
186.06787	4.8
187.07532	34.8
190.06245	44.8
191.07013	6.5
192.07808	4.6
193.08591	5.0
194.07344	2.2
202.06204	3.6
203.07060	16.3
204.07732	4.8
205.08597	100.0
206.21750	2.0
207.10185	5.5
215.07021	11.0
217.08572	25.9
218.09363	22.9
219.08109	3.5
219.10123	25.9
229.08667	3.5
235.09671	11.9
237.11182	2.5
247.07089	3.4
247.09644	49.6
265.08386	3.8
265.10690	25.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1068
Annotation	Scytalol D
Peak:m/z	Relative Intensity
51.21067	0.5
53.03934	0.9
55.01865	1.4
55.05522	1.0
56.05007	0.6
56.96567	0.8
57.03429	2.0
65.03938	0.5
67.05493	1.7
69.03426	36.8
69.07048	0.6
69.88186	0.4
69.88979	1.3
69.89406	2.2
70.06578	1.7
71.04994	2.3
72.08151	100.0
73.02939	0.7
73.43308	0.4
79.05494	1.3
81.03416	0.9
81.07058	1.2
83.04987	2.1
85.02900	4.0
91.05471	10.1
91.06009	0.8
93.07038	13.7
95.04970	2.8
95.08611	1.3
97.02909	2.2
98.97581	0.6
99.04459	2.6
103.05466	8.6
105.07008	4.0
107.04967	2.1
107.08563	0.5
109.02851	0.9
109.06534	1.0
109.10191	0.7
111.04432	7.8
113.05992	0.6
113.08610	0.5
115.03935	0.8
115.05461	2.1
116.98634	0.7
117.07016	1.6
119.04945	2.4
119.08575	2.6
120.08098	15.1
120.08916	1.0
121.02895	0.7
121.06501	36.6
121.10152	0.5
122.06119	0.4
122.07166	2.3
123.04418	2.7
125.06028	1.5
128.06216	1.1
129.05508	0.8
129.07002	2.3
131.04912	14.2
131.08559	2.4
133.06493	2.3
133.10127	1.4
135.04437	1.0
135.08078	2.2
137.05966	10.7
138.06354	0.8
141.07010	1.7
142.07767	0.7
143.04910	0.7
143.08577	0.9
143.93875	0.5
144.04735	0.6
144.05766	1.1
145.02829	0.8
145.06462	3.2
145.10129	1.1
147.04449	1.7
147.08072	1.2
147.11815	0.5
149.05974	46.2
151.03975	0.7
151.07484	3.0
153.07031	0.8
155.08592	1.5
157.06500	3.0
158.07315	1.1
159.08055	2.9
159.11708	1.3
160.05162	0.7
161.05977	5.3
161.09584	1.1
163.03958	1.3
163.07593	2.2
165.05495	4.8
165.06868	0.9
165.09068	1.1
167.07033	32.7
169.06503	0.9
171.08063	0.8
173.06050	2.1
173.09654	0.7
173.13213	0.5
175.07521	6.4
175.08820	0.6
175.11223	1.0
177.05518	2.0
177.09169	0.8
179.07057	1.7
183.08109	1.5
185.06038	1.1
187.04439	0.6
187.07506	3.5
187.11200	1.1
189.05516	4.3
189.09167	1.0
190.06178	0.6
191.07001	3.8
201.09161	2.2
201.12778	1.3
203.06998	3.2
203.10786	1.3
205.08607	2.4
205.12517	0.5
207.06543	5.0
211.07622	1.1
211.11325	0.9
217.08624	2.8
219.10330	1.3
219.13736	0.7
222.06914	0.6
224.48163	0.5
229.08672	4.4
229.12286	1.6
235.09775	1.3
244.05882	0.7
247.09647	27.6
247.13409	1.3
265.08569	0.9
265.10941	5.7
265.15527	13.1
265.25372	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.107
Annotation	1'-Acetoxyeugenol acetate
Peak:m/z	Relative Intensity
63.77476	1.6
67.05482	2.4
69.03433	6.8
71.62685	3.0
72.13937	1.7
72.98624	1.8
79.05483	3.5
81.03397	2.1
81.07043	3.5
83.04968	2.1
85.02934	2.4
91.05480	7.2
93.07043	5.8
103.05470	6.3
105.07056	2.4
106.02322	1.9
107.04948	3.4
107.08589	3.2
109.06563	2.1
111.04456	1.9
115.05459	29.2
117.07021	41.2
119.08566	4.6
121.02877	3.7
121.06504	6.5
122.07153	2.2
128.06229	4.2
129.07001	5.7
131.04964	5.7
131.08560	5.6
133.10121	2.5
141.07036	2.8
145.06483	96.1
147.04433	3.0
147.08028	4.4
149.05978	9.6
149.09612	4.9
155.05992	12.2
156.05713	18.7
157.06511	6.3
159.08058	5.8
160.05165	2.4
161.05954	7.5
163.11203	2.1
167.06953	11.3
173.05988	100.0
174.06503	2.3
175.03946	2.0
175.07570	5.0
179.08556	4.3
179.40376	1.9
182.09331	1.9
187.07538	6.3
187.11139	2.3
189.05478	4.1
189.07027	4.4
190.06262	42.5
191.06920	3.1
191.08649	3.3
194.07237	3.8
202.06218	4.4
203.07004	20.2
205.08601	97.5
206.07332	2.2
206.09262	2.5
207.08069	19.2
207.10036	17.3
217.08589	67.8
219.08115	2.1
219.10162	3.1
229.15820	2.7
235.07509	13.0
235.09636	17.2
237.09062	3.0
247.07419	2.3
247.09648	10.4
247.13412	3.2
247.16876	3.6
265.08511	36.3
265.10660	36.8
265.14658	3.0
265.17792	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	265.1071
Annotation	1'-Acetoxyeugenol acetate
Peak:m/z	Relative Intensity
51.69070	1.6
53.03944	1.6
55.01867	11.0
55.05513	2.2
55.26939	1.4
67.05497	3.5
70.86745	2.7
70.87060	2.3
79.05494	16.5
81.03419	22.8
81.07052	3.2
83.04969	6.6
86.17766	1.5
90.69301	1.6
91.05470	17.3
93.07034	1.9
95.04971	3.4
95.08576	2.7
101.06023	2.8
103.05491	3.7
105.07023	6.8
107.04951	28.1
109.10185	1.9
115.05460	21.6
116.06233	5.0
117.07013	31.5
119.04938	17.5
122.07065	1.7
123.04424	1.9
124.05219	7.4
125.05980	4.4
128.06223	6.7
129.06982	14.2
130.04153	1.7
131.04897	5.8
131.08563	16.8
132.05681	3.6
133.06480	4.9
141.06970	12.8
143.04909	4.4
144.05701	20.9
145.06485	66.8
147.04408	83.6
147.08078	4.6
149.09589	1.8
152.04683	3.4
155.04951	3.3
155.06032	7.9
156.05705	8.9
157.06490	13.9
158.07275	7.0
159.08052	36.2
160.05229	3.2
161.05954	11.5
163.03877	2.4
165.05519	7.3
167.03406	2.1
167.07040	78.3
169.06522	5.1
169.07724	3.7
172.05219	6.7
173.05980	69.7
175.07478	8.8
178.06203	2.7
185.06010	1.9
186.06810	4.1
187.07544	42.8
189.05476	2.2
190.06245	40.2
191.07030	9.9
192.07848	4.9
193.08632	4.7
202.06273	2.5
203.06984	14.4
205.08601	100.0
207.10179	6.2
215.07057	11.0
217.08588	29.1
218.09357	20.3
219.10167	32.9
223.09521	2.3
229.08530	2.4
235.09566	9.9
237.11226	4.7
247.09665	52.2
265.07248	5.1
265.10681	34.3
265.17831	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	264.2324
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32510	1.2
55.05500	4.2
57.07062	2.3
60.04526	99.0
67.05489	5.1
67.61729	1.1
69.07061	8.6
69.69716	8.0
79.05499	5.2
81.07056	40.3
82.07378	1.2
83.08603	1.8
91.05470	2.0
93.07038	30.0
95.04975	1.1
95.08601	13.9
105.07044	2.3
107.08595	9.7
109.10145	10.0
111.11731	1.6
112.21000	1.2
121.10139	100.0
123.11665	5.2
135.11656	8.2
137.28729	1.0
138.92514	1.0
147.04373	1.7
147.11581	1.2
149.12184	1.8
149.13266	23.7
149.64494	1.1
163.14873	2.3
205.19510	50.9
251.70781	1.1
252.47952	1.2
264.10300	1.9
264.23383	7.6
265.08545	1.3
272.26077	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	264.2321
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09620	0.2
50.78563	0.3
55.05497	0.4
56.49676	0.3
57.07064	0.3
58.06598	13.6
60.04514	0.7
64.20573	0.3
67.05515	1.2
69.07067	0.8
69.94906	0.6
69.95319	1.1
71.08627	0.4
79.05477	0.8
81.07053	2.6
82.07369	0.3
83.08618	0.6
85.06506	0.3
91.05468	1.1
93.07036	1.5
94.07366	0.4
94.97673	0.3
95.08601	2.3
96.08111	0.6
96.08913	0.3
97.06534	0.4
105.07021	2.6
107.08617	1.6
108.08133	0.6
109.06532	0.3
109.10113	1.5
119.08567	0.9
121.10142	1.5
123.11670	1.0
131.08559	0.3
133.10135	4.6
135.11674	0.6
145.10138	0.8
147.04395	0.4
147.11682	1.6
149.13243	1.3
151.11188	0.9
152.14229	0.3
159.11752	0.3
161.13179	0.5
163.14815	2.2
176.10825	0.2
180.17471	0.6
189.16382	3.7
205.19429	0.4
206.19029	0.5
206.55727	0.2
207.17351	1.7
219.07968	0.3
229.19502	0.7
246.22151	5.8
247.20490	0.5
264.10272	0.7
264.23218	100.0
265.08499	0.4
265.12085	0.3
265.23575	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.107
Annotation	Unknow
Peak:m/z	Relative Intensity
60.90636	1.3
67.05482	1.9
69.07037	1.3
71.04993	1.1
71.54818	2.5
73.64146	1.3
79.05505	1.3
81.03393	2.2
81.07034	4.5
88.95196	1.1
91.05471	5.0
95.08604	3.6
103.05460	6.1
105.06968	1.5
107.04948	1.4
107.08556	2.2
113.78262	1.2
115.05444	19.6
117.07010	48.4
117.07850	2.3
118.24770	1.1
119.04928	2.6
119.08589	3.6
121.06490	1.3
122.07102	1.8
126.44205	1.0
128.06250	2.1
129.06982	5.2
130.04149	2.4
131.04955	1.3
131.08537	1.9
132.05725	1.2
141.07076	1.3
144.05725	2.4
145.06471	86.5
147.04379	8.5
147.08002	3.7
149.13356	1.1
155.04941	1.7
155.06046	9.8
156.05702	20.7
157.06430	3.9
159.08023	4.2
160.05186	2.4
161.05957	5.5
163.03922	1.2
167.07033	4.6
173.05968	100.0
175.07481	3.2
178.07808	1.4
179.08548	1.8
187.07512	4.5
190.06239	34.7
190.07675	1.5
191.07033	2.3
191.08540	9.9
194.07249	1.4
202.06258	7.1
203.07001	16.0
203.08710	2.4
205.08580	80.2
217.08586	63.0
219.08073	6.6
222.06505	1.9
223.09575	1.2
229.12175	1.3
234.10451	2.0
235.07509	2.9
235.09628	8.6
247.09669	3.1
247.17139	1.3
249.09065	18.1
250.05981	2.1
250.09837	3.7
261.06488	1.2
265.08377	8.3
265.10693	2.6
265.12106	3.9
266.11752	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	264.1018
Annotation	Triclisine
Peak:m/z	Relative Intensity
55.60125	0.1
66.20504	0.1
69.97723	0.5
77.43359	0.1
91.05418	0.1
98.20844	0.2
105.76350	0.1
108.36647	0.1
118.64583	0.1
178.07829	0.4
179.08562	3.0
189.06990	0.4
191.07147	0.2
192.08047	0.1
194.07245	0.3
194.49751	0.1
204.08107	0.4
205.06923	0.2
205.08844	1.5
206.09644	37.0
207.08041	1.7
207.10004	0.7
208.11259	0.3
209.09669	0.1
217.06403	0.3
217.08812	0.5
218.07515	0.1
218.09584	0.4
219.08058	0.2
219.10240	0.1
233.08376	0.4
234.09126	18.2
235.07494	1.3
235.09782	0.9
236.08340	0.3
236.10724	0.7
263.09390	0.7
264.10178	100.0
265.08505	2.4
265.10629	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	264.2322
Annotation	Victoxinine
Peak:m/z	Relative Intensity
55.05509	0.4
57.07058	0.6
57.63060	0.3
58.06598	16.0
60.04515	0.7
60.23853	0.3
67.05496	1.5
69.07053	1.1
70.67484	0.9
70.67845	0.5
79.05473	0.6
80.43531	0.3
81.07056	2.7
82.07376	0.3
83.08606	1.1
84.08134	0.3
89.94817	0.3
91.05463	0.7
93.07040	1.5
95.08595	2.6
96.08128	0.3
103.83871	0.3
105.07025	3.1
107.08580	1.7
108.08103	0.7
109.10160	2.5
119.08581	0.9
121.10185	1.9
122.09699	0.4
123.11700	0.4
133.10123	5.3
135.11662	0.7
145.10132	0.8
147.11658	1.9
149.13263	1.8
151.11145	0.8
159.11731	0.3
161.13237	0.4
163.14848	2.8
180.17522	0.6
187.14819	0.6
189.16373	4.2
200.43860	0.3
206.18951	0.6
207.17468	1.1
229.19502	0.6
234.69591	0.3
246.22162	6.9
264.23215	100.0
265.08560	0.4
265.23502	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.237
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
53.03938	1.9
53.32301	0.8
55.01855	1.9
55.05263	1.1
55.05511	12.9
57.03429	2.1
57.07074	9.5
61.74974	0.7
65.03932	1.9
67.05505	80.7
68.05810	0.9
69.06728	0.6
69.07064	15.1
69.47152	4.7
69.47582	2.1
70.59411	0.7
71.04170	0.7
71.04976	1.9
71.08636	6.9
79.05494	18.6
81.07056	100.0
83.04955	1.9
83.08620	13.3
85.02853	0.8
85.06538	4.0
85.10181	2.7
91.05475	16.9
91.06017	1.5
93.07047	24.0
95.04973	2.2
95.08604	83.8
97.06530	7.4
97.10167	6.3
99.08099	4.2
105.07023	14.1
107.08582	14.7
109.06512	1.4
109.10157	43.3
111.08095	5.1
111.11736	1.2
113.09643	2.6
119.08583	15.0
121.10133	15.5
123.08083	1.6
123.11706	19.6
125.09663	0.9
127.11172	2.1
131.08496	1.2
133.10127	17.6
135.11678	10.3
137.09619	1.8
137.13248	8.9
141.12723	1.9
147.11702	12.9
149.13255	9.5
151.11198	1.9
151.14832	8.3
155.14325	2.9
161.13249	10.1
163.14807	8.1
165.16414	8.1
175.14821	8.1
177.16373	1.9
179.17937	4.6
181.15855	1.3
189.16428	4.4
202.46411	0.8
203.17966	6.7
204.48587	0.8
205.19604	0.9
217.19492	1.9
219.21091	0.9
221.19080	1.5
224.62242	0.7
245.22653	38.0
263.23706	85.1
264.24014	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	263.2369
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
53.03941	1.4
54.80573	0.8
55.01860	1.2
55.05508	13.6
57.03434	2.3
57.07075	12.4
59.72048	0.9
65.03944	2.0
67.05499	87.0
69.07063	18.3
69.27931	3.3
69.28363	7.6
71.04995	1.3
71.08628	8.7
79.05484	22.7
81.07051	100.0
83.04973	1.1
83.08617	15.5
85.06547	3.3
85.10193	3.4
91.05470	18.1
93.07035	25.8
95.04974	2.3
95.08598	87.3
96.84666	1.1
97.06525	9.9
97.10162	8.0
99.08095	4.8
105.07020	13.1
107.08582	15.4
109.06532	3.2
109.10149	46.0
111.08071	5.2
113.09648	2.8
119.08562	15.3
121.10126	19.6
121.10912	1.4
123.08092	2.9
123.11693	21.9
125.09633	1.5
127.11208	1.6
131.08586	1.0
133.10120	15.5
135.11668	10.1
137.09647	2.2
137.13242	8.7
139.11197	1.8
141.12753	3.4
147.11670	13.6
149.13255	9.3
151.14806	7.3
155.14313	2.1
161.13235	10.9
163.14828	10.2
165.12813	1.3
165.16370	11.4
167.14391	1.2
175.14847	8.1
177.16409	1.7
179.17897	5.7
181.15858	1.2
189.16444	3.5
203.18008	1.4
212.57083	0.9
217.19640	1.2
219.21126	1.0
245.22731	41.0
263.23792	79.4
264.24213	1.7
270.20612	0.9
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
53.03931	1.8
55.01871	0.8
55.05511	14.8
57.03429	1.8
57.07075	10.2
64.01860	0.6
64.67575	0.6
65.03937	2.1
67.05501	84.4
69.01782	0.7
69.07064	16.7
69.57115	2.1
69.57541	3.0
71.05001	1.1
71.08620	7.3
79.05486	20.2
81.07050	100.0
83.04996	1.9
83.08618	14.3
85.06532	4.5
85.10170	3.7
90.72507	0.6
91.05472	16.3
91.06007	1.3
93.07040	24.2
95.04969	2.0
95.08601	89.2
97.06525	7.9
97.10165	8.5
98.21475	1.2
99.08100	6.0
104.99306	0.8
105.07023	12.3
107.08588	14.5
107.09295	1.1
109.06536	1.1
109.10152	47.4
111.08073	5.5
111.11729	1.3
112.90230	0.7
113.09628	3.4
114.20107	0.7
117.07016	0.7
119.08566	9.8
121.10143	18.4
123.08076	2.7
123.11703	20.8
125.09636	1.1
127.11191	1.7
131.08556	0.7
133.10126	15.1
135.11688	10.6
137.09616	2.5
137.13257	8.5
139.11169	1.2
141.12755	2.2
147.11681	11.1
149.13258	9.1
151.11111	1.1
151.14821	9.9
155.14313	2.9
161.13252	12.3
163.14818	10.0
165.16389	12.8
169.15826	0.7
175.14815	9.3
177.16389	2.5
179.17937	5.4
181.15883	1.2
189.16371	3.5
193.15904	0.8
203.17976	1.2
217.19472	1.5
219.21103	0.8
221.19043	0.8
245.22629	41.0
263.23688	94.1
264.23956	1.3
274.07037	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2368
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
51.53391	3.7
54.96123	3.8
55.05495	13.6
57.07059	15.8
67.05505	71.7
69.07056	18.6
70.06625	4.2
71.08624	8.8
71.60610	8.1
79.05489	21.7
81.07053	76.0
83.04956	5.2
83.08624	10.8
85.06534	6.4
89.60564	4.4
91.05474	26.0
93.07030	31.3
95.08610	65.2
95.97084	4.5
96.30642	5.6
97.06545	6.9
97.07628	4.6
97.10147	5.3
105.07040	21.5
107.08553	24.4
109.06451	5.9
109.10140	35.9
111.08086	9.0
111.09187	6.4
119.08561	17.2
121.10159	21.5
123.09184	5.2
123.11690	13.1
133.10144	23.6
135.11647	10.9
137.13246	5.7
147.11664	16.4
149.13278	8.8
161.13240	13.3
163.14777	12.1
165.16351	10.5
175.14822	9.3
177.16263	4.7
189.16251	5.1
203.10156	3.8
245.22656	50.9
257.27795	4.4
263.16318	7.4
263.23706	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2367
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
50.85345	1.3
52.29210	1.6
55.05507	14.2
57.03418	2.8
57.07071	14.7
63.53068	1.5
67.05500	81.9
68.05825	1.4
69.07063	15.7
70.90491	3.6
70.90822	1.8
71.08640	7.2
72.61510	1.6
75.44698	1.4
77.60258	1.4
79.05482	20.4
81.07051	100.0
82.07343	1.9
83.04981	2.0
83.08620	17.2
85.06535	3.5
85.10177	3.3
91.05471	16.8
93.07030	23.3
95.04950	3.3
95.08603	84.0
97.06534	9.7
97.10162	4.6
98.60676	1.4
98.69049	1.4
99.08087	4.2
105.07044	12.1
106.24291	1.8
107.08585	12.9
109.06490	2.6
109.10152	41.8
111.08109	7.8
113.09637	2.3
119.08579	11.4
121.10124	18.5
123.08048	5.1
123.11712	18.8
133.10123	15.4
135.11696	10.0
137.09583	4.8
137.13222	8.3
141.12752	1.8
147.04405	5.6
147.11664	11.2
149.10597	1.4
149.13252	7.9
151.11102	1.6
151.14813	6.8
161.09587	1.8
161.13255	10.1
163.14816	8.2
165.16379	7.9
175.14828	7.0
179.17874	4.2
189.16394	5.4
203.17931	2.7
233.09674	2.0
245.22650	34.6
247.11583	2.5
263.07166	2.3
263.14648	27.4
263.23724	98.5
268.68735	1.6
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	Unknow
Peak:m/z	Relative Intensity
50.85700	1.3
53.03933	2.1
55.01851	1.8
55.05306	1.3
55.05508	17.0
57.03419	2.2
57.07079	9.3
64.68673	1.2
65.03934	2.1
67.05499	80.1
68.60822	1.3
69.07063	17.7
71.08627	6.6
71.60452	2.1
79.05485	21.4
81.03405	1.9
81.07052	88.2
83.04958	2.2
83.08619	15.3
85.10168	4.3
91.05481	16.0
93.07038	19.7
95.04968	4.0
95.08599	80.6
97.06526	10.6
97.10147	6.3
99.08089	4.9
105.07027	12.2
107.08597	12.3
109.06509	4.2
109.10145	41.2
111.08064	6.1
111.11635	1.4
113.09656	3.0
119.08590	9.8
121.06405	1.2
121.10129	15.7
123.08076	4.5
123.11694	16.4
127.11178	1.6
131.08611	1.6
133.10118	13.5
135.11697	9.0
137.09608	5.2
137.13286	8.4
141.12724	2.2
147.04404	1.7
147.11696	10.3
149.13268	9.8
151.11156	1.5
151.14774	7.4
161.13258	9.0
163.14801	8.6
165.16417	9.3
168.47935	1.3
168.50607	1.4
173.46545	1.5
175.14781	7.7
178.07814	1.4
179.08556	1.4
179.17975	4.2
181.15790	1.3
189.06900	2.0
189.16379	3.8
199.37126	1.3
199.44116	1.3
207.08031	5.7
235.07518	5.4
245.20341	2.5
245.22647	29.8
245.24945	2.3
263.07077	11.3
263.14493	10.1
263.23706	100.0
264.10251	2.0
264.23630	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1277
Annotation	Trixol
Peak:m/z	Relative Intensity
51.87649	1.4
53.03939	1.6
55.01865	3.5
55.05508	1.7
67.05505	3.5
69.03430	9.7
69.07037	1.1
69.28709	3.2
69.29127	12.0
77.36503	1.3
79.05477	5.4
81.07053	6.9
81.76239	1.3
83.04972	3.2
85.02885	2.9
87.04465	3.3
91.05447	7.6
93.07053	6.2
95.04962	6.1
95.08573	3.0
97.02866	3.7
97.06533	14.4
105.04629	1.2
105.07040	10.4
107.04971	1.6
107.08582	12.5
109.02222	1.5
109.02872	5.2
109.06527	4.8
109.10168	2.8
111.04431	7.2
113.02348	4.4
115.05473	2.2
117.07008	5.8
119.08575	9.0
121.06516	4.9
121.10134	2.2
123.04415	8.0
123.08056	4.1
128.06200	4.4
129.06984	4.3
131.08600	6.4
133.06435	3.6
133.10144	3.0
135.04424	1.9
135.08051	100.0
137.05968	4.8
139.03911	2.2
139.07497	2.3
141.06932	2.9
142.07784	4.7
143.08554	8.8
144.09285	2.0
145.06491	4.0
145.10060	3.1
147.08073	7.2
147.11676	1.6
149.05936	3.3
149.09596	1.9
151.07552	2.6
153.06979	1.7
154.07686	1.4
155.08530	2.1
156.09351	8.5
157.06497	2.4
157.10126	7.3
158.07289	2.2
159.08028	8.1
159.11655	7.3
160.08832	3.7
161.06006	2.4
161.09651	4.6
161.13310	1.8
163.07535	2.5
165.06972	1.9
165.09152	2.6
165.32617	1.6
166.07703	2.2
169.06531	1.7
171.08014	3.9
171.11668	8.3
172.08839	5.0
173.09613	9.6
174.06895	1.3
175.07552	4.7
175.11182	3.1
181.10176	4.2
184.08839	5.7
185.06088	1.3
185.09642	6.5
187.07578	2.7
187.11188	30.5
188.08328	2.6
189.05336	1.4
189.09082	3.6
189.12744	3.6
199.07515	3.0
199.11191	17.1
202.09871	1.8
203.06833	1.6
203.10667	34.1
203.12566	2.0
212.08426	2.7
215.10669	21.7
217.08611	2.8
217.12256	19.0
227.10678	15.0
233.08073	2.6
233.11681	23.8
245.11732	55.4
263.12796	24.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1641
Annotation	Paecilocin D
Peak:m/z	Relative Intensity
55.05509	2.1
57.07064	2.6
57.92760	1.0
67.05500	5.9
69.07039	2.3
74.77962	1.1
75.33642	1.0
79.05486	1.5
81.07056	9.4
84.13755	1.0
91.05483	9.7
93.07043	2.4
95.08600	8.2
97.06513	1.6
105.07005	2.1
107.04922	1.7
107.08576	2.1
109.10146	4.3
114.24595	1.2
119.04941	23.3
119.08612	2.0
121.10173	2.3
123.11671	1.8
123.86669	1.1
133.10083	1.8
135.11639	1.5
147.04405	100.0
147.11613	2.7
165.05472	40.4
179.88858	1.2
194.32796	1.2
204.18294	2.1
237.82272	1.3
245.22668	2.5
263.21921	9.5
263.23959	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	263.1276
Annotation	Arglanin
Peak:m/z	Relative Intensity
51.22492	1.0
55.01873	1.6
55.05515	2.0
67.05491	4.9
69.03401	5.2
71.04968	1.9
77.27098	1.0
79.05482	3.5
81.07040	5.2
83.04967	3.8
85.02888	4.2
91.05460	8.2
93.07066	9.5
95.04978	8.7
95.08603	12.9
97.02895	2.3
97.06521	22.7
99.04453	2.2
105.07062	8.7
107.04932	2.3
107.08614	6.7
107.09212	1.1
107.69242	1.2
109.06509	3.4
109.10145	1.4
111.04424	3.2
117.07028	1.9
119.08595	6.3
121.06470	6.3
121.10142	4.6
123.04448	9.9
123.08062	95.1
128.06215	1.5
129.07008	3.5
131.08556	4.9
133.10127	2.0
135.08058	9.5
137.05959	4.3
139.07516	4.4
142.07721	2.6
143.08578	4.0
145.06480	1.8
145.10051	1.7
146.07149	1.2
147.08063	5.1
147.11708	2.1
149.05977	2.4
153.09091	1.9
156.09296	2.7
157.10088	3.3
159.08032	6.4
159.11682	3.1
160.08765	1.7
161.05916	2.0
161.09630	4.5
163.07486	3.8
163.11130	2.2
165.09108	100.0
167.06981	2.4
169.06523	1.3
169.08598	1.6
171.08072	1.9
171.11636	2.6
172.08788	1.3
173.09612	4.0
173.13174	1.4
175.07594	2.0
175.11185	5.0
181.12227	2.6
185.09622	3.9
185.62007	1.4
186.38750	1.2
187.07458	2.0
187.11168	4.5
199.11235	7.8
203.10664	8.5
205.08588	15.2
212.08330	1.4
215.10657	5.0
217.12257	3.9
227.10603	5.2
227.12808	3.5
233.11671	8.4
245.11732	5.9
263.10156	1.7
263.12796	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	263.1276
Annotation	Arglanin
Peak:m/z	Relative Intensity
53.83595	1.2
55.01868	2.9
55.05506	2.3
61.38865	1.2
67.05506	5.8
68.01247	1.2
69.03420	5.0
69.07059	2.0
71.04995	1.5
71.61102	1.3
71.61510	2.7
73.02917	1.4
79.05486	2.9
81.07053	4.8
85.02928	3.2
91.05460	6.8
91.59891	1.5
93.07041	6.2
95.04964	12.1
95.08598	12.4
97.02891	4.0
97.06524	22.0
98.97592	1.7
99.04411	2.3
105.07026	8.7
107.04950	2.2
107.08618	6.3
109.05800	2.0
109.06478	6.3
111.04402	3.0
115.05442	2.1
117.07009	2.7
119.08524	6.6
121.06503	6.0
121.10136	3.2
123.04436	12.3
123.08059	97.2
129.06999	4.4
131.08557	6.2
133.06487	3.3
133.10118	3.8
135.08043	10.0
135.11662	1.7
137.05975	6.8
137.49216	1.3
139.07561	5.8
142.07791	4.2
143.08546	4.8
145.06511	3.3
145.10150	2.8
147.04401	2.5
147.08063	5.1
147.11688	2.4
149.06001	3.7
149.09628	3.5
153.06889	1.6
156.09370	4.0
157.10132	3.3
159.08069	7.2
159.11708	3.3
159.51659	1.5
160.08798	2.4
161.05937	3.4
161.09604	5.3
163.07564	3.9
163.11200	1.7
165.09108	100.0
167.07065	4.9
171.11661	3.8
173.09642	4.3
173.13255	2.1
175.07507	2.3
175.11195	6.5
177.09122	1.4
179.06955	1.7
181.10062	1.6
181.12328	3.2
184.08847	1.5
185.09645	3.2
187.07562	1.9
187.11176	5.2
189.12718	2.0
191.10661	2.0
199.11176	10.5
203.10648	9.2
205.08586	16.9
209.11761	2.6
212.08362	2.2
215.10710	5.3
217.12206	4.5
227.10664	6.9
227.12746	2.7
233.11728	6.8
245.08029	2.2
245.11737	6.9
260.32571	1.6
263.09326	4.3
263.12796	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	263.1278
Annotation	Picridin
Peak:m/z	Relative Intensity
55.01867	2.5
55.05479	4.7
57.03399	1.5
59.52295	1.4
67.05495	8.3
69.03423	10.1
69.07047	2.6
71.01335	1.5
71.61411	1.7
71.61790	1.7
73.45634	1.2
76.27698	1.4
79.05490	10.2
81.03421	2.2
81.07056	12.4
83.04971	18.4
85.02897	18.0
91.05476	11.1
93.07043	9.0
95.04983	8.6
95.08578	5.1
97.02851	3.3
97.06516	2.6
103.05464	1.9
105.07027	20.3
107.04946	2.8
107.08584	18.7
109.02825	3.5
109.06523	11.3
109.10129	6.4
111.04414	4.9
113.02368	36.6
115.05428	4.7
117.06997	6.8
119.04902	4.1
119.08593	10.4
121.06490	7.9
121.10117	4.4
123.04389	4.3
123.08057	4.3
123.11709	3.9
125.05975	2.1
128.06215	2.9
129.06993	6.1
131.03310	1.7
131.08551	5.3
133.06505	13.5
133.10083	6.8
135.04308	1.7
135.08038	25.6
135.11646	2.9
137.02274	1.8
137.05980	6.7
141.06967	5.0
142.07733	4.7
143.08553	9.7
144.09325	1.7
145.06485	3.0
145.10081	3.3
146.07216	1.5
147.04393	3.1
147.08015	6.4
147.11700	7.3
149.05977	2.1
149.09625	12.3
151.07562	2.6
151.11176	22.2
152.06068	1.8
153.07042	1.9
153.09048	3.0
155.08600	2.2
156.09338	15.6
157.06418	1.7
157.10095	6.5
159.08028	7.5
159.11653	4.7
160.08806	5.0
161.06004	23.3
161.09587	7.3
161.13223	3.4
162.55833	1.5
163.07510	7.6
163.11179	2.6
165.09103	2.2
166.07796	3.2
169.06468	2.6
171.08026	3.3
171.11696	12.0
172.08794	2.9
173.06081	2.4
173.09625	4.7
173.13251	1.8
174.10358	4.1
175.02682	1.3
175.07545	17.0
175.11177	22.1
176.11877	1.4
177.09099	2.9
177.12714	4.0
179.07010	5.4
181.10080	4.5
181.12233	2.5
183.07924	2.0
184.08809	7.8
185.09550	3.9
186.10266	1.7
187.07542	4.0
187.11134	6.3
188.08321	2.8
189.05435	7.6
189.09079	3.9
189.12703	9.8
193.08586	7.9
199.07524	1.8
199.11172	32.6
202.09885	5.5
203.06999	3.0
203.10651	25.1
207.06488	6.4
209.09552	2.6
212.08260	7.8
217.08742	2.6
217.12218	34.4
219.13741	1.8
227.07158	2.8
227.10669	39.1
227.12682	2.2
230.09291	2.2
233.11664	4.5
245.07884	2.6
245.11723	100.0
263.05460	2.2
263.09222	4.5
263.12762	84.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.2165
Annotation	Cryptophorine
Peak:m/z	Relative Intensity
51.54085	1.8
55.05483	2.2
57.07071	2.2
58.06573	2.0
60.04502	1.6
62.31775	1.5
67.05489	4.3
69.07070	2.0
71.15480	3.5
75.90273	1.9
79.05483	3.1
81.07035	6.9
84.08132	1.6
91.05463	4.7
93.07021	7.0
95.08606	11.3
97.06517	1.9
105.07025	10.5
107.08602	10.8
109.10152	7.4
110.09664	4.1
119.08579	10.5
121.10136	8.3
123.11683	3.4
127.41292	1.5
131.08563	1.7
133.10133	8.9
135.11652	1.7
144.03029	1.5
145.10181	2.9
146.73213	2.0
147.11626	12.7
150.10918	1.9
159.11772	1.5
161.13237	6.3
163.14801	2.1
175.14839	4.5
178.28473	1.5
187.14824	1.8
202.15822	1.9
203.17952	30.1
220.20665	3.5
221.19078	12.9
244.20618	23.3
246.11325	2.0
261.12753	1.8
262.14392	22.2
262.21646	100.0
263.22089	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0164
Annotation	Unknow
Peak:m/z	Relative Intensity
58.93996	3.3
59.93233	2.7
69.03453	3.2
69.49291	3.0
69.73480	2.7
71.57451	3.4
71.57912	4.8
76.91185	3.2
101.00895	16.0
119.01913	34.4
131.00180	4.6
131.01880	19.5
133.03452	5.9
137.03012	6.6
143.01891	31.2
155.01935	12.7
161.02948	100.0
173.02960	27.3
179.03903	3.9
185.02994	3.8
191.03967	22.2
198.41771	3.3
203.03993	10.2
233.05156	4.4
252.84438	3.3
263.01660	23.6
263.06039	30.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0163
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03458	11.0
94.60810	12.6
98.21526	22.4
98.97587	12.8
118.14085	11.5
119.01917	21.2
127.58115	11.5
143.01883	26.6
161.02963	90.9
173.02959	29.1
191.04057	19.5
203.04022	29.5
221.43958	10.6
231.13643	12.1
263.01553	100.0
263.03497	12.4
263.06134	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	263.0612
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09136	0.7
56.99389	0.6
58.83611	0.7
58.83914	0.7
69.86382	4.7
71.34044	0.7
82.99859	1.3
84.37057	0.7
97.02890	1.5
101.00875	11.2
106.57974	0.7
113.00862	3.0
119.01917	32.1
131.01903	22.5
133.03459	0.9
137.02962	4.9
143.01891	31.2
145.03444	1.8
149.02936	4.9
155.01865	11.3
157.03467	2.0
161.02954	100.0
162.03278	1.0
163.04514	0.8
173.02957	38.6
179.04039	3.4
184.04485	4.1
185.02913	4.3
191.04007	28.8
196.04410	0.8
197.02968	1.1
203.04013	16.0
214.05537	1.2
215.04083	0.8
221.05026	5.3
233.05116	2.4
239.06049	1.7
245.04900	1.0
263.06128	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	263.0612
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09136	0.7
56.99389	0.6
58.83611	0.7
58.83914	0.7
69.86382	4.7
71.34044	0.7
82.99859	1.3
84.37057	0.7
97.02890	1.5
101.00875	11.2
106.57974	0.7
113.00862	3.0
119.01917	32.1
131.01903	22.5
133.03459	0.9
137.02962	4.9
143.01891	31.2
145.03444	1.8
149.02936	4.9
155.01865	11.3
157.03467	2.0
161.02954	100.0
162.03278	1.0
163.04514	0.8
173.02957	38.6
179.04039	3.4
184.04485	4.1
185.02913	4.3
191.04007	28.8
196.04410	0.8
197.02968	1.1
203.04013	16.0
214.05537	1.2
215.04083	0.8
221.05026	5.3
233.05116	2.4
239.06049	1.7
245.04900	1.0
263.06128	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	261.2214
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84843	0.3
53.03941	1.2
53.53516	0.3
55.01865	0.4
55.05511	8.2
57.03432	1.2
57.07079	2.8
65.03943	1.4
67.05504	27.6
69.07066	8.4
69.07451	0.4
70.50489	1.1
71.05006	1.5
71.08624	1.1
76.46416	0.3
77.03908	0.7
79.05492	39.0
81.07056	33.5
83.04975	0.7
83.08620	5.1
85.06552	2.4
91.05479	18.1
92.74245	0.3
93.07043	52.5
95.04974	3.1
95.08605	24.9
95.09246	0.6
97.06528	2.6
97.10166	1.6
99.08086	2.0
103.11821	0.3
105.04495	0.8
105.07032	12.3
107.08594	34.6
109.06511	1.1
109.10156	10.5
109.10920	0.4
111.08090	1.7
111.11704	0.6
113.09649	0.8
117.07014	4.4
119.08581	11.2
121.10145	31.0
123.08081	1.1
123.11693	3.0
125.09622	0.5
129.07013	0.5
130.07794	0.3
131.08563	9.9
131.09518	0.6
133.10124	9.0
135.08112	0.4
135.11694	24.9
137.09625	0.9
137.13266	1.4
139.11205	0.4
145.10120	9.3
147.11697	8.1
149.13258	21.1
151.11218	0.5
151.14795	0.6
153.12747	0.7
159.11696	8.4
161.13258	8.5
163.11180	0.5
163.14819	13.7
165.12691	0.8
167.14436	0.3
173.13266	7.7
175.14824	3.3
177.12727	0.4
177.16377	3.6
179.14320	1.2
185.13226	0.4
187.14830	5.1
189.16388	0.4
191.14220	0.7
201.16405	1.9
203.61357	0.3
205.15907	0.8
215.17929	1.3
217.19598	0.8
218.00153	0.3
219.17441	1.0
233.18915	0.3
233.22649	1.1
243.21065	20.9
255.01842	0.4
261.22141	100.0
262.22348	1.0
273.02792	0.3
274.03046	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2214
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02391	0.4
53.02962	0.3
53.03937	1.7
55.01865	0.8
55.05259	0.7
55.05511	9.1
57.03433	1.1
57.07079	2.7
65.03944	1.0
65.05767	0.4
66.19009	0.3
67.05506	30.4
69.07068	8.8
71.04999	1.9
71.08631	1.2
77.03889	0.6
79.05494	39.7
81.07058	32.4
81.07429	0.4
83.04959	0.6
83.08618	5.3
85.06547	3.4
85.10216	0.3
86.96734	0.3
91.04887	0.5
91.05480	17.2
93.07043	52.3
95.04970	4.3
95.08608	24.7
97.06527	2.0
97.10172	1.7
99.08107	2.3
103.05463	0.5
105.04512	0.3
105.07033	11.7
107.04948	0.7
107.08595	37.3
109.06520	1.6
109.10158	10.9
111.08083	2.2
111.11713	0.5
113.09672	0.9
117.07021	5.0
119.08584	11.0
121.10143	32.9
123.08070	1.2
123.11703	3.6
125.09615	0.9
127.11204	0.4
129.06964	0.6
130.07770	0.6
131.08574	10.3
132.30986	0.4
133.10133	9.9
135.08066	0.4
135.11694	27.6
137.09612	1.0
137.13252	1.0
139.11195	0.7
143.08546	0.5
145.10124	10.3
147.11685	8.0
149.09633	1.0
149.13260	19.8
151.11163	0.8
151.14783	0.4
153.12761	0.8
157.10162	0.4
159.11699	8.2
161.13248	9.6
163.14824	15.4
165.12804	1.0
173.13258	8.1
175.14813	3.1
177.16383	5.1
179.14314	1.4
187.14810	5.4
189.16415	1.0
191.14383	0.5
201.16402	2.2
203.17909	0.6
205.15881	0.8
215.17906	1.6
227.37759	0.3
233.22643	1.5
243.21091	25.8
261.22141	100.0
262.22357	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2213
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
51.33687	0.3
53.03941	1.4
55.01865	0.7
55.05510	8.3
57.03432	0.7
57.07077	2.7
59.04984	0.4
65.03938	0.8
67.05505	26.5
69.07061	8.5
69.35142	3.4
71.04979	1.3
71.08630	1.1
74.44781	0.3
77.03937	0.7
79.05493	37.2
81.07056	32.5
83.04986	0.7
83.08618	5.5
85.06546	2.7
91.05476	17.6
93.07041	50.6
95.04967	3.7
95.08606	23.3
96.82255	0.4
97.06535	2.0
97.10173	2.0
98.21561	0.7
99.08101	2.6
105.04533	0.4
105.06514	0.4
105.07031	10.9
107.08594	32.1
109.06526	1.6
109.10155	10.1
111.08101	2.7
113.09659	0.7
117.07014	5.3
119.08578	11.0
121.10143	29.9
123.08087	1.0
123.11688	3.2
125.09644	1.0
127.11185	0.4
130.96570	0.3
131.08565	9.7
132.84209	0.4
133.10129	9.2
135.11690	24.4
135.38095	0.3
137.09625	1.0
137.13257	1.2
139.11191	0.9
143.08577	0.4
145.10120	10.9
147.11670	7.1
149.09633	0.9
149.13258	18.4
151.11186	0.7
151.14799	0.5
153.12772	0.5
159.11679	6.8
161.13261	8.2
163.11191	0.4
163.14816	13.6
165.12773	1.0
171.11739	0.4
173.13254	7.0
175.14848	3.2
177.12878	0.4
177.16365	4.1
179.14275	1.1
187.14816	4.5
189.16319	0.6
191.14316	0.5
201.16370	2.2
205.15826	0.6
215.17979	1.2
219.17332	0.6
233.22603	1.2
243.18452	0.6
243.21083	24.5
261.22137	100.0
262.22421	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2215
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.9
55.01864	0.5
55.05264	0.5
55.05511	8.1
57.03424	1.3
57.07076	3.0
65.03930	0.9
67.05506	26.5
69.06715	0.7
69.07066	9.2
71.04989	1.4
71.08615	1.0
71.58410	0.5
77.03918	0.8
79.05493	39.9
81.07058	31.2
81.99464	0.4
83.04987	0.5
83.08623	5.7
85.06517	2.0
85.10149	0.6
91.05482	18.4
93.07045	52.8
95.04973	4.6
95.08606	24.9
95.09245	0.7
97.06539	2.1
97.10143	1.5
99.08102	2.6
105.04505	0.7
105.07027	13.3
106.59315	0.5
107.08596	34.9
109.06498	1.3
109.10155	9.9
111.08083	1.7
113.09663	1.0
117.07015	4.4
119.07786	0.7
119.08587	10.2
121.10147	31.5
123.08047	1.4
123.11674	3.6
125.09656	0.8
131.08575	10.6
133.10133	10.0
135.08051	0.5
135.11696	23.3
137.09593	0.9
137.13208	1.4
137.93581	0.5
139.11176	0.6
145.10121	11.0
147.11688	7.9
149.09630	0.6
149.13258	17.3
151.11198	0.8
151.14786	0.5
153.12767	0.7
153.22223	0.4
156.93030	0.4
159.11679	8.2
161.13251	8.5
163.11137	0.5
163.14822	12.8
165.12738	0.8
171.72307	0.4
173.13271	8.3
175.14838	3.4
177.12746	0.5
177.16397	3.6
179.14299	0.9
187.14835	5.1
189.16435	0.5
201.16324	2.2
205.15857	0.8
215.17915	1.6
216.51630	0.4
233.22699	1.3
243.21083	26.0
261.03812	0.5
261.12939	1.6
261.22141	100.0
262.14484	1.0
262.22479	0.4
266.82623	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2212
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
51.02376	0.6
53.03928	2.3
55.01872	0.6
55.05506	11.0
57.03421	1.1
57.07072	3.5
65.03934	1.3
67.05504	29.8
69.07062	8.7
71.04961	1.8
71.08628	1.2
79.05491	40.0
81.03371	0.7
81.07056	37.9
83.04987	0.7
83.08621	6.3
85.06553	3.3
91.04896	0.8
91.05477	22.0
93.07042	55.8
95.04981	3.7
95.08604	25.6
95.09064	0.3
97.06523	1.8
97.10155	2.1
98.21619	0.9
99.08138	2.5
105.04502	1.0
105.07030	14.8
107.08594	38.1
109.06509	1.4
109.10144	12.0
111.08051	2.4
113.09614	0.8
117.07018	4.5
119.08577	11.2
121.10140	33.6
123.08062	1.5
123.11708	3.6
125.09620	0.6
131.08566	12.8
131.72943	0.5
133.10132	8.9
135.11688	26.3
137.09618	0.9
137.13249	0.7
145.10117	11.6
147.04445	0.9
147.11674	9.1
149.09602	0.8
149.13261	20.9
151.11179	0.7
151.14769	0.8
153.12686	1.0
158.79594	0.6
159.11697	8.9
161.13257	8.5
163.14824	17.2
165.12782	1.2
173.13260	8.4
175.14882	4.1
177.16382	5.3
179.14278	1.7
186.26550	0.6
187.14790	4.6
189.16443	0.7
201.16322	2.9
215.17914	1.3
224.80766	0.6
229.15930	0.6
233.22632	1.5
243.21078	26.1
261.22134	100.0
262.22552	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1486
Annotation	p-coumaroylhexanoylmethane
Peak:m/z	Relative Intensity
53.03912	4.9
55.05513	66.5
57.07072	5.6
67.05508	24.0
69.07072	15.3
69.94675	3.2
71.58387	5.5
79.05488	32.9
81.06733	2.5
81.07073	29.9
83.08580	3.4
91.05465	18.7
93.07045	45.1
95.04966	3.4
95.08610	21.1
97.10175	43.0
105.07041	7.7
107.04958	7.5
107.08604	32.9
109.10138	13.1
117.07008	3.2
119.04976	15.0
119.08587	7.6
121.02843	4.0
121.10143	33.5
121.55904	3.2
131.08586	13.6
133.10118	7.2
135.08095	3.8
135.11707	23.5
145.10127	9.6
147.04422	66.5
147.11700	6.3
149.13237	13.0
149.53169	3.1
159.08026	4.4
159.11710	6.8
161.13179	4.0
163.14845	5.0
165.05493	18.6
173.13306	6.2
176.94518	8.5
194.95673	8.1
232.97237	3.3
243.21098	14.4
261.04031	8.8
261.15100	15.0
261.18756	4.9
261.22153	100.0
261.24869	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2213
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
51.02374	0.4
52.70628	0.3
53.03938	2.1
53.42369	0.3
55.01870	0.6
55.05507	10.1
55.33416	0.4
57.03430	1.2
57.07067	3.3
65.03942	1.1
67.05502	32.5
69.07064	9.6
70.10307	0.9
70.10706	0.7
71.04984	1.7
71.08625	0.8
77.03925	0.6
79.05490	44.6
81.07053	40.5
83.04969	1.0
83.08611	5.0
85.06532	3.1
85.10199	0.5
88.10090	0.4
91.04888	0.9
91.05473	21.6
93.07039	59.2
95.04957	4.0
95.08602	29.2
97.06535	2.7
97.10160	2.0
98.21443	0.5
99.08091	2.7
105.04542	0.6
105.07025	14.8
107.08588	37.9
109.06504	2.0
109.10151	12.9
111.08083	2.4
111.11720	0.8
113.09639	1.0
117.07018	4.6
119.08572	12.0
121.10138	34.2
123.08074	1.0
123.11718	3.3
125.09621	0.5
129.06987	0.5
131.08571	12.1
133.10127	10.5
135.11684	27.3
137.09622	1.3
137.13232	1.1
145.10114	12.2
147.11688	9.7
149.09631	0.9
149.13251	22.1
151.11147	0.9
151.14781	1.0
153.12724	0.7
159.11685	8.2
161.13234	8.5
163.14813	18.4
165.12766	1.4
173.13245	8.7
175.14815	3.8
177.12849	0.7
177.16350	4.6
179.14360	1.0
187.14787	5.8
189.16373	0.8
193.15828	0.5
201.16362	2.7
205.15956	0.5
215.17950	1.5
217.19499	0.8
219.17468	0.5
233.22620	1.0
233.59395	0.4
243.21078	26.9
261.22131	100.0
262.22491	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0307
Annotation	Ifosfamide
Peak:m/z	Relative Intensity
51.69244	0.1
56.96562	2.0
69.95460	0.2
69.95879	0.6
71.95252	0.1
74.97653	0.2
84.96026	0.4
89.56123	0.1
98.97572	4.4
101.00859	0.7
102.96895	0.3
110.97545	0.2
116.98611	5.4
117.98901	0.2
119.01910	6.1
120.01997	0.2
120.97922	0.3
128.98593	0.6
131.08498	0.1
134.99657	4.9
136.99228	0.2
137.02931	2.7
138.98956	0.3
140.00162	0.3
140.98502	0.3
142.03477	0.2
143.00134	0.2
146.99626	0.4
149.04836	0.2
153.00761	0.8
158.01260	0.3
158.99744	1.3
161.01212	0.5
161.02917	0.3
165.00685	0.1
165.99672	0.2
170.99637	0.5
173.01193	0.2
177.00923	12.2
178.01045	0.5
182.99791	0.3
189.00745	0.8
191.02299	0.3
195.01907	0.5
200.02631	0.3
201.00858	1.3
202.01060	0.1
207.01715	0.1
217.04050	2.0
218.03638	0.4
219.01971	19.5
220.02153	0.8
221.01753	1.0
225.00856	1.9
236.99272	0.1
237.02780	1.0
237.98608	0.4
239.02385	0.2
242.03499	0.6
243.01959	6.2
244.01912	0.2
249.02863	0.2
257.03595	0.2
260.04517	0.3
261.03030	100.0
262.03177	3.9
263.03421	0.4
266.03574	0.2
275.04599	0.2
278.97137	0.3
279.00571	4.9
279.03757	0.9
284.04620	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	261.0581
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	1.5
55.05518	1.5
56.96560	31.9
57.03424	6.3
61.02931	2.6
67.05484	1.3
69.03427	4.6
69.07034	1.2
69.68293	9.7
69.68688	2.3
70.06591	2.5
70.98122	1.3
71.05008	1.5
72.08157	3.3
73.02905	4.6
73.08494	2.0
74.54299	1.2
84.04505	1.9
84.08128	8.0
84.96014	5.3
85.02905	8.5
85.08463	3.3
86.09700	10.2
97.02901	5.0
98.97579	30.6
98.98193	2.2
99.05590	1.3
102.96916	2.4
105.43934	1.4
110.97581	6.7
112.99123	5.3
113.03481	10.3
115.02421	2.1
115.03964	1.2
116.07062	1.4
116.98623	27.4
119.01929	7.1
124.99190	1.4
127.03916	3.1
128.98601	9.7
130.01801	1.4
131.00166	8.6
131.01932	4.2
133.01811	1.4
133.03462	6.2
133.05006	2.7
134.99632	13.5
140.98601	4.8
143.00168	4.2
143.01932	2.0
145.03477	2.4
146.99681	9.0
148.03833	7.2
149.01241	6.3
151.02734	1.8
152.98607	1.7
153.00737	1.9
155.00244	1.4
157.04443	6.1
158.01279	1.8
158.99652	13.1
159.05011	4.6
161.01251	6.6
161.02972	6.0
165.00700	2.7
167.02214	1.8
169.01103	1.9
170.99663	7.4
171.05106	3.1
173.01208	3.3
173.02924	2.5
175.02730	2.6
177.00719	11.4
178.04900	4.0
180.04593	6.0
187.00276	2.0
189.00723	9.4
189.06068	2.5
191.02257	3.6
193.03856	2.5
195.01840	1.7
195.04678	7.5
201.00647	8.7
201.03783	2.4
205.01349	1.7
205.05540	3.6
206.02835	1.9
207.01799	4.0
213.00911	1.9
219.01752	15.0
221.05069	5.8
229.03133	29.8
237.02820	17.4
243.04724	2.2
243.07193	1.7
255.03981	2.0
261.02966	13.9
261.05829	100.0
261.09418	69.2
261.13885	2.2
261.19827	2.2
278.96985	1.9
279.00720	2.3
279.03690	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	259.242
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.8
55.05511	10.3
57.07072	5.6
57.59686	0.8
67.05172	1.0
67.05506	14.7
67.05862	0.8
69.07066	17.3
70.94037	1.8
71.08638	1.3
79.05489	8.7
81.07055	45.9
83.08618	8.1
83.22131	0.6
91.05480	8.6
93.07041	19.7
95.04992	1.3
95.08604	43.9
97.06501	0.8
97.10165	5.0
97.42637	0.7
101.18101	0.6
105.03384	1.7
105.07027	22.4
107.08593	32.1
109.10156	29.9
109.10907	1.1
111.11706	2.7
111.52283	0.7
117.00204	0.6
117.07009	3.1
119.08580	20.9
121.10143	25.8
122.10535	0.7
123.11710	32.8
129.01816	1.0
129.06943	1.0
131.08574	3.8
133.10133	16.4
135.11687	19.2
137.13251	9.6
143.08479	1.1
145.10130	2.3
147.11688	14.8
149.13251	18.9
151.14853	4.0
157.10150	1.2
159.11732	3.8
161.13260	11.2
162.13573	1.5
163.14825	15.0
165.16396	1.6
171.11745	1.4
173.13271	2.3
175.14821	11.4
177.16403	7.9
185.13216	1.2
187.14862	1.0
189.16367	19.6
191.18163	0.9
203.17953	24.5
217.19574	5.8
241.19473	1.9
246.60971	0.8
259.11328	1.3
259.20682	6.5
259.24207	100.0
260.24588	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.2057
Annotation	13-Apo-beta-carotenone
Peak:m/z	Relative Intensity
50.97128	1.4
55.01864	1.8
55.05297	1.5
55.05513	14.9
56.48899	1.5
56.96556	3.3
57.03442	1.8
57.07070	9.6
57.47623	1.7
67.05177	2.1
67.05501	20.9
68.87643	1.5
69.03410	4.8
69.07072	11.6
70.19777	7.0
71.04981	2.4
71.58373	1.5
79.05496	10.0
81.07059	15.9
82.11385	1.7
83.04955	6.2
83.08617	4.7
85.06544	100.0
91.05473	11.2
93.07053	14.7
95.04950	3.5
95.08604	21.6
97.02894	1.7
97.06535	12.0
99.08091	55.0
105.06391	2.3
105.07031	29.8
107.08585	14.2
109.06518	4.5
109.10162	8.2
111.08079	2.5
113.09629	4.7
117.07013	6.1
119.08585	42.8
121.06488	2.5
121.10146	30.8
123.08089	2.7
123.11684	3.6
125.09637	6.4
125.84447	1.7
128.06242	2.6
129.06995	5.4
130.07777	1.7
131.08540	11.1
133.06467	1.6
133.10139	37.8
135.11670	3.5
139.11169	4.6
141.07037	2.0
142.07768	2.6
142.20547	1.5
143.08551	12.6
144.09352	2.1
145.10114	27.7
147.08055	2.4
147.11685	26.8
149.09641	1.8
151.11093	1.9
156.09346	4.2
157.10135	15.8
158.10980	2.2
159.11693	22.1
161.09622	5.2
161.13235	6.0
163.03905	6.0
165.12773	5.6
169.10310	1.8
170.10907	6.6
171.11665	15.8
173.02379	4.3
173.13287	9.0
175.03903	2.5
175.11156	4.1
175.14856	9.3
185.13263	25.4
189.12773	2.9
189.16364	2.9
190.13504	2.7
199.14807	16.8
201.16380	63.6
203.14314	7.8
215.06976	1.9
217.15819	2.0
240.44183	1.5
241.19557	17.5
248.74821	1.8
259.05820	2.7
259.09747	6.8
259.13290	2.1
259.20578	84.7
266.20847	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.1905
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.9
55.01855	4.9
55.05513	53.5
56.96522	2.3
57.03436	28.0
57.07075	10.1
62.02577	1.8
67.05502	18.7
69.03385	7.3
69.07071	66.7
70.88564	6.0
71.04961	7.9
71.08614	2.7
72.34490	2.2
79.05504	19.0
81.03373	4.5
81.07058	30.5
83.04936	6.4
83.08620	55.8
85.06536	10.8
89.03870	2.0
91.05453	7.2
93.07044	28.6
95.04916	4.7
95.08595	18.3
97.02856	8.4
97.06532	40.7
97.10152	16.5
99.04324	3.1
99.08075	4.7
101.05984	3.4
105.03331	2.6
105.06983	6.4
107.08595	21.5
109.10098	9.4
111.08092	11.6
115.07511	3.4
117.03358	2.7
117.07053	2.2
119.08529	8.5
121.06516	1.9
121.10155	14.2
123.11691	3.5
125.09557	6.8
125.13200	2.6
131.08559	4.0
133.10065	9.3
135.11732	2.7
143.08521	4.7
145.02855	2.8
145.10089	2.8
147.04346	3.3
147.11656	4.2
149.12170	3.1
149.13251	38.3
157.10095	2.9
159.11713	2.9
161.02335	3.9
161.13135	2.4
163.03879	16.1
167.14349	17.9
171.11537	2.5
173.02345	10.6
175.03972	14.2
175.14746	2.9
185.13176	5.6
190.95294	3.0
199.14813	3.1
201.16267	5.2
202.07698	7.3
203.06827	2.5
203.08504	15.4
211.65443	2.0
215.06989	13.1
221.69580	2.1
231.08138	17.3
241.19595	3.4
259.07666	18.3
259.09848	11.4
259.13324	3.8
259.18915	100.0
259.23651	5.0
260.07968	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	259.2056
Annotation	13-Apo-beta-carotenone
Peak:m/z	Relative Intensity
51.24756	2.8
55.01851	2.8
55.05497	10.6
57.07069	3.7
67.05495	10.1
67.49487	2.8
69.07061	33.4
71.04999	28.2
71.49790	3.6
79.05457	4.9
81.07045	15.9
83.04970	5.2
83.08608	7.0
85.06544	24.5
91.05470	12.0
93.07053	20.0
95.04942	4.1
95.08607	18.1
97.06534	4.8
105.07035	24.5
107.08598	21.6
109.06505	11.0
109.10127	16.1
111.08103	19.7
117.07004	6.5
119.08581	56.4
121.10120	11.1
123.11717	23.5
131.08562	13.3
131.88579	3.4
133.10135	26.7
135.08063	24.4
135.11679	5.9
137.09599	4.0
137.13194	3.6
143.08598	7.5
143.15121	3.4
145.10141	35.8
147.11696	19.2
149.09613	4.2
157.10132	11.3
159.11685	36.9
160.12553	4.0
161.13255	38.2
171.11650	14.0
173.13261	10.5
175.11179	4.2
175.14828	96.6
176.15492	4.3
177.12788	7.5
177.16446	4.7
185.13255	16.4
189.12755	6.9
189.16357	7.1
199.14812	5.1
201.16388	20.9
203.14276	8.1
215.17957	7.5
230.89180	3.3
241.19527	17.5
259.20566	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0758
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	4.5
55.01862	5.5
55.05487	4.4
56.96561	11.0
57.02717	1.7
57.03444	11.5
57.07015	1.6
60.61205	1.5
61.02926	10.7
61.03194	2.5
65.02092	2.0
67.05534	2.0
69.03423	24.5
70.06581	2.9
71.04985	12.9
71.58013	1.9
71.58447	1.9
73.02916	17.0
78.46719	1.6
81.03441	8.2
81.04525	4.1
83.04967	4.1
84.04469	2.5
85.02901	48.0
86.03259	2.1
86.09686	2.3
87.04450	2.8
91.03944	2.9
95.00757	1.8
95.04955	3.0
97.02308	6.6
97.02884	38.1
98.01287	2.2
98.97582	14.3
99.04427	5.4
101.00756	1.7
101.06020	3.4
104.01279	2.3
104.10720	6.4
105.02043	2.0
105.03372	2.1
105.11060	7.5
106.02847	18.0
107.04907	1.9
109.02866	7.5
110.01173	1.7
110.97564	1.6
111.04426	2.8
111.05538	5.6
112.99126	19.6
114.05535	2.5
115.03330	6.8
116.98645	8.3
118.02835	7.3
119.01883	18.0
121.01678	6.8
124.99963	2.9
127.03178	3.5
127.03916	12.9
127.05025	8.7
128.02319	3.5
128.98630	2.5
131.00165	35.0
131.01859	6.3
131.03659	2.7
133.03389	17.8
134.99654	6.6
137.02890	2.5
139.03351	6.7
140.02307	3.9
140.04103	6.8
142.03857	7.9
143.01892	3.1
145.01678	3.2
145.03395	6.2
145.04965	5.5
146.99620	4.2
147.03114	4.5
148.03885	11.0
149.01212	41.0
149.02910	3.6
151.04471	2.7
154.03793	2.1
156.03619	5.8
156.05428	16.9
156.55566	2.0
157.03407	3.1
157.06107	1.8
158.99612	2.3
159.04955	3.0
160.03874	4.9
161.01199	2.4
161.02902	6.6
161.55612	5.2
162.05473	2.2
163.02815	4.1
163.04338	20.4
163.07086	4.2
167.02252	6.4
169.04385	44.2
169.54567	4.6
170.56190	3.0
172.04950	4.7
173.02945	2.2
175.02762	6.0
175.04408	2.9
177.00592	4.2
177.06015	2.7
178.04929	100.0
178.55132	9.3
183.55679	2.8
184.04730	2.0
185.02905	2.2
187.05411	7.3
189.00656	3.4
189.55762	8.0
191.03926	6.4
193.03842	21.0
193.05440	3.4
198.56223	5.6
200.04445	3.9
203.02271	2.5
207.01953	2.1
211.04872	16.2
211.55098	2.3
213.05640	2.1
213.12297	4.1
217.01958	2.0
217.03842	2.6
223.02631	3.5
229.01631	2.2
235.04855	36.4
235.07001	3.1
249.02791	1.8
253.05884	9.7
259.02457	5.8
259.07217	4.1
259.13086	14.5
265.05991	4.7
277.06201	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.1328
Annotation	Mansonone G methyl ether
Peak:m/z	Relative Intensity
51.00069	0.4
51.70465	0.5
55.05511	2.4
55.77332	0.4
57.07069	0.5
62.06092	0.4
66.71810	0.4
67.05505	14.8
69.07050	0.5
69.96304	2.3
73.28334	0.4
79.05504	1.2
91.05479	1.6
93.07043	3.5
95.08606	100.0
96.08936	0.4
97.06523	2.8
105.07031	0.9
107.04972	0.4
107.08603	0.5
115.03804	0.4
119.04940	1.7
131.08606	0.7
133.10178	0.7
137.23888	0.4
145.02870	0.4
147.04417	9.1
159.04462	0.4
161.02315	0.8
163.03943	1.5
165.05481	3.2
166.54980	0.4
170.74837	0.4
173.02371	0.9
190.95366	0.6
215.07063	1.3
234.54207	0.4
241.19533	0.9
259.09641	1.6
259.13287	1.1
259.20682	2.0
259.28238	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	258.2793
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45253	0.3
55.05506	0.6
57.07076	12.0
58.06588	1.2
62.06089	7.5
69.07060	0.4
69.85394	0.9
69.85809	1.5
71.08627	5.1
85.10184	2.6
95.08550	0.3
97.06511	0.5
100.74876	0.3
107.08573	0.6
119.04934	0.3
147.04384	1.2
191.17842	0.3
217.35612	0.3
240.26874	5.3
257.03339	0.4
258.27927	100.0
259.06232	0.5
259.09708	0.5
259.28189	1.2
274.87289	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	258.097
Annotation	Dioxolamycin
Peak:m/z	Relative Intensity
53.03935	1.2
55.01851	1.6
56.05027	1.5
56.96564	7.7
57.03419	2.0
60.08149	1.2
61.02897	2.2
69.03430	15.8
70.06582	2.0
70.95859	0.9
71.04974	0.9
71.59188	1.1
73.02903	3.7
74.06043	1.1
80.05006	4.3
81.03406	1.9
81.05751	0.9
82.06568	8.1
83.04974	1.2
84.04488	1.4
84.08109	2.4
84.96019	0.9
85.02901	13.9
86.09718	3.7
89.03952	0.9
90.94841	0.9
91.05463	1.8
95.04945	1.5
97.02885	13.3
98.06051	2.0
98.97557	3.3
99.04445	2.1
104.10741	16.0
107.04916	3.2
107.08562	1.3
108.03803	1.2
108.04478	14.9
108.05196	0.8
109.02915	1.5
112.07578	1.7
115.03920	4.6
116.98608	3.5
119.01884	1.0
119.04955	1.0
125.00005	3.2
126.05510	38.9
127.03921	1.5
127.06270	3.1
128.98631	1.6
130.08618	2.5
132.95839	0.9
134.99660	3.0
135.04396	2.0
137.05989	1.4
138.05470	1.1
141.04948	0.7
143.00177	1.2
146.02611	0.7
146.99625	2.1
147.04333	1.4
149.01280	1.1
149.02325	3.1
155.99530	0.8
158.99644	1.1
161.01216	3.6
163.03873	7.4
164.02293	2.0
166.04880	1.1
166.46402	0.8
168.06552	1.1
174.04439	1.2
174.96788	0.9
177.00719	1.6
177.04147	1.9
178.03789	0.9
184.07333	0.9
186.04355	1.5
189.00752	1.1
191.03946	1.3
201.25385	0.9
203.02301	1.2
204.05379	2.3
207.01738	1.1
216.98030	0.9
217.05353	1.0
219.01811	1.0
219.05194	0.9
223.05922	1.0
224.04433	1.3
231.01738	1.2
234.98936	2.7
236.57761	0.9
237.02731	0.9
240.08653	7.1
246.06133	0.8
249.02763	1.8
249.30972	0.8
258.00601	2.0
258.09695	100.0
258.60931	1.2
259.10168	1.2
276.07434	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1171
Annotation	Hyperenone B
Peak:m/z	Relative Intensity
53.03931	2.9
55.01865	2.3
55.05482	0.9
58.07384	0.8
58.40350	0.8
58.48399	0.9
60.89532	0.9
65.73100	1.0
67.05489	3.2
68.99767	2.3
69.07063	1.9
69.48894	3.4
69.49318	4.5
71.08678	0.9
79.05488	6.1
81.07050	16.8
83.08636	1.1
91.05480	16.0
93.07039	43.6
94.07806	2.3
95.04969	7.2
97.06540	1.2
103.05449	6.5
105.04479	2.5
105.07041	4.9
107.04928	3.1
109.06503	1.7
117.07054	0.9
117.84014	0.8
119.08556	1.2
121.06476	5.0
121.10119	1.2
131.04912	10.9
133.06476	1.2
135.04388	1.1
141.06958	1.3
145.06424	1.5
147.04364	5.0
147.11667	3.3
149.05957	5.6
157.06537	1.6
159.04399	8.7
159.11710	1.6
165.06975	1.0
165.12769	3.0
169.06445	3.5
172.08855	1.0
177.05461	100.0
178.07762	1.1
181.06519	1.6
182.07257	1.3
183.04440	1.1
183.08078	2.1
187.11150	1.1
191.07014	1.3
193.10123	3.1
194.43687	0.9
195.08063	0.9
197.06024	8.0
197.09668	2.0
197.13185	1.5
201.05469	5.4
206.07306	4.0
211.07579	3.1
211.11157	4.2
213.12552	1.0
215.07007	1.6
221.09599	11.7
227.60831	0.9
239.10651	26.5
256.30194	1.0
257.04364	1.5
257.11725	25.0
257.19028	2.1
257.26538	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1383
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	1.1
55.68666	0.4
57.03441	6.2
63.45591	0.5
69.72971	3.1
69.73378	0.8
75.04467	2.5
75.22878	0.4
79.05502	2.9
79.61417	0.5
84.27145	0.5
89.00531	0.6
91.05493	0.9
94.04163	1.2
95.04974	0.8
98.20815	0.6
103.05487	3.4
105.07032	30.7
107.04966	3.1
109.06532	0.9
115.05466	0.7
122.03666	4.1
124.05202	1.1
128.06201	0.6
133.06493	47.0
135.04410	0.9
135.08035	0.6
136.05234	0.7
137.05978	100.0
138.06328	0.7
151.07585	0.7
163.07545	3.2
165.09117	24.6
175.07492	3.0
177.09123	1.3
181.08606	2.0
183.10165	7.7
203.10725	1.9
209.11801	0.7
221.11723	2.5
239.12804	1.5
257.13916	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.19
Annotation	3-Deoxyestradiol
Peak:m/z	Relative Intensity
55.05505	5.7
57.03186	1.1
57.03440	14.4
57.07068	0.9
65.87999	0.8
67.05176	0.9
67.05504	11.6
67.42105	0.9
69.07050	4.1
70.58399	0.8
70.62245	2.7
72.08123	0.9
73.25546	0.8
79.05489	7.8
81.07059	9.3
83.08602	3.1
85.06530	1.6
87.36868	0.8
91.05475	16.2
93.07038	6.8
95.04939	1.8
95.08600	9.8
97.06539	1.5
99.08089	7.7
103.05447	1.2
105.06380	1.2
105.07031	14.6
107.04939	1.1
107.08580	5.7
109.06510	1.5
109.10141	3.3
111.07996	1.0
115.05463	3.1
116.06227	2.2
117.07012	28.4
119.08567	8.5
121.10147	3.2
128.06219	4.8
129.06036	1.4
129.07004	25.3
130.07774	2.1
131.08563	30.1
133.06390	1.0
133.10115	5.2
141.07021	4.4
142.07744	3.2
143.08546	20.8
144.09340	2.0
145.10120	47.0
147.04375	1.0
147.07999	1.2
147.11668	4.6
149.09630	1.0
153.93181	0.9
154.07707	1.0
155.08540	6.6
156.09317	0.9
157.10120	24.8
159.11685	43.3
161.09601	3.9
163.11156	1.5
168.09375	1.7
169.03494	2.2
169.10109	11.7
170.10867	1.4
171.11664	10.5
173.13258	14.7
175.11185	2.0
182.10992	1.3
183.11699	13.0
185.13257	71.4
186.13490	1.4
187.11128	2.1
197.13272	9.6
199.14813	2.7
201.16333	6.2
210.13991	1.7
211.14803	3.7
229.19588	5.5
239.17924	29.0
257.04303	2.2
257.18994	100.0
257.26563	10.6
258.19339	3.8
258.27866	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	257.1172
Annotation	(+)-Kurasoin A
Peak:m/z	Relative Intensity
51.02377	0.9
53.03943	3.2
55.01866	1.8
55.05495	0.5
58.43226	0.5
68.99448	0.7
68.99769	3.7
71.04969	0.7
71.30597	1.2
76.86537	0.5
77.03934	1.4
79.05495	2.7
81.03419	0.8
81.07050	4.1
89.60864	0.5
91.05479	15.9
93.07040	49.5
95.04972	8.7
97.06516	1.2
103.05469	10.3
105.04497	1.5
105.07023	4.2
105.23254	0.5
107.04939	0.9
115.05417	0.9
119.04951	0.7
121.06503	6.5
131.04930	14.4
133.06490	1.3
141.06995	1.7
145.06430	1.2
147.04420	3.2
149.05986	8.3
150.72737	0.6
152.06198	0.5
153.06998	0.7
157.06488	0.7
159.04411	10.7
160.05167	1.3
161.06027	0.6
163.79169	0.6
169.06464	3.0
173.05962	1.0
177.05469	100.0
178.05949	0.5
178.07674	1.3
179.08585	0.7
181.06474	1.7
182.07300	0.8
183.04358	1.1
183.08034	1.0
185.05969	1.6
186.49635	0.5
193.10110	3.3
195.08083	0.9
196.08807	1.1
197.05975	9.6
197.09622	2.0
198.06717	0.5
201.05504	4.3
203.08597	0.8
205.06522	1.2
206.07262	4.9
210.06664	0.8
211.07419	2.6
211.11145	4.7
215.07083	1.2
218.08055	0.6
221.09605	10.8
224.08250	0.6
239.10660	19.2
257.11719	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	257.1171
Annotation	(+)-Kurasoin A
Peak:m/z	Relative Intensity
50.38934	1.0
50.39240	1.0
51.02386	1.1
53.03943	4.6
58.63872	1.1
63.42566	1.1
70.69227	1.0
70.93559	3.0
72.64886	1.1
77.03895	1.2
79.05487	55.8
81.07053	60.8
84.52810	1.1
91.05473	25.7
93.07039	55.0
94.07820	50.2
94.08301	0.7
95.04961	12.5
96.27233	1.0
96.34101	1.0
98.53902	1.0
103.05447	3.8
105.18917	1.3
107.04942	1.8
109.06516	6.7
115.05440	2.9
116.06227	3.2
119.04926	3.9
129.06932	2.0
131.04875	6.1
135.04454	1.8
141.07019	1.4
143.04904	2.5
147.04399	15.6
153.07043	1.8
155.08710	1.4
157.02856	1.8
157.06409	1.6
159.04434	8.1
165.05507	2.8
165.06950	1.1
168.09338	1.5
169.06538	1.6
177.05415	5.6
178.07716	4.4
181.06450	1.9
182.07256	1.7
183.04451	2.0
193.10121	4.3
193.31827	1.2
196.08873	2.6
197.06007	2.4
197.09663	1.3
201.05461	6.0
206.07225	5.6
211.07523	7.7
211.11153	3.4
215.10652	3.5
221.09592	9.8
239.10652	100.0
242.54034	1.1
257.11746	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	257.1172
Annotation	(+)-Kurasoin A
Peak:m/z	Relative Intensity
51.02374	0.3
52.61817	0.2
53.03942	2.7
55.01880	1.8
55.03550	0.3
55.05498	0.9
68.99789	2.6
69.07053	0.3
71.04998	0.6
77.03941	0.8
78.73553	0.2
79.05492	2.4
81.03436	0.4
81.07056	3.8
91.04898	0.4
91.05477	13.2
93.07040	41.1
94.04177	0.3
94.07844	0.4
95.04965	6.9
95.48349	0.2
97.06517	0.9
103.05466	7.1
105.04517	0.9
105.07023	3.9
107.04964	1.2
109.06500	0.3
115.05462	0.6
117.07029	0.2
118.93607	0.3
121.06493	5.5
129.06946	0.4
131.04922	11.4
133.06494	1.2
135.04404	0.7
141.06982	1.4
143.04965	0.3
145.06512	1.0
147.04384	3.3
149.05975	6.7
153.01828	0.3
153.07083	0.5
155.08554	0.9
157.06505	1.1
159.04422	9.7
159.07918	0.3
160.05171	0.8
161.05974	0.3
165.05579	0.3
165.06964	0.6
168.09355	0.4
169.06502	3.2
169.10101	0.3
171.08031	0.7
173.06024	0.4
177.05463	100.0
178.05840	0.6
178.07791	1.4
179.08572	1.2
181.06464	1.6
182.07315	0.8
183.04398	0.8
183.08080	1.2
183.11684	0.6
184.05270	0.3
185.06006	1.8
185.09682	0.3
191.07072	0.8
193.10141	2.3
195.08060	0.8
196.08849	1.1
197.05977	8.0
197.09604	2.1
198.06682	0.3
201.05469	3.7
202.07925	0.4
203.08557	0.8
205.06516	0.6
206.07269	3.8
210.40775	0.3
211.07562	2.8
211.11140	3.8
213.12701	0.6
215.07114	1.3
215.10701	0.3
218.07988	0.4
221.09613	10.6
224.08319	1.1
239.10663	16.2
240.10687	0.3
257.11713	18.9
258.12128	0.3
266.23636	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.0601
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.1
55.01862	6.3
55.05509	3.2
56.96564	68.7
57.03182	2.4
57.03434	28.3
57.07060	3.2
58.03754	1.6
60.04515	3.7
61.02922	17.4
65.03942	1.6
67.05495	2.0
68.05006	1.8
69.03421	19.7
69.07048	2.4
70.06583	7.4
71.01328	2.3
71.04977	7.5
71.08626	1.9
71.60960	1.8
71.95257	4.5
72.08147	4.5
73.02914	51.4
74.03250	2.4
74.97603	2.4
75.04475	1.6
77.00855	1.7
79.05482	1.8
80.05032	2.1
81.03415	7.2
81.07032	2.6
82.06583	1.6
83.01353	2.0
83.04974	6.0
83.06090	1.7
84.08138	5.6
84.46989	1.4
84.96039	7.3
85.02901	29.5
85.06538	3.1
86.09712	5.5
87.04446	4.1
88.99149	1.8
90.73466	1.5
91.05476	18.5
93.07009	8.3
95.04974	9.2
95.06020	1.7
95.08567	2.1
96.69556	1.7
97.02882	23.9
98.06050	1.5
98.97577	80.1
99.04428	2.6
101.00842	2.1
103.02409	1.6
103.03954	2.0
103.05459	5.6
105.07011	2.3
107.04943	9.1
108.04478	5.0
109.02883	4.6
110.97565	4.2
111.04430	3.8
112.05065	1.7
115.02347	4.3
115.03960	8.0
116.98615	100.0
117.01914	2.4
118.01078	3.2
119.01904	21.6
119.04963	9.0
119.08625	2.1
121.02857	2.8
121.06502	47.4
122.06835	4.1
123.04448	2.8
125.06182	1.5
125.07098	3.5
127.01534	2.7
127.03909	11.2
128.02228	3.3
128.98610	14.5
129.05473	1.8
131.00148	6.9
131.01900	9.5
131.03511	2.1
133.01668	2.3
133.03444	4.1
133.06412	1.8
134.01364	2.0
134.06038	7.2
134.99652	96.8
135.04366	2.8
135.99989	1.6
136.06197	2.7
136.07611	1.8
137.02948	6.1
137.05968	5.7
138.05490	2.6
139.05835	2.2
140.00139	2.9
143.00162	4.9
143.01915	2.7
145.03441	5.5
145.04947	3.0
146.99635	18.0
147.03172	3.1
147.04379	2.2
149.01202	5.6
149.02940	2.6
149.05962	3.5
151.07498	5.4
152.07059	17.2
153.00694	21.8
155.01918	2.0
157.02531	4.0
157.03593	2.6
158.01237	6.4
158.99629	13.8
159.05095	2.2
161.01231	11.8
161.02957	5.2
161.04575	6.7
161.05782	2.2
163.03986	5.2
164.02223	1.8
164.04166	2.2
165.00734	6.2
167.02875	3.3
170.04202	2.5
170.05240	17.6
170.99712	4.4
172.95366	7.2
173.01271	3.2
173.02942	7.6
174.00760	2.3
174.99268	7.0
175.00615	2.2
175.02736	4.8
175.04276	3.1
175.05940	1.6
176.03383	3.6
177.00706	22.2
177.04372	3.7
178.03912	2.4
179.02277	2.5
179.04590	33.2
179.54868	4.9
180.55132	2.0
181.55911	2.4
182.03430	2.3
185.04099	1.9
187.04498	2.4
188.54959	1.6
189.00755	8.3
189.54544	3.1
190.55396	8.7
190.95406	5.5
190.96510	1.9
190.98723	2.0
191.02226	3.2
191.05745	2.3
193.00192	14.6
193.01732	2.5
193.03781	3.1
195.01755	2.5
195.03366	3.3
195.05104	5.1
197.02171	3.2
201.00725	4.7
203.02190	3.2
203.04027	4.0
204.05484	2.2
206.02620	7.3
207.01712	2.2
207.05226	2.1
208.96452	5.5
209.03017	2.3
211.02795	5.4
213.00639	1.7
213.04308	4.4
213.06125	3.1
215.03931	2.2
219.01665	11.3
220.02148	2.2
221.03157	3.8
221.04982	3.0
223.01370	2.6
227.04900	2.0
232.96571	6.0
234.10039	1.6
236.06084	6.0
236.55632	2.2
237.02734	16.5
238.03087	1.6
239.03972	1.7
239.06534	1.7
240.08672	2.9
245.06773	22.7
245.56850	4.7
250.97560	5.1
256.57544	6.9
256.96466	8.7
257.02551	3.0
257.04898	7.7
257.07816	7.1
257.11157	17.1
257.15045	7.8
257.19354	2.1
274.97488	59.3
275.06052	3.3
276.07291	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	256.1542
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	2.9
55.01871	14.0
55.05268	3.2
55.05512	33.3
56.05016	3.0
56.96565	2.0
57.03421	2.0
58.60094	2.1
59.10299	1.9
63.39546	1.7
63.41526	1.9
65.03912	2.1
67.05500	27.0
68.05022	3.4
69.07069	9.9
70.02954	11.4
70.06621	2.1
71.04964	3.1
71.42871	2.9
72.04518	100.0
74.06126	1.9
75.56955	1.9
79.05490	28.4
80.05013	19.2
81.07056	33.5
82.02932	13.8
82.06589	19.1
83.04944	2.3
83.08612	14.5
84.04482	3.8
85.06534	4.4
86.06054	4.2
87.04452	3.3
88.07598	3.0
91.05470	17.8
91.48275	1.8
93.05776	2.0
93.07048	17.7
94.06567	5.6
95.05022	3.2
95.08593	15.0
96.04493	50.0
97.10163	5.7
98.06059	2.1
99.08093	2.2
105.07019	5.3
106.65002	2.0
107.04914	4.6
107.08565	11.4
108.04472	39.4
109.05264	2.8
109.06496	2.7
109.10131	5.7
110.02410	2.0
110.06049	19.2
117.07004	6.8
118.06512	2.1
119.04899	2.4
119.08611	4.0
120.04457	2.0
120.08096	2.0
121.10124	2.9
122.06016	8.2
122.09657	3.1
123.08099	2.2
124.03931	2.3
124.11239	7.5
126.05492	7.7
128.06195	2.3
132.08078	3.3
133.10089	2.5
134.09702	2.0
134.99622	3.8
135.08035	12.0
136.07579	4.9
137.09613	3.1
147.04419	7.7
150.09119	3.6
160.11188	7.0
170.11815	2.6
178.12260	53.0
188.10696	11.6
206.11731	15.6
224.12794	12.8
232.96420	3.0
238.14401	18.8
250.97583	2.9
256.15482	4.3
256.26355	21.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.9643
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96562	26.0
57.03434	0.9
57.07037	0.9
61.02921	0.7
70.50056	2.7
71.95254	3.8
81.03470	0.7
83.04984	0.9
85.02876	0.6
91.27589	0.6
98.97577	75.4
101.00875	1.0
111.04483	0.9
116.98614	100.0
119.01933	6.0
120.01946	1.1
121.01636	1.0
121.02829	0.8
128.81129	0.7
130.93282	2.0
131.01875	1.2
131.17793	0.6
132.96846	0.7
133.03479	1.4
134.77412	0.8
134.99652	93.3
136.93108	1.8
137.02921	2.8
140.00163	2.3
143.00153	1.1
145.03455	1.8
146.03632	0.8
148.94362	1.0
153.00705	19.6
154.94189	4.8
156.97433	1.3
158.01286	6.8
158.97205	3.0
161.01213	1.3
164.99538	0.7
169.03418	1.1
169.98656	0.9
171.05063	0.8
172.95293	19.0
173.02959	0.8
173.99974	1.0
174.98402	2.3
175.04529	0.9
176.02382	1.4
176.98259	6.2
177.00923	0.9
187.04463	1.5
190.96288	9.9
192.98737	1.4
195.96902	0.7
197.02907	0.8
197.95068	0.7
198.98572	1.8
203.00345	0.8
208.96466	7.1
213.98282	0.8
214.01341	1.4
214.96240	4.7
214.99878	5.5
215.03850	1.1
216.00945	0.9
216.98674	1.4
219.02034	1.3
221.98550	0.7
223.99890	1.3
227.01555	1.0
229.05641	1.2
232.96729	7.7
233.00752	4.3
233.49179	0.9
234.97488	0.7
234.99760	1.3
242.50238	1.0
242.97311	1.2
242.99696	0.7
250.97578	6.5
256.26297	1.6
256.96848	12.9
257.02884	1.6
257.05069	1.6
271.97739	0.8
274.94891	3.3
274.97498	81.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1742
Annotation	4-(1-Ethyl-2-phenylbutyl)phenol
Peak:m/z	Relative Intensity
50.73438	0.4
55.05506	1.7
57.07067	0.5
58.48978	0.4
58.72649	0.5
67.05502	6.0
69.07068	1.8
70.36435	1.9
79.05472	2.4
81.07055	6.0
83.08634	0.5
91.05491	1.5
93.07034	4.1
95.04958	1.2
95.08602	6.3
97.10156	0.7
98.98462	2.0
103.05448	0.6
104.84321	0.5
105.07027	6.7
107.04951	100.0
107.08584	4.8
108.05303	0.7
108.72472	0.4
108.93327	0.4
109.06554	0.5
109.10152	17.2
117.07012	0.6
119.08568	1.9
121.06491	4.6
121.10119	3.0
123.11719	1.7
131.04904	0.5
131.08569	1.1
133.06483	9.9
133.10120	0.8
135.11682	5.4
144.05721	0.7
145.06476	11.6
147.08031	4.4
147.11671	3.2
149.13257	4.3
157.06483	4.2
159.08046	22.4
161.09627	1.5
161.13287	2.1
171.08017	2.4
173.09593	2.4
185.09612	2.5
199.11160	4.1
213.12865	0.9
227.14227	0.6
255.17442	39.2
256.26361	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.0975
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25693	0.4
53.03949	0.5
53.53400	0.4
55.01868	2.2
55.05498	0.7
56.96563	6.1
57.03437	10.5
57.77283	0.3
58.47975	0.3
59.04979	0.6
60.08167	0.4
60.71955	0.4
61.02927	3.1
67.05486	0.6
69.03090	0.3
69.03430	6.2
71.01345	1.7
71.04980	1.5
71.60699	0.7
73.02914	11.2
77.00885	0.4
78.03424	0.6
80.05016	2.6
81.03423	2.4
83.04957	0.6
84.96025	1.1
85.02897	6.4
86.03692	2.0
87.04456	1.6
91.05469	4.3
92.05824	0.5
93.07028	0.5
95.04950	0.5
96.04509	0.4
97.02885	5.8
97.96810	1.4
98.97583	3.7
98.98154	0.5
98.98465	0.4
99.04457	1.1
100.05228	1.3
100.99155	0.6
101.00858	0.8
103.03938	0.5
104.01257	0.4
106.02899	4.8
107.04949	0.8
109.02863	2.6
110.01266	0.8
110.07156	1.5
110.97568	1.4
112.99114	1.0
115.02362	1.5
115.03932	2.5
115.97841	1.0
116.98613	2.1
117.02054	0.9
119.00139	0.8
119.01872	2.8
119.04952	5.0
120.05218	0.5
123.05547	100.0
124.03940	4.6
124.05905	0.5
126.02567	0.8
127.03910	1.7
128.98615	2.5
130.08566	0.5
131.00157	1.2
131.01834	2.0
133.03448	1.4
133.04945	2.8
134.99628	0.9
135.03073	1.3
137.02930	0.4
137.06004	0.7
138.02541	0.6
138.05423	1.8
143.00179	1.4
143.01888	0.9
143.34813	0.4
144.98080	0.9
145.01520	0.5
145.03391	1.9
146.02333	0.6
146.99638	2.3
147.01378	0.5
147.03119	1.5
149.01225	1.1
149.05923	0.8
150.06293	0.6
151.07523	3.3
152.07024	0.6
154.03841	1.0
155.01881	0.9
155.54514	0.4
156.07726	0.5
158.05074	0.7
158.99649	0.8
159.03210	0.7
161.01303	1.0
161.02893	1.7
161.04440	0.5
161.05811	0.4
162.05389	0.5
162.99184	1.0
163.02693	0.4
163.04459	0.5
165.00716	1.0
166.04886	0.4
168.03552	0.4
169.03342	1.1
169.04584	0.6
170.03526	0.4
170.99724	0.5
171.05861	0.6
173.01323	0.9
173.02933	1.8
173.47818	0.4
175.02824	0.6
175.04431	0.5
176.03391	1.3
177.00697	1.1
177.04277	0.6
177.05771	1.7
177.55887	0.4
178.03842	1.2
178.05089	0.7
180.03575	0.7
185.02888	0.5
186.04665	0.6
187.04388	0.9
189.00748	0.8
189.02333	0.6
189.04102	1.1
189.54533	0.4
190.98671	1.4
191.02286	0.8
191.03879	0.7
196.04999	0.6
197.02948	0.5
198.04628	0.6
201.00697	1.4
204.04669	0.4
204.54750	0.5
205.05464	0.7
207.05170	3.3
208.99706	4.1
209.55643	0.4
211.02806	0.5
211.04602	0.4
213.55409	0.8
214.05917	5.7
214.56172	0.6
216.05791	0.7
219.01776	1.5
219.06929	0.6
221.05016	0.6
223.06502	5.5
223.56641	0.6
227.00798	0.9
231.56427	0.5
232.04630	0.6
232.07025	12.6
232.57173	1.3
233.03307	0.7
234.07420	1.3
234.57452	0.8
235.05400	1.5
237.02820	1.8
237.06021	0.6
243.57886	0.9
255.06686	1.5
255.09769	0.9
255.14037	0.9
260.05246	0.8
263.07614	0.4
269.05472	1.5
275.07785	0.7
276.88620	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	254.1613
Annotation	CI 4
Peak:m/z	Relative Intensity
55.05490	0.7
56.96569	11.8
57.03424	1.6
57.07079	1.1
60.04515	2.8
60.08145	3.0
61.02910	1.5
67.05501	1.2
69.03417	3.2
69.07080	1.0
69.63157	4.8
69.63567	1.0
70.06246	1.1
70.06594	13.5
70.35085	0.7
71.01345	0.9
71.04988	1.1
72.08155	0.8
73.02901	2.7
74.06057	0.6
81.03406	1.8
81.07030	1.5
83.04970	1.1
84.04517	1.0
84.08125	1.2
84.96033	1.3
85.02905	4.4
87.04436	0.8
91.05460	2.5
92.74505	0.9
93.07031	0.8
95.04971	1.1
97.02888	2.5
97.07649	1.0
98.06059	13.2
98.97591	4.2
98.98470	9.9
99.04475	1.0
107.04960	2.0
109.02834	1.8
111.04437	1.7
116.98625	4.2
116.99335	0.7
119.04948	1.6
120.08084	3.0
121.06536	0.9
121.08439	4.8
122.09618	1.4
123.04385	2.1
123.05558	1.0
125.07121	14.4
127.03880	2.0
128.98610	1.3
129.10223	1.4
131.00090	1.0
131.03438	0.8
131.04871	0.7
134.99654	3.3
135.04417	1.1
136.06160	0.8
137.02344	0.8
137.06018	1.5
141.02318	0.8
142.05777	0.7
143.00179	1.5
146.99663	2.6
147.04344	0.9
148.03915	1.4
149.01239	1.9
149.05946	2.3
151.03894	1.0
153.05463	3.2
153.06580	0.8
153.57556	0.7
155.03406	1.0
158.99667	1.2
159.03043	1.7
161.01212	2.5
163.03897	2.2
165.00583	1.1
166.04970	1.6
166.13400	2.5
167.11813	19.7
169.01682	0.9
170.99649	0.9
177.00731	2.1
178.08611	1.2
180.05121	2.3
181.03516	1.0
185.01202	1.3
187.02737	0.9
188.92532	1.0
189.00662	1.0
194.12892	8.1
195.11293	100.0
196.11658	1.2
197.00906	0.8
201.00714	1.2
203.02287	1.7
208.09691	0.9
213.00732	0.9
213.05299	1.2
219.01772	0.9
219.04951	1.4
229.00203	2.5
231.01826	1.9
237.02740	1.0
237.13420	3.3
248.99197	1.6
249.02832	4.2
254.04446	1.2
254.16129	90.7
255.09956	1.6
255.16626	1.1
267.04050	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.0628
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22853	0.2
52.03421	0.2
53.03927	0.3
54.98942	0.2
55.01871	2.1
56.96568	1.6
57.03438	4.3
59.04998	0.3
61.02927	1.2
69.03425	2.4
70.30526	0.4
70.30915	0.5
71.01357	1.0
71.04984	0.9
73.02910	4.0
75.04446	0.3
78.03448	0.7
80.05009	1.9
81.03427	1.0
82.48052	0.2
82.86076	0.2
83.04967	0.4
84.96002	0.2
85.02903	4.1
86.03684	0.7
87.04459	0.7
91.03967	0.3
96.04492	0.8
97.02877	1.5
97.96788	0.4
98.97581	0.8
98.98473	0.3
99.04452	0.4
100.05225	0.5
102.03069	0.2
103.03941	0.4
103.49096	0.2
106.02902	5.0
107.47313	0.2
109.02907	1.0
110.01281	0.6
110.07158	0.6
111.01985	0.2
112.99113	0.2
115.03916	1.9
115.97814	0.4
116.98623	0.4
117.02052	0.4
119.01893	0.8
123.05547	100.0
124.03948	3.0
124.05930	0.3
124.97685	0.2
126.02579	0.3
127.03905	0.4
128.98595	0.3
129.02945	0.3
131.00192	0.4
131.01878	0.5
133.03438	0.6
133.04950	3.0
134.99594	0.3
135.03033	0.3
137.01854	0.2
138.02550	0.2
138.05539	1.1
143.00177	0.5
143.01906	0.2
144.03479	0.2
145.03413	0.9
146.92580	0.2
146.99669	0.5
147.03073	0.4
147.05005	0.2
149.01227	0.3
151.20686	0.2
152.07027	0.2
154.03963	0.2
155.01913	0.8
156.05440	0.2
156.07739	0.3
158.05118	0.6
159.04999	0.3
161.01196	0.3
161.02942	0.6
161.05562	0.6
162.99220	0.4
163.04385	0.3
165.00739	0.3
168.03638	0.4
170.06085	0.2
173.01585	0.2
173.02936	1.3
174.04518	0.3
177.00722	0.5
183.01765	0.2
183.05014	0.4
185.03046	0.4
189.04102	0.3
196.04875	0.3
197.03000	0.6
198.04633	0.3
203.03973	0.3
205.05507	0.3
207.05109	0.9
208.99715	1.2
211.04483	0.5
214.05978	1.8
219.01752	0.4
221.05093	0.6
223.06490	1.7
223.56587	0.4
225.56743	0.3
227.00807	0.2
232.07031	4.7
232.57216	0.8
234.57278	0.5
243.57912	0.5
245.05016	0.5
255.06433	1.7
255.09874	0.5
255.13351	0.4
257.05057	0.3
269.05441	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	254.1387
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96556	1.6
60.04511	2.2
60.08161	77.6
65.03921	4.9
69.03428	1.1
70.06577	1.1
71.56964	2.5
73.38046	1.0
77.54812	0.9
91.05470	7.4
93.03407	9.2
95.04937	1.4
98.06053	1.2
98.98459	7.8
103.05434	1.6
107.04973	1.3
109.02859	0.9
110.03695	1.9
111.03701	1.6
111.04439	23.6
116.98619	1.0
119.04971	5.5
121.02839	1.1
121.06516	5.5
121.07234	1.0
121.91299	0.9
123.04382	1.7
125.05988	37.0
134.03650	1.4
135.04364	1.4
149.05974	77.0
151.07570	2.2
153.05460	100.0
167.11734	1.3
177.05513	6.5
185.46985	0.8
195.06522	61.8
195.11253	6.1
249.02864	1.4
254.13870	62.1
254.16113	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	253.2163
Annotation	Hydnocarpic acid
Peak:m/z	Relative Intensity
51.02392	0.8
53.03947	2.5
55.01870	2.3
55.05509	62.3
56.96558	0.9
57.03436	2.4
57.07074	19.5
59.04990	1.4
65.03931	1.2
67.05502	50.5
69.03431	2.1
69.07065	100.0
71.04987	8.1
71.08631	5.6
71.61288	1.4
72.89765	0.8
73.06549	1.7
79.05487	22.9
81.03456	0.9
81.07053	77.8
83.04985	5.9
83.08616	63.9
83.09351	0.9
85.06534	6.8
85.10184	4.0
91.04896	0.9
91.05475	22.0
93.07040	31.9
93.07629	1.8
95.04967	2.8
95.08602	76.2
97.02872	1.1
97.06528	12.9
97.10164	53.1
98.98460	37.6
99.04417	1.7
99.08086	7.9
101.06040	0.8
105.07024	21.4
107.08595	23.4
109.02880	1.0
109.06543	4.6
109.10153	37.4
111.08070	8.7
111.11711	23.8
113.06006	0.9
113.09631	3.3
115.07577	2.5
116.99521	2.1
119.08578	27.3
121.10143	33.1
121.11033	1.6
122.90444	1.0
123.08085	5.7
123.11703	17.0
125.09642	7.4
125.13257	5.1
127.07546	1.8
129.09123	1.5
131.08598	1.6
133.06482	1.0
133.10123	29.4
134.06848	1.2
135.11688	29.5
137.09630	8.9
137.13237	9.7
139.11157	7.7
139.14798	1.3
141.05495	1.2
141.09094	2.2
143.10710	1.6
147.11685	22.5
149.13232	8.0
151.07492	0.8
151.11177	9.7
151.14809	7.3
152.76187	0.8
153.12746	7.8
155.10686	2.2
157.12270	1.9
161.05969	1.2
161.13252	18.7
162.06284	1.5
163.14827	2.1
165.06989	2.8
165.12746	9.9
167.14337	1.3
169.12198	2.0
171.13835	1.7
174.99205	1.2
175.14821	7.2
176.98877	1.1
177.16383	2.7
179.07068	1.7
179.14311	8.1
182.07268	1.6
183.13797	1.2
189.16351	2.9
191.17982	3.6
193.06532	1.5
193.15875	2.4
193.19511	8.4
194.08939	2.1
197.11714	2.7
197.15317	1.3
210.06808	1.8
217.19502	51.9
221.05997	1.4
225.09135	2.3
235.13135	1.0
235.16989	1.4
235.20558	35.7
238.06259	1.3
238.10094	0.9
253.08661	10.5
253.12488	7.4
253.21631	30.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1586
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31850	0.5
52.34992	0.5
52.46515	0.5
55.01891	0.8
55.05497	1.1
57.07071	0.6
67.05505	4.1
69.07076	4.2
71.59756	1.0
79.05492	4.3
81.07063	10.9
83.08636	0.8
91.05479	4.8
92.78346	0.6
93.07038	4.6
95.08048	0.8
95.08606	7.9
98.98461	16.2
105.07029	9.3
107.04950	25.4
107.08572	4.3
108.05296	0.5
109.10144	2.6
112.29533	0.6
116.06224	1.2
116.99485	0.5
117.07023	4.5
119.04926	1.9
119.08597	2.4
121.06504	2.9
121.10121	1.4
128.06206	1.0
129.07007	1.0
131.04965	1.3
131.08568	3.5
133.06493	6.1
133.10133	9.2
138.85695	0.6
141.06940	1.9
141.52715	0.6
143.08502	0.7
144.05679	1.7
145.06482	5.4
145.10117	1.1
147.04349	0.7
147.08018	2.5
147.11671	2.0
152.06273	0.8
153.06999	1.6
155.08543	1.1
157.06453	5.2
157.10147	0.6
159.08051	17.5
159.11639	3.2
161.09566	1.5
165.07007	1.9
165.25566	0.7
167.08505	1.4
170.07239	1.1
171.08031	10.6
172.08516	0.7
173.09647	5.0
178.07793	1.0
179.08537	2.5
181.06503	0.6
182.07269	2.4
183.08038	12.1
185.09608	4.0
193.10158	1.5
195.08037	1.6
196.08777	0.9
197.09627	13.3
197.11548	1.1
209.09607	2.4
210.10387	6.2
211.11185	11.0
224.11961	1.1
225.12743	4.8
231.53252	0.6
238.13411	0.7
253.15874	100.0
254.16235	2.0
258.16681	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.2162
Annotation	Hydnocarpic acid
Peak:m/z	Relative Intensity
51.50195	1.3
53.03929	1.8
55.05265	2.4
55.05509	36.3
56.96550	2.6
57.03443	2.9
57.07082	12.2
67.05502	35.5
69.03430	3.2
69.07066	65.9
70.16473	6.5
71.04972	5.3
71.08608	4.5
72.02338	1.2
73.06583	1.4
79.05494	16.5
81.03426	1.7
81.06579	2.9
81.07050	51.2
83.04965	4.6
83.08140	2.5
83.08617	34.5
85.06524	8.0
85.10170	1.8
91.05473	13.9
93.07040	23.8
95.04961	1.5
95.08603	47.2
97.02871	2.3
97.06504	7.3
97.10165	31.3
98.98465	100.0
99.04449	1.9
99.08090	4.3
105.07023	16.0
107.04924	3.3
107.08591	16.8
109.06528	3.2
109.10143	22.0
111.08070	4.0
111.11705	12.7
116.99490	4.7
119.08571	14.4
120.08102	1.8
121.10140	22.4
122.09652	1.6
123.04415	2.2
123.08092	3.7
123.11699	11.1
125.09627	3.3
125.13272	3.8
127.07509	1.5
131.08591	2.5
133.10124	18.8
134.99693	2.2
135.11678	18.4
135.64700	1.6
137.08392	2.5
137.09587	5.7
137.13240	4.6
138.09137	5.7
139.11145	4.9
140.01096	2.7
141.05460	2.9
142.02673	1.7
143.08539	1.6
147.04362	4.7
147.11687	13.0
149.13231	5.7
150.09132	2.5
151.11092	7.4
151.14824	4.6
153.12729	3.3
155.10709	2.3
161.07860	1.8
161.13220	11.7
163.03857	3.2
165.12750	6.1
174.99182	3.3
175.14813	5.6
177.16289	1.5
179.14316	5.1
189.16382	2.5
190.15877	3.6
191.18011	2.1
192.09547	2.2
192.13852	6.0
193.19537	5.3
194.09071	1.7
197.09726	2.0
197.11732	8.9
197.15372	1.5
206.15408	22.3
207.16127	11.3
217.16028	1.7
217.19533	30.3
235.16974	1.9
235.20572	21.3
253.08565	4.9
253.12875	6.7
253.15706	6.9
253.18013	4.0
253.21646	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	253.1585
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.6
55.01861	1.6
55.05496	3.7
57.07063	4.3
57.52912	1.2
67.05503	17.5
69.07055	5.5
71.04988	1.3
71.08620	1.3
71.51838	1.1
79.05486	5.8
81.07050	15.4
83.04941	1.3
83.08610	3.7
84.17184	1.2
87.47083	1.3
91.05474	19.5
93.07029	12.2
95.04965	1.7
95.08601	17.4
98.98464	65.2
100.47627	1.3
103.05447	2.9
105.07030	23.7
107.04948	28.8
107.08585	15.5
109.10148	36.7
111.11639	1.5
115.05451	3.2
116.99497	1.6
117.07004	8.3
119.04932	28.4
119.08571	7.5
121.06509	7.1
121.09309	2.2
121.10143	24.9
123.11737	1.6
124.78929	1.2
129.07008	2.2
131.04918	8.1
131.08513	4.0
133.05478	2.0
133.06490	35.2
133.10120	8.4
140.01099	2.8
141.05501	2.0
141.06970	2.8
145.06488	25.2
145.10132	2.4
147.08040	13.3
147.11647	2.7
153.07028	1.9
154.07692	1.7
155.08583	2.1
157.06497	15.6
159.08046	14.4
159.11699	5.5
161.09647	6.5
165.07011	3.4
167.08543	3.5
169.06482	2.9
171.08040	32.6
173.09621	11.1
174.99222	1.6
176.98889	1.6
178.07849	9.2
179.08557	10.0
181.06425	5.2
181.10123	3.1
182.07243	9.8
183.08060	17.3
183.11691	2.1
185.09665	5.3
192.09270	1.6
193.10126	5.7
195.08031	5.6
196.08820	12.3
197.09634	44.8
197.11635	5.6
207.08047	3.3
207.11673	1.9
209.09607	5.3
210.10362	6.3
211.11171	71.2
212.11559	1.5
223.11247	3.0
224.11995	3.6
225.12680	8.2
225.22058	1.7
229.79834	1.7
231.95090	1.2
235.07564	2.2
235.11160	1.7
238.13504	2.7
253.08768	2.6
253.15877	100.0
254.16304	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	253.1586
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.4
53.63310	0.4
55.01861	0.9
55.04486	0.4
55.05509	2.3
57.07056	0.5
67.05495	3.5
69.07071	4.2
69.89896	1.9
71.08626	0.4
79.05490	3.0
81.07059	3.9
83.08604	1.1
91.05474	5.1
93.07040	3.7
95.04946	0.9
95.08604	9.8
98.98466	8.5
103.05451	0.5
105.07030	6.9
107.04952	29.2
107.08590	25.5
109.06491	0.7
109.10154	1.5
115.05450	1.6
116.06181	0.6
116.99535	0.6
117.07018	7.2
118.59034	0.4
119.02972	0.4
119.04919	1.4
119.08575	9.1
121.06512	3.3
121.10127	1.1
128.06226	1.0
129.07010	0.8
131.04912	1.8
131.08543	3.8
133.06494	6.7
133.10115	5.4
141.07001	1.3
143.08568	0.7
144.05678	1.6
145.06488	5.5
145.10112	1.7
147.08046	5.8
147.11681	2.1
152.06177	0.9
153.07005	4.3
154.07823	0.7
155.08551	1.2
157.06464	4.1
157.10048	0.5
159.08052	13.6
159.11662	5.3
159.12863	0.6
160.08344	0.5
161.09610	1.8
165.07001	2.7
167.08604	2.6
169.06439	0.5
169.07693	0.5
169.10097	0.9
170.07297	0.7
171.08051	15.9
171.09529	0.9
172.08452	0.4
173.09605	4.1
178.07751	1.3
179.08556	4.5
181.06488	1.6
181.10114	0.5
182.07259	3.9
183.08043	16.7
184.08688	0.7
185.09642	6.6
187.11166	0.8
193.10139	1.1
195.08043	1.9
196.08829	2.6
197.09618	28.0
198.10155	1.2
199.11237	1.1
209.09605	3.2
210.10390	3.1
211.11179	10.1
223.11191	1.0
224.12029	1.0
225.12721	2.5
238.13464	0.9
253.15869	100.0
254.16216	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	253.1584
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	0.8
55.01856	1.0
55.05497	2.0
57.07061	1.3
61.62797	0.5
62.15170	0.6
65.03925	0.6
67.05499	4.0
67.05811	0.6
69.07065	4.4
71.26259	0.6
71.59496	0.7
71.59871	0.6
72.90638	0.5
79.05496	4.4
81.07058	12.5
83.08587	0.9
88.93615	0.6
91.05482	5.6
93.07032	5.2
95.04933	0.6
95.08602	8.9
97.02884	0.8
98.98461	27.0
103.05453	0.9
105.07024	11.3
107.04948	27.3
107.08583	5.7
109.10143	2.4
115.05451	1.3
116.06222	0.7
116.99551	1.1
117.07019	4.6
119.04924	1.8
119.08581	4.4
121.06489	2.4
121.10152	1.5
126.89335	0.6
128.06219	1.1
129.07024	0.8
131.04926	1.7
131.08556	4.9
132.05708	0.6
133.06499	6.6
133.10133	10.1
135.11656	0.6
140.01027	0.8
141.05496	0.9
141.06987	1.5
143.08546	0.9
144.05710	1.8
145.06482	6.8
145.10114	0.9
147.04366	0.8
147.08066	2.2
147.11658	2.3
153.06981	0.9
155.08519	0.7
157.06483	7.0
157.10075	0.6
159.08047	18.7
159.11679	3.6
161.09587	1.5
165.07030	1.9
167.08566	1.2
171.08051	9.7
173.09605	6.2
176.98944	0.7
178.07809	0.6
179.08502	2.2
179.10794	0.6
181.06432	1.2
182.07242	2.3
183.08051	14.2
185.09595	5.3
193.10107	1.6
195.08020	1.5
196.08821	1.2
197.09627	15.8
197.11589	1.4
198.10306	0.7
207.08092	0.8
209.09622	3.8
210.10399	6.5
211.11166	9.3
212.11749	0.6
225.12781	4.1
235.17041	0.7
238.13664	1.0
253.15884	100.0
254.16293	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1585
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	3.4
57.07071	2.7
67.05501	8.1
67.39394	0.6
69.07069	3.9
69.64333	3.0
69.64761	2.3
71.08627	3.9
71.08940	0.8
71.95399	0.7
79.05489	4.4
79.23387	0.8
81.07045	7.6
82.61064	0.7
83.08615	2.0
91.05490	4.7
93.07051	9.5
95.04962	1.1
95.08607	16.2
98.39674	0.9
98.98462	21.3
105.07019	4.2
107.04947	13.7
107.08591	31.5
109.06526	1.0
109.10150	7.9
115.05438	1.5
117.07005	2.2
119.08547	1.9
121.06514	2.9
121.10139	3.3
128.06229	0.9
129.07062	0.7
131.04895	2.1
131.08566	3.3
132.05725	0.8
132.89700	0.8
133.06488	6.1
133.10120	2.1
141.06995	2.1
144.05710	1.3
145.06482	17.3
145.10152	1.6
147.08035	6.8
147.11719	1.3
153.06952	2.6
154.07770	1.0
155.05943	0.8
155.08551	3.2
157.06488	17.3
159.08054	23.3
159.11673	1.8
161.09589	2.4
165.06967	5.6
166.07713	0.8
167.08560	2.3
169.10069	1.7
170.07291	0.9
171.08057	13.0
173.09637	5.4
178.07823	1.6
179.08574	8.7
181.06477	3.2
181.10162	1.9
182.07257	6.0
183.06477	1.6
183.08058	25.6
185.09604	5.2
187.11157	1.8
193.10127	2.2
195.08032	1.6
196.08798	3.6
197.09619	51.8
197.11568	2.6
198.10349	2.3
199.11198	3.0
207.08090	1.1
209.09641	2.3
210.10365	2.4
211.11157	17.9
212.11855	1.0
225.12733	5.6
235.17038	0.7
238.13596	1.4
253.15883	100.0
254.16228	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.107
Annotation	3-O-Acetylniduloic acid
Peak:m/z	Relative Intensity
52.70739	1.1
53.03927	1.2
55.01871	21.0
55.05507	2.6
57.03436	3.5
57.07071	5.4
60.04522	1.3
61.02916	2.1
61.52853	1.0
64.57387	1.0
67.05488	5.1
69.03417	5.1
69.07059	3.7
69.43649	8.7
71.04978	3.0
72.08167	1.3
73.02908	7.3
75.74911	1.0
79.05483	3.7
81.03407	2.3
81.07057	6.9
81.19611	1.2
83.05009	2.0
83.08615	2.5
84.08143	1.4
87.61892	1.2
91.05471	9.4
93.07046	4.3
95.04976	3.9
95.08614	7.1
96.71865	1.4
97.02894	10.7
98.21515	2.0
98.98462	100.0
103.03917	1.3
103.05486	3.2
105.07032	10.7
107.04959	9.6
107.08590	3.8
109.06521	1.8
109.10152	4.7
110.06058	3.1
115.03903	2.4
115.05466	6.8
116.98740	1.1
116.99450	5.7
117.07018	20.3
119.04935	1.2
119.08579	3.9
121.06488	9.5
121.10143	1.4
123.04461	1.4
123.08023	1.4
123.11716	2.5
127.03893	1.2
128.06215	12.4
129.06992	5.2
131.04953	3.3
131.08531	2.4
133.06482	20.5
134.07266	1.4
135.08037	7.7
137.05983	3.4
137.09595	1.3
140.01068	1.3
141.05490	3.9
141.07005	2.5
143.08580	6.1
144.05702	2.7
145.06477	42.2
147.08032	13.9
149.06012	3.0
149.09579	1.2
151.07542	21.8
151.11142	1.5
152.06215	1.6
153.06992	5.2
154.07776	2.2
155.06033	1.9
155.08566	2.5
157.06429	5.4
159.08023	9.4
161.06027	2.0
161.09642	2.3
163.07532	12.3
165.05490	1.3
169.06535	2.1
171.08037	14.5
173.05968	3.9
174.99268	3.4
175.07550	43.9
176.98930	3.3
177.05518	1.3
177.09108	2.8
179.10669	1.1
181.06473	2.4
187.07567	6.7
189.09061	8.4
191.06999	2.8
197.11734	9.3
199.07538	17.5
205.08572	3.7
217.08575	31.0
225.09105	2.1
235.05998	1.4
235.09601	22.1
235.16930	1.4
253.08507	3.0
253.10843	11.7
253.14182	1.4
253.18051	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	253.1585
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34064	0.8
55.01872	1.0
55.05503	2.2
57.07079	2.0
67.05505	6.1
69.07072	6.5
71.58693	1.0
77.03953	0.8
79.05496	5.8
81.03411	1.0
81.07055	10.1
83.08633	1.2
91.05485	7.7
93.07041	7.2
95.04974	1.9
95.08613	9.3
95.09167	1.1
97.02884	1.2
98.98466	100.0
100.98930	1.3
103.05482	0.8
105.07045	9.5
107.04952	28.7
107.08601	7.6
109.10157	5.1
115.05463	1.4
116.99511	4.8
117.07039	9.2
118.07866	0.7
118.69881	0.8
119.04950	3.2
119.08584	4.1
121.06529	2.3
121.10144	4.4
123.04447	1.0
123.08102	1.0
129.06975	1.1
131.04922	1.8
131.08583	4.0
133.06487	8.8
133.10126	12.6
134.95901	0.8
135.11697	1.2
140.01048	1.8
141.05457	1.7
141.07066	0.9
143.08615	1.3
144.05676	0.9
145.06465	8.0
145.10172	0.9
147.08046	2.9
147.11655	2.7
153.06998	1.5
155.08531	1.4
157.06496	8.5
159.08055	11.9
159.11653	3.5
161.09625	2.8
165.07004	3.2
165.12787	0.8
167.08559	1.4
169.10120	1.2
170.07404	0.9
171.08063	10.5
173.09653	4.5
174.99211	2.7
175.11307	0.7
176.98935	3.0
178.07779	2.6
179.08577	3.0
181.06462	1.9
181.10208	1.1
182.07283	4.1
183.08064	18.4
185.09613	4.5
193.10127	1.6
195.08043	2.1
196.08813	3.3
197.06248	0.8
197.09625	15.5
197.11708	3.6
209.09628	2.5
210.10396	5.0
211.11172	13.6
212.11864	1.1
217.19479	0.8
221.15402	1.2
223.11148	1.3
225.12746	4.3
235.16972	1.1
238.13582	1.6
253.08611	2.0
253.15884	92.7
254.16194	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.1229
Annotation	Ac-Tyr-OEt
Peak:m/z	Relative Intensity
55.01855	1.2
55.05486	0.6
60.04517	1.3
69.07054	0.8
70.46569	0.5
70.99654	1.7
79.05504	3.5
81.07044	1.4
86.17249	0.6
91.05473	1.6
92.05779	0.5
93.07042	0.9
95.08602	0.7
98.98461	13.2
103.05450	2.5
103.32330	0.6
104.06245	1.1
105.07027	26.8
107.08560	0.7
115.05442	4.6
115.14504	0.5
118.04144	1.6
120.08121	1.1
120.66793	0.6
131.04854	0.8
132.05711	1.8
132.08060	1.4
133.06490	22.9
133.10095	0.6
143.06041	1.5
146.05919	0.9
149.05952	0.7
160.05464	0.9
160.07578	21.7
161.05978	33.8
167.07059	4.3
178.06281	1.2
178.08643	1.0
188.07010	4.0
191.09410	25.5
193.08600	41.1
201.07854	0.7
205.98784	0.9
206.08136	10.6
208.09697	2.5
210.11227	7.3
219.08923	7.8
220.09680	1.7
222.07553	2.3
224.16446	0.7
229.00346	1.1
234.12071	1.4
236.09132	1.0
237.09998	10.1
252.12308	100.0
252.23273	1.4
253.12729	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.0865
Annotation	Unknow
Peak:m/z	Relative Intensity
56.06014	0.3
56.78201	0.3
59.30517	0.3
69.80148	1.4
69.80576	0.9
70.02950	0.6
79.05480	0.7
87.00818	3.2
91.05466	0.7
91.97615	0.3
93.07037	1.6
98.98441	0.6
103.05463	6.1
104.03453	1.0
106.06561	0.3
107.04943	1.7
118.06538	10.2
119.77234	0.4
120.08099	100.0
121.08452	0.6
128.04968	1.3
131.04930	1.1
146.06004	19.0
164.07059	0.4
166.08662	1.7
188.07062	16.2
192.06549	1.4
206.08115	62.7
207.08424	0.4
216.06441	0.5
219.96902	0.4
234.07584	1.5
252.08563	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.0865
Annotation	Unknow
Peak:m/z	Relative Intensity
63.24111	0.8
63.31543	0.8
66.32748	0.8
70.91756	2.5
79.05060	1.3
79.05490	20.7
87.00831	3.5
98.98462	1.8
103.05452	10.3
104.03462	59.0
106.05831	1.6
106.06550	28.2
107.04949	100.0
118.06543	6.5
120.08103	59.7
131.04922	28.3
131.05933	1.1
132.04491	1.6
136.06175	2.5
137.55228	1.0
146.06018	11.5
149.05965	10.4
166.08623	1.2
188.07031	10.7
192.06544	33.2
206.08115	42.5
216.06583	1.2
234.07584	5.5
234.13631	1.0
252.08562	2.3
252.14612	1.4
264.27591	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.123
Annotation	Ac-Tyr-OEt
Peak:m/z	Relative Intensity
55.01862	1.0
56.05020	0.7
56.96558	0.8
60.04523	0.8
66.76220	0.3
69.07050	0.4
69.31119	0.4
69.31458	4.0
79.05484	1.9
81.07039	0.7
91.05479	1.1
93.03388	0.3
95.04959	0.6
95.08611	0.4
98.98462	12.3
103.05461	1.7
104.06232	0.7
105.07030	19.2
107.04942	0.4
107.08613	0.4
115.05453	3.9
118.04160	1.2
120.08079	0.9
131.04909	0.9
132.05681	0.5
132.08092	1.3
133.06493	22.3
143.04953	0.4
143.06044	1.3
145.96696	0.4
146.06007	0.5
149.06000	0.6
150.05479	0.4
160.07581	19.3
161.05978	27.3
162.06424	0.4
163.97644	1.0
167.07054	2.3
173.08461	0.3
176.07109	0.6
177.05368	0.3
178.06261	0.6
178.08627	0.8
181.07394	0.5
188.07027	3.5
189.05600	0.3
191.09409	22.3
193.08603	33.5
194.37361	0.4
205.98781	1.6
206.08125	10.2
208.09607	2.6
210.11270	5.4
219.08919	5.8
220.09781	1.9
222.07610	2.4
228.09763	0.4
229.00230	0.8
234.08514	0.5
236.09151	1.4
237.09947	10.2
252.12311	100.0
253.12711	1.5
256.07101	0.4
271.76953	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.2004
Annotation	roughanic acid
Peak:m/z	Relative Intensity
51.58023	0.7
53.03928	2.4
55.01841	2.3
55.05260	1.2
55.05505	19.0
57.03411	0.9
57.07077	4.1
65.03923	2.5
67.05500	90.2
68.05839	1.2
69.03403	1.2
69.07059	21.1
69.45542	6.4
69.45950	1.5
71.04987	9.7
71.08620	0.9
73.06527	1.1
75.94974	0.7
79.05486	40.0
81.07050	100.0
83.04987	4.3
83.08617	12.0
85.02872	0.9
85.06532	8.3
91.05471	23.8
93.07036	60.4
95.04961	5.1
95.08599	90.9
97.06519	14.5
97.10146	7.2
98.98454	12.8
99.08072	2.0
101.06051	0.9
105.07021	14.2
107.04951	1.4
107.08585	39.3
109.06519	4.2
109.10148	52.8
111.08090	5.9
111.11710	2.2
113.05991	1.2
113.09623	1.4
115.05495	0.9
117.07021	6.1
117.29413	0.7
119.08571	14.3
121.06506	6.2
121.10134	38.0
123.08051	4.8
123.11695	19.7
125.05978	1.8
125.09615	1.9
127.07563	1.0
130.07710	0.9
131.08557	15.3
133.10127	19.3
135.08049	9.9
135.11673	25.9
137.09583	8.2
137.13232	7.3
139.07545	3.6
139.11098	1.5
141.09030	1.3
145.10117	15.1
147.11676	6.4
149.09599	12.9
149.13245	14.7
151.03949	0.8
151.11151	6.1
151.14737	1.1
153.09100	6.1
153.12663	1.5
155.10640	2.0
159.11671	10.2
161.06009	1.8
161.13231	3.6
163.11163	6.7
163.14812	1.5
165.12788	0.9
167.10680	4.4
173.13246	6.9
174.99239	1.1
175.14832	1.1
177.12773	3.0
181.12198	3.8
187.14793	2.8
189.16368	4.6
191.06943	1.2
191.14308	1.1
191.17934	22.5
195.13826	4.5
205.19490	3.8
209.15434	1.1
215.17940	30.8
219.08273	0.9
222.86157	0.9
233.18983	34.8
251.10776	2.2
251.20045	78.7
252.12233	1.6
252.20370	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.2005
Annotation	roughanic acid
Peak:m/z	Relative Intensity
52.17546	1.3
53.03939	1.4
55.01873	4.0
55.05504	16.9
57.07063	4.4
58.44526	1.4
65.03938	1.5
67.05503	75.0
67.05869	3.7
67.94067	1.3
69.03430	1.4
69.06725	1.6
69.07069	21.3
70.04887	4.5
70.05289	3.1
71.05004	6.6
73.02892	2.9
74.20277	1.3
79.05488	39.9
81.07055	100.0
83.04964	5.6
83.08605	6.0
85.02832	1.6
85.06528	5.7
91.05477	20.7
93.07040	71.3
95.04942	4.6
95.08603	99.9
95.91022	1.5
97.06536	13.3
97.10181	6.2
98.98465	40.1
103.05468	3.1
105.07030	14.4
107.04933	2.8
107.08595	40.1
109.06464	4.4
109.10154	49.4
111.08084	5.8
115.05428	1.9
117.07023	14.8
119.08582	14.3
121.06499	11.2
121.09312	2.2
121.10140	30.9
121.19028	1.3
123.08044	2.2
123.11700	19.7
125.09614	2.0
131.04906	4.6
131.08537	14.1
133.06479	3.0
133.10117	19.6
135.08052	19.9
135.11694	18.9
137.06004	3.2
137.09604	6.2
137.13242	5.6
139.07504	3.4
142.69080	1.3
145.06453	12.0
145.10107	10.3
147.11713	7.5
149.05992	7.0
149.09607	11.1
149.13261	11.0
151.11150	5.5
151.14738	1.8
153.09135	11.2
159.04352	1.5
159.11710	10.4
161.05949	10.1
161.13242	2.4
163.07552	7.5
163.11171	7.2
167.10623	6.7
173.06001	3.9
173.13248	5.4
174.06680	1.9
174.99228	2.6
177.05484	2.7
177.12755	3.8
179.08278	1.5
181.12254	7.1
187.07646	1.7
187.11139	3.3
187.14796	2.1
189.16455	4.2
191.07024	16.7
191.08528	3.2
191.17931	19.2
193.09105	6.0
195.06525	1.7
195.13766	5.8
203.07034	2.0
205.04944	7.8
205.12228	6.0
205.19595	2.6
208.08565	2.1
215.17946	27.7
221.08682	1.7
233.08083	9.9
233.11699	22.6
233.18993	28.3
236.07896	3.2
251.07002	3.5
251.09927	16.2
251.20061	77.6
252.12303	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	251.2005
Annotation	roughanic acid
Peak:m/z	Relative Intensity
53.03942	2.3
55.01859	6.1
55.05506	21.2
56.80609	1.6
57.03423	1.7
57.07068	3.0
65.03931	3.0
66.23804	1.5
67.05500	91.8
67.24622	1.5
69.03414	3.7
69.07066	23.6
71.04991	10.8
71.61482	1.5
73.02888	3.1
79.05487	40.4
81.03377	2.3
81.07052	100.0
83.04960	5.8
83.08634	10.2
85.02885	2.1
85.06528	10.0
91.05472	24.6
93.07037	59.0
95.04960	8.4
95.08602	93.8
97.02896	2.0
97.06519	16.8
97.10159	7.8
98.98463	92.7
103.05429	2.8
105.07024	23.2
107.04922	4.2
107.08590	47.8
109.06510	7.4
109.10152	50.0
109.56355	1.7
111.08077	9.0
111.11643	1.9
115.05425	2.9
116.99462	3.8
117.07004	8.8
119.04945	3.3
119.08577	14.8
121.06490	8.5
121.09304	3.2
121.10134	37.2
123.08051	6.9
123.11700	20.3
127.07647	1.7
129.07079	2.5
129.28232	1.8
131.04961	2.1
131.08556	19.0
133.06450	3.9
133.10126	24.1
135.08054	13.4
135.11691	28.6
137.05978	7.0
137.09584	9.4
137.13240	6.3
137.84860	1.8
139.07526	3.6
143.08568	2.3
145.02820	2.1
145.06470	4.9
145.10124	21.4
147.04428	3.9
147.11678	10.6
147.91006	1.8
149.05931	4.6
149.09602	10.6
149.13260	13.5
151.11171	7.9
153.09120	4.8
159.04373	2.7
159.08046	2.5
159.11662	11.2
161.05968	19.5
161.13251	3.5
163.07510	4.0
163.11165	12.8
165.07010	2.6
167.07092	2.7
167.08556	2.2
167.10666	5.3
173.05959	2.4
173.09621	4.5
173.13200	6.0
174.99223	5.3
177.05492	6.1
177.12724	5.2
179.94330	1.8
181.12239	8.0
187.11163	4.1
187.14795	6.6
189.06966	2.7
189.16359	4.1
190.07733	5.4
191.07001	5.6
191.08565	20.7
191.14310	3.8
191.17952	20.7
193.08627	5.1
195.08138	2.1
195.13773	3.9
203.07021	2.4
205.04901	8.0
205.08528	3.3
205.12242	4.7
205.19521	2.2
205.98920	2.3
208.08749	2.8
215.10629	5.7
215.17958	27.9
219.08046	22.4
220.08696	1.9
223.07487	4.1
233.08015	10.8
233.11642	10.3
233.15448	3.3
233.18974	35.2
234.12030	2.4
236.08351	3.1
251.06905	5.8
251.10844	29.2
251.16382	6.6
251.20061	85.6
252.12254	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	251.2005
Annotation	Methyl farnesoate
Peak:m/z	Relative Intensity
51.62375	1.7
53.03953	1.9
55.05501	2.4
57.07066	1.7
67.05172	2.8
67.05503	38.3
68.55873	1.8
69.07059	4.7
69.45920	17.7
77.70693	1.8
79.05487	15.7
81.03436	1.9
81.07058	86.3
83.08616	3.9
85.06546	2.4
91.05473	4.9
93.07042	12.6
95.08608	62.6
97.06497	2.5
97.93158	1.7
98.98469	100.0
105.07011	3.1
107.08611	9.3
108.70343	1.8
109.10152	27.2
116.99503	4.6
119.08607	4.0
121.06494	1.9
121.10136	9.4
123.08049	3.2
123.11686	7.6
131.08524	3.7
133.10077	4.1
135.11699	13.6
137.09616	3.7
140.01045	3.4
145.10130	5.9
149.09604	4.5
159.11653	5.6
163.11140	3.3
167.08566	2.5
174.99179	4.7
175.14867	2.6
177.12746	1.9
177.16394	4.4
195.08043	2.5
201.16347	16.2
205.06435	3.4
205.98775	4.2
219.13817	2.1
219.17409	11.6
223.07486	5.7
251.07054	19.4
251.20110	26.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	250.18
Annotation	Nupharidine
Peak:m/z	Relative Intensity
55.05499	6.7
67.05490	8.2
69.07072	12.3
69.34891	27.2
72.45588	2.3
79.05484	10.4
81.07065	16.4
83.04966	4.2
83.08614	3.1
84.08102	2.9
85.06542	3.4
86.06071	2.5
91.05474	14.2
93.07040	16.2
95.08607	17.0
97.06522	3.3
98.98463	68.4
101.07346	2.5
105.07030	29.0
107.08605	23.4
108.08099	3.3
109.06549	3.7
109.10164	9.8
110.07289	3.1
114.05537	3.4
116.99516	3.6
117.07043	3.0
119.08591	35.3
119.09375	4.0
120.08125	2.6
120.25424	2.7
121.06532	3.4
121.10151	17.9
123.11700	7.4
131.08569	10.3
133.10132	23.7
134.09676	3.5
134.10892	2.8
135.08055	4.7
135.11688	8.3
136.11188	3.5
136.44664	2.3
137.09634	3.3
140.01016	3.2
144.09264	2.4
145.10104	11.9
147.11687	26.4
149.09636	4.6
149.13281	5.8
151.11214	4.4
156.04356	2.6
159.11700	17.5
161.13257	9.0
162.12830	4.8
162.14046	17.7
164.10748	2.6
166.08687	4.6
173.13194	7.1
174.99242	3.5
175.14764	2.7
176.39900	2.7
177.12802	16.1
187.14786	7.2
190.12276	3.4
190.15901	3.5
203.17989	15.9
205.15903	7.4
220.18161	6.0
232.14317	2.9
232.16946	5.9
250.18045	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1276
Annotation	Norsecoglutinosone
Peak:m/z	Relative Intensity
55.01867	2.2
55.05487	1.0
57.03436	25.4
57.07059	1.2
67.05494	1.7
69.03412	1.4
69.07048	2.0
70.87913	3.2
71.04979	1.5
78.40763	1.3
79.05487	2.7
81.07040	3.9
83.04985	1.5
91.05479	20.3
93.07037	3.2
95.04951	2.4
95.08596	3.5
97.02905	1.3
97.06516	3.5
98.98460	58.4
99.08064	1.3
99.95310	1.1
103.05430	2.0
105.07018	3.5
107.04960	2.2
107.08540	1.3
110.23428	1.1
115.05463	4.6
116.99485	3.0
117.06999	2.2
119.04932	10.2
119.08566	3.3
120.08128	1.2
121.10142	2.4
123.04408	3.5
123.08030	1.4
129.07007	2.5
129.21471	1.3
131.04967	1.5
131.08583	3.9
133.06479	2.5
133.10129	2.1
137.05974	100.0
138.06325	1.8
143.04909	4.3
145.06482	4.3
145.10127	2.3
149.05946	4.5
159.08003	2.1
159.11676	1.9
161.05971	19.6
161.09595	1.2
163.07564	1.5
163.11166	1.2
165.07014	1.5
167.08504	1.2
173.05991	3.3
174.99280	2.8
175.07562	2.2
177.09114	4.3
178.07802	3.9
179.08536	1.4
180.09319	1.7
187.11304	1.8
189.09163	1.8
190.07724	1.4
191.07021	7.8
191.08577	10.6
191.10208	1.5
193.06429	2.2
194.07301	2.0
197.09648	2.6
202.07788	2.2
205.08414	1.3
205.12228	2.2
206.07266	2.7
207.08081	5.0
208.08803	7.3
215.10663	5.9
218.07230	1.2
219.08051	4.4
220.08772	1.9
221.05908	1.4
223.07521	1.8
223.11218	4.9
233.08070	1.3
233.09523	2.5
233.11703	34.9
233.15398	2.5
234.12141	3.3
235.07506	2.2
236.08318	45.4
251.07111	5.3
251.10670	49.9
251.12895	6.4
251.16368	4.3
251.20125	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.2005
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.3
55.01859	6.1
55.05506	21.2
56.80609	1.6
57.03423	1.7
57.07068	3.0
65.03931	3.0
66.23804	1.5
67.05500	91.8
67.24622	1.5
69.03414	3.7
69.07066	23.6
71.04991	10.8
71.61482	1.5
73.02888	3.1
79.05487	40.4
81.03377	2.3
81.07052	100.0
83.04960	5.8
83.08634	10.2
85.02885	2.1
85.06528	10.0
91.05472	24.6
93.07037	59.0
95.04960	8.4
95.08602	93.8
97.02896	2.0
97.06519	16.8
97.10159	7.8
98.98463	92.7
103.05429	2.8
105.07024	23.2
107.04922	4.2
107.08590	47.8
109.06510	7.4
109.10152	50.0
109.56355	1.7
111.08077	9.0
111.11643	1.9
115.05425	2.9
116.99462	3.8
117.07004	8.8
119.04945	3.3
119.08577	14.8
121.06490	8.5
121.09304	3.2
121.10134	37.2
123.08051	6.9
123.11700	20.3
127.07647	1.7
129.07079	2.5
129.28232	1.8
131.04961	2.1
131.08556	19.0
133.06450	3.9
133.10126	24.1
135.08054	13.4
135.11691	28.6
137.05978	7.0
137.09584	9.4
137.13240	6.3
137.84860	1.8
139.07526	3.6
143.08568	2.3
145.02820	2.1
145.06470	4.9
145.10124	21.4
147.04428	3.9
147.11678	10.6
147.91006	1.8
149.05931	4.6
149.09602	10.6
149.13260	13.5
151.11171	7.9
153.09120	4.8
159.04373	2.7
159.08046	2.5
159.11662	11.2
161.05968	19.5
161.13251	3.5
163.07510	4.0
163.11165	12.8
165.07010	2.6
167.07092	2.7
167.08556	2.2
167.10666	5.3
173.05959	2.4
173.09621	4.5
173.13200	6.0
174.99223	5.3
177.05492	6.1
177.12724	5.2
179.94330	1.8
181.12239	8.0
187.11163	4.1
187.14795	6.6
189.06966	2.7
189.16359	4.1
190.07733	5.4
191.07001	5.6
191.08565	20.7
191.14310	3.8
191.17952	20.7
193.08627	5.1
195.08138	2.1
195.13773	3.9
203.07021	2.4
205.04901	8.0
205.08528	3.3
205.12242	4.7
205.19521	2.2
205.98920	2.3
208.08749	2.8
215.10629	5.7
215.17958	27.9
219.08046	22.4
220.08696	1.9
223.07487	4.1
233.08015	10.8
233.11642	10.3
233.15448	3.3
233.18974	35.2
234.12030	2.4
236.08351	3.1
251.06905	5.8
251.10844	29.2
251.16382	6.6
251.20061	85.6
252.12254	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	249.185
Annotation	Methyl 3,4-dihydronidorellaurinate
Peak:m/z	Relative Intensity
51.02385	1.0
53.03949	5.3
55.01870	0.8
55.05511	5.7
57.03434	0.9
57.07070	0.8
59.04992	2.8
65.03933	1.0
67.05505	24.6
67.73988	0.7
69.07073	4.0
69.88702	1.6
69.89120	2.9
69.90192	0.7
71.05009	1.1
73.06575	1.0
73.18482	0.7
77.03947	0.8
78.18330	0.8
79.05493	37.5
81.03410	0.9
81.07058	14.3
83.04986	2.1
83.08641	2.0
85.06545	3.7
91.05480	39.2
93.07045	100.0
95.04961	12.7
95.08605	12.6
97.06521	2.0
99.08130	0.9
101.06014	0.7
105.04524	2.6
105.07034	11.9
107.04950	1.5
107.08594	22.3
107.09293	1.6
109.06525	0.8
109.10141	3.8
111.08076	2.0
117.07021	4.3
119.04906	1.7
119.08585	13.7
121.06539	1.3
121.10140	32.7
123.04435	0.9
123.08107	1.0
128.06198	0.8
129.07030	3.4
131.08580	7.2
133.10129	14.8
135.08043	4.1
135.11679	7.1
137.09627	2.3
138.05461	0.7
139.07553	3.0
143.08568	4.6
145.10120	5.6
146.34962	0.7
146.87108	0.7
147.04387	5.7
147.08034	2.0
147.11742	2.3
149.09619	1.6
151.11220	2.3
157.10143	5.2
159.11705	1.7
161.05994	2.3
161.09628	2.7
161.13200	1.0
165.05524	1.1
171.11713	2.6
173.13252	3.2
174.98566	1.7
175.07565	2.2
175.11200	1.4
175.14854	7.5
185.09657	1.0
185.13231	3.9
187.07401	0.8
189.12781	2.7
189.16339	4.3
191.10561	0.7
199.14786	9.7
203.10669	8.7
203.14308	1.9
207.02971	1.6
207.13950	0.9
213.12695	1.2
217.15898	8.7
219.08170	1.0
231.13815	8.8
247.99304	0.6
249.03996	3.3
249.07257	0.9
249.11273	1.5
249.14923	3.5
249.18495	21.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1121
Annotation	3,4-dihydroxy-5-prenylcinnamic acid
Peak:m/z	Relative Intensity
53.03934	1.9
55.01851	1.2
55.05505	1.1
56.96552	2.2
57.03423	1.4
59.04989	1.7
67.05483	3.7
67.18703	1.0
69.03430	7.7
69.07041	1.2
69.69783	2.1
69.70197	4.9
71.04984	2.2
73.02896	1.3
79.05471	3.7
81.03414	11.4
81.07034	3.7
83.04977	1.0
85.02901	14.2
87.00830	2.0
89.03926	1.5
91.05478	21.1
92.59873	0.9
93.07034	5.5
95.04942	4.1
95.08588	3.4
97.02869	3.0
97.57872	0.9
98.20782	1.8
99.04435	2.1
103.05452	4.1
105.07016	11.6
107.04955	5.8
107.08578	2.5
109.02855	3.6
109.10104	1.2
115.05437	15.6
116.06230	9.1
117.07024	9.0
119.04884	1.6
119.08602	5.5
121.06498	10.4
121.10145	3.0
123.08059	1.9
125.06023	1.1
127.03880	4.3
128.01225	1.6
128.06221	12.0
129.06998	44.3
130.07765	1.3
131.04921	6.3
131.08562	41.8
132.05678	2.8
133.06497	8.4
133.10138	4.7
135.04393	2.3
135.08018	2.1
138.06772	2.0
141.06989	17.4
142.07773	2.9
143.08562	9.0
144.05701	31.1
144.74638	1.1
145.06482	19.8
145.10104	6.0
146.07182	4.6
147.04399	3.6
147.08040	3.2
147.11646	1.0
151.07541	2.1
153.05376	1.4
153.07008	2.7
155.04883	2.3
155.06032	2.3
156.05646	3.9
157.06467	14.9
157.10129	2.7
158.07320	5.3
159.08052	64.4
159.11641	2.4
161.05992	8.4
161.09613	15.4
161.13268	1.5
163.03893	6.6
165.06953	2.1
167.07042	5.0
169.06425	2.2
169.07608	7.3
170.07251	4.7
171.08032	7.9
171.11644	1.7
172.05162	5.3
173.05983	17.8
173.09610	2.7
174.06734	3.5
175.07545	6.8
175.11172	1.5
177.05492	2.3
178.06256	3.9
181.08588	19.9
182.38965	0.9
183.04845	1.2
185.13235	7.0
186.06686	3.0
187.07535	61.5
188.08260	1.8
189.05496	6.4
189.09091	29.8
189.12720	1.1
191.07040	5.1
193.08588	4.5
199.07539	4.4
201.05611	0.9
202.06213	1.7
203.06975	3.5
203.10678	1.7
203.14301	4.4
204.07828	15.1
205.08589	12.7
206.09274	3.3
207.06699	1.3
213.12700	2.5
216.07802	2.3
217.08591	21.0
219.10152	100.0
220.10336	1.1
221.11705	30.8
231.10184	11.8
231.13783	22.8
249.02898	1.1
249.11208	63.1
249.14955	3.3
249.18498	1.5
250.05888	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1121
Annotation	3-Dimethylallyl-4-hydroxyphenylpyruvate
Peak:m/z	Relative Intensity
55.05487	0.7
56.96562	1.0
57.07068	1.3
58.51275	0.4
59.04983	1.4
61.29586	0.4
65.03915	0.7
65.35448	0.4
67.05506	2.0
69.03419	0.6
69.07056	0.8
70.67463	0.4
71.59397	0.8
72.16190	0.4
79.05484	1.6
80.64699	0.3
81.03406	0.6
81.07059	2.9
85.02924	0.5
85.06529	1.4
91.05479	8.4
93.07034	1.6
95.04960	1.0
95.08613	3.0
95.09146	0.4
97.02962	0.4
101.46444	0.4
105.07057	2.7
107.04958	0.8
107.08594	1.3
108.06766	0.4
109.06536	0.6
109.10126	1.5
111.04327	0.4
115.05405	0.5
117.07002	1.0
119.04942	22.1
119.08571	2.0
121.06473	0.7
121.10159	1.5
123.08070	0.5
123.11689	1.8
124.24489	0.4
129.06967	1.4
130.07762	0.4
131.08528	2.1
133.06511	0.5
133.10106	1.8
135.11650	0.6
137.05995	0.5
137.09648	0.5
143.08563	1.4
143.94771	0.5
145.10159	2.7
145.11098	0.5
147.04408	100.0
147.11653	0.5
148.04739	0.5
149.09659	0.9
157.06474	0.6
157.10112	1.7
159.08040	1.0
159.11697	1.2
161.06003	0.7
161.09593	0.9
161.13214	0.8
165.05499	1.8
171.08208	0.6
171.11719	0.6
173.09613	1.2
175.07550	1.4
185.13257	2.5
191.08551	1.0
191.10634	0.9
193.08504	0.6
201.18480	0.5
203.14340	2.0
207.13875	0.5
213.12730	1.1
219.08092	1.0
231.10179	4.4
231.13766	7.3
231.21207	0.5
240.10947	0.4
249.03957	0.5
249.09082	1.9
249.11259	9.8
249.14799	3.0
249.18553	0.8
249.25195	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1486
Annotation	Enokipodin A
Peak:m/z	Relative Intensity
55.05512	0.6
57.07066	1.5
59.04995	0.7
59.63290	0.4
60.02126	0.4
60.38126	0.5
65.03938	0.6
66.69984	0.4
67.05505	3.1
69.07057	0.5
71.19687	0.6
71.20027	0.5
72.91025	0.4
79.05495	1.3
81.07056	2.3
85.10177	1.4
88.11588	0.4
91.05475	8.2
93.07044	2.5
95.04978	0.7
95.08601	1.5
105.07021	1.2
109.10168	0.7
116.16062	0.3
117.06950	0.4
118.52372	0.4
119.04946	23.1
119.08575	1.1
121.10139	1.2
122.12225	0.5
129.81378	0.4
131.08560	0.7
131.64034	0.5
133.10150	0.8
143.08577	0.5
145.10146	1.5
147.04411	100.0
148.04726	0.6
156.97495	0.6
157.10118	0.6
165.05478	36.0
171.11745	0.5
173.09651	0.5
174.98560	1.7
185.13248	1.3
191.08630	0.4
207.02928	0.8
213.00136	0.9
231.13815	3.4
237.11075	0.5
249.03952	1.0
249.08989	0.4
249.14954	1.1
249.18498	1.0
257.78397	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1696
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.6
55.05507	8.3
56.66670	1.3
57.03426	5.2
57.07068	2.0
59.04983	1.7
67.05501	34.6
69.03441	10.3
69.07059	16.5
71.04993	43.0
71.58618	1.5
71.59032	2.5
79.05492	22.1
81.03407	4.8
81.07055	33.1
83.04992	4.3
83.08620	5.0
85.02902	13.5
85.06532	8.6
87.00845	2.1
87.04449	2.2
91.05476	15.4
93.07042	41.9
95.04960	3.3
95.08602	28.2
97.02898	6.8
97.06516	11.5
99.04455	3.2
105.07027	10.6
107.04948	2.6
107.08587	26.3
109.02881	3.4
109.06522	1.9
109.10156	18.1
111.04430	4.5
111.08068	4.6
117.07051	6.6
119.08578	5.9
121.06487	5.2
121.10131	5.1
122.84959	1.3
123.08076	1.6
125.06017	2.6
127.03918	6.1
128.06204	1.5
129.05472	15.3
129.06976	2.9
131.04938	1.5
131.08575	11.9
133.10121	9.6
135.04445	1.5
135.08107	3.1
135.11688	100.0
139.07529	2.6
141.07025	2.2
141.34818	1.5
143.08562	5.0
144.05707	1.7
144.63171	1.5
145.06506	1.7
145.10086	6.5
147.08070	1.9
147.11650	3.2
149.13246	11.3
151.11198	2.2
152.05666	3.8
153.12740	60.7
157.06512	2.3
157.10139	2.3
159.08031	3.9
159.11703	14.7
161.06001	1.7
161.09598	3.1
163.03934	2.2
171.08026	1.9
171.13812	13.6
173.09587	2.5
175.07591	2.7
177.12769	19.9
177.26588	1.2
181.08513	1.4
185.13268	6.4
189.09143	3.0
190.56349	1.5
195.11986	2.5
195.13788	35.0
203.14381	4.2
213.12665	3.8
213.14804	27.3
214.09372	1.4
219.10182	4.0
231.10298	1.5
231.13803	20.9
231.15938	7.2
249.03899	2.5
249.07597	5.0
249.11343	3.2
249.14766	7.1
249.18607	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	249.0371
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96551	18.1
71.57582	3.4
73.02926	4.5
73.60219	3.3
81.03416	5.0
85.02891	5.0
94.93017	4.8
98.97588	58.3
100.99152	7.6
101.00889	10.4
115.02454	3.7
116.98622	45.4
119.01917	43.6
123.70339	3.5
133.03448	12.0
134.99670	19.8
137.02972	5.0
143.00175	6.1
143.01871	9.0
145.03462	4.5
146.08093	11.6
147.05045	13.5
149.01270	3.5
158.99692	10.8
161.01260	11.7
161.02963	39.7
165.06163	4.0
171.05035	37.2
175.04520	6.6
177.00746	19.8
177.02365	5.4
189.00757	10.9
189.06078	21.5
207.01775	30.7
207.07074	8.4
212.07495	4.5
225.02693	8.1
225.08145	8.2
231.13666	5.6
249.03827	65.7
249.08160	100.0
249.14548	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	249.091
Annotation	1-Hydroxy-6-methoxypyrene
Peak:m/z	Relative Intensity
58.34005	0.2
69.03427	0.4
69.66850	1.6
70.45157	0.2
85.02901	0.9
87.00841	0.4
97.02886	0.6
98.84329	0.2
98.97567	0.3
99.04400	0.3
107.08587	0.4
109.02838	0.4
119.08569	0.3
126.55629	0.2
127.03904	0.7
133.10165	0.5
152.06239	0.3
162.13467	0.2
165.06998	1.4
175.14751	0.2
176.06091	0.3
177.07045	0.5
178.07780	5.4
179.08594	0.6
189.06978	3.3
189.08513	0.3
190.07779	10.0
191.08551	55.7
192.09003	0.7
192.34166	0.2
193.10133	3.1
201.06952	1.2
202.07774	4.7
202.09505	0.4
203.08566	5.5
205.06458	1.3
205.53545	0.2
206.07280	0.7
207.08177	0.4
218.07339	1.0
219.08055	36.6
220.08459	0.8
221.06046	0.5
221.09581	2.1
222.06691	0.3
229.07558	2.6
231.07962	1.3
231.13737	0.3
232.08849	0.5
234.06874	0.4
235.07651	0.4
240.55281	0.3
247.07567	0.8
248.08391	0.6
249.09108	100.0
250.09491	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.112
Annotation	Prenyl caffeate
Peak:m/z	Relative Intensity
50.03286	0.7
56.96574	2.0
57.82020	0.8
59.04995	1.2
60.26419	0.6
60.95849	1.0
67.05508	2.3
69.07068	88.4
69.46848	0.7
70.20744	0.7
70.21078	2.9
78.52330	0.6
79.05492	1.4
79.38750	0.6
81.07075	1.6
89.03919	2.0
91.05482	2.7
91.68169	0.7
93.07062	2.2
95.04973	0.6
98.97553	0.6
105.05869	0.6
105.07037	2.3
107.04950	1.0
107.08582	1.4
109.10165	2.7
110.10432	0.8
111.82397	0.7
113.73444	0.6
117.03371	3.9
119.04964	2.4
119.08585	1.3
125.02480	0.8
129.06961	0.6
131.08595	1.5
133.10098	0.7
135.04436	12.9
143.08568	1.3
145.02834	9.1
145.10118	2.0
147.04416	10.1
148.04703	0.8
159.11673	0.8
163.03905	100.0
171.11649	0.7
173.09576	0.8
181.04959	62.5
183.06900	0.9
185.13246	1.8
189.12474	0.6
195.11731	0.8
201.07947	2.0
203.14349	1.5
218.63223	0.7
231.13821	5.2
237.69383	0.6
249.03929	1.0
249.08760	0.9
249.11214	12.9
249.14899	2.2
249.18425	1.1
259.01236	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1329
Annotation	Parishin B
Peak:m/z	Relative Intensity
53.03939	4.6
55.05500	4.4
65.03935	3.3
67.05489	5.3
69.03426	14.9
71.19120	3.3
71.19470	1.7
79.05500	8.1
81.07054	8.3
81.07462	1.5
83.04980	15.6
91.05470	12.1
92.67941	1.5
93.03407	4.1
93.07053	12.7
94.03144	1.3
95.04966	6.0
95.08589	1.9
97.02877	5.9
98.98477	8.2
105.07024	11.8
107.08603	11.3
109.02873	20.3
109.06515	13.8
109.10138	2.8
111.04427	5.3
115.05453	2.3
117.07050	7.1
119.04977	1.5
119.08569	19.4
121.02856	3.1
121.06480	13.7
121.10129	7.0
123.08119	1.8
128.06195	3.5
129.06990	4.1
131.08553	15.8
133.10141	10.7
135.08043	25.5
137.05960	6.9
137.09604	5.0
139.03885	2.9
141.06998	2.7
142.07730	2.4
143.08566	12.1
144.09319	8.8
145.06499	8.8
145.10071	9.8
146.08075	1.7
147.08054	4.2
149.09621	21.2
150.10391	4.4
151.11171	4.0
153.07002	1.9
153.09062	1.5
155.08536	4.7
157.10106	4.1
158.07266	3.2
158.10905	11.8
159.08067	10.5
159.11694	26.9
160.08810	3.2
161.09645	3.4
163.03999	1.9
163.07516	17.3
163.11157	3.1
165.09071	2.6
168.09406	3.2
169.10062	1.9
170.10907	5.7
171.08104	7.4
172.08815	14.1
173.02159	1.5
173.09622	24.6
173.13246	38.2
175.07607	1.8
181.06470	2.6
183.11726	7.9
185.09555	3.1
185.13174	2.2
186.10405	20.0
187.11176	100.0
188.11574	1.7
189.09103	2.5
191.07022	25.8
196.08809	4.2
201.12747	64.4
203.14281	2.6
205.12253	6.3
211.11124	8.1
214.09827	3.5
219.13820	3.8
229.12233	59.1
230.12625	2.2
247.13298	62.5
247.20528	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1328
Annotation	Parishin B
Peak:m/z	Relative Intensity
53.03952	6.2
55.05501	3.6
65.03932	4.8
67.05492	4.0
69.03143	1.3
69.03429	17.5
69.60323	6.9
69.60741	2.7
79.05482	5.2
81.07050	8.7
83.04978	18.2
87.04428	1.2
91.05472	13.9
93.03380	4.4
93.07047	11.7
95.04954	5.5
97.02898	7.4
98.01818	1.2
100.60986	1.3
102.22034	1.2
105.07025	12.9
107.04921	1.5
107.08591	12.8
109.02875	15.0
109.06516	15.0
109.10127	2.6
110.62669	1.3
111.04428	3.7
111.08049	1.8
115.05376	2.9
117.06997	7.1
119.08578	17.8
121.02848	3.9
121.06487	17.1
121.10169	6.4
123.08059	2.2
128.06223	3.9
129.06984	5.5
130.07738	1.6
131.08577	16.5
133.10144	13.5
135.08032	25.2
137.05960	7.1
137.09622	3.0
139.03879	2.7
141.06958	2.5
142.07777	2.9
143.08551	11.6
144.09329	10.1
145.06467	9.4
145.10149	9.0
147.08035	4.0
147.74750	1.3
149.09627	22.7
150.10339	3.8
151.11122	4.2
153.06947	1.9
153.09079	2.1
155.08498	3.5
157.06647	1.3
157.10158	4.6
158.07274	2.6
158.10901	14.5
159.08049	11.1
159.11685	26.8
160.08754	3.5
161.09650	3.1
163.07527	19.3
163.11205	2.6
163.28438	1.4
165.09087	2.0
168.09328	4.9
169.10115	2.5
170.10905	5.6
171.08051	6.3
171.11513	1.3
172.08841	13.5
173.09624	29.6
173.13254	43.6
175.07567	1.7
181.06566	1.2
183.11681	10.2
185.13243	3.5
186.10416	23.3
187.11179	100.0
188.11435	2.0
189.09105	3.0
191.07034	23.2
196.08832	5.3
201.12743	65.8
202.13014	1.4
203.14265	1.6
205.12233	8.1
209.96582	1.3
211.11172	10.6
214.09996	2.4
219.13895	7.2
229.12236	67.9
230.12466	1.7
247.07759	7.0
247.13278	61.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1328
Annotation	Parishin B
Peak:m/z	Relative Intensity
53.03949	4.6
55.01864	1.6
55.05494	3.3
57.07071	1.1
59.04982	1.0
65.03926	4.2
67.05507	4.5
69.03428	16.7
70.23968	0.9
71.13631	1.7
79.05490	8.6
81.07047	8.7
83.04977	15.6
91.05473	14.3
93.03391	3.4
93.07035	12.6
95.04982	5.5
95.08629	1.4
97.02903	8.0
97.06501	1.3
98.04379	1.0
105.07035	11.2
107.04915	2.2
107.08595	13.0
109.02879	17.3
109.06515	12.8
109.10158	2.6
111.04420	4.5
111.08022	1.1
115.05442	3.4
117.07031	6.6
119.08582	19.9
121.02858	6.3
121.06489	19.5
121.10136	6.5
123.04452	1.2
123.08059	2.9
128.06180	3.1
129.07021	6.6
130.07794	1.5
131.04854	1.2
131.08563	19.5
132.05710	1.7
133.06487	1.0
133.10120	13.1
135.04427	1.0
135.08052	25.3
137.05952	5.6
137.09592	3.0
139.03908	2.2
141.07022	1.6
142.07748	2.0
143.08553	10.5
144.09338	9.3
145.06464	10.5
145.10114	10.7
146.07230	1.2
147.08005	3.9
149.06046	1.1
149.09613	23.3
150.10373	4.8
151.07597	0.9
151.11194	3.2
153.07007	2.4
153.09058	1.4
155.08577	4.8
157.06516	1.2
157.10126	3.9
158.07285	2.7
158.10904	13.5
159.08049	9.0
159.10434	1.9
159.11684	28.3
160.08867	2.4
161.09618	3.8
163.05359	1.1
163.07530	19.3
163.11198	1.3
165.09155	1.2
168.09317	5.4
169.10117	2.7
170.10893	4.7
171.08038	6.8
172.08820	11.7
173.05989	1.9
173.09624	27.1
173.13249	38.6
175.07515	2.0
177.09058	1.1
181.06433	2.0
183.11621	7.3
185.09583	1.4
185.13246	2.2
186.10394	22.2
187.07547	2.3
187.11172	100.0
188.11607	1.5
189.09077	2.2
191.07025	24.6
191.08553	0.9
193.10086	2.2
196.08815	4.9
199.07556	1.7
201.12737	64.2
202.13116	1.3
203.14354	1.7
205.12227	7.9
211.11179	10.7
214.09863	2.7
219.13797	5.8
229.12228	69.4
247.13290	67.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1859
Annotation	Ile Ile
Peak:m/z	Relative Intensity
51.05762	0.3
53.54790	0.2
55.05506	0.4
67.05502	0.3
69.07055	0.6
70.97128	0.6
70.97504	0.6
75.27521	0.3
81.07054	0.4
86.09705	100.0
107.08558	0.5
116.98619	0.4
119.08539	0.4
123.04432	0.5
131.08559	0.4
132.10207	3.1
133.06525	0.4
133.10095	0.3
142.03247	0.9
151.03918	0.5
161.05968	0.3
199.07635	0.4
199.11244	0.4
199.18027	1.8
203.10728	0.5
227.17468	0.4
245.04448	1.5
245.08110	1.1
245.11748	0.6
245.18605	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	245.1858
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04001	0.2
55.05518	0.4
56.05017	0.4
57.05813	0.3
58.06594	0.2
67.05514	0.6
67.14638	0.2
69.07063	9.5
70.06573	0.3
71.04996	0.4
71.59518	0.4
79.05484	0.4
81.03405	0.5
81.07043	0.7
83.04970	0.3
84.04523	0.5
85.02893	0.7
85.06528	0.4
85.41370	0.2
86.09700	100.0
87.09997	0.3
91.05476	1.0
93.07048	0.7
95.04955	0.3
95.08617	0.3
97.06506	0.2
98.06074	0.3
105.07011	0.6
107.08578	0.6
109.06526	0.4
109.10137	0.4
115.03886	0.3
116.05457	0.3
119.08545	0.4
121.06522	0.5
123.04458	0.4
127.44479	0.3
132.10236	1.6
133.06503	0.4
142.03281	0.3
148.83582	0.2
151.03848	0.6
151.11148	0.2
157.06544	0.4
169.24509	0.2
181.06438	0.3
185.09471	0.4
185.18451	0.3
199.07339	0.4
199.11293	0.2
199.18024	0.7
208.87825	0.2
210.14859	0.3
217.08618	0.3
222.92522	0.2
245.04428	2.9
245.08055	1.5
245.10109	0.3
245.11731	0.4
245.13660	0.7
245.18610	5.7
245.22568	0.3
262.22955	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	247.1329
Annotation	Parishin B
Peak:m/z	Relative Intensity
53.03939	3.6
53.68303	1.0
55.01867	1.3
55.05493	4.6
57.07066	1.0
62.61555	1.0
65.03925	4.4
66.18575	1.2
67.05489	4.9
68.50005	1.0
69.03431	17.3
69.06505	1.1
69.07057	1.5
70.14966	2.6
70.15359	2.8
70.44777	1.0
71.15174	1.2
77.68688	1.1
79.05487	7.2
81.07043	8.7
83.04977	18.1
85.02909	1.6
85.49217	1.0
91.05472	14.1
93.03388	3.1
93.07041	12.4
95.04947	6.7
95.08608	1.6
97.02874	6.9
105.07027	15.1
107.04941	2.0
107.08584	12.9
109.02877	16.7
109.06505	12.1
109.10152	2.5
111.04416	6.6
115.05451	1.6
116.40808	1.1
117.07035	6.4
119.08577	16.3
121.02834	5.2
121.06508	18.9
121.10148	7.1
123.08128	1.9
123.52077	1.1
128.06216	3.1
129.06990	5.8
130.07767	1.5
131.08559	16.6
132.05687	2.5
133.10132	11.2
135.08044	24.1
137.05966	6.6
137.09564	3.6
139.03894	2.3
141.06981	1.4
142.07773	3.1
143.08539	11.5
144.09328	9.8
145.06441	7.2
145.10114	11.1
147.08067	3.8
149.09612	20.8
150.10329	3.9
151.11160	4.2
153.06953	1.8
153.09088	1.5
155.08551	3.9
157.10146	3.5
158.07289	1.9
158.10915	13.9
159.08069	11.0
159.11676	27.0
160.08797	2.3
161.09587	3.7
163.07545	20.7
163.11218	1.6
165.09087	2.1
168.09355	4.2
169.10146	2.4
170.10870	3.9
171.08047	7.2
172.08855	13.2
173.09634	26.9
173.13249	44.6
174.10086	1.3
175.07512	1.2
181.06482	1.7
183.11693	10.1
185.09715	1.3
185.13199	2.9
186.10416	21.7
187.07578	3.2
187.11177	100.0
188.11578	1.6
189.09109	3.3
191.07016	27.8
193.10109	1.2
196.08871	6.8
199.07515	2.6
201.12733	70.5
203.14337	1.3
205.12250	8.5
211.11194	9.4
214.09850	4.1
219.13808	5.9
229.12233	74.9
230.12563	2.2
247.13284	67.6
248.13504	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	244.206
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33280	1.1
53.03926	1.4
55.05517	9.7
56.96561	1.9
58.00348	1.1
59.75798	1.1
65.03925	1.7
67.05504	33.7
69.06779	1.0
69.07068	11.7
70.33556	2.4
70.33971	3.8
79.05499	28.3
80.20895	1.2
81.07061	40.7
82.14870	1.1
83.08611	2.7
91.05483	43.6
93.07050	45.5
95.04941	2.3
95.08609	93.2
96.08139	2.0
97.10144	3.3
105.07033	98.0
107.08597	75.1
109.06536	1.2
109.10157	52.5
117.07062	1.8
119.08583	60.9
121.10147	43.0
123.11718	8.3
131.08575	2.4
133.10135	35.0
135.11693	9.8
145.10059	5.3
147.11693	100.0
159.11702	1.7
161.13249	18.5
175.14845	6.5
187.14836	4.2
203.17955	60.6
244.20618	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	245.0506
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96560	1.3
58.99852	0.5
60.20386	0.3
60.95841	0.6
61.00799	0.3
69.03412	0.4
70.22096	1.2
70.92255	0.3
73.49707	0.3
77.00893	0.7
77.53825	0.3
81.03389	0.4
82.99831	0.5
86.25716	0.3
97.02891	1.7
98.21405	0.4
98.97549	0.9
101.00870	4.3
102.96870	1.1
103.02414	0.4
105.00346	0.9
109.02920	0.3
113.00846	0.3
115.02358	0.4
116.98581	1.0
119.01913	26.3
120.01988	1.9
120.97895	1.6
121.01664	4.8
127.02404	0.5
127.03847	0.5
130.93214	0.4
131.01903	5.5
133.03406	1.4
134.99678	1.3
136.99632	0.4
137.01955	0.6
137.02953	8.9
138.03049	0.9
138.98900	1.3
139.02657	2.2
142.03439	1.1
143.00836	0.4
143.01886	5.9
145.03450	4.9
147.01344	0.6
147.05020	0.5
149.02940	1.1
149.06677	0.3
155.00742	0.6
155.01875	1.8
155.03549	0.3
156.99922	0.3
157.03465	5.5
160.04587	0.5
161.02953	28.2
162.03152	0.6
163.04504	1.0
167.01881	0.3
169.03401	0.7
171.05025	0.6
173.02960	5.3
174.91756	0.3
175.04527	4.7
177.00928	0.9
177.02518	0.3
177.09744	0.6
178.01059	1.2
179.00687	19.7
179.03941	2.1
179.05461	0.5
180.00847	0.7
183.04973	0.3
184.04572	1.4
185.02940	6.8
185.04556	0.5
187.04509	2.0
191.04005	1.8
196.01166	0.7
197.03008	3.5
197.06570	0.4
199.00916	0.6
199.04472	1.0
203.00700	0.9
203.02266	0.6
203.03986	6.8
207.51874	0.8
215.04013	2.4
217.01929	0.5
217.05505	0.6
217.08946	0.3
219.01918	0.7
219.03880	2.8
220.02042	1.5
221.01752	23.7
221.05127	1.9
222.01924	1.9
226.05502	0.5
227.00610	2.4
227.04002	1.1
231.54721	0.3
233.05078	1.0
240.03043	0.5
244.03336	0.7
245.01859	5.1
245.05046	25.5
245.12105	1.9
246.05833	0.3
261.03006	0.9
262.04239	0.3
263.02872	100.0
263.05981	5.9
264.03036	1.7
264.06989	0.5
268.03625	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	244.0582
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77251	0.9
51.90136	0.9
56.96570	5.4
57.03423	4.4
61.02906	3.2
65.87769	0.9
69.03433	6.4
70.06579	4.9
71.05016	2.0
71.59147	1.8
72.08141	4.3
73.02908	7.2
81.03389	1.9
81.78330	1.1
84.04501	1.7
84.08122	3.5
84.96011	1.4
85.02895	10.9
87.04447	1.5
91.05458	3.3
95.02439	2.5
97.02895	6.1
98.97578	4.3
101.00877	1.7
103.02396	0.9
109.02870	1.5
110.01291	1.4
112.05084	100.0
112.99147	1.4
116.07082	2.1
116.98604	2.5
118.02824	1.4
119.01901	3.4
119.04893	2.7
121.06493	1.8
125.04408	1.5
126.02475	1.0
127.03919	2.3
128.98613	1.4
129.10294	1.0
131.00150	3.0
131.01880	1.9
133.03450	2.6
137.05927	1.5
143.01907	1.1
145.01755	1.0
145.03381	1.0
145.05014	1.4
146.99559	1.1
147.05008	2.3
148.06529	4.4
149.01173	2.6
154.03841	1.2
155.01831	2.1
156.03630	1.3
158.99690	1.2
159.05020	1.7
161.02931	1.5
163.02852	1.9
163.04391	4.2
163.07204	5.8
169.04463	1.9
171.05005	3.8
172.05087	1.0
173.02968	3.2
174.03154	1.2
175.02803	1.5
176.06075	3.2
177.00629	1.0
178.05003	6.2
178.99760	0.9
185.06740	1.5
187.04387	1.0
189.06088	1.0
195.07149	1.2
211.04922	1.7
219.07063	1.7
221.04959	2.1
226.11859	1.1
235.06563	1.7
237.02769	1.2
239.06001	1.8
244.05544	6.8
244.09303	2.6
244.11647	1.2
244.16455	2.3
245.05183	1.5
249.08218	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	244.0929
Annotation	Cytidine
Peak:m/z	Relative Intensity
53.03948	0.3
55.01878	1.4
55.05516	1.4
56.05028	0.6
56.96564	29.2
57.03433	6.6
58.03784	0.3
58.06583	0.2
59.05000	0.7
60.04515	0.7
60.95846	0.8
61.02924	4.3
67.05509	0.5
69.03070	0.4
69.03429	5.8
69.04538	0.7
69.91526	1.0
69.91954	0.5
70.02953	0.6
70.03751	0.4
70.06239	0.4
70.06590	4.1
70.98116	0.6
71.01351	0.7
71.04987	2.8
71.95258	1.7
72.08154	4.3
72.96030	0.8
73.02917	13.1
74.02430	0.4
74.03246	0.5
74.06075	0.8
74.97606	1.0
75.04480	0.3
77.00837	0.3
79.05474	0.4
81.03410	2.2
82.06579	0.9
83.00795	0.3
83.01307	0.3
83.04533	0.2
83.04992	1.2
83.06084	0.3
84.04507	2.0
84.08147	4.0
84.96032	2.5
85.02900	9.2
85.06540	0.3
86.03221	0.5
86.06038	0.3
86.09712	1.5
87.04462	1.9
88.04025	0.3
88.47555	0.2
88.99164	0.6
90.01552	0.5
91.03949	1.0
91.05475	5.9
92.05791	0.4
93.07033	0.4
94.04071	0.3
95.02451	1.9
95.04973	0.6
96.00870	0.4
96.01530	0.3
97.02357	0.4
97.02886	9.3
97.96813	0.3
97.99149	0.3
98.03170	0.7
98.06049	0.5
98.09698	0.3
98.97580	10.8
99.02065	0.3
99.04425	1.3
100.99166	0.5
101.00871	0.5
101.07125	0.4
102.01555	0.5
102.05535	0.3
102.96944	0.5
103.02447	0.2
103.05463	0.3
104.01280	0.9
105.02065	0.5
105.07012	0.3
106.02827	0.6
107.04954	1.6
109.02874	1.5
109.06539	0.3
109.07587	0.3
110.01304	0.3
110.09695	0.3
110.97558	1.3
111.04434	0.4
112.05087	100.0
112.99138	1.8
113.02364	0.4
113.03490	6.1
113.05405	0.4
115.00639	0.3
115.02340	1.9
115.03186	0.5
115.03949	1.1
115.08687	0.7
116.00207	0.5
116.07094	1.7
116.98621	11.2
118.02840	0.7
119.00134	0.4
119.01903	4.2
119.03643	0.4
119.04928	3.5
120.01994	0.4
120.05251	0.5
120.97913	0.3
121.06512	1.1
122.06857	0.4
123.02040	0.3
123.05515	0.3
124.02815	0.7
124.95499	0.6
124.99121	0.3
125.03627	0.6
125.04557	0.3
126.02527	0.8
127.00703	0.3
127.02482	0.3
127.03956	3.3
127.08637	0.3
128.02327	1.0
128.98605	4.0
129.10216	1.5
130.01863	0.5
130.04970	0.9
131.00180	4.5
131.01889	1.1
131.03625	0.3
133.01631	0.5
133.03394	1.6
133.04999	0.7
134.01297	0.6
134.03087	0.9
134.99660	10.8
135.03114	0.6
135.04367	0.5
136.00012	0.2
136.02805	0.4
136.06256	0.4
137.02953	1.2
137.05989	3.6
138.06409	0.4
138.33363	0.2
140.00128	0.3
140.02257	0.4
140.98640	0.4
141.03027	0.4
141.04828	0.5
142.03720	0.4
142.96500	1.5
143.00145	1.6
143.01871	0.6
144.98126	0.3
145.01721	1.0
145.03494	0.9
145.04973	0.9
146.02252	0.3
146.99651	5.9
147.01404	0.4
147.03134	1.2
147.05002	0.3
148.02800	1.0
148.03906	0.8
148.54048	0.6
149.01219	5.4
149.02948	0.6
149.98540	0.3
150.01762	0.5
150.03543	0.6
150.99055	0.4
151.06342	0.3
152.02319	0.9
152.05725	2.3
152.06944	0.4
153.00677	1.9
153.05699	0.6
153.55869	1.2
154.01797	0.3
154.03883	1.1
154.05740	1.1
154.54207	0.3
155.01945	0.8
155.04660	0.3
156.03650	0.4
157.03442	0.6
157.04527	0.4
157.54544	0.3
158.01237	1.0
158.02370	0.4
158.08148	0.9
158.99702	2.2
159.03288	0.4
159.05035	0.4
160.02832	0.8
160.97539	2.8
161.01224	3.5
161.02946	2.8
161.04601	0.5
162.03601	0.3
162.05388	0.5
162.56419	0.9
162.99115	1.0
163.02846	2.3
163.04424	5.4
163.06172	1.1
163.07253	0.8
163.53273	0.3
163.54678	0.5
163.56078	0.3
165.00731	2.0
166.06108	0.8
167.02850	1.4
168.05066	0.3
169.01843	0.5
169.03102	1.9
169.04588	2.3
169.53374	0.5
169.54672	0.5
170.05205	1.1
170.96074	0.7
170.99643	1.5
172.02815	0.7
172.04872	0.9
173.01259	1.1
173.02919	1.2
174.55174	0.5
174.99126	0.8
175.02817	1.1
175.04568	0.7
176.02071	0.4
176.03487	2.7
176.53577	0.4
177.00714	3.1
177.02184	0.4
177.04329	0.5
177.05914	0.3
178.03859	2.3
178.04958	13.8
178.55161	3.5
178.98674	0.5
179.02313	0.6
179.05141	0.4
180.04637	0.3
181.00175	0.3
181.03868	0.7
181.55925	0.6
182.03387	0.4
184.02989	0.3
184.04626	0.3
184.07205	0.5
184.97606	0.8
185.01221	0.5
185.02713	0.5
185.04089	0.4
187.00291	1.2
187.02797	1.2
187.04510	0.9
187.54268	0.5
188.97066	10.1
189.00714	2.9
189.55861	2.5
190.05908	0.5
190.98544	0.3
191.00183	0.4
191.02271	0.8
191.03874	0.5
193.00291	1.7
193.01553	1.5
193.03799	1.0
194.03258	0.5
195.01764	0.4
195.03352	1.0
197.03113	0.4
198.04419	0.7
200.12135	0.4
201.00703	1.2
202.03850	0.8
202.05576	0.4
202.98598	3.0
203.00362	0.5
203.02287	1.1
203.04012	1.1
205.01414	1.5
205.03770	0.6
206.98125	9.0
207.01775	1.0
207.05122	0.4
207.55594	0.3
208.04971	0.4
209.01253	0.7
211.02821	3.5
211.04951	0.7
211.98660	2.3
212.02570	0.3
213.04343	3.6
215.04016	0.4
216.05530	0.7
216.07352	0.3
219.01717	3.0
220.02052	0.7
220.99614	2.8
221.03235	0.8
221.05119	1.1
223.04573	0.6
224.99210	1.1
226.00221	0.5
226.05139	0.6
227.13893	0.3
229.01460	0.4
229.03711	0.3
229.99852	0.8
230.98151	0.5
231.01949	0.5
231.05402	0.7
232.04744	0.6
232.06993	0.4
232.99652	0.3
235.02829	0.8
235.06802	1.4
235.56744	0.4
236.06119	0.4
237.02829	5.1
238.03197	0.3
239.02309	7.4
239.06071	0.4
243.58351	0.6
244.04843	0.9
244.06976	2.7
244.09216	2.6
244.13268	0.3
244.16579	2.0
244.57236	1.2
245.05132	2.8
245.07330	0.3
245.11353	0.5
247.02702	0.6
248.99179	0.7
253.03787	0.7
255.04007	0.6
257.03302	5.9
260.04541	0.3
262.03812	0.7
262.06064	1.0
263.00986	0.3
263.06247	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1016
Annotation	Mansonon D
Peak:m/z	Relative Intensity
53.03936	1.0
55.01855	2.4
55.05495	1.8
57.07066	1.7
61.61954	0.6
64.20387	0.6
66.37219	0.6
67.05506	0.8
69.28809	8.2
79.05492	11.9
80.06252	0.9
91.05460	1.5
93.07077	1.1
95.04950	2.8
103.05449	1.6
107.04948	2.3
115.05450	1.8
117.07004	2.5
128.06221	2.2
129.07022	2.4
131.04955	3.5
131.08575	1.4
141.06972	7.7
143.08572	1.1
144.05695	1.0
145.06496	5.7
145.10109	0.9
147.04378	3.2
149.05978	0.7
152.06198	1.7
153.06912	3.9
154.07782	4.7
155.04895	2.9
155.08574	4.3
156.09221	0.8
157.06487	4.4
158.07234	1.5
159.04404	2.6
165.07014	5.5
166.07727	2.1
167.08531	3.2
168.05696	2.6
169.06488	6.2
169.10097	7.8
170.07222	1.7
171.08022	2.5
173.05969	7.7
173.09663	2.1
177.05490	7.0
178.07765	2.1
179.08542	14.8
181.06467	6.4
182.07253	8.1
183.04404	4.2
183.08063	9.0
184.05179	3.3
184.08791	1.6
196.05226	2.0
197.06015	8.7
197.07761	1.3
197.09624	17.3
198.10242	0.9
199.11183	1.4
201.05464	100.0
201.09178	2.7
202.05826	2.2
207.08031	7.1
209.05981	0.7
210.06752	9.2
215.07001	3.0
220.98230	0.8
225.09099	36.9
228.07729	0.8
243.10168	62.7
243.19528	1.2
243.28732	1.3
244.10567	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1015
Annotation	Fenoprofen
Peak:m/z	Relative Intensity
51.77143	1.0
53.03933	2.0
55.01853	4.5
55.05504	2.3
56.96332	1.4
56.96568	15.7
58.21704	1.1
60.98203	1.1
66.37791	1.1
67.05491	1.7
70.50998	2.4
70.51394	1.9
79.05062	1.7
79.05490	25.2
80.06266	3.6
81.07057	2.4
88.07614	6.2
89.07964	2.6
91.05487	2.5
93.07042	2.0
95.04957	4.7
95.08589	2.6
97.69861	1.1
103.05474	1.7
105.07014	3.1
107.04949	5.0
109.10143	3.4
119.04910	2.2
121.06489	1.5
124.69714	1.2
128.06242	1.6
129.07019	2.6
131.04904	3.8
141.06975	10.2
143.08574	1.3
145.06456	2.6
147.04393	13.7
149.05957	3.1
152.06232	2.2
153.07002	6.8
154.07755	10.3
155.04848	1.2
155.08528	5.1
157.06496	8.4
158.07292	2.0
159.04402	3.4
161.75331	1.2
165.06976	7.9
166.07782	2.9
167.08589	8.9
168.05673	3.4
169.01770	2.0
169.06461	6.3
169.10110	11.3
171.07930	1.4
173.05997	2.7
173.09564	1.3
177.05455	4.9
178.07741	7.9
179.08546	34.2
181.06461	14.0
182.07259	18.9
183.04420	3.2
183.08046	14.0
184.05193	4.3
184.08839	1.7
187.02805	2.6
189.06996	2.2
192.10948	1.0
195.03352	3.1
195.08296	1.0
196.05103	1.6
197.05968	14.8
197.09627	42.5
199.11249	4.4
201.05444	7.9
201.09201	2.1
206.07188	1.4
207.08011	15.8
209.01231	1.5
209.06067	1.3
210.06763	21.0
211.02795	3.5
211.07416	1.4
213.04308	11.2
215.07065	1.8
225.09096	100.0
226.09508	1.6
228.07860	1.7
231.05273	1.1
236.05966	1.7
239.02228	11.6
243.10182	87.6
243.25133	4.6
248.23172	1.2
257.03348	9.4
258.73016	1.1
262.03790	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	243.0863
Annotation	2,3-Dihydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-1-propanone
Peak:m/z	Relative Intensity
50.55061	1.3
51.02382	1.3
53.03942	1.3
55.01858	2.5
57.03429	2.9
61.02922	13.1
65.03934	6.4
67.05493	4.0
69.03427	5.8
71.04987	3.0
71.07737	1.5
71.08090	3.6
73.02917	4.3
79.05499	6.3
81.03410	2.3
81.07059	4.2
82.04181	2.3
85.02905	8.2
91.05483	20.1
95.04960	14.0
97.02901	3.0
97.06516	3.0
98.97607	3.2
105.03390	2.3
107.04956	9.0
108.02086	1.6
109.06512	15.5
110.03660	3.7
111.04453	4.4
116.98661	2.0
119.04954	10.0
121.06520	3.2
123.04424	16.8
125.02335	5.7
125.06030	2.6
133.02840	12.9
135.04396	4.3
137.05984	23.9
138.03117	2.7
140.04683	95.7
142.02562	1.5
147.04402	8.4
151.07532	1.9
152.04732	2.5
153.05498	2.6
155.07027	100.0
158.99635	1.6
165.05470	22.4
167.07059	3.0
171.06532	5.6
173.06647	2.1
173.08040	12.3
179.07040	12.9
180.04199	17.6
181.04961	74.4
183.06523	4.8
184.03680	2.1
193.04958	29.9
195.06519	11.7
196.07643	1.3
197.06227	2.6
197.08092	9.8
207.06538	29.9
215.07124	2.0
219.01741	1.9
225.07571	26.3
231.05215	3.0
243.06526	1.5
243.08617	22.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1015
Annotation	Mansonon D
Peak:m/z	Relative Intensity
55.01845	0.9
69.48866	0.6
71.61405	1.3
79.05469	3.4
79.88306	0.7
88.86789	0.6
91.05511	0.8
94.50088	0.6
103.05448	0.7
115.05441	1.9
117.06993	1.0
127.05524	0.6
128.06206	1.5
129.07007	0.7
131.04901	1.1
141.06963	2.5
145.06474	3.3
147.04402	2.1
153.06958	1.8
154.07776	1.5
155.04892	2.1
155.08542	1.8
157.06467	2.0
159.04362	0.8
165.06998	2.4
167.08575	1.6
169.06509	2.3
169.10124	3.0
171.04517	1.1
173.05992	8.4
178.07813	0.9
179.08533	8.7
181.06476	2.2
182.07318	3.8
183.04411	5.2
183.08009	5.7
184.05266	0.8
197.05927	3.7
197.09561	7.9
199.11140	1.1
201.05458	100.0
202.05820	1.9
207.07997	4.6
210.06732	3.5
215.07059	0.9
225.09097	28.0
226.09352	1.1
243.10159	27.6
243.28658	0.8
244.10504	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.087
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	6.0
56.96558	2.7
57.03432	14.4
58.06596	3.1
59.06897	1.2
61.02927	3.8
69.03418	1.4
69.91294	6.5
70.06607	1.4
71.01336	5.8
71.04984	3.8
73.02918	6.9
75.84237	1.2
81.03378	1.2
83.01328	2.2
85.02892	3.4
85.08476	1.8
87.04472	8.7
89.02402	8.4
97.02879	1.7
98.97583	1.9
101.02377	20.0
103.03956	2.5
111.00795	1.6
113.02348	1.3
115.03922	38.5
129.01833	25.8
133.03430	1.9
133.04959	3.8
143.03395	19.3
146.99605	1.3
147.02878	1.5
157.01329	37.3
161.04419	21.5
161.05544	1.7
171.02945	4.5
175.02383	3.1
189.03935	100.0
196.01030	1.8
197.09984	1.5
207.04980	8.6
224.07518	2.5
242.10103	4.0
242.15787	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	242.0997
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05027	0.8
56.96555	1.3
57.03418	0.5
68.05025	1.0
69.03422	1.6
69.07038	0.8
71.04991	0.6
71.61480	0.5
83.06099	1.4
84.04494	0.9
84.08141	0.7
85.02886	1.4
86.09737	0.8
91.05451	0.8
93.07063	0.5
95.08614	0.6
97.02875	1.1
98.97571	1.9
111.05534	0.5
112.03710	5.1
116.98605	1.7
119.01888	0.5
123.40165	0.5
134.99634	0.9
137.05913	0.9
138.46619	0.5
146.99669	0.7
153.05200	5.3
158.99713	0.5
177.00737	0.8
194.07777	0.6
201.06345	0.5
214.68657	0.5
221.59177	0.6
224.08902	6.3
237.02713	3.0
238.08385	0.5
242.09975	100.0
242.14981	2.4
255.88219	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.1387
Annotation	Parvistemoamide
Peak:m/z	Relative Intensity
51.77797	0.6
53.03941	1.4
55.01874	3.9
55.05510	17.5
56.05032	1.4
56.96552	1.0
57.03430	1.1
59.04984	1.1
65.03933	0.7
67.04249	0.9
67.05504	10.9
67.36049	0.7
68.05013	1.4
69.03440	1.0
69.07069	3.4
69.35585	0.6
70.02947	4.4
70.59866	2.0
71.04982	1.6
72.04514	100.0
79.05491	16.5
79.05959	0.8
80.05010	6.8
81.07057	11.3
82.02951	3.6
82.06577	9.6
82.07366	0.7
83.04989	1.5
83.08616	5.0
84.04508	2.5
85.02918	1.0
85.06555	2.2
86.06101	0.7
91.05478	6.2
93.05770	1.1
93.07053	6.6
94.06566	1.4
95.04977	1.5
95.08605	5.4
96.04492	18.8
96.08123	1.0
97.10178	3.7
98.06087	0.9
98.97588	0.7
105.07042	3.6
107.04967	1.3
107.08593	6.0
108.04473	7.7
109.05274	1.2
109.06535	1.1
109.10144	0.8
110.02405	1.3
110.06046	5.8
116.98662	1.4
117.07056	1.8
118.06577	0.9
119.08633	1.3
120.08073	1.2
122.06038	2.9
122.09724	1.2
123.08074	1.0
124.11226	4.9
125.09650	1.0
126.05534	1.1
132.08128	1.8
132.59256	0.6
133.10164	1.5
134.09598	0.8
135.08064	2.0
136.07582	1.1
136.11160	1.0
150.09184	0.8
150.12820	1.7
160.11275	2.3
171.65285	0.6
178.12282	9.7
188.10768	2.3
196.13383	1.0
206.11836	2.4
224.12816	6.2
242.09531	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0651
Annotation	2,4,5,6-Tetrahydroxyphenanthrene
Peak:m/z	Relative Intensity
55.01877	1.3
58.91947	0.4
65.03934	2.7
68.75833	0.3
68.99786	4.3
69.03424	0.6
69.07066	0.4
69.48008	0.7
69.48413	2.8
71.01337	0.3
79.05462	0.3
81.03413	0.8
81.07079	0.6
84.04537	0.3
84.96040	0.4
86.09705	0.4
91.05482	1.4
94.04190	0.4
95.04974	0.6
95.08621	0.4
97.06506	0.5
98.97559	0.8
103.46166	0.3
105.07018	0.5
107.04272	0.6
107.04960	6.4
107.08608	0.4
109.06492	0.4
109.10134	0.5
111.04452	0.6
115.05437	1.1
115.67490	0.3
116.98606	0.4
117.07004	0.8
119.04887	0.5
119.08547	1.1
121.02864	18.7
121.10093	0.6
123.08060	0.6
129.07027	0.5
131.04936	1.7
131.08563	1.4
133.06497	0.5
137.09689	0.3
141.06985	5.9
144.05661	0.8
145.06471	2.1
147.04387	3.4
147.08069	3.3
149.02339	100.0
149.09613	0.6
150.02765	0.5
157.06493	0.5
159.08040	1.6
161.05951	0.5
163.11238	0.4
167.03395	1.1
169.05022	0.5
169.06491	9.6
172.08691	0.6
173.06018	2.0
177.00819	0.5
181.04768	0.4
181.12128	0.5
185.05997	1.0
187.07506	2.2
189.12769	0.3
197.05986	10.5
198.06642	0.6
207.13843	0.8
213.05437	0.4
214.64055	0.3
215.07025	98.1
216.07404	1.1
225.05193	0.3
225.14828	0.4
243.06532	72.7
244.06926	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0863
Annotation	2,3-Dihydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-1-propanone
Peak:m/z	Relative Intensity
50.19325	1.1
50.37988	0.9
53.03933	2.0
53.78546	0.8
55.01880	2.0
56.96560	2.4
57.03419	3.6
61.02922	12.8
65.03934	8.0
67.05486	3.8
69.03411	5.4
69.07054	1.2
70.06567	0.9
71.04983	2.6
71.57262	1.2
71.59480	0.9
72.93783	0.8
73.02605	0.8
73.02917	7.7
79.05490	6.2
81.03399	1.5
81.07053	6.4
82.04185	2.8
83.04971	1.3
84.08114	1.5
85.02897	8.5
86.09685	1.1
89.03894	1.0
90.94832	1.0
91.05479	23.1
93.03398	1.4
93.07044	2.1
94.04156	1.4
94.83880	0.8
95.04967	15.8
96.08029	0.9
97.02905	5.6
97.06516	2.0
98.97579	3.2
103.05460	1.1
105.03383	2.6
107.04949	12.1
108.02054	0.9
109.06512	15.5
110.03640	3.3
111.04438	3.1
116.98616	3.0
119.04949	8.7
119.08549	1.4
121.06474	3.7
122.03623	0.8
123.04427	17.0
125.00240	0.9
125.02339	5.8
125.05955	2.9
128.98586	2.1
129.03317	0.8
132.95854	0.9
133.02855	10.9
134.99677	1.3
135.04382	5.3
137.05968	25.9
138.03157	0.9
139.03897	1.2
140.04677	100.0
142.02612	1.8
146.03659	1.2
146.99684	1.6
147.04404	7.8
149.02356	1.0
149.05977	1.2
151.07509	1.5
151.19041	1.1
152.04652	2.7
153.05431	2.9
155.07022	97.1
158.99655	1.6
162.45799	0.8
163.03867	3.3
165.01865	1.0
165.05479	20.8
167.06975	1.8
171.06543	6.4
173.08107	12.3
176.98589	0.8
177.00620	1.6
178.03880	2.6
179.04639	1.2
179.07027	12.4
180.04167	16.7
181.04948	77.9
183.06490	3.4
193.04955	25.0
195.06526	11.3
197.06172	1.5
197.08067	11.7
207.04533	1.6
207.06512	27.1
207.13828	1.1
208.98909	1.7
215.07138	1.0
219.01585	1.1
222.04681	1.1
225.07549	25.0
231.05232	4.0
237.02840	1.6
242.56157	1.3
243.06480	2.3
243.08601	21.9
254.01149	1.0
263.00238	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1547
Annotation	Pirbuterol
Peak:m/z	Relative Intensity
55.05507	0.3
55.16691	0.2
56.58609	0.1
56.96557	1.1
57.03400	0.2
57.07068	0.2
58.06597	14.4
62.54419	0.2
69.03425	0.4
70.06593	2.2
71.04976	0.2
71.41754	0.3
72.08135	0.4
81.03399	0.4
84.08138	7.8
85.02892	0.4
85.06520	0.3
91.05463	0.5
95.08587	0.2
97.02888	0.3
98.01363	0.2
98.06033	0.3
98.09672	1.1
98.97583	1.5
100.11237	0.4
107.04954	0.2
110.07108	0.2
114.05492	0.4
115.02284	0.2
116.07078	0.5
116.98599	1.4
119.04922	0.2
126.05527	0.3
126.09128	0.4
128.10707	3.3
128.98491	0.2
134.99666	0.7
137.05911	0.3
138.06259	0.2
144.10179	1.2
147.04449	0.3
148.04805	0.2
151.07549	0.2
158.99646	0.3
168.10196	0.7
175.02750	0.2
177.00717	0.7
189.00664	0.1
196.09695	4.8
198.11302	0.2
200.02757	0.2
208.55057	0.6
210.01140	0.2
213.15933	0.3
217.05495	0.2
217.55579	0.9
218.05907	0.2
219.01807	0.5
237.02809	0.7
241.15454	100.0
242.15854	0.8
260.09692	0.2
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
55.01882	0.2
55.05497	0.2
56.96559	0.5
57.03425	0.2
58.06598	13.1
61.02913	0.4
69.03432	0.2
69.68259	0.4
69.68687	0.8
70.06593	2.2
71.04982	0.3
72.08136	0.4
73.02893	0.2
81.03415	0.6
84.08137	7.2
85.02902	0.5
85.06565	0.2
97.02887	0.4
98.06030	0.4
98.09689	1.1
98.97577	0.5
100.11259	0.5
109.02829	0.2
113.32596	0.2
114.05469	0.3
116.07055	0.3
116.10729	0.3
116.23922	0.2
116.98637	0.2
119.01817	0.3
119.04942	0.2
124.07584	0.2
126.05495	0.3
127.03904	0.4
127.79645	0.2
128.10704	3.3
128.98587	0.2
131.00108	0.3
133.03445	0.4
135.03061	0.2
143.94193	0.2
144.10211	0.9
152.04893	0.2
161.05537	0.5
168.10158	0.7
170.06039	0.4
177.00766	0.2
178.04977	0.3
188.05669	0.2
188.07408	0.2
196.07932	0.3
196.09692	4.8
213.16127	0.2
237.02892	0.4
241.15457	100.0
242.15817	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1434
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.9
55.01865	2.3
55.05259	0.9
55.05511	8.7
57.03420	2.2
57.07057	1.6
57.38712	0.7
62.32422	0.7
63.46473	0.9
65.03931	0.8
67.05503	11.5
69.03419	1.2
69.07077	5.4
70.53477	2.5
71.04989	2.1
73.02899	1.3
79.05489	14.6
81.03423	2.1
81.07055	13.2
83.01286	0.8
83.04950	2.2
83.08624	6.1
85.02874	0.9
85.06535	1.1
91.05473	5.0
93.03683	1.6
93.07038	25.6
95.04966	4.5
95.08601	26.7
97.02867	2.7
97.06528	2.9
98.20777	1.0
98.97567	1.7
99.04436	3.0
102.38245	0.8
105.07053	4.2
107.04950	6.1
107.08595	17.7
109.06504	1.0
109.10159	2.5
112.91071	0.8
116.98618	1.0
117.07023	5.5
119.08580	7.1
121.06547	5.5
121.10146	7.3
125.05977	2.7
131.08545	1.1
133.10107	1.6
134.99582	1.1
135.08057	1.9
135.11687	34.3
139.07497	1.2
145.06430	1.0
145.09029	1.6
145.10118	19.9
145.11276	1.2
147.04390	1.3
159.11700	0.9
163.11172	43.9
173.09637	1.0
177.00623	0.7
181.12230	9.8
209.11754	2.1
227.12776	100.0
231.26256	0.8
241.08665	2.3
241.14212	1.1
241.19611	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	240.0117
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08796	0.6
56.96564	3.8
70.76583	2.1
81.03400	0.7
98.97588	6.8
101.00912	0.6
116.98623	6.4
118.97910	0.6
118.99314	0.6
119.01908	5.2
120.95393	0.7
121.01678	1.0
124.99093	0.9
131.01878	0.7
134.99666	4.5
137.02925	1.1
138.96434	2.8
139.05054	0.6
142.03441	1.0
143.00166	3.9
145.03424	1.3
154.94077	0.8
156.97476	60.0
161.01215	3.6
161.02966	0.7
171.00578	1.2
172.95200	1.8
174.98538	100.0
175.98669	1.2
178.01015	1.0
179.02245	1.0
179.99066	6.2
180.97467	2.0
183.00723	0.8
185.01277	0.9
185.02864	0.7
190.96266	1.6
192.98676	0.7
196.01485	3.1
198.00156	12.6
198.02957	0.8
198.98535	35.1
202.40092	0.6
204.99564	0.8
207.52274	0.7
208.02069	0.8
210.01344	0.7
214.96437	1.4
215.96571	1.2
216.01176	7.1
216.96259	4.0
216.99599	99.6
217.99713	2.4
222.00102	4.1
222.94899	0.7
226.46805	1.1
230.94250	0.8
231.01872	2.9
234.52490	0.7
234.99788	1.7
237.00543	1.2
239.52487	0.9
239.97960	1.5
240.01204	4.6
243.00447	0.6
246.00856	0.7
251.53157	0.8
257.51578	0.8
257.97571	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.0496
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05049	1.1
56.96563	22.0
59.87649	0.9
70.29509	4.0
71.95248	2.7
93.03711	3.0
98.97579	87.4
116.98617	100.0
117.98951	1.1
119.01901	3.7
134.99654	91.9
135.98003	0.9
136.00131	1.1
137.02968	2.0
140.00169	3.0
141.62053	0.9
148.52707	0.8
153.00697	19.1
158.01239	9.2
158.02983	1.5
160.04533	1.3
164.37759	0.8
172.04568	1.2
172.92227	1.0
176.02299	2.6
176.04007	2.1
177.00800	8.6
178.01041	1.1
192.98802	1.2
195.01761	5.0
199.05731	1.3
200.04001	1.3
201.34779	1.0
201.95634	0.9
213.06093	1.4
216.98654	1.5
218.05060	1.5
218.94412	2.1
219.02025	8.9
220.02541	1.1
234.99779	2.1
235.99873	1.4
236.07715	1.5
236.95323	1.1
240.98700	1.9
241.21637	1.3
258.99765	30.3
259.99911	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.2005
Annotation	2,6,10-Trimethyl-3,6,11-dodecatriene-2,10-diol
Peak:m/z	Relative Intensity
54.11782	1.7
55.05511	14.9
55.48545	1.4
56.73673	1.5
57.03402	1.8
57.07067	5.6
59.05000	4.0
61.77320	1.4
67.05507	16.3
69.07066	20.6
70.88888	1.7
70.89247	4.7
71.04989	19.3
71.08645	1.9
73.06559	9.3
77.03895	1.5
79.05492	19.5
81.07056	45.4
83.04985	4.9
83.08640	8.4
85.06545	5.6
89.06014	2.8
91.05479	13.1
93.07042	42.3
94.79353	1.6
94.92416	1.5
95.04940	2.8
95.08604	58.6
97.06532	4.0
97.10168	10.4
99.08072	3.8
105.07027	54.0
107.04924	2.6
107.08591	62.2
109.10153	38.2
111.08086	2.4
111.11700	2.5
113.09639	2.8
117.07044	2.1
119.08576	37.6
121.10138	100.0
123.08036	2.6
123.11712	20.4
125.09674	4.8
133.10118	26.8
135.11678	10.7
137.09630	2.8
137.13219	3.8
139.11197	9.1
145.06491	3.8
147.11676	70.9
149.13257	12.3
151.11159	3.9
151.14856	2.3
161.13243	33.3
163.14816	44.1
165.12755	5.5
175.14857	5.5
177.16388	7.4
181.14427	1.6
203.17947	96.1
204.18205	2.5
221.15620	2.1
221.19006	56.9
239.06839	3.8
239.08951	7.5
239.10942	2.8
239.17818	2.5
239.20067	34.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.2004
Annotation	2,6,10-Trimethyl-3,6,11-dodecatriene-2,10-diol
Peak:m/z	Relative Intensity
55.05508	32.6
57.03435	4.4
57.07070	18.7
59.04997	27.9
67.05502	18.6
69.03414	3.3
69.07063	56.8
71.04984	12.1
71.08624	5.5
71.62279	2.1
71.62675	3.8
79.05491	9.1
81.07053	85.7
83.04995	5.0
83.08623	26.9
83.23602	2.1
85.06535	16.8
87.08102	4.4
89.06042	5.1
91.05464	10.2
93.07044	24.2
94.18920	2.0
95.04954	4.6
95.08603	100.0
97.06541	11.1
97.10162	24.1
99.04482	2.4
99.08092	7.3
105.07027	26.1
107.08585	40.7
109.06512	6.1
109.10149	53.2
111.08036	11.6
111.11703	22.0
113.09616	2.8
115.07564	6.2
119.08575	29.0
121.10126	36.6
121.10923	3.4
123.08054	4.0
123.11706	40.0
125.09637	16.3
131.08647	2.5
133.08586	3.8
133.10144	28.7
135.11682	38.9
137.05989	2.3
137.09625	4.4
137.13246	78.5
139.11182	29.5
143.10646	10.5
145.06551	2.6
147.04388	2.8
147.11687	30.9
149.13246	17.7
151.11179	11.3
151.14819	2.4
152.75244	1.9
153.12764	4.2
157.12215	6.9
159.11670	2.6
161.13261	20.8
163.14816	29.6
163.16086	3.0
165.12761	6.1
175.14830	8.8
176.99547	2.2
177.16364	9.6
179.14461	2.5
190.31876	2.0
193.19498	10.5
203.17958	67.5
211.07570	2.1
219.63432	1.9
221.11710	2.8
221.15559	3.6
221.18997	78.4
239.06915	4.1
239.08920	25.4
239.10950	2.3
239.18100	2.3
239.20049	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	239.2005
Annotation	2,6,10-Trimethyl-3,6,11-dodecatriene-2,10-diol
Peak:m/z	Relative Intensity
50.82018	3.4
53.92469	3.7
55.01862	4.8
55.05510	31.6
57.03427	3.8
57.07071	21.8
59.05003	25.2
62.04574	3.4
67.05491	25.6
69.03429	5.5
69.07059	49.7
71.04969	16.7
71.08626	6.9
71.59774	6.2
79.05493	17.5
81.06584	5.5
81.07053	100.0
83.04972	12.3
83.08608	28.1
85.06533	7.2
89.05999	5.8
91.05470	11.6
93.07050	30.3
95.04963	4.8
95.08600	93.8
97.06502	12.7
97.10185	18.2
99.04485	3.9
99.08072	4.6
105.07043	23.6
107.04943	18.4
107.08598	50.8
109.10147	59.4
111.08068	10.5
111.11687	13.5
113.09620	4.3
115.07591	5.1
119.08586	28.3
121.06507	3.8
121.10139	50.5
123.11706	43.6
125.09612	10.5
133.10109	29.1
134.90730	3.5
135.11670	34.3
137.09589	9.7
137.13240	61.8
139.07585	5.6
139.11192	22.0
143.10645	8.8
145.06468	10.7
145.10139	4.5
147.11697	33.0
149.13232	13.0
151.07445	3.6
151.11188	10.3
153.12770	6.2
157.12206	8.0
161.13264	15.9
163.14813	30.5
165.12817	5.3
177.16347	14.2
183.08041	5.2
189.05417	6.3
193.19505	5.3
195.07724	4.4
203.10620	4.1
203.17949	69.8
211.07541	9.8
221.15347	7.0
221.18982	78.1
228.90392	3.9
239.06924	15.1
239.08681	21.2
239.10698	14.5
239.16270	6.4
239.18126	5.6
239.20055	45.0
240.07382	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	239.2004
Annotation	2,6,10-Trimethyl-3,6,11-dodecatriene-2,10-diol
Peak:m/z	Relative Intensity
55.01842	5.8
55.05502	22.5
56.96557	15.3
57.03431	7.2
57.07053	23.1
58.91137	5.6
67.05497	36.6
69.07073	28.1
71.04981	19.3
71.59536	11.3
79.05482	23.3
79.45046	5.4
81.07056	54.1
83.04951	6.3
83.08625	16.9
83.09137	5.3
85.06551	12.3
89.06023	16.3
91.05494	25.7
93.07029	35.9
95.08604	100.0
97.10175	17.9
99.08051	8.0
105.07027	39.9
107.08591	41.8
109.02889	7.7
109.06525	7.5
109.10162	58.9
111.04404	7.5
119.04945	18.0
119.08588	32.4
121.10136	37.2
123.08042	9.4
123.11687	18.7
125.09628	8.0
133.08630	6.3
133.10144	40.7
134.10948	8.7
135.11707	12.6
141.07018	11.7
145.10103	9.6
147.04416	40.0
147.11690	38.4
149.13235	13.3
155.08554	10.6
157.10062	9.8
161.09686	10.7
161.13232	17.5
163.03897	10.9
163.14830	11.5
165.00316	6.0
169.10118	9.3
171.11627	12.5
175.14780	5.8
177.16412	13.5
177.70010	5.9
179.10677	10.8
183.11664	9.9
197.13293	14.0
203.17963	67.5
206.77721	6.1
209.03156	7.2
210.01498	7.3
210.92265	7.1
211.07538	7.2
221.15364	11.3
221.19009	91.8
239.07025	11.9
239.08925	68.9
239.14381	10.0
239.17972	60.5
239.20056	12.3
240.09329	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.2005
Annotation	2,6,10-Trimethyl-3,6,11-dodecatriene-2,10-diol
Peak:m/z	Relative Intensity
55.01863	5.4
55.05508	9.1
56.96558	4.9
57.07078	10.1
59.04990	6.6
67.05498	25.4
68.43192	1.5
69.07066	21.9
70.47804	6.7
71.04992	9.5
71.08636	3.4
79.01765	1.7
79.05495	9.3
81.03404	3.1
81.07056	42.0
83.04985	8.2
83.08625	6.9
85.06543	4.9
89.06015	3.6
91.05470	14.6
93.07046	21.8
95.04962	3.8
95.08601	87.2
97.06555	3.7
97.10184	5.8
99.04467	1.8
99.08091	3.2
101.06030	3.2
105.06312	2.6
105.07021	40.1
107.08595	36.6
109.06509	4.9
109.10151	37.6
111.08103	3.1
114.47994	1.8
119.04939	8.8
119.08564	34.3
121.10128	29.3
121.10925	3.0
123.08012	3.2
123.11707	22.4
125.09550	4.2
133.08591	4.5
133.10129	22.4
134.99635	2.1
135.11682	12.0
137.09637	4.5
137.13321	2.0
145.10135	3.1
147.04395	19.9
147.11685	56.1
149.13280	9.0
151.11183	5.0
156.25407	1.8
157.06468	13.5
161.09709	2.3
161.13257	21.8
163.14859	18.7
165.12755	6.7
171.08025	2.2
175.14871	3.8
177.16367	26.8
183.08099	5.5
203.16040	4.9
203.17941	100.0
210.92220	2.6
221.15529	3.4
221.18990	40.1
227.58263	1.8
239.02295	2.6
239.06961	2.9
239.08928	31.1
239.14330	7.0
239.18103	2.4
239.20059	21.2
240.06705	3.0
241.05855	2.0
257.03195	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	237.1849
Annotation	Atlantolone
Peak:m/z	Relative Intensity
53.03939	2.7
55.01883	2.2
55.05259	2.5
55.05510	35.1
56.96560	5.5
57.07069	4.0
59.05000	13.7
64.72260	1.6
67.05505	13.4
69.03418	2.4
69.07064	16.5
70.06589	1.5
70.20226	5.7
71.04993	16.9
71.08616	2.2
77.03913	1.7
79.05485	12.7
79.11496	1.6
81.03415	2.2
81.07058	54.0
83.04982	42.6
83.08623	4.0
85.02907	1.7
85.06541	9.3
89.42638	1.4
91.05487	14.5
93.07044	35.5
95.04945	5.4
95.08606	26.5
97.06499	7.4
99.04457	51.5
99.05102	2.5
99.08103	6.9
100.92536	1.6
101.06017	100.0
103.05469	1.8
105.07032	41.4
107.08583	15.7
109.06523	3.3
109.10154	23.4
111.04481	1.6
111.08056	7.0
117.07044	4.3
119.08579	55.1
121.06537	3.9
121.10143	74.7
123.08038	5.1
123.11712	9.9
125.09634	6.2
127.07565	2.3
127.11162	4.0
129.07037	1.9
129.24065	1.6
131.04985	2.0
131.08525	7.6
133.10138	16.5
135.07976	2.0
135.11702	7.2
137.09612	1.9
137.13237	12.0
139.11168	3.3
143.08559	1.4
144.05731	4.5
145.10129	18.6
147.04375	2.8
147.11664	3.3
149.09654	2.5
149.13286	7.7
151.11180	7.0
159.11694	39.8
161.13260	66.7
163.11215	3.9
173.13264	4.7
174.06798	2.1
175.14789	3.9
177.03709	3.8
177.05237	1.7
177.12727	3.0
177.16371	3.2
178.15900	2.0
179.14359	1.8
184.09335	1.7
189.05473	5.4
193.03218	3.2
194.07277	2.5
201.16374	41.7
204.07846	7.5
205.03152	5.0
219.10040	2.0
219.14081	1.8
219.17438	18.3
219.20979	2.6
236.20073	1.6
237.05659	4.2
237.09329	3.0
237.11060	1.5
237.14864	5.3
237.18457	26.0
237.22015	9.5
248.21234	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.1277
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.0
54.26310	1.9
55.01859	8.2
55.05512	19.3
55.44621	1.7
57.03420	4.9
57.07070	4.9
59.04992	1.7
61.02938	10.7
62.83355	1.9
67.05502	18.9
69.03423	14.1
69.07038	5.4
69.82088	3.7
69.82505	6.8
71.01347	3.8
71.04996	9.3
73.02941	4.0
79.05505	16.3
81.03400	8.9
81.07051	17.8
83.04994	10.0
83.08617	5.2
85.02905	10.7
85.06541	8.5
87.04453	5.2
89.05994	3.2
91.05473	32.0
93.07047	36.5
95.01331	2.0
95.04975	10.9
95.08611	37.2
97.02876	7.2
97.06527	4.2
99.04434	6.3
101.06017	2.0
103.03933	12.4
103.05451	3.2
105.07030	71.5
107.04950	6.9
107.08586	27.7
109.06510	8.1
109.10160	11.5
111.04430	9.6
111.08096	3.6
115.03931	6.9
115.05422	4.8
117.07023	12.5
117.07719	2.1
117.64656	1.7
119.04951	1.8
119.07795	2.9
119.08586	42.2
121.06485	7.0
121.10122	7.5
121.71315	1.7
123.04385	2.7
123.08057	8.5
125.05982	2.0
128.06224	22.2
129.05487	3.9
129.06992	16.0
131.08566	58.0
133.06509	4.2
133.10138	20.5
135.08055	36.5
135.11684	3.8
137.09631	10.5
137.13368	2.5
141.06947	4.5
142.07794	16.4
143.08560	66.7
145.06509	4.3
145.10129	13.5
147.08047	20.0
147.11656	5.5
149.09599	9.2
151.11142	4.4
153.09103	5.9
155.08522	4.2
157.10092	23.4
159.08035	10.8
159.10022	2.0
161.09625	28.9
163.07576	2.1
165.06978	2.5
165.09068	3.6
167.08572	20.4
173.09662	5.3
175.11177	10.9
179.10721	12.6
183.10182	2.5
184.62630	2.6
185.09657	16.0
185.61084	1.9
191.10696	4.8
193.12215	5.5
194.61697	2.1
195.09880	2.5
203.10704	17.7
216.14993	3.4
220.65016	25.7
221.11778	22.2
221.15010	16.8
221.64911	3.0
229.65611	25.9
230.15395	11.8
230.65692	3.6
238.66139	100.0
239.06882	4.3
239.08951	7.1
239.10863	3.3
239.12784	34.9
239.16063	58.2
239.66072	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	237.1847
Annotation	Godotol A
Peak:m/z	Relative Intensity
51.88121	1.1
53.03936	2.6
55.01870	1.6
55.05515	9.0
56.96547	2.0
57.03418	1.3
57.07057	4.6
57.34595	1.3
59.04997	6.8
65.03928	1.2
67.05499	16.6
67.44373	1.0
69.03434	5.9
69.07066	8.2
71.04988	20.7
71.62212	2.1
74.09650	1.1
79.05487	13.5
81.03416	1.9
81.07052	78.2
83.04973	4.3
83.08598	4.6
85.02876	2.2
85.06541	5.6
87.04426	1.2
88.20020	1.4
91.05471	21.0
93.07040	100.0
95.04955	6.8
95.08604	34.5
97.06503	5.9
97.10152	2.0
97.35638	1.1
98.97575	3.7
99.08091	7.2
103.05433	3.9
103.07551	1.1
105.07023	39.9
107.04954	3.1
107.08580	21.9
109.06536	6.9
109.10152	19.2
111.08038	2.9
113.06001	4.5
113.09638	2.5
115.05425	2.2
115.07556	4.2
116.98594	2.8
117.07004	4.9
118.02874	1.4
119.04950	2.4
119.08572	18.9
120.05757	1.6
121.06495	6.3
121.10128	14.4
123.08057	4.2
123.11703	46.3
125.05934	1.4
125.09623	4.5
127.07528	2.7
127.11184	5.4
128.06181	2.3
129.07013	3.7
131.04924	4.5
131.08574	10.0
132.39197	1.2
133.10127	49.6
134.99673	2.0
135.04420	1.8
135.08041	8.7
135.11685	13.0
137.05991	2.2
137.09593	2.6
139.11212	2.4
141.07036	1.5
143.10652	2.1
145.06471	2.2
145.10121	14.1
146.05975	6.8
146.07237	3.5
147.04424	2.6
147.08080	1.9
147.11684	14.1
148.05173	4.5
149.09604	3.3
149.13220	5.9
151.07599	1.4
151.09958	1.9
151.11171	34.4
154.03848	2.4
155.10686	2.2
158.07275	5.7
159.08006	3.6
159.11671	11.6
161.05997	11.7
161.09608	10.0
161.13252	7.4
163.02751	1.3
163.04405	1.7
163.07524	5.1
163.11217	3.6
163.14751	1.3
165.07085	1.2
165.12778	2.3
169.12254	1.2
173.05995	2.0
173.09624	6.0
173.13263	7.6
174.06761	7.5
175.07539	8.4
175.14761	2.8
177.00667	2.1
177.05453	1.9
177.06923	1.4
177.12761	4.1
177.16350	3.1
178.08514	1.8
189.09093	12.6
190.07748	1.3
191.07024	53.1
191.08539	3.5
191.10599	3.2
191.14323	5.0
191.17943	6.5
194.07217	4.0
201.09045	1.7
201.16408	13.3
205.06468	1.6
209.09637	1.4
219.08177	2.0
219.10143	22.6
219.13895	1.9
219.17421	44.5
222.06728	3.0
237.05461	2.2
237.09302	14.3
237.11240	8.7
237.14796	2.9
237.18489	39.1
237.22179	4.9
238.06317	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1847
Annotation	Atlantolone
Peak:m/z	Relative Intensity
53.03897	1.0
55.01862	6.7
55.05453	5.2
56.96526	1.5
57.03400	1.3
57.07015	21.9
59.04938	2.0
61.83805	0.6
65.03899	1.2
67.05501	9.8
68.99788	3.7
69.03374	2.1
69.07059	8.9
69.51281	4.8
70.69032	0.6
71.01289	2.3
71.04925	2.6
79.05482	6.4
81.03358	2.1
81.07052	17.3
83.04975	17.1
83.08603	3.2
85.02862	1.4
85.06532	4.0
87.04388	0.8
91.05479	6.1
91.39392	0.6
93.03383	0.8
93.07030	14.6
95.04897	2.5
95.08602	16.1
95.09180	0.6
97.02813	2.0
97.06522	6.7
97.10091	2.4
99.04359	0.7
99.08047	1.8
103.05440	0.7
105.07025	12.9
107.04934	4.6
107.08588	17.8
109.02878	8.2
109.06484	3.3
109.09476	1.1
109.10149	12.6
111.04432	32.4
111.08048	5.1
113.09603	0.7
117.06943	2.0
119.08569	9.1
121.06451	2.0
121.10128	17.0
123.08012	2.5
123.11728	4.4
125.02267	1.4
125.05986	8.1
125.09636	3.3
127.07507	2.0
127.11097	1.4
129.05434	1.5
131.08548	3.0
133.06407	0.7
133.10126	5.6
135.04402	4.3
135.08047	3.9
135.11681	9.1
137.09560	2.6
137.13202	0.6
139.03900	1.0
139.11093	1.9
141.09058	0.8
143.08466	0.7
145.10112	9.4
147.04317	1.0
147.11705	5.3
149.02280	2.0
149.09616	3.6
149.13200	2.7
151.07507	1.2
151.11189	3.4
153.05452	19.8
153.09023	1.3
153.12692	1.2
155.03291	0.8
159.11659	8.1
161.13254	12.5
163.03847	2.5
163.11163	10.7
163.14769	1.9
165.12711	1.5
167.10608	1.5
173.13206	1.6
175.07530	2.4
175.14815	3.0
177.09074	2.7
177.12729	2.3
177.16350	2.9
179.14278	2.5
181.04951	6.1
181.12221	10.7
191.10658	16.8
191.17924	3.2
193.04919	1.9
193.08603	1.6
195.10150	2.5
201.16380	12.1
205.15849	0.9
209.11711	100.0
210.12059	2.7
219.10112	2.3
219.17432	14.6
237.07346	2.9
237.11150	14.3
237.14836	1.9
237.18486	21.0
237.22028	4.7
238.11443	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	236.0795
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.4
56.04786	1.6
56.05034	25.4
56.96558	2.0
57.03427	7.5
58.06590	6.0
60.04511	2.9
61.02916	1.3
64.83804	0.9
69.03418	5.4
70.06547	1.5
70.39457	3.9
71.01320	2.8
71.04993	2.8
72.04513	2.7
73.02914	1.8
74.06080	53.6
75.04475	2.9
80.05040	1.0
81.02987	1.5
81.03421	23.5
82.06610	1.4
83.04971	1.4
84.04499	2.4
85.02905	9.6
86.06078	1.4
87.04479	2.2
91.26338	1.0
94.06564	7.3
95.04971	3.9
96.04516	1.1
97.02859	6.5
98.06052	8.8
98.21418	1.1
98.97569	1.7
99.04442	3.3
101.02436	1.6
102.05525	1.3
108.04427	1.3
109.02875	17.7
110.03655	3.0
110.06045	13.9
111.04457	3.6
112.07560	1.6
113.06016	1.5
115.03854	0.9
119.01865	3.4
120.01997	4.4
122.06036	5.2
123.04411	4.4
125.02374	1.3
126.05516	7.0
127.03918	2.8
127.06281	3.4
127.14368	1.1
133.01651	2.7
133.03445	1.9
134.99634	1.1
140.07045	5.5
141.05449	1.1
141.07832	1.5
146.99577	1.1
149.01125	44.5
150.05530	1.7
155.07080	1.6
157.03474	1.1
162.03053	2.2
162.04300	10.8
165.04036	1.3
168.06541	1.8
169.04904	1.0
170.99055	1.3
175.04530	1.2
176.04558	1.4
176.05872	10.6
177.00554	1.2
177.06635	4.0
182.08031	1.6
186.07693	3.1
189.00134	1.7
192.09009	4.2
200.09164	3.8
204.08673	4.3
212.06673	1.0
213.00136	1.0
218.10251	4.5
219.08517	1.4
236.07930	43.1
236.11284	100.0
236.14780	14.0
249.60095	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1484
Annotation	Norsecoswartzianin
Peak:m/z	Relative Intensity
53.75654	1.1
55.05509	7.1
57.03438	2.1
57.07057	5.3
59.04989	2.7
67.05506	9.0
69.03412	3.4
69.07070	8.3
69.44589	4.4
69.45021	6.9
70.06613	1.2
71.04981	4.2
71.08620	1.6
73.03612	1.1
74.90475	1.1
77.50984	1.0
79.05489	7.0
81.03411	3.6
81.07048	14.4
82.05896	1.3
83.04975	5.5
83.08600	5.2
85.02882	5.3
85.06527	4.3
91.05480	7.9
93.07041	16.4
95.04964	5.6
95.08607	12.9
97.06524	3.2
97.10191	2.0
99.04439	6.6
99.08079	2.1
101.06010	1.4
103.05427	2.3
105.07027	9.6
107.04948	1.5
107.08592	12.0
109.02919	1.4
109.06520	11.8
109.10152	8.8
111.04420	1.6
111.08055	4.3
115.05421	2.0
117.06997	4.8
119.08606	8.3
121.06518	7.9
121.10127	9.7
123.08071	2.7
123.11679	2.8
125.05936	1.4
125.09637	2.0
129.06932	1.6
131.04926	3.9
131.08563	6.8
133.06496	3.5
133.10126	7.1
135.08037	8.8
135.11678	6.9
137.05989	7.2
139.07495	2.6
143.08585	1.4
144.05698	2.8
144.09328	3.7
144.87968	1.3
145.06502	1.8
145.10092	4.1
146.07271	1.5
147.08113	1.3
149.09648	3.0
149.13223	3.5
151.07524	4.1
151.11121	2.5
153.09076	3.7
159.08041	1.9
159.11693	18.1
161.05956	2.2
161.09492	1.4
161.13278	2.6
163.03912	1.5
163.07524	11.2
163.11159	1.5
173.13281	3.5
177.03723	2.5
177.05441	2.4
177.12759	7.4
177.14026	1.4
179.10574	1.7
181.08617	10.3
189.05446	3.0
191.07027	2.9
191.08530	2.4
191.14198	3.4
191.17941	1.7
194.07262	2.1
201.12677	1.8
201.16365	3.4
204.07774	3.6
205.03194	2.6
207.06584	1.8
219.08151	2.8
219.10201	4.1
219.13837	6.3
219.17453	7.1
219.20982	2.0
237.03696	2.1
237.05559	3.0
237.09471	9.8
237.14822	100.0
237.18169	8.0
237.22067	11.8
238.05434	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1328
Annotation	CHEBI:67430
Peak:m/z	Relative Intensity
51.21534	0.2
55.05528	0.3
57.07072	2.4
64.54043	0.2
64.81467	0.2
65.03929	0.4
67.05487	0.3
69.07037	0.3
69.87285	1.5
71.08630	2.4
81.07048	0.6
91.05476	7.1
93.07059	0.4
95.04975	0.5
95.08598	0.4
105.07019	0.3
107.08574	0.6
109.06558	0.2
117.06991	0.3
119.04941	23.1
121.10142	0.2
123.04426	0.8
133.10106	0.5
147.04408	100.0
148.04747	0.5
159.11682	0.6
161.09634	0.3
165.05475	30.5
179.10620	1.1
215.31610	0.2
217.15823	0.5
235.09625	0.3
235.13300	0.5
235.16908	6.5
235.20531	0.3
240.55585	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.2056
Annotation	Callicarpenal
Peak:m/z	Relative Intensity
53.03934	1.9
55.01855	1.5
55.05511	12.5
57.03429	2.8
57.06821	1.1
57.07077	15.9
59.04994	1.1
65.03920	1.8
67.05502	56.7
69.07063	14.0
69.83839	5.4
71.04971	3.6
71.08621	3.3
74.72865	0.8
75.90947	0.7
77.38565	0.8
79.05490	26.2
81.07054	72.9
83.04979	4.1
83.08623	8.2
85.06541	5.5
85.10168	2.4
91.05470	19.7
93.07041	31.7
95.04956	3.6
95.08604	70.1
97.06524	6.7
97.10175	5.6
99.08085	5.6
105.07027	21.1
107.04945	1.1
107.08587	23.4
109.06509	2.7
109.10152	32.3
111.08082	4.2
111.11749	1.3
112.27508	0.9
113.09628	3.2
115.05460	1.3
117.07015	1.8
119.08577	21.0
121.06533	1.1
121.10137	34.6
123.08058	3.4
123.11698	12.7
125.09635	2.2
127.11179	1.2
129.07019	1.2
131.08565	2.4
133.09116	1.3
133.10124	24.0
135.11687	33.6
137.09610	4.0
137.13258	9.1
139.11195	2.8
145.06459	2.1
145.10124	1.1
147.07993	1.4
147.11685	17.3
149.13243	7.8
151.11110	2.1
151.14838	5.4
153.12700	1.4
159.11694	1.4
161.13246	15.0
163.14851	3.0
165.12718	2.4
175.07585	4.5
175.14822	6.8
177.16321	2.3
179.10582	4.1
179.14285	1.1
187.07561	1.0
189.16367	2.7
190.06303	0.9
190.64584	0.8
191.17950	6.2
214.34589	0.8
217.08556	1.5
217.19501	55.7
235.07642	1.6
235.09615	1.4
235.17003	24.7
235.20554	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.0963
Annotation	Artemidiol
Peak:m/z	Relative Intensity
53.87404	0.2
55.05490	0.4
55.13388	0.2
56.96571	1.1
57.03446	0.3
57.07075	4.1
59.05019	0.2
65.03928	0.4
67.05513	1.0
67.11471	0.2
69.03450	0.3
69.07070	0.6
69.74512	0.6
69.74940	0.9
70.16850	0.2
71.04993	8.1
72.53786	0.2
79.05495	0.8
79.20195	0.2
80.87621	0.2
81.07060	1.3
83.04956	0.3
89.03938	0.3
91.05480	8.5
93.06550	0.2
93.07029	1.0
95.04977	0.4
95.08597	1.8
98.20834	0.4
105.07023	1.7
107.08604	1.6
109.06546	0.4
109.10157	0.7
111.08105	0.3
113.96447	0.2
117.06998	0.3
119.04940	25.9
119.08581	1.3
121.06515	0.3
121.10146	0.9
123.04394	0.4
123.08038	0.3
123.11730	0.3
125.09583	0.3
131.00185	0.7
131.08578	0.6
133.10141	1.2
135.04404	0.5
135.08081	0.3
135.11685	0.4
137.13197	0.2
145.06496	0.4
145.10158	0.3
147.04405	100.0
147.11671	0.8
148.04721	1.6
149.01164	1.1
149.09637	0.6
149.13237	0.2
151.11142	0.3
157.10117	0.3
159.11694	0.7
161.09589	0.3
161.13289	0.4
163.03914	2.0
163.11162	0.2
164.04237	0.3
165.05472	3.5
165.12730	0.3
167.02242	0.3
173.06035	0.4
175.07571	0.4
175.11145	0.5
175.14836	0.7
177.12785	0.3
179.10654	3.1
189.00639	0.3
189.16396	0.4
211.04922	0.2
217.08551	0.3
217.15894	0.8
217.19525	0.6
225.08020	0.4
235.09644	34.4
235.16913	12.4
235.20317	1.3
236.10133	1.0
237.00639	0.4
238.86839	0.2
243.09048	0.7
255.01682	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.0599
Annotation	HOHPDA
Peak:m/z	Relative Intensity
54.84737	0.6
55.01865	1.1
57.07072	6.0
66.41367	0.7
68.99798	1.0
70.05408	3.1
71.01355	2.2
76.12964	0.5
77.66293	0.7
79.05489	1.9
91.05486	8.1
93.07059	0.7
95.01321	2.5
95.04953	3.9
95.08609	1.2
98.21609	0.6
103.05458	9.1
105.07024	18.2
107.04947	3.4
107.08607	1.6
115.05449	25.4
115.12643	0.6
117.07008	100.0
118.07355	0.6
119.04932	3.5
119.08596	0.8
121.02853	14.7
123.04457	5.6
127.05415	2.8
128.06207	5.1
129.06995	5.0
131.04909	6.7
133.06482	29.0
143.04880	5.0
144.05667	2.1
145.06473	89.7
146.06926	0.9
147.04424	5.7
155.04938	1.3
155.06024	14.4
161.05975	18.5
166.35582	0.7
171.04373	39.5
171.05528	3.4
173.05971	4.0
175.03899	6.2
179.10658	3.7
189.05450	19.9
191.06999	3.8
199.03902	15.6
215.52037	0.6
217.04948	73.5
218.05322	0.7
230.08099	1.2
235.05983	77.3
235.16904	16.0
235.20538	1.4
235.83415	0.7
236.06117	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	234.1852
Annotation	Rotundine B
Peak:m/z	Relative Intensity
53.03946	1.2
53.93539	0.9
55.05495	2.6
56.13696	0.8
56.82946	0.9
57.07054	3.4
67.05516	6.6
68.05025	1.2
69.07068	49.4
69.28886	9.4
69.29289	1.8
70.06580	1.8
70.17486	0.9
72.50844	1.0
79.05489	3.5
80.06255	3.3
81.05781	1.1
81.07063	9.3
82.06588	5.0
83.08607	1.2
84.04511	1.1
84.08134	1.4
86.06058	3.3
91.05467	6.3
93.05777	4.7
93.07047	7.1
94.06567	100.0
95.07383	0.9
95.08600	5.8
98.06110	1.0
98.21529	1.6
101.01780	0.8
105.07030	11.5
106.06534	1.4
107.07345	5.0
107.08576	8.7
108.08128	12.7
108.52473	0.9
109.10155	11.0
110.06042	32.9
112.07602	7.7
117.07009	1.2
119.08610	7.3
120.08098	3.4
121.10127	4.2
122.09658	2.0
124.62029	0.8
126.72960	1.0
130.07678	0.9
131.07516	1.2
131.08571	11.9
132.08061	4.7
133.09029	1.8
133.10126	14.8
134.09634	4.1
135.10493	1.0
135.11678	3.3
137.12013	1.0
141.19255	1.0
145.08855	2.8
145.10120	8.5
146.09645	20.3
147.10432	11.1
148.11200	34.2
150.09145	1.7
157.10123	2.6
159.11685	2.7
160.11185	17.7
161.12032	5.8
162.12662	0.9
165.11572	1.2
166.12222	1.1
173.11917	1.9
174.12764	7.8
175.14850	2.4
176.14354	1.0
178.12251	2.6
188.14351	1.2
201.16402	1.7
202.15927	6.5
216.17490	25.8
217.10651	2.3
217.18184	4.0
234.18526	60.1
235.16899	7.4
235.18901	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	234.1851
Annotation	Deoxynupharidine
Peak:m/z	Relative Intensity
53.03938	1.1
55.05507	3.6
57.07064	2.3
58.06585	0.6
65.03945	1.3
67.05501	4.2
69.07063	7.8
69.84258	1.1
69.84669	2.3
70.06577	1.7
72.31387	0.6
79.05489	5.1
80.05003	1.3
81.07057	7.3
82.06585	1.0
83.08608	1.8
91.05479	7.1
92.04997	0.6
93.05774	0.6
93.07045	8.4
94.06552	2.1
94.07368	2.3
95.04975	1.4
95.07346	1.1
95.08605	6.6
96.08133	1.5
96.08913	1.1
98.06059	0.8
103.05466	0.7
105.06388	0.8
105.07029	11.0
106.06553	1.8
107.07365	0.8
107.08593	7.6
108.08107	2.8
109.06520	0.7
109.10149	4.5
110.06036	8.4
111.08089	1.7
112.07651	1.2
112.08434	2.1
117.07018	4.0
118.06525	1.5
119.08578	10.6
120.08123	1.4
121.08878	0.6
121.10134	4.3
121.30840	0.6
122.06052	0.6
122.09636	2.7
123.11679	1.4
124.07590	2.1
128.06184	0.9
129.07034	1.5
130.07797	1.4
131.07324	1.5
131.08546	7.0
132.08067	3.3
133.09177	0.9
133.10139	7.1
134.09663	2.2
135.11682	2.0
136.07561	0.7
136.11189	1.0
138.09143	0.8
139.07520	2.4
140.07890	4.0
143.08583	1.3
144.09207	0.8
145.08986	1.0
145.10117	14.5
146.09644	4.5
147.10512	0.9
147.11667	2.0
148.11182	2.2
148.12341	0.7
149.13246	1.1
150.09108	1.9
152.10707	0.7
157.10130	1.2
159.10455	1.1
159.11665	5.5
160.11195	5.0
160.12402	1.0
161.11986	1.7
161.13252	2.4
162.12752	1.3
164.10689	2.1
166.12279	2.2
171.11636	0.6
172.11308	0.8
173.13272	1.3
174.12820	2.9
175.14873	3.6
176.14383	1.1
178.12253	3.4
186.12778	1.2
188.11496	3.6
188.14340	1.7
201.16470	5.6
202.15889	3.1
206.15396	1.6
216.17479	3.0
217.18237	2.7
234.18520	100.0
235.16878	2.4
235.18939	1.2
245.79378	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1899
Annotation	Gibbilimbol A
Peak:m/z	Relative Intensity
53.03942	1.3
55.01854	1.7
55.05509	6.5
55.91434	0.5
57.03429	1.2
57.07061	1.7
57.09704	0.6
63.88220	0.5
65.03922	0.8
67.05505	22.6
69.03429	1.7
69.07069	4.6
69.42242	0.6
71.04985	4.6
71.59268	0.8
75.81923	0.5
79.05492	21.5
81.03413	1.0
81.06577	1.3
81.07054	26.5
83.04975	4.0
83.08599	3.6
85.02904	8.3
85.06535	3.3
87.00813	1.1
90.95232	0.6
91.05477	25.4
93.07041	24.3
95.04988	3.2
95.08602	25.0
97.06532	7.6
97.10161	1.5
99.08084	2.2
103.05478	0.6
105.07024	17.7
107.04939	1.6
107.08591	17.5
108.08176	0.6
109.06539	4.1
109.10158	10.4
111.08090	4.5
115.05447	0.7
117.07010	10.7
119.04957	0.6
119.08574	18.8
121.06456	1.6
121.10139	24.8
123.08054	2.7
123.11731	3.0
125.09597	1.1
129.05501	1.1
131.08562	21.4
133.06520	0.7
133.10126	29.9
135.08057	3.8
135.11688	17.9
137.05972	1.6
137.09605	6.0
137.13277	0.8
143.08554	0.6
144.09375	0.7
145.06468	2.2
145.10121	18.5
146.10362	0.7
147.04407	0.7
147.11676	12.6
149.09619	4.3
149.13260	7.5
151.11160	3.3
153.09077	1.0
154.07773	0.6
157.10069	0.7
159.08110	0.7
159.10443	0.9
159.11688	14.9
160.79973	0.6
161.13237	3.7
163.11136	3.5
163.14827	0.7
165.12651	0.7
171.11699	1.2
172.05170	1.7
173.06020	0.9
173.09662	1.2
173.13268	11.3
175.14841	3.4
177.12708	1.4
187.11214	0.9
187.14824	8.2
189.09209	0.8
189.16377	10.3
191.14430	0.7
191.17928	0.9
200.04559	0.7
212.31300	0.6
215.10715	4.2
215.17946	57.7
216.18394	1.1
233.08064	2.2
233.11769	3.1
233.15266	3.6
233.18994	100.0
234.19336	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1495
Annotation	H-Thr-Leu-OH
Peak:m/z	Relative Intensity
51.62839	0.3
55.01875	0.6
55.05505	0.5
56.05035	15.1
56.96562	1.7
57.03436	2.6
57.07063	0.3
58.06596	3.4
67.05499	1.0
69.03431	1.1
69.07080	0.6
69.74715	2.8
71.04983	0.4
74.06079	100.0
75.04479	1.3
79.05496	0.8
80.25558	0.4
81.03406	0.6
81.07056	0.9
83.04977	0.9
83.32013	0.3
84.04498	3.1
85.02893	1.0
86.09703	21.0
91.05488	1.3
93.07066	0.7
95.04956	0.8
95.08594	0.5
97.02910	2.0
98.97581	0.6
99.04486	0.4
101.07140	2.1
105.07066	0.9
107.04964	1.7
107.08575	1.2
109.02899	0.6
109.10178	0.6
111.04379	0.4
111.98946	0.4
116.98644	0.6
117.06940	0.8
119.04951	0.5
119.08561	0.8
121.06501	0.5
121.10152	0.5
123.04411	0.5
124.53088	0.4
126.12778	0.7
129.07011	0.6
131.08565	1.0
132.10204	18.2
134.99637	0.6
135.08141	0.5
137.05919	0.4
143.11810	0.7
145.06522	0.4
145.10114	0.9
147.04375	0.6
147.11671	0.5
150.96898	0.7
155.07034	0.6
159.08029	0.5
159.11687	2.7
161.01196	0.7
169.13393	2.0
173.05952	0.7
173.09610	0.5
175.11284	0.5
187.07578	0.5
187.11299	0.6
187.14432	12.6
192.34460	0.4
197.13055	0.5
205.08452	0.4
208.99738	0.5
211.02773	0.8
212.08022	2.0
212.58228	0.4
215.13914	5.2
217.10738	0.8
233.04561	0.8
233.07990	1.5
233.11684	0.8
233.15013	18.0
239.23289	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1535
Annotation	CHEBI:69963
Peak:m/z	Relative Intensity
50.56202	1.3
53.34298	1.1
55.01863	2.7
55.05506	6.0
57.07074	6.6
59.04998	2.0
65.03935	2.2
67.05508	17.6
69.03141	1.2
69.03433	14.1
69.07076	7.0
69.35585	11.0
69.36007	3.1
71.04981	7.1
72.07861	1.3
77.03966	1.9
79.05489	21.3
81.03390	3.2
81.07057	16.9
83.04983	12.0
83.08608	3.2
85.02918	2.6
85.06544	13.7
91.05482	32.5
93.07046	28.4
95.04968	14.0
95.08612	11.0
97.02861	3.2
97.06526	10.7
103.05485	3.4
105.07032	31.5
107.04963	9.9
107.08594	43.7
109.06528	9.4
109.10181	9.2
111.08086	10.5
113.06009	7.4
115.05463	3.7
116.06232	2.7
117.07011	14.4
119.04961	1.4
119.08587	24.1
121.06499	13.1
121.10141	40.0
122.07314	7.9
123.04483	1.3
123.08050	5.4
125.09611	4.6
127.07545	5.6
128.06216	3.1
129.06992	4.0
130.07774	5.6
131.04874	2.2
131.08565	35.9
133.06482	4.1
133.10136	24.9
135.08063	8.1
135.11690	7.3
137.06000	8.2
137.09619	51.2
139.07516	2.3
141.06952	2.3
142.07745	1.8
143.08530	7.3
145.06493	6.8
145.10124	60.7
146.10858	5.0
147.08034	7.4
147.11691	7.5
149.05951	5.3
149.09619	48.1
149.10626	1.2
149.13289	2.9
151.11195	6.5
153.09084	10.0
154.07809	2.6
156.09344	1.7
157.10164	6.0
158.10919	4.4
159.08049	7.6
159.11697	14.4
160.05144	1.4
161.06000	2.2
161.09521	2.2
161.13286	2.0
163.03960	1.8
163.07507	3.6
163.11191	26.1
165.27591	1.5
167.07068	1.7
167.39157	1.4
169.10222	1.9
171.11719	2.0
172.05148	1.8
173.09634	20.1
173.13258	24.4
174.06612	2.2
175.07492	1.4
175.11194	8.0
177.09081	6.8
181.04904	2.3
187.11188	5.6
187.14871	13.1
189.12781	4.9
189.16408	1.7
191.06984	6.4
191.10661	3.3
191.14299	6.7
197.09529	2.1
203.07050	2.7
205.08450	1.4
205.12196	3.6
205.15878	4.6
215.10698	9.1
215.14316	11.1
215.17900	11.7
216.04604	1.2
233.04321	1.6
233.08046	7.6
233.11894	16.7
233.15370	100.0
233.18909	24.3
234.15790	1.9
242.26228	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.0421
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62632	15.1
66.11989	16.8
70.53091	16.3
71.06222	13.7
71.44144	26.8
71.44473	18.2
82.27338	15.1
101.00809	21.5
119.01904	63.0
126.94075	17.8
143.01892	31.9
145.03432	100.0
148.02747	13.6
157.03433	20.2
161.02960	65.3
162.66573	17.5
163.04532	29.9
164.06268	16.4
175.04596	23.0
183.61256	16.9
191.03996	33.8
231.15596	15.2
233.06412	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	233.1171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91288	0.5
60.76265	0.7
67.05508	1.0
69.07069	89.6
71.59271	0.6
91.05480	4.2
111.85581	0.6
117.07027	0.6
119.04948	13.8
137.06030	1.0
145.10240	0.9
147.04410	100.0
148.04736	2.2
165.05476	83.5
166.05878	0.7
233.11687	9.1
233.15228	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1172
Annotation	Lacinilene D
Peak:m/z	Relative Intensity
52.57619	0.6
55.01920	1.6
55.05560	1.4
57.03498	4.2
57.07135	0.7
67.05556	1.1
69.03479	1.1
69.07132	2.0
71.05037	1.0
79.05504	2.8
80.05872	0.6
81.03482	0.8
81.07053	2.8
83.05019	0.8
85.02989	1.1
85.06609	0.7
91.05483	6.6
93.07058	3.2
95.05059	1.7
95.08681	2.4
97.06519	4.9
103.05545	1.7
105.07024	5.8
107.05038	2.1
107.08658	1.9
107.10664	0.5
109.06540	0.7
109.10217	1.2
115.05444	4.9
116.06239	0.8
117.07004	6.4
119.05027	1.8
119.08661	3.9
121.06593	2.3
121.10188	1.2
123.04522	1.6
123.08138	0.7
127.05487	0.6
128.06218	3.2
129.06979	5.9
130.07840	1.7
131.04143	0.6
131.04932	3.0
131.08560	9.5
132.05742	0.7
133.06535	1.5
133.10120	3.2
134.99672	0.8
135.04478	1.5
135.08075	0.8
135.11751	1.3
137.06012	3.5
137.09668	0.6
140.06229	2.0
141.06989	16.6
142.07814	1.1
143.05003	0.7
143.08559	5.5
144.05772	2.6
144.09351	1.1
145.06477	9.4
145.07452	0.6
145.10132	6.1
147.04437	1.4
147.08049	0.7
147.11719	2.0
149.05975	7.7
153.06989	2.7
154.07774	18.4
155.04927	0.9
155.08568	3.3
157.06546	2.0
157.10118	3.4
158.07288	5.3
159.04541	1.2
159.08072	6.0
159.11694	8.3
160.05246	2.3
161.05994	11.6
161.09615	0.7
162.06776	0.7
163.03932	1.8
163.07556	3.5
163.11203	1.3
165.05545	2.1
165.06921	0.7
167.08656	1.9
168.05727	9.1
169.06476	11.9
169.10130	31.0
170.07187	0.7
170.10471	0.6
171.08012	3.6
171.11568	0.8
172.05193	4.1
172.08899	1.4
173.05991	8.3
173.09567	3.8
173.13342	1.9
174.06812	1.2
175.03949	1.1
175.07538	2.6
175.11102	1.1
176.04698	0.8
176.08350	1.9
177.00797	0.9
177.05429	1.2
177.09113	1.6
178.06355	0.8
178.07808	1.8
179.08546	3.9
181.06595	1.3
182.07314	1.5
185.06009	2.6
185.09630	7.1
186.06764	21.9
187.07544	11.8
187.11191	10.9
187.14864	2.6
189.05479	1.9
189.07059	1.6
189.09048	5.1
189.12823	0.7
190.07863	1.5
191.07043	8.5
191.08595	6.5
191.10475	0.9
191.54031	1.1
195.06512	0.9
197.09610	31.6
198.09972	0.7
200.04669	1.5
200.08281	1.4
200.54602	0.7
202.06165	0.9
202.07813	0.9
203.07008	12.0
203.08575	1.3
203.10623	1.4
204.07829	2.4
205.04987	2.0
205.06693	1.1
205.08563	4.6
205.10408	0.9
205.12248	3.0
215.10670	100.0
216.11063	2.3
216.25459	0.6
218.05479	0.9
218.07394	6.7
219.08075	7.3
229.25146	0.7
231.10175	1.4
233.07739	10.5
233.09715	9.2
233.11703	93.1
233.15083	7.1
233.19009	4.7
233.22284	2.2
234.10326	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	231.159
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79946	0.6
53.03944	2.6
55.01869	3.0
55.05506	10.2
56.96579	0.7
57.03435	4.4
57.07065	3.1
59.04996	0.7
61.02911	0.8
62.07593	0.8
67.05500	36.6
69.03427	22.0
69.07066	19.6
71.04990	53.3
71.61980	0.9
72.08150	2.7
79.05488	27.8
79.05963	1.4
81.03423	10.7
81.07056	35.3
83.04987	4.3
83.08620	5.3
85.02898	7.7
85.06537	9.6
85.10147	0.8
87.00819	4.8
87.04470	1.6
91.05476	15.6
93.07040	45.2
95.04964	4.1
95.08603	29.3
97.02877	4.1
97.06526	12.3
97.10155	0.7
98.97533	0.8
99.04471	3.8
99.08107	1.6
103.05492	1.3
105.07015	11.9
107.04935	2.6
107.08590	30.1
109.02863	3.4
109.06516	2.3
109.10146	20.1
111.04432	5.0
111.08070	4.4
113.05975	0.8
113.09580	0.8
115.03893	1.0
115.05474	1.6
116.06227	1.0
116.98647	1.3
117.07004	10.0
119.04955	1.7
119.08559	5.6
121.06490	3.8
121.10143	5.8
123.08042	0.9
125.05975	2.6
125.09624	1.0
127.03910	7.9
128.06197	4.9
129.05481	14.5
129.06976	6.6
131.08565	16.6
133.06483	1.6
133.10132	12.0
135.08153	3.7
135.11684	100.0
136.11967	1.3
137.05966	1.2
139.07538	2.3
139.11166	2.5
141.06929	1.5
142.07782	3.5
143.07225	1.1
143.08548	17.4
144.09245	1.1
145.10118	10.1
146.10878	1.4
147.04388	2.0
147.07991	0.9
147.11679	1.1
149.13257	9.6
151.07532	1.5
151.11153	2.0
153.09224	1.4
153.12735	58.1
155.08540	1.9
156.09340	1.7
157.06485	1.2
157.10126	10.0
159.08032	2.4
159.11691	17.0
159.13016	0.9
161.05971	2.1
161.09595	3.3
161.13254	1.1
163.07515	1.1
165.06999	1.2
167.08455	0.7
169.10132	1.1
170.10918	2.6
171.02892	1.0
171.08043	2.1
171.11652	1.7
171.13805	12.5
173.09604	4.0
175.07527	5.4
175.11229	1.7
177.12752	17.0
185.09818	1.5
185.13239	29.2
186.46982	0.7
187.14761	1.1
189.09085	3.0
189.12758	3.3
195.11745	2.8
195.13780	22.6
198.10493	0.8
203.10669	5.1
203.14279	4.1
213.12727	7.2
213.14854	14.7
231.04836	1.9
231.06595	2.1
231.13786	35.2
231.15567	1.5
232.14098	1.0
248.21916	0.7
251.09866	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1014
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00294	0.1
55.05512	0.1
65.03926	0.9
67.05502	1.7
69.65412	1.0
79.05475	0.3
81.07053	0.8
91.05477	8.8
93.03402	0.2
93.07044	1.2
95.04960	0.4
95.08612	0.3
102.70972	0.1
105.07009	0.6
107.04942	0.4
107.08559	0.3
109.10148	0.3
117.06993	0.3
119.04937	23.6
119.08553	0.3
121.02906	0.1
128.06203	0.2
129.06995	0.4
131.08536	0.6
133.10077	0.1
137.05983	0.5
142.98219	0.1
143.08566	0.7
145.10110	0.4
145.67348	0.1
147.04402	100.0
148.04796	0.6
155.08574	0.2
157.06543	0.2
157.10091	0.7
159.08051	0.2
159.11694	0.4
161.05939	0.1
161.09610	0.3
171.08098	0.2
171.11711	0.2
175.07552	0.3
177.83922	0.1
185.09630	0.5
185.13251	1.6
189.12642	0.2
195.11720	0.3
203.10747	0.2
203.14320	0.1
213.09322	0.1
213.12776	0.4
227.09502	0.2
231.10167	5.1
231.13736	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	231.1016
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.2
55.05500	0.3
62.62670	0.1
65.03947	0.8
65.42217	0.2
67.05512	1.0
69.07087	0.3
69.85470	0.2
70.26907	0.2
70.88143	0.2
70.88467	0.5
72.08130	0.2
79.05508	0.7
80.00751	0.2
81.07060	1.8
85.06546	0.5
91.05480	9.8
93.07039	1.3
95.04983	0.4
95.08609	0.7
100.17121	0.2
105.07034	2.0
107.04952	0.5
107.08597	1.1
117.07027	0.9
119.04942	25.7
119.08601	0.8
119.10757	0.2
120.05254	0.3
128.06216	0.7
129.07039	1.2
131.08537	1.5
133.06483	0.2
133.10130	0.6
135.11732	0.2
137.05969	0.4
142.07809	0.5
143.08556	2.8
144.09309	0.2
145.10136	1.8
146.10933	0.2
147.04407	100.0
148.04797	0.9
151.07550	0.4
155.08571	0.5
156.09366	0.4
157.06546	0.3
157.10115	2.0
159.11659	1.0
161.09586	0.4
163.43614	0.2
165.07030	0.3
170.10918	0.3
171.08044	0.3
171.11691	0.4
173.09595	0.6
175.07591	1.0
175.11276	0.2
183.29614	0.2
185.09650	0.6
185.13271	4.4
189.09132	0.4
189.60425	0.2
195.11739	0.4
203.10715	0.7
203.14380	0.7
213.12692	1.1
227.11353	0.3
230.24725	0.3
231.10187	5.2
231.13770	4.5
231.25166	0.4
241.05508	0.4
242.05750	0.3
246.06145	0.2
250.12888	0.6
250.36113	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.0497
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87824	1.2
53.03948	8.7
55.01854	3.8
55.05495	2.2
57.03435	5.7
57.03659	1.2
57.12016	1.1
61.02904	1.9
66.92819	1.3
68.99776	4.8
69.03429	98.7
71.01349	1.2
71.04993	9.3
71.18597	1.6
71.18925	1.7
73.02908	1.4
81.03415	100.0
81.07036	4.5
83.01336	8.1
85.02905	74.0
87.00832	33.4
91.05457	4.8
93.07024	3.1
95.04931	2.5
95.08588	2.7
97.02887	19.8
99.03841	1.6
99.04453	28.4
102.98151	1.2
105.01829	4.3
105.07033	6.3
107.08638	1.4
109.02840	5.0
111.00780	3.7
111.04407	1.6
117.07023	2.8
119.08538	4.4
121.06455	1.9
123.04352	1.4
127.03917	68.3
128.06224	1.7
129.06978	4.2
131.08528	3.5
133.06424	2.1
133.10115	3.2
142.07715	1.9
143.08554	6.6
145.04910	5.3
145.10150	6.9
153.78748	1.2
156.09250	1.8
157.06514	1.4
157.10115	5.9
159.07951	1.4
159.11662	3.7
161.09537	1.4
170.10945	1.5
171.02919	7.0
171.08015	1.5
171.11607	1.6
173.09633	1.9
175.07576	2.8
180.09326	1.4
185.13269	16.2
195.06183	1.1
195.11656	2.8
203.14343	1.9
213.03853	1.6
213.12753	7.8
231.04942	44.3
231.10057	1.7
231.13805	18.4
239.22754	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.0499
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	4.8
55.01867	2.5
55.05521	1.3
57.03434	2.9
67.05512	2.0
67.29684	0.7
68.99794	3.3
69.03429	100.0
71.01357	0.8
71.04993	6.1
73.02912	1.0
79.05499	3.1
81.03417	66.6
81.07057	7.6
83.01350	5.9
83.08596	0.9
85.02903	45.6
87.00829	25.5
87.03130	0.7
87.04491	0.7
91.04993	1.0
91.05473	5.0
93.07040	3.9
95.08594	2.8
97.02892	12.6
99.04460	18.3
105.01853	3.3
105.07033	7.6
107.08581	2.2
109.02879	6.4
111.00798	1.6
114.07904	0.8
117.07011	3.9
119.08578	3.9
121.06515	0.8
121.10179	1.6
123.04465	0.7
126.95893	0.7
127.03915	56.0
128.06245	3.2
129.06981	5.1
130.07837	0.9
131.08577	7.3
132.09431	0.8
133.06506	1.3
133.10138	3.3
135.04454	0.8
135.11720	1.2
137.05995	0.7
142.07751	2.5
143.08559	11.2
145.04926	4.0
145.06419	1.3
145.10120	9.2
146.10884	1.0
147.02888	0.9
147.08057	2.3
147.11787	0.7
148.33018	0.7
151.07539	1.7
155.08511	1.6
156.09358	1.5
157.06531	1.8
157.10146	6.2
159.08052	1.6
159.11644	5.2
161.05968	1.0
161.09593	2.5
165.06947	1.6
170.10864	1.2
171.02870	3.9
171.07985	1.8
171.11674	2.2
173.09584	2.8
175.07573	3.9
175.11165	1.6
185.09647	2.1
185.13258	18.2
187.06059	1.0
187.14801	1.1
189.09074	2.6
189.12679	1.9
194.73724	0.7
195.11673	2.8
201.09187	1.0
203.08821	1.0
203.10603	3.7
203.14272	2.6
208.78423	0.7
213.03937	2.2
213.09053	1.3
213.12706	4.5
231.04965	26.6
231.07883	1.5
231.10094	3.2
231.13811	22.5
231.17383	1.9
237.44299	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.0498
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	6.9
53.17085	1.0
54.04740	0.9
55.01870	3.3
55.05493	3.3
57.03426	4.2
57.40694	0.9
57.93602	0.9
61.02906	1.9
67.05490	4.2
67.24373	1.0
68.99784	1.9
69.03428	100.0
69.07047	2.4
71.05003	7.2
71.13371	1.2
71.13688	2.0
78.78109	1.0
79.05492	6.0
81.03416	70.1
81.07055	15.3
83.01324	5.4
83.04945	1.6
85.02905	49.9
85.06508	1.2
87.00828	21.1
87.04465	1.2
91.05482	9.8
93.07038	9.0
94.24016	1.0
95.04928	1.9
95.08604	7.9
97.02889	14.5
99.03849	1.4
99.04450	16.2
105.01865	3.3
105.07027	18.8
107.04937	1.9
107.08568	6.0
109.02870	7.0
109.06533	1.8
111.00761	1.8
115.05462	1.6
117.07026	8.6
119.04907	1.4
119.08578	7.7
121.06520	2.7
121.10107	2.8
123.04427	1.3
127.03916	55.1
128.06209	7.1
129.01828	1.2
129.06990	12.6
130.07761	1.5
131.08571	17.0
133.06509	2.4
133.10155	5.4
135.08061	1.6
135.11678	2.2
137.05919	1.7
141.06995	1.5
142.07765	8.6
143.08559	26.5
144.09358	1.9
145.04912	3.5
145.06435	3.1
145.09048	1.5
145.10118	18.7
146.10895	2.5
147.08014	3.1
149.05981	1.4
151.07521	3.6
155.08519	2.6
156.09337	3.7
157.06499	2.8
157.10144	15.9
159.08011	2.1
159.11714	10.2
161.05965	3.1
161.09604	4.5
170.10890	3.3
171.02879	3.4
171.08025	4.4
171.11641	6.3
173.09618	6.2
175.07533	11.2
175.11139	2.1
180.09323	1.7
185.09708	5.3
185.13246	45.7
187.14828	2.2
189.09126	4.0
189.12743	4.7
195.11678	5.3
201.09111	1.5
202.07747	2.0
203.08875	1.8
203.10675	6.9
203.14374	6.4
213.03903	2.4
213.09161	3.3
213.12724	10.7
231.04926	24.4
231.08060	4.9
231.10147	5.4
231.13794	47.0
231.17369	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.5
55.01853	1.1
55.05496	0.4
56.96322	0.5
56.96565	5.3
57.03426	3.9
58.06593	5.4
59.04987	0.5
59.07372	0.7
59.93320	0.4
60.07886	0.5
60.08163	7.5
60.20066	0.4
61.02637	0.5
61.02925	6.0
67.05514	0.9
68.05021	0.9
69.03433	2.2
70.06588	34.2
71.04987	1.1
71.06924	0.4
71.16083	0.9
72.08167	0.9
73.02906	2.4
75.04477	0.4
81.03402	1.2
81.04552	0.4
81.07020	0.6
82.30674	0.3
83.04958	0.7
84.96037	0.6
85.02888	5.0
86.03682	0.5
86.06024	0.5
87.04445	0.4
88.99119	0.4
91.05471	0.4
93.07033	0.5
95.06113	0.4
96.08118	1.3
97.02867	2.3
98.01308	0.5
98.06055	0.8
98.97585	3.1
99.00835	0.5
99.04453	1.1
101.00855	1.6
101.02377	0.5
109.02840	1.1
110.01286	1.0
110.97560	0.5
111.00219	0.4
113.02351	1.4
114.02633	0.4
114.05525	3.3
114.09162	1.8
116.07098	0.9
116.98609	2.3
117.02022	0.7
117.06988	0.4
119.01905	10.5
120.02027	0.8
124.07588	3.5
126.02541	1.3
126.09177	0.7
127.03910	1.4
128.02269	1.5
128.98630	0.9
129.04071	0.4
129.06996	0.5
131.00131	1.2
131.01865	0.9
133.03456	2.5
134.99652	1.9
135.03082	3.7
137.02946	3.5
140.02339	0.5
141.01285	0.5
141.51366	0.4
142.03526	0.4
142.08624	32.4
142.96538	0.4
143.00157	0.9
144.03607	0.7
144.99828	0.7
145.03442	1.1
145.06485	0.5
146.02274	0.5
146.99617	1.8
147.05086	0.5
148.06482	2.3
149.01178	1.0
150.01765	0.9
150.51938	0.5
151.04541	0.6
155.08273	0.6
157.03496	0.4
158.99702	0.7
159.05014	0.9
161.01221	1.6
161.02942	1.3
161.05583	0.7
163.03932	1.6
165.00755	0.6
168.99826	0.7
169.02518	0.6
170.06097	0.7
170.08125	1.7
170.99588	0.4
171.04973	0.9
173.09496	0.4
175.02576	0.6
175.04507	0.9
176.03235	0.4
177.00696	0.6
177.02438	0.7
177.04379	0.4
183.02039	0.4
183.07681	3.3
183.11475	0.8
183.14948	0.7
186.99355	0.5
187.00885	2.0
187.04495	0.4
188.97052	0.5
189.00612	0.7
190.98705	0.5
191.02211	0.7
193.00209	0.6
197.01146	0.4
199.03470	0.5
201.00702	1.0
201.12781	0.5
204.02933	0.4
207.01752	0.7
211.07513	0.6
213.03404	0.6
215.00374	2.6
219.01770	0.7
219.07138	1.2
220.04218	0.5
229.03230	1.6
229.08374	2.5
229.15462	100.0
230.15794	1.0
233.05147	0.9
237.02863	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1546
Annotation	Pro Ile
Peak:m/z	Relative Intensity
55.01872	0.5
55.05503	0.3
56.23965	0.2
56.96563	3.3
57.03424	0.7
58.06308	0.2
58.06596	4.6
59.07378	1.0
60.08158	6.0
61.02917	0.5
67.05518	0.2
67.05867	0.2
68.05021	0.7
69.03405	0.4
70.06588	26.3
70.65800	0.3
70.66216	0.5
71.04985	0.4
72.08176	0.8
73.02916	0.8
79.05489	0.3
81.03419	0.3
84.04469	0.4
85.02906	1.1
86.09687	0.2
88.99168	0.2
91.05463	0.6
95.04961	0.2
96.08121	1.2
97.02881	0.6
98.06056	0.5
98.97588	3.3
99.04404	0.3
99.97948	0.1
101.00816	0.3
110.01264	0.3
110.97569	0.3
114.05522	2.9
114.09177	1.5
116.07063	0.6
116.98618	2.4
119.01886	1.2
119.04951	0.4
119.29213	0.2
121.06491	0.3
124.07592	2.8
124.25864	0.2
126.09141	0.4
127.03887	0.4
128.02299	0.7
128.98595	0.5
132.00613	0.2
133.03481	0.3
134.99617	1.5
137.02893	0.4
137.05992	1.4
142.08624	24.9
143.00125	0.3
145.03474	0.2
146.99658	0.6
147.04405	0.7
148.07567	0.2
149.02928	0.3
153.00647	0.3
155.00072	0.2
157.02599	0.3
158.99596	0.6
160.06345	0.2
161.01219	0.5
161.02832	0.2
163.03922	0.6
165.00742	0.2
169.02640	0.2
170.05153	0.3
170.08121	1.3
172.95187	0.3
173.09291	0.2
177.00677	0.8
178.03600	0.2
179.07042	0.3
184.03116	0.3
186.99176	0.2
187.00819	0.2
187.04419	0.4
189.00722	0.4
193.09727	0.2
205.00258	0.2
206.07112	0.2
207.05292	0.4
208.04822	0.5
211.10832	0.3
215.00388	0.2
217.05408	1.0
219.01869	0.2
220.04080	0.4
223.01216	0.2
224.08003	0.4
229.15457	100.0
230.15764	1.1
233.05016	0.4
237.02878	0.4
248.08098	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1641
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17505	0.6
51.36518	0.5
53.00293	0.5
53.03944	1.7
55.05510	3.4
56.02646	1.1
56.96571	3.1
58.66798	0.6
65.03946	1.3
67.05504	21.7
69.03428	0.6
69.07070	3.7
71.04992	100.0
71.59208	0.8
73.02915	0.6
79.05494	9.2
81.07058	29.7
83.04989	1.6
83.08611	2.6
85.06541	2.1
91.05475	5.5
93.07043	16.0
95.04975	1.7
95.08610	15.6
97.06538	4.2
97.10180	1.2
97.21573	0.5
98.97612	0.6
99.04461	0.7
99.08102	1.6
100.11275	2.3
105.07043	2.6
107.08585	7.2
109.06527	1.1
109.10154	6.5
109.48896	0.6
111.08124	2.7
112.79702	0.6
113.06041	0.8
117.07031	3.0
119.04956	1.3
119.08603	1.4
121.06456	1.0
121.10159	2.1
123.08068	0.6
123.11738	0.8
131.08548	3.3
131.97435	0.9
133.10123	6.0
135.08055	0.7
135.11705	10.4
147.04408	6.7
149.09604	0.6
149.13255	5.7
159.11673	7.2
161.13280	1.1
163.03886	2.9
167.07077	3.9
175.14801	1.0
177.05476	1.1
177.09547	0.6
177.12773	3.3
195.13838	2.4
209.15231	2.8
217.07564	0.7
227.07123	0.7
227.09177	1.1
227.12759	0.9
227.17874	1.1
237.00792	1.2
239.02211	0.7
243.08974	0.6
247.60446	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	228.0962
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96563	8.0
57.07075	16.9
60.08163	23.8
61.79494	7.8
65.29849	7.6
67.05500	21.2
69.07069	9.7
81.07077	13.6
85.06551	8.6
91.05504	8.2
95.08610	26.8
109.10165	10.0
110.10524	6.9
119.04916	8.1
144.06822	7.2
147.04428	19.5
168.05780	12.7
175.14777	11.8
202.92021	8.2
228.06667	8.5
228.23267	90.6
228.26816	100.0
229.08575	70.2
229.20694	8.3
241.88683	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	229.0652
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.9
55.01856	1.5
55.05495	0.8
56.96561	17.2
57.03436	6.0
58.06595	5.4
59.04982	1.7
59.07368	1.2
60.07877	0.4
60.08163	6.4
61.02921	6.9
67.05494	0.8
68.05019	1.5
69.03071	0.6
69.03423	8.9
69.78660	2.5
70.03745	0.5
70.06588	33.3
70.98119	0.8
71.04981	2.8
71.95236	0.4
72.08147	1.6
73.02918	6.5
74.97623	0.5
77.00893	0.4
79.05496	0.9
81.03418	3.7
81.04553	0.5
83.04967	1.4
84.04485	1.6
84.08127	1.2
84.96028	1.7
85.02898	13.3
85.06546	0.5
86.03219	0.7
86.06066	1.0
86.09704	0.6
87.04470	2.0
88.99152	1.0
89.00836	0.4
90.01537	0.9
91.03970	1.0
91.05474	2.0
91.34227	0.5
92.01266	0.9
93.07037	0.6
94.04159	0.5
95.04961	1.1
95.06084	1.4
96.01520	0.5
96.08142	2.1
97.02330	0.6
97.02885	9.7
97.96790	0.6
98.01285	1.0
98.03188	0.8
98.03985	0.6
98.06026	0.9
98.29644	0.4
98.97578	17.9
99.04446	2.7
100.02505	0.4
101.00867	3.0
101.03422	0.4
101.06042	0.6
104.01273	1.4
104.03114	0.5
105.02110	0.5
105.07017	0.5
106.01044	0.5
106.02866	0.6
107.04971	0.5
109.02895	2.6
110.01262	1.8
110.03140	0.5
110.03967	1.5
110.53938	0.4
110.97580	2.2
111.02029	0.4
112.02807	0.7
112.99123	2.0
113.01797	0.4
114.05515	3.9
114.09157	2.0
115.00675	0.4
115.02390	1.0
116.01250	0.5
116.07078	1.4
116.98618	12.7
117.02054	0.5
118.00996	0.8
118.02817	0.8
119.00155	0.5
119.01892	15.8
119.03616	0.7
119.04971	0.5
119.51989	0.6
120.01948	0.7
120.33814	0.5
121.06505	0.5
122.03662	0.8
123.04449	0.4
124.07574	2.5
124.99131	0.6
126.02549	0.7
127.01549	0.7
127.03945	4.0
127.04876	0.6
128.02307	5.3
128.98593	4.9
129.02199	0.5
131.00174	3.6
131.01822	2.0
133.01683	2.8
133.03453	4.3
133.07782	0.4
133.98912	0.5
134.01248	0.6
134.02187	0.5
134.99657	6.4
135.03085	0.8
137.02933	4.7
137.04504	0.5
137.05972	11.4
138.06290	0.8
139.03310	1.7
139.06035	0.7
140.00131	0.5
140.02229	0.9
141.01218	0.6
141.04832	0.4
142.08627	31.2
143.00185	1.4
143.01877	1.5
144.98045	0.5
144.99799	0.9
145.01593	0.6
145.03424	1.1
145.04945	1.3
146.02310	0.8
146.99663	4.7
147.01321	0.9
147.03220	1.3
147.04422	1.1
148.02089	0.6
148.03859	10.1
148.06561	6.0
148.53986	1.1
148.56731	0.9
149.01227	3.5
151.02789	1.4
151.04543	0.9
152.07024	0.5
153.00787	0.8
153.03117	0.6
155.02841	0.9
157.02512	0.8
157.04417	8.2
157.52812	0.4
157.54599	0.7
158.99652	4.0
159.01172	0.7
159.03279	0.8
159.04987	1.8
159.54770	0.8
160.02048	0.6
160.97591	0.5
161.01262	2.5
161.02863	2.9
161.04436	0.8
161.05701	2.5
161.55605	0.7
162.01756	1.2
162.03064	0.4
162.99161	0.8
163.02666	0.7
163.04344	0.5
165.00723	1.3
168.55257	0.8
168.99796	1.1
169.02608	1.3
169.04434	3.0
169.54633	0.9
170.03532	0.6
170.05040	8.2
170.08121	1.9
170.55299	0.9
170.99606	1.1
171.02428	0.5
171.05034	1.2
172.03836	1.1
173.01158	0.7
173.02745	0.6
174.01801	0.5
174.99170	0.6
175.02705	1.9
175.04297	0.7
177.00703	5.1
177.02313	1.3
177.04260	1.4
177.06056	1.3
177.52556	0.5
178.04958	9.7
178.55095	0.9
181.55913	0.9
182.03299	1.0
183.02290	1.1
183.11365	2.1
183.14908	0.6
184.03241	0.7
184.04942	1.7
185.06549	0.5
186.96870	0.5
186.99065	1.1
187.00842	3.0
187.02547	1.0
187.04448	1.7
189.00755	2.4
189.06039	0.4
189.55754	1.2
190.03029	0.8
190.04626	0.5
191.02234	0.9
191.03885	1.4
192.02821	1.1
193.03847	1.6
195.01695	0.6
195.07103	1.1
196.99370	0.8
197.01060	0.6
199.03760	0.9
199.05573	0.7
201.00722	1.6
201.06142	0.4
202.04930	1.0
204.02881	1.0
205.00090	0.9
205.01915	0.9
205.03848	0.8
205.05759	0.7
206.07095	0.4
207.01714	1.0
208.04936	4.4
208.55058	1.2
211.05330	0.9
211.10811	1.0
213.03323	0.9
213.05531	0.5
215.00345	3.3
217.00092	0.5
217.05508	0.7
219.01707	3.0
219.07091	2.8
220.03986	0.8
220.05934	7.1
220.07855	0.6
220.56110	1.0
223.01190	0.6
224.08118	1.2
228.56233	0.7
229.06514	3.3
229.08524	1.8
229.11780	3.6
229.15457	100.0
229.56523	0.5
229.58530	0.6
235.02791	0.9
237.02837	3.2
248.99245	0.5
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	Annuionone G
Peak:m/z	Relative Intensity
50.04882	2.0
53.03916	1.9
55.05505	16.6
57.03425	7.1
57.07077	10.7
59.04999	3.9
67.05500	18.0
67.24672	1.6
69.03419	5.8
69.07066	26.8
70.59967	6.3
71.01348	3.3
71.04994	12.0
71.67786	1.8
79.05485	15.0
81.07059	30.0
83.04964	7.8
83.08614	11.3
85.06521	8.5
91.05460	14.2
93.07043	33.3
94.95906	2.2
95.04961	14.4
95.08606	52.3
97.06541	14.2
97.10165	7.5
98.21539	2.2
99.04447	4.6
99.08084	7.4
100.11258	5.9
101.06034	3.3
103.05444	2.3
105.03411	2.7
105.07021	22.3
107.04961	3.3
107.08591	61.5
109.06509	8.0
109.10168	35.5
111.04430	2.3
111.08076	8.9
117.07010	2.3
119.08569	10.1
121.06505	7.3
121.10139	68.2
122.41872	2.1
123.08057	15.4
123.11723	13.2
125.05937	3.0
125.09621	21.0
127.07568	3.4
127.11189	43.6
131.08565	10.0
133.10132	48.2
135.08063	22.1
135.11696	17.4
137.05998	2.4
137.09633	28.7
137.13257	34.3
139.07516	3.0
139.11177	5.9
143.08559	4.4
145.10118	8.7
147.11685	8.4
149.05969	2.6
149.09625	100.0
149.13240	32.4
150.09943	2.4
151.11189	16.4
153.09135	15.9
158.10928	5.9
158.99709	2.1
163.11162	5.1
163.14833	36.3
165.12755	20.9
167.07033	27.5
167.14313	4.9
173.13272	43.5
177.05423	5.1
191.10698	3.1
191.14307	64.5
191.16063	3.1
195.06493	2.9
209.08028	4.9
209.15343	44.2
227.07031	3.4
227.10684	3.5
227.16415	35.5
247.99887	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	227.1277
Annotation	11-Hydroxyjasmonic acid
Peak:m/z	Relative Intensity
53.03932	2.3
55.01873	4.1
55.05502	7.9
56.96554	1.4
57.03426	1.2
57.07067	1.1
59.04988	2.8
59.24064	0.6
64.63537	0.6
65.03916	0.7
67.05504	9.2
67.16943	0.6
68.05014	1.0
68.05827	1.3
69.03410	2.6
69.07070	7.1
69.55466	0.6
70.06583	1.5
71.04966	2.1
71.26635	0.8
71.26981	1.0
73.02888	1.7
78.04727	3.1
79.05489	13.6
80.05820	0.7
81.03406	2.5
81.07063	14.3
82.07355	0.7
83.04987	3.0
83.08618	6.8
85.02908	0.8
85.06522	1.8
86.06046	2.2
87.06380	1.0
87.94524	0.7
89.03959	0.8
91.05478	11.4
93.03385	1.0
93.07043	21.5
94.61950	0.6
95.04964	6.6
95.08601	23.3
97.02880	2.8
97.06519	3.5
97.10165	1.8
98.97594	0.8
99.04436	2.7
100.11257	5.2
103.05462	6.0
105.04537	0.6
105.07041	4.2
106.04173	1.4
107.04955	7.0
107.08590	17.9
108.08138	1.6
108.08920	0.8
109.06512	4.2
109.08447	2.1
109.10136	2.6
110.06040	12.5
110.06776	1.3
111.04408	1.5
111.06362	13.1
111.08070	2.3
113.96442	0.9
116.98585	1.6
117.07015	3.3
119.04922	2.1
119.08576	4.7
121.06505	14.2
121.10135	8.9
122.10503	1.1
123.04446	8.3
123.08036	1.3
123.11728	1.3
124.05188	2.9
125.05977	3.0
125.09615	8.0
126.09132	0.7
130.07797	1.0
131.04915	5.1
131.08577	1.2
133.02820	0.7
133.10124	1.6
134.03636	2.2
134.99689	1.2
135.04436	1.8
135.08017	1.6
135.11685	22.1
137.05971	8.2
138.38614	0.6
139.07521	1.3
139.11171	5.4
139.13063	1.5
140.04697	4.1
143.08556	1.3
145.02818	1.4
145.10118	11.6
147.04379	4.0
148.05099	1.4
149.05971	15.3
149.09621	6.6
149.11557	1.2
150.09937	3.3
151.03931	1.1
151.11096	0.8
152.04660	2.4
153.12701	0.9
155.07028	2.8
157.10130	1.3
159.04446	3.2
163.03914	1.5
163.11177	28.7
165.07047	0.9
166.06297	0.8
166.12173	0.8
167.07034	100.0
167.10683	14.6
167.12529	3.1
168.07338	1.3
168.11029	1.0
171.08028	0.7
173.08174	0.7
173.09619	0.8
177.05460	29.8
178.05815	0.8
181.04982	1.6
181.08566	1.5
181.12216	6.3
185.02522	0.6
191.06989	1.9
194.05783	0.9
199.07523	1.1
209.08047	9.7
209.09561	0.8
209.10112	0.8
209.11736	2.7
209.13480	1.2
209.15280	1.1
227.07005	2.9
227.09090	1.8
227.12743	38.2
227.14734	46.4
227.17560	2.1
227.47484	0.7
243.09158	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0913
Annotation	Ficusol
Peak:m/z	Relative Intensity
51.02369	0.3
53.00520	0.3
53.03942	1.3
55.01860	0.9
55.05521	0.8
55.08197	0.3
67.05510	0.8
69.03414	0.5
69.07050	0.8
69.15572	0.3
70.15678	2.0
70.32545	0.4
71.04993	1.9
73.02895	0.5
77.03930	0.4
78.04705	2.5
79.05486	2.0
81.03419	0.6
81.07044	1.5
83.04981	0.8
85.06544	0.4
87.45563	0.4
89.03909	1.1
91.04960	0.5
91.05477	4.9
91.71436	0.3
93.07038	4.5
95.04959	3.0
95.08618	0.7
99.04456	4.8
99.08102	0.5
100.11234	1.1
103.05461	6.6
105.03355	0.4
105.07011	0.6
106.04185	2.0
107.04967	2.9
107.08596	1.2
108.04307	0.3
109.06500	1.2
109.10147	2.1
111.08097	0.4
113.09636	0.4
116.98614	0.4
117.03377	0.9
119.04945	1.0
120.05695	0.4
121.06507	12.1
121.10144	1.1
122.03635	0.7
123.04439	5.7
123.08040	0.8
123.11730	0.8
124.05233	2.4
125.02322	0.4
125.09655	1.0
127.11170	0.4
131.04932	5.2
133.02840	1.0
133.10110	1.2
134.03670	1.9
135.04459	2.1
135.11613	0.5
137.05981	8.2
137.09596	0.4
139.11139	0.4
140.04697	2.9
144.74951	0.3
145.02852	0.9
147.04398	0.9
148.05190	1.8
149.05980	14.3
149.09610	3.8
149.13252	0.6
150.87560	0.3
151.03915	1.5
151.11148	1.0
152.04648	2.1
155.07050	1.6
156.97632	0.4
159.04430	3.6
162.03116	0.4
163.03941	0.7
163.07535	0.6
165.05475	0.7
167.07040	100.0
168.07425	1.6
169.12242	0.9
173.13300	0.5
176.04701	0.4
177.05473	27.3
178.06032	0.5
179.06993	0.5
180.07832	0.7
181.08623	1.3
183.06595	0.5
183.13815	1.0
191.07001	1.2
191.14461	0.5
194.05701	0.8
195.06494	0.8
197.08122	0.7
207.62801	0.3
209.08102	9.4
209.15326	2.0
210.08322	0.4
227.09009	2.3
227.16513	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0912
Annotation	Massarigenin B
Peak:m/z	Relative Intensity
53.03946	1.4
55.01867	5.5
55.05494	2.5
56.96561	1.0
57.03416	0.7
57.07082	0.8
65.03938	5.5
67.05498	3.8
69.03434	2.0
69.07076	2.2
69.28923	5.7
71.05004	1.2
73.02914	36.9
77.44122	0.5
79.05492	2.8
81.03428	0.8
81.07067	1.9
82.04182	2.5
83.04995	1.6
83.08620	1.4
85.02891	4.1
85.06551	0.8
91.03952	1.5
91.05450	3.5
92.52176	0.6
93.03413	2.0
93.07041	6.9
94.07401	0.8
95.04965	6.6
95.08622	2.7
97.02890	0.7
97.06532	3.6
98.97586	7.7
99.04422	0.5
99.97920	0.5
100.11253	4.7
103.05482	0.9
105.07030	0.8
107.05009	1.2
107.08581	7.1
108.02083	1.0
109.06538	1.0
109.10165	2.0
110.03646	3.1
111.04459	2.4
116.98617	4.8
119.08602	0.7
120.89368	0.5
121.06528	1.5
121.10140	1.6
123.04421	9.3
123.26743	0.5
125.02338	2.3
125.05966	2.8
125.09656	0.8
127.03913	0.9
131.08601	0.6
133.10147	1.4
134.99660	1.5
135.08078	0.9
135.11671	3.3
137.06020	0.6
138.03134	2.0
139.03922	0.6
140.04677	48.3
142.02629	2.7
149.05919	1.3
149.09682	1.1
149.13278	0.9
151.11189	0.9
153.01840	0.7
153.05473	1.7
153.09108	1.2
153.12709	1.9
155.07024	71.2
158.99626	3.8
163.14850	0.7
167.07013	3.9
171.06525	7.7
173.08109	6.7
173.13283	0.8
177.00710	7.6
177.05479	1.1
179.06998	3.1
181.04950	100.0
181.08307	3.7
182.05338	1.1
186.07269	1.1
191.10664	0.6
191.14275	0.9
195.01677	0.7
195.07797	3.8
195.58002	0.7
199.07616	0.5
206.58482	0.7
209.04572	1.3
209.08089	24.7
209.15189	1.1
219.01755	1.2
227.07123	1.3
227.09119	28.6
227.16463	1.9
245.07814	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0913
Annotation	Ficusol
Peak:m/z	Relative Intensity
52.30360	0.3
53.03934	0.9
55.01865	0.7
55.05494	0.9
66.15277	0.3
66.33114	0.3
66.41467	0.3
67.05490	0.4
69.07058	1.2
71.28181	0.8
73.02914	0.3
77.03886	0.3
78.04708	2.9
79.05488	2.0
80.88122	0.3
81.03461	0.3
81.07034	1.2
83.04958	0.3
83.08603	0.7
85.06546	0.3
85.89680	0.3
89.03901	1.1
91.05480	6.0
93.07043	3.9
95.04962	2.7
95.08592	0.7
100.11254	1.6
103.05457	6.1
105.03382	0.4
105.04494	0.5
106.04162	1.6
107.04956	3.2
107.08580	0.7
109.02808	0.3
109.06499	0.9
109.10119	0.5
117.03346	1.0
119.04949	1.5
120.05705	0.6
121.06499	12.2
121.10094	0.5
122.03637	1.2
123.04417	6.6
124.05212	2.6
125.09502	0.3
128.06189	0.4
130.63098	0.3
131.04927	4.9
133.02873	1.0
133.10112	0.3
134.03648	1.6
134.04495	0.3
135.04428	1.3
135.11681	0.3
137.05977	8.6
140.04674	3.3
143.08537	0.3
145.02821	1.1
145.10120	0.4
147.04401	1.2
148.05183	2.2
149.05977	14.5
151.03888	1.4
152.04675	2.3
155.07042	1.8
157.10088	0.4
159.04437	3.5
159.40758	0.3
162.03047	0.4
163.03923	1.1
163.07582	0.5
165.05478	1.0
166.06238	0.5
167.07033	100.0
168.07399	1.4
173.08279	0.3
176.04599	0.8
177.05466	27.2
178.05981	0.8
180.07788	0.4
181.08601	0.9
183.06541	0.4
184.05229	1.4
191.07068	1.3
194.05751	0.9
195.06462	0.5
197.08119	0.3
209.08076	8.7
212.04689	1.2
227.06978	2.6
227.09178	2.7
227.12643	0.4
227.17793	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	226.1437
Annotation	Prenalterol
Peak:m/z	Relative Intensity
53.03951	0.4
55.01889	0.5
55.05516	1.9
58.06599	1.0
59.05001	5.6
59.07992	0.4
60.04512	0.8
67.05505	3.8
68.05029	0.9
69.07078	1.1
70.06583	3.7
70.72330	1.2
71.05004	0.5
79.05499	1.9
81.07046	3.0
82.06586	1.4
83.04979	0.4
83.08619	2.2
84.04539	0.4
86.06063	7.3
86.46119	0.3
91.05495	1.2
93.07021	1.8
95.08607	1.3
96.08111	0.9
97.06527	0.9
98.06063	0.5
98.09663	0.8
102.24737	0.4
105.07037	1.0
107.04946	1.2
107.08562	2.4
108.08114	9.5
109.06506	1.3
109.10159	0.6
110.06042	53.9
111.06839	3.0
119.08612	0.4
120.05561	0.4
121.06509	0.5
121.10134	3.7
122.09663	0.7
123.08064	1.4
123.11710	0.8
124.07578	1.6
124.11220	0.8
125.09650	2.2
126.09171	2.1
128.07056	2.6
131.08600	0.7
135.11627	0.6
136.81917	0.4
138.09044	0.4
138.12788	2.3
139.11169	1.0
148.11237	1.5
149.05998	0.5
149.09615	6.6
164.24750	0.4
166.12276	6.8
167.07054	3.1
167.10709	2.9
177.05450	0.9
184.13318	0.8
208.13258	2.2
226.14374	100.0
227.14745	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0913
Annotation	Ficusol
Peak:m/z	Relative Intensity
53.03942	0.8
55.01856	1.5
55.05495	1.6
56.96542	0.4
61.29423	0.4
65.03931	0.7
67.05484	0.9
69.07050	1.2
71.04965	0.7
71.62538	0.7
78.04711	2.3
78.55402	0.5
79.05488	1.8
81.07040	1.7
83.04982	0.4
83.08604	1.4
89.03912	0.7
91.05482	6.1
93.07039	4.5
95.04986	2.9
95.08595	1.6
98.97589	0.6
100.11263	2.1
103.05471	5.7
105.03364	0.6
105.06992	0.5
106.04163	1.8
107.04951	3.4
107.08572	1.5
109.06504	1.4
109.10175	0.9
110.25661	0.4
111.08089	1.6
116.98574	0.5
119.04917	1.3
119.08544	0.6
121.06503	11.0
121.10099	0.9
122.03606	0.5
123.04416	5.4
123.11713	0.6
124.05206	1.8
125.09636	0.5
131.04945	5.2
133.02843	1.2
133.10147	0.9
134.03598	1.6
135.04408	1.3
135.11684	0.9
137.05975	7.9
140.04692	2.9
143.08615	0.5
145.02834	1.1
145.10187	0.5
147.04425	1.0
148.05183	1.7
149.05980	14.5
151.03876	0.9
152.04678	1.3
153.09079	1.3
155.07028	1.9
158.63710	0.4
158.99622	0.5
159.04387	3.2
163.03859	1.0
165.05482	1.0
167.07036	100.0
168.07385	1.7
169.08646	2.1
170.70651	0.5
176.04680	0.9
177.00677	0.7
177.05466	26.6
178.05952	0.6
180.07936	0.6
181.08629	1.0
183.06490	0.6
185.11667	0.5
191.07025	1.3
194.05801	1.2
195.06418	0.9
195.08270	0.4
195.10139	1.5
197.07999	0.5
209.08099	9.6
227.06955	1.1
227.09128	2.8
227.12767	0.9
227.17752	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1484
Annotation	Sundiversifolide
Peak:m/z	Relative Intensity
55.01867	6.5
55.05495	11.4
57.03425	3.2
57.07061	6.0
59.04988	2.4
67.05499	21.7
68.99740	3.0
69.03425	8.0
69.07063	13.5
71.01326	4.0
71.04990	24.1
71.58929	5.3
79.05469	16.9
81.07055	32.9
83.04984	16.5
83.08615	5.6
85.02931	13.8
85.06538	7.5
90.44444	2.4
91.05475	29.0
93.07043	32.5
95.04977	15.5
95.08598	40.0
97.06526	16.0
97.10209	3.5
99.04456	28.0
105.03384	7.4
105.07014	34.9
107.04974	8.0
107.08594	43.1
109.06510	40.7
109.10165	25.7
111.04468	3.9
111.08065	17.1
119.04948	10.4
119.08582	48.3
120.05606	3.1
121.06480	4.4
121.10136	61.2
123.04415	6.1
123.08062	34.0
123.11707	14.3
125.05979	3.6
125.09632	13.5
131.08586	12.4
133.02832	2.6
133.06436	4.1
133.10109	14.6
135.08052	6.1
135.11664	16.8
137.05968	7.5
137.09601	21.0
137.13284	9.8
139.07521	3.6
141.09113	32.3
143.08551	6.9
145.10132	6.9
147.04433	6.1
147.08020	11.3
147.11694	28.9
149.09618	100.0
151.07504	12.2
151.11127	4.8
153.12688	4.5
156.09332	9.5
159.11691	12.6
161.09596	6.1
161.13261	32.9
163.03859	2.5
163.11182	15.3
165.05469	4.6
165.06966	2.9
165.09106	12.5
165.12755	12.3
167.06992	13.3
167.10675	10.2
169.08580	6.6
171.11693	14.1
174.10435	4.2
175.03903	7.9
177.12769	7.0
179.07039	5.4
179.10645	2.7
179.14294	11.1
180.04158	6.7
183.06587	3.2
189.09081	3.6
189.12733	48.7
192.04169	3.6
193.04869	6.6
197.07971	2.5
207.06499	14.6
207.13791	65.0
207.68556	2.7
225.07359	5.7
225.09137	10.5
225.11247	3.2
225.14865	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	225.1484
Annotation	Sundiversifolide
Peak:m/z	Relative Intensity
53.03938	1.6
55.01852	1.3
55.05495	4.4
57.03434	1.1
57.07071	2.0
59.04996	1.9
61.73301	1.0
67.05499	5.3
69.03426	2.3
69.07070	5.1
70.11182	4.6
71.01357	12.3
71.05000	7.9
79.05482	6.5
81.07040	10.4
83.04974	4.6
83.08604	2.3
85.02901	4.7
85.06525	1.8
91.05479	7.5
93.07040	14.9
95.04951	4.0
95.08608	18.0
97.06522	3.5
98.21410	1.9
98.54225	1.0
98.97585	2.0
99.04456	12.3
101.06004	2.4
105.03362	1.2
105.07031	13.0
105.19819	1.0
107.04954	2.1
107.08590	30.4
109.06513	5.7
109.10160	11.9
111.04424	1.8
111.08057	3.1
116.98666	2.5
117.07009	1.5
119.04955	2.0
119.08577	14.6
121.06491	2.3
121.10145	24.2
123.08076	12.3
123.11688	7.2
125.09636	4.2
131.08560	3.3
133.06543	1.4
133.10112	3.8
134.71393	1.1
135.08054	2.4
135.11685	10.9
137.06009	1.8
137.09641	10.2
137.12299	1.9
137.13242	19.6
139.11198	1.9
145.10146	3.2
147.08018	3.9
147.11673	17.2
149.09616	100.0
150.09973	1.2
151.07561	5.0
151.11263	1.5
153.09096	1.9
153.12761	8.0
156.09282	2.4
158.99530	1.1
159.08051	1.2
159.11597	1.1
161.09546	2.8
161.13257	12.1
163.11179	3.6
165.05478	1.4
165.09090	2.3
165.12746	7.8
167.10713	5.8
171.11685	4.1
174.10413	2.0
175.03986	1.2
177.00662	2.6
179.14293	2.5
181.12225	1.9
183.13788	3.0
189.12744	26.8
195.13843	1.5
207.06522	2.7
207.13799	28.0
214.08614	2.0
225.07378	1.1
225.09315	1.6
225.14841	14.7
225.18536	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1483
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
53.03963	1.3
55.05511	9.3
55.88102	0.9
57.07082	1.9
59.05001	2.6
67.05506	12.6
69.03415	1.0
69.07051	2.0
69.78268	4.2
69.78678	2.2
71.05008	2.5
76.37514	1.0
79.05499	2.4
81.07047	8.4
83.04981	3.2
85.02904	29.0
85.06543	3.4
91.05486	3.2
93.07060	5.9
95.04983	2.4
95.08604	37.9
97.06528	1.7
97.10160	1.7
98.97594	1.2
99.04462	2.9
99.08112	1.0
101.06030	1.0
105.07024	4.4
107.08593	8.0
109.06519	5.4
109.10151	8.8
111.08144	1.0
113.05999	3.1
119.08584	9.7
121.06488	1.9
121.10141	10.4
122.07265	1.5
123.08075	20.0
123.11702	24.8
125.05936	2.3
125.09663	1.1
131.08600	1.5
131.94229	1.0
133.10110	1.8
135.08002	4.8
135.11716	4.1
137.06065	1.0
137.09627	15.5
137.13261	1.5
138.90802	0.9
139.07565	1.0
141.09138	2.2
141.55310	0.9
147.08026	2.1
147.11688	6.5
149.09612	20.9
149.10751	1.8
151.07561	9.5
152.08366	2.6
153.09099	12.0
156.09325	1.8
161.02980	1.2
161.09595	1.2
161.13234	5.9
163.11130	1.3
165.09116	100.0
165.12767	5.5
166.09485	1.4
171.11684	1.0
179.14299	3.5
180.33492	1.0
184.05562	1.7
189.12737	10.4
193.06224	2.6
195.28534	1.1
207.13792	37.4
225.14851	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	225.1484
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
53.03956	2.2
55.01868	2.3
55.05514	9.6
57.03432	2.3
57.07077	2.0
61.02933	3.3
65.03946	2.8
67.05503	12.6
69.03442	4.1
69.07072	8.1
71.04990	9.9
71.32890	4.0
79.05495	10.5
81.03414	3.6
81.07058	19.1
83.04971	7.4
83.08591	3.8
85.02863	2.8
85.06526	3.0
91.05482	25.3
93.07036	16.9
95.04966	7.5
95.08601	22.4
97.06532	5.0
97.10176	2.4
99.04455	9.9
99.08079	6.2
105.03439	1.9
105.07026	31.4
107.04933	3.6
107.08585	21.0
109.06538	11.6
109.10176	10.8
111.08080	2.1
116.98592	1.8
117.07035	2.9
119.04951	6.4
119.08577	98.8
121.06498	2.2
121.10141	21.5
123.04410	4.9
123.08099	8.7
123.11666	5.2
125.05987	2.6
125.09618	2.2
129.07042	2.5
131.08563	27.9
133.06477	5.5
133.10127	10.4
135.08028	2.6
137.05951	7.1
137.09612	8.4
143.08559	4.2
143.10680	2.3
145.10129	15.7
147.04405	3.8
147.08031	5.3
147.11676	18.2
148.12065	2.2
149.09621	100.0
151.03883	2.9
151.07533	8.7
151.11276	1.7
153.05434	5.4
156.09355	17.2
159.08040	2.5
159.11670	15.4
161.09666	4.0
161.13248	27.7
165.05496	3.6
165.06967	1.9
165.09119	38.3
165.12784	5.4
167.07057	16.4
171.11678	24.3
174.10378	3.8
175.03903	5.5
177.12875	1.9
180.04144	3.3
181.04909	1.9
181.12242	2.6
182.05756	2.2
189.12726	45.6
192.04185	4.3
193.04886	2.6
193.08629	4.6
197.05817	1.8
202.68240	1.7
202.71967	1.7
207.06483	10.0
207.13811	18.9
225.07324	2.4
225.09245	4.0
225.14871	7.3
225.22192	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	225.1483
Annotation	Sundiversifolide
Peak:m/z	Relative Intensity
55.05496	4.9
57.03451	1.7
57.07069	2.0
67.05490	5.6
69.03396	3.6
69.07071	6.9
69.83533	9.3
70.22167	1.3
71.01353	12.6
71.04996	12.4
79.05506	7.4
81.07065	11.8
83.04969	4.7
83.08601	2.5
85.02888	5.0
85.06519	1.7
91.05472	6.3
93.07043	12.9
95.04971	6.4
95.08613	19.0
97.06527	3.2
98.97574	2.2
99.04446	10.6
99.53352	1.4
104.75105	1.4
105.07040	13.6
107.04922	2.6
107.08594	25.7
109.06532	8.3
109.10174	9.9
111.04435	2.0
111.08073	2.4
116.98593	2.7
119.04942	4.1
119.08583	15.0
121.06486	1.6
121.09325	2.1
121.10148	28.9
123.08067	15.5
123.11700	8.4
125.09641	4.4
131.08572	4.9
133.06488	2.2
133.10158	7.9
135.08061	2.6
135.11693	12.2
137.05997	2.0
137.09645	8.0
137.13257	20.8
143.08531	2.4
145.10146	3.4
147.08089	2.6
147.11679	13.3
149.09622	100.0
151.07506	6.9
153.12776	7.3
158.99727	1.8
161.09615	3.4
161.13268	12.6
163.11082	3.6
165.05296	1.4
165.12759	7.2
167.10677	4.7
171.11681	5.4
174.10425	3.1
177.00684	1.7
178.39929	1.5
179.14316	4.5
181.12288	1.8
182.05832	1.7
183.13875	2.4
189.12746	39.0
201.83235	1.6
207.06505	1.8
207.13805	34.4
225.14816	14.4
229.25131	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	224.0918
Annotation	N-acetyl-DL-tyrosine
Peak:m/z	Relative Intensity
56.96577	0.4
60.04525	57.2
65.03943	0.5
71.25715	1.0
75.48739	0.4
79.05505	0.4
86.42020	0.4
91.05479	100.0
92.05795	0.7
103.05470	3.7
106.06561	4.2
109.10145	0.7
118.06546	11.5
119.04939	21.6
121.06523	0.8
136.07578	20.9
147.04404	2.9
148.07547	1.1
150.45502	0.4
164.07043	0.6
165.05444	2.8
177.00623	0.6
178.08632	13.2
182.06628	0.7
182.08124	7.9
203.07431	0.4
206.08133	1.1
223.06342	0.4
224.09210	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	224.128
Annotation	Maokonine
Peak:m/z	Relative Intensity
53.03929	1.3
55.01841	1.2
55.05509	1.4
56.05025	0.9
56.96548	3.2
57.15095	0.9
58.06605	3.9
58.63479	0.8
59.04998	1.4
60.04521	43.2
67.05487	1.7
68.05009	2.4
69.03412	3.5
69.07050	1.2
69.49072	3.7
69.49499	3.1
70.06572	1.1
71.04985	1.5
73.02905	1.5
73.85555	0.8
76.18180	0.9
79.05479	6.0
80.04967	0.8
81.03410	1.2
81.07036	2.5
82.06551	1.3
82.29763	0.7
83.04954	1.5
83.06100	1.4
84.08129	1.3
85.02892	2.5
91.05474	87.0
92.05785	1.8
92.66562	0.7
93.07031	2.7
95.04957	2.0
95.08611	1.8
97.02933	3.8
97.06513	1.3
97.07665	1.0
98.20740	1.3
98.97564	3.2
99.04449	1.3
103.05462	14.6
105.07023	35.5
106.06582	3.9
107.04938	5.8
107.08571	1.8
109.06483	1.3
109.07623	1.0
109.10174	1.7
111.07974	0.9
115.05434	1.0
116.98605	2.9
117.05752	1.1
117.07085	1.0
118.06538	23.4
119.01847	0.8
119.04945	18.8
119.07330	1.9
119.08569	1.3
120.08099	22.1
121.06467	1.6
121.10195	1.1
123.04422	1.1
123.08044	2.5
125.05995	1.6
128.06204	4.8
130.06538	2.7
131.04890	4.5
131.07262	3.1
131.08502	1.9
132.08064	1.8
134.99675	2.0
136.06531	1.2
136.07562	20.3
136.08551	1.7
137.05978	1.7
137.09592	1.7
139.08658	0.9
143.08545	3.7
145.06409	0.9
147.04405	4.3
148.07544	1.2
149.02339	1.0
149.05980	1.0
150.02676	1.2
158.99675	1.4
160.11208	100.0
161.11539	1.0
163.11180	1.3
165.05443	2.9
177.00679	1.8
178.08694	9.2
178.12253	93.9
179.12796	1.3
182.08101	6.5
194.06999	1.3
203.07535	5.8
203.57721	0.9
206.08257	1.4
206.09998	1.5
206.11749	14.1
207.06477	1.3
212.08049	2.3
214.58397	1.3
219.01753	2.0
224.07018	1.4
224.09169	4.3
224.12811	50.2
225.04234	1.5
226.04306	3.4
228.02283	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.072
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96557	1.5
66.77503	1.3
68.53226	1.5
69.90069	9.4
78.22602	1.5
84.96027	4.1
98.97564	2.1
101.00867	13.6
116.98634	2.5
119.01919	100.0
120.02039	4.5
122.58642	1.3
124.02480	4.7
134.99754	2.5
137.02956	39.3
140.62343	1.4
140.96609	1.5
142.03493	62.6
143.03674	2.1
154.28040	1.2
160.04553	25.3
161.02953	17.0
165.05125	2.6
177.00949	20.4
178.01065	2.3
179.04012	29.6
182.99713	2.9
184.04628	3.4
187.99268	7.5
188.49355	3.3
190.49474	3.0
199.50072	46.1
200.00087	17.0
200.50061	3.4
201.00656	3.7
202.00356	4.6
202.05623	5.5
202.50371	2.7
208.50607	2.8
211.00868	15.0
211.50986	6.8
212.00859	1.4
219.01976	12.6
220.02139	4.8
222.51730	1.7
232.96779	1.8
238.95636	3.9
239.95688	1.5
243.01888	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0756
Annotation	2-Benzylmalic acid
Peak:m/z	Relative Intensity
55.05496	1.2
57.03419	0.6
57.07043	1.1
61.23652	0.7
65.03932	2.4
67.05492	1.8
69.07066	1.0
69.77906	4.0
71.04986	2.4
77.03911	0.9
79.05486	2.0
81.07053	3.6
83.04971	1.8
85.02902	6.6
87.44468	0.6
89.03908	2.3
91.05477	41.6
93.07025	3.0
95.04967	3.6
95.08604	3.2
97.06520	1.1
99.04446	5.5
103.05441	2.0
105.03373	2.6
105.07031	3.0
107.04927	3.0
107.08589	4.4
109.06502	4.0
109.10154	2.8
111.08059	0.9
118.04163	4.9
119.04942	48.4
119.08584	3.6
121.02878	1.4
121.06538	1.2
121.10148	3.9
122.03655	0.7
123.04420	2.9
123.08063	3.6
123.11710	5.6
125.05964	1.1
125.09663	0.7
129.03391	1.0
131.04936	1.1
131.08571	1.0
132.02039	3.3
132.17206	0.7
133.02838	1.7
133.10127	1.5
134.03619	0.7
135.04428	2.6
135.08049	1.1
135.11642	0.8
136.05217	1.9
137.05980	2.2
137.09605	1.4
137.13293	1.3
145.10092	1.1
146.03647	1.8
147.04407	42.8
147.08069	1.2
147.11688	3.6
149.02368	5.0
149.09612	4.8
151.07561	1.9
151.11128	0.8
152.25571	0.6
153.05470	0.8
153.09070	0.9
155.06981	1.2
157.03940	3.9
161.05974	1.7
161.09511	1.4
161.13245	1.5
163.03937	3.6
163.11209	1.7
164.04683	5.0
165.01837	1.4
165.05437	2.1
165.06844	0.9
165.09096	0.9
165.12723	1.1
167.07037	1.6
174.03113	1.4
175.03908	62.4
177.01825	2.2
179.07057	4.0
179.14276	1.8
180.04198	3.1
183.06506	2.1
183.13855	1.1
188.90067	0.7
189.12726	3.9
191.44127	0.8
192.04164	20.5
193.04974	2.6
194.34535	0.7
195.06506	1.3
207.06523	100.0
207.13766	8.4
208.06688	0.9
225.05717	0.7
225.07545	2.8
225.09306	1.9
225.14853	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.2056
Annotation	Laggerol
Peak:m/z	Relative Intensity
55.01859	1.0
55.05510	14.7
55.40951	0.9
57.07079	12.7
57.27663	1.0
59.05019	0.9
59.21411	0.9
67.05505	7.5
69.07072	32.3
69.52641	7.8
71.04977	4.1
71.08348	0.8
71.08637	9.4
73.06533	1.9
76.55068	0.8
79.05486	5.8
81.07060	30.6
83.04992	1.1
83.08613	11.2
85.06493	1.3
91.05484	2.4
93.07043	18.0
95.04924	1.1
95.08604	34.8
97.06529	1.9
97.10162	10.8
97.43169	1.0
99.08058	4.5
105.06976	1.2
107.08601	21.1
109.10158	27.5
111.08076	1.5
111.11702	3.9
113.09676	4.5
121.10145	17.0
123.11706	22.8
125.09621	1.9
125.13232	1.5
127.11175	1.5
135.11699	17.4
137.13266	10.2
139.11185	3.1
141.12744	2.6
149.02325	7.1
149.13269	31.8
150.13469	1.2
153.12747	2.7
163.11183	1.3
163.14842	2.3
163.73201	1.0
205.19540	22.4
207.54509	1.0
223.05923	2.8
223.11137	1.3
223.20575	100.0
224.20868	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	223.1328
Annotation	Dehydrovomifoliol
Peak:m/z	Relative Intensity
50.30494	2.7
53.03942	4.7
53.71810	2.6
55.01866	4.6
55.05500	11.2
56.96565	7.9
57.03438	4.2
57.07066	3.6
59.04991	6.6
67.05490	13.3
69.03430	18.0
69.07066	7.4
70.48258	11.6
71.04988	13.2
73.02910	3.9
79.05481	11.8
81.03432	4.1
81.07042	16.0
83.04987	21.6
83.08601	3.6
85.02903	20.7
85.06550	5.6
91.05483	21.3
93.07040	35.9
95.04973	19.2
95.08609	15.4
97.02892	8.3
97.06554	4.7
97.10133	2.9
98.97588	10.3
99.04436	5.0
105.07033	24.0
107.04961	9.7
107.08581	23.6
109.02853	3.0
109.06514	43.2
109.10169	8.2
111.08054	11.0
113.06026	14.6
116.98648	7.5
117.07030	8.4
119.04917	2.9
119.08578	35.8
121.06507	47.8
121.10132	28.3
123.04417	5.0
123.08065	16.9
123.11726	2.9
124.40568	2.9
124.44781	2.8
125.09614	6.7
129.06998	5.0
131.08572	9.3
133.10143	13.6
134.99693	3.3
135.04416	4.9
135.08060	40.1
135.11684	23.2
137.05966	3.6
137.09590	25.1
139.05042	3.1
139.07524	7.7
143.08580	3.8
144.09398	3.6
145.06491	3.7
145.10129	17.0
146.07318	3.9
147.04442	3.8
147.08083	9.2
149.02322	20.3
149.05984	5.1
149.09613	100.0
149.13248	5.2
151.11194	8.7
153.09068	4.9
159.11700	27.6
161.01189	4.3
161.09604	24.5
162.03134	4.3
163.03857	3.7
163.05130	3.5
163.07533	7.3
163.11174	35.1
165.09120	15.9
167.07066	10.3
167.08463	2.7
172.08788	6.3
177.00696	7.1
177.05432	5.1
177.09122	2.8
177.12723	35.6
179.10661	27.1
181.12273	4.7
187.11130	21.6
190.02661	5.7
196.06750	8.9
196.56934	4.1
197.38179	2.8
202.06758	19.2
202.56989	7.1
203.07474	17.4
205.12231	54.4
208.03703	3.3
211.07327	6.2
222.58125	6.3
223.02441	4.2
223.05939	23.3
223.07881	4.3
223.09770	4.5
223.13304	63.4
223.16733	5.5
225.04344	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	223.2056
Annotation	(2Z,6E)-Farnesol
Peak:m/z	Relative Intensity
53.36857	1.4
55.05511	58.9
56.96572	2.3
57.07071	9.8
59.04984	1.8
67.05507	20.7
69.07068	43.0
70.17377	3.7
70.17776	3.0
71.04993	7.7
71.08613	2.8
71.89948	1.6
79.05497	12.0
81.07056	45.6
83.04958	4.7
83.08619	23.0
85.06513	6.2
88.90660	1.4
91.05453	4.4
93.06477	2.0
93.07045	32.0
95.04964	2.2
95.08606	55.5
97.06511	4.4
97.10168	100.0
98.20808	2.1
99.08080	5.1
105.07017	3.5
107.08595	34.5
109.06458	2.9
109.10153	75.0
111.08051	2.6
111.11713	3.4
113.09628	1.8
117.98974	1.5
119.08562	3.0
121.10152	22.8
123.08073	1.7
123.11708	67.4
125.09610	4.6
127.11182	2.6
129.27997	1.5
133.10103	1.6
135.11699	36.2
137.09604	1.9
137.13251	5.5
139.07491	1.8
141.12741	9.4
145.10155	2.1
147.11732	2.5
149.02354	9.6
149.09578	2.6
149.13261	92.9
150.13631	1.9
153.12752	18.3
159.11641	1.8
162.03044	2.0
163.03922	1.5
163.11131	2.9
163.14835	8.0
165.09145	1.7
165.12798	1.5
177.12787	1.6
177.16356	2.1
190.02541	2.7
205.15819	4.1
205.19524	78.6
208.03587	1.9
223.05962	7.8
223.13335	5.3
223.17142	13.2
223.20560	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	223.1328
Annotation	Annuionone B
Peak:m/z	Relative Intensity
53.03926	3.3
55.01857	4.7
55.05508	10.8
56.96559	1.8
57.03426	3.7
57.07053	3.2
59.05000	4.6
61.00603	1.9
61.02908	6.0
65.03930	2.1
67.05486	8.9
69.03431	15.5
69.07057	9.6
69.28464	21.3
71.04971	7.1
79.05503	12.7
81.03403	4.9
81.07072	13.8
83.01340	2.4
83.04984	23.8
85.02899	20.5
85.06530	6.4
89.06003	2.1
91.05486	15.4
93.07034	34.3
94.53767	1.9
95.04973	16.5
95.08595	14.0
97.02879	4.3
97.06537	4.4
97.10152	9.7
98.97564	3.4
99.04443	4.3
105.07029	20.7
107.04919	5.5
107.08583	21.4
109.02886	3.0
109.06517	33.1
109.10131	9.6
111.04417	3.0
111.08083	11.1
113.06002	8.0
117.07000	8.7
119.06074	2.2
119.08574	21.6
121.02856	2.8
121.06508	54.5
121.10131	19.0
122.07254	3.4
123.04427	3.3
123.08070	16.3
125.09587	3.8
127.07534	2.1
129.06998	2.6
130.07739	3.5
131.04814	2.1
131.08569	8.4
133.10107	12.8
134.99696	2.5
135.08055	32.5
135.11705	15.8
137.05983	3.9
137.09601	21.2
139.07547	6.8
144.09308	4.3
145.10115	17.9
145.95854	2.1
147.08090	10.0
149.02348	18.3
149.05972	8.2
149.09613	66.9
149.13205	3.4
151.11186	5.1
153.09070	6.9
158.99698	2.1
159.11703	23.6
161.09599	18.2
162.03159	4.3
162.10481	2.6
163.03909	6.2
163.07542	4.7
163.11180	35.0
165.09109	100.0
167.07010	5.7
172.08818	5.1
175.11113	7.2
175.35464	1.8
177.00751	2.7
177.05423	3.0
177.09178	4.6
177.12738	35.3
179.10614	15.6
181.08609	2.6
181.12234	4.3
187.11180	17.4
190.02570	2.8
192.68007	1.9
194.06978	2.8
195.13802	3.2
202.06758	5.2
203.07512	6.2
205.12247	60.8
212.08040	3.0
223.05974	23.5
223.13284	97.0
223.16916	5.5
225.04218	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1328
Annotation	2-Hydroxyibuprofen
Peak:m/z	Relative Intensity
54.54970	1.3
55.01860	1.8
55.05514	8.4
56.96540	1.9
57.03431	2.5
61.67227	1.5
67.05502	10.4
68.99783	1.5
69.03428	14.1
69.07045	2.5
69.88557	5.6
69.88966	3.7
70.54970	1.4
71.04976	8.6
79.05488	9.5
81.07062	7.8
83.01334	7.2
83.04980	9.6
85.02897	2.4
91.04966	1.7
91.05474	18.5
93.06528	2.0
93.07046	17.9
95.04962	8.8
95.08592	6.5
97.02872	3.0
97.06513	1.9
98.21492	1.8
100.31871	1.2
105.07030	19.1
106.15240	1.5
107.04922	4.0
107.08588	19.9
109.06470	6.9
109.10148	9.2
111.04457	3.4
111.08071	1.9
117.07012	8.7
119.08585	27.5
121.06501	8.8
121.10136	17.8
122.07270	17.3
123.08057	9.4
125.06013	11.2
125.09640	1.5
129.06985	7.1
130.07785	5.0
131.08557	15.0
133.10129	8.3
135.04361	1.9
135.08044	44.0
135.11693	28.5
136.08830	14.3
137.05948	4.7
137.09621	16.1
137.13202	1.9
143.08537	2.8
144.09326	14.5
145.10120	14.9
147.08011	4.5
149.02330	7.2
149.05974	4.3
149.09613	66.9
149.13225	7.5
150.06755	23.0
151.07539	9.7
151.11108	3.2
153.09109	6.4
154.39690	1.6
159.08084	2.4
159.11681	42.4
161.09595	8.0
162.03090	2.4
162.10329	3.3
163.03922	4.1
163.07512	5.4
163.11174	66.5
165.09116	26.1
167.07010	2.1
172.08818	4.8
175.07549	21.3
175.11147	3.6
176.08261	3.0
177.09119	3.8
177.12743	88.1
179.10643	6.1
181.12242	1.8
185.91187	1.8
186.13730	1.6
187.11157	20.8
189.09074	2.1
190.02646	1.9
190.09866	19.2
203.10657	13.6
205.12230	100.0
223.05984	6.3
223.13280	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	222.0013
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96544	0.7
69.94737	3.5
72.74626	0.6
74.35632	0.7
98.21468	0.8
98.97614	1.0
115.29736	0.7
116.98610	0.8
119.01916	3.3
120.95374	0.7
138.96419	3.5
140.01515	1.1
143.00146	1.8
145.03464	1.2
152.01590	0.8
156.97469	65.1
157.97629	1.1
161.01268	0.8
163.01877	1.0
166.01303	0.8
174.98534	100.0
175.98639	2.4
179.99097	2.8
180.00778	0.5
180.97389	0.7
187.04410	0.7
188.02638	2.6
189.01564	0.8
197.03104	1.0
198.00133	3.2
198.98528	23.4
199.00223	1.1
216.99579	70.8
217.99733	1.4
222.00169	1.8
223.02867	1.7
229.32104	0.6
232.03441	2.4
240.01164	1.5
243.95865	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1328
Annotation	Aristelegone D
Peak:m/z	Relative Intensity
53.03922	1.9
55.01864	2.7
55.05501	5.4
57.03433	1.7
57.07060	2.7
65.03923	1.7
67.05494	6.2
69.03413	1.3
69.07066	6.5
69.80274	1.1
71.04988	9.5
71.28207	2.0
71.28541	1.4
79.05489	20.1
80.59678	1.1
81.03409	1.9
81.07050	5.5
83.04966	5.6
91.05469	20.7
93.07041	29.3
95.04969	7.9
95.08595	3.7
97.06516	3.0
98.97573	2.0
103.05421	1.5
104.74339	1.3
105.07021	18.0
107.04948	13.8
107.08578	26.0
109.06515	3.8
109.10153	3.1
111.08089	2.0
115.05426	2.5
116.98599	2.5
117.06992	10.9
119.08578	6.9
121.02843	1.9
121.06502	14.4
121.10127	20.1
123.08047	3.0
123.11732	1.1
125.05934	1.5
128.06203	1.2
129.06978	2.6
130.07771	5.7
131.08560	100.0
133.06500	1.8
134.99663	2.3
135.04401	3.4
135.08096	1.7
135.11667	6.2
137.05899	1.6
137.09679	2.0
137.10716	3.7
139.07555	3.3
143.08542	1.6
145.06444	1.4
145.10117	53.5
147.08038	4.0
147.11754	2.2
149.02344	15.1
149.05965	2.1
149.08405	2.5
149.09602	42.1
159.11642	1.3
161.09628	1.9
162.03134	2.5
163.03900	2.5
163.11166	25.4
165.09129	1.9
167.07047	4.9
173.09666	2.5
177.05498	1.4
177.12747	3.4
181.08533	2.0
181.12219	1.6
185.41214	1.1
190.02589	2.0
191.10654	12.2
205.12210	14.5
208.03644	2.1
223.02385	1.5
223.05904	12.2
223.11229	2.5
223.13264	28.7
223.16782	2.6
223.20435	1.6
225.04288	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.19
Annotation	Helianthol A
Peak:m/z	Relative Intensity
55.05509	9.6
56.63445	1.5
57.07072	7.9
67.05499	22.8
67.11409	1.7
69.07064	20.0
70.86520	5.2
71.04993	10.0
79.05498	23.0
81.07056	52.3
83.08611	9.3
85.06543	10.9
91.05466	14.6
93.07044	36.6
95.04945	1.8
95.08605	61.9
97.10166	3.4
99.08067	3.3
105.07028	61.9
107.08593	100.0
109.06503	3.0
109.10152	55.2
111.11774	1.7
113.09634	3.6
117.06942	1.7
119.08570	39.2
121.09319	2.4
121.10137	37.4
123.08086	1.5
123.11716	16.5
125.09607	2.0
131.08546	1.6
133.10135	29.8
135.11687	16.1
137.13225	2.3
139.11171	2.9
145.10114	2.0
147.11679	75.7
148.11989	1.9
149.13278	3.0
151.11179	3.7
151.14792	3.2
152.87257	1.5
161.11969	2.7
161.13258	32.8
163.14825	68.3
165.12709	3.8
174.14043	1.7
175.14804	6.3
177.16409	3.9
186.12825	1.7
203.17950	83.4
206.16199	2.0
221.07686	1.6
221.19009	40.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1899
Annotation	Helianthol A
Peak:m/z	Relative Intensity
51.76935	0.8
53.03930	1.2
55.05512	9.0
56.96569	1.3
57.07059	3.2
59.05002	1.5
61.16307	1.0
67.05503	7.1
69.03432	1.5
69.07063	10.4
69.56760	7.6
71.04636	1.4
71.04992	13.2
79.05486	15.7
79.51246	0.9
81.07053	69.4
83.04974	2.0
83.08633	5.0
85.06562	1.1
91.05485	9.2
93.07040	32.1
95.04953	3.2
95.08602	27.3
97.06547	1.8
97.10165	1.2
98.97554	1.0
99.08089	4.1
102.84954	0.8
103.05449	1.0
105.07027	20.2
107.04961	1.1
107.08588	53.7
109.06519	3.2
109.10151	17.6
109.10835	1.7
111.04379	1.0
111.08082	1.6
111.11723	1.1
117.07021	1.9
119.08579	31.6
119.09447	1.5
121.10152	6.9
123.08047	1.3
123.11700	16.1
127.11266	4.3
131.04921	1.1
133.10124	20.8
135.11688	98.3
136.11957	1.1
137.06013	1.6
137.09607	2.8
137.13292	2.4
145.10115	2.1
147.11674	16.3
149.13242	4.3
151.03893	9.8
151.04997	1.6
151.11168	2.1
152.06277	1.2
153.05515	1.4
160.05217	1.0
161.02983	1.8
161.06029	1.8
161.13239	10.5
162.06796	0.9
163.14821	4.4
165.07059	1.4
165.12759	0.9
169.52676	1.2
175.07552	3.1
175.14839	2.6
177.09106	18.9
178.07771	51.8
178.53220	0.9
179.08144	2.5
189.05547	0.9
189.07028	5.6
190.07785	7.1
191.07066	2.8
191.08562	2.3
193.06569	1.2
193.08679	1.4
194.05952	1.2
202.07616	0.8
203.06946	1.8
203.14180	0.9
203.17963	29.6
205.06519	3.3
206.07275	21.6
221.06049	3.0
221.09627	100.0
221.19014	30.4
221.22284	1.3
222.09953	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1899
Annotation	Helianthol A
Peak:m/z	Relative Intensity
55.05505	7.4
57.07067	6.1
59.04976	1.4
67.05508	15.4
69.07061	13.1
70.94337	4.3
71.04986	2.5
79.05486	8.5
81.07056	29.4
83.08610	5.6
85.06540	2.9
90.24766	1.2
91.05469	12.2
93.07043	17.9
95.04971	1.4
95.08605	40.2
97.10153	2.4
98.97581	3.7
105.07024	44.3
107.08587	33.4
109.06532	2.6
109.10153	47.4
110.06007	1.5
111.08112	3.1
113.09647	2.8
116.98589	4.3
119.08575	44.1
121.09300	2.2
121.10130	21.6
123.08080	4.0
123.11700	26.4
125.09629	2.9
131.08560	1.7
133.10127	26.1
134.99634	3.8
135.11676	10.0
137.05969	1.7
137.09605	3.9
137.13217	2.0
145.10104	3.8
147.04410	2.3
147.11681	57.9
149.13242	12.5
151.11180	13.4
158.01247	3.1
160.12498	2.0
161.13249	18.1
163.03923	4.4
163.14815	14.1
165.12746	7.0
175.14806	8.2
177.16374	5.8
180.13841	2.4
203.17952	100.0
221.04349	1.6
221.08086	2.8
221.11728	1.9
221.19008	71.4
222.15009	1.6
222.19400	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1899
Annotation	Helianthol A
Peak:m/z	Relative Intensity
51.02370	0.8
53.03931	1.5
55.05502	7.7
56.38660	0.7
57.07055	2.3
59.04964	0.8
60.03805	0.7
65.01616	0.7
65.03922	0.9
67.05494	6.6
69.07057	9.0
70.97046	2.0
71.04986	15.0
79.05487	19.0
81.07050	75.9
83.04976	1.5
83.08626	3.6
85.06529	0.9
91.05477	9.8
93.07040	30.5
95.04962	1.9
95.08598	18.9
97.06523	1.3
97.10148	1.6
99.08059	4.0
103.05433	1.4
105.07025	23.6
107.08586	53.8
109.06516	2.3
109.10149	18.1
111.08047	1.8
119.08574	38.5
121.10133	5.3
123.08064	0.8
123.11703	14.8
125.09538	0.8
127.11178	6.6
131.04893	1.4
131.08569	1.3
133.06477	1.0
133.10124	22.2
135.11679	100.0
136.12024	0.8
137.09613	2.3
137.13261	2.2
145.10120	1.8
147.11681	16.8
149.02348	1.9
149.13228	5.9
151.11180	2.6
153.12744	0.8
159.11644	1.0
160.12445	1.2
161.02966	1.3
161.05994	0.9
161.13240	12.1
163.14787	2.1
165.12798	1.2
175.14835	1.6
177.09138	7.2
177.16325	1.2
203.10789	0.8
203.17946	31.9
213.00375	0.8
221.04280	0.8
221.07961	1.1
221.11711	1.2
221.15414	2.5
221.18987	30.9
221.56879	0.9
222.11298	0.8
235.80440	0.8
241.02353	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1899
Annotation	Helianthol A
Peak:m/z	Relative Intensity
50.86857	1.5
53.03933	2.2
55.05272	1.8
55.05513	14.7
57.07074	8.3
59.04988	3.8
67.05502	19.1
69.07066	72.7
70.33295	5.1
70.33694	2.9
71.04964	3.5
79.05490	17.6
81.07053	80.9
83.04976	4.4
83.08608	7.2
85.06536	6.5
91.05474	12.7
93.07042	37.8
95.07980	3.2
95.08603	59.8
97.06512	3.4
97.10145	6.0
98.97601	2.5
105.07028	37.4
107.08595	40.7
109.06489	2.2
109.10152	37.4
111.08083	8.6
111.11716	70.1
119.08566	29.3
121.10137	24.7
123.08050	4.1
123.11720	14.7
127.11189	2.3
133.10126	26.5
135.11703	25.6
137.13229	9.4
139.11151	4.9
147.10497	3.0
147.11694	49.3
149.13234	6.2
151.11195	4.9
161.13235	15.7
163.14824	9.4
165.12755	5.3
175.14836	5.5
177.16394	3.4
181.34045	1.7
181.35582	1.9
188.35321	1.8
203.17944	64.8
221.19006	100.0
221.30157	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.19
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.03954	1.6
55.05510	10.9
56.96542	2.5
57.07067	5.9
59.05003	7.7
59.05244	1.2
62.75554	1.3
67.05504	21.8
69.07072	22.4
71.04984	3.8
71.54568	1.6
73.06564	3.1
79.05488	16.5
81.07057	48.2
83.04988	2.0
83.08627	8.3
91.05482	25.9
93.03661	1.3
93.07046	34.1
95.04947	2.7
95.08607	77.5
97.10172	4.5
98.97609	2.4
99.08102	2.7
105.07032	64.7
107.08597	52.9
107.09193	0.9
109.06514	2.7
109.10159	38.2
111.08053	2.2
116.98637	1.6
117.06986	1.8
119.08585	44.5
121.10149	43.2
123.08092	1.4
123.11715	12.2
125.09650	14.6
131.08647	1.1
133.10135	42.8
135.11703	12.7
139.11171	5.4
145.10141	2.8
147.11688	100.0
149.13246	12.9
151.11188	4.4
161.13257	20.8
163.14822	17.1
165.12740	4.6
175.14786	6.6
177.16463	6.8
177.17781	1.6
177.60132	2.8
203.17961	86.1
221.11812	1.4
221.15660	2.1
221.19020	45.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.19
Annotation	Helianthol A
Peak:m/z	Relative Intensity
50.62524	1.5
55.01864	2.9
55.05507	13.5
57.03414	3.8
57.07072	11.3
57.81879	1.5
59.04985	5.3
65.03931	2.0
67.05170	2.1
67.05502	27.0
69.07069	23.7
69.45978	8.9
69.46390	4.6
71.04985	4.0
71.08627	2.7
75.99840	1.4
79.05492	16.4
81.07054	58.5
83.04987	8.8
83.08620	10.5
85.06532	9.9
91.05474	24.0
93.06469	2.4
93.07040	34.7
95.08602	77.6
97.06512	7.7
97.10168	5.4
99.08103	1.7
105.07032	51.7
107.08590	44.5
109.06525	2.9
109.10152	34.2
111.08080	5.6
119.08569	31.3
121.10143	39.0
121.11015	2.1
123.08058	4.9
123.11713	12.9
125.09641	3.2
133.10129	39.8
134.48311	1.3
135.11685	13.4
137.09598	2.5
137.13226	7.0
147.11678	67.4
149.13278	10.4
151.11183	6.4
161.13258	19.9
163.14815	14.0
165.12724	8.2
171.39476	1.6
175.14854	10.5
177.16354	4.2
194.40535	1.5
203.15994	3.1
203.17952	92.5
221.19003	100.0
232.53897	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1899
Annotation	Helianthol A
Peak:m/z	Relative Intensity
50.37986	2.4
55.05510	11.0
57.07067	4.3
59.04987	7.7
67.05503	15.7
69.07066	16.3
70.30119	7.9
70.30509	4.1
71.04995	24.8
73.06543	2.5
79.05479	13.6
81.07056	64.1
83.04945	2.5
83.08599	5.9
91.05468	10.1
93.06491	2.3
93.07043	37.8
95.08601	50.1
97.06512	4.5
97.10179	13.0
98.20638	2.3
99.08082	3.4
105.06378	3.8
105.07030	40.9
107.08592	45.8
109.06538	3.0
109.10162	31.0
111.08093	2.2
119.08569	46.5
121.10139	30.4
123.08096	3.2
123.11715	11.3
125.09616	4.6
127.11160	6.5
133.10115	26.5
135.11687	41.3
137.13184	2.3
139.11174	24.0
147.11682	38.6
149.13234	21.6
151.11169	33.4
161.13242	17.4
163.14812	15.3
165.12688	3.2
175.03938	2.8
175.14838	5.7
177.16394	4.6
178.07773	21.2
189.06934	2.6
203.17955	58.9
206.07321	5.2
221.09618	33.6
221.18999	100.0
236.06403	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	221.1899
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.00296	1.1
53.03933	1.8
55.01872	1.0
55.05502	10.0
57.03407	0.9
57.07073	5.6
57.61857	0.9
57.71760	0.8
59.04983	1.0
62.83442	0.7
65.03926	1.0
67.05499	13.2
69.06720	1.3
69.07065	18.8
71.04989	14.7
71.28335	1.9
77.03904	0.8
79.05064	1.2
79.05489	18.8
79.64956	0.8
81.07051	70.3
83.04961	1.7
83.08614	5.3
85.06532	13.7
91.05470	13.0
91.53355	0.8
93.07037	42.5
95.04969	3.0
95.08600	40.3
97.06528	1.8
97.10171	1.9
98.97585	2.0
99.08077	6.6
103.05447	2.7
105.07021	41.5
107.08585	76.2
109.06510	3.5
109.10143	27.5
111.08089	4.5
111.11753	1.1
113.09595	1.3
115.05495	1.8
116.98596	4.1
117.07002	2.2
119.08575	42.3
121.06497	0.9
121.10136	26.1
123.08073	3.0
123.11708	18.6
125.09625	2.2
127.11215	6.2
130.80977	0.9
131.04901	5.7
131.08569	1.7
133.06487	2.9
133.09117	1.5
133.10121	29.0
133.31918	0.9
134.99599	3.8
135.11682	100.0
136.12007	1.3
137.05956	2.3
137.09599	4.1
137.13232	2.7
139.11162	1.0
143.04901	1.1
145.10120	2.8
147.10484	1.9
147.11673	38.3
149.13260	6.1
151.03902	4.5
151.07509	1.1
151.11176	3.3
153.00674	0.9
158.01306	2.2
159.11722	1.3
160.05171	3.9
160.12506	1.2
161.06021	4.6
161.13251	17.3
163.07530	4.7
163.14815	14.5
165.09169	1.1
165.12727	3.8
175.07544	7.4
175.14804	4.9
177.09184	1.9
177.16379	4.5
189.05484	1.2
191.07039	2.9
193.08609	4.2
197.18707	0.7
200.68658	0.9
203.07036	2.5
203.17941	56.1
204.18149	0.8
221.04398	1.9
221.07863	1.8
221.09804	1.5
221.11650	2.0
221.15407	3.4
221.19008	54.4
221.20848	3.1
222.11255	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	221.19
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.03946	2.9
55.05510	13.3
56.96572	1.9
57.07072	4.2
59.05006	8.2
59.35659	1.2
65.03937	1.9
67.05508	22.2
69.07065	42.7
70.35241	1.1
70.70831	3.9
71.04984	2.4
79.05498	21.2
81.07058	100.0
82.07385	1.4
83.04965	2.6
83.08608	10.0
88.12086	1.0
90.94075	1.3
91.05484	14.0
93.07041	29.1
95.04947	2.7
95.08604	50.4
97.06535	7.3
97.10171	3.5
99.08113	1.9
105.07029	32.8
106.52271	1.2
107.08596	39.2
109.06495	6.8
109.10155	36.6
110.59960	1.3
111.08085	5.3
111.11718	5.0
116.98624	1.4
117.06992	1.4
119.08578	29.8
121.10144	26.9
123.08126	1.8
123.11710	20.5
125.09647	4.5
131.08513	1.7
133.10129	34.1
133.11087	2.3
134.99666	1.7
135.11678	10.2
137.09604	3.9
137.13289	2.6
139.11169	4.0
145.10097	2.0
147.11693	41.3
149.13284	7.5
151.06979	3.8
151.11154	2.7
159.11696	1.3
161.13251	11.6
163.03972	2.3
163.14810	7.1
165.12776	5.0
175.14821	14.3
177.16335	1.7
188.61279	1.3
198.47760	1.3
203.17957	57.3
217.07404	1.9
221.15393	4.7
221.19009	33.9
221.21069	2.4
234.02486	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1899
Annotation	Helianthol A
Peak:m/z	Relative Intensity
52.50072	1.5
55.05502	8.2
55.50863	2.0
56.37906	1.5
57.07070	4.7
59.04994	2.6
65.13545	1.5
67.05500	15.8
69.07067	18.1
69.98651	9.8
79.05491	10.3
80.51144	1.6
81.07050	45.4
83.04962	2.9
83.08584	8.7
85.06548	3.3
85.21386	1.8
91.05467	10.3
93.07041	23.2
95.08600	57.1
97.06524	4.0
97.10170	3.8
99.55415	1.6
104.54554	1.8
105.07026	41.4
107.08589	36.6
109.06525	2.2
109.10144	39.0
111.08055	6.6
111.11706	4.7
119.08578	38.4
120.66912	1.8
121.10139	22.4
123.11700	11.5
125.09592	3.1
133.10120	25.7
135.11717	7.5
137.09709	1.6
137.13274	3.1
139.11156	3.3
147.11674	49.9
149.13222	7.4
151.11134	3.7
161.13252	23.4
163.14786	15.0
165.12733	5.7
175.14775	11.6
203.17943	100.0
213.63776	2.4
215.48706	1.7
221.18999	66.4
225.45532	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1899
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.03918	1.1
55.05460	3.9
55.59699	0.6
56.96516	1.7
56.96774	0.6
57.07017	2.1
59.04939	1.0
65.46048	0.7
67.05500	8.0
69.07067	6.9
70.53080	0.7
70.53422	1.7
71.04993	13.7
71.08559	0.9
72.06404	0.7
78.37811	0.6
79.05488	7.5
81.07054	18.6
83.08559	2.3
85.06477	2.1
91.05465	4.8
93.07050	13.5
93.18977	0.6
95.04935	0.6
95.08604	40.6
97.06490	0.9
97.10140	1.1
98.97536	2.6
105.07027	19.6
105.12479	0.5
107.08592	41.9
109.06490	1.3
109.10157	17.6
111.08040	0.9
112.56004	0.5
116.98612	3.9
119.04958	0.7
119.08575	17.1
120.26328	0.6
121.09328	1.0
121.10137	15.2
123.11713	5.3
125.09599	1.8
131.08466	0.7
133.10124	15.5
134.99586	2.7
135.11713	5.1
136.54477	0.6
137.13210	1.9
145.10089	1.2
147.04396	2.6
147.11690	33.2
149.13226	1.4
151.11066	1.5
151.14780	1.2
156.89952	0.7
158.01195	2.0
159.11710	0.8
161.13252	11.1
163.14813	16.8
165.12683	1.6
175.14824	5.8
175.89764	0.6
177.16379	7.0
190.01357	0.6
192.58270	0.6
203.17950	100.0
204.18292	1.1
221.11671	0.7
221.15508	1.6
221.19011	40.8
222.11168	0.7
238.17401	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1899
Annotation	Helianthol A
Peak:m/z	Relative Intensity
55.05508	5.6
57.07069	7.5
57.85946	1.2
61.50145	1.0
63.34785	1.0
67.05509	10.5
69.07069	13.6
71.04983	3.2
71.29918	2.1
79.05490	5.1
81.06574	2.3
81.07049	33.0
83.08598	4.5
85.06536	4.1
87.37724	1.0
91.05465	4.7
93.07032	16.5
95.08601	37.5
97.06528	4.7
97.10146	2.1
105.07021	35.1
107.08590	30.1
109.06502	1.1
109.10157	25.9
111.08074	11.3
119.08572	19.3
121.10136	18.4
123.08055	2.6
123.11700	24.3
125.09624	3.8
131.08563	1.1
133.10129	13.0
135.11688	11.2
136.44792	1.1
136.50536	1.1
137.09616	4.9
137.13269	2.1
145.10139	1.6
147.11676	41.3
149.13240	7.3
151.11179	3.0
151.14786	1.7
161.13251	21.4
163.14809	18.0
163.16109	1.8
165.12708	7.2
175.14803	3.3
177.16380	2.0
179.14273	1.8
197.34831	1.0
203.15990	2.2
203.17947	64.9
221.18999	100.0
229.77193	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1171
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51915	0.1
52.37434	0.1
55.01465	0.1
55.01843	0.1
67.05491	0.3
69.15247	0.1
69.39254	1.0
70.24937	0.1
79.05486	0.1
81.07053	0.3
91.05447	0.7
93.07036	0.5
95.08602	0.3
98.20769	0.2
103.05447	0.1
105.07008	0.4
107.04856	0.1
107.08564	0.2
109.10172	0.2
115.05441	0.9
116.06239	0.6
117.07014	3.8
117.95885	0.1
119.04885	0.2
119.08577	0.4
121.06498	0.3
121.10186	0.1
128.06229	0.9
129.06952	0.2
132.05745	0.1
133.06499	0.7
133.10161	0.1
134.07262	0.8
135.08006	0.5
135.11690	0.1
143.08530	0.9
144.05669	0.4
145.06505	0.8
147.04396	0.2
147.08043	0.2
147.11652	0.3
149.09572	0.3
159.08025	0.1
160.05138	0.2
161.05920	0.5
162.06752	4.7
171.08093	0.8
175.07547	2.3
177.09099	100.0
178.09462	1.2
184.31743	0.1
188.08423	0.2
203.10677	0.4
203.17998	0.2
219.44731	0.1
221.06088	0.2
221.09723	0.2
221.11674	0.9
221.15337	0.2
221.19000	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1172
Annotation	Flossonol
Peak:m/z	Relative Intensity
53.73560	0.2
55.01869	0.9
55.05494	0.4
57.03429	0.5
57.07067	0.3
59.04989	0.5
61.02934	1.0
65.03934	0.3
67.05481	0.8
69.03425	1.4
69.07064	0.3
70.75421	0.4
71.04976	0.3
73.02900	0.4
79.05491	1.4
81.03419	1.2
81.07053	1.4
83.04996	1.1
85.02426	0.2
85.02901	3.0
86.16909	0.2
87.04450	0.3
91.05474	4.8
93.07048	2.4
95.04961	0.8
95.08585	0.7
97.02905	0.9
98.97536	0.3
99.04479	0.5
103.03944	0.5
103.05448	0.6
105.07030	17.7
107.04926	0.6
107.08615	1.0
109.02880	0.4
109.06512	0.6
109.10136	0.6
111.04429	0.6
115.05444	1.4
116.06251	0.9
117.07021	5.9
117.54388	0.2
119.04924	0.8
119.08582	4.4
121.06498	1.0
121.10140	0.6
123.04412	0.3
123.08111	0.3
127.03900	0.8
128.06219	2.8
129.07019	2.6
131.08572	6.9
132.05714	0.2
133.06499	1.4
133.10127	1.4
134.07285	0.5
135.08058	1.3
135.11661	0.2
137.05956	0.2
137.09593	0.3
141.06944	0.6
142.07806	2.6
143.08557	5.8
144.05687	0.6
145.05000	0.2
145.06497	1.6
145.10124	1.2
146.07224	0.3
147.04413	0.3
147.08049	2.3
147.11694	0.8
149.02368	0.4
149.05849	0.3
149.09592	0.6
155.08484	0.3
157.06532	0.2
157.10132	2.3
159.08061	2.0
160.05186	0.3
161.05942	0.5
161.09616	2.6
161.13348	0.3
162.05463	0.3
162.06764	4.2
163.07549	0.2
165.07031	0.5
165.09045	0.4
167.08527	1.7
170.03279	0.2
170.07202	0.2
171.08069	0.6
173.09612	0.5
175.07542	2.5
175.11195	1.2
177.09103	100.0
178.09473	1.1
179.10658	0.3
185.09578	1.8
191.10660	0.4
193.12175	0.2
201.78314	0.2
203.07098	0.3
203.10657	3.6
203.14253	0.2
203.17972	0.5
221.06085	0.2
221.08127	0.4
221.09651	0.4
221.11729	6.1
221.15381	0.8
221.19139	0.3
233.16229	0.2
239.52104	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1535
Annotation	Oblongolide
Peak:m/z	Relative Intensity
51.02348	0.6
53.03947	4.4
55.01875	1.1
55.05505	11.2
55.05750	1.0
56.96555	2.5
57.07079	3.6
59.04995	1.4
59.62712	0.6
60.95860	0.9
65.03929	1.5
67.05165	1.2
67.05505	16.9
69.03426	0.9
69.07065	16.7
70.84833	2.0
71.04988	4.6
73.06555	1.2
77.03905	1.2
79.05489	45.3
81.03415	1.2
81.07056	43.9
83.04984	4.4
83.08618	6.8
85.02890	1.1
85.06541	4.4
87.04469	0.8
91.05479	33.1
92.05772	0.8
93.07042	100.0
94.07359	1.0
95.04964	10.4
95.08603	32.9
97.06528	2.6
97.10152	1.5
98.97585	3.6
99.08071	1.8
101.06025	0.8
105.04523	1.8
105.07025	39.0
106.07338	0.7
107.08591	69.7
108.08931	1.0
109.06516	7.1
109.10150	16.3
110.59103	0.7
111.08090	3.9
111.44299	0.6
113.06046	1.0
113.09642	0.6
116.98636	3.6
117.07040	4.2
119.04919	1.9
119.08580	41.7
120.08909	0.9
121.06487	2.2
121.10139	20.8
121.72106	0.6
123.08059	6.2
123.11726	6.7
125.09622	2.0
127.07600	1.3
129.06981	3.2
131.08557	5.0
133.06451	1.3
133.10124	15.7
134.99655	7.0
135.08057	1.9
135.11696	6.5
137.05960	0.8
137.09634	1.1
137.13168	0.9
139.07530	0.8
139.11140	1.0
140.00195	0.9
143.08557	6.8
145.10074	1.6
147.04437	5.5
147.08067	2.4
147.11681	19.4
148.04764	1.5
149.13229	4.3
151.11136	1.4
153.00755	1.3
157.10164	3.9
158.01237	4.3
159.11705	7.2
161.09634	3.9
161.13255	32.0
163.03922	1.2
163.14847	4.4
165.09096	1.7
165.12778	2.2
175.02701	0.7
175.11191	6.0
175.14836	8.3
177.09099	0.7
177.16383	2.1
179.10663	1.6
180.93187	0.6
181.02888	1.0
185.13251	15.0
203.10481	0.6
203.14334	10.9
203.17957	25.7
206.16264	1.1
216.13992	0.7
221.04424	1.3
221.07932	1.7
221.11917	1.1
221.15373	35.2
221.18990	26.6
221.22372	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.1178
Annotation	Sodium pantothenate
Peak:m/z	Relative Intensity
55.01875	1.3
57.07076	6.0
59.04999	4.6
61.02894	1.0
62.51731	0.7
67.05491	6.3
68.49358	0.9
69.07066	3.9
69.41309	0.9
69.83662	1.9
69.84065	4.1
70.02946	7.4
72.04511	14.8
73.02900	3.3
74.02422	1.5
77.30396	0.8
82.68686	0.8
83.04994	0.9
85.06538	11.3
86.09692	1.3
87.08100	1.0
90.05551	100.0
95.04973	7.2
96.08115	2.1
96.43620	0.7
98.02412	18.8
100.03948	2.7
103.07572	7.6
113.06019	4.0
116.03445	12.9
118.82904	0.7
124.07583	18.5
131.06998	0.9
142.08632	7.6
156.10245	1.4
160.09647	1.8
166.08626	2.2
174.11290	2.1
184.09695	16.2
184.11319	1.3
184.81728	0.7
186.87610	0.8
202.10744	23.5
220.11795	30.5
220.17815	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02387	1.1
55.05495	3.5
56.46246	1.2
57.03428	1.7
57.07059	5.0
67.05494	3.9
69.03419	1.4
69.07048	5.2
69.85870	1.1
70.07606	5.6
71.04971	2.0
71.08608	1.2
78.07066	1.1
79.05479	3.8
81.07053	5.3
83.08587	1.4
85.06526	2.1
90.05556	2.6
91.05480	9.4
93.07050	11.8
95.04967	4.4
95.08594	5.1
96.08918	1.4
97.06507	2.4
98.20818	1.3
105.07017	15.9
106.07872	1.7
107.04924	1.3
107.08598	16.4
109.06519	5.1
109.10191	2.8
110.07325	6.9
111.08055	3.3
117.07045	5.6
119.08578	53.6
120.09369	3.7
121.06519	10.3
121.10165	12.3
122.07272	4.3
122.10368	1.3
123.08043	2.0
123.11649	1.6
129.07036	2.1
130.89302	1.4
131.08577	23.9
132.09291	1.0
133.10132	28.3
134.10973	6.8
135.08044	9.3
135.11711	8.3
136.08809	2.0
137.09618	3.9
143.75133	1.2
144.09276	1.5
145.10126	11.8
146.10822	4.3
147.04384	1.9
147.10498	2.3
147.11679	41.1
148.04747	1.2
148.08755	2.2
148.12134	1.2
149.09595	9.5
149.13283	6.8
150.10391	1.4
157.10133	1.7
158.10780	1.1
159.11684	30.3
160.12241	2.3
161.09605	1.4
161.13237	3.2
162.14023	21.5
163.11208	3.3
163.14842	1.5
173.13266	11.7
175.07521	1.8
177.12744	100.0
177.16235	8.5
178.13171	1.5
187.14806	14.6
191.14316	11.1
192.06511	1.3
202.17052	5.5
203.03407	2.9
204.14658	7.4
205.15866	29.6
220.06108	1.3
220.17924	54.6
221.18951	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.206
Annotation	lycopodane
Peak:m/z	Relative Intensity
53.03929	0.3
56.05038	2.0
57.07061	1.0
61.31569	0.2
67.05505	3.7
69.06720	0.3
69.07066	3.5
70.06596	2.3
79.05486	2.6
80.05009	0.2
81.06575	0.5
81.07053	8.4
82.06581	1.3
83.08613	1.6
84.08128	0.4
91.04972	0.4
91.05482	5.6
93.07043	6.6
94.06519	0.3
94.07364	0.3
95.08605	8.8
96.08128	1.8
96.08671	0.2
96.08926	0.2
97.10146	0.3
105.07027	12.6
107.08599	6.0
108.08093	0.7
108.08850	0.3
109.10155	5.6
110.09670	0.8
110.10408	0.3
113.28842	0.2
119.08574	8.3
120.08857	0.3
121.09309	0.4
121.10143	5.6
122.09648	0.8
122.10444	0.6
123.11697	2.3
127.88206	0.2
131.08597	0.5
133.10124	5.4
135.11687	2.1
136.11179	0.5
145.10088	0.7
147.11688	13.2
148.12163	0.4
149.13211	0.7
150.12770	0.4
151.14813	0.2
152.14326	0.4
154.91423	0.2
159.11581	0.3
161.13237	2.6
162.60928	0.2
163.14833	0.4
164.14357	3.2
165.27260	0.2
174.50313	0.3
175.14833	0.9
188.02510	0.2
192.17497	0.3
203.17924	3.5
204.14629	0.9
205.15956	1.3
220.20595	100.0
221.20972	2.6
229.96474	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0919
Annotation	7-HYDROXY-DL-TRYPTOPHAN
Peak:m/z	Relative Intensity
55.05500	1.1
56.96544	1.0
57.07068	2.7
60.04500	0.5
60.85809	0.4
67.05481	2.0
69.03408	1.3
69.07047	1.0
71.04971	0.6
71.24615	1.2
79.05466	1.1
81.07033	1.6
82.02921	1.5
82.42883	0.4
83.04959	0.6
83.08605	1.3
85.02898	0.8
91.05458	1.7
93.07023	2.0
94.06552	3.0
95.04954	0.9
95.08601	2.2
97.02881	1.2
98.97577	0.5
99.04374	0.4
99.08113	0.5
102.65395	0.4
103.05422	0.5
105.07033	2.3
106.06535	0.8
107.04948	0.9
107.08563	1.4
109.06528	0.5
109.10138	3.0
111.08072	2.0
115.05433	1.3
116.98611	1.3
118.06494	0.9
119.04922	0.6
119.08561	2.0
120.08101	1.4
121.06490	1.4
121.10107	1.6
123.08084	0.9
123.11707	0.8
125.05921	0.4
129.07034	0.5
130.06520	38.7
131.04895	0.5
131.06880	0.9
131.08580	0.6
132.04443	27.7
132.08069	0.6
133.06482	0.9
133.10101	1.7
134.06015	5.4
134.99629	0.8
135.08017	0.5
135.11662	0.6
137.05939	1.5
137.09616	1.8
141.32141	0.4
146.06020	1.6
147.06361	1.3
147.08047	0.9
147.09152	1.0
147.11679	1.3
148.07559	2.5
149.02379	0.5
153.09140	1.0
157.06509	0.6
157.07603	18.6
158.06003	65.9
159.06392	0.8
160.07579	2.4
160.08676	0.4
161.05971	1.3
161.09619	1.0
161.13277	0.7
162.05476	10.1
163.07440	0.5
165.09084	1.6
175.08664	100.0
175.14804	1.4
176.07030	1.6
176.08900	1.0
179.10617	0.6
182.43510	0.4
186.05458	4.3
193.15836	1.6
201.05795	0.5
203.08174	1.6
203.10522	0.5
203.17947	1.6
204.06549	18.2
210.06511	0.7
221.04597	1.1
221.09222	32.8
221.11656	1.7
221.15199	2.4
221.18700	1.3
221.22766	0.4
229.91446	0.4
239.05872	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1015
Annotation	1,2,3-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
50.59254	0.9
52.68075	1.0
57.03432	1.2
65.10074	1.0
69.84001	4.8
75.35626	0.8
81.07042	2.4
91.05484	8.7
93.07001	1.5
95.08601	1.9
97.67233	0.9
103.05475	2.2
105.07006	3.3
107.08563	2.4
109.10146	1.7
115.05462	7.4
116.06230	2.7
117.07001	3.7
119.08561	3.0
121.10129	3.1
128.06233	6.9
128.50273	1.2
129.07013	31.7
131.04939	5.0
131.08572	28.3
133.10109	2.0
133.50095	1.0
135.11661	1.4
137.05971	2.1
141.05974	2.0
141.06996	27.5
143.04897	1.4
143.08490	1.5
144.05688	3.3
145.06503	5.3
145.10112	3.2
146.07233	3.3
148.05042	1.2
155.05023	1.2
157.06485	16.9
158.07269	16.7
159.04384	2.6
159.08054	17.9
159.11681	2.4
160.05174	4.3
161.06035	1.3
161.09584	3.3
161.13205	1.6
163.07562	2.0
169.06477	10.2
170.07257	5.1
173.05975	3.1
173.09662	1.2
174.06763	57.2
175.07542	14.3
175.14777	1.2
186.06766	16.2
187.07579	2.1
188.08284	2.7
189.09109	78.5
190.07756	3.9
190.09293	1.1
191.06992	1.6
191.08553	11.1
191.10670	6.2
201.09120	33.2
201.16266	1.8
203.14328	7.7
219.08104	7.8
219.10139	100.0
219.17424	32.3
219.19603	1.3
220.10469	1.9
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	D-pantothenic acid
Peak:m/z	Relative Intensity
55.01868	3.7
55.05505	2.2
56.96565	13.1
57.03435	12.5
57.07072	8.6
59.04996	5.4
60.04523	2.4
61.02927	30.2
65.03934	1.8
67.05503	8.8
69.03426	10.2
69.07066	6.3
69.97230	4.1
70.02947	6.4
70.03745	0.8
71.01360	1.6
71.04987	3.3
71.84174	0.8
72.04513	12.6
72.08147	1.0
73.02917	12.1
74.02424	1.1
74.06079	1.4
74.64202	0.8
77.00903	1.8
79.05495	1.0
81.03413	3.4
81.07022	1.3
82.06596	0.7
83.01303	0.8
83.04988	7.2
84.04511	1.9
85.02898	14.8
85.06537	14.3
85.24702	0.8
86.03690	1.3
86.09723	2.0
87.00817	1.2
87.04468	2.5
87.08092	2.5
87.10010	0.9
88.02731	0.9
90.05553	100.0
91.02399	1.3
91.05480	1.0
92.01261	0.8
93.03380	1.2
93.07013	1.1
95.01322	2.2
95.01913	0.8
95.04967	9.6
96.01532	0.8
96.08119	2.2
97.02325	1.3
97.02867	5.2
98.01337	1.4
98.02409	13.2
98.97585	6.8
99.04464	1.9
100.03970	2.8
101.00872	3.2
101.02393	2.5
101.06001	0.8
102.02418	1.3
103.02444	1.3
103.07584	8.1
105.07056	1.1
106.02853	2.4
109.02907	2.1
110.01289	2.1
110.02116	0.7
110.97551	1.0
111.02077	1.1
111.02927	1.0
111.04409	2.0
112.02808	1.4
112.99139	1.2
113.02380	8.3
113.05997	4.5
114.05519	1.2
115.02413	2.6
115.03331	3.2
116.03446	18.2
116.98634	6.0
117.02014	2.4
118.01088	1.1
118.03586	0.9
119.01907	19.1
119.08540	1.2
120.01984	10.6
120.08897	1.2
121.01624	3.6
121.03485	1.4
121.06527	1.0
121.10141	0.9
124.01873	1.1
124.07598	16.5
126.02563	1.0
126.54170	0.9
127.03967	2.6
128.02284	3.4
128.10713	1.4
128.98595	2.3
129.03975	1.8
131.00153	2.7
131.01906	4.0
131.07098	1.7
132.00714	0.9
133.02473	1.2
133.03441	10.6
134.03551	11.4
134.99644	4.1
135.03110	6.5
135.05083	1.2
137.02925	4.3
138.03064	4.6
139.02682	1.7
139.03983	1.5
141.01221	1.0
141.05481	1.0
142.02917	1.5
142.08621	8.0
142.96465	1.0
143.00111	1.0
143.01868	2.2
144.02264	1.0
144.03557	3.5
144.99805	2.0
145.01595	1.3
145.03340	3.7
146.03267	1.0
146.53893	2.2
146.99649	3.0
147.05063	1.9
148.05054	1.0
149.01218	4.1
149.02856	2.2
150.01634	1.0
151.04454	3.2
152.04655	3.0
153.04044	2.3
155.01880	1.0
156.05330	2.2
156.06541	1.3
156.10202	1.6
157.01547	1.0
157.03441	1.5
158.99695	1.9
159.05057	1.6
160.05156	2.7
160.09686	2.8
160.97577	1.3
161.01181	2.7
161.02924	7.1
162.01733	1.8
162.03091	6.9
163.02655	2.0
163.04608	0.9
165.00703	2.2
166.08638	3.3
169.03433	3.3
170.03403	1.2
170.99580	1.3
171.01241	1.0
171.05070	4.1
172.05159	8.3
173.02928	3.3
173.04688	1.8
174.05875	1.3
174.07587	1.2
174.11285	6.4
174.99084	1.6
175.02823	1.6
175.04463	1.8
176.04596	1.6
177.00710	2.0
177.02417	3.0
177.04086	0.7
177.12755	0.9
178.98651	1.0
179.03870	1.1
181.03322	0.8
184.09703	23.3
185.02916	1.6
187.00847	2.2
187.02589	0.8
187.04541	2.9
188.04393	0.8
189.00719	1.6
189.02429	2.1
189.04301	0.8
189.06009	1.0
190.06235	6.8
191.00420	0.9
191.02283	1.4
191.03906	5.0
191.05617	0.9
193.00085	1.2
193.03667	2.2
196.07307	0.9
197.01190	0.9
197.02985	1.8
197.04738	0.9
199.06332	1.5
200.04373	2.3
201.00714	2.4
201.02425	0.9
202.10736	31.6
203.02365	1.2
203.04016	1.0
204.14662	7.6
205.00153	1.7
205.05472	1.6
205.15846	8.4
205.79083	0.8
206.98038	1.0
207.01764	1.0
207.03481	1.1
211.04593	2.0
215.00327	2.7
215.03963	1.9
217.01987	1.6
217.05466	1.1
219.01642	1.5
219.03600	1.5
220.07318	42.2
220.11792	48.7
220.17790	28.8
221.06839	5.2
235.06807	0.9
237.02716	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1015
Annotation	1,2,3-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
55.05498	1.7
57.02017	0.8
67.05484	2.6
69.07040	2.2
69.53419	3.0
69.53847	2.7
71.04958	1.1
79.05483	2.2
81.07058	4.6
81.93697	0.7
83.04977	1.6
91.05479	9.1
93.07038	3.8
95.04963	1.2
95.08587	2.7
97.06537	0.9
98.20786	0.8
98.97572	1.9
103.05446	1.4
105.07031	6.2
105.86983	0.6
107.08601	3.9
108.97971	0.7
109.06512	1.2
109.10111	1.4
115.05448	6.1
116.06228	1.7
116.98619	1.6
117.07020	4.3
119.08582	6.4
121.10139	5.7
123.08041	1.2
128.06212	5.6
129.07001	24.1
130.07767	2.1
131.04933	4.6
131.08560	24.9
132.05740	1.1
133.10129	7.8
135.08078	1.7
135.11710	1.8
137.05933	2.7
141.01474	0.7
141.06990	22.0
143.04909	1.1
143.08549	2.3
144.05666	3.1
145.06517	5.9
145.10156	4.8
146.07251	2.9
147.08023	1.0
147.11661	2.0
148.05112	1.2
157.06497	12.6
158.07265	12.0
159.04402	2.3
159.08064	19.0
159.11684	4.6
160.05238	5.0
161.09634	3.3
161.13318	3.8
163.07495	2.1
163.11234	1.4
165.06981	2.1
169.06477	10.4
170.07231	3.9
173.05954	2.9
173.09592	1.8
173.13225	3.5
174.06770	50.0
175.07518	14.6
175.14819	1.9
185.05962	0.9
186.06754	12.2
187.07620	2.6
188.08263	2.1
189.07040	7.8
189.09099	63.8
190.07780	17.2
190.09483	1.6
191.08566	59.6
191.10562	4.7
191.17926	0.9
192.08839	2.4
201.09088	28.7
201.12791	1.9
201.16379	3.6
203.14294	10.2
219.08038	36.1
219.10152	100.0
219.13773	4.5
219.17424	48.1
220.10539	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1015
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64690	0.4
57.03420	0.3
59.87159	0.3
69.07053	0.6
69.48180	3.5
72.56723	0.4
79.05495	0.4
80.93134	0.3
81.07052	0.7
91.05476	3.3
93.07037	0.8
95.08623	0.4
96.34116	0.3
98.97571	1.1
100.40252	0.3
103.05457	0.7
105.07019	1.5
106.89907	0.4
107.08614	0.9
112.78896	0.4
115.05461	1.9
116.06250	0.9
116.64262	0.3
116.98646	0.9
117.06998	1.2
119.08567	1.6
121.10146	0.7
128.06190	2.2
129.07007	11.8
129.97267	0.3
130.04129	0.3
130.07762	0.9
131.04965	1.7
131.08577	11.9
133.10150	1.8
135.11589	0.4
137.05978	1.4
141.06993	9.7
143.08542	0.9
144.05702	1.4
145.06523	1.9
145.10074	1.1
146.07248	1.6
147.11710	0.4
152.06241	0.4
154.34854	0.4
155.06104	0.4
157.06502	6.5
158.07280	6.0
159.04391	1.3
159.08072	8.0
159.11670	0.5
160.05214	1.5
161.05956	0.5
161.09621	1.4
161.13235	0.8
165.07008	3.1
169.06480	4.4
169.07764	0.4
170.07263	2.0
171.08057	0.6
173.05971	1.0
173.09598	0.4
174.06773	22.7
175.07515	2.9
177.00667	0.5
186.06749	5.6
187.07550	1.3
188.08351	0.9
189.05608	0.3
189.07016	13.0
189.09106	29.5
190.07780	34.2
191.08556	100.0
192.08904	2.4
201.09116	12.8
201.16379	0.4
203.14362	2.9
205.06546	0.6
208.97072	0.4
218.07262	0.6
219.08054	51.7
219.10188	36.3
219.17404	9.5
220.08527	2.4
220.10553	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1848
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	1.1
55.01862	3.2
55.05508	10.8
57.07067	2.3
65.48436	0.7
65.59189	0.9
67.05511	5.5
69.03420	2.8
69.06721	1.2
69.07066	17.0
71.04991	5.6
71.06720	1.7
71.07098	1.6
72.68628	0.8
79.05491	6.1
81.07052	19.8
83.04983	0.8
83.08616	9.3
85.06529	4.6
91.05457	2.8
93.07047	15.0
95.04946	1.1
95.08605	38.1
97.10172	9.4
99.08086	24.8
105.06999	3.7
107.04958	1.5
107.08589	34.9
109.10153	11.9
111.04357	1.0
111.08073	15.4
111.11716	0.9
113.09664	4.2
116.81001	0.9
119.08605	1.7
121.10139	64.0
123.08046	1.5
123.11721	2.7
125.09629	7.0
135.10704	1.0
135.11688	12.3
136.11983	0.9
136.44160	0.8
137.13249	8.2
139.11197	1.5
143.08612	0.9
149.13240	3.7
151.03885	0.9
153.12672	0.9
155.08614	0.8
157.10097	1.7
160.72855	0.9
163.07520	1.3
165.07039	0.9
167.07030	2.9
177.16377	100.0
178.16742	1.1
185.13319	1.0
195.11719	2.3
195.17456	16.8
213.05545	1.0
213.12721	2.5
213.18456	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	213.1849
Annotation	Tectoionol B
Peak:m/z	Relative Intensity
55.01871	5.1
55.05510	38.7
57.03427	2.2
57.07070	8.0
59.04998	5.5
64.82310	1.5
64.96376	1.5
67.05495	13.0
69.03423	2.1
69.07066	95.8
71.04986	14.7
71.08611	2.0
71.26519	2.5
71.26844	1.6
75.05025	1.6
79.05476	10.6
81.07055	52.1
83.04973	8.5
83.08610	17.8
83.76045	1.5
85.06063	2.8
85.06545	36.5
87.08063	1.5
90.38174	1.5
91.05470	5.9
93.07045	29.1
95.08606	74.9
97.06557	7.7
97.10164	17.4
99.08094	25.6
105.07018	4.2
107.04955	10.8
107.08591	45.9
107.95926	1.7
109.02847	2.0
109.06538	1.8
109.10159	23.8
111.08055	6.2
111.11696	9.5
113.09643	11.6
119.04910	2.1
121.10140	72.9
121.11019	3.7
123.11710	14.4
125.09624	7.1
125.13260	1.7
127.03915	4.6
133.10168	1.7
135.08072	5.4
135.11690	35.0
137.13246	39.7
139.11163	13.0
149.13261	8.6
151.14827	6.2
153.12759	13.2
163.07558	6.1
164.45422	1.9
167.07060	24.0
171.11702	1.7
177.16385	100.0
185.13271	2.1
195.10121	3.6
195.17461	25.2
213.12891	3.4
213.16544	2.8
213.18428	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	218.0335
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	3.8
55.47956	1.6
56.05041	1.9
56.05843	2.5
56.96563	13.0
57.07063	1.8
57.56935	1.8
59.76631	1.6
67.05482	2.2
69.63021	2.0
71.60526	2.9
83.04974	6.9
84.05302	7.4
85.85308	1.7
98.97575	90.3
102.79435	1.7
105.06960	1.7
111.04441	6.6
112.04738	8.3
116.98613	100.0
118.03519	2.2
119.01912	11.5
120.01954	2.6
121.01689	2.5
129.05452	3.5
130.03511	2.1
130.05814	5.3
133.03444	4.2
134.02931	8.4
134.04755	1.7
134.99652	91.8
136.04507	2.8
137.02942	5.2
140.00197	4.1
152.04131	2.2
153.00702	19.2
155.07025	4.0
156.00284	2.3
156.07362	19.6
158.01245	20.4
161.02917	2.4
173.02895	2.2
173.08107	3.5
174.08456	17.8
176.02330	9.2
176.04037	9.9
176.05629	1.8
177.00728	22.3
177.03963	1.9
187.56410	1.7
194.03426	2.2
194.05153	2.7
195.01723	18.0
195.05130	1.7
200.10031	2.2
215.01460	1.7
218.05179	5.2
218.11024	25.6
219.01833	9.4
219.07120	4.6
221.54951	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1849
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37756	0.8
53.03920	0.7
55.01865	3.4
55.05511	9.0
57.07061	2.9
59.04986	0.7
67.05504	4.7
69.03426	1.4
69.07066	16.4
69.89325	4.7
71.04998	3.7
79.05497	8.7
81.03406	1.1
81.07056	18.5
83.04962	0.8
83.08617	11.1
85.02896	2.5
85.06562	4.4
87.63543	0.8
91.05468	3.4
93.07037	15.9
95.05018	1.0
95.08605	36.6
96.82260	0.7
97.06530	0.8
97.10169	6.4
98.20828	1.2
99.07477	1.3
99.08094	20.3
102.26060	0.7
103.05456	1.6
105.07031	4.6
105.07690	1.0
107.04962	9.6
107.08591	34.5
109.10154	9.6
111.08076	14.9
113.09619	2.8
115.05380	0.7
119.08582	1.5
121.10138	60.3
123.04478	1.0
123.08083	1.4
123.11665	1.6
123.79118	0.8
125.09637	7.3
127.03934	1.4
129.06961	1.1
135.08035	3.4
135.11697	12.5
137.13237	8.4
139.11188	1.6
143.08531	1.4
145.11955	0.7
148.96292	0.7
149.13286	5.1
156.09247	1.0
157.10103	2.1
163.07536	5.6
165.07007	0.8
167.07045	15.9
171.11774	1.0
177.16382	100.0
178.16737	0.8
180.09283	0.9
181.07536	1.1
185.13272	1.2
195.10118	2.9
195.11682	1.5
195.17444	13.1
213.09233	1.0
213.12820	1.8
213.16351	3.1
213.18500	7.5
216.77107	0.7
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	Vulgarole
Peak:m/z	Relative Intensity
52.63192	0.9
55.05499	3.4
55.95347	0.9
56.96562	1.4
57.07071	1.5
59.04984	4.3
63.05005	0.9
66.73630	1.0
67.05500	8.0
69.03419	2.1
69.07067	11.5
70.05251	3.7
71.04971	2.8
79.05483	3.2
81.07043	7.9
83.08611	3.6
88.07619	2.8
91.05470	5.7
91.46081	1.0
93.07038	44.6
95.04990	1.7
95.08603	28.5
97.06528	25.4
105.07047	2.2
107.08585	48.3
109.10146	41.2
109.10917	1.1
111.08083	1.7
111.11679	1.6
111.66137	1.1
119.08566	1.7
129.07010	1.1
135.11684	56.8
143.08549	2.0
147.66058	1.0
153.12735	100.0
154.13055	1.6
156.97496	0.9
157.10120	3.7
165.06985	1.5
167.07011	1.1
185.13390	2.0
185.90633	1.1
195.11731	2.9
195.13736	1.7
213.09090	1.9
213.12743	3.9
213.14867	7.4
213.15958	1.6
213.16594	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1484
Annotation	Vulgarole
Peak:m/z	Relative Intensity
50.08040	0.8
53.03948	1.1
55.05500	2.6
55.83952	1.0
56.96552	1.0
59.05003	2.0
60.72678	0.9
66.00507	0.8
67.05495	6.2
69.03423	1.6
69.07068	12.0
71.04987	3.3
71.12608	2.0
79.05492	3.9
81.07048	8.0
83.04985	1.2
83.08615	3.3
88.07644	2.4
91.05475	3.4
93.07041	37.7
95.04968	1.8
95.08607	28.6
97.06528	27.0
105.07039	3.0
107.08590	46.9
109.06510	1.3
109.10151	36.6
111.08067	2.2
111.11699	2.9
113.01839	1.0
123.11681	1.0
125.13265	1.0
128.06152	1.0
129.07089	1.1
135.11690	54.1
136.11967	1.2
136.89873	1.0
143.08583	3.6
148.97336	1.0
153.12740	100.0
154.13078	1.0
157.10104	2.0
160.21613	1.1
165.07010	1.2
167.07088	1.1
167.08522	1.2
169.10179	1.0
171.08057	1.5
180.09299	1.8
185.13181	1.9
195.08099	1.3
195.09946	1.3
195.11661	2.5
195.13699	0.9
199.05621	1.1
213.09108	2.3
213.12766	6.1
213.14842	4.1
213.16586	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.112
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	1.1
54.30984	0.9
55.01853	1.4
55.05511	28.5
56.96560	0.9
57.03418	1.1
57.07072	5.0
67.05495	2.8
69.03423	2.1
69.07056	1.6
69.45075	2.1
69.45479	6.6
70.06582	1.8
78.04698	1.6
79.05492	7.8
80.42435	0.9
81.03429	1.4
81.07037	3.2
82.06574	1.6
83.04980	3.6
83.08614	13.9
85.06522	1.1
86.09734	0.8
91.05458	5.7
91.58123	12.8
93.07058	2.1
95.04956	3.2
95.08588	3.0
97.10207	0.9
98.09704	3.5
100.07603	3.8
100.11258	67.4
101.11590	3.0
103.05459	7.4
105.07027	5.3
107.04956	56.9
107.08603	3.1
109.06543	1.3
111.04462	4.4
111.08049	1.1
112.07600	2.2
115.05437	2.3
116.98611	1.9
117.13895	3.1
119.08640	1.0
120.05738	2.0
121.10112	1.4
123.04460	4.6
123.11682	1.2
124.05243	3.9
125.05971	1.9
126.09167	6.5
127.03910	3.0
128.07063	1.3
129.05489	1.1
131.04912	2.3
135.08058	12.8
135.11716	1.1
137.06020	1.8
139.03961	1.1
140.04755	1.1
140.10680	1.4
141.11484	44.6
141.61685	8.4
143.08562	2.6
143.11819	1.8
145.06468	1.2
151.03873	1.5
152.04645	1.3
154.06268	3.6
154.12276	11.5
155.08537	1.7
155.11235	10.8
155.12445	1.6
155.61469	1.1
157.10141	2.5
163.07541	30.1
165.07048	1.1
167.07045	100.0
170.10931	1.1
171.08063	1.5
172.15704	2.3
177.16241	1.0
180.07866	2.2
180.09360	1.5
181.04968	1.8
182.15411	33.0
183.15767	2.2
185.13289	2.0
193.76434	0.8
195.10176	18.6
195.11739	3.4
199.18063	30.0
200.18454	2.7
204.66487	3.7
209.16527	3.0
210.14957	4.5
213.05568	3.3
213.09225	2.2
213.11186	4.5
213.13100	5.1
213.17830	54.1
213.67928	10.3
225.15977	5.7
227.17574	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.091
Annotation	PINOSYLVIN
Peak:m/z	Relative Intensity
53.21239	0.3
55.01876	0.6
65.03928	1.5
69.03419	0.5
70.08381	0.9
79.05488	0.4
91.05479	79.0
92.05798	0.7
95.04975	4.0
105.03398	0.4
107.04955	8.1
110.03746	0.3
119.04939	100.0
120.05751	8.9
121.02850	1.6
128.06192	0.4
129.07027	0.5
131.04897	0.5
141.07042	0.7
144.05714	0.9
145.06493	0.6
152.06209	4.9
153.06975	0.3
157.06471	2.3
157.10045	0.3
160.07710	0.3
160.23326	0.3
165.06989	5.1
165.85468	0.4
166.07796	2.1
167.08556	7.7
169.06491	0.9
170.07256	0.5
171.04448	0.3
171.08028	0.7
176.06181	1.8
177.06990	6.0
178.07788	0.3
181.06401	0.4
183.08057	0.7
185.09607	1.0
185.90628	0.3
194.07251	1.0
195.08070	6.8
196.08647	0.3
198.06737	1.2
199.07422	0.4
213.09100	28.2
214.09369	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.0911
Annotation	Benzyl benzoate
Peak:m/z	Relative Intensity
51.02374	0.3
53.03947	0.4
55.01872	0.8
55.05510	0.7
57.07067	0.6
60.93982	0.4
64.71294	0.3
65.03929	1.6
67.05505	1.2
69.03428	0.8
69.04340	0.3
69.07064	0.8
70.06633	0.3
70.64420	0.6
70.64787	0.7
71.04996	0.4
74.53298	0.3
79.05476	1.0
81.07056	1.7
83.08611	0.6
88.07629	1.0
91.05483	77.1
92.05804	0.5
93.07050	1.4
95.04977	4.7
95.08598	0.7
105.03382	0.5
105.07018	0.6
107.04959	9.6
107.08602	0.9
108.69671	0.3
109.10116	0.4
119.04945	100.0
120.05756	7.4
121.02863	1.8
121.10150	0.6
128.06239	0.7
129.06999	1.5
131.04883	0.5
131.08624	0.4
135.11656	0.8
141.06985	0.7
142.07773	0.6
143.08569	1.6
144.05719	0.6
145.06537	0.8
147.04497	0.6
148.04752	0.4
148.97444	0.4
149.13266	0.6
152.06230	5.6
153.07031	0.7
155.08530	1.0
157.06487	2.6
157.10095	1.5
165.07010	6.1
166.07797	2.0
167.07092	0.8
167.08551	8.0
169.06494	0.9
169.10147	0.5
170.07306	0.7
171.08069	1.6
171.11740	0.5
176.06219	1.8
177.06998	5.1
179.08563	0.4
180.09369	0.9
181.06506	0.4
183.08136	0.7
185.02930	0.4
185.09650	1.7
185.13255	1.2
194.07291	1.0
195.08069	7.1
195.11667	1.4
195.13690	0.5
197.05989	0.4
198.06657	0.9
201.71126	0.3
212.08223	0.4
213.09123	28.0
213.12543	3.4
213.16251	0.7
213.18304	0.4
214.09561	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.0909
Annotation	PINOSYLVIN
Peak:m/z	Relative Intensity
53.29282	0.4
55.01856	0.6
65.03925	2.0
71.04868	1.0
72.21502	0.4
91.05476	69.0
92.05809	0.9
95.04967	4.2
105.03389	1.0
105.25448	0.5
107.04949	7.9
119.04937	100.0
120.05749	7.1
121.02875	1.6
137.96101	0.4
138.24101	0.4
141.07004	0.7
144.05737	0.7
144.83345	0.4
145.06534	0.4
152.06190	4.2
153.07019	0.5
157.06503	1.4
165.06993	3.2
166.07765	1.4
167.08554	7.2
169.14726	0.4
170.07172	0.5
171.08083	0.6
176.06238	1.4
177.06978	5.8
185.09621	1.5
194.07274	0.7
195.08052	6.4
198.06779	1.4
200.21219	0.4
213.09096	31.5
214.09406	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1691
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
53.03932	1.6
55.01863	1.6
55.05511	17.3
57.03427	4.6
57.07068	5.3
67.05503	29.8
69.03407	3.5
69.06714	1.6
69.07063	15.3
69.56707	6.6
69.57111	3.0
71.04986	6.2
71.08625	2.2
79.05490	7.5
81.07055	35.6
83.04980	10.6
83.08613	17.1
85.06528	5.8
91.05460	5.0
93.07040	17.3
95.04971	3.9
95.08603	58.2
97.06500	7.8
97.10146	3.7
99.08090	3.2
105.07027	11.4
107.08593	31.2
109.02869	1.3
109.06503	15.1
109.10152	100.0
111.08072	42.3
113.05980	1.5
113.09627	2.2
119.08572	40.0
121.09312	2.0
121.10146	26.9
123.04419	4.4
123.08066	44.3
123.11702	16.5
125.09628	4.9
127.11182	2.5
133.10124	40.0
135.11687	59.5
137.09610	89.4
137.13243	4.2
138.10429	6.7
139.11154	4.1
147.11664	7.6
149.13246	12.9
151.07527	1.7
151.11197	6.6
151.14828	10.6
153.12700	1.5
163.11215	2.8
165.12762	10.5
165.16405	4.2
167.07022	32.8
168.07347	2.1
175.14819	58.9
175.78905	1.3
178.13493	2.2
179.07050	6.5
180.36852	1.3
181.08733	1.6
193.08594	1.1
193.15878	39.1
193.17628	1.9
211.09433	1.5
211.16922	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	213.0756
Annotation	C-veratroylglycol
Peak:m/z	Relative Intensity
53.03912	1.1
61.02928	9.4
65.03932	6.9
67.05488	2.8
69.07043	1.3
71.35155	2.2
71.35512	1.3
79.05488	15.9
81.03369	1.3
81.07070	1.0
85.02936	1.0
91.05451	4.1
93.03400	4.1
93.07049	1.4
95.04960	4.5
97.06557	1.1
99.05623	1.1
105.03419	1.8
107.04946	25.0
108.02102	3.1
109.02864	1.3
109.06555	1.4
110.03652	23.6
111.04438	14.4
119.04984	1.5
121.06497	8.6
122.03619	5.4
124.05223	1.3
125.05983	66.2
129.07027	1.5
133.02849	12.1
135.04390	23.8
137.05980	5.1
141.05438	3.7
143.07063	1.2
143.08536	1.6
148.97469	1.3
149.05966	24.1
150.03123	9.9
151.03896	100.0
151.05003	9.1
153.05443	13.9
156.70697	1.1
158.62881	1.0
162.03177	1.3
163.03874	9.0
165.05472	40.1
165.06876	2.0
167.07011	17.7
173.84026	1.0
177.05443	20.6
185.13248	1.1
192.30510	1.0
195.06488	16.2
195.11703	2.2
213.07526	11.1
213.12747	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.0908
Annotation	PINOSYLVIN
Peak:m/z	Relative Intensity
55.01869	0.5
55.87540	0.3
65.03941	1.7
69.03415	0.5
69.63352	2.9
85.39619	0.3
91.05475	72.9
92.05798	0.6
95.04958	4.0
105.03418	0.5
107.04951	9.2
108.46700	0.3
119.04933	100.0
120.04449	0.4
120.05743	7.4
121.02855	1.7
128.06232	0.5
129.07033	0.5
143.08569	0.4
144.05730	0.6
152.06198	5.7
153.06947	0.6
157.06505	1.9
165.07005	4.5
166.07745	1.7
167.08543	7.7
169.06487	0.6
170.07175	0.7
171.08044	0.5
176.06194	2.1
177.06992	5.1
181.06523	0.4
183.08080	0.6
185.09612	1.2
194.07260	0.5
195.08017	6.2
198.06711	1.3
211.07562	0.4
212.26286	0.3
213.09090	29.8
214.09412	0.5
216.65637	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.0908
Annotation	PINOSYLVIN
Peak:m/z	Relative Intensity
65.03939	1.2
69.03414	0.4
70.67513	1.0
91.05477	58.1
92.05806	0.8
95.04956	3.8
98.20819	0.4
105.03390	0.5
107.04957	6.4
114.24117	0.3
117.08566	0.3
119.04937	100.0
120.05748	6.4
121.02854	1.7
121.69798	0.3
141.07040	0.3
152.06158	2.9
153.06944	0.3
157.06479	1.4
165.07004	2.8
166.07761	1.3
167.08580	6.2
169.06505	0.6
170.07359	0.4
171.04382	0.4
171.08119	0.5
176.06210	1.2
177.06984	4.0
185.09593	1.1
194.07297	0.4
195.08066	6.1
198.06697	0.8
211.07439	0.4
213.09091	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	213.091
Annotation	PINOSYLVIN
Peak:m/z	Relative Intensity
53.03951	0.3
54.04144	0.3
55.01867	0.5
55.05508	0.6
57.07076	0.4
65.03939	1.6
69.03426	0.7
69.07064	0.9
69.49426	0.3
69.54021	2.0
69.91692	0.3
79.05473	0.7
81.07053	0.3
88.07616	0.3
91.05478	75.6
92.05804	0.7
94.21579	0.3
95.04963	3.5
98.21472	0.5
105.03397	0.7
107.04957	8.4
107.08578	0.5
111.11750	0.5
119.04939	100.0
120.05762	7.1
121.02872	1.1
129.07005	0.5
131.04964	0.4
142.07846	0.5
143.08556	0.8
144.05727	0.5
145.06467	0.6
152.06203	5.1
153.07005	0.6
155.08565	0.3
157.06509	2.5
157.10098	0.9
165.07005	4.6
166.07767	1.7
167.07108	0.4
167.08557	7.3
169.06503	0.5
170.07306	0.4
171.04352	0.4
171.08057	0.7
176.06212	2.1
177.07001	5.7
178.07793	0.4
181.06416	0.4
183.08026	0.6
185.09599	1.1
185.13210	0.4
194.07265	1.0
195.08061	7.1
195.11740	0.7
196.08662	0.3
197.06004	0.5
198.06757	1.5
212.08133	0.4
213.09102	29.3
213.12634	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.0909
Annotation	PINOSYLVIN
Peak:m/z	Relative Intensity
51.79401	0.4
65.03925	1.4
67.98369	0.5
69.29614	3.0
69.30036	1.9
72.51954	0.4
75.63166	0.5
86.39282	0.4
91.05477	75.1
92.05763	0.6
95.04971	3.6
98.21492	1.0
107.04955	8.1
111.81405	0.4
119.04937	100.0
120.05743	8.1
121.02848	2.1
129.39087	0.5
141.57190	0.4
144.05663	0.8
145.06508	0.7
152.06206	4.5
153.06873	0.5
157.06499	1.8
165.06987	4.2
166.07751	1.6
167.08571	6.6
169.06465	0.9
170.07228	0.8
171.08054	0.6
176.06189	1.6
177.06958	5.3
181.06378	0.5
182.85849	0.4
183.08014	0.6
185.09665	1.3
194.07256	0.6
195.08051	7.1
198.06795	1.2
211.07574	0.5
213.09099	26.6
219.01578	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1328
Annotation	Ieodomycin B
Peak:m/z	Relative Intensity
50.19189	1.7
52.95113	1.8
53.03942	3.6
55.01856	5.3
55.05261	2.9
55.05511	45.3
56.96291	3.7
56.96564	59.5
57.03437	11.5
57.07068	4.3
57.13837	2.0
59.04996	2.1
62.68680	1.6
65.03920	3.1
67.05170	2.6
67.05503	32.9
69.03422	12.5
69.07066	18.0
70.45786	4.7
71.04981	8.0
74.97597	2.4
78.04699	3.0
79.05493	29.6
81.03413	86.5
81.07053	55.3
83.04977	61.1
83.08617	37.8
84.96043	10.3
85.02876	4.6
85.06531	8.1
91.05479	38.3
92.67929	2.0
93.07044	26.5
95.04961	37.7
95.08607	25.6
97.02864	4.9
97.06544	6.6
97.10165	6.9
97.99183	10.3
99.04465	3.9
99.08076	5.1
102.97033	2.6
105.06374	3.2
105.07029	33.6
107.04919	7.8
107.08586	32.7
109.06509	15.9
109.10159	36.9
111.04449	1.9
111.08074	13.8
113.05975	2.9
115.05450	2.2
116.00233	16.9
119.04943	5.1
119.08578	26.0
121.06489	4.9
121.10142	14.1
123.04427	8.2
123.08094	8.6
123.11690	24.7
127.07473	2.6
129.07013	10.4
131.08556	11.1
133.06436	4.5
133.10117	27.1
134.01230	4.5
135.11684	18.6
137.05968	4.3
137.09615	7.5
137.13380	1.8
139.01788	3.6
141.06944	2.3
142.07762	3.0
143.99670	3.3
145.23256	2.0
147.04416	18.7
147.08075	4.5
147.11681	17.5
149.05933	2.8
149.09625	5.3
149.13258	3.3
151.03899	3.9
151.11217	19.1
151.14806	4.0
157.10127	14.6
165.07021	2.4
165.09019	2.2
165.12756	4.2
167.07043	100.0
169.12271	3.2
170.05853	1.8
175.11166	22.0
175.14795	8.2
179.07001	6.3
181.08611	2.4
193.08719	3.5
193.10422	2.9
193.12230	54.9
193.15874	7.2
211.05887	2.7
211.07590	4.6
211.11305	3.6
211.13202	35.8
211.14632	2.6
211.16692	2.5
212.05934	2.8
229.07248	2.3
230.06955	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	211.1691
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
51.38544	0.7
55.05510	12.3
57.03432	1.0
57.07071	4.2
59.04991	1.9
67.05505	22.9
69.03431	7.0
69.07066	15.9
71.04995	2.8
79.05498	3.5
81.07049	23.6
83.04981	11.9
83.08625	9.0
83.95470	0.7
85.06541	4.4
91.05497	3.0
93.07037	8.6
95.04985	2.3
95.08601	34.9
97.06505	1.2
97.10169	3.2
98.21537	1.2
99.08086	3.2
103.01804	0.7
105.07022	7.1
107.08590	25.4
109.06522	12.1
109.10155	100.0
111.08086	3.7
111.11646	0.8
113.09631	2.5
119.08578	21.5
119.39374	0.8
121.10145	11.1
123.08070	14.9
123.11704	9.2
125.09672	1.4
127.11212	1.6
133.10121	19.0
135.11688	66.5
137.09608	17.8
139.11177	3.0
147.11691	1.7
149.13243	4.9
151.11185	11.6
151.14822	11.9
153.12762	3.5
159.91162	0.9
165.16403	2.9
175.14819	22.5
179.07021	0.8
193.15874	20.3
211.16939	4.0
214.59027	0.9
229.49805	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1692
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
53.03942	1.7
54.22691	0.7
54.95618	0.8
55.01869	1.0
55.05516	11.4
55.08867	0.7
56.96566	6.0
57.03436	1.4
57.07077	4.8
59.04982	2.6
59.56520	0.8
65.03909	0.8
66.57419	0.8
67.05503	26.1
67.85201	0.8
69.03426	8.7
69.07066	16.7
69.72619	5.7
71.04991	5.4
71.08610	1.3
78.04715	1.4
79.05489	5.9
81.03417	2.4
81.07058	31.5
83.04980	12.9
83.08617	10.5
85.02901	1.4
85.06560	4.8
87.72221	0.8
91.05474	4.5
93.07047	13.0
95.04967	4.1
95.08608	40.0
97.06526	2.2
97.10145	3.2
97.99184	1.7
99.04414	1.2
99.08117	4.3
105.07022	10.3
107.08588	24.6
109.06514	13.5
109.10155	100.0
111.08075	4.4
113.09650	2.2
116.00220	1.6
117.06961	0.9
119.04945	1.7
119.08584	26.0
120.08936	0.7
121.06509	1.8
121.10139	11.7
122.07294	0.8
123.04432	6.0
123.08074	16.1
123.11706	11.4
124.05196	1.2
125.09631	2.1
127.11203	1.7
133.06541	0.9
133.09116	1.3
133.10135	23.4
135.11691	73.3
136.12010	1.1
137.09615	16.7
139.11186	3.1
147.04462	1.1
147.11688	2.6
149.06015	2.6
149.13297	5.5
151.03908	1.6
151.07558	2.6
151.11177	12.3
151.14836	12.6
153.12717	3.7
155.03485	1.7
165.16391	3.4
167.07037	40.5
168.07291	1.1
169.10114	1.4
170.05763	3.6
175.11322	0.8
175.14825	24.5
179.07053	6.9
181.08568	2.1
193.08640	1.5
193.12285	1.6
193.15892	20.9
196.05240	0.9
199.81569	0.8
205.98729	1.0
211.07632	0.9
211.09608	1.5
211.11411	1.1
211.13130	1.3
211.15047	1.6
211.16945	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	211.0964
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.6
53.96045	0.3
55.01875	1.1
65.03933	0.8
67.05511	1.9
68.78825	0.3
68.99804	0.5
69.58379	0.4
69.58713	3.1
79.05483	3.9
81.03435	0.5
81.07061	0.6
91.05478	5.8
93.07018	1.8
95.04962	5.3
95.08608	1.6
103.05451	2.4
105.07033	5.2
107.04973	1.2
108.05722	0.8
109.02897	0.5
109.06498	0.6
109.10165	0.5
110.03683	1.6
111.04445	0.8
115.05468	0.5
118.04166	1.1
119.04944	4.3
119.08646	0.4
120.05729	0.6
121.02859	0.6
121.06492	1.4
123.04425	40.8
123.08047	3.6
123.11701	0.4
131.04909	0.5
133.06485	3.2
133.10133	0.6
135.04453	0.7
135.11659	0.9
136.05199	1.0
137.06004	1.2
146.07314	0.4
147.04405	4.6
149.05956	2.8
150.06738	2.6
151.03949	2.8
151.07539	25.7
161.05956	0.9
161.07104	1.5
164.04703	0.5
165.09126	2.5
167.07031	7.0
175.14755	0.6
179.07025	100.0
180.07478	1.9
181.08595	1.5
193.08612	6.6
211.09633	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	211.1329
Annotation	1S-Acetoxy-3-myodesertene
Peak:m/z	Relative Intensity
55.01868	0.7
55.05508	2.5
56.96567	13.2
57.03436	1.1
57.07071	3.8
57.78452	0.5
58.84146	0.6
59.04976	0.9
67.05503	7.1
67.50474	0.5
69.03415	1.8
69.07052	2.7
70.09724	0.6
70.96416	0.5
71.04983	1.7
71.59198	1.2
73.79547	0.4
76.53170	0.5
79.05487	4.9
81.03424	1.4
81.07056	34.0
83.04961	1.7
83.08614	1.0
83.78501	0.5
84.96033	2.4
85.02932	0.5
85.06550	1.0
91.05491	5.3
93.07041	7.3
95.04962	2.9
95.08601	9.6
97.06541	1.3
97.10162	0.7
97.99195	3.1
99.04495	1.0
105.07027	8.3
107.08594	34.3
109.06528	14.4
109.10153	17.4
113.10986	0.5
116.00212	4.1
119.04979	0.8
119.06020	0.8
119.08585	3.5
121.06576	0.6
121.10130	4.2
123.04427	0.7
123.08047	2.3
123.11707	100.0
124.12074	1.5
125.09603	1.1
131.08563	0.6
133.09108	0.9
133.10127	17.1
134.01231	1.4
135.11708	4.5
137.05995	0.7
137.09615	1.5
139.01845	0.7
142.23926	0.5
143.99669	0.7
146.99683	0.6
147.04417	1.8
147.11714	1.2
151.03885	0.6
151.06438	0.8
151.11185	40.6
159.10388	0.6
162.00711	0.6
165.05556	0.7
167.07048	7.2
167.08472	0.9
167.95854	0.5
169.12190	2.9
170.05746	0.7
175.14856	1.8
179.07114	1.0
193.04977	0.9
193.12241	1.0
193.15952	1.1
209.16888	0.6
211.07701	1.2
211.11324	0.6
211.13248	13.9
211.16856	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0964
Annotation	Methyl 2,4-dihydroxy-3,5,6-trimethylbenzoate
Peak:m/z	Relative Intensity
53.03939	0.8
55.01868	1.2
55.05494	0.7
57.03445	0.4
60.92258	0.3
65.03943	1.2
67.01871	0.3
67.05507	2.6
68.99773	0.8
69.03431	0.4
69.07050	0.4
69.57361	2.2
71.04993	0.3
77.03944	0.3
78.04695	0.3
79.05485	3.0
80.06310	0.3
81.03417	0.5
81.07056	0.8
83.04978	0.8
85.02883	0.4
91.05482	5.8
93.03393	0.5
93.07037	1.9
95.04971	5.0
95.08624	1.6
98.21539	0.2
103.05457	2.2
103.54373	0.3
103.81013	0.3
105.03387	0.3
105.07026	6.6
106.04196	0.4
107.04961	1.2
107.08559	0.7
108.05753	0.6
109.02886	0.6
109.06510	1.2
109.10146	0.5
110.03646	2.3
111.04410	0.7
115.05442	0.5
118.04161	1.7
119.04951	4.3
119.08569	0.5
121.02861	0.8
121.06500	2.3
121.10083	0.3
122.07297	0.2
123.04424	41.5
123.08064	3.4
123.09979	0.3
124.05217	0.3
125.05962	0.3
133.06493	4.0
133.10117	0.7
135.04425	0.6
135.08054	0.6
135.11705	0.7
136.05202	1.2
137.05997	1.4
137.09633	0.5
141.05460	0.3
147.04417	4.0
147.11670	0.6
149.05969	2.7
150.06773	1.4
151.03918	2.9
151.07539	23.4
151.13129	0.3
152.04732	0.3
155.06973	0.3
161.05893	0.7
161.07126	1.4
165.09125	1.8
167.07053	8.4
179.07027	100.0
180.07523	1.5
181.08667	1.5
186.92645	0.3
193.08591	6.9
193.12137	0.3
193.15874	0.6
206.25856	0.3
211.09650	19.2
211.15173	0.6
211.16962	0.3
212.10109	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	210.1487
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.3
55.01847	1.4
55.05490	4.2
58.06588	6.8
59.04981	4.2
60.04522	23.9
65.03934	1.3
67.05510	8.1
69.07053	2.5
70.06577	4.2
71.23186	1.1
71.23557	2.9
78.78983	1.2
79.05487	6.9
81.07059	15.6
83.42754	1.2
91.05484	11.2
92.05778	2.7
93.03407	1.4
93.07035	18.5
94.03730	1.4
94.06580	10.7
95.04936	7.2
95.07297	2.7
95.08600	2.8
96.08177	1.4
100.07603	4.2
105.07025	32.5
106.04134	2.7
107.04468	3.5
107.07388	2.2
107.08589	41.9
108.08108	49.4
108.08859	2.3
109.06507	6.7
109.08958	6.3
109.10143	28.1
116.64122	1.1
120.08047	1.4
121.06503	4.3
121.08855	1.6
121.10101	1.5
122.06841	5.3
122.09662	69.3
123.04436	12.9
123.08078	2.4
123.11695	9.4
124.05207	1.2
124.11227	8.5
131.08467	1.9
133.10121	56.0
135.10365	2.9
149.05984	3.5
149.09615	2.1
150.06317	7.7
150.10091	8.0
150.12770	86.4
151.07591	6.2
151.11165	33.5
154.09457	2.9
167.07042	7.4
168.13780	5.7
178.05753	3.8
179.07013	24.8
182.09010	3.0
192.14301	1.2
210.08514	2.5
210.11903	18.9
210.14867	100.0
211.09656	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	211.0964
Annotation	Methyl 2,4-dihydroxy-3,5,6-trimethylbenzoate
Peak:m/z	Relative Intensity
53.03927	3.3
55.01870	10.5
55.05484	2.9
56.96552	1.7
57.03427	2.0
57.07038	1.1
59.04981	1.7
61.02903	0.8
65.03924	4.7
67.05498	5.6
69.03397	3.5
69.03720	0.7
69.07043	2.9
70.43311	1.6
70.43707	1.6
71.04963	3.5
78.04683	2.7
79.05494	15.2
81.03401	1.9
81.07050	8.7
83.04955	2.2
83.08575	1.3
83.43970	0.9
85.02876	2.3
85.06520	1.0
89.03941	0.9
91.05480	75.4
92.05789	1.3
93.07048	8.5
94.04156	1.5
95.04971	12.0
95.08596	6.4
97.02854	2.3
97.06506	2.2
98.97572	0.9
99.04421	1.3
99.08061	2.2
99.29175	0.8
103.05474	9.1
105.03391	15.7
105.04502	1.7
105.07033	20.6
106.04198	1.7
107.04955	32.3
107.08582	4.5
108.05701	3.5
109.05798	1.6
109.06513	23.9
109.10150	10.0
111.04414	1.4
111.08025	1.1
113.02341	0.9
115.05441	1.7
118.04137	3.8
119.04940	100.0
119.08535	2.9
121.05680	1.7
121.06507	27.3
121.10122	1.4
122.03562	1.4
122.07291	1.8
123.04427	8.6
123.07325	1.1
123.08059	12.8
123.11678	1.9
124.05196	3.8
125.02374	0.8
125.05972	2.3
125.09598	2.0
127.03897	1.2
131.04860	1.7
133.06477	13.6
133.10133	5.4
134.03629	16.2
135.04369	3.1
135.07994	2.8
135.11667	6.1
136.05153	2.2
137.05988	8.5
137.09569	2.8
138.03140	0.8
140.04617	1.8
147.04407	20.3
147.11690	1.5
149.05981	35.8
149.13254	1.1
150.06612	1.1
151.03868	2.6
151.07538	53.1
152.04710	1.1
152.07896	0.9
153.05476	13.6
153.06734	1.5
154.09821	0.7
155.08475	1.1
161.05981	9.8
165.05414	3.5
165.06953	2.7
165.09035	1.6
165.12845	0.9
166.06218	2.7
167.07034	57.8
168.05669	1.3
168.07825	10.6
175.14833	3.9
179.07039	22.6
181.08598	9.2
183.06503	1.3
183.08040	1.4
191.57030	0.7
193.08517	2.9
193.12222	1.7
193.15950	2.1
196.07249	5.4
197.01183	1.0
200.05191	1.5
205.77954	0.7
211.07529	6.2
211.09586	34.3
211.11256	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	210.1487
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71210	1.0
52.44595	1.1
55.05498	2.6
58.06606	6.6
59.04973	3.0
60.04263	1.2
60.04525	14.9
67.05496	7.7
69.07085	2.5
69.27170	5.8
69.27599	5.4
70.06574	3.6
74.17735	0.9
79.05491	5.7
81.07042	9.4
82.06574	1.1
84.08131	2.7
91.05447	4.5
93.05754	1.5
93.07050	10.4
94.06014	1.7
94.06558	13.9
95.04937	1.5
95.07342	2.5
95.08571	3.2
96.08140	1.5
100.07590	3.4
105.07021	24.7
107.07372	1.8
107.08594	28.2
108.08115	59.0
109.06503	4.2
109.08972	5.5
109.10145	18.7
120.08115	2.3
121.08868	2.1
121.10139	2.5
122.09661	74.7
123.08055	1.9
123.11700	5.7
124.11220	9.3
131.08551	2.0
133.10126	47.7
134.09633	1.6
135.10399	3.2
150.12772	100.0
151.11185	15.5
151.13034	1.3
161.91716	1.1
168.13893	5.6
175.11177	1.2
177.47005	1.0
192.13870	3.5
200.52768	1.1
210.14873	67.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1535
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	4.7
55.05265	1.9
55.05508	25.6
57.03429	1.8
57.07061	5.4
59.04995	4.7
67.05501	13.1
69.03420	6.6
69.07055	8.0
71.04969	6.2
79.05493	6.0
81.07052	19.1
83.04980	49.8
83.08626	11.0
85.06535	5.6
91.05468	7.8
93.03388	1.9
93.07047	19.9
95.04970	27.6
95.08606	18.0
97.06533	13.8
97.10166	5.0
99.04474	2.8
99.08065	3.4
105.07027	10.3
106.04178	4.5
107.04947	3.3
107.08596	27.1
109.06515	100.0
109.10149	31.6
111.08035	11.2
113.05966	2.2
113.09601	2.3
118.78877	1.7
119.08588	4.6
120.76579	2.1
121.06512	5.7
121.10126	20.4
123.08053	11.9
123.11704	6.1
125.05927	1.9
125.09623	21.0
127.07535	2.3
131.08578	9.8
133.10143	24.1
135.08052	25.3
135.11679	8.9
137.09624	3.7
139.07495	3.3
145.10081	5.0
147.11722	3.8
149.05945	9.5
149.09607	23.8
149.13219	15.6
151.11183	21.0
153.09109	21.3
158.10883	3.0
163.14769	9.1
165.12646	2.3
167.07037	5.8
167.10764	2.4
167.14314	18.0
173.13255	18.3
177.05461	5.4
191.14313	35.2
209.04445	5.7
209.07980	2.5
209.13461	3.0
209.15375	48.4
217.44603	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	210.1124
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.4
55.05510	0.5
56.05036	0.6
56.96562	1.9
57.03443	0.4
57.56855	0.3
58.95864	0.3
59.06115	0.3
60.04533	1.1
62.06086	0.6
65.03933	0.4
67.05517	0.6
68.05047	0.4
69.03439	1.0
69.07073	0.8
69.60884	2.4
70.02952	0.3
70.06609	0.6
71.04968	0.5
72.04510	1.7
72.93785	0.3
73.02921	0.7
74.06094	0.5
75.85696	0.3
79.05487	2.3
81.03424	0.5
81.07051	0.5
83.04992	0.6
84.04539	0.3
84.08138	0.6
84.96074	0.4
85.02920	1.1
91.05472	4.4
92.05807	0.4
93.07053	1.3
95.04967	1.0
95.06104	0.3
95.08611	0.6
97.02900	0.9
97.06532	0.3
97.07629	0.4
98.97593	0.5
101.04767	0.4
103.05466	4.9
103.95608	0.3
105.07027	7.8
105.52617	0.3
107.04956	3.2
107.08617	0.8
108.05237	0.3
108.08125	0.3
109.06518	0.6
109.07615	0.4
109.10146	0.6
110.06048	0.3
110.06881	0.4
111.04470	0.7
111.95893	0.3
115.02273	0.3
115.05482	0.3
116.98628	0.7
117.05738	1.4
117.07008	2.9
118.05077	0.4
118.06536	3.1
119.04922	0.5
119.07316	6.4
119.08604	1.2
120.08108	7.2
120.08935	0.6
121.06495	1.3
121.10113	0.4
122.06841	0.5
122.10518	0.4
123.04416	0.5
125.02392	0.4
125.09632	0.3
128.06247	0.8
129.03905	0.3
129.07013	4.6
130.06480	0.6
131.04921	1.9
131.07286	1.5
133.10135	1.6
134.09616	0.4
134.99649	0.4
136.08516	0.3
137.06004	0.7
144.08090	1.0
146.06000	0.4
146.09647	6.9
146.99620	0.5
147.04390	0.3
147.08051	0.6
149.05978	0.8
150.05382	0.5
150.06445	0.4
150.10127	0.3
150.12723	0.6
151.11162	0.4
152.11748	0.4
158.99582	0.4
161.01259	0.4
163.03896	0.6
163.97739	0.9
164.10706	100.0
165.11040	1.1
167.07048	0.8
169.03528	0.5
169.11147	0.3
170.05699	0.3
174.13675	0.3
175.11732	0.4
177.00740	0.5
178.03795	2.0
178.05774	0.7
181.98712	0.6
182.09435	0.4
192.06566	0.7
192.10187	1.1
192.13850	0.6
201.06088	0.3
202.06798	0.3
205.00319	0.4
205.98808	0.4
210.07732	1.0
210.11230	18.9
210.15431	1.3
211.02754	0.9
211.07346	0.8
211.11456	0.5
219.07065	0.4
234.04256	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1536
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03938	1.9
55.01863	2.6
55.05496	3.0
57.07077	1.5
65.03930	2.7
67.05490	4.1
69.03426	7.1
69.07063	3.2
69.75049	0.9
70.12615	5.1
71.04989	1.3
75.04484	1.9
78.04696	0.9
78.18775	0.8
79.05498	8.9
81.07057	14.7
83.04962	3.0
83.08601	2.0
85.02903	1.3
85.06569	0.8
89.03896	1.8
89.99847	0.8
91.05486	16.2
93.03388	3.6
93.07044	7.1
95.04965	6.7
95.08611	2.7
97.06516	2.4
98.21393	1.3
99.04434	1.2
103.05442	5.0
105.07028	9.7
106.04173	12.3
107.04932	2.6
107.08592	26.2
109.06522	13.8
109.10153	9.7
111.04404	1.2
115.05454	3.4
117.07030	4.4
119.04952	1.2
119.08573	2.2
121.06509	14.2
121.10144	18.0
122.07333	7.9
123.04399	1.3
123.08092	2.5
123.11714	1.0
125.05994	3.5
125.09619	1.0
131.04906	2.8
131.08580	3.4
133.10133	100.0
134.03650	1.7
135.08058	22.7
135.11633	1.2
137.05995	1.9
137.09616	78.3
138.06700	1.0
145.02843	1.4
145.10117	2.0
147.11685	2.0
148.05173	1.4
149.05980	15.1
149.09633	2.5
149.13257	18.7
151.11165	2.2
153.09093	3.1
158.10989	1.3
161.46371	1.0
163.07512	1.3
163.14865	2.4
166.06264	1.2
173.13260	6.1
177.05493	11.7
181.08647	3.1
191.14246	5.6
209.08066	4.7
209.15352	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	209.1535
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
50.41183	1.1
53.03939	4.5
55.01871	18.0
55.05503	12.4
57.03428	3.0
57.07066	8.2
59.04996	2.6
61.02882	1.2
62.10776	1.0
65.03940	5.7
67.05497	13.6
69.03075	1.7
69.03426	22.7
69.07063	15.1
70.93061	2.2
70.93465	2.2
71.04986	8.9
75.04465	5.1
77.03907	1.4
78.04705	4.2
79.05485	16.5
79.88679	1.1
81.07056	20.5
82.07382	1.2
83.04979	25.1
83.08617	5.9
85.02904	6.9
85.06549	9.5
89.03907	3.9
89.06030	1.5
91.05473	33.4
93.03401	10.5
93.07039	28.5
95.04961	22.7
95.08601	16.9
97.06522	10.1
97.10143	2.5
99.04436	11.1
99.08081	4.4
101.06001	1.9
103.05460	13.7
105.03383	1.3
105.04511	1.3
105.07020	12.5
106.02210	1.1
106.04166	36.8
107.04979	6.5
107.08594	39.5
109.06518	23.8
109.10146	9.6
110.07200	1.8
111.04424	3.1
111.08069	10.1
111.11757	1.3
117.03357	4.5
117.07003	2.7
119.04893	3.3
119.08575	8.4
120.05749	1.7
121.06504	41.6
121.08361	1.3
121.09320	2.2
121.10143	28.3
123.04444	2.7
123.08055	10.4
123.11698	9.0
124.05205	1.5
125.05992	11.6
125.09624	55.5
125.13271	1.3
126.10026	1.0
129.06960	1.4
131.04898	4.0
131.08565	17.1
133.10121	18.2
134.03590	6.2
135.04414	3.0
135.08051	23.4
135.11682	9.5
137.05975	6.2
137.09578	2.1
137.13271	1.4
138.06706	4.1
139.07507	3.7
139.11172	1.5
145.02876	6.2
145.10115	11.5
146.03618	1.2
147.04395	2.6
147.11679	7.7
148.05232	6.7
149.02350	1.8
149.04788	2.5
149.05977	45.8
149.09618	25.3
149.13255	13.0
150.10329	3.1
151.03931	2.9
151.07526	5.5
151.11186	14.6
153.05479	4.4
153.07069	1.9
153.09111	28.3
158.10860	4.1
161.09578	2.2
163.03905	4.1
163.07535	5.5
163.11188	8.4
163.14828	8.2
165.05452	1.8
165.09067	2.4
165.12756	8.8
166.06271	4.2
166.07729	1.6
167.07011	2.4
167.10678	21.8
167.14366	8.2
173.13243	22.9
173.67358	1.1
176.04666	2.2
176.11960	2.4
177.05478	30.9
181.06438	1.5
181.07137	1.2
181.08575	10.2
191.07051	9.3
191.08540	1.7
191.10687	7.8
191.14294	92.3
194.00401	1.6
194.02065	1.6
194.05721	3.7
194.07346	1.7
209.02620	2.5
209.04376	5.9
209.08046	30.7
209.09740	6.0
209.11758	7.3
209.15356	100.0
210.15649	1.7
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
55.01862	4.7
55.05265	1.9
55.05508	25.6
57.03429	1.8
57.07061	5.4
59.04995	4.7
67.05501	13.1
69.03420	6.6
69.07055	8.0
71.04969	6.2
79.05493	6.0
81.07052	19.1
83.04980	49.8
83.08626	11.0
85.06535	5.6
91.05468	7.8
93.03388	1.9
93.07047	19.9
95.04970	27.6
95.08606	18.0
97.06533	13.8
97.10166	5.0
99.04474	2.8
99.08065	3.4
105.07027	10.3
106.04178	4.5
107.04947	3.3
107.08596	27.1
109.06515	100.0
109.10149	31.6
111.08035	11.2
113.05966	2.2
113.09601	2.3
118.78877	1.7
119.08588	4.6
120.76579	2.1
121.06512	5.7
121.10126	20.4
123.08053	11.9
123.11704	6.1
125.05927	1.9
125.09623	21.0
127.07535	2.3
131.08578	9.8
133.10143	24.1
135.08052	25.3
135.11679	8.9
137.09624	3.7
139.07495	3.3
145.10081	5.0
147.11722	3.8
149.05945	9.5
149.09607	23.8
149.13219	15.6
151.11183	21.0
153.09109	21.3
158.10883	3.0
163.14769	9.1
165.12646	2.3
167.07037	5.8
167.10764	2.4
167.14314	18.0
173.13255	18.3
177.05461	5.4
191.14313	35.2
209.04445	5.7
209.07980	2.5
209.13461	3.0
209.15375	48.4
217.44603	1.8
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	Unknow
Peak:m/z	Relative Intensity
51.37992	1.0
53.03937	3.7
55.01870	11.1
55.05511	15.5
57.03427	3.0
57.07063	2.5
59.04974	2.3
63.92862	1.1
65.03925	5.9
67.05503	7.2
69.03423	5.3
69.07069	9.6
69.58223	8.3
71.04974	5.2
73.43899	1.1
75.04473	3.6
77.03939	1.2
78.04699	4.6
79.05497	9.6
81.07057	12.0
83.01342	31.5
83.04985	14.2
83.08627	9.0
85.02896	3.6
85.06542	6.0
89.03913	2.7
91.04963	1.8
91.05481	24.4
93.03402	11.6
93.07044	20.7
95.04967	14.5
95.08614	10.0
97.06522	23.5
97.10167	2.8
99.04430	5.5
99.08093	31.6
101.06010	6.5
103.05447	7.6
105.03393	1.6
105.07035	8.9
106.04174	26.8
107.04958	5.9
107.08597	28.7
109.06490	10.8
109.10146	10.3
111.04447	3.0
111.08092	14.2
115.05379	1.2
117.03324	2.4
117.07000	1.7
119.04992	1.4
119.08562	3.8
120.05716	1.5
121.06512	35.4
121.10149	17.8
123.04440	2.3
123.08079	6.6
123.11712	3.4
125.05997	10.3
125.09631	20.7
126.06748	1.6
127.07565	2.0
131.04857	2.1
131.08583	11.4
133.10130	19.5
134.03644	7.1
135.04393	2.6
135.08061	10.9
135.11723	6.0
137.05968	3.8
137.09578	6.8
138.06732	2.2
139.07530	24.8
139.11165	13.8
140.35182	1.0
145.02820	2.1
145.10095	4.2
147.04372	1.4
147.11778	2.5
148.05171	6.4
149.05983	43.6
149.09622	24.4
149.13243	9.7
151.11179	13.4
153.05431	3.2
153.09100	20.3
154.09872	2.5
155.10658	2.9
163.03828	1.1
163.07605	2.0
163.11198	2.3
163.14836	8.9
165.12764	3.1
166.06238	1.9
166.07642	1.2
167.07056	7.1
167.10654	2.2
167.14380	1.9
173.13254	10.9
177.05455	21.2
177.09076	1.3
180.07770	2.0
181.08620	11.1
181.15878	12.2
191.07043	3.5
191.10770	2.3
191.14307	25.7
194.05696	3.6
209.04491	2.7
209.08081	24.9
209.11835	4.7
209.15369	100.0
210.15729	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1535
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
51.37992	1.0
53.03937	3.7
55.01870	11.1
55.05511	15.5
57.03427	3.0
57.07063	2.5
59.04974	2.3
63.92862	1.1
65.03925	5.9
67.05503	7.2
69.03423	5.3
69.07069	9.6
69.58223	8.3
71.04974	5.2
73.43899	1.1
75.04473	3.6
77.03939	1.2
78.04699	4.6
79.05497	9.6
81.07057	12.0
83.01342	31.5
83.04985	14.2
83.08627	9.0
85.02896	3.6
85.06542	6.0
89.03913	2.7
91.04963	1.8
91.05481	24.4
93.03402	11.6
93.07044	20.7
95.04967	14.5
95.08614	10.0
97.06522	23.5
97.10167	2.8
99.04430	5.5
99.08093	31.6
101.06010	6.5
103.05447	7.6
105.03393	1.6
105.07035	8.9
106.04174	26.8
107.04958	5.9
107.08597	28.7
109.06490	10.8
109.10146	10.3
111.04447	3.0
111.08092	14.2
115.05379	1.2
117.03324	2.4
117.07000	1.7
119.04992	1.4
119.08562	3.8
120.05716	1.5
121.06512	35.4
121.10149	17.8
123.04440	2.3
123.08079	6.6
123.11712	3.4
125.05997	10.3
125.09631	20.7
126.06748	1.6
127.07565	2.0
131.04857	2.1
131.08583	11.4
133.10130	19.5
134.03644	7.1
135.04393	2.6
135.08061	10.9
135.11723	6.0
137.05968	3.8
137.09578	6.8
138.06732	2.2
139.07530	24.8
139.11165	13.8
140.35182	1.0
145.02820	2.1
145.10095	4.2
147.04372	1.4
147.11778	2.5
148.05171	6.4
149.05983	43.6
149.09622	24.4
149.13243	9.7
151.11179	13.4
153.05431	3.2
153.09100	20.3
154.09872	2.5
155.10658	2.9
163.03828	1.1
163.07605	2.0
163.11198	2.3
163.14836	8.9
165.12764	3.1
166.06238	1.9
166.07642	1.2
167.07056	7.1
167.10654	2.2
167.14380	1.9
173.13254	10.9
177.05455	21.2
177.09076	1.3
180.07770	2.0
181.08620	11.1
181.15878	12.2
191.07043	3.5
191.10770	2.3
191.14307	25.7
194.05696	3.6
209.04491	2.7
209.08081	24.9
209.11835	4.7
209.15369	100.0
210.15729	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1171
Annotation	(+)-4,5-Didehydrojasmonic acid
Peak:m/z	Relative Intensity
53.03926	4.7
55.01664	1.4
55.01870	16.6
55.05511	8.4
57.03431	3.8
57.07051	2.6
58.34750	1.5
61.02891	2.3
65.03929	5.6
67.05505	8.3
69.03421	5.1
69.07064	16.7
71.04645	1.9
71.05014	21.7
71.05393	2.8
75.04465	2.7
77.03915	1.7
78.04704	2.7
79.05059	2.7
79.05489	39.4
81.07059	11.2
83.04977	15.4
85.02901	4.5
85.06565	2.2
87.43718	1.8
89.03929	1.5
91.05476	35.6
93.03381	6.6
93.06470	3.4
93.07037	48.3
95.04965	15.6
95.08607	4.2
97.06536	8.9
99.04441	1.9
103.05470	9.9
105.07018	29.7
106.04171	22.6
107.04955	20.6
107.08586	60.9
109.06517	12.2
109.10125	1.8
111.04444	1.9
111.08051	3.7
113.06021	1.5
117.06991	6.1
119.08564	11.7
121.06497	62.5
121.10139	36.8
123.04392	2.4
123.08054	6.0
125.05977	11.1
125.09602	2.7
129.07010	3.3
130.07799	4.5
131.04892	3.2
131.08560	100.0
132.08894	2.0
133.06470	2.6
133.10143	4.7
134.03598	4.8
135.04387	5.1
135.08061	5.2
135.11682	6.5
137.05956	3.3
137.09573	2.2
138.06676	2.0
139.07533	3.5
141.05446	1.8
143.08542	1.7
145.02811	2.6
145.10117	39.8
147.04353	1.7
147.08029	6.4
147.11751	3.1
148.05199	2.7
149.05980	36.1
149.09612	86.5
149.13161	1.9
151.07513	3.7
151.11166	5.9
153.05464	17.6
153.09085	7.1
159.04349	1.5
163.03850	1.7
163.07558	3.0
163.11165	30.9
165.09081	3.4
166.00883	3.5
167.07027	5.3
167.10640	3.7
167.14328	3.4
173.09589	5.4
177.05452	22.2
181.08582	5.9
191.06993	5.2
191.10655	38.0
191.14301	6.6
194.00317	13.0
209.02650	13.0
209.04446	4.0
209.08153	16.3
209.09720	3.6
209.11720	74.9
209.15273	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	209.0809
Annotation	Hofmeisterin
Peak:m/z	Relative Intensity
52.75194	1.3
53.03945	5.0
55.01871	10.1
55.05506	2.7
65.03940	10.1
66.92011	1.3
67.05489	4.4
69.53558	11.4
70.68148	1.0
71.04984	1.9
75.04477	11.4
78.04710	9.5
79.05499	7.8
81.03428	2.0
81.07066	2.7
81.47828	1.2
83.04982	2.2
85.02902	6.7
87.42075	1.2
89.03912	6.2
89.06019	2.4
91.05481	38.7
93.03407	24.9
93.07046	17.4
95.04972	28.9
95.08611	5.8
97.06524	11.6
99.04444	3.8
103.05468	18.6
105.03407	2.9
105.04506	3.4
105.07016	4.6
106.04177	80.2
107.04942	4.8
107.08601	9.1
108.05679	1.6
109.06518	8.5
109.10162	4.3
110.07335	1.2
111.04424	2.2
111.08086	2.3
117.03358	3.3
119.04939	3.1
121.06511	70.6
121.10128	4.2
122.07327	2.3
123.04427	3.0
123.08092	4.1
124.05241	4.1
125.06008	18.8
131.04942	3.6
133.02907	2.0
133.06468	1.3
133.10118	8.8
134.03648	12.3
135.04413	3.1
135.08055	2.9
135.11630	1.8
137.05980	12.5
138.06735	3.2
139.07559	5.6
145.02861	2.7
147.11667	1.7
148.05202	7.2
149.05983	100.0
149.09605	4.9
149.13268	2.9
151.07524	5.5
151.10071	1.9
151.11186	11.2
152.08258	2.3
153.05473	3.1
153.09106	20.2
155.20120	1.3
163.07571	4.3
163.14880	1.5
165.05502	1.2
166.06308	3.1
167.06969	1.9
173.13324	4.9
177.05476	35.4
180.07886	1.9
181.08591	22.9
191.07043	4.5
191.14279	10.4
205.22778	1.5
209.08060	15.4
209.15387	9.7
222.72549	1.2
225.08318	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0808
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36628	0.9
51.02376	1.2
53.03951	6.2
53.60032	1.0
55.01874	13.7
55.05500	1.3
57.03425	1.7
61.02941	1.0
65.03947	11.6
67.05505	5.4
69.83157	4.0
69.83555	2.1
71.04975	2.1
75.04477	10.8
75.45599	1.1
77.03931	1.3
78.04711	8.8
79.05489	7.5
81.03410	1.5
81.07043	2.7
83.04972	4.0
85.02905	9.2
89.03904	4.8
89.06034	2.1
91.05480	43.4
93.03404	28.1
93.07046	17.5
94.04102	0.9
95.04966	19.1
95.08581	3.2
97.06535	9.7
98.20808	2.0
103.05468	20.8
105.03401	2.3
105.04523	2.2
105.07010	1.9
106.04173	73.6
107.04967	5.6
107.08630	5.2
108.05704	1.2
109.06512	5.7
109.10150	2.6
111.04447	2.5
111.08099	2.2
114.17525	0.9
117.03363	5.4
118.04155	2.5
119.04908	3.8
120.05699	1.5
121.06503	79.6
121.10146	1.9
122.07323	1.3
123.04432	3.4
123.08055	3.3
124.05190	3.7
125.05986	17.9
125.09629	2.0
131.04956	6.6
133.06503	1.7
133.10136	2.0
134.03632	12.2
135.04393	3.8
135.08018	2.2
137.05977	13.1
138.06763	3.6
139.07539	5.8
145.02837	6.4
147.04402	3.1
147.11819	1.0
148.05215	8.1
149.05983	100.0
149.09576	2.2
149.13281	1.6
151.03857	1.5
151.07547	3.5
151.11186	9.3
153.05453	4.4
153.09106	27.5
159.04402	1.5
163.03946	1.2
163.07571	7.4
165.05423	2.1
166.06279	3.5
167.07056	1.9
167.14429	1.7
173.13210	1.4
176.04735	1.3
177.05473	45.6
180.07790	1.5
181.08600	24.7
191.07027	8.1
191.14278	8.1
194.05698	1.3
203.20322	1.0
209.08099	26.8
209.09735	0.9
209.15356	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	209.1172
Annotation	(+)-4,5-Didehydrojasmonic acid
Peak:m/z	Relative Intensity
50.56749	0.9
51.03104	0.8
53.03931	2.1
55.01868	13.4
55.05267	1.9
55.05509	22.3
57.03433	5.2
57.07076	5.0
59.04985	3.6
60.04518	12.3
61.04850	2.1
62.16824	1.0
65.03917	1.9
67.05499	13.8
69.03427	8.6
69.06725	1.7
69.07066	22.6
70.15331	2.7
70.15746	2.2
70.69559	0.9
71.04990	26.5
71.82377	0.9
73.60757	0.9
75.04479	2.0
78.04684	2.2
79.05489	44.2
80.05820	2.7
80.64473	1.1
81.03399	1.4
81.07050	20.6
83.01338	1.4
83.04979	28.3
83.08619	10.0
85.02896	8.0
85.06528	3.5
87.31351	0.9
89.03896	1.8
91.05473	31.6
91.21293	0.9
93.03397	4.5
93.07040	51.3
94.06589	1.0
95.04964	23.3
95.08601	8.2
97.06532	14.0
97.10137	4.8
99.04440	3.8
99.08093	10.0
101.06010	8.2
103.05466	6.6
105.03412	0.9
105.07027	27.3
106.04166	9.8
106.06548	3.1
107.04953	23.9
107.06182	1.2
107.06933	6.6
107.08590	73.7
108.05283	12.8
109.06512	26.0
109.10146	16.5
110.56579	1.0
111.04428	4.4
111.08068	7.0
113.05955	1.4
113.09624	1.2
116.06202	1.4
117.07017	8.5
119.04935	1.7
119.08571	12.4
121.06499	42.1
121.10134	61.4
123.04386	2.3
123.08042	9.7
123.11726	6.4
125.05987	12.1
125.09632	23.3
129.06982	3.4
130.07762	2.8
131.04926	5.5
131.08562	100.0
132.05260	7.7
132.08913	2.3
133.06502	1.9
133.10138	12.9
134.03598	2.3
135.04427	4.6
135.08061	9.6
135.11678	11.7
136.05145	1.5
137.05956	3.9
137.09618	5.6
137.13223	1.2
139.07542	5.8
139.11128	3.5
141.05406	3.0
143.08525	1.2
145.02821	2.9
145.10120	34.3
145.67867	1.0
147.04390	1.8
147.08031	3.0
147.11655	5.9
148.05219	2.3
149.04868	0.9
149.05986	23.1
149.07788	4.6
149.09612	80.3
149.13254	7.7
150.06326	1.4
151.03856	1.3
151.07520	3.8
151.09987	1.0
151.11174	18.8
153.01819	3.3
153.05472	12.4
153.09088	17.8
158.10835	1.3
159.04282	1.1
163.03891	3.6
163.07521	2.3
163.11192	23.8
163.14807	12.6
165.05476	1.2
165.09109	3.9
165.12717	2.4
166.06255	2.0
167.07057	6.4
167.10687	6.3
167.14323	12.0
173.09604	3.8
173.13243	10.0
177.05466	14.9
178.06230	4.5
179.03410	2.0
181.04958	2.3
181.08556	5.1
181.15923	2.1
191.07062	4.0
191.09058	1.8
191.10664	34.2
191.14305	22.6
194.00322	4.2
194.02010	1.3
194.05722	3.9
209.02600	3.7
209.04462	9.0
209.06198	2.0
209.08167	14.7
209.11728	74.4
209.15335	54.4
213.08551	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0808
Annotation	Methyl ferulate
Peak:m/z	Relative Intensity
51.02363	1.2
53.03939	4.1
55.01870	8.6
59.73835	1.0
65.03944	10.0
67.05488	3.1
71.05011	1.7
71.05438	1.7
73.54074	0.9
75.04478	10.8
77.03922	1.2
78.04702	9.3
79.05489	7.8
81.03404	1.8
81.07051	3.2
85.02917	8.6
89.03900	4.8
89.06039	2.0
91.05479	38.0
91.89465	1.1
93.03405	29.1
93.07049	15.5
95.04965	18.1
95.08606	1.4
97.06535	9.2
103.05461	13.5
105.03387	2.0
105.07018	3.6
106.04176	70.8
107.04951	4.1
107.08598	2.9
108.05753	1.3
109.06519	4.1
109.10146	1.5
111.04455	2.3
117.03371	3.0
118.04185	1.4
119.04932	3.7
119.05926	0.9
120.05721	1.4
121.06506	67.0
121.10119	3.0
123.04457	3.2
123.08083	2.7
124.05172	1.6
125.05988	18.6
128.78223	1.0
131.04874	2.2
133.02907	1.4
133.06430	1.0
133.10149	2.2
134.03633	11.1
135.04416	3.1
135.08051	1.6
137.05972	10.8
138.06754	4.1
139.07550	4.2
145.02837	3.3
147.04436	1.2
148.05205	7.5
149.05980	100.0
149.09602	14.4
151.07518	4.6
151.11183	3.8
152.08366	1.9
153.05486	5.3
153.09105	19.1
159.04311	0.9
163.07565	4.5
165.05377	1.0
166.06299	3.2
173.13257	1.4
177.05470	35.5
181.08588	20.8
191.07019	4.8
191.14296	1.5
209.08060	17.7
209.15399	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	209.0806
Annotation	Hofmeisterin
Peak:m/z	Relative Intensity
50.07798	1.3
53.03946	6.6
55.01867	6.8
55.05508	2.5
65.03940	10.7
67.05494	4.2
69.29838	15.0
75.04482	8.8
78.04696	10.2
79.05493	8.8
81.03412	2.8
81.07043	2.9
82.04179	1.5
83.04979	3.0
85.02894	9.5
89.03898	6.1
89.06043	2.3
89.23016	1.2
91.05478	43.4
93.03398	24.0
93.07033	16.9
95.04962	19.0
95.08607	3.0
97.06542	8.4
103.05463	17.2
105.03393	2.5
105.04498	2.1
105.07003	2.9
106.04166	86.5
107.04952	5.0
107.08601	4.1
109.06503	3.2
109.10165	2.0
111.04404	1.8
117.03391	3.8
119.04951	3.4
121.06499	78.0
121.10134	2.6
122.03705	1.7
122.07285	3.0
123.04417	4.0
123.08056	2.8
124.05199	3.9
125.05992	23.4
128.71001	1.3
131.04898	5.8
133.06476	1.4
133.10081	1.9
134.03618	14.0
135.04428	3.9
137.05972	13.5
138.06734	4.3
139.07527	6.6
145.02901	3.7
147.04393	2.4
148.05183	6.3
149.05972	100.0
149.09618	17.2
149.13254	3.8
151.03941	1.4
151.07535	3.9
151.11180	3.9
152.04698	1.8
152.08414	1.9
153.05453	4.6
153.09093	21.1
163.07507	3.9
165.05421	2.2
166.06245	2.9
167.07065	2.1
173.13211	2.1
177.05461	33.3
181.08588	20.8
191.07086	3.4
191.14345	1.5
209.08080	18.8
209.15359	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	209.0808
Annotation	Methyl ferulate
Peak:m/z	Relative Intensity
55.01866	3.7
55.05490	1.5
57.07065	0.6
65.03955	0.5
67.05485	1.0
69.03431	0.6
69.07045	0.5
69.38118	3.6
79.05467	1.6
81.07030	1.3
83.04982	1.8
83.07123	0.3
83.08632	0.9
84.51131	0.3
89.03922	3.6
91.05476	7.1
92.71136	0.4
93.07039	3.2
95.04967	2.3
95.08586	1.3
97.06518	0.6
98.21445	0.6
102.04673	0.6
102.07954	0.3
103.05463	10.0
105.07011	1.3
106.04173	1.1
107.04951	4.8
107.08564	1.6
109.06496	1.5
109.10121	0.7
111.08092	0.7
112.80181	0.4
117.03381	4.3
117.07034	0.3
119.04939	3.7
119.08553	0.5
121.06496	12.2
121.10117	1.1
125.09647	0.9
131.04926	19.7
133.10083	0.8
134.03624	5.0
135.04411	3.0
135.07997	0.9
135.11687	0.7
145.02840	4.7
145.10078	0.5
147.04413	3.2
147.34491	0.4
148.05176	1.7
149.05978	20.5
149.09610	1.0
149.13220	0.7
151.11185	1.0
153.05495	0.7
153.09096	0.8
159.04411	13.1
162.03136	0.8
163.03893	2.3
163.07642	0.4
163.11229	0.6
167.14285	1.9
173.13240	0.9
177.05460	100.0
178.05869	1.6
181.06383	0.4
191.07002	1.5
191.14294	0.8
209.04298	0.8
209.06116	0.8
209.08023	8.6
209.09633	0.8
209.11409	0.6
209.15369	4.1
209.18965	1.0
225.66985	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0807
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	7.1
55.01871	6.9
57.03422	1.4
65.03947	12.6
67.05492	5.0
68.15187	1.4
69.92321	6.2
75.04477	9.1
77.03949	1.4
78.04708	12.6
78.16830	1.3
79.05499	7.0
81.03383	1.8
81.07056	2.0
83.05006	1.7
85.02898	8.9
89.03904	3.9
89.05996	2.5
91.05477	44.5
93.03406	27.8
93.07039	19.0
95.04965	19.6
95.08605	2.8
97.05984	1.5
97.06515	8.6
103.05466	16.7
105.03333	2.3
105.07026	2.8
106.04171	84.1
107.04941	6.1
107.08582	4.0
109.06511	4.7
110.07256	1.5
111.04422	3.0
117.03384	4.2
119.04935	3.8
120.82278	1.3
121.06502	84.3
121.10142	2.3
122.07265	2.2
123.04459	3.8
123.08031	2.4
124.05220	1.9
125.05984	21.0
131.04918	5.5
133.10078	2.2
134.03633	11.6
135.04425	4.5
135.08043	2.1
136.05115	1.2
137.05968	15.1
137.30862	1.4
138.06735	4.8
139.07526	6.0
145.02872	3.3
148.05173	7.7
149.05981	100.0
149.09604	31.6
151.03868	2.4
151.07547	3.4
151.11174	3.4
152.08298	1.8
153.05463	5.1
153.09105	18.7
162.03188	1.5
163.07520	5.1
165.05501	1.8
166.06276	3.6
166.19731	1.3
167.07022	2.3
173.13354	1.7
177.05460	39.3
181.08589	20.7
191.07025	3.5
191.14316	3.7
209.08084	18.6
209.15289	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0808
Annotation	Methyl ferulate
Peak:m/z	Relative Intensity
51.02382	1.0
53.03935	5.6
54.62591	0.8
55.01868	13.5
55.05501	1.6
56.96561	0.9
57.03429	1.3
65.03948	7.3
67.05486	3.6
69.63485	1.3
69.63892	5.7
71.04984	1.8
73.42091	1.0
75.04478	7.9
75.91449	1.0
78.04707	8.9
79.05484	5.3
81.03431	1.4
81.07033	2.5
83.04971	1.8
85.02901	9.3
89.03938	5.5
89.06007	1.6
91.05481	36.4
92.06274	1.0
93.02807	1.4
93.03402	25.7
93.07044	18.2
95.04967	20.1
95.08592	2.0
96.05729	1.0
97.06535	9.1
97.83968	0.9
103.05457	17.8
105.03392	1.5
105.04530	1.3
105.07024	3.8
106.04172	75.9
107.04957	4.8
107.08598	1.3
108.05725	1.8
109.06506	4.7
109.10178	1.8
110.03680	1.3
111.04431	1.8
117.03387	4.5
118.04149	1.5
119.04946	5.1
119.05656	0.9
120.05679	2.1
121.06504	74.0
121.10040	1.0
122.03658	1.7
122.07312	2.1
123.04388	2.7
123.08051	2.3
123.30856	0.9
124.05180	2.0
125.05997	16.5
125.09599	1.5
131.04913	5.6
131.05806	0.9
133.02849	1.4
134.03618	12.4
135.04407	2.9
135.08073	1.7
137.05977	12.5
138.03197	0.9
138.06734	3.2
139.07545	6.0
145.02826	5.9
147.04433	1.4
148.05206	7.3
149.05980	100.0
150.06451	1.3
151.03899	2.4
151.07558	4.1
151.11186	1.2
152.08360	1.1
153.05469	6.1
153.09096	18.6
159.04442	1.6
159.31787	1.0
162.03168	1.4
163.03883	1.5
163.07532	4.5
165.05482	2.1
165.12796	1.7
166.06245	3.6
167.06972	1.5
167.14352	1.2
176.04716	1.1
177.05467	41.3
181.08597	19.9
191.07056	5.4
191.14310	2.2
209.08008	17.3
209.15305	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	209.0809
Annotation	Methyl ferulate
Peak:m/z	Relative Intensity
50.18918	1.5
53.03941	7.2
55.01876	17.2
55.05515	2.8
56.96563	1.3
57.03425	3.8
57.33893	1.4
59.04985	1.3
65.03939	8.9
67.05491	4.6
69.03412	1.6
69.07414	1.1
75.04486	10.5
77.03916	2.7
77.58418	1.5
78.04707	10.6
79.05494	8.7
81.03422	2.0
81.07041	5.0
83.04981	2.3
83.08605	1.4
85.02909	8.1
89.03911	4.9
89.06024	1.9
91.05482	48.8
93.03410	23.5
93.07046	13.7
95.04968	22.3
95.08623	2.9
97.06544	8.6
98.20742	3.3
103.05463	20.8
105.03426	1.9
105.04513	2.6
105.07054	1.7
106.04176	80.2
107.04975	7.1
107.08567	5.1
109.06523	7.1
109.10162	3.1
111.04458	4.2
111.08056	3.5
117.03375	4.5
119.04951	4.8
120.05726	1.4
121.06503	78.5
121.10179	2.4
122.07240	2.2
123.04430	3.8
123.08025	3.0
124.05190	2.1
125.05984	18.2
125.09597	2.4
131.04932	8.8
131.08646	1.4
133.02855	2.5
134.03613	12.8
135.04416	3.2
135.08072	2.8
137.05978	10.4
138.06779	2.6
139.07494	5.6
145.02841	6.0
147.04420	2.5
148.05237	6.1
149.05981	100.0
149.09576	2.1
151.03911	2.6
151.07510	2.6
151.11189	1.8
152.08185	2.0
153.05461	4.6
153.09106	30.1
159.04393	2.6
163.03976	1.6
163.07521	6.2
165.05464	2.1
166.06244	4.4
167.07059	1.4
173.13232	2.4
176.04643	1.6
177.05476	45.2
181.08623	23.7
191.07037	9.4
191.14273	4.4
209.08099	25.9
209.15323	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	207.1379
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03938	1.3
53.27434	1.2
55.01860	1.7
55.05502	4.2
57.07054	1.5
58.00222	1.3
59.05011	1.9
61.02913	3.4
67.05493	7.7
69.03410	2.3
69.07065	4.0
71.04989	8.1
71.36270	2.9
79.05495	8.5
81.03413	8.2
81.07059	14.9
82.30123	1.1
83.04962	4.2
85.02874	1.3
85.36235	1.2
91.05476	25.5
93.07035	18.8
95.04960	6.7
95.08614	15.1
97.06519	2.0
99.04437	3.6
99.08099	6.6
103.05460	2.8
105.07029	36.0
107.04952	2.9
107.08592	12.7
109.06533	7.7
109.10139	4.6
111.08060	2.6
113.09664	2.0
117.07002	4.8
119.04942	10.3
119.08578	100.0
120.08092	1.5
120.08879	1.8
121.06469	3.8
121.10138	30.9
123.04478	2.3
123.08086	9.0
123.11705	2.2
127.07561	2.1
128.06253	1.8
129.06981	3.8
130.07788	1.8
131.08566	25.1
133.06487	6.2
133.10107	9.5
135.08005	2.0
136.05223	2.6
137.05893	1.6
137.09587	5.1
141.06955	2.7
143.08572	5.4
145.10118	32.0
146.03595	3.2
147.04395	10.8
147.08034	7.2
147.11685	23.9
149.02335	5.6
149.09616	35.3
151.07553	17.5
156.09329	18.0
159.11665	6.5
161.05981	12.5
161.09644	6.0
161.13263	32.2
163.03926	1.5
163.07648	1.3
163.11165	2.7
164.04672	6.0
165.09138	2.4
165.12775	9.3
171.11705	27.1
174.03117	1.8
175.03894	4.4
177.12752	4.0
179.07045	6.8
179.14305	2.9
189.05363	1.4
189.09140	5.8
189.12744	40.4
192.04094	2.6
207.06549	26.8
207.10165	2.6
207.13805	41.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	208.0968
Annotation	N-Acetyl-D-phenylalanine
Peak:m/z	Relative Intensity
51.27032	0.9
60.04525	67.1
69.45649	8.4
79.05492	23.8
91.05486	2.0
92.05812	0.9
93.07020	1.3
95.04982	1.4
95.08613	1.3
103.05469	7.4
105.07039	2.6
106.04185	1.5
106.06555	48.7
107.04954	100.0
107.08576	1.1
109.06483	1.1
115.40748	0.8
120.08112	3.0
121.06512	2.3
121.10079	1.0
131.04927	45.4
132.08969	1.0
148.07570	30.6
149.05983	9.9
161.05948	2.1
162.06337	8.6
162.09973	2.0
166.08682	2.9
190.08427	5.4
208.09660	1.3
208.13754	2.6
222.09117	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	208.0968
Annotation	N-Acetyl-D-phenylalanine
Peak:m/z	Relative Intensity
51.02390	0.5
51.78702	0.4
55.01867	0.8
55.05502	0.9
60.04524	64.1
65.01291	0.4
65.03960	0.6
69.07059	0.6
69.41267	3.5
69.41675	1.5
71.04974	0.5
79.05491	22.4
81.07085	0.7
83.04985	0.9
91.05477	2.0
92.05801	0.8
92.95002	0.5
93.07039	1.5
95.04949	1.4
99.21309	0.5
103.05469	7.1
105.07034	2.7
106.06553	48.9
107.04951	100.0
107.08599	1.8
108.05230	0.9
108.08898	0.5
109.06528	0.8
109.20461	0.4
117.97604	0.6
119.04955	0.7
119.08614	0.5
120.05259	0.7
120.08131	0.8
120.08916	1.0
121.06518	1.6
121.10150	1.5
123.08036	0.9
125.06001	0.8
125.09640	1.0
128.11256	0.6
130.91661	0.5
131.04924	44.3
131.08568	1.8
135.11746	0.6
145.10136	0.5
148.07562	29.6
148.12053	0.7
149.05966	8.2
149.09642	2.3
150.09999	0.8
151.11064	0.6
153.08958	0.6
158.04579	0.6
162.13583	0.7
166.08578	1.0
176.04282	0.7
177.05431	1.0
190.08582	6.1
190.13126	0.9
191.10678	1.3
208.06921	0.8
208.09671	1.8
208.14005	2.1
209.08151	0.8
209.11636	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1379
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
50.40052	0.7
52.58678	0.7
53.03937	1.4
55.01868	2.6
55.05510	8.3
57.03428	1.1
57.07072	1.9
59.04977	1.0
65.03923	1.2
65.50751	0.9
67.05508	10.7
69.03436	6.3
69.07071	7.1
69.88203	4.2
71.04990	7.5
79.05502	5.9
81.07055	10.8
81.94035	0.9
83.04969	5.4
83.08630	3.9
85.02908	17.8
85.03418	1.1
85.06536	20.4
87.58974	0.7
91.05482	14.0
93.07048	12.6
95.04968	14.8
95.08602	12.8
97.02879	3.0
97.06532	21.9
99.04447	2.2
99.08085	1.0
103.05502	1.4
105.07024	18.5
105.07678	1.6
107.08592	20.8
109.06516	100.0
109.10152	6.9
111.04445	1.1
111.08079	70.3
113.06014	2.7
116.06226	0.9
117.07019	2.9
119.04965	4.1
119.08577	26.3
120.37003	0.8
121.06479	4.1
121.10143	19.3
122.07251	1.1
123.04420	1.6
123.08075	25.4
123.11697	13.8
125.05965	1.3
128.06216	2.3
129.06975	2.1
130.07813	1.1
131.04951	0.9
131.08569	5.8
133.06477	2.8
133.10138	16.8
135.08073	7.6
135.11670	2.3
136.05215	1.0
137.05942	1.9
137.09621	13.4
137.13239	5.1
141.06967	1.5
143.08543	3.6
145.06419	1.7
145.10141	5.7
146.07227	2.2
146.10829	0.9
147.04367	3.8
147.08052	7.4
147.11687	38.8
148.05141	1.2
148.12068	1.2
149.02345	2.5
149.09612	34.5
151.07538	13.6
151.11218	1.3
156.09346	12.8
159.08078	5.5
159.11714	1.1
160.08806	2.0
161.05975	11.9
161.09633	12.6
161.13249	15.4
163.07518	1.4
163.11137	5.0
164.04663	3.5
164.08359	5.5
164.11919	1.0
165.09100	17.4
165.12755	23.1
171.11696	19.0
174.10403	12.6
175.03876	2.4
177.09122	2.0
179.07013	3.2
179.08525	1.7
179.10759	3.6
179.14317	1.9
189.09105	5.8
189.12738	42.0
190.13020	1.6
192.04202	1.1
207.06432	7.6
207.08121	4.7
207.10080	3.2
207.13795	57.6
208.14267	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1378
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
51.09962	0.7
53.03955	0.9
55.05508	5.5
57.07074	4.6
59.04991	1.4
65.03945	0.9
67.05504	25.5
69.03424	2.5
69.07062	2.1
71.04975	1.9
71.32946	0.8
71.33265	1.1
79.05479	4.0
81.07055	5.0
83.04980	2.6
85.02892	3.0
85.06545	11.4
91.05467	5.8
93.07040	10.0
95.04422	0.7
95.04966	3.3
95.08604	100.0
96.08949	1.3
97.06553	1.4
105.07035	12.8
107.08589	17.2
109.06519	4.4
109.10159	2.8
110.99887	0.7
111.08058	1.2
113.05998	7.4
117.07015	1.2
119.08577	23.2
120.09373	1.6
121.06495	3.6
121.08541	0.7
121.10139	14.4
123.08064	51.8
123.11705	6.2
125.09598	1.0
127.09298	0.8
131.08554	5.8
133.06506	2.4
133.10117	4.7
135.08063	1.8
135.11702	5.3
137.09624	5.5
137.13240	1.5
139.07573	1.2
143.08514	1.9
145.10086	1.7
147.08020	5.3
147.11688	13.3
149.09615	54.7
150.09915	1.0
151.07532	2.4
151.14877	4.7
156.09361	3.0
159.08043	2.2
161.09654	1.9
161.13245	20.3
163.11238	2.4
165.09160	1.5
165.12747	11.0
167.04227	0.9
171.11667	4.5
174.10442	3.8
179.14270	2.1
185.11101	0.7
189.12735	22.0
207.13795	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	207.1379
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
51.40574	0.7
53.03923	0.9
53.42297	0.7
54.16784	0.7
55.01865	1.4
55.05494	3.2
59.04991	1.6
65.03915	1.1
67.05486	2.8
69.03407	3.5
69.07053	2.5
71.04988	6.8
71.25455	2.3
77.03928	1.1
79.05482	5.4
81.07032	4.6
83.04963	2.5
85.02886	1.5
85.06525	0.8
87.31380	0.7
91.05477	15.4
93.07041	15.9
94.07339	1.2
95.04967	4.4
95.08599	7.3
97.06519	1.2
98.97583	4.6
99.04431	2.2
103.05460	2.1
105.07029	18.4
107.04930	2.8
107.08588	14.7
109.06500	6.7
109.10134	6.1
112.91090	0.7
113.05950	1.0
115.05418	1.7
116.06227	1.2
116.98605	3.3
117.06996	2.0
118.04144	2.6
119.04916	6.0
119.07797	0.8
119.08569	17.2
121.06507	5.8
121.10141	18.5
123.08060	5.8
123.11691	4.1
128.06198	2.3
129.07001	6.1
130.07771	1.8
131.04951	4.8
131.08565	10.7
132.05728	0.9
133.02800	0.8
133.06500	3.8
133.10130	4.9
134.99635	0.8
135.08020	2.3
135.11678	3.2
137.05948	1.0
137.09622	10.1
137.13239	1.0
143.08553	2.8
144.05707	1.5
145.06461	1.7
145.10120	5.1
146.03531	2.2
146.07272	5.1
146.10922	1.2
147.04367	1.7
147.08028	4.7
147.11690	18.8
148.05186	4.7
149.09613	45.4
151.07523	2.7
156.09296	5.8
157.06497	1.7
158.99644	3.1
159.08012	2.5
159.11696	0.9
161.05975	100.0
161.09608	21.6
161.13269	13.2
161.70326	0.9
162.06325	1.2
163.07495	1.5
163.11118	1.7
164.04706	2.0
165.09059	2.4
165.12730	9.5
171.11673	8.9
174.06822	2.3
174.10422	1.2
175.03886	1.8
177.00681	2.8
177.06718	1.1
177.12672	1.0
179.07010	1.5
189.09103	29.4
189.12717	18.6
207.06502	2.7
207.10197	6.0
207.13783	32.1
207.15730	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.138
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03939	4.5
55.01869	2.5
55.05513	10.0
56.96554	3.6
57.03407	0.9
65.03937	1.9
67.05504	35.1
69.03430	1.9
69.07066	8.6
69.29438	7.2
69.29842	1.2
69.99349	0.7
71.04990	2.8
73.06555	1.8
77.03900	0.8
78.25399	0.8
79.05493	52.0
79.16723	0.7
81.03419	2.9
81.07058	25.7
83.04987	5.3
83.08618	3.2
85.02908	1.9
85.06520	3.6
91.05482	50.2
93.07043	100.0
95.04971	19.2
95.08602	19.6
97.06532	3.4
97.10155	1.8
103.05434	1.1
105.04498	1.2
105.07032	34.0
107.04953	3.0
107.08601	13.7
109.06506	7.2
109.10140	3.3
111.08070	1.5
113.05996	1.3
115.05402	1.0
115.96420	1.5
116.97205	0.9
117.07013	7.5
119.04931	5.6
119.08581	18.9
120.08128	1.3
121.02927	1.5
121.06496	3.3
121.10127	5.5
123.08048	10.6
123.11718	1.7
125.09659	3.8
127.07557	1.0
128.06226	1.6
129.06288	0.9
129.07022	9.0
131.08574	3.1
133.06575	1.8
133.10121	6.8
133.97461	1.1
134.09688	1.2
135.08026	1.4
135.11703	1.1
137.06006	1.3
137.09644	2.3
143.08549	5.8
145.10091	10.3
147.04414	9.2
147.08031	3.9
147.11687	52.4
148.04756	1.6
149.02324	1.6
149.09616	24.2
149.13248	0.9
151.07542	4.1
156.09355	1.8
159.11618	1.1
161.01245	1.4
161.05949	1.4
161.09647	5.3
161.13246	12.9
163.03888	0.7
164.04669	1.6
165.05496	1.0
165.09091	1.4
165.12796	2.8
171.11696	27.4
174.10440	1.1
175.03922	1.7
179.06982	1.4
179.08594	1.1
189.05589	1.3
189.12750	16.7
189.16315	0.9
190.13081	0.9
201.08051	1.2
207.02939	1.9
207.06502	8.3
207.08194	1.4
207.13803	45.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.0812
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96569	1.1
57.07053	0.6
58.45376	0.5
60.19672	0.4
67.05498	1.2
69.62233	2.0
69.62655	1.5
70.07419	0.6
77.27658	0.5
79.05483	1.2
81.03403	0.6
81.07045	1.7
82.07390	0.8
82.94758	0.5
83.22089	0.6
88.02223	0.5
91.05479	12.6
92.05798	0.7
93.07040	0.9
94.07365	0.6
95.04990	0.7
95.08614	0.7
96.08938	0.5
97.02837	0.5
98.03221	1.4
98.20770	0.5
105.07023	1.8
106.07358	2.0
107.04928	1.6
107.08595	0.9
108.08928	0.6
109.10146	0.6
110.03183	1.0
117.07026	1.8
118.07358	3.5
119.01952	1.0
119.04942	28.2
120.08930	1.1
122.10387	0.6
123.04428	0.9
123.11724	1.4
124.12040	2.3
131.08566	2.0
132.08914	5.3
134.10478	0.7
135.04410	4.6
135.11778	0.8
136.12018	1.7
137.06064	0.6
142.03491	1.8
146.06819	0.7
146.10471	1.2
147.04408	100.0
148.04767	0.9
149.02341	0.9
149.09607	0.6
150.02626	2.5
150.13629	0.7
159.11726	0.6
160.04555	0.6
160.12033	5.3
161.12790	1.1
163.03908	1.5
165.05478	18.4
178.13115	1.0
191.14297	2.0
206.04613	0.8
206.08086	2.5
206.12645	4.7
207.06503	0.8
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	Unknow
Peak:m/z	Relative Intensity
53.03942	3.0
54.15623	1.2
55.01875	14.0
55.05510	17.4
56.05035	30.0
56.50895	1.0
56.96564	52.7
57.03435	49.0
57.07050	2.9
58.01265	1.2
58.03759	1.8
58.06585	3.1
58.99847	2.0
59.04999	12.9
60.04253	2.1
60.04525	28.5
61.02641	2.0
61.02929	34.0
62.03254	1.4
63.42603	1.3
65.03934	5.9
67.01865	1.6
67.05499	12.6
68.02636	1.7
68.05035	2.3
68.99775	1.4
69.03429	46.2
69.03809	2.4
70.03753	3.0
70.06580	1.6
70.48414	1.6
70.48743	3.3
71.01345	5.1
71.04990	12.3
71.95251	1.9
72.04505	2.8
73.02917	33.7
73.06542	3.0
74.06075	6.2
74.97607	3.4
75.04485	5.8
77.00842	3.7
78.18700	1.2
79.05504	1.4
80.05020	1.3
81.03425	13.1
81.07033	1.3
82.03753	1.8
82.06590	10.6
83.00777	3.8
83.01330	1.9
83.04980	41.6
84.04507	11.4
84.96023	5.9
85.02906	48.1
85.03417	2.7
85.06494	1.6
86.03232	2.7
86.03691	8.4
87.00854	1.9
87.04468	11.2
88.02676	1.3
89.00772	3.6
90.01569	3.3
90.05553	1.8
91.05486	3.3
92.01293	5.8
93.03397	4.2
94.02664	1.8
95.00774	1.4
95.01333	3.0
95.04981	6.4
96.01546	4.3
96.08136	9.2
97.00491	1.5
97.01797	1.1
97.02323	4.2
97.02891	23.5
97.06522	2.5
98.01297	7.6
98.03215	3.4
98.06041	2.9
98.97584	37.8
99.02114	1.5
99.04432	7.8
100.03975	2.7
100.05233	3.4
100.07615	34.5
101.00848	4.7
101.02377	7.6
101.05367	2.5
101.06019	40.4
102.00928	1.5
102.01582	1.9
102.02300	1.2
102.05529	2.1
102.52491	2.7
102.97048	1.4
103.00533	1.9
103.02344	3.0
103.03889	2.4
104.01283	4.9
104.99172	1.4
105.02105	2.8
105.07030	1.4
106.02834	8.1
107.01802	4.3
107.04930	1.9
108.01510	1.8
108.02435	1.7
109.02882	11.9
110.01254	14.5
110.03212	2.5
110.06036	4.2
110.97580	4.3
111.02077	3.0
111.02893	3.1
111.04420	6.3
112.00992	1.4
112.02809	3.8
112.05092	1.9
112.99123	3.8
113.01700	2.3
113.02383	30.0
113.05996	2.1
114.02676	3.6
114.03706	8.2
114.05523	3.4
115.02370	2.7
115.03280	4.6
115.04010	5.9
116.01279	2.8
116.98616	34.4
117.02016	4.0
117.52930	1.4
118.01095	3.4
118.02857	1.9
118.03664	3.5
118.05036	1.3
119.01859	49.3
119.08611	1.3
119.51977	2.5
120.00794	1.6
120.02001	10.0
120.03368	1.3
121.01665	6.3
121.02880	4.9
121.52084	1.3
122.01279	2.3
122.03090	1.8
122.05978	2.1
124.07586	5.2
125.01772	3.0
125.03617	2.7
125.04517	1.6
125.06036	1.3
126.02541	3.4
127.01521	2.0
127.02417	1.5
127.03977	11.8
127.54309	3.7
128.02319	50.3
128.03250	2.1
128.04128	4.2
128.07071	3.2
128.52531	4.5
128.98615	10.8
129.01918	3.8
129.02882	1.7
129.03897	2.0
129.05495	7.4
130.01054	2.9
130.02855	1.5
130.03772	1.9
130.52573	4.3
131.00182	9.6
131.01901	11.5
131.03503	4.4
132.00685	1.7
132.02029	4.0
132.03505	2.7
132.04434	10.1
133.01639	6.6
133.03406	7.1
133.98900	2.0
134.02299	3.1
134.04196	1.9
134.99661	25.9
135.03099	4.7
136.00909	1.3
136.03746	3.0
136.04768	1.5
137.02855	26.5
137.52989	2.8
138.00703	1.8
138.02539	1.8
139.01520	1.8
139.02492	2.1
139.04153	2.2
139.53123	6.0
140.00195	2.4
140.02353	6.2
140.04137	2.8
141.03082	3.4
141.05415	1.5
142.03540	3.8
142.04977	5.5
142.08632	61.6
143.00177	4.9
143.01822	5.9
143.03535	1.3
144.02000	1.3
144.03488	2.1
144.53592	1.7
144.98091	1.2
145.01634	5.3
145.03398	7.0
146.02307	3.7
146.03461	2.5
146.08122	100.0
146.99643	23.9
147.01285	2.6
147.03087	4.9
147.05104	2.3
147.54036	1.4
148.03847	4.4
148.53667	2.3
149.01216	13.3
149.02264	2.4
149.02994	2.0
150.02736	4.8
151.04114	2.0
151.07561	1.4
152.02284	4.2
153.00661	3.5
153.03009	2.0
154.52997	1.3
155.02861	6.7
157.01509	7.0
157.03490	7.8
157.04549	1.6
158.01254	2.2
158.03676	2.9
158.99655	6.9
159.03159	3.3
159.05099	1.5
160.00435	1.2
160.02180	2.8
160.04272	23.5
160.06041	3.9
160.09695	6.6
160.97603	3.7
161.01247	12.6
161.02919	13.7
161.04437	2.2
162.01831	2.0
162.03198	3.9
162.99182	3.2
163.02779	7.2
163.04059	2.1
164.03233	2.4
164.04556	1.6
164.09169	1.5
165.00684	7.3
166.53627	1.5
167.02197	1.9
168.03647	1.4
169.02495	2.0
169.04443	3.8
170.01486	2.0
170.03398	2.1
170.08127	11.4
170.53632	1.4
170.99655	5.7
171.01245	1.9
171.05086	2.7
171.06393	1.5
172.04880	1.8
173.01239	5.2
173.02969	7.6
173.04333	1.2
174.01816	7.5
174.03514	5.4
175.02705	7.5
175.04286	6.0
176.01591	2.4
176.05069	5.5
177.00723	16.9
178.04979	38.0
179.02242	5.4
181.03738	1.4
181.05228	1.5
182.99620	3.5
183.02299	3.7
184.02974	2.2
184.04604	3.6
185.01228	2.5
185.02846	7.4
185.05721	4.4
186.03107	3.5
186.99167	2.1
187.02773	4.9
187.04536	4.5
188.01187	2.9
188.03409	5.9
188.05641	1.8
188.09190	42.4
189.00726	17.0
189.02344	2.1
189.04062	1.7
190.05927	1.9
191.02316	3.5
191.03972	2.6
191.14297	5.3
193.00188	2.9
193.03873	4.7
194.06244	11.8
195.01776	1.9
197.01974	1.5
199.04555	3.2
201.00735	17.5
201.02464	3.0
202.98618	3.9
203.02261	2.8
203.04028	4.9
204.04179	2.3
205.00183	3.2
205.03865	4.2
205.56964	2.0
206.02603	4.7
206.04475	34.6
206.10229	17.5
207.01772	3.1
207.05034	1.5
207.13893	1.7
208.52907	1.8
211.04831	3.0
215.03081	2.8
216.00490	1.9
217.05615	1.9
219.01701	12.9
219.03349	1.6
221.05077	3.3
223.01213	3.1
223.04794	3.0
228.92410	1.4
229.00095	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.195
Annotation	(+)-Theonellin
Peak:m/z	Relative Intensity
53.03933	0.4
55.05505	4.5
57.07075	3.2
60.27106	0.3
64.16788	0.3
67.05502	6.9
69.07068	4.9
70.89140	1.0
70.89484	0.3
71.08631	0.4
79.05492	5.0
80.05776	0.3
81.07053	24.2
83.08618	1.2
83.59866	0.3
84.18366	0.3
91.05467	1.9
93.07039	16.8
95.04984	0.5
95.08605	13.7
96.08918	0.4
97.02882	1.6
97.10159	2.8
105.07019	1.1
107.08591	17.8
109.02836	0.6
109.06514	0.4
109.10152	13.2
111.11761	0.4
115.66241	0.3
121.02871	0.4
121.10145	6.0
123.11700	100.0
124.12072	1.2
127.03896	0.4
135.11685	52.9
136.12022	1.2
138.26894	0.3
147.04385	0.4
149.02318	3.2
149.13257	15.0
159.11688	0.4
163.14865	1.7
172.26518	0.3
174.22984	0.3
205.08904	0.3
205.12151	0.8
205.19507	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	206.0448
Annotation	6-Hydroxykynurenate
Peak:m/z	Relative Intensity
53.28060	0.2
66.96329	0.2
71.57554	0.5
72.01523	0.2
88.02283	0.2
91.05476	0.4
104.04972	0.6
109.02743	0.2
110.06042	0.3
132.04445	22.5
139.56549	0.3
150.02701	0.4
160.03896	0.4
178.04985	100.0
179.05327	1.2
194.37918	0.3
206.04475	59.7
207.04723	0.6
209.36990	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.0775
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11952	1.2
56.96563	10.5
69.67545	10.2
81.07033	1.4
84.96059	1.8
85.71911	1.4
89.74744	1.6
95.75284	1.2
98.97585	5.0
100.02496	4.4
101.00874	11.4
101.02570	2.0
102.02228	3.7
107.00885	1.4
107.08595	1.6
116.98650	6.7
118.03522	3.8
119.01919	85.1
120.01983	8.5
121.01677	14.5
124.02435	3.9
134.99677	4.1
137.02956	43.0
138.03001	3.8
139.02692	9.0
141.05098	3.3
142.03496	100.0
143.03613	5.3
143.65314	1.7
144.03249	11.9
159.06184	4.3
160.04552	56.6
161.02937	5.6
161.04689	4.6
162.04308	6.1
165.05167	7.9
171.99315	2.2
173.01341	2.1
177.00867	6.2
178.01016	2.9
178.03853	2.6
179.00668	7.7
180.00888	1.7
180.49702	3.2
182.67337	1.5
182.99681	2.5
183.01495	1.4
183.03426	1.9
183.06163	16.5
184.04610	2.6
188.99149	9.3
189.49225	4.1
189.98987	2.0
191.49408	3.3
191.99559	2.6
192.49358	2.1
197.99637	3.1
200.49960	34.0
201.00363	13.1
201.02507	3.1
201.04190	1.7
201.07219	8.0
201.49826	8.4
209.50543	2.3
210.00558	2.4
212.00781	7.0
217.17290	1.6
219.01770	3.4
219.03653	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.195
Annotation	alpha-Farnesene
Peak:m/z	Relative Intensity
55.05503	7.7
57.07071	1.8
67.05502	26.0
68.01368	0.8
69.07056	12.2
69.59531	6.9
79.05487	7.9
81.07052	53.4
83.08629	3.9
91.05473	3.5
93.07040	26.0
95.08601	100.0
96.08973	1.1
97.02908	1.0
97.10143	4.6
105.07015	1.0
107.08587	17.5
109.10150	62.1
110.10461	1.1
111.11759	1.1
121.10136	41.4
122.10462	0.9
123.11703	23.3
135.11676	20.3
149.13251	29.8
162.92876	0.8
163.14838	1.6
205.19507	24.8
212.76662	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.195
Annotation	(-)-alpha-Chamipinene
Peak:m/z	Relative Intensity
52.48168	0.8
55.05505	12.3
56.68134	0.9
57.07076	5.7
67.05169	1.8
67.05502	24.1
67.05864	1.2
69.06719	1.6
69.07067	22.6
71.01619	0.9
71.08619	1.5
71.32516	1.5
71.32876	2.1
79.05481	11.8
81.07053	41.7
83.08609	10.0
91.05479	7.6
93.07038	40.6
95.04934	1.4
95.08601	100.0
96.08918	1.5
97.10163	9.3
98.17904	1.0
101.50397	0.9
105.07047	5.7
107.07861	1.9
107.08588	38.5
109.10152	54.8
111.11710	2.7
117.07005	8.0
119.08564	2.2
121.10137	42.7
123.11702	54.8
125.13250	1.8
131.08571	7.2
133.10109	1.1
135.11690	50.0
137.13239	2.6
144.09270	1.1
145.06395	1.1
146.67719	1.1
147.04314	1.1
149.13251	61.6
159.11694	13.1
163.14838	4.9
205.12154	4.7
205.19501	46.9
206.19948	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1951
Annotation	alpha-Farnesene
Peak:m/z	Relative Intensity
53.03942	1.6
55.05511	16.5
57.07056	5.7
61.92996	1.4
67.05498	13.5
69.06716	2.4
69.07067	30.8
69.85705	3.2
69.86115	5.2
71.08633	1.5
79.05501	13.9
81.07053	57.7
83.08606	10.8
88.10677	1.3
91.05463	8.2
91.39739	1.2
93.07038	53.0
95.08601	51.2
97.02898	2.1
97.10175	12.4
105.07014	5.6
107.08597	52.8
109.10150	44.8
111.11716	5.2
119.08554	2.2
121.10143	100.0
123.11692	24.7
135.11690	42.1
137.13252	2.8
149.02357	3.1
149.13261	65.7
163.14816	7.6
205.19513	63.2
206.20020	2.0
208.55621	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.195
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	0.8
55.05509	7.2
57.07071	1.9
64.17757	0.6
67.05503	6.0
69.06723	0.9
69.07069	12.0
70.85440	1.7
70.85775	0.6
71.08611	0.8
79.05491	7.0
81.07055	40.5
83.08611	7.1
85.77823	0.6
91.05460	4.2
93.07040	39.8
95.08606	19.9
97.10153	4.1
105.07027	2.8
106.64925	0.8
107.08591	21.9
109.09456	1.3
109.10152	17.4
111.11713	1.7
119.08617	0.8
121.10140	100.0
122.10485	2.0
123.11716	8.0
128.29555	0.6
135.11697	15.0
141.15985	0.7
147.04393	2.7
149.02296	3.5
149.13252	39.6
150.07446	0.7
150.13518	0.8
163.14789	3.0
205.19516	24.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1951
Annotation	alpha-Farnesene
Peak:m/z	Relative Intensity
51.71073	0.6
53.03931	1.2
55.05508	11.7
57.07065	2.5
67.05503	10.2
69.06716	1.3
69.07065	16.3
71.08611	1.1
71.39825	0.9
71.40166	1.3
74.09663	0.7
78.08065	0.9
79.05494	10.7
81.07057	47.5
82.39828	0.6
83.08625	5.3
91.05482	4.9
93.07041	46.7
95.04945	1.4
95.08607	32.5
97.10163	7.0
105.07010	3.3
107.08592	30.8
108.15928	0.7
109.10155	26.5
111.11709	2.9
121.10143	100.0
122.10439	0.9
123.11711	12.6
135.11693	20.6
137.13260	1.0
149.13258	42.4
156.11699	0.7
163.14827	4.0
205.19516	29.2
205.21439	1.5
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	(+)-Theonellin
Peak:m/z	Relative Intensity
53.03939	0.9
54.30269	0.8
55.05512	4.3
57.07064	3.1
65.03946	0.9
67.05499	4.9
69.07063	11.3
71.08655	0.7
71.22030	1.4
72.93774	2.0
79.05481	8.8
81.03375	1.0
81.07056	45.0
83.08607	1.9
85.02903	1.3
90.94841	0.9
91.05482	5.8
91.42878	0.7
93.07040	33.5
95.04963	1.2
95.08603	14.1
95.09169	1.3
97.02884	4.4
97.04770	0.8
97.10143	2.4
98.03255	0.8
105.07021	2.8
107.08591	14.7
109.02884	2.5
109.10163	12.6
111.11667	1.1
113.96409	3.0
119.04959	1.1
119.08580	1.2
121.02891	1.6
121.10141	100.0
122.10511	1.8
123.11716	7.3
131.08583	1.5
131.97438	4.4
135.11696	10.8
145.06517	1.3
147.04420	2.3
149.02321	10.2
149.13254	24.8
153.90677	0.8
154.99010	3.0
159.08086	1.3
159.11702	1.3
161.09634	2.1
163.14914	1.7
177.05490	1.1
187.07565	2.1
205.08829	2.1
205.12280	1.6
205.19527	14.9
206.11633	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1224
Annotation	Plastoquinone-1
Peak:m/z	Relative Intensity
53.03944	1.0
55.01886	0.7
55.05512	2.2
57.03431	0.5
57.07085	2.5
59.05000	0.4
60.04512	0.7
60.21182	0.4
61.02952	0.4
65.00692	0.4
65.03935	1.1
67.05508	6.6
69.03434	1.2
69.07067	7.3
69.64478	2.3
69.64887	1.0
73.02914	0.6
79.05493	7.3
81.03421	1.7
81.07056	9.1
83.04979	0.8
83.08615	1.0
85.02920	1.5
91.05482	15.7
93.03410	0.6
93.07047	8.4
93.41686	0.5
95.04959	2.1
95.08611	4.5
97.02892	8.2
97.04837	0.5
98.03249	0.8
99.04474	1.2
103.05445	3.0
103.67728	0.4
105.03407	0.4
105.07034	22.1
107.04946	1.3
107.08597	5.2
109.02876	3.7
109.06541	0.5
109.10156	1.2
111.04468	1.5
115.05451	1.9
116.06253	1.4
117.07019	67.1
118.07365	1.0
119.04947	1.6
119.08584	9.3
121.02863	1.1
121.06535	2.4
121.10170	2.4
123.04434	1.2
123.11704	9.6
125.05989	0.8
127.03922	1.7
127.05847	0.8
128.06172	0.7
129.07005	4.0
130.07796	1.8
131.08569	100.0
132.08907	1.7
133.10132	6.3
135.04413	1.8
135.08037	1.1
135.11708	5.4
137.05989	0.8
139.03880	0.6
143.08548	1.7
144.09338	7.9
145.05307	0.7
145.06485	7.3
145.10129	6.9
147.04395	5.5
147.08098	0.4
149.02356	14.0
149.05969	7.1
149.09679	0.5
149.13269	1.9
154.07787	0.5
157.10150	2.1
159.08083	10.1
159.11694	82.6
160.12483	8.7
161.05977	0.5
161.13222	2.7
163.07539	3.2
163.11122	0.8
165.05486	1.1
169.10159	1.0
177.09160	2.0
177.12767	7.8
187.07661	0.6
187.11179	7.5
205.04938	1.1
205.09041	1.8
205.12242	58.6
205.19589	1.3
206.12563	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1222
Annotation	Plastoquinone-1
Peak:m/z	Relative Intensity
51.02380	0.4
53.03942	2.4
55.01867	2.1
55.05495	0.7
56.96571	0.5
57.03434	0.6
57.07074	3.0
59.04990	0.3
60.04527	1.4
61.02930	0.6
61.04857	0.4
65.03939	1.1
67.05494	1.3
68.05013	0.5
69.03423	2.6
69.05358	0.3
69.07046	0.9
69.48763	0.6
69.49166	2.0
71.01352	1.8
71.04989	1.0
73.02942	0.6
77.03902	0.6
79.05482	1.9
79.93996	0.3
81.03419	3.1
81.07053	2.5
81.46796	0.3
83.04967	1.5
84.04503	0.4
85.02908	3.6
85.06536	1.0
91.05476	19.1
92.63097	0.2
93.07037	59.1
94.07384	0.5
95.04959	6.5
95.08609	1.9
96.04523	0.3
97.02886	9.5
97.04807	0.7
97.06506	0.4
98.03214	1.0
98.97562	1.2
99.04465	2.2
99.34148	0.3
103.05463	3.6
105.04501	1.2
105.07021	3.3
107.04952	0.9
107.08593	2.9
109.02873	5.8
109.06490	1.0
109.10139	1.1
111.06326	0.3
111.08121	0.3
114.05531	0.6
115.05374	2.7
116.06203	0.7
116.98602	0.9
117.07007	5.2
118.06551	0.4
119.01896	0.5
119.04892	0.6
119.08604	2.7
120.08076	0.4
121.02929	2.0
121.06495	100.0
121.10114	3.5
122.06820	1.5
123.04459	0.4
123.08044	0.6
123.11718	1.6
126.05549	0.4
127.03912	2.5
127.05838	0.7
128.06190	0.9
129.07001	1.9
130.07788	0.4
131.01904	0.4
131.04927	1.6
131.08560	6.1
133.06464	0.9
133.10118	1.2
134.99661	0.6
135.04402	0.4
135.08052	4.2
135.09003	0.5
135.11674	2.6
137.05974	0.3
139.03877	0.9
139.05779	0.4
141.06973	4.5
144.05702	3.2
144.08157	0.3
144.09319	1.3
145.05110	0.5
145.06462	4.5
145.10106	2.0
146.05988	0.6
147.04376	0.7
147.08038	1.2
147.11656	0.5
149.02332	15.6
149.05931	1.2
149.09599	1.0
149.13240	1.7
150.02615	0.5
151.07529	1.1
155.06033	0.5
157.06516	0.8
158.07280	1.4
158.99525	0.5
159.04460	0.3
159.08035	5.7
159.11693	5.3
160.07460	0.5
161.02943	0.4
161.05943	1.1
161.09570	0.6
162.06720	0.5
163.07578	0.9
163.11172	2.9
167.03331	0.4
169.06506	1.1
172.08815	1.2
173.05959	1.7
175.07574	0.5
177.00659	0.7
177.05421	1.2
177.09053	1.4
177.12737	2.9
187.06111	0.5
187.07535	13.1
187.11081	2.4
187.14806	0.5
188.06914	0.7
194.05171	0.4
194.06953	0.3
197.01213	0.4
201.00601	0.3
205.04982	1.0
205.06775	0.5
205.08717	7.3
205.12218	20.5
205.19453	0.9
206.04427	0.5
206.12143	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1796
Annotation	Eremophila-1(10),8,11-triene
Peak:m/z	Relative Intensity
51.62305	0.4
53.03948	0.8
55.05505	5.5
57.07088	1.3
60.04525	3.6
61.02901	0.4
65.03924	0.7
67.05500	10.4
68.05026	2.2
68.18987	0.5
69.07068	17.7
71.13169	1.0
79.05495	6.4
81.07054	26.8
81.80371	0.5
83.08615	4.1
83.51234	0.4
84.04494	3.6
85.02888	0.9
91.05478	14.3
93.07039	13.8
95.04992	1.1
95.08606	24.2
96.04493	3.5
97.02879	4.4
97.10168	0.9
98.06010	0.6
99.04449	0.6
105.07028	41.4
106.07328	0.7
107.08590	16.0
109.06506	0.6
109.10152	24.8
110.06062	0.7
114.05508	2.9
115.05479	1.6
117.07033	2.6
119.08578	28.4
119.13803	0.5
121.10137	12.1
123.11707	5.2
126.05511	5.4
128.06201	0.9
129.06982	1.0
130.07759	0.6
131.08568	5.2
133.10126	37.1
134.10536	0.5
135.11697	3.2
138.05498	0.6
142.07753	1.3
143.04964	0.7
143.08582	1.4
144.06572	0.8
144.09323	0.7
145.06519	0.6
145.10124	9.6
146.10748	0.6
147.11681	70.9
148.12125	0.5
149.13211	0.5
157.10153	1.9
159.11681	5.2
160.05197	1.8
160.12479	8.0
161.05988	0.7
161.09607	1.4
161.13246	18.7
168.06619	0.9
174.13972	0.8
175.07518	4.1
175.14815	4.8
185.09654	1.1
185.13257	1.5
186.07593	0.5
203.03384	0.6
203.05298	0.7
203.07028	4.3
203.10617	3.2
203.14301	5.2
203.17949	100.0
204.06883	0.7
204.08673	5.7
204.13864	1.7
204.18242	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1223
Annotation	4'-Hydroxy-3'-prenylacetophenone
Peak:m/z	Relative Intensity
53.03959	0.8
55.01862	0.7
55.05502	2.3
57.07075	3.7
60.98968	0.6
65.03960	1.2
67.05503	7.6
69.03420	1.9
69.07069	7.4
69.41512	0.6
70.17152	1.3
70.17544	1.5
71.04993	1.0
73.02930	1.1
75.93134	0.7
79.05485	8.1
81.03416	3.0
81.07050	13.5
83.08620	0.7
85.02910	2.5
91.05477	15.5
91.06004	1.3
93.03368	0.8
93.07034	8.6
94.33868	0.7
95.04964	2.3
95.08595	5.3
97.02885	14.2
98.03228	0.7
98.20856	0.8
99.04462	2.1
103.05472	3.7
105.07024	23.3
107.04957	0.9
107.08588	6.3
109.02879	7.0
109.10159	3.4
111.04469	1.6
114.05559	1.1
115.05449	2.8
116.06221	1.5
116.88695	0.6
117.07012	63.4
117.72523	0.6
118.07385	1.0
119.04953	5.3
119.08574	12.8
121.02884	1.7
121.06501	3.1
121.10143	3.6
123.04391	0.9
123.05216	0.7
123.11700	16.2
123.82977	0.7
125.05997	1.2
127.03911	1.9
127.05869	1.1
129.06999	3.1
130.07780	1.9
131.04945	1.6
131.08562	100.0
132.08925	2.1
133.10138	6.0
135.04428	2.0
135.08047	1.3
135.11685	9.9
137.05954	1.6
141.07053	0.8
143.08551	2.2
144.09319	6.5
145.05295	0.9
145.06447	5.9
145.10123	6.3
147.04402	16.8
147.08032	0.8
149.02330	18.3
149.05962	6.6
149.13255	2.7
157.10114	2.2
159.08090	12.0
159.11684	78.0
160.12474	8.8
161.13234	2.4
163.07515	3.8
163.11160	1.6
165.05460	3.4
169.10097	1.6
177.09114	2.0
177.12727	8.5
187.07547	0.7
187.11165	8.3
205.04846	1.1
205.08929	3.1
205.12234	59.8
205.15886	2.0
205.19493	2.5
206.12651	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1794
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
53.03923	0.9
55.05297	0.9
55.05510	8.6
57.03429	1.3
57.07064	2.9
60.04531	1.9
67.05505	12.9
68.05022	1.5
69.07065	30.3
69.82050	0.8
70.36233	3.5
73.70097	0.8
75.29366	0.7
76.83633	0.8
79.05482	6.4
81.07054	35.1
83.08611	5.9
84.04482	3.6
87.17161	0.7
91.05477	11.5
93.07036	14.2
95.04948	1.2
95.08600	40.7
96.04468	1.8
97.02882	2.9
97.10137	1.3
105.07027	68.7
107.08588	16.2
109.10150	30.1
114.05492	1.9
117.06977	1.1
119.08575	49.6
121.10136	17.7
123.11707	11.8
126.05532	4.1
129.07021	1.0
131.08562	3.6
133.09106	1.8
133.10123	36.8
135.11661	6.4
144.06563	1.0
145.10123	7.0
146.10930	1.0
147.11679	78.5
148.12036	1.0
159.11700	2.6
160.12471	5.3
161.13248	25.4
175.14798	5.2
179.14272	1.1
203.17946	100.0
204.08644	3.9
204.18280	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1796
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
51.70841	0.5
53.52028	0.5
55.05510	4.9
57.03432	1.0
57.07070	1.9
65.03945	0.5
67.00603	0.6
67.05170	0.7
67.05505	8.7
67.05836	0.9
69.07066	14.0
70.88216	0.5
70.88554	0.8
77.49301	0.5
79.05494	5.4
80.77008	0.5
81.07056	25.8
83.08618	3.1
83.56676	0.5
84.04514	0.7
85.02906	0.6
91.05483	11.1
93.07040	12.3
95.08604	27.8
97.02901	0.6
97.10171	1.2
98.20816	0.5
105.07030	42.6
107.07865	0.8
107.08594	15.2
109.06522	0.5
109.10155	21.7
114.05547	0.9
117.06994	2.0
119.08578	38.4
121.10148	12.0
123.11720	5.6
126.05537	0.8
131.08559	2.5
133.10129	34.5
134.32794	0.4
135.11684	2.8
145.10126	6.1
147.11684	64.1
159.11688	2.1
160.12469	4.4
161.13252	20.0
175.14833	4.9
203.17950	100.0
204.18294	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1793
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
53.03939	1.4
54.11234	1.0
55.05499	5.5
57.07072	5.6
67.05502	14.6
67.32590	1.2
69.07062	13.8
69.91899	1.9
69.92310	4.3
79.05486	6.1
81.07050	30.5
83.08606	4.5
91.05471	14.5
93.07051	11.8
95.08595	33.5
98.21387	2.0
105.07021	100.0
106.07382	1.2
107.08580	16.4
109.10149	28.1
110.64952	1.0
116.32686	1.0
117.07047	2.1
119.08568	41.2
119.54172	1.2
121.10139	17.1
123.11673	6.5
124.59171	1.2
131.08582	3.6
133.10115	34.3
135.11664	4.5
145.10132	5.0
147.11674	76.1
159.11656	1.7
160.12483	2.1
161.13240	21.9
165.93961	1.0
175.14775	9.8
203.17943	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	203.1794
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
55.05513	3.3
57.07052	0.8
67.05169	0.8
67.05504	12.0
67.41167	0.5
69.07063	5.4
69.51350	0.5
70.04522	0.5
70.91566	1.4
79.05487	5.0
81.07048	20.7
83.08617	1.5
91.05476	8.8
93.07035	17.2
95.04938	0.8
95.08601	45.5
97.10181	0.7
98.61235	0.5
105.07021	29.0
107.08588	26.5
107.65867	0.5
109.10151	29.3
119.08571	24.9
121.09313	1.1
121.10141	14.7
122.10384	0.5
123.11712	5.7
128.92941	0.5
133.10126	15.4
135.11659	2.5
140.86400	0.5
145.10057	0.7
147.11679	36.8
159.11603	0.7
161.13240	15.1
175.14819	7.8
203.17943	100.0
204.18326	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1794
Annotation	Eremophila-1(10),8,11-triene
Peak:m/z	Relative Intensity
51.30217	0.6
55.05308	0.6
55.05513	7.3
56.96532	0.6
57.07081	3.5
57.07315	0.6
59.88441	0.6
60.04509	2.2
67.05167	0.9
67.05500	13.0
68.05014	1.4
69.06715	1.0
69.07067	13.0
70.16154	1.8
70.16562	1.6
77.57803	0.6
79.05486	5.5
79.71241	0.6
81.07050	25.6
83.08611	3.8
84.04484	3.2
85.02866	0.9
88.36842	0.7
91.05476	12.1
93.07037	12.4
95.04963	0.8
95.08604	39.6
96.04491	3.0
97.02896	2.7
97.10135	1.0
98.20820	1.0
105.07025	75.0
107.07867	1.3
107.08589	20.1
109.10149	31.4
110.06045	0.8
114.05515	2.7
115.05439	2.8
117.07010	2.7
118.37823	0.6
119.08575	50.4
120.08894	0.9
121.10132	14.8
123.08034	0.7
123.11699	9.2
126.05484	3.5
131.08578	3.5
132.05722	0.9
132.09404	0.7
133.10124	40.6
135.11665	4.7
138.05502	0.8
140.46899	0.6
143.04890	1.6
145.10121	7.3
147.11678	62.2
148.12044	1.1
157.10103	1.3
159.11713	3.1
160.05185	2.9
160.12457	3.3
161.13251	22.7
161.14597	1.3
171.04478	0.7
173.13246	0.9
174.14063	1.0
175.07535	8.8
175.14803	9.8
188.04752	0.8
203.07022	4.4
203.10687	1.9
203.17943	100.0
204.08725	3.8
204.13852	1.1
204.18274	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	202.056
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14837	0.7
51.06899	0.9
56.96566	2.1
70.81226	2.8
82.01441	2.0
82.99822	1.1
89.31344	0.8
98.97585	3.6
100.02482	12.5
100.97151	2.8
100.98023	1.0
101.00864	12.0
116.98646	5.0
118.03500	8.6
118.98199	1.5
119.01916	100.0
120.02023	1.8
121.01614	1.3
124.02448	1.3
134.99652	2.9
136.04469	0.9
136.99234	1.2
137.02953	49.9
138.07005	0.8
142.03493	35.4
143.03603	1.6
154.98540	0.9
156.97394	1.1
160.04555	22.9
161.02950	17.1
165.05083	1.8
174.98526	1.1
177.00938	1.2
178.01021	2.1
178.05585	2.6
179.04008	49.1
179.98102	3.2
184.04594	1.7
187.99377	1.1
197.99100	10.6
199.50035	4.2
200.00110	1.9
202.05615	3.2
220.02129	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1277
Annotation	Sebacic acid
Peak:m/z	Relative Intensity
55.01869	5.2
55.05514	37.6
56.96572	15.4
57.03417	5.7
59.04999	25.4
60.04502	9.0
61.02912	8.3
67.05520	21.3
68.05019	3.2
69.03432	36.1
69.07067	29.3
69.26447	18.2
69.26873	16.3
71.04988	29.1
73.02904	4.4
79.05495	32.7
81.03412	5.0
81.07057	60.8
83.04986	46.8
83.08601	5.2
84.04489	6.3
85.02882	11.5
85.06528	3.3
91.05492	25.1
93.07044	34.1
95.04968	25.3
95.08603	38.3
96.04507	10.4
97.02866	17.3
97.06539	32.8
97.10146	8.7
98.08699	3.0
98.97571	11.4
99.04463	5.0
101.27643	2.8
103.05460	2.9
105.07038	22.4
107.08598	100.0
109.06490	19.3
109.09460	4.9
109.10155	63.9
110.70803	2.9
110.97555	4.1
111.04428	5.0
111.08118	4.3
111.11722	5.1
113.09615	3.5
114.05525	9.5
115.07546	3.1
116.98617	11.2
117.92823	3.4
119.01868	5.0
119.04934	16.7
119.08567	9.3
121.06499	9.1
121.10139	59.0
123.08061	54.1
125.05981	7.7
125.09634	60.1
126.05487	8.4
127.11204	3.3
128.98610	5.0
129.06937	5.4
131.08537	10.4
131.68927	2.9
133.10106	10.0
134.99716	3.8
136.08873	16.2
137.09615	40.2
139.11180	41.8
141.09102	6.2
143.08446	4.6
147.04404	64.8
149.09634	16.8
155.10689	19.5
157.06526	5.0
157.10135	6.8
157.12297	4.1
158.99782	3.4
161.01190	5.4
161.09624	4.5
161.13322	3.4
167.09308	5.9
167.10678	95.1
175.07576	4.7
177.00693	5.5
183.03130	10.7
184.09021	3.2
185.05907	3.5
185.11720	9.8
186.07643	3.1
192.03575	10.9
192.05153	2.8
203.03362	11.1
203.05234	6.1
203.07124	18.4
203.10652	15.1
203.12482	3.5
203.14369	9.5
203.54364	4.8
203.57664	3.3
204.08733	17.2
219.01869	4.6
221.01193	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	201.1638
Annotation	gamma-Calacorene
Peak:m/z	Relative Intensity
55.05504	2.8
56.96555	0.9
57.03451	0.7
57.07077	3.7
59.93117	1.0
61.24806	0.6
67.05500	5.7
69.07078	4.4
71.08632	1.9
71.20434	1.1
71.20777	1.2
77.94128	0.7
79.05487	5.8
81.07055	11.9
83.08614	1.5
88.19553	0.6
91.05471	10.6
93.07043	12.6
95.04971	1.2
95.08611	13.2
99.08083	2.1
105.07034	18.3
107.08591	18.2
108.37469	0.7
109.06509	0.9
109.10152	3.3
114.05573	0.8
114.95615	0.8
115.05445	1.4
117.07016	14.1
117.07838	0.8
118.96777	6.4
119.08575	14.4
121.10143	7.1
123.51857	0.7
129.06995	4.5
130.07767	3.8
131.08572	27.8
132.96696	1.3
133.10127	7.4
133.99112	2.5
134.99661	1.0
141.98308	1.2
142.07764	0.8
143.08600	4.0
144.09337	6.8
145.10121	57.8
146.10849	1.1
147.11713	1.2
150.95595	1.1
154.59018	1.0
154.96486	2.7
157.10124	3.6
158.10883	2.5
159.11690	99.9
159.97128	0.9
160.12097	2.4
166.09808	1.0
171.11639	2.1
172.12466	0.8
172.97499	0.7
173.06041	0.7
173.13261	13.5
174.13731	0.8
177.98067	7.4
186.14021	1.9
196.02493	0.7
199.14795	1.1
200.99677	1.8
201.05327	0.8
201.09119	2.3
201.16380	100.0
201.24036	9.2
202.16815	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	200.0229
Annotation	Unknow
Peak:m/z	Relative Intensity
56.42356	0.6
56.96563	9.9
59.95004	0.6
65.25668	0.7
66.75636	0.5
67.55118	0.6
69.91764	3.7
71.95260	1.9
98.20827	1.1
98.97578	91.9
99.97916	0.8
108.33051	0.6
108.80990	0.8
116.98615	100.0
119.01917	1.1
134.99651	75.0
137.02950	0.7
137.22038	0.6
140.00200	2.9
153.00696	14.8
153.04089	0.8
158.01230	6.4
158.99657	0.7
176.02304	2.3
176.04076	0.7
177.00674	5.4
182.32188	0.6
189.42348	0.6
195.01721	5.1
200.02475	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1637
Annotation	beta-Calacorene
Peak:m/z	Relative Intensity
55.05499	0.3
57.07071	4.6
58.07400	0.4
67.05491	0.6
68.90154	0.2
69.07069	0.5
71.08632	5.2
71.51434	0.5
71.74184	0.2
74.06075	0.6
81.07036	0.6
83.08598	0.3
88.07632	1.5
89.07958	0.8
91.05480	1.7
91.67644	0.2
101.53235	0.2
102.09169	0.7
103.09509	0.5
105.07027	8.8
107.08560	0.4
110.78422	0.2
114.39426	0.2
115.05449	0.6
117.07018	4.0
118.96784	0.4
119.08583	0.9
128.06149	0.5
129.07002	0.9
130.07784	3.9
131.08571	10.0
142.07799	0.3
143.08612	2.2
144.09390	1.2
145.10117	100.0
146.10445	2.0
147.25516	0.3
155.59933	0.5
157.10144	0.9
159.11690	16.1
160.12056	0.5
173.13272	0.5
177.98178	0.3
201.05527	0.3
201.12769	0.5
201.14905	0.2
201.16388	12.2
201.20424	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	200.0231
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84141	0.4
55.01892	0.4
56.96564	17.1
57.03433	1.1
60.68405	0.4
61.02917	1.1
66.36338	0.4
69.03411	1.3
70.06556	0.7
70.64942	1.1
71.95260	2.3
73.02914	1.8
81.03405	0.7
85.02905	1.9
91.05475	0.6
96.80939	0.4
97.02891	1.5
98.21408	0.5
98.97581	97.1
99.04440	0.5
101.00891	0.5
109.02882	0.8
110.01234	0.6
116.98617	100.0
117.98907	0.6
119.01894	1.6
119.04968	0.8
127.03928	0.8
128.02303	0.6
128.98627	1.0
131.00134	0.5
131.01892	1.3
133.01750	0.6
133.03432	1.3
134.99652	74.1
136.00009	0.5
136.06183	0.5
137.05968	3.8
140.00171	3.3
140.98618	0.6
146.99623	0.7
147.04417	0.8
149.02972	0.5
153.00710	15.1
155.02821	1.0
158.01237	7.5
158.99669	2.3
161.01353	0.5
161.02887	2.3
174.03287	0.5
176.02304	1.9
177.00711	8.2
177.02205	0.8
177.04025	0.5
181.02914	0.7
189.00705	0.5
191.03864	0.5
195.01807	4.2
199.18887	1.1
200.04169	1.0
201.00789	0.6
207.01701	0.4
219.01787	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.1329
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
53.03945	0.8
55.05513	15.6
55.05778	0.7
56.05830	0.6
56.96554	1.2
57.03422	0.7
57.06821	0.7
57.07076	10.0
67.05486	2.5
69.03447	0.8
69.07063	4.0
71.08624	0.7
71.11291	1.2
74.09727	5.4
75.94583	0.7
78.34286	0.5
79.05489	2.3
81.07059	4.8
83.04982	8.4
83.08604	2.0
85.06543	5.1
91.05476	2.4
93.07043	8.9
95.04966	1.2
95.08604	9.4
97.06535	4.2
98.97591	3.7
100.07603	1.1
105.07054	3.0
107.04988	0.7
107.07872	1.0
107.08599	17.5
109.06528	2.9
109.10159	3.2
111.04443	100.0
111.08051	3.3
111.11650	0.5
112.04781	0.5
113.06007	1.7
116.97236	6.7
116.98602	5.9
117.07011	1.6
119.08573	1.0
121.06491	2.6
121.10145	2.5
122.07274	1.1
123.08054	1.0
125.05064	1.2
125.05988	24.7
127.07544	3.1
130.07776	1.2
131.99553	1.5
134.99669	5.2
135.07068	0.4
135.08052	13.9
135.11691	18.5
137.09622	0.7
137.13243	1.7
139.03891	0.8
139.07530	3.0
139.98802	0.6
143.08533	1.1
145.10121	13.8
152.96957	1.7
153.00729	1.3
153.12756	5.1
157.10155	0.8
157.97459	0.6
158.01308	1.1
158.15379	1.3
163.11183	23.5
175.98549	5.9
181.12236	36.4
182.12570	0.6
199.14854	2.1
199.18898	23.7
211.49963	0.6
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	Kobifuranone A
Peak:m/z	Relative Intensity
53.03949	1.2
55.01870	1.3
55.05512	2.6
57.03431	0.7
57.07066	1.2
58.31681	0.5
59.04997	2.7
60.16937	0.6
60.75916	0.5
65.03936	1.2
65.23722	0.5
66.93980	0.6
67.05508	4.2
69.03427	1.4
69.07085	1.5
69.68700	2.7
69.69120	1.3
70.95880	1.2
71.05014	0.7
72.93801	0.7
79.05494	5.3
81.07051	6.2
85.06548	1.0
91.05484	12.3
93.07046	20.8
95.04971	6.6
95.08611	2.7
97.06536	0.8
103.05464	0.9
105.03377	0.6
105.07029	25.3
107.04974	0.7
107.08592	62.9
109.06504	5.1
109.10160	5.5
111.98489	1.2
113.06017	0.5
115.05460	0.6
117.07024	0.9
118.07764	0.6
119.04952	1.5
119.06057	0.7
119.08568	7.6
120.09409	0.6
121.06519	6.1
121.10140	1.2
123.04458	3.4
123.08121	1.1
123.11663	3.4
125.06043	0.6
129.99538	1.0
131.08562	2.6
132.95824	2.4
133.02913	1.4
133.10127	64.0
134.10506	1.3
135.08080	1.7
135.11691	56.3
136.12025	1.4
137.05995	4.7
137.09602	4.3
143.08559	0.9
146.07263	1.9
150.96898	4.2
151.03964	1.0
151.07584	0.7
151.11157	5.8
155.97421	2.1
161.09615	30.4
162.09990	0.7
165.05531	0.6
167.08632	0.6
169.10068	1.0
173.98459	4.2
179.10667	98.0
180.11003	2.3
197.11728	100.0
198.12093	1.9
198.18539	7.4
208.65622	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.0713
Annotation	Clavaminic acid
Peak:m/z	Relative Intensity
53.03861	0.7
53.04083	0.5
55.01766	0.8
55.02037	0.6
55.05391	1.2
55.05680	0.8
56.04941	0.6
56.05757	0.4
56.96444	1.8
56.96758	0.8
57.03335	0.7
57.06994	0.5
57.07220	0.4
57.93466	0.7
57.93722	0.5
59.06017	0.7
63.02287	0.7
65.03819	1.5
67.01746	1.1
67.05379	0.9
67.05691	0.3
68.01270	1.1
68.04944	0.8
69.03303	1.2
69.03680	0.7
69.06937	2.2
70.06472	0.9
70.71406	1.1
72.04418	0.7
73.02823	0.6
74.09590	2.6
74.10047	0.8
75.94519	0.7
78.03342	0.9
79.05410	0.8
80.01300	0.3
80.04884	8.1
80.05407	1.3
81.03288	2.5
81.06963	0.6
81.16341	0.3
82.06479	0.3
83.01243	0.9
83.01698	0.4
83.04877	0.6
83.05998	0.6
83.08475	1.1
84.04379	1.0
84.08868	0.4
85.02767	1.2
85.06468	0.5
90.03364	0.6
91.05361	2.0
93.06920	1.2
95.04846	1.8
96.04357	1.3
97.02762	1.9
97.06419	0.3
98.05980	0.6
98.10410	0.4
98.97457	7.7
99.04364	0.3
100.07475	1.2
105.06965	0.4
106.02789	1.2
106.03470	0.4
107.04885	0.8
107.08468	1.0
108.04469	4.0
108.05563	0.4
109.02825	0.7
110.03657	2.7
110.97461	0.3
111.04446	2.5
111.11648	0.7
112.31561	0.3
115.02263	0.7
116.97250	6.5
116.98601	9.4
118.02794	0.5
119.01795	0.4
119.03568	0.8
119.04844	1.1
121.06445	0.7
121.10050	0.4
123.04411	2.9
124.03947	2.5
124.05102	1.2
125.02297	0.7
125.04638	1.3
125.05897	0.4
125.07017	0.3
126.03058	0.3
126.05403	0.5
127.02216	0.7
127.03863	0.5
128.03387	0.4
128.98529	0.6
131.99568	2.4
134.02939	0.9
134.95830	0.5
134.99649	11.0
135.04330	0.6
135.08008	0.7
136.03854	7.1
136.05096	11.5
136.06125	0.6
136.07425	0.6
137.02257	1.1
137.04727	6.7
137.05836	1.3
139.02220	0.4
139.03844	0.7
140.00131	0.6
140.03305	3.1
140.04559	1.9
140.06967	1.1
140.08046	0.6
140.25551	0.3
142.04988	0.4
143.08444	0.5
146.99622	0.8
148.02762	0.8
148.96126	0.6
149.03546	0.4
152.03392	0.8
152.06993	0.6
152.96931	3.2
153.00722	3.3
153.05400	0.9
153.09073	0.7
155.06947	0.9
157.10106	0.7
157.97325	0.5
158.01210	1.1
164.03430	7.2
164.07037	0.4
165.04225	3.4
167.07008	0.8
169.03333	1.4
170.97954	0.9
175.03763	0.4
175.98526	7.6
176.02310	1.2
177.00728	0.6
178.03870	5.2
178.54039	0.7
181.04947	0.7
181.08414	0.5
181.09818	0.8
182.04480	100.0
183.04816	0.9
189.54684	0.6
193.01779	0.6
193.99608	0.6
198.18492	0.4
199.00146	0.5
199.03972	0.6
199.07207	5.4
199.10909	1.1
199.18887	19.2
211.02827	1.0
217.05389	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1172
Annotation	Kobifuranone A
Peak:m/z	Relative Intensity
53.03938	1.8
53.84612	0.7
54.12400	0.8
55.01862	2.4
55.05503	3.4
57.03431	1.0
57.07071	2.1
59.04990	1.6
65.03921	1.4
67.05506	3.9
68.99794	0.9
69.07055	2.5
69.72701	5.6
70.95856	8.5
71.04968	1.1
71.08631	0.8
72.93780	4.4
73.02909	1.3
79.05498	6.3
80.54950	0.8
81.07045	7.8
83.04982	1.4
83.08612	1.1
85.06530	1.6
88.96897	2.4
90.94820	0.9
91.05484	14.7
91.91001	0.8
93.07044	19.1
95.04967	8.0
95.08609	3.5
97.02909	0.8
97.06512	2.2
99.04442	0.8
105.03391	6.1
105.07029	26.9
107.04989	1.0
107.08590	57.1
109.06499	5.9
109.10151	6.5
111.04460	1.4
111.98483	8.8
113.08238	3.4
113.96423	1.6
117.06992	1.4
119.04925	1.8
119.08568	7.3
121.06521	5.2
121.10157	1.0
123.04415	3.6
123.08089	3.6
123.11699	2.9
125.05984	6.8
127.03915	2.8
128.06171	1.1
129.99516	6.9
131.08562	2.4
132.95828	11.5
133.02875	1.4
133.06525	0.9
133.10127	57.3
135.08041	1.8
135.11688	52.8
136.12006	0.9
137.05969	9.3
137.08192	1.2
137.09605	4.1
138.06583	0.9
139.07596	0.9
143.08533	1.5
146.07182	1.0
147.04428	2.2
150.96886	28.1
151.03886	4.5
151.07506	1.5
151.11157	6.3
151.97052	0.8
155.97414	10.4
161.09612	33.3
168.97971	1.7
169.14714	0.8
173.98495	27.5
175.26889	0.8
175.37418	0.8
179.10667	100.0
180.11012	2.5
191.99524	0.9
197.00122	2.1
197.11731	76.4
198.12131	1.7
198.18523	24.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1172
Annotation	Tschimganical A
Peak:m/z	Relative Intensity
53.03939	1.0
55.01858	1.1
55.05503	2.2
57.03442	1.0
57.07082	1.0
59.04984	1.0
61.02917	1.3
67.05495	3.6
69.03407	2.2
69.07051	1.5
69.82211	3.6
69.82649	2.0
70.21067	0.8
70.95865	6.1
71.04993	1.1
71.06097	1.1
72.93768	3.3
73.02909	1.4
74.56384	0.8
79.05489	7.8
81.07049	9.1
83.04956	1.1
83.08603	1.1
85.02915	1.2
87.04498	1.2
88.96899	2.0
89.65491	0.8
90.94817	1.0
91.05479	13.3
93.07043	19.1
95.04996	3.8
95.06090	1.1
95.08618	5.5
96.05527	1.0
97.02879	1.5
97.06514	2.4
99.04459	0.9
105.03410	1.1
105.07025	26.5
107.04947	1.0
107.08591	100.0
108.08912	2.0
109.06507	6.0
109.10177	6.8
111.04428	0.9
111.98470	6.0
113.08234	4.7
113.96415	1.0
117.57789	0.8
119.04921	1.9
119.08573	17.0
121.06485	2.3
121.10132	17.0
123.04417	1.1
123.08035	2.2
123.11670	3.4
125.05958	1.4
125.09637	0.9
128.06183	1.1
129.99509	5.2
131.08549	3.6
132.95821	7.6
133.02773	1.2
133.06435	1.6
133.10124	65.6
134.10454	1.5
135.08107	1.4
135.11676	6.3
137.05995	5.2
137.08211	2.3
137.09610	3.6
139.07520	3.7
141.06984	1.8
143.01935	1.1
143.08524	2.5
146.07301	1.1
149.09610	10.5
150.95682	1.6
150.96880	23.4
151.03917	2.6
151.07535	3.5
151.11169	20.6
151.96982	1.0
154.07785	1.4
155.09279	2.6
155.97409	8.2
161.09612	18.7
162.09947	0.9
165.05484	1.2
167.10674	33.0
168.98012	1.7
169.10112	2.5
173.98485	19.6
179.07086	1.5
179.09299	3.0
179.10666	51.4
180.11069	1.6
197.00171	1.8
197.05975	1.7
197.09950	3.7
197.11726	83.0
198.12086	1.6
198.18523	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	197.0809
Annotation	beta-Hydroxypropiovanillone
Peak:m/z	Relative Intensity
53.03935	0.4
55.01865	1.8
55.05507	0.5
57.07056	0.5
58.98924	0.3
59.06092	0.4
60.05666	0.3
65.03927	1.3
67.05518	1.6
68.98553	0.4
69.07058	0.6
70.95863	3.8
71.01355	0.5
71.04987	0.3
71.43311	0.6
72.93787	2.7
73.02917	20.4
79.05476	0.9
81.03391	0.5
81.07047	1.1
83.04955	0.5
87.30148	0.3
88.96893	1.2
90.94819	0.6
91.03953	0.4
91.05479	3.7
93.03397	0.7
93.07027	1.2
95.04970	2.1
95.06100	0.8
95.08595	0.8
96.05603	0.4
97.02879	0.5
97.95168	0.3
105.03395	0.8
105.07025	1.5
107.04933	0.6
107.08585	2.3
108.02059	1.6
109.06517	1.4
109.10146	0.6
110.03672	2.6
111.04478	1.5
111.98468	3.6
113.08253	3.8
113.96452	0.4
114.94793	0.4
119.04915	1.5
119.08570	0.7
121.06468	0.5
123.04424	0.5
123.08108	0.4
125.05992	17.8
127.03913	0.4
129.99532	3.2
131.97423	0.5
132.95833	4.5
133.02875	1.8
133.10118	2.4
135.11679	1.8
136.01532	0.4
137.05988	3.6
137.06992	0.5
137.08197	1.7
137.09596	0.4
138.06705	0.4
141.05469	4.7
147.04431	0.9
149.06000	2.7
150.96898	13.2
151.03905	100.0
151.04977	6.3
151.07423	3.8
152.04231	1.2
153.01024	0.4
155.09229	2.1
155.97423	4.5
156.04169	0.9
161.09602	1.5
165.05469	1.3
168.97928	0.6
173.98495	11.9
174.98766	0.3
179.07031	20.9
179.09291	1.3
179.10547	3.7
182.05840	0.4
197.00134	1.5
197.06212	0.7
197.08090	10.3
197.10083	0.8
197.11761	3.3
197.13429	0.5
197.17407	0.5
198.18542	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0807
Annotation	beta-Hydroxypropiovanillone
Peak:m/z	Relative Intensity
52.93647	0.4
53.03943	0.7
55.01870	2.3
55.05521	0.4
65.03954	1.9
67.05493	1.5
70.95861	0.9
71.22402	0.5
71.22736	0.6
72.93799	0.5
73.02914	23.6
77.25979	0.4
88.74124	0.4
91.03955	0.5
91.05479	2.2
91.24581	0.4
93.03400	1.0
93.95812	0.4
95.04939	1.1
105.03323	0.4
105.07052	0.7
107.08606	0.5
108.02105	1.3
109.02857	0.6
110.03667	2.1
111.04440	2.1
111.98520	0.6
113.08248	0.6
114.45551	0.4
119.04926	2.0
123.04431	0.4
125.05989	19.5
126.06358	0.6
129.99513	0.7
132.95844	1.4
133.10138	0.8
136.01567	0.6
137.05965	0.9
137.08192	0.4
141.05463	5.0
147.04379	0.5
149.05948	2.0
150.96907	3.3
151.03902	100.0
151.04984	6.7
151.07423	3.8
152.04263	1.2
155.09270	0.5
155.97397	1.1
161.02994	0.4
164.55995	0.4
173.98476	2.1
179.07027	23.2
179.10667	0.8
180.07401	0.5
197.08081	11.9
197.11665	0.6
198.18648	0.4
209.73117	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1743
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.1
55.01859	2.8
55.05260	1.3
55.05505	14.4
56.96564	1.2
57.03423	1.1
57.07051	4.4
60.24909	1.2
65.15754	1.0
67.05505	9.5
69.03430	8.6
69.07066	31.5
70.74391	1.0
70.80222	1.0
71.05005	6.6
71.59086	1.4
76.53484	1.1
79.05486	9.9
81.03422	2.6
81.07058	32.2
83.04980	2.6
83.08620	14.4
85.02863	1.3
85.06519	5.8
89.03923	1.1
89.06030	1.0
91.05476	3.9
93.07049	18.0
95.04938	1.1
95.08604	54.5
97.02905	1.2
97.06547	1.6
97.10193	7.9
99.08093	34.2
105.07036	4.0
107.04949	4.3
107.08591	40.1
109.02889	1.8
109.06557	1.1
109.10151	14.5
111.04409	1.8
111.08083	12.5
111.11710	2.9
113.09626	3.9
115.05455	1.1
117.03355	3.3
119.08608	1.9
121.06503	1.2
121.10143	56.4
123.08134	1.9
123.11691	4.7
125.09616	27.9
135.04353	2.3
135.08073	2.0
135.11694	13.5
137.09570	1.0
137.13252	18.1
139.11172	4.6
145.02841	5.2
149.05980	1.6
149.09760	1.1
149.13268	7.0
149.97163	1.1
163.03870	6.2
165.07011	1.7
167.07045	1.1
172.22905	1.1
174.39806	0.9
177.05441	9.3
177.09097	1.1
177.16379	100.0
178.13441	1.0
178.16693	1.6
195.02867	1.6
195.08435	1.3
195.10251	2.3
195.11922	1.3
195.13763	1.2
195.17445	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	195.1744
Annotation	Geranylacetone
Peak:m/z	Relative Intensity
53.03935	1.5
54.12208	0.8
55.01861	3.8
55.05261	1.2
55.05511	17.8
57.03425	0.9
57.07077	4.7
59.04999	1.0
59.11599	0.8
59.32198	0.7
59.42784	0.7
67.05501	7.0
69.03426	9.1
69.07068	31.8
69.78314	4.6
71.04993	6.5
71.08634	1.2
79.05142	0.7
79.05505	9.3
81.03418	2.2
81.07060	31.3
83.04976	2.5
83.08620	17.3
85.02905	1.0
85.06533	4.6
89.03903	2.3
91.05483	4.5
93.06480	1.1
93.07050	19.0
95.04968	1.7
95.08607	53.7
97.06525	1.1
97.10159	7.3
98.20763	0.9
99.08089	35.6
103.05436	1.0
105.06988	3.8
107.04945	3.7
107.08595	42.1
109.10155	11.6
111.04411	2.0
111.08081	12.2
111.11710	3.6
113.09649	4.6
117.03352	2.5
119.08601	1.7
121.02847	0.8
121.10143	64.2
123.11707	3.9
125.08759	1.7
125.09631	26.4
125.10550	1.3
135.04454	1.8
135.10686	1.3
135.11697	18.3
137.09581	0.9
137.13257	16.5
138.06572	1.0
139.11209	3.7
145.02826	6.7
149.05957	2.3
149.13258	5.0
151.07507	0.8
151.14781	1.1
163.03893	6.1
177.05472	6.8
177.16388	100.0
178.16739	1.7
195.02876	1.9
195.06509	1.8
195.08220	0.9
195.16013	0.9
195.17445	25.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1744
Annotation	Geranylacetone
Peak:m/z	Relative Intensity
53.03941	2.1
54.27255	1.1
54.48949	1.1
55.01661	0.9
55.01884	7.4
55.05515	19.7
56.31214	0.9
57.07077	5.3
58.89529	0.9
64.40007	0.9
67.05507	10.2
69.03421	6.7
69.07071	35.6
70.39482	4.1
71.05011	6.3
71.08623	1.4
79.05486	10.7
81.03414	3.6
81.07060	35.6
83.04977	3.6
83.08614	11.1
85.06539	8.8
89.03899	6.7
89.06040	1.7
91.05491	4.2
93.07050	20.6
93.82018	1.0
95.04976	3.6
95.08609	51.9
97.06563	1.5
97.10162	12.9
98.21449	1.2
99.08093	50.2
103.05505	1.4
105.07035	3.4
106.04133	1.2
107.04960	14.9
107.08593	39.2
109.02868	2.4
109.06529	1.9
109.10151	10.7
111.08080	33.7
111.11691	2.1
113.09657	6.2
117.03384	11.0
119.08603	1.2
121.06547	2.1
121.10146	58.3
123.11692	1.7
125.09618	10.2
125.13295	1.6
133.02872	3.0
134.03630	1.8
135.04417	6.7
135.08055	2.6
135.11690	15.0
137.09628	1.9
137.13260	15.1
139.11191	5.1
145.02855	20.9
148.97437	1.3
149.05989	7.1
149.09650	1.6
149.13251	4.8
151.07561	2.7
153.31549	1.2
159.11668	2.0
163.03912	16.0
163.07608	2.3
165.05525	1.9
165.06923	1.7
167.07083	2.4
167.08536	2.1
177.05464	31.6
177.09082	2.6
177.16393	100.0
178.16721	1.4
180.09358	1.8
186.05545	1.4
195.02943	2.0
195.06516	4.5
195.08226	3.6
195.10120	1.8
195.11658	4.1
195.13889	1.8
195.15790	1.9
195.17445	25.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.138
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
51.56895	0.6
53.03942	2.1
55.01859	0.7
55.05503	3.0
56.15454	0.5
56.74620	0.6
57.07074	1.5
59.80266	0.7
65.03952	0.8
67.05501	6.8
69.07041	4.2
70.53461	1.3
70.53857	1.6
71.04990	1.5
71.95277	1.6
75.48179	0.6
79.05490	20.1
81.03423	0.9
81.07052	10.0
83.04987	1.2
83.08605	0.8
85.02850	0.7
89.03928	2.3
89.06020	3.7
91.05473	10.3
91.06007	0.8
93.07040	91.8
94.07355	1.2
95.04961	3.2
95.08594	5.0
97.06521	1.3
105.07013	3.2
107.04917	2.2
107.08591	85.3
108.08929	1.9
109.02863	1.5
109.06491	1.4
109.10176	3.5
111.08110	0.6
116.00253	0.7
117.03370	2.9
119.06064	0.8
119.08583	1.6
121.06497	1.1
121.10122	2.6
125.06001	0.7
125.09579	0.7
130.98869	0.8
131.08595	0.7
131.96043	0.8
133.02835	1.5
133.08582	1.0
133.10085	0.9
135.04422	2.7
135.11685	100.0
136.12041	1.7
137.09569	1.2
138.06618	0.9
139.03882	0.9
139.07605	0.9
142.83899	0.8
145.02840	5.2
148.97369	0.9
149.05940	1.8
149.09659	0.9
149.13292	1.4
149.97235	2.1
153.12749	5.0
159.11707	1.1
163.03909	21.4
164.04147	0.8
165.06976	1.5
167.07063	0.8
167.08594	1.6
171.98824	0.7
172.98816	1.8
177.05473	8.9
177.06914	1.2
177.12698	1.6
177.16417	2.0
180.09319	1.4
185.07294	0.6
195.02864	3.0
195.06555	0.8
195.08156	3.4
195.10118	1.3
195.11707	2.1
195.13776	7.6
195.15707	2.5
195.17300	0.9
196.16920	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1743
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.1
55.01859	2.8
55.05260	1.3
55.05505	14.4
56.96564	1.2
57.03423	1.1
57.07051	4.4
60.24909	1.2
65.15754	1.0
67.05505	9.5
69.03430	8.6
69.07066	31.5
70.74391	1.0
70.80222	1.0
71.05005	6.6
71.59086	1.4
76.53484	1.1
79.05486	9.9
81.03422	2.6
81.07058	32.2
83.04980	2.6
83.08620	14.4
85.02863	1.3
85.06519	5.8
89.03923	1.1
89.06030	1.0
91.05476	3.9
93.07049	18.0
95.04938	1.1
95.08604	54.5
97.02905	1.2
97.06547	1.6
97.10193	7.9
99.08093	34.2
105.07036	4.0
107.04949	4.3
107.08591	40.1
109.02889	1.8
109.06557	1.1
109.10151	14.5
111.04409	1.8
111.08083	12.5
111.11710	2.9
113.09626	3.9
115.05455	1.1
117.03355	3.3
119.08608	1.9
121.06503	1.2
121.10143	56.4
123.08134	1.9
123.11691	4.7
125.09616	27.9
135.04353	2.3
135.08073	2.0
135.11694	13.5
137.09570	1.0
137.13252	18.1
139.11172	4.6
145.02841	5.2
149.05980	1.6
149.09760	1.1
149.13268	7.0
149.97163	1.1
163.03870	6.2
165.07011	1.7
167.07045	1.1
172.22905	1.1
174.39806	0.9
177.05441	9.3
177.09097	1.1
177.16379	100.0
178.13441	1.0
178.16693	1.6
195.02867	1.6
195.08435	1.3
195.10251	2.3
195.11922	1.3
195.13763	1.2
195.17445	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	195.138
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
53.03937	1.0
55.05506	1.8
56.96549	0.8
57.07061	1.6
64.37746	0.5
67.05493	2.5
69.07063	2.6
69.95364	3.3
71.04958	0.8
71.95255	1.9
79.05495	6.5
81.03416	2.1
81.07058	4.4
83.04951	0.7
83.08596	1.0
89.03904	1.7
89.06048	3.3
91.05482	7.3
93.07043	48.7
94.07336	0.8
95.04448	0.6
95.04969	3.8
95.08608	6.3
97.06522	0.9
98.20834	1.0
100.02473	0.7
103.05446	0.8
105.03362	1.3
105.07044	3.4
106.04227	0.7
107.04920	2.0
107.08594	45.9
109.02867	0.9
109.06505	1.3
109.10152	15.2
117.03384	2.2
117.07071	0.7
118.03504	1.1
119.08578	3.0
121.06529	0.8
121.10150	1.6
123.80861	0.6
125.06006	0.8
131.96159	0.8
131.97400	0.6
133.02831	2.2
133.08601	0.9
133.10173	0.7
134.03584	0.8
135.04442	3.3
135.11691	100.0
136.12003	1.6
137.09598	1.0
138.06642	0.7
139.07530	0.7
145.02840	5.5
148.97299	1.0
149.05963	2.6
149.09607	1.1
149.13266	1.2
149.97211	2.2
153.12747	30.8
157.24770	0.6
163.02534	1.3
163.03902	25.6
164.04263	0.7
165.06982	1.0
167.08560	0.8
171.99007	0.7
172.98833	1.5
177.01982	0.6
177.05472	9.1
177.06911	1.0
177.08975	1.1
177.12735	1.2
177.16377	0.8
180.09276	1.1
195.02832	2.6
195.06506	1.1
195.08313	3.4
195.10181	1.1
195.11746	2.2
195.13814	14.7
195.15721	3.0
195.17450	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.138
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
53.03939	1.4
55.01858	3.6
55.05512	8.2
56.96560	1.6
57.03437	1.2
57.07062	2.8
58.43517	0.9
61.17038	0.8
65.03925	1.9
65.09922	0.7
67.05170	1.3
67.05502	18.9
68.96326	1.2
69.03416	2.7
69.07067	9.6
71.01376	0.9
71.04651	0.8
71.04995	10.5
71.58846	1.4
78.04688	0.7
79.05492	28.5
81.03416	10.7
81.07058	35.0
83.04981	5.3
83.06074	1.0
83.08629	3.6
84.08116	0.7
85.02905	2.3
85.06546	5.6
89.03913	16.3
89.06009	1.7
91.05482	16.7
93.07045	45.0
94.06590	1.0
95.04980	8.3
95.08609	25.1
97.06516	9.4
98.97578	2.3
99.04421	1.1
99.08076	1.8
103.05456	3.5
105.04537	1.2
105.07030	5.3
106.04168	0.9
107.04955	9.9
107.08597	23.6
109.02879	6.9
109.06513	4.2
109.10143	5.1
109.98939	1.2
110.07190	1.0
111.04430	2.2
111.08076	5.5
113.05994	1.2
116.98624	2.4
117.03383	32.6
117.07024	4.8
119.08566	3.0
121.06509	6.2
121.10146	9.6
123.08118	1.0
123.11705	0.9
124.05196	1.4
125.05984	3.2
125.09606	1.3
127.03893	1.1
128.43340	0.8
130.96230	1.0
131.04892	1.7
131.08563	7.6
133.10120	7.6
134.03627	5.2
134.99657	1.7
135.04440	10.6
135.08069	7.4
135.11691	51.7
136.08688	1.1
136.12019	1.6
137.09621	3.1
138.06604	1.1
139.04971	1.3
139.07542	7.3
139.11172	4.3
145.02843	67.5
146.03186	3.5
148.97342	2.6
149.05991	18.5
149.09587	3.2
149.13252	9.1
149.97275	0.9
151.11189	4.6
153.01721	1.1
153.05484	2.5
153.09103	1.4
153.12752	7.2
153.97864	1.3
154.06230	0.7
158.99648	1.1
159.11687	10.2
162.03087	2.0
163.03911	16.4
163.07637	2.0
165.06923	1.2
167.07051	1.4
171.98918	2.8
177.05470	100.0
177.08971	2.1
177.12727	20.5
177.14241	1.5
177.16307	1.7
178.05809	3.0
178.12250	2.3
180.09241	1.2
186.05513	1.1
194.76617	0.8
195.02869	3.4
195.06554	4.8
195.08618	2.5
195.10152	3.1
195.12038	1.5
195.13806	25.4
195.15529	1.4
196.09662	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1379
Annotation	trans-Chrysanthenyl acetate
Peak:m/z	Relative Intensity
53.03934	2.9
55.01873	1.4
55.05507	2.7
56.96546	2.2
57.03416	1.8
57.07074	5.3
57.27687	0.8
59.04979	1.3
63.36459	0.8
65.00666	0.7
65.03925	1.3
65.61354	0.8
67.05507	5.2
68.96320	1.6
69.03432	1.6
69.07069	7.6
69.94551	3.7
70.75824	0.8
71.01355	0.9
71.04978	2.0
71.95252	2.7
72.93781	2.2
73.79260	1.0
76.58118	0.8
77.03905	0.9
79.05489	12.2
81.03411	4.5
81.07063	8.9
83.04970	3.7
83.08615	1.9
84.08132	1.2
85.02903	1.1
85.06535	1.6
88.37394	0.7
89.03891	3.4
89.06026	5.2
91.05470	12.8
93.07042	96.3
94.04155	1.0
94.07372	1.3
95.04972	5.9
95.08617	7.8
97.06548	2.6
99.08057	1.0
100.02487	1.8
101.96141	0.8
103.05453	1.9
105.04547	1.0
105.07029	3.9
107.04951	15.1
107.08595	30.9
109.02840	3.2
109.06514	5.3
109.10153	81.7
109.98943	0.9
110.07219	0.7
110.10478	1.8
111.04433	1.6
111.08072	2.0
113.96411	2.2
117.03386	5.1
117.07001	1.9
117.28886	0.9
118.03558	1.6
119.08580	3.1
121.02842	2.0
121.06516	2.8
121.10159	3.6
123.08045	1.9
125.05946	0.8
125.13238	1.0
127.99948	1.5
130.96281	1.8
131.08575	2.5
131.97411	2.6
133.02841	8.2
133.06461	4.4
133.10178	1.0
134.03574	1.0
135.04416	15.1
135.08086	2.2
135.11687	50.7
136.04893	1.1
136.08607	0.8
136.12061	1.3
137.06018	1.9
137.09685	1.5
137.26311	0.7
137.31308	0.8
138.06627	1.8
139.03835	1.2
139.07512	1.2
143.70937	0.8
145.02841	13.0
147.56631	0.9
148.97336	5.3
149.01233	1.4
149.02310	0.9
149.05984	4.5
149.09610	2.9
149.13278	2.3
149.97198	3.2
153.05496	4.3
153.12743	93.5
153.97870	2.6
154.06221	1.7
154.13095	2.1
159.08064	1.6
159.11646	2.2
163.03902	100.0
164.04240	2.6
165.05557	1.2
165.07002	3.0
166.98439	0.8
167.07088	2.1
167.08566	1.4
171.13789	0.8
171.98967	3.8
172.98816	2.4
177.03964	1.0
177.05472	20.5
177.09096	3.5
177.12662	2.4
177.16418	2.4
180.09335	2.2
194.15419	2.9
195.01164	0.9
195.02844	4.4
195.06534	4.7
195.08588	4.4
195.10162	1.9
195.11760	4.6
195.13814	37.4
195.15689	4.7
196.16948	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	195.1379
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
51.54804	1.3
52.69753	1.2
53.03944	3.7
55.01860	3.7
55.05513	15.8
56.96539	1.5
57.03453	6.1
57.07069	3.6
60.44770	1.1
60.72950	1.2
67.05505	62.4
69.03416	2.1
69.07069	18.7
69.96080	6.5
71.01353	3.0
71.04991	6.4
71.52280	1.2
71.95258	3.7
73.02892	1.2
79.05060	2.5
79.05493	36.7
81.03417	8.8
81.07057	100.0
83.04973	14.5
83.08616	12.5
85.06547	5.1
85.10220	1.2
89.03909	1.9
89.06037	3.4
91.05480	25.9
93.07043	68.3
95.04979	6.9
95.08607	37.9
96.08937	2.8
97.06530	13.8
97.10128	1.6
98.21424	2.0
99.04472	1.6
99.08094	4.6
102.58115	1.3
103.05502	1.3
104.54917	1.7
105.07021	10.0
107.04975	6.2
107.08591	35.9
108.18676	1.3
109.02869	1.6
109.06499	4.2
109.10166	4.3
110.10486	1.2
111.08078	5.8
113.09660	1.5
117.03380	5.1
117.07007	9.8
119.08568	2.4
121.06502	4.8
121.10153	12.9
123.08037	1.7
123.11725	1.7
125.09582	1.7
127.03222	1.3
127.07537	1.2
130.96265	1.5
131.08556	11.8
131.97443	1.7
132.04388	1.6
133.02879	2.2
133.06499	1.8
133.08626	1.2
133.10143	13.9
135.04407	4.6
135.08061	5.5
135.10677	2.4
135.11697	39.2
136.12065	1.8
137.05998	1.4
138.06583	2.1
139.11130	1.6
139.64645	1.3
144.77733	1.2
145.02831	8.8
148.97350	3.5
149.05951	3.4
149.09669	2.8
149.13252	23.8
149.97220	3.3
153.12675	3.5
153.97925	2.1
159.11693	18.6
163.03909	41.8
164.04210	1.4
165.07018	1.6
171.98917	3.2
177.05479	18.9
177.09097	1.4
177.12752	16.8
177.14352	2.3
178.13065	1.5
180.09294	1.8
195.00726	1.7
195.02873	3.6
195.06531	1.5
195.08589	3.6
195.10147	1.5
195.11914	2.8
195.13811	19.6
195.15744	28.6
196.16989	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1379
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
53.03937	1.9
55.01863	1.6
55.05505	6.1
56.96554	1.3
57.03421	1.8
57.07060	1.4
58.06634	0.6
59.04982	0.7
65.03930	0.9
67.05503	20.1
69.07066	6.5
70.23146	3.3
71.04983	2.8
71.69004	0.7
71.95263	1.3
72.93807	0.8
77.82713	0.6
79.05491	27.2
81.03420	3.7
81.07052	29.6
83.04964	3.6
83.08601	3.4
84.08131	1.3
85.06546	1.9
87.28410	0.8
89.03917	2.1
89.06023	2.3
91.05473	14.1
93.07040	85.1
93.38951	0.8
94.07366	1.3
95.04962	5.1
95.08607	10.2
96.08925	0.8
97.06520	3.6
100.02470	1.1
105.07015	4.9
107.04963	4.6
107.08591	87.3
108.08910	1.7
109.02897	1.0
109.06519	2.9
109.10157	3.4
111.08073	2.3
113.96429	1.0
117.03368	3.7
117.07013	2.2
118.03522	0.9
119.06060	0.9
119.08571	1.4
120.93877	0.6
121.06523	1.1
121.10138	4.3
125.05980	0.8
131.08569	3.3
133.02843	2.1
133.06470	0.7
133.10121	2.9
134.03581	0.8
135.04457	5.0
135.08080	1.7
135.11688	100.0
136.11998	1.9
137.09607	1.2
138.06650	0.9
139.03886	0.9
139.07513	0.7
145.02846	6.1
148.97354	3.4
149.01212	0.8
149.06027	0.9
149.09587	1.3
149.13280	5.8
149.97165	2.1
151.11256	1.0
153.12726	4.6
154.06293	1.0
154.97716	0.8
159.11665	4.9
161.59419	0.7
163.03902	29.7
164.04218	1.6
165.06941	1.7
167.08606	0.8
171.98955	1.4
172.98840	1.1
177.05469	7.5
177.09064	1.3
177.12794	3.2
177.14781	0.9
177.16330	1.5
180.09294	0.9
182.99846	0.6
185.19012	0.8
190.00406	0.7
195.02879	2.3
195.06511	1.8
195.08574	2.0
195.10167	1.4
195.11717	2.1
195.13805	9.5
195.15738	5.6
196.16971	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	195.1016
Annotation	gamma-Methoxyisoeugenol
Peak:m/z	Relative Intensity
51.02387	0.4
51.82063	0.4
53.03933	0.9
55.01849	1.0
55.05479	0.5
57.18231	0.4
57.71602	0.4
60.83632	0.4
64.70955	0.4
65.03930	3.2
67.05480	1.1
69.07071	0.8
69.66737	2.4
71.04977	0.4
71.95265	0.4
77.03886	0.4
79.05064	0.5
79.05492	5.3
81.03423	1.3
81.07043	1.5
83.08578	0.4
89.03901	1.3
89.06031	1.3
91.05481	4.0
93.03391	4.6
93.07043	1.9
95.04967	2.1
95.08593	1.4
98.20746	0.7
103.05466	21.8
105.03386	0.4
105.07027	8.1
106.04140	0.8
107.04954	31.8
107.08563	2.2
109.02872	1.7
109.06518	0.6
109.10161	0.6
111.04432	4.0
115.05437	2.6
115.33632	0.4
117.03415	2.4
117.07024	1.5
120.05760	2.0
121.06504	1.5
121.10138	1.7
123.08102	0.6
124.05174	2.3
125.05994	1.0
125.09633	0.6
131.04929	4.7
131.08513	0.5
133.02846	2.0
133.06480	1.1
134.03590	0.4
135.04405	2.7
135.08055	16.8
135.11676	0.4
136.08421	0.4
137.06021	0.7
137.09587	0.4
139.03897	22.5
145.02869	4.3
145.06468	0.4
145.07625	0.8
147.04369	0.6
148.05237	1.0
148.97380	0.5
149.05974	2.1
149.09445	0.4
149.13249	0.7
154.06245	100.0
155.06589	1.6
163.03923	5.7
163.07539	35.3
164.07896	0.6
165.05453	1.7
165.06897	0.8
167.07042	5.3
167.08429	0.6
177.05464	8.4
177.09076	0.7
177.12769	0.4
177.16382	1.5
180.07803	1.2
180.09319	0.5
190.76334	0.5
195.02928	0.7
195.06496	1.4
195.08650	0.7
195.10187	11.7
195.11604	0.6
195.13855	0.5
195.17404	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.138
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
52.24958	0.9
53.03938	4.1
53.12085	0.8
55.01855	3.7
55.05514	18.6
55.92546	0.9
56.96546	1.5
57.03437	5.7
57.07063	3.4
65.03931	3.2
67.05504	71.1
68.96336	1.1
69.03405	2.4
69.07066	20.8
69.84378	1.6
69.84777	5.9
71.01352	2.0
71.04987	8.3
71.95261	1.5
72.74100	0.9
72.93779	1.9
73.02882	1.0
73.06515	0.9
79.05494	47.2
81.02976	1.5
81.03420	14.8
81.07057	100.0
82.07351	1.1
83.04981	9.7
83.08619	12.4
85.02905	1.2
85.06536	3.8
88.84293	0.9
89.03922	4.6
89.06033	4.0
91.04894	1.4
91.05477	36.5
93.07044	86.6
94.07371	1.3
95.04965	12.1
95.08606	32.2
97.06523	10.9
97.10162	1.7
99.08087	2.1
99.94736	1.0
103.05469	2.4
104.13528	0.9
105.03403	1.1
105.04536	1.7
105.07022	13.5
106.18361	0.8
107.04953	11.0
107.08595	48.7
109.02898	2.3
109.06522	5.0
109.10166	9.4
111.04424	2.5
111.08087	7.1
113.09602	1.3
116.98582	1.9
117.03385	8.3
117.07009	12.0
118.03593	0.9
119.08530	2.3
121.06496	6.0
121.10147	14.3
123.08047	2.8
123.11690	3.8
130.96289	1.2
131.08586	13.7
131.97427	2.7
133.02882	5.4
133.06493	18.5
133.08591	1.5
133.10136	23.0
134.99681	2.2
135.04407	9.8
135.08060	4.5
135.11693	51.2
137.05971	2.4
137.09575	1.0
138.06601	2.3
139.11153	1.0
145.02853	15.8
145.03961	1.3
148.97377	4.0
149.01183	1.3
149.06023	4.6
149.09604	4.3
149.13264	20.0
149.97176	2.7
151.11159	3.3
153.00711	1.2
153.09100	1.3
153.12761	7.5
153.97899	1.2
159.10443	1.6
159.11696	19.0
163.03906	74.2
164.04285	2.7
165.07011	2.4
167.07092	1.7
167.08533	1.8
171.98936	3.8
172.98715	1.2
177.03865	1.4
177.05461	24.4
177.09065	2.0
177.12761	14.5
177.16310	2.8
180.09355	2.3
186.05505	1.2
195.02863	4.3
195.06493	2.7
195.08658	3.2
195.11763	4.0
195.13788	23.9
195.15584	1.8
196.16957	3.7
197.61325	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1015
Annotation	gamma-Methoxyisoeugenol
Peak:m/z	Relative Intensity
53.00280	1.1
53.03938	2.1
55.01860	2.5
55.05488	2.1
56.96543	1.5
57.03424	1.7
65.03929	1.9
67.05496	1.6
68.96329	1.2
69.03404	1.3
69.07058	1.8
71.04990	2.4
71.58676	1.6
78.04679	1.0
79.05486	17.4
81.03413	6.6
81.07040	3.8
83.04942	1.9
85.02886	2.4
89.03909	6.8
89.06009	2.4
91.05483	11.1
93.07039	5.5
95.04955	8.9
95.08598	3.1
98.97589	1.1
99.04432	1.6
103.05457	11.9
103.62653	0.8
105.06380	1.2
105.07030	13.3
106.04166	1.2
107.04951	100.0
107.08589	5.2
109.02908	5.4
109.06512	2.1
109.10147	1.5
109.98998	0.8
111.04416	2.8
111.08111	2.5
113.07130	0.9
115.05453	9.5
116.98640	0.9
117.03368	12.5
117.07012	4.7
119.04919	1.0
120.05711	2.8
121.02892	1.5
121.06487	2.5
121.10138	2.5
123.04431	3.2
123.15508	1.0
124.05191	3.2
125.05981	3.8
126.06653	0.8
127.03906	1.1
130.96297	1.3
131.04944	1.8
131.08603	1.6
133.02818	2.1
133.10165	1.3
134.03618	1.7
135.04411	5.5
135.08054	29.9
135.11723	2.4
136.05148	1.3
136.08661	1.0
137.05983	2.7
137.09624	3.2
138.06554	1.4
139.03870	3.0
139.07509	3.6
145.02846	21.2
145.06522	1.1
145.07542	1.6
147.04416	2.4
148.97333	3.7
149.05975	9.6
149.09602	1.9
151.03853	1.7
151.07590	0.9
152.04691	1.5
153.05478	2.7
153.97899	2.1
154.06209	8.4
159.11674	1.7
160.91379	0.8
163.03918	9.2
163.07550	36.8
165.05495	2.7
165.06987	1.9
167.03329	1.2
167.07030	37.1
171.99036	2.2
177.05463	30.8
177.09006	1.6
177.12727	2.7
177.16438	1.1
180.07863	7.2
180.09290	1.4
186.05524	0.9
195.02937	7.6
195.06497	4.0
195.08353	3.5
195.10164	50.4
195.11688	2.6
195.13837	4.2
195.15634	1.9
196.17014	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1016
Annotation	gamma-Methoxyisoeugenol
Peak:m/z	Relative Intensity
53.03939	0.8
55.01856	1.6
55.05497	1.3
57.03439	0.7
57.07077	0.8
58.73280	0.4
62.44009	0.3
65.03925	3.3
67.05489	1.1
69.07072	2.2
69.74616	0.9
69.75030	2.1
71.04973	0.4
77.03907	0.5
78.82117	0.4
79.05488	4.4
81.03400	1.0
81.07055	3.7
82.23254	0.4
83.04950	0.7
83.08612	1.4
85.02899	0.6
85.06535	0.6
89.03912	1.0
89.06036	0.4
91.05476	3.9
92.06237	0.5
93.03403	4.1
93.07059	3.1
95.04975	1.8
95.08589	5.7
97.10175	0.7
99.08102	1.9
103.05463	22.0
105.07027	8.3
105.07687	0.9
107.04951	28.1
107.08594	4.9
109.02859	1.4
109.06503	0.8
109.10157	1.1
111.04436	4.3
111.08060	1.3
113.09631	0.9
115.05450	3.1
117.03345	2.2
117.06994	1.5
119.04910	0.6
120.05732	1.9
121.06533	1.9
121.10131	6.4
124.05219	1.8
125.06004	0.9
125.09635	1.1
131.04916	4.5
132.05746	0.5
133.02844	0.9
133.06491	0.7
135.04402	1.8
135.08051	17.9
135.11714	1.5
136.08363	0.5
137.05952	0.5
137.13237	1.4
139.03894	24.8
145.02831	3.8
145.06467	0.6
145.07571	0.8
147.04408	0.5
147.08066	0.5
148.05188	0.6
149.05945	1.2
149.09587	0.8
154.06242	100.0
155.06548	0.8
161.05934	0.4
162.76549	0.5
163.03918	3.1
163.07536	37.0
164.07910	0.6
165.05508	0.7
165.06865	0.6
167.07042	4.1
167.08449	0.5
171.98965	0.5
177.05475	4.7
177.16376	12.1
180.07813	0.9
195.02855	0.8
195.06541	1.1
195.08710	0.6
195.10184	10.3
195.11824	0.9
195.15707	0.5
195.17442	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1016
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	0.7
51.76057	0.3
52.83464	0.3
53.00303	0.6
53.03933	1.3
55.01865	3.0
55.05513	4.5
56.96560	0.7
57.07067	0.9
63.95536	0.4
65.03937	4.7
67.05502	3.1
68.96330	0.4
68.99783	0.6
69.03426	1.7
69.07068	7.3
69.63098	2.0
69.63506	0.9
70.52370	0.4
71.01337	0.5
71.04986	1.9
78.04720	0.5
79.05058	0.6
79.05494	9.3
81.03417	3.9
81.07052	9.7
83.04964	1.8
83.08607	3.2
85.02895	0.8
85.06545	2.0
87.04501	0.4
89.03926	2.8
89.04396	0.4
89.06013	1.8
91.05475	6.8
92.06287	0.4
93.03395	5.2
93.07044	6.2
95.04961	3.9
95.08596	11.1
97.06500	0.6
97.10172	2.5
98.20834	0.8
99.08093	9.4
103.05466	23.2
104.05740	0.6
105.03404	0.5
105.04538	0.4
105.07023	11.4
106.04163	0.9
107.04951	32.9
107.08593	9.6
108.05284	0.6
109.02865	3.4
109.06522	0.6
109.10151	3.4
111.04444	5.8
111.08090	5.7
111.10783	0.4
111.11684	0.5
113.09622	1.1
113.19725	0.4
115.05426	2.4
116.44838	0.4
117.03378	6.2
117.07021	2.0
119.04845	0.4
119.08552	1.0
120.05735	2.9
120.06514	0.5
121.02881	0.6
121.06522	3.2
121.10138	12.7
123.11703	0.5
124.05209	2.1
125.05978	1.1
125.09621	2.7
125.16906	0.4
131.04918	4.4
131.08578	1.1
133.02846	1.7
133.06511	0.8
133.10107	0.8
134.03633	1.1
135.04396	5.0
135.08049	18.4
135.11678	4.3
137.05948	1.1
137.09669	0.7
137.13251	3.5
138.06604	1.0
139.03896	28.3
139.07521	0.8
139.11171	1.3
145.02837	12.3
145.03989	0.6
145.06500	0.7
145.07536	0.9
148.05154	0.8
148.97354	1.3
149.05988	4.2
149.09610	0.9
149.13234	1.5
149.97231	1.0
150.03043	0.5
152.06224	0.7
153.05470	1.1
153.08995	0.6
153.97868	0.6
154.06244	100.0
155.06630	1.0
159.11758	0.6
163.03909	10.4
163.07538	36.5
164.07881	0.7
165.05516	1.1
165.06993	1.4
167.07034	5.2
167.08417	0.8
171.98927	1.2
172.98877	0.5
177.05464	17.7
177.09081	1.3
177.12827	0.5
177.16382	17.4
180.07803	1.7
180.09267	0.8
186.05518	1.2
195.01329	0.5
195.02936	2.1
195.04814	0.5
195.06619	3.2
195.08463	1.5
195.10165	10.1
195.11713	1.7
195.13835	1.2
195.15773	0.9
195.17397	4.5
196.05496	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1016
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78378	0.5
52.88451	0.5
53.03939	0.8
55.00483	0.5
55.01857	1.8
55.05504	2.4
57.03433	0.6
62.57688	0.5
65.03935	4.6
67.05496	1.3
69.03410	1.0
69.07072	4.2
69.94743	2.9
71.04983	1.5
79.05488	7.6
81.03422	2.3
81.07049	5.9
83.01079	0.5
83.04972	0.6
83.08607	1.7
83.17390	0.5
85.06527	0.6
89.03924	4.1
89.06011	1.2
91.05473	4.1
93.03404	5.9
93.07039	4.8
93.85329	0.6
94.04186	0.5
95.04981	3.7
95.08600	9.0
97.06548	0.6
97.10165	1.0
99.08101	3.8
103.05463	22.5
105.07019	9.8
107.04948	32.1
107.08591	7.1
109.02884	1.9
109.06506	1.2
109.10136	2.2
111.04440	4.9
111.08083	1.5
113.09632	1.3
115.05460	3.1
117.03371	6.4
117.07005	1.6
119.04948	0.7
119.08594	0.6
120.05696	2.0
121.06485	2.4
121.10135	8.9
123.04432	0.6
124.05201	1.9
125.06003	1.8
125.09644	1.3
131.04915	3.9
133.02884	1.0
133.06410	0.7
133.43481	0.6
134.03606	1.1
134.68605	0.5
135.04387	3.8
135.08049	16.5
135.11674	2.6
137.05933	0.7
137.13252	1.6
139.03894	23.7
145.02846	13.5
145.03981	1.0
145.06526	1.1
148.05232	0.8
149.05989	4.2
149.09579	1.2
149.13316	1.2
151.07559	0.7
152.04721	0.6
153.05475	0.8
154.06245	100.0
155.06598	0.9
163.03909	7.6
163.07545	34.0
164.07953	1.1
165.05539	1.3
165.06993	0.9
167.07048	4.7
167.08321	0.9
171.98943	0.7
176.16823	0.5
177.05467	19.7
177.16379	17.6
180.07832	0.6
186.05597	0.6
195.06485	2.1
195.08427	0.9
195.10176	10.5
195.11668	0.8
195.13832	0.8
195.15825	0.5
195.17458	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	195.0651
Annotation	2,4,8-Trihydroxy-1-tetralone
Peak:m/z	Relative Intensity
52.36155	0.4
52.58865	0.4
55.68136	0.3
63.02373	0.4
70.86132	1.1
78.04699	0.8
79.05492	0.9
81.03408	0.5
81.07041	0.7
89.03915	17.9
89.06036	0.4
91.05472	2.0
93.07031	0.7
95.04968	0.7
95.08634	0.5
101.04840	0.3
103.05467	1.2
106.04173	1.3
107.04932	1.0
111.04414	0.5
117.03375	36.2
121.06493	1.2
124.05178	0.7
125.05995	0.5
134.03622	6.4
135.04427	6.8
145.02838	64.9
146.03146	0.4
149.05971	17.4
153.05453	0.4
158.06017	1.0
162.03116	1.0
163.03894	11.7
165.06885	0.6
177.05463	100.0
178.05794	1.4
186.05475	6.0
195.02933	0.7
195.06485	1.2
195.08119	1.4
195.11546	0.6
195.15724	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0863
Annotation	Methyl D-galactoside
Peak:m/z	Relative Intensity
53.03934	5.0
57.03416	7.7
65.28371	2.9
65.52750	2.3
69.03420	7.4
69.79501	11.2
69.79922	6.9
71.04990	15.5
73.02901	8.7
81.03414	100.0
85.02888	10.7
91.26008	2.4
93.15490	2.4
97.02870	4.3
99.04458	5.7
101.00922	2.4
109.02875	66.7
119.01915	5.8
124.08781	2.5
127.03918	8.5
129.02899	3.0
131.01894	8.3
161.02959	3.7
173.02925	8.3
177.89609	2.5
185.02951	5.5
195.31607	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0651
Annotation	2,4,8-Trihydroxy-1-tetralone
Peak:m/z	Relative Intensity
53.03943	1.1
54.75543	0.5
55.01876	0.8
55.05503	2.0
56.96571	1.8
57.03439	0.8
65.03930	0.9
67.05505	1.9
69.03428	1.1
69.07079	1.8
69.88478	3.8
71.04997	1.8
79.05488	8.0
81.03419	6.7
81.07059	10.8
82.89756	0.5
83.04984	1.0
83.08597	0.7
85.02911	1.5
89.03918	15.5
89.06046	1.3
91.05476	6.1
93.07043	10.6
94.07400	0.6
95.04958	3.4
95.08607	2.1
95.14786	0.6
97.06525	0.9
98.97575	10.1
99.04436	0.9
103.05454	1.1
105.07043	2.4
106.04152	1.3
107.04966	4.9
107.08584	7.6
108.05619	0.6
109.02883	4.6
109.06512	5.8
109.10150	2.0
111.04453	1.7
111.08054	1.1
116.98627	7.3
117.03380	35.5
119.08585	1.4
121.06517	1.8
121.10144	1.7
123.08039	1.0
124.05176	0.8
124.36432	0.6
125.05974	1.3
131.08551	1.0
131.97415	0.7
133.02872	0.9
134.03644	6.1
134.99641	3.6
135.04407	9.7
135.08051	1.4
135.11679	3.9
136.04973	0.5
137.09615	2.2
138.06665	0.6
139.07446	0.9
145.02844	74.1
148.97346	2.1
149.05981	18.5
149.09653	1.3
149.13298	1.0
153.05484	3.4
153.08997	0.9
158.99634	3.7
159.11702	1.7
162.03143	1.7
163.03902	13.2
163.07565	0.7
165.06937	1.7
167.07072	0.8
171.98950	1.0
177.00697	7.8
177.05464	100.0
177.12764	1.5
177.16359	0.9
178.01051	0.5
178.05803	0.8
180.09325	0.9
186.05554	2.4
186.07199	0.7
195.02933	1.8
195.06393	3.1
195.08041	1.7
195.10234	2.8
195.11784	1.9
195.13589	2.8
195.15334	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0652
Annotation	2,4,8-Trihydroxy-1-tetralone
Peak:m/z	Relative Intensity
53.03946	0.9
55.01867	1.3
55.05502	3.4
57.07061	1.2
59.44243	0.7
67.05489	2.8
69.03425	9.9
69.07065	8.4
71.04969	2.1
76.29966	0.6
78.04723	0.7
79.05497	4.9
81.03411	3.8
81.07052	12.8
83.04976	1.3
83.08615	3.2
85.02874	0.9
85.06536	1.3
89.03913	18.1
89.06032	1.8
91.05475	3.2
93.07050	8.4
95.04968	1.7
95.08044	1.4
95.08608	15.2
97.06545	0.9
97.10143	2.4
99.08078	9.6
103.05448	3.9
103.86140	0.8
104.90732	0.7
105.07027	3.1
106.04153	0.9
107.04939	7.8
107.08587	12.9
109.02892	1.4
109.06518	0.8
109.10191	3.9
109.98961	0.8
111.04461	1.0
111.08094	1.2
111.11710	1.4
112.74608	0.6
117.03377	39.3
119.04880	1.0
119.08587	0.8
121.06496	1.6
121.09312	1.4
121.10139	17.0
123.11707	1.2
125.05949	0.7
125.09621	28.2
131.04941	1.0
133.02818	1.1
133.06465	0.8
134.03656	6.7
135.04433	10.0
135.08028	2.5
135.11674	6.7
137.09564	0.7
137.13260	6.7
139.03886	2.3
145.02844	75.3
148.97321	0.9
149.02287	0.9
149.05974	21.3
149.07118	1.6
149.09612	0.9
149.13216	1.8
153.05420	1.1
154.06215	8.6
162.03185	1.2
163.03909	14.6
163.06299	0.9
163.07562	3.1
165.05461	1.1
165.06889	0.7
167.07059	2.0
167.08583	0.9
171.99033	0.7
175.62642	0.8
177.05467	100.0
177.16388	26.7
178.05777	1.2
180.09398	0.9
186.05492	2.6
195.02914	2.7
195.06631	3.7
195.08150	1.1
195.10187	1.7
195.11749	2.0
195.13811	1.3
195.15822	1.3
195.17429	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	194.154
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00719	0.3
55.05504	0.8
56.05028	0.4
57.03424	0.4
58.06595	2.4
66.27827	0.3
67.05497	3.0
69.03428	0.4
69.07043	0.6
69.47278	2.1
70.06591	2.9
71.95259	0.3
76.87060	0.3
79.05470	1.0
81.07063	1.7
82.06565	0.5
84.08143	0.4
86.06049	0.5
91.05460	1.1
93.07047	3.6
94.06543	1.4
95.04982	0.5
95.08598	2.2
96.08137	0.6
97.06512	0.8
98.09653	0.4
105.07023	0.5
107.08586	4.7
108.08126	0.6
109.10155	12.7
111.08096	0.4
111.44627	0.3
117.07013	0.4
119.08570	1.3
121.10151	0.8
133.02806	0.3
133.10127	0.4
135.08080	0.7
135.10547	0.6
135.11679	7.7
136.11177	1.0
137.09612	4.5
145.02856	0.8
148.97417	0.4
149.05972	0.5
149.13235	0.8
151.07523	0.5
152.14340	1.6
153.12755	1.4
159.11668	1.8
163.03888	2.4
167.80545	0.3
176.03397	0.4
176.14348	8.4
177.05463	0.8
177.12738	1.2
194.05319	0.6
194.08234	1.6
194.15401	100.0
195.08307	0.3
195.15706	2.4
203.77562	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	194.154
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05475	0.4
58.06369	0.2
58.06591	2.4
59.06213	0.3
63.00280	0.3
67.05490	1.7
68.05011	0.8
70.05723	0.3
70.06595	1.8
79.05483	0.5
81.07047	0.8
82.06573	1.4
84.04500	2.2
84.08102	0.4
90.33622	0.3
91.05482	0.5
93.07063	1.6
94.06540	0.8
95.08601	8.4
96.08117	0.4
96.60780	0.3
96.74594	0.3
98.09731	0.3
98.21455	0.6
100.07617	0.4
101.35062	0.3
102.45194	0.3
105.07008	0.4
107.08608	2.0
108.08120	0.6
109.09460	0.6
109.10161	9.4
109.10915	0.5
119.08556	1.1
121.08892	0.3
133.10207	0.5
135.11674	3.9
136.11200	0.7
137.07703	0.3
137.09622	4.5
149.13307	0.4
150.12993	0.3
151.07469	0.3
152.14314	0.6
159.11664	1.3
163.03868	0.6
164.89046	0.3
173.87727	0.3
176.14351	7.5
177.05449	0.3
177.12810	0.6
194.15399	100.0
195.15785	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	194.154
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86832	0.2
52.98940	0.3
57.07067	0.2
58.06599	2.7
58.98669	0.2
66.00826	0.3
67.05505	1.6
68.05016	0.9
70.06567	0.2
71.60593	0.4
79.05507	0.5
81.07045	0.9
82.06579	1.8
82.43317	0.2
83.04996	0.4
84.04048	0.4
84.04509	4.6
84.08138	0.3
90.94370	0.3
91.05489	0.6
93.07056	2.0
95.04972	0.5
95.08610	16.0
97.06480	0.3
100.07613	0.7
105.07044	0.3
106.07296	0.3
107.04999	0.3
107.08623	1.4
109.10162	5.5
117.03367	0.3
117.06979	0.5
119.08586	2.2
125.94566	0.3
131.08585	0.3
133.10153	0.5
134.10492	0.3
135.04413	0.5
135.11682	1.3
137.08591	0.2
137.09604	4.4
145.02850	0.6
148.12115	0.3
149.05952	0.3
151.07521	0.7
151.11201	0.5
152.62856	0.2
153.05594	0.2
159.11794	1.2
162.06186	0.4
163.03903	1.9
176.03375	0.3
176.14351	6.6
177.05478	0.8
177.12880	0.3
194.08156	1.0
194.15410	100.0
195.02948	0.3
195.08380	0.3
195.15689	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	194.154
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.7
55.01882	0.3
55.05503	1.1
57.07065	0.7
58.06598	5.2
59.04984	1.1
60.04522	5.7
67.05504	4.9
68.05007	0.6
69.07065	0.6
69.80614	0.4
70.19998	1.6
71.04990	0.4
71.37452	0.3
72.23953	0.3
74.62903	0.3
79.05495	2.5
81.03388	0.4
81.07053	1.9
82.06576	2.0
83.04996	0.9
84.04503	2.6
84.08108	0.5
85.06590	0.5
91.05482	2.8
93.06470	0.7
93.07040	11.0
94.06559	3.3
94.98729	0.4
95.04960	1.3
95.08605	31.6
96.08117	1.7
96.08900	0.6
97.06519	1.5
98.21439	0.5
100.07621	3.2
103.05472	0.5
105.06989	1.3
107.04939	1.2
107.08599	10.9
108.08102	1.6
109.06488	0.8
109.10149	6.1
110.09670	1.3
111.08141	0.4
117.03381	0.6
117.07005	1.0
119.08584	18.7
121.08877	1.8
122.09679	4.2
124.11219	0.4
129.06996	0.4
130.08047	0.4
131.08559	0.7
132.64194	0.4
133.10097	1.3
134.09613	0.5
135.04404	0.8
135.08052	0.5
135.11697	17.3
136.11211	18.9
137.09619	9.5
137.12004	0.8
138.09099	0.5
144.09305	1.0
145.02826	0.5
148.97304	0.5
151.07564	0.7
152.10649	0.8
152.14323	7.6
153.12746	1.1
159.11691	5.6
162.06409	0.5
163.03926	3.9
166.08681	0.6
171.99133	0.5
176.03461	0.9
176.14343	5.4
177.05460	1.4
177.12761	1.6
194.05313	0.8
194.08231	1.0
194.15402	100.0
195.02902	0.6
195.10187	0.6
195.15714	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	193.1588
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
53.03938	1.5
54.12815	1.2
55.05511	8.9
55.85653	1.1
57.07066	1.5
59.05000	2.4
65.03938	1.3
67.05515	9.2
69.03429	2.7
69.06725	1.9
69.07074	33.9
70.62447	4.1
71.05000	15.7
74.88341	1.0
79.05490	7.2
80.36306	1.2
81.03401	1.7
81.07059	21.8
83.04964	4.1
83.08591	4.0
85.02906	1.2
85.06536	11.0
91.05472	9.9
93.07048	26.9
95.04969	34.3
95.08612	21.7
97.06526	3.4
97.10178	9.7
99.08079	5.2
103.05446	2.7
105.06379	1.9
105.07030	23.4
107.08602	26.8
109.06519	100.0
109.10159	20.3
111.04416	3.1
111.08073	7.6
111.11693	3.2
113.09626	1.3
115.05441	3.5
119.08585	28.2
121.06499	1.1
121.10143	8.3
123.08049	6.5
123.11703	19.0
131.08519	2.4
133.02834	5.3
133.06500	12.7
133.10133	25.4
135.11697	42.5
137.05956	2.5
137.09596	15.9
147.04407	2.4
147.11693	7.4
147.12769	1.1
149.02341	2.1
149.13275	10.9
151.07545	1.8
151.11163	6.0
151.14812	1.8
161.05984	11.1
165.05489	1.8
175.07637	1.8
175.14833	46.0
177.07832	1.3
178.02615	3.7
193.04964	32.6
193.08612	4.6
193.10428	2.6
193.12222	4.6
193.15886	81.6
194.08107	1.4
194.15329	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	193.1588
Annotation	gamma-Ionone
Peak:m/z	Relative Intensity
53.03931	1.0
55.01854	0.8
55.05511	3.3
57.07068	0.8
58.06591	1.0
62.15915	0.7
67.05513	4.8
69.07070	4.7
69.19288	0.7
70.64322	0.6
71.04990	3.9
73.61917	0.7
79.05484	5.3
81.03424	5.9
81.07062	8.4
82.58529	0.7
83.04980	0.8
83.08611	2.1
85.06535	1.6
91.05480	7.2
93.07046	13.3
94.07392	1.1
95.04964	4.1
95.08603	10.0
97.06527	1.0
98.20599	1.2
99.08106	3.4
103.05486	2.7
105.07033	26.8
106.07388	0.8
107.08597	27.3
108.08922	0.8
109.06505	2.6
109.10153	20.6
110.10497	2.8
111.04452	1.0
111.08045	0.9
113.09660	1.5
115.05450	3.7
117.06998	0.9
118.04137	1.2
119.08578	24.2
121.06591	0.7
121.10143	3.5
123.08067	2.0
123.11700	6.1
123.97884	0.7
124.94984	0.7
129.06911	0.9
131.04965	0.9
131.08589	1.1
133.02834	1.5
133.06496	13.4
133.10129	100.0
134.10497	2.2
135.11693	59.3
137.06013	1.3
137.09604	2.5
145.10103	0.9
147.11685	5.3
148.04672	0.7
149.13203	1.0
150.12830	0.7
151.07478	0.7
151.11188	0.9
151.13060	3.8
152.11555	1.6
161.05975	19.7
165.12683	0.8
175.14825	53.5
176.15120	1.3
178.02643	1.3
182.00554	0.7
193.04982	5.0
193.06958	1.2
193.08589	9.4
193.12361	1.0
193.14323	1.0
193.15868	20.7
193.17632	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1587
Annotation	gamma-Ionone
Peak:m/z	Relative Intensity
50.63243	0.7
53.55281	0.7
55.05510	13.1
57.03424	1.0
57.07080	6.0
59.04988	2.2
65.03932	0.8
67.05171	1.4
67.05502	18.5
69.03423	7.0
69.06728	1.1
69.07066	13.9
70.94015	1.8
71.04973	2.4
77.03918	0.8
79.05482	5.3
81.07059	23.3
83.04976	12.3
83.08620	8.4
85.06515	3.7
87.33454	0.7
91.05482	9.0
93.07043	18.4
95.04981	4.0
95.08606	42.7
95.68773	0.8
97.06523	1.8
97.10166	2.1
99.08060	2.1
103.05444	2.5
105.07026	23.5
107.08591	46.9
108.08865	1.2
109.06514	9.2
109.10154	58.8
110.10468	1.3
111.08076	5.8
115.05441	2.6
117.07022	1.6
118.04173	1.1
119.08580	56.5
119.41847	0.7
120.08843	1.0
121.10139	24.1
121.11015	1.5
122.07207	0.9
123.08060	26.0
123.11707	6.6
125.09615	2.5
133.02847	1.8
133.06509	9.0
133.09111	1.7
133.10130	37.1
135.11690	100.0
136.12019	2.6
137.09610	23.1
137.13235	0.9
138.10350	2.7
142.36134	0.8
147.04532	1.1
147.11650	3.7
149.13254	16.1
151.11157	7.7
151.14819	8.6
161.06003	9.5
165.12639	0.8
165.16335	2.7
175.14822	44.5
176.15260	1.3
178.02658	1.1
193.04956	6.9
193.08566	4.2
193.12201	2.3
193.15877	69.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1587
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
54.74947	1.3
55.01857	1.5
55.05507	9.3
57.07059	2.1
58.54145	1.1
59.05003	2.1
67.05502	22.5
69.07060	6.2
71.04987	1.5
71.32674	2.4
79.05489	11.3
81.06724	1.0
81.07053	11.1
83.04957	3.1
83.08591	2.3
85.06543	16.8
91.05473	7.7
93.07046	17.1
95.04955	4.4
95.08606	12.6
99.08092	100.0
103.05431	1.9
104.97791	1.2
105.07030	15.0
107.08596	16.4
109.06508	4.1
109.10153	41.5
115.05450	1.6
119.08578	12.3
121.10129	6.9
122.07220	1.5
123.08081	5.9
123.11694	5.1
133.02739	1.4
133.06508	12.0
133.10136	19.1
135.11691	25.7
137.05940	1.6
137.09612	15.7
138.10403	1.5
147.11752	1.7
149.13268	1.9
151.11137	5.9
151.14815	1.3
161.05960	10.9
164.83429	1.2
165.16344	3.5
175.14857	8.4
193.04962	10.1
193.06624	1.4
193.08522	6.2
193.15880	52.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1587
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	0.7
51.25969	0.5
53.03940	0.9
55.01863	3.5
55.05508	2.7
57.07065	0.7
59.04997	0.9
65.03923	1.0
66.04705	0.6
67.05501	5.2
69.03425	1.0
69.07075	1.7
70.91404	1.3
77.03916	0.6
79.05491	12.2
80.05811	0.7
81.07059	3.5
83.04990	0.9
84.68837	0.6
85.06534	4.0
85.59672	0.6
89.03945	0.4
89.14967	0.5
90.04714	1.3
91.05472	5.8
93.07034	5.8
94.06572	0.6
95.04951	4.2
95.08598	7.1
97.06528	0.6
98.38226	0.5
99.08089	23.7
103.05460	13.9
104.06271	0.6
105.03423	1.1
105.07024	89.8
106.07349	2.7
106.29665	0.6
107.07954	0.8
107.08595	7.0
109.06525	1.7
109.10155	9.9
111.04423	0.6
111.08138	0.6
115.05447	17.3
115.06261	0.9
117.07030	0.5
118.04159	8.8
119.04957	0.8
119.08562	6.0
121.10169	1.4
122.03659	1.6
123.08071	2.3
123.11717	1.6
129.05479	0.8
131.04912	3.2
132.05684	1.6
133.02856	10.8
133.06483	79.4
133.10110	7.2
134.06853	1.9
135.11676	10.8
136.11200	3.1
137.05971	3.8
137.09605	4.9
143.04984	0.8
143.06026	5.0
147.04414	1.1
147.11723	1.1
149.05957	1.5
149.13318	0.5
150.03088	1.2
151.11197	1.1
159.11670	0.6
161.05969	100.0
162.06328	3.1
165.05492	2.0
165.16356	0.6
175.03795	0.6
175.11192	0.5
175.14839	3.7
178.02608	7.1
178.06204	0.7
193.04951	37.1
193.08600	14.4
193.10301	0.9
193.12134	1.2
193.15863	13.3
194.05286	1.3
194.15375	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	193.1588
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
51.02380	0.4
53.03921	0.6
55.01856	1.5
55.05512	1.8
57.03433	0.4
57.07058	0.7
65.03924	0.7
67.01856	2.6
67.05508	2.2
68.99796	0.9
69.03407	1.1
69.07069	2.8
69.32182	4.1
69.40250	0.3
71.04980	1.8
76.91928	0.3
77.03945	0.4
77.51693	0.3
79.05492	4.3
81.03427	0.5
81.07058	4.4
83.04974	1.6
83.08602	0.8
85.02906	1.1
85.06507	0.5
91.05478	4.9
93.03371	0.3
93.07047	5.0
95.04971	3.0
95.08139	0.4
95.08613	4.7
97.02863	0.6
97.06477	0.5
99.08086	0.8
103.05461	4.7
105.07032	38.2
106.07366	1.1
107.04912	0.7
107.07859	0.6
107.08592	10.6
109.02827	0.7
109.06495	1.3
109.10155	6.7
110.10480	0.4
111.04436	1.2
111.08083	0.5
115.05453	9.0
118.04168	3.9
119.04942	0.7
119.08584	10.1
121.10145	1.5
123.08102	0.9
123.11708	2.6
125.05974	1.2
127.03913	0.6
129.05457	1.1
129.06984	0.8
129.79799	0.4
131.04910	1.2
131.08606	0.6
132.05739	0.6
133.02840	1.6
133.06493	33.8
133.10129	39.2
134.06834	1.2
134.10460	1.8
134.44461	0.3
135.11691	23.1
136.12059	0.5
137.05971	1.3
137.09587	1.4
143.04901	1.0
143.06033	1.5
145.10144	0.6
147.04366	2.1
147.08017	0.6
147.11702	2.0
149.06029	0.6
149.13246	0.5
151.03915	1.3
151.07539	0.5
151.11189	0.5
151.13142	0.8
151.14853	0.4
153.01901	1.9
161.05980	40.9
162.06337	1.3
165.05470	0.7
169.04982	0.9
175.03932	0.5
175.07530	1.1
175.14827	19.7
175.33893	0.4
176.15213	0.8
178.02625	1.4
178.06264	0.4
193.04967	100.0
193.08588	15.6
193.12253	1.0
193.14166	3.8
193.15891	9.6
194.05318	4.0
194.09006	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0859
Annotation	(E)-Methyl 4-methoxycinnamate
Peak:m/z	Relative Intensity
53.03943	0.6
55.01876	3.1
55.05507	1.1
55.41772	0.5
65.03933	1.0
66.04708	0.5
67.05500	1.8
69.03419	0.9
69.07076	0.9
69.55051	3.5
69.55460	0.8
71.04976	0.6
78.04659	0.5
79.05492	10.9
81.03419	1.2
81.07056	3.3
83.04973	1.3
90.04722	0.8
91.05482	6.8
93.03424	0.6
93.07037	3.3
95.04977	4.4
95.08607	4.2
95.22541	0.4
97.06498	0.5
98.21472	1.0
99.08118	1.3
99.20947	0.5
103.05468	12.3
104.06249	1.0
105.07028	92.0
106.07324	1.1
107.04943	0.9
107.08584	3.8
109.06512	1.0
109.10154	1.9
111.04367	1.0
111.08109	0.8
115.05453	17.1
117.03336	0.6
117.07006	0.6
118.04146	8.9
118.04929	0.8
119.04990	0.7
119.08570	7.2
121.02882	0.8
121.06548	0.5
121.10143	1.3
122.03606	0.5
123.04441	1.1
123.08075	1.4
126.35900	0.5
129.05487	1.4
129.06976	0.9
131.04929	3.7
131.08585	1.1
132.05731	1.4
133.02892	2.8
133.06488	81.6
133.10120	12.4
134.06857	1.4
134.10550	0.5
135.08040	0.8
135.11693	6.8
136.11174	0.5
137.05989	1.9
137.09592	1.5
143.04921	1.5
143.06050	4.0
147.04405	1.9
147.08058	1.2
147.11700	2.9
149.06001	1.3
150.03084	0.7
151.11189	1.0
160.05191	0.9
161.05977	100.0
161.23029	0.5
162.06306	2.9
165.05504	1.7
165.09143	0.5
175.07539	2.2
175.11191	1.3
175.14789	6.5
178.02579	1.8
178.06203	1.0
193.04959	12.1
193.08597	29.9
193.12187	2.9
193.15860	4.9
194.09392	0.4
194.15433	0.9
198.00874	0.4
208.38954	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0858
Annotation	(E)-Methyl 4-methoxycinnamate
Peak:m/z	Relative Intensity
53.03937	0.9
53.97869	0.5
55.01865	2.5
55.05502	1.3
62.31573	0.5
66.04708	0.6
67.05489	2.4
67.86719	0.6
69.03429	0.9
69.07062	0.7
69.86253	2.7
77.03912	0.8
79.05488	11.8
80.71985	0.5
81.07054	3.4
83.04982	1.4
85.06525	0.8
90.04673	0.8
91.05468	4.9
93.07035	1.7
95.04958	3.0
95.08596	2.2
97.06501	1.4
99.08039	0.5
103.05457	12.8
105.07025	83.1
106.04284	0.5
106.07363	1.5
107.04946	0.6
107.08591	2.0
109.06527	0.9
109.10162	2.1
111.04460	1.0
115.05447	17.3
118.04150	6.7
119.08574	2.2
123.11742	0.7
123.16907	0.5
131.04921	3.0
132.05675	1.8
133.06485	80.8
133.10121	3.3
134.06870	1.4
135.04538	0.5
135.08046	0.6
135.11703	2.5
137.05986	1.1
137.09529	0.8
143.04897	1.6
143.06035	5.2
147.04411	0.7
147.11659	1.7
149.05962	0.7
161.05971	100.0
162.06346	1.7
165.05531	0.6
170.76752	0.5
175.11163	0.7
175.14778	1.2
178.02585	0.8
193.04945	5.7
193.08614	17.3
193.10471	1.3
193.12291	1.7
193.15869	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	193.0495
Annotation	Isoscopoletin
Peak:m/z	Relative Intensity
53.08010	0.2
67.01863	2.4
68.99769	1.0
71.55844	0.2
71.58092	0.4
83.04954	0.4
83.91771	0.2
85.02905	0.9
91.01849	0.3
94.93455	0.2
95.04987	0.3
105.06996	0.8
107.08620	0.3
109.44981	0.2
119.04940	0.5
123.04436	0.3
125.05971	1.0
127.03893	0.6
133.06493	0.7
137.05966	0.3
147.04413	1.8
151.03882	1.2
153.01849	2.2
161.05966	0.6
169.04958	1.1
175.03946	0.3
193.04959	100.0
193.15865	0.5
194.05266	1.7
206.53900	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0708
Annotation	Quinic acid
Peak:m/z	Relative Intensity
51.27672	1.0
51.75066	1.0
53.03941	4.0
55.01860	3.4
55.05511	10.1
56.96558	4.4
57.03425	3.0
61.02914	4.2
62.75542	1.1
65.03939	11.0
65.75197	1.1
66.61443	1.3
67.01841	1.0
67.05502	22.7
68.99783	2.0
69.03429	67.6
70.83556	3.5
73.02905	4.2
79.05527	1.4
81.03416	1.4
83.04981	73.8
85.02908	19.2
87.00834	7.5
87.04524	1.6
91.05441	2.0
93.03403	17.6
95.04967	96.8
97.02898	8.0
98.97580	3.3
100.02483	2.2
101.06014	5.2
105.07018	6.4
106.02849	2.8
111.04441	100.0
113.02391	1.8
115.03976	3.1
116.98657	1.8
119.01901	1.6
119.08626	1.3
121.02852	12.0
127.03901	2.5
128.98625	1.3
129.05473	86.5
131.00197	3.1
131.54652	1.1
133.06497	4.1
133.10112	1.3
135.11708	1.7
137.05974	2.4
139.03917	35.0
145.03366	2.3
146.99696	2.8
147.01392	2.9
147.03217	2.2
147.06514	33.9
148.03850	1.7
149.01256	2.9
157.04968	17.8
161.06013	4.5
163.04382	1.3
170.03008	3.4
178.02705	1.8
193.03593	1.4
193.04997	11.2
193.06871	2.0
193.08664	1.9
193.12198	1.6
193.15955	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.086
Annotation	(E)-Methyl 4-methoxycinnamate
Peak:m/z	Relative Intensity
52.84875	0.3
53.44912	0.3
55.01863	0.6
55.05500	0.8
56.87056	0.3
56.96575	1.6
57.07065	0.4
58.06602	0.3
62.69112	0.3
63.82052	0.3
66.04713	0.8
67.05510	1.4
69.03425	1.3
69.07069	0.8
70.19946	1.4
73.40039	0.3
77.03914	0.3
79.05495	2.8
81.03417	0.6
81.07059	1.8
83.04999	1.6
84.04496	0.5
89.03925	0.4
90.04686	0.7
91.05484	3.2
93.03458	0.3
93.07037	1.4
94.04218	0.4
95.04967	2.0
95.08601	2.6
103.05478	4.1
105.03397	0.7
105.07030	13.5
107.04983	0.3
107.08583	1.7
109.06512	0.7
109.10166	2.1
111.04443	1.3
115.05458	2.9
118.04169	13.1
119.04937	0.4
119.08578	2.2
121.02897	0.4
121.06461	0.4
121.10166	0.7
123.08062	1.1
128.98572	0.5
129.05487	0.6
129.07018	0.4
131.04930	0.6
132.05690	0.4
133.02896	3.4
133.06494	100.0
133.10085	3.7
134.06808	2.2
135.04494	0.4
135.08073	0.7
135.11671	1.6
137.05992	1.8
137.09624	0.9
146.97433	0.6
146.99614	0.7
147.04427	1.2
147.06496	0.6
147.11670	0.9
149.02322	0.4
149.05978	1.1
151.07591	0.7
151.11191	0.4
156.62312	0.3
159.06750	0.8
161.05989	40.0
162.06674	1.3
165.05460	1.0
165.09109	0.6
175.07507	0.5
175.11194	0.4
175.14818	1.6
176.03494	0.4
176.14291	0.4
178.02592	1.9
179.07025	2.7
193.04982	14.1
193.06955	0.6
193.08612	14.0
193.10222	0.8
193.12111	2.1
193.14238	0.4
193.15913	2.3
193.17711	0.6
194.08080	0.5
194.15407	9.6
211.02849	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	192.1383
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	3.1
53.04173	1.1
55.01857	1.1
55.05492	1.4
56.01379	1.0
58.06601	31.8
59.04988	1.2
59.57592	0.9
60.04510	1.6
62.08367	0.7
65.03935	1.0
66.35896	0.9
67.05176	1.0
67.05505	14.6
69.03419	1.4
69.07041	1.8
69.95901	1.8
69.96308	3.4
79.05479	6.6
81.03391	0.9
81.07050	12.9
82.06197	1.1
82.06585	11.5
83.04977	1.6
84.04522	6.3
84.08126	1.2
91.05483	17.3
93.07040	40.4
94.06537	2.0
94.07811	1.6
95.04974	7.6
95.07310	1.6
95.08606	2.7
103.05469	2.0
105.04512	1.2
105.07030	19.8
105.45708	0.8
107.08588	15.7
108.08110	6.6
109.06512	10.9
109.10153	100.0
109.41059	0.9
110.10464	1.5
115.05431	2.9
118.04171	1.0
119.08551	4.0
121.10110	1.3
122.09644	1.7
123.08050	3.0
123.11696	10.3
127.07567	0.9
131.08571	1.5
133.02789	0.9
133.06502	10.6
133.10124	32.6
134.09641	4.7
134.10506	1.1
135.08067	7.7
135.10399	2.6
135.11682	5.3
136.07553	1.4
139.29517	0.8
147.11690	2.0
150.09132	4.8
150.12776	88.2
151.11177	44.0
157.10132	1.2
159.10416	1.2
160.08839	0.9
161.05981	11.9
164.14255	1.0
174.12721	7.2
175.11127	3.5
175.14763	3.5
177.07747	1.0
178.02649	1.0
192.10162	2.7
192.13821	38.1
192.17467	1.7
193.04935	4.4
193.08611	3.1
193.15837	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0496
Annotation	1,3,6,8-Naphthalenetetrol
Peak:m/z	Relative Intensity
53.03953	0.5
55.01860	1.3
55.05500	0.6
56.96546	0.4
57.03416	0.4
57.07073	0.4
57.87825	0.3
65.03926	0.4
66.04713	0.3
67.05488	0.8
67.53683	0.3
69.03437	2.3
69.07061	0.4
71.05020	0.3
71.59301	0.4
77.03922	0.7
78.92929	0.3
79.05491	3.4
81.03423	0.5
81.07041	1.2
83.04982	2.5
85.02904	0.5
86.22604	0.3
87.00830	0.3
89.03905	1.1
91.05484	2.5
93.03410	0.8
93.07030	0.5
94.04190	0.8
95.04965	4.6
95.06025	0.3
95.08610	0.7
97.02880	0.7
99.03699	0.3
99.04378	0.3
103.05464	4.0
104.06236	0.5
105.03398	1.5
105.07026	28.2
106.07316	0.4
107.04939	0.7
107.08584	1.1
109.06507	1.9
109.07638	0.4
109.10148	1.1
111.04433	2.9
115.05437	5.2
117.03342	0.5
117.07017	0.3
118.04155	2.8
119.04918	0.6
119.08581	2.3
121.02866	0.5
121.06507	0.4
121.10139	0.6
122.03624	3.7
123.04469	0.5
123.08009	0.6
129.05492	2.5
129.06990	0.7
131.04936	1.1
132.05748	0.6
133.02849	32.9
133.06482	26.1
133.10127	1.5
134.03592	0.7
134.06877	0.7
134.10503	0.4
135.08031	0.4
135.11694	0.5
136.11150	0.3
137.05968	9.7
137.09602	0.4
138.06303	0.4
139.03882	1.1
143.04903	0.8
143.06030	1.6
147.04340	0.5
147.06520	0.9
147.08037	0.8
147.11690	0.9
148.08751	0.3
149.05968	2.8
150.03108	3.0
151.07544	0.7
151.11118	0.5
157.04945	0.7
160.08818	0.3
161.05975	34.6
162.06264	0.7
165.05457	4.9
165.09114	0.5
175.07549	1.3
175.11154	1.2
175.14857	0.7
178.02603	19.4
179.02913	0.4
193.04953	100.0
193.08560	7.1
193.12204	2.2
193.15834	1.4
194.05360	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	192.1382
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	3.1
55.05505	2.4
57.07067	1.0
58.06599	35.1
67.05501	14.0
69.03418	1.4
69.07069	1.8
69.52633	9.2
70.74083	1.2
79.05485	3.3
81.07061	12.2
82.06585	11.5
84.04500	5.5
84.08137	1.2
91.05477	17.2
93.07040	42.3
94.06561	3.4
94.07835	1.3
95.04989	7.7
98.06025	1.0
105.04492	2.1
105.07030	8.6
107.08590	12.8
108.08110	5.5
109.06533	10.4
109.10154	100.0
110.09654	1.1
110.10483	1.8
115.50523	0.9
117.07029	1.0
119.08585	1.2
121.10151	0.9
122.09653	3.0
123.08076	2.9
123.11689	10.2
127.07556	1.4
131.08569	1.4
133.06517	1.5
133.10123	21.4
134.09656	4.1
135.08037	7.7
135.10419	4.2
150.09117	3.5
150.12776	86.7
151.11188	43.5
151.13046	1.9
151.58429	1.0
154.07204	1.2
158.09657	1.1
159.10440	1.6
164.14381	1.2
174.12749	8.2
175.11169	1.6
177.07861	2.9
192.06601	1.2
192.10251	5.7
192.13840	34.2
193.04936	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	192.1383
Annotation	Phendimetrazine
Peak:m/z	Relative Intensity
53.03941	1.5
54.09835	0.8
55.05498	2.8
56.96552	3.3
57.07068	1.2
58.06602	12.1
60.04512	2.3
65.94758	0.7
67.05505	7.1
69.03404	1.6
69.07053	2.2
69.91407	4.5
77.14045	0.7
79.05480	3.3
81.07052	5.6
82.06571	4.0
83.04974	2.2
84.04501	15.8
88.27242	0.8
90.29858	0.7
91.05476	10.0
93.07042	17.5
94.06540	2.3
95.04951	3.1
95.08613	1.6
103.05444	0.8
105.06383	1.3
105.07027	17.1
107.08593	8.2
108.08102	4.6
108.08831	1.3
109.06534	4.3
109.10155	36.1
110.10458	0.9
119.00175	1.6
119.04948	1.1
119.08580	2.0
120.08097	0.8
121.10146	1.9
122.06047	0.8
122.09650	1.6
122.10459	1.2
123.08041	1.5
123.11677	4.6
131.08536	1.9
133.02840	1.8
133.06479	3.3
133.10132	42.5
134.09584	1.8
134.10486	1.7
135.08023	3.8
135.10411	1.7
135.11653	1.2
136.11996	1.0
137.01218	2.1
147.04414	0.9
147.11626	1.5
150.09109	3.5
150.12775	48.3
151.11183	16.2
151.13049	1.1
160.02783	1.5
160.04988	1.0
161.05954	3.0
161.09628	8.3
164.07043	1.2
174.12759	3.3
175.11261	1.7
177.07861	7.9
192.02850	1.5
192.06569	4.0
192.10185	18.2
192.13817	100.0
192.17326	8.4
193.04955	7.4
193.08618	0.8
193.12296	1.0
193.14116	1.3
193.15756	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	192.1382
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.6
55.05501	2.5
56.05015	1.6
56.96560	4.9
57.41771	2.0
58.06600	35.3
67.05508	15.9
68.89772	1.6
69.03412	4.1
69.07058	2.0
70.06583	1.9
70.66621	1.5
71.59026	2.6
71.59411	1.6
73.76531	1.5
77.03951	1.6
79.05494	5.4
81.07059	13.2
82.06579	9.2
83.04986	3.3
84.04517	8.0
85.06556	3.1
91.05480	22.5
93.06467	2.9
93.07043	46.0
93.07631	3.1
94.06554	4.6
94.07275	1.6
95.04971	9.9
95.08607	2.7
100.07668	2.2
105.07035	27.8
107.08601	14.0
108.08141	8.7
108.08831	2.0
109.06525	13.3
109.10156	100.0
110.10529	1.6
115.05477	4.4
118.04143	2.4
119.04932	2.0
119.08588	5.9
121.10155	1.9
122.09697	2.2
123.08059	2.7
123.11672	11.9
129.05464	1.6
131.08545	2.1
132.04372	2.4
133.02849	6.9
133.06482	9.7
133.10124	33.5
134.09647	4.5
134.10539	2.9
135.08067	7.7
135.10419	3.5
136.08467	2.0
136.12018	1.8
137.05969	2.1
146.97470	1.7
147.11697	2.9
149.08403	2.0
150.09102	4.0
150.12775	88.2
151.11182	44.6
151.12341	2.7
157.10085	2.4
161.05969	11.4
164.14310	1.8
164.20428	1.5
165.05510	1.8
174.12675	9.3
175.03732	2.1
175.11227	4.9
177.07860	16.8
177.15211	1.9
178.02623	2.7
192.02948	3.4
192.06569	14.2
192.08426	2.5
192.10185	29.0
192.13779	46.9
192.17439	17.1
193.04970	23.6
193.06786	2.7
193.08508	3.9
193.12141	1.7
193.15855	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	192.1382
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.1
55.05490	1.5
58.06598	29.4
58.88380	1.5
63.73545	1.8
67.05495	16.0
69.07051	1.7
69.83267	1.4
70.11199	5.4
70.11623	3.2
79.05492	5.0
81.07047	12.7
82.06567	11.0
84.04507	5.5
87.21399	1.5
91.05479	17.8
93.07043	39.8
94.06578	3.1
95.04948	8.0
100.29613	1.4
105.07019	12.0
107.08577	11.4
108.08115	6.9
109.06504	12.0
109.10153	100.0
110.09679	1.6
115.05376	1.6
119.08565	2.8
122.09644	1.5
123.08006	3.5
123.11705	11.2
127.07610	2.1
133.10135	25.6
134.09607	3.2
135.08028	7.7
135.10425	2.8
149.08356	2.0
150.09146	4.2
150.12776	79.1
151.09959	2.3
151.11168	36.2
174.12767	9.8
174.45885	1.7
175.11172	2.0
177.04156	1.6
177.07841	7.9
192.06548	2.7
192.10210	17.5
192.12349	5.0
192.13844	30.4
192.17484	3.7
193.05077	1.6
202.66772	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	192.1382
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	0.9
56.96553	1.0
57.07059	0.4
59.04994	0.5
60.04525	1.0
60.90091	0.4
67.05500	2.0
69.03427	0.6
69.07062	0.5
70.01931	0.4
71.19328	0.4
71.59631	0.6
79.05481	0.6
80.05016	0.6
81.07046	1.2
83.04987	0.5
84.04504	12.3
85.06541	1.1
91.05482	2.1
93.07029	2.2
94.06565	0.7
94.07352	0.5
95.04945	1.2
95.08604	0.9
98.06026	0.6
99.16050	0.5
103.05529	0.6
105.07024	10.7
107.08591	2.9
108.08112	3.3
109.06519	1.6
109.10123	1.0
111.04413	0.7
115.05497	0.6
119.04894	0.8
119.08558	0.8
121.06378	0.4
121.10098	1.1
123.04473	0.5
123.11665	0.6
129.05470	0.7
131.08585	0.9
133.02838	1.0
133.06476	1.3
133.10127	33.9
134.10463	1.3
135.10417	0.6
136.07443	0.5
137.05940	0.8
146.97408	0.5
147.04381	0.7
147.06566	0.6
147.11664	0.6
149.08389	1.1
150.09134	1.8
150.12775	19.8
151.11214	2.9
156.08226	0.4
160.05074	0.7
161.05943	1.6
177.07855	6.1
178.02646	0.8
192.02904	0.6
192.06548	3.6
192.10199	14.0
192.13823	100.0
193.04974	4.7
193.10448	0.5
193.12282	0.5
193.14174	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	192.1384
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03964	2.7
55.01897	0.8
55.05532	2.2
56.96578	1.5
57.07097	1.1
58.06604	36.3
67.05511	17.6
69.03451	2.6
69.07076	2.6
70.06611	1.1
70.39696	1.4
70.40055	3.0
79.05492	6.1
79.22789	0.7
81.07063	14.1
82.06589	9.8
83.04990	2.1
83.60437	0.7
84.04501	6.2
84.08139	1.4
91.05481	17.6
92.05815	0.9
93.07052	42.1
94.06578	3.0
95.04986	9.3
95.07362	1.0
95.08613	2.5
96.08133	1.5
96.08887	1.0
97.06549	1.2
105.04519	0.8
105.07034	15.5
107.08598	16.2
108.08129	7.2
109.06527	13.0
109.10161	100.0
110.09705	1.5
110.10476	1.9
111.08117	1.0
115.05429	1.1
117.07057	1.4
119.06108	1.0
119.08601	2.7
121.08930	0.8
122.09669	1.9
122.10477	1.0
123.08112	3.7
123.11709	10.7
124.07541	0.9
127.07629	1.2
129.05536	1.3
131.08583	1.9
132.08041	0.8
133.02881	2.4
133.06511	2.3
133.10143	27.0
134.09642	3.5
134.10516	1.9
135.08073	9.3
135.10435	2.8
135.11598	1.1
136.07570	1.7
136.12013	1.8
142.07756	1.1
145.08823	0.7
146.05989	1.0
147.11707	1.9
149.08301	1.1
150.09131	3.8
150.12788	83.5
151.11198	42.4
151.13106	1.5
157.10075	1.3
158.09590	0.9
159.10406	1.4
161.05963	3.4
165.05460	1.0
174.12721	8.1
175.11230	1.8
177.04184	1.1
177.07883	8.9
177.15155	0.8
178.02583	1.4
192.06564	5.2
192.08630	0.7
192.10204	22.9
192.13806	38.0
192.17393	7.5
193.04979	10.0
193.12419	0.8
193.14108	1.6
193.15892	0.8
201.49684	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1794
Annotation	Senedigitalene
Peak:m/z	Relative Intensity
55.05268	1.3
55.05510	21.1
57.07069	8.6
65.03918	1.5
67.05502	16.7
69.03416	2.0
69.07064	36.9
71.12432	2.1
74.28049	1.0
79.05490	18.0
81.06577	2.2
81.07053	34.8
83.08614	18.8
83.74380	1.1
87.68472	0.8
89.27331	1.0
91.05465	10.1
93.07042	53.1
95.04964	2.5
95.08602	68.9
96.08936	1.1
97.10164	14.1
105.07027	7.5
107.04980	1.1
107.08591	73.1
109.06491	2.8
109.10151	66.7
111.11661	2.2
116.01575	0.9
117.06975	2.1
119.08575	5.2
121.06525	1.2
121.10140	84.4
122.10453	2.2
123.08063	1.7
123.11707	10.8
131.04947	1.5
131.08572	4.2
133.10109	7.7
135.08035	3.0
135.11688	90.8
136.11987	1.5
145.06459	1.9
145.10100	2.4
147.11673	2.5
149.09648	1.6
149.13266	21.7
150.02686	2.3
150.13545	1.1
158.10950	1.3
163.14790	3.4
173.13248	3.2
177.07887	2.5
191.03432	2.5
191.06996	1.8
191.08701	1.3
191.10689	1.9
191.14346	12.7
191.17943	100.0
192.06570	1.9
192.10213	5.9
192.18237	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	192.0767
Annotation	Carbendazim
Peak:m/z	Relative Intensity
52.23559	0.2
56.96534	0.2
60.04527	0.4
62.95136	0.2
65.03940	0.2
67.05510	0.3
69.03422	0.4
70.07451	1.3
79.05500	0.3
82.06572	0.8
83.04969	0.3
86.09708	0.5
91.05471	0.5
93.07058	0.2
95.04967	0.3
98.95779	0.2
99.18517	0.2
105.07019	1.9
107.04959	0.5
108.08155	0.6
110.07168	0.6
111.04370	0.3
119.08591	0.3
121.06531	0.2
131.08559	0.3
132.05586	1.7
133.02835	0.3
133.06470	0.9
133.10114	1.8
135.05527	0.3
147.11757	0.3
150.09123	0.3
150.10243	0.2
150.12781	0.7
160.05058	100.0
161.05527	1.0
174.05490	0.3
177.07854	0.4
192.07684	29.1
192.10410	0.8
192.13629	1.2
192.17435	1.0
193.04977	1.4
193.08249	0.3
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	Ephedroxane
Peak:m/z	Relative Intensity
51.25682	0.2
53.03937	0.3
55.05508	0.4
56.05059	0.3
56.96558	1.4
57.03440	0.4
58.13676	0.2
59.06131	0.4
60.04525	0.5
63.35818	0.2
65.03960	0.6
67.05517	0.8
69.03427	2.5
70.06602	0.5
71.60319	0.4
72.04531	0.3
72.93787	0.5
73.02929	0.6
79.05496	0.8
81.03427	0.6
83.04980	2.9
83.06126	0.4
84.04519	0.7
84.08139	0.3
85.02915	1.1
86.06086	0.3
87.04466	0.4
87.05606	0.4
90.94812	0.5
91.05469	1.1
93.03410	0.4
93.07068	0.3
94.06575	0.5
95.04969	2.8
95.08584	0.2
96.04538	0.3
97.02874	1.1
98.06075	1.3
98.97581	0.3
99.04493	0.3
100.04041	0.3
101.06027	0.3
101.07133	0.4
103.05496	0.4
104.05026	0.4
105.03406	0.5
105.07021	1.9
106.06545	0.5
107.04952	0.6
107.08559	0.4
108.08152	0.3
108.95895	0.2
109.02888	0.3
109.06558	0.4
110.06046	0.2
110.07146	0.3
111.04433	2.8
112.07583	0.7
116.10735	0.5
116.98621	0.4
119.01888	0.5
119.04951	0.6
119.08549	0.3
120.08126	0.3
121.02834	0.3
121.06473	0.4
121.10162	0.3
123.04417	0.6
128.03419	0.3
128.07024	0.3
128.98605	0.4
129.05466	2.6
131.04854	0.3
131.99704	0.6
132.04411	0.5
132.95854	0.9
133.02818	1.4
133.06503	2.1
133.10118	0.6
134.05984	0.2
134.10481	0.5
134.99684	0.5
135.08066	0.2
136.06146	0.3
137.05978	0.8
139.03896	0.9
140.07045	1.8
143.01898	0.6
146.05986	2.0
146.09644	0.8
146.99652	0.9
147.04428	0.6
147.06534	0.8
148.03978	0.3
148.07565	2.0
149.08359	4.9
150.00760	1.5
150.05522	0.4
150.08792	0.2
150.96867	2.8
151.07526	0.3
156.06563	0.5
157.04961	0.7
160.03888	0.5
160.05067	0.5
161.02992	1.6
161.05984	1.6
161.41469	0.2
162.02930	0.3
162.05583	0.3
164.07024	0.4
165.05458	0.4
167.97171	0.5
173.98555	0.3
174.05579	0.6
174.07600	0.7
174.13602	0.3
175.06224	1.1
176.07063	0.8
177.07845	47.5
178.02623	0.8
178.08125	0.8
191.97127	0.5
192.06523	3.5
192.10179	100.0
192.17328	1.7
193.04958	3.3
193.06789	0.4
193.08702	0.4
193.10536	2.4
193.15852	0.3
209.98253	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.143
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89492	0.4
53.03934	0.7
55.01873	2.7
55.05503	1.1
56.95988	0.4
57.07048	0.5
67.05493	2.3
69.03430	1.0
69.06726	0.7
69.07068	11.6
69.97103	2.3
71.04971	0.6
79.05485	2.1
80.07543	0.4
81.07059	2.2
83.04968	1.9
83.08640	0.7
91.05008	0.5
91.05483	4.0
93.07047	10.6
95.04939	1.7
95.08598	2.9
97.06532	2.1
97.60427	0.4
102.04739	0.5
103.05476	2.9
105.07022	3.8
107.04933	1.1
107.08592	9.4
109.06522	2.0
109.10159	8.3
111.08062	0.6
115.05437	0.7
117.07039	2.1
118.04175	0.5
119.08589	3.0
121.06507	13.8
121.10134	7.7
123.08098	2.4
129.06943	0.7
130.04161	0.8
130.07811	0.4
131.04909	2.2
131.08583	5.2
133.10130	8.0
135.07103	0.7
135.08069	7.8
135.11678	3.8
137.09616	0.9
143.08522	0.7
145.06512	1.0
145.10124	3.6
147.11691	18.6
148.05167	1.5
149.09625	3.3
149.13274	6.9
158.10886	1.5
161.09636	4.4
163.03954	0.6
163.07547	2.8
163.11154	1.3
163.14825	1.4
173.06000	0.7
173.13252	9.4
175.11230	0.5
176.04666	0.7
176.11955	0.8
191.03349	0.9
191.07043	3.8
191.14304	100.0
192.14677	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.143
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.03939	2.3
55.05494	4.5
57.07066	2.4
65.03934	1.6
67.05502	21.1
69.03419	8.0
69.07056	7.4
70.71349	4.3
71.04988	28.3
71.73391	1.3
79.05485	13.1
81.07053	13.3
83.04960	2.9
83.08598	2.7
85.06548	7.7
91.05466	18.6
93.07047	16.7
95.04962	14.5
95.08608	17.4
97.06524	9.0
103.05469	6.1
105.07021	32.3
107.04935	3.2
107.07862	2.4
107.08588	48.0
108.60742	1.2
109.06513	64.4
109.10152	86.5
111.08071	2.8
115.05457	3.9
117.07023	7.3
118.04140	2.2
119.06050	1.4
119.08587	12.4
121.06513	6.2
121.10133	39.2
123.08061	24.6
129.06995	3.3
130.04074	1.7
130.07787	1.7
131.04906	9.1
131.08562	47.9
133.06477	1.6
133.10118	64.3
135.08046	74.2
135.11676	5.2
137.09589	5.3
143.08549	4.3
144.09286	1.6
145.06595	1.8
145.10098	12.7
147.08003	3.0
147.11667	12.2
148.05127	5.2
148.08797	2.9
149.09616	13.3
149.13269	10.3
150.90222	1.4
158.10916	10.2
161.09622	2.0
163.03935	1.5
163.07523	7.8
163.11130	1.6
163.14809	2.8
173.13257	53.1
174.13611	1.3
176.04604	1.5
176.11980	2.1
191.03423	2.3
191.06934	10.5
191.08479	2.2
191.10631	4.4
191.14299	100.0
191.17953	3.2
192.10153	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.143
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.2
55.01861	1.1
55.05504	3.2
57.03437	1.3
57.07064	1.3
59.04983	0.6
67.05512	3.6
69.03423	6.7
69.07063	4.1
71.04994	2.7
71.61816	0.9
79.05489	4.0
81.03416	1.4
81.07050	4.9
83.04975	5.5
83.08601	0.9
85.02920	0.6
85.06551	1.6
91.05476	11.3
93.07043	6.5
95.04971	1.1
95.08611	5.1
97.06534	4.9
99.22353	0.6
103.05465	2.8
105.07026	23.9
107.04964	2.1
107.08585	19.2
108.08112	0.9
109.06509	3.6
109.10154	4.5
113.09557	0.6
115.05436	2.4
116.06156	0.6
117.06990	4.1
119.08587	9.4
121.06487	2.6
121.10144	11.6
123.08053	6.8
123.11664	3.0
124.07568	2.2
129.07008	1.3
130.07834	0.9
131.04921	1.9
131.08571	23.3
133.10127	99.9
134.10458	1.1
135.08047	9.4
135.11716	2.0
137.09604	0.8
143.08563	3.6
144.09329	2.0
145.06477	10.6
145.10112	11.6
147.08003	0.8
147.11685	6.5
148.05128	0.5
148.07660	0.8
148.08774	1.0
149.08368	3.0
149.09615	5.1
149.13264	7.9
150.09145	0.7
150.12737	1.3
151.11180	1.1
153.96887	0.6
158.10907	6.6
161.09586	2.2
163.07529	1.7
163.11182	2.1
163.14850	1.9
171.11679	0.7
173.05937	0.7
173.09610	1.4
173.13260	38.3
176.04741	0.9
176.07025	0.6
176.11969	1.4
177.07840	18.3
191.03401	1.0
191.07155	3.9
191.10773	3.0
191.14304	100.0
192.10184	36.4
192.13712	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	191.1429
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.7
55.01852	0.9
55.05499	3.2
57.07051	1.1
67.05487	1.9
69.03426	6.5
69.04312	0.6
69.07061	4.3
69.80620	4.8
71.04984	1.5
79.05491	3.9
79.39719	0.8
81.07035	3.0
81.27080	0.7
83.04984	4.2
83.08606	1.3
85.06545	1.4
86.30392	0.7
91.05488	7.4
93.06536	0.9
93.07047	7.1
93.86830	0.6
95.04958	1.2
95.08608	4.2
97.06521	3.8
98.24181	0.7
102.04671	0.8
103.05457	6.3
105.07029	18.5
107.04974	1.2
107.08596	16.4
109.06480	2.5
109.10131	2.6
115.05439	1.5
116.39793	0.7
117.07014	3.1
117.78938	0.5
118.04158	2.4
119.08569	7.6
121.06499	2.1
121.10148	9.9
121.36629	0.6
122.10388	0.7
123.08051	4.2
123.11692	0.7
129.06927	0.6
130.07771	1.0
131.04935	6.4
131.08560	14.8
133.02844	1.1
133.10129	62.4
135.08069	7.9
135.11668	1.8
143.08542	2.1
144.09315	1.1
145.10126	6.5
147.11682	6.0
148.05197	4.1
149.09613	28.1
149.13234	5.1
158.10915	5.6
161.09636	2.0
163.07568	5.2
163.11266	1.1
163.14777	1.5
173.06003	1.0
173.13257	25.2
176.04671	1.6
176.11932	1.3
191.07024	7.3
191.14301	100.0
192.10272	0.8
192.14578	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	191.143
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.03959	0.9
55.01861	0.8
55.05524	3.1
57.07075	0.8
67.05499	4.9
69.03433	3.0
69.07066	5.2
71.04986	2.6
71.17017	1.7
79.05492	5.4
81.07063	5.7
83.04971	3.2
83.08624	0.7
85.06540	2.3
91.05481	9.5
93.07044	9.7
93.22626	0.6
95.04968	4.3
95.08603	16.0
95.73320	0.6
97.06535	9.8
103.05479	7.2
105.03471	0.6
105.07029	24.1
107.04959	3.0
107.08591	18.8
109.06507	4.2
109.10157	4.3
111.08083	2.1
115.05441	1.5
117.06987	3.3
118.04152	1.3
119.08581	7.6
121.06503	7.5
121.10138	17.0
123.08064	6.1
129.06998	1.4
130.04262	0.5
130.07860	0.7
131.04904	4.0
131.08565	25.8
133.02832	0.9
133.10126	100.0
134.10455	1.4
135.08060	6.3
135.11684	2.7
143.08560	3.2
144.09352	1.7
144.57578	0.6
145.10109	9.7
147.11705	7.2
148.05190	3.8
148.08769	1.2
149.09595	6.6
149.13245	7.6
158.10915	8.1
161.09598	0.8
163.07535	3.6
163.11176	1.3
163.14821	5.4
171.11656	1.0
173.13258	39.4
174.13600	0.8
176.04619	0.8
176.11961	0.6
191.07054	3.6
191.08487	0.8
191.14304	39.2
192.10260	0.7
192.14574	1.0
198.61642	0.6
212.47809	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1429
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44170	0.6
55.05499	1.5
57.07057	1.0
65.03945	0.6
67.05496	2.6
69.03424	0.7
69.07059	2.3
69.69853	4.4
71.04990	2.5
79.05489	3.2
81.07052	4.1
83.04959	1.4
85.06539	4.6
91.05480	9.8
93.07045	6.8
95.04962	2.3
95.08598	8.6
97.06517	7.4
103.05458	6.2
105.07027	25.1
107.04949	1.2
107.08586	6.6
109.06525	2.1
109.10154	2.4
111.08084	1.1
115.05429	2.0
117.06989	3.3
118.04166	1.9
119.04900	1.1
119.08581	6.7
121.06485	1.3
121.10136	7.4
123.08065	3.7
129.07008	2.2
130.04129	1.2
131.04929	6.0
131.08563	22.7
133.02817	0.8
133.10127	100.0
134.10448	0.9
135.08070	4.0
135.11665	0.8
143.08548	4.3
144.09355	0.8
145.06517	0.9
145.10115	8.6
147.11685	5.7
148.05205	3.2
149.09619	2.9
149.13260	5.5
158.10898	8.4
163.07562	6.4
163.11050	1.2
163.14792	1.9
171.11731	0.8
173.13263	37.1
189.06993	1.0
190.07802	3.4
191.06993	4.7
191.08549	9.3
191.14301	23.9
191.16078	1.1
199.40657	0.6
211.95012	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.143
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.03940	0.6
55.05511	2.6
57.07069	0.8
59.31637	0.5
63.63131	0.4
67.05512	2.4
69.03429	6.5
69.07065	2.8
71.26157	1.1
71.34194	0.4
79.05482	5.5
81.07050	4.8
83.04991	2.2
83.08627	0.4
90.77624	0.5
91.05475	4.7
93.07042	4.5
95.04978	0.9
95.08616	2.2
105.07028	10.8
107.04980	3.3
107.08593	15.7
109.06525	1.9
109.10153	5.8
110.43584	0.5
115.05483	0.9
117.07017	1.6
118.07792	0.7
119.08569	3.1
121.06516	1.8
121.10147	10.6
121.67252	0.4
122.07280	2.1
123.08061	1.7
129.06969	0.5
131.04909	0.6
131.08578	4.3
133.10123	100.0
134.10492	1.4
135.08038	4.0
135.11665	1.7
137.09613	16.4
143.08540	1.6
144.09328	0.6
145.10086	2.2
147.11674	2.5
149.09634	1.4
149.13257	10.9
158.10878	2.5
163.14842	1.8
173.13255	9.7
191.06923	0.9
191.08566	0.5
191.14291	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	191.1429
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.1
53.82381	0.8
55.05502	2.3
56.54203	0.7
57.07072	1.3
59.04985	0.9
67.05488	2.2
69.03436	1.7
69.07056	2.3
69.26814	4.3
69.27240	4.9
71.04987	0.9
75.13466	0.7
79.05488	3.6
81.07056	5.8
83.04964	1.1
83.08616	0.9
85.06520	5.7
85.76640	0.7
91.05474	12.7
93.07042	7.7
95.04966	1.8
95.08603	5.3
96.01588	0.9
97.06520	4.5
102.63417	0.8
103.05459	3.4
105.07027	27.9
107.04984	1.0
107.08594	17.7
109.06512	1.9
109.10141	2.6
111.08054	1.6
115.05470	1.4
117.07008	3.2
118.04103	1.1
119.08563	10.0
121.06486	2.7
121.10146	8.3
123.08076	3.6
123.11668	1.1
127.38848	0.7
129.04892	0.7
129.06990	1.9
130.04137	1.1
131.04901	2.6
131.07587	1.5
131.08565	25.7
133.10126	100.0
135.08055	6.1
135.11690	2.1
143.08504	3.9
144.09294	1.5
145.06488	1.0
145.10109	10.8
147.11684	7.1
149.09610	4.6
149.13272	8.2
158.10890	5.4
163.07535	2.3
163.11160	1.8
163.14818	2.2
165.07066	1.1
173.13257	35.3
189.07001	2.6
190.07780	7.7
191.07021	3.9
191.08560	25.2
191.10477	1.4
191.12645	1.7
191.14302	27.1
204.06871	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1429
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.03932	1.9
55.05495	4.2
57.03433	1.4
57.07058	1.6
63.78456	1.0
64.02877	0.9
67.05493	4.7
69.03425	7.5
69.07072	6.3
70.79774	2.7
70.80107	1.0
71.04984	3.7
79.05489	6.6
81.07057	7.7
83.04955	4.2
83.08595	1.4
85.06537	1.8
89.89057	1.1
91.05478	9.3
93.07035	9.9
95.04956	3.1
95.08598	9.2
97.02927	1.1
97.06513	3.7
103.05435	4.8
103.59976	1.0
105.07027	20.5
107.04953	3.4
107.08591	21.3
109.06535	6.2
109.10149	5.0
115.05392	2.1
117.06995	3.3
118.04113	1.3
119.08567	11.0
121.06483	4.6
121.10136	15.7
123.08045	6.7
123.11703	2.8
124.07587	2.5
129.06990	2.1
131.04901	3.9
131.08571	21.0
133.10124	45.8
135.04425	2.2
135.08063	11.0
135.11674	3.9
137.09602	1.3
143.08559	3.9
145.06497	7.4
145.10133	11.0
146.06012	13.0
147.11659	8.1
148.05148	1.9
148.08650	1.2
149.08350	6.1
149.09605	24.7
149.13234	11.7
158.10930	7.0
161.09634	1.5
163.03888	1.1
163.07527	3.3
163.11174	2.5
163.14801	5.0
173.06081	1.0
173.09607	2.6
173.13251	30.8
176.04665	2.2
176.11917	1.2
177.07835	44.5
191.03397	3.1
191.07022	8.6
191.08551	2.0
191.10672	4.4
191.14301	69.9
192.06500	5.4
192.10182	100.0
192.13699	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	189.1274
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	3.6
59.04972	2.2
60.39172	1.0
67.05482	1.4
69.03405	1.5
69.07066	1.8
71.03685	1.4
71.04025	2.0
71.04967	1.2
79.05471	3.9
81.07041	1.8
83.04977	3.9
84.04501	1.6
85.02884	2.2
87.81479	1.1
91.05472	22.4
93.07035	2.1
95.04958	1.6
100.39794	1.0
105.07024	36.3
105.68512	1.1
107.04916	1.9
107.08595	2.9
115.05457	3.3
116.06214	4.6
117.07004	6.1
119.04925	10.1
119.08577	38.6
121.06469	3.0
121.10127	1.7
128.06241	7.7
129.07007	13.4
130.07774	5.6
131.04915	3.2
131.08565	82.7
132.08867	1.8
133.06476	3.4
133.10107	9.7
141.06998	6.2
142.07773	2.9
143.08540	15.6
145.06433	2.2
145.09041	2.3
145.10123	31.8
146.07249	4.5
146.10834	2.4
147.08057	10.5
147.11687	35.1
148.05200	2.3
149.09648	1.4
155.08521	1.4
156.05798	1.1
156.09348	47.0
157.06422	3.6
159.08047	6.1
159.11705	5.8
160.08801	2.1
161.05994	19.9
161.09628	26.1
161.13252	24.3
161.50919	1.1
171.11687	68.4
174.06787	3.2
174.10376	15.0
182.19890	1.1
189.09120	32.8
189.12733	100.0
189.16254	2.6
190.13063	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1273
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.8
55.01876	0.6
55.05513	1.7
57.03453	0.5
57.08353	0.5
67.05497	2.3
67.95602	0.5
69.03425	0.7
69.07066	2.2
71.61751	0.6
79.05480	3.2
81.07051	9.3
81.44417	0.4
83.05019	1.0
84.04501	2.1
85.02901	1.3
85.04828	2.0
86.03214	0.6
91.05474	10.7
93.07037	3.2
95.04967	2.6
95.08606	13.9
97.06526	0.9
103.05452	1.2
105.07028	16.5
106.06512	0.6
107.04957	1.3
107.08602	4.2
109.06510	4.6
109.10169	0.9
115.05464	2.2
116.06233	1.2
117.07013	4.2
119.04932	2.3
119.08572	100.0
120.08919	1.8
121.06525	0.6
121.10136	1.3
128.06195	5.4
129.07007	9.1
130.07787	2.4
131.04901	1.2
131.08565	24.0
132.05714	0.7
133.06488	4.5
133.10127	7.0
135.08037	0.6
135.11652	0.9
141.06967	5.1
142.07759	1.1
143.04872	0.9
143.08559	9.9
144.09267	0.6
145.06471	1.1
145.10118	21.5
146.07249	1.4
147.08047	7.6
147.11676	11.8
155.08517	1.6
156.09335	42.9
157.06451	2.6
157.09720	1.3
159.08086	2.5
159.11693	7.0
160.08847	0.8
161.05978	3.3
161.09618	6.0
161.13243	7.0
171.11679	54.0
172.11963	0.9
174.06761	3.4
174.10370	5.6
189.05450	2.0
189.09155	10.8
189.12730	90.7
190.13075	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	190.0498
Annotation	2-Oxo-1,2-dihydroquinoline-4-carboxylate
Peak:m/z	Relative Intensity
56.10064	0.2
56.96570	0.3
59.76687	0.2
60.04517	0.2
64.22928	0.2
69.03412	0.3
69.07096	0.2
70.81059	0.6
72.81111	0.2
73.02924	0.2
84.04494	0.3
85.02898	0.3
87.05618	0.3
89.03911	0.9
91.05502	0.4
91.81558	0.2
95.04945	0.2
97.55683	0.2
100.14271	0.2
107.04953	0.3
116.04989	2.8
120.08149	0.3
121.06528	0.2
130.04976	0.2
131.04877	0.2
134.06036	0.6
134.99673	0.3
140.63670	0.3
144.04456	0.5
145.06454	0.3
145.10020	0.3
149.02347	0.2
162.05495	100.0
163.05861	2.1
190.04979	42.2
191.03548	0.2
191.05356	0.9
191.14235	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0702
Annotation	Oospolactone
Peak:m/z	Relative Intensity
51.21240	0.3
55.05508	0.8
56.96558	0.3
57.07059	0.5
60.95545	0.3
65.03931	0.5
67.05518	0.8
69.03433	1.1
69.07068	1.3
70.80661	1.1
71.04985	0.8
79.05485	1.6
81.07035	1.8
83.04977	0.9
84.09270	0.3
85.06544	0.4
91.05476	9.9
93.07027	2.2
95.04955	1.0
95.08591	1.6
103.05464	0.7
105.07014	2.1
107.04945	0.8
107.08589	3.6
109.06500	1.5
109.10147	1.6
115.44574	0.3
117.06998	1.2
118.04140	0.4
119.04937	23.2
119.08594	1.2
120.05261	0.7
121.02893	0.3
121.06496	0.8
121.10120	2.0
121.34521	0.3
123.08041	1.5
123.11710	0.9
130.04137	0.4
130.07706	0.3
131.04916	0.5
131.08571	1.8
131.45747	0.3
133.10130	4.6
135.08029	2.4
135.11676	1.2
137.09569	0.4
143.08627	0.7
144.09283	0.3
145.06454	0.5
145.10124	1.9
147.04404	88.6
147.11684	0.7
148.04781	1.3
149.09579	1.5
149.13235	1.3
150.02658	0.4
158.10992	0.8
163.07527	0.7
173.05954	0.4
173.09662	0.7
173.13301	3.4
176.04701	0.5
188.87338	0.3
191.07022	100.0
191.14299	9.7
191.17963	1.0
192.07471	1.9
192.10132	0.4
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
55.05515	1.4
56.05024	1.9
57.03430	1.4
59.04995	2.6
60.04518	1.9
61.02922	7.1
67.05536	0.6
69.03417	1.8
69.42941	1.3
69.43347	2.9
70.02950	1.9
71.01369	0.5
71.04992	1.2
72.04529	0.4
72.08117	0.4
73.02942	0.4
75.04459	0.8
81.07024	0.5
82.06585	1.9
83.04980	5.1
84.04501	100.0
85.02901	19.5
85.03432	0.8
85.04826	1.1
86.06039	1.0
87.04471	6.1
88.43927	0.5
89.90710	0.4
94.83103	0.4
98.06026	0.5
98.20692	0.7
99.04474	0.4
100.07607	1.6
102.05609	0.5
106.70335	0.5
107.08635	0.5
110.06053	2.3
111.04424	2.6
112.03953	1.0
117.07027	0.5
119.08569	0.5
124.92833	0.4
126.05510	5.4
128.07062	5.5
129.05481	1.3
129.07057	0.5
141.50255	0.5
142.08470	0.5
146.08145	1.6
147.06512	0.6
147.08037	0.5
161.05948	0.8
161.09634	0.9
163.69650	0.4
170.08142	1.4
174.06708	0.8
183.18245	0.5
188.07939	0.7
188.09192	16.1
188.15204	0.6
189.05519	0.7
189.09082	2.5
189.12735	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1273
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	1.4
67.05479	1.6
69.03428	5.3
70.15916	1.6
70.16306	2.4
79.05472	1.8
81.07011	1.3
83.04990	1.1
84.04489	3.5
85.02892	3.7
85.04822	3.3
91.05479	5.4
93.07020	1.9
95.04969	1.1
96.70349	0.8
103.05478	1.1
105.07028	13.5
107.08591	2.6
107.57314	1.0
109.06527	0.8
111.04398	1.1
115.05463	2.0
117.07042	5.0
119.08579	14.8
121.10103	1.8
128.06236	7.0
129.07014	14.0
130.07788	4.1
131.04973	1.5
131.08580	7.8
132.05756	1.0
133.06476	3.3
133.10126	6.1
141.06978	7.0
142.07741	1.1
143.08559	7.5
144.09325	3.6
145.06494	1.2
145.10114	18.4
146.07240	1.2
147.04395	1.4
147.08063	5.9
147.11690	11.9
148.05208	1.1
148.08714	1.8
149.09541	1.1
155.08546	2.1
156.09340	45.8
157.06494	6.4
157.09692	1.4
157.28654	0.9
158.07193	0.8
159.08008	3.6
159.11710	12.9
160.08781	1.5
161.05963	1.6
161.09583	3.1
161.13275	3.2
171.11685	64.3
172.12003	1.3
174.06781	5.2
174.10342	6.5
189.05409	2.2
189.07260	1.7
189.09128	13.5
189.12737	100.0
189.16380	2.7
190.06274	1.2
190.08615	1.5
190.13057	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	189.1273
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36996	0.6
54.83470	0.5
55.05496	1.6
56.62674	0.5
56.67680	0.5
67.05489	1.8
69.03425	4.6
69.07052	1.3
69.85201	3.3
70.77673	0.5
73.95705	0.6
79.05476	1.0
81.07040	1.2
83.04972	0.6
91.05475	4.2
91.97314	0.6
93.07021	1.2
95.04930	1.4
98.21416	0.8
105.07027	11.2
107.08579	1.8
109.06495	0.9
116.06207	0.7
117.07024	3.0
119.08582	21.2
121.06476	0.9
121.10149	0.7
128.06186	1.5
129.06978	1.6
130.07764	2.6
131.08572	6.6
133.06474	2.4
133.10133	7.0
135.08084	1.8
141.06984	3.6
142.07800	0.6
143.08575	4.4
144.09264	0.7
145.06453	1.2
145.10123	10.3
146.10876	1.3
147.08054	8.9
147.11685	12.1
155.08508	1.8
156.09348	32.2
157.09708	0.8
159.08052	7.1
159.11684	9.0
160.08836	3.4
161.09604	4.1
161.13254	10.5
171.11687	44.9
172.12042	1.0
174.10420	13.3
189.12740	100.0
190.13087	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	188.0917
Annotation	N-(3-Hydroxybutanoyl)-L-homoserine lactone
Peak:m/z	Relative Intensity
55.05503	0.8
56.05027	2.3
57.03415	1.1
59.04995	2.2
60.04521	0.8
61.02640	0.8
61.02924	9.6
66.30563	0.4
69.03432	0.7
69.31142	4.3
69.31541	0.6
70.02956	2.6
71.04987	1.4
72.04496	0.6
72.08128	0.5
75.04468	0.5
82.06580	2.7
83.04977	4.4
84.04501	100.0
85.02901	20.3
85.03428	0.7
85.04829	0.8
86.06082	0.9
87.04467	6.3
96.04472	0.9
96.91114	0.4
97.08149	0.4
100.07607	0.8
102.66402	0.4
104.09811	0.4
110.06034	2.9
111.04395	0.8
126.05520	5.3
128.07063	4.5
129.05505	1.2
142.08714	0.6
146.05998	0.5
146.08122	0.6
147.06593	0.4
155.89610	0.5
170.06004	0.7
170.08134	1.0
172.53287	0.4
188.09189	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	188.0917
Annotation	6-Acetamido-3-oxohexanoate
Peak:m/z	Relative Intensity
51.67096	0.3
54.52382	0.3
55.05492	0.5
56.05038	1.6
57.03427	1.3
58.06604	0.4
59.05005	2.2
60.04521	1.2
61.02927	7.7
69.03421	0.8
69.51161	2.8
70.02948	1.8
71.04989	1.3
71.46803	0.3
72.04540	0.4
75.04479	0.5
82.06571	1.6
83.04978	4.1
84.04504	100.0
85.02901	18.7
85.03427	0.5
85.04839	0.7
86.06062	0.6
87.04464	6.5
87.04964	0.5
96.04486	0.4
98.06074	0.4
100.07629	1.2
110.06032	2.4
111.04436	1.5
112.10842	0.3
121.14885	0.3
126.05512	5.5
128.06195	0.6
128.07069	5.4
129.05518	1.9
134.32356	0.3
137.16237	0.3
145.06061	0.3
146.08115	0.7
160.08359	0.3
170.08188	0.4
171.06497	0.6
188.07883	1.1
188.09216	13.6
193.35478	0.3
202.95094	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0706
Annotation	N-Methylquinolinium-2-carboxylate
Peak:m/z	Relative Intensity
62.62439	0.3
62.82142	0.4
70.02939	0.4
71.22578	0.7
84.04498	3.4
85.02901	0.9
91.05472	2.9
115.05441	4.4
117.05751	1.3
117.07005	4.1
118.06534	62.6
119.06873	1.2
126.05491	0.4
128.06999	0.3
132.08115	0.7
139.82085	0.3
142.06517	5.5
142.07515	0.5
143.07289	10.6
144.04440	0.7
144.08072	22.8
145.06531	0.5
145.08464	0.6
146.05998	100.0
147.06354	2.2
155.06050	0.7
160.07574	0.9
170.04601	0.7
170.06003	8.4
188.07054	28.2
189.07343	0.5
196.69275	0.4
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	N2-Acetyl-L-aminoadipate semialdehyde
Peak:m/z	Relative Intensity
50.58455	0.2
55.05502	1.3
56.05020	1.5
57.03434	1.4
59.05000	2.4
60.04520	1.1
61.02923	9.0
67.05503	0.4
68.05033	0.2
69.03426	1.0
69.07050	0.6
70.02943	2.1
70.06574	0.3
71.04990	1.5
71.08693	0.5
72.04508	0.6
72.08144	0.3
73.02911	0.3
74.06081	0.3
75.04463	0.9
81.03392	0.3
81.07049	1.0
82.06578	2.1
82.07371	1.3
83.04980	4.0
84.04500	100.0
84.08123	0.4
85.02900	19.0
85.04826	0.5
86.06059	0.8
87.04462	6.7
88.04000	0.2
91.05474	0.3
96.04478	0.3
98.06066	0.7
98.97578	0.7
100.07604	1.5
101.06026	0.3
105.05516	0.4
105.07028	0.4
110.06046	2.6
110.10497	0.4
111.04427	1.2
112.03960	0.4
112.07603	0.3
112.12068	0.3
116.98611	0.4
124.12000	0.3
126.05515	4.8
128.06233	0.2
128.07071	5.7
129.05478	1.2
132.08870	0.5
142.07404	0.4
142.08646	0.3
146.06010	0.4
146.08147	0.8
147.08072	0.3
152.11542	0.3
158.99690	0.3
160.08398	0.4
160.09683	0.4
163.93054	0.2
170.06113	0.3
170.08131	0.9
170.12614	0.3
171.06625	0.3
174.10487	0.3
177.00720	0.4
188.07913	0.8
188.09195	13.4
188.10556	0.5
189.09390	0.3
189.12720	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0917
Annotation	6-Acetamido-3-oxohexanoate
Peak:m/z	Relative Intensity
55.05505	1.2
56.05038	2.1
57.03431	0.7
58.06590	0.5
59.05004	2.6
60.04521	1.2
61.02924	9.1
68.05035	0.6
69.03415	1.1
69.46674	1.1
69.47082	2.7
70.02953	1.9
71.04986	1.2
73.38586	0.4
75.04488	0.5
82.06581	2.1
83.04984	3.9
84.04502	100.0
85.02905	18.4
85.04845	0.6
86.06051	0.8
87.04465	5.9
90.21104	0.4
96.04533	0.4
99.81971	0.4
100.07635	0.7
110.06026	2.6
111.04469	1.3
112.45162	0.5
126.05499	4.9
128.07074	6.1
129.05493	1.2
146.05963	0.4
146.08116	1.0
170.06075	1.0
170.08121	0.7
176.59871	0.4
188.09187	12.6
194.81885	0.5
196.06848	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.1329
Annotation	(3S)-6-Hydroxy-3-isopropenyl-heptanoate
Peak:m/z	Relative Intensity
53.03927	2.6
53.15113	1.2
55.01839	2.2
55.05510	5.8
56.05018	2.1
57.03411	1.2
57.07067	2.0
57.27686	1.1
59.04986	4.7
61.02917	4.9
63.76619	1.2
67.05507	7.3
67.59686	1.1
69.03431	6.4
69.07068	18.3
71.04991	25.9
71.61848	2.0
73.06568	1.2
79.05485	16.4
81.03396	4.8
81.07058	100.0
82.06548	1.3
83.04973	8.9
83.08610	4.1
84.04507	46.6
85.02905	10.9
85.06539	1.8
86.51232	1.1
87.04456	3.0
87.08116	1.5
88.02196	5.0
90.04257	1.9
90.92459	1.2
91.05485	7.2
93.07037	6.9
95.01315	3.8
95.04945	3.4
95.08568	4.4
97.02875	1.6
97.06548	7.0
97.10132	1.3
99.04449	12.6
99.08076	5.8
101.06034	1.1
103.05459	2.9
105.07004	5.7
107.08575	10.3
109.06509	4.3
109.10159	18.6
110.05998	1.3
111.08057	2.9
111.11720	8.4
113.05949	2.1
115.05450	3.6
116.06219	3.9
117.07018	4.3
119.08547	3.5
121.10159	2.3
123.08047	1.1
123.11713	20.4
125.09645	1.5
126.05505	2.1
127.03914	11.9
128.06194	3.8
128.07056	2.5
129.05466	1.2
129.07013	7.2
131.04889	3.3
131.08582	11.1
133.10088	4.1
139.11189	10.1
141.06972	2.5
143.08546	2.7
144.05705	13.5
144.09329	2.0
145.02905	1.3
145.06468	2.5
145.10098	14.7
146.03172	3.8
150.76495	1.2
151.11182	13.9
156.05728	1.7
157.10101	3.5
157.12233	5.1
158.10858	1.4
159.06746	1.8
159.08057	21.5
159.11707	8.3
160.09706	1.3
169.12250	9.1
172.05157	6.7
172.08842	2.3
172.12428	4.5
173.00781	5.0
187.03908	3.7
187.05933	4.7
187.07535	57.9
187.11179	12.1
187.13132	3.6
187.14795	23.4
188.07751	2.3
188.09261	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	187.1328
Annotation	(3S)-6-Hydroxy-3-isopropenyl-heptanoate
Peak:m/z	Relative Intensity
55.01858	2.7
55.05512	9.4
57.03430	4.5
57.07066	5.7
59.04988	3.3
60.41171	1.1
61.02916	2.9
63.81214	0.9
65.03950	1.9
67.05504	59.6
68.05819	1.1
69.03427	6.9
69.07075	10.7
71.04993	74.9
71.58958	1.2
71.59368	1.5
79.05061	1.4
79.05494	17.9
80.19093	1.1
81.03416	4.7
81.06573	2.6
81.07056	53.0
82.06586	1.2
83.04993	5.9
83.08611	3.5
84.04503	34.3
84.08109	1.0
85.02911	8.6
85.06543	100.0
86.06870	2.0
87.04462	3.3
87.75086	1.1
88.02203	3.8
88.25471	1.0
91.05479	41.5
93.07042	21.2
94.07370	1.6
95.04959	4.0
95.08609	6.9
96.04488	1.3
97.02895	1.8
97.06507	4.2
99.04431	3.2
100.07635	1.0
105.07030	42.1
106.07349	1.2
107.08591	37.5
109.02863	1.1
109.06533	7.6
109.10157	64.4
111.08070	3.0
113.06045	1.6
117.07024	1.6
123.08075	2.3
123.11722	14.1
123.36311	1.2
125.09595	2.2
126.05530	3.2
127.03902	2.2
127.07532	2.9
128.07072	1.8
131.04836	1.6
131.08568	4.6
133.10130	86.5
134.10452	3.5
139.11172	2.1
141.07039	1.7
144.05692	2.6
144.09299	1.4
145.06473	1.2
145.10085	4.8
151.09946	2.5
151.11182	49.2
152.11555	1.3
159.08020	5.2
159.11700	4.4
169.10075	1.4
169.12247	22.0
172.08838	1.5
173.00810	2.5
187.03960	1.4
187.06029	2.1
187.07567	11.7
187.09061	1.4
187.09810	1.3
187.11136	8.1
187.13170	2.2
187.14821	3.6
188.09160	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.1328
Annotation	(3S)-6-Hydroxy-3-isopropenyl-heptanoate
Peak:m/z	Relative Intensity
53.00306	1.3
53.03939	3.0
55.05510	5.6
56.05012	0.7
57.03444	1.0
57.07056	2.7
59.04987	2.8
59.06112	0.9
60.04516	0.9
61.02923	1.2
67.05501	6.8
67.46541	0.7
69.03436	4.0
69.07066	18.4
70.99318	1.7
71.04991	24.7
72.08156	1.8
73.06560	1.1
79.05493	17.6
81.03416	4.2
81.07052	100.0
82.07390	1.7
83.04984	6.8
83.08611	2.8
84.04033	1.3
84.04504	16.3
84.08142	2.1
85.02905	3.9
85.06533	2.1
86.06060	1.0
86.09713	1.5
87.04451	1.5
87.08081	1.0
87.33694	0.8
88.02199	2.3
89.06029	1.5
91.05460	3.6
93.07034	7.7
95.04941	3.7
95.08590	4.9
97.02905	1.0
97.06518	7.6
97.10154	1.6
98.97582	2.1
99.04459	2.4
99.08083	4.5
100.22501	0.8
101.05977	2.0
104.02783	0.8
105.07016	2.9
107.08585	15.3
109.02895	1.3
109.06512	2.7
109.10149	19.3
111.08083	2.9
111.11716	9.2
113.05972	0.9
116.98595	1.0
117.06979	1.1
119.01929	1.7
120.02084	0.8
121.10123	2.9
123.08081	1.7
123.11700	21.7
123.12589	1.6
127.03962	4.0
127.07509	1.0
127.11166	1.3
128.07091	1.0
129.10236	1.1
131.08546	3.3
131.72641	0.7
133.10150	4.2
139.11168	10.5
141.05484	1.1
141.06995	1.6
141.09074	0.9
143.01913	2.3
143.08472	0.9
144.05693	1.0
144.09329	1.0
145.06430	1.0
145.10098	3.3
151.11182	13.9
155.03378	2.6
157.12256	4.7
159.08081	2.9
159.11661	2.7
161.02924	3.4
162.03151	1.1
169.12259	7.6
172.05190	1.0
172.08867	1.2
173.00909	1.2
187.03859	0.9
187.06032	1.4
187.07538	6.2
187.11168	6.4
187.13144	2.1
187.14761	1.3
188.09196	1.7
193.70828	0.8
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	(3S)-6-Hydroxy-3-isopropenyl-heptanoate
Peak:m/z	Relative Intensity
55.01863	0.5
55.05510	3.1
57.06870	0.5
57.07076	4.8
58.13008	0.4
61.02924	0.8
67.05505	13.5
69.03429	1.3
69.07074	2.4
70.00397	0.9
70.00805	1.6
71.04993	7.1
76.10455	0.5
79.05476	2.7
81.03414	0.9
81.07059	12.6
82.06597	0.7
83.04979	100.0
84.04507	9.6
84.05299	1.0
85.02906	2.0
85.06536	7.5
87.04468	0.8
87.08107	3.0
88.02227	0.8
91.05476	3.7
93.07043	2.5
95.04968	1.0
95.08601	1.4
99.04466	1.4
105.07043	4.1
107.08594	14.5
108.08931	0.8
109.06548	2.3
109.10155	38.7
111.47669	0.5
119.08517	0.5
123.08083	1.8
123.11712	5.5
127.03951	0.8
128.07092	0.7
129.07048	0.5
131.08586	1.3
133.10133	7.9
143.01933	0.6
143.70653	0.5
144.05698	0.9
145.10097	0.9
151.11183	12.2
151.12364	1.0
155.05983	0.6
159.08080	1.1
159.11784	0.6
161.02937	0.6
169.12231	8.4
169.29961	0.4
187.04050	0.5
187.06007	0.8
187.07585	3.1
187.11230	1.4
187.13293	1.3
187.14789	0.7
188.09212	1.9
199.76282	0.6
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	(3S)-6-Hydroxy-3-isopropenyl-heptanoate
Peak:m/z	Relative Intensity
51.37261	0.5
51.64389	0.5
53.03936	0.7
55.01857	1.0
55.05498	3.3
56.96559	3.7
57.03432	1.4
57.07074	5.7
59.04996	1.4
61.02911	0.8
67.05499	11.5
69.03420	3.4
69.07072	1.9
69.33485	6.2
69.33815	0.5
70.02928	0.7
71.01347	1.0
71.04979	2.1
73.06555	0.5
79.05476	3.0
81.03407	2.0
81.07053	12.6
83.04977	100.0
83.08593	1.1
84.04501	10.8
84.05287	1.3
84.08132	0.6
85.02896	3.4
85.06529	2.4
86.04121	0.5
87.04443	1.4
87.08106	3.3
88.02200	1.8
91.05467	6.0
93.07040	2.1
95.04943	1.2
95.08596	1.9
97.06538	4.1
98.20683	1.2
98.51056	3.7
99.04440	2.1
99.08098	0.8
103.05460	1.3
105.07016	3.6
106.53376	0.8
107.08595	13.0
107.51559	1.2
108.08949	0.6
109.06521	2.8
109.10151	36.5
110.01848	0.9
115.07637	0.6
116.06236	0.7
117.17976	0.5
118.06560	0.7
119.08620	0.6
120.08110	2.2
121.10134	0.9
123.08111	2.6
123.11702	6.6
126.05534	0.7
127.03905	2.3
128.06232	0.7
129.06976	1.2
129.53613	1.0
131.04903	1.6
131.08556	2.1
133.10110	2.7
134.01248	1.3
139.11168	1.0
141.53584	1.3
144.05687	6.0
145.10072	1.1
146.03120	0.8
151.11171	12.3
154.52548	1.0
159.08089	3.4
159.11705	1.3
160.97565	0.7
163.53110	0.9
169.12234	11.5
172.05186	4.3
172.08760	1.0
173.00772	1.4
178.00189	0.6
187.02374	0.6
187.06102	1.1
187.07542	21.1
187.11104	2.8
187.13063	1.0
187.14832	1.1
188.09171	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.1328
Annotation	Streptenol D
Peak:m/z	Relative Intensity
53.03938	4.9
55.01859	4.3
55.05499	7.1
56.05020	1.7
57.03436	3.9
57.07075	3.3
59.04998	47.0
61.02926	3.8
63.64840	2.0
67.05506	9.5
69.03420	6.9
69.07064	3.6
69.88378	4.8
69.88795	4.3
70.52093	1.6
71.04980	6.9
74.19527	1.6
75.04453	2.1
77.41277	1.3
79.05484	16.7
81.03400	4.7
81.07053	88.9
81.94211	1.5
82.07415	2.2
83.04977	3.8
83.08628	7.9
84.04502	37.2
85.02895	7.3
85.06528	1.7
85.22733	1.6
85.29818	1.5
87.04465	19.3
88.02220	3.8
89.06018	3.2
91.05479	25.6
93.07040	100.0
94.07390	2.7
95.04948	7.6
95.08604	8.3
97.02916	1.7
97.06512	2.4
98.20837	3.3
99.04427	3.5
105.05514	2.2
105.07028	44.3
106.07333	2.1
107.08606	13.5
109.06507	9.7
109.10152	11.4
111.08076	24.8
117.06993	2.6
119.08567	2.7
121.10150	12.9
123.08088	3.3
123.11704	18.6
127.03929	3.5
129.07001	2.8
131.08554	5.6
133.10120	18.8
141.07072	1.8
144.05730	3.8
145.10110	4.0
146.06038	2.0
151.11171	23.2
157.06485	1.6
159.08076	4.1
159.11682	4.5
166.74301	1.6
169.12259	11.0
172.08847	3.1
173.00883	4.6
173.10988	1.8
173.52167	1.4
187.02440	2.1
187.03899	2.5
187.07544	14.0
187.11153	13.0
187.12688	1.9
187.14774	8.2
188.09210	4.8
194.33604	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.1117
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.0
54.13232	0.4
55.05498	1.0
59.05725	0.4
63.25507	0.4
65.74198	0.5
67.05498	0.9
69.03429	1.1
69.07054	1.6
70.37583	1.7
77.52931	0.4
79.05465	0.7
81.03406	1.2
81.07071	0.5
84.04506	1.2
88.02209	1.8
89.37346	0.4
91.05489	5.7
93.06468	0.7
93.07040	12.0
95.04962	1.3
103.05445	0.9
105.07049	0.6
107.04952	20.7
109.10152	0.5
111.48521	0.4
115.05444	0.9
117.07001	3.7
119.04917	0.5
121.06504	2.1
128.06232	0.5
128.39928	0.4
129.06996	1.3
130.07811	0.5
130.42804	0.4
131.04936	3.0
131.08566	8.5
133.06465	0.6
141.07010	1.9
142.07771	0.8
143.08505	0.5
144.05667	3.0
144.09337	0.9
145.06482	18.8
145.10106	1.1
146.07147	0.8
147.04405	0.6
154.07762	0.5
155.06015	1.2
157.06491	2.0
157.10127	1.5
158.07269	14.7
159.08052	22.7
159.11665	4.2
169.07571	1.2
169.10089	1.2
171.08006	0.6
172.08813	9.5
173.00766	0.8
187.11177	100.0
188.11559	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	187.0753
Annotation	4,4'-Dihydroxybiphenyl
Peak:m/z	Relative Intensity
55.05510	0.2
56.96550	0.5
60.86168	0.2
67.05503	0.2
69.03429	1.0
71.11655	0.5
79.05499	0.2
81.03408	1.1
81.07054	0.6
83.04939	0.3
83.08607	0.2
84.04516	1.8
85.02905	0.6
88.02224	1.1
91.05476	0.8
95.01311	0.3
95.08614	0.4
97.02926	0.2
99.04460	0.9
103.05466	0.3
105.07034	0.4
109.02838	0.3
109.10186	0.2
112.81987	0.2
115.05456	0.8
116.06218	0.8
117.07012	0.4
119.08598	0.2
123.08070	0.2
127.03880	0.9
128.06216	0.5
129.07042	1.0
131.04909	0.4
131.08546	1.6
137.98347	0.8
140.48575	0.5
141.06999	0.9
144.05698	30.5
145.06216	0.8
145.10107	1.3
149.49170	0.5
155.04913	0.5
156.05688	0.3
157.06497	0.4
158.07275	0.2
159.04446	0.3
159.06816	0.3
159.08066	2.6
159.11584	0.4
170.96201	0.2
172.05185	33.8
173.00769	0.7
173.05580	0.9
187.07539	100.0
187.14813	1.2
188.07878	3.5
188.09285	0.2
202.08717	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	186.0549
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28663	0.6
54.53560	0.8
55.34793	0.8
61.07255	0.8
63.02390	2.1
71.05596	1.7
71.66142	0.7
82.66342	0.8
85.02935	1.0
89.03919	62.6
90.04253	0.9
97.28874	0.6
103.05494	3.4
107.04924	1.0
114.05533	2.1
116.04996	1.2
117.03383	81.1
118.03718	1.8
120.66302	0.7
126.05517	2.8
130.06523	8.4
135.04411	19.3
140.07059	0.9
145.02849	100.0
146.03165	2.1
158.06015	37.8
163.03915	20.9
183.77110	0.7
186.05501	74.4
186.22136	1.4
187.03815	1.1
187.05829	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.0754
Annotation	o-Hibiscanone
Peak:m/z	Relative Intensity
51.02402	0.7
52.81323	0.7
53.03930	2.4
55.01870	7.6
55.05496	3.3
56.05019	1.4
56.96554	1.0
57.03416	1.5
57.07048	1.3
58.06606	1.1
59.04982	2.3
59.06101	2.1
61.02903	2.2
65.03942	0.7
67.05502	5.3
69.03425	7.2
69.07064	4.0
69.48985	1.8
69.49389	4.5
70.02966	0.9
70.06575	1.8
71.01353	11.1
71.04988	4.6
72.08144	1.2
72.93781	0.8
73.02905	1.3
79.05492	3.3
81.03410	10.6
81.07052	18.8
83.01316	2.1
83.04971	2.5
83.06103	0.9
83.08611	2.5
84.04041	1.3
84.04507	22.2
84.08122	0.9
85.02902	8.3
85.06525	2.2
85.07666	1.6
87.04449	2.2
88.02216	5.0
88.03072	0.7
91.05478	40.4
93.07013	3.1
95.04945	2.8
95.08596	2.6
97.02900	1.5
97.06510	3.0
97.07610	0.7
98.09668	1.9
98.97546	0.9
99.04438	2.2
99.08084	1.2
99.09174	0.9
100.07661	1.1
103.05450	2.8
105.03371	1.0
105.07019	1.8
107.08573	4.8
109.02863	3.1
109.06506	1.6
109.10168	5.5
111.04430	0.8
111.09206	1.0
111.11718	1.0
112.03947	0.9
115.05435	17.0
116.06256	10.9
117.07025	16.7
119.01895	1.3
121.10114	1.1
123.04435	2.4
123.08046	1.1
123.11707	4.3
125.07104	0.9
126.05479	0.7
126.09132	2.1
127.00232	1.0
127.03904	3.3
127.08707	1.1
128.02319	1.5
128.06204	5.3
128.07057	1.8
129.07001	17.4
129.10260	1.0
131.04942	9.4
131.08565	64.0
132.08867	1.7
133.06514	1.0
133.10126	1.6
141.06990	55.7
142.07332	1.0
143.01897	2.2
144.05688	17.1
145.06485	5.9
145.10078	3.0
151.08612	1.0
151.11172	4.1
157.06493	8.7
158.07262	10.7
159.04443	1.5
159.08055	67.6
159.11586	1.7
160.08459	1.7
161.02953	2.8
162.03131	1.0
163.97728	1.0
169.04993	1.3
169.06456	16.7
169.07600	1.4
169.09674	7.0
169.12216	1.6
173.00790	4.9
176.03377	0.9
182.03256	1.3
187.07539	100.0
187.10983	4.7
187.14816	2.1
188.07762	1.5
188.09184	3.8
188.10677	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.1172
Annotation	Ieodomycin D
Peak:m/z	Relative Intensity
53.03934	0.6
54.72523	0.3
55.05499	1.4
57.03425	1.1
59.04990	0.5
59.06112	0.5
59.47418	0.4
65.03931	0.8
65.32950	0.3
67.05484	1.3
69.03416	0.7
69.07059	3.5
71.04984	0.9
71.36488	0.5
71.36804	0.4
79.05491	14.6
80.69024	0.3
81.03403	0.8
81.07048	3.5
83.04976	1.5
83.08606	0.4
83.39079	0.3
85.02927	0.5
85.06526	0.4
85.07634	0.5
87.03591	0.3
91.05477	8.5
93.07033	3.4
95.04962	1.0
95.08602	3.2
97.06527	1.2
97.07642	0.4
97.10171	0.5
99.04437	2.7
101.83057	0.3
105.06299	0.5
105.07022	13.6
107.08586	100.0
108.08928	1.7
109.06509	4.8
109.10158	0.9
111.04446	0.5
111.08082	0.8
113.06008	0.4
116.06225	0.3
117.07078	0.4
119.06107	0.5
119.08598	1.6
120.01951	0.3
121.06516	0.4
121.10139	5.8
123.08054	5.5
125.05995	0.6
125.07112	0.3
125.09633	3.0
127.08581	0.3
128.06198	0.3
129.05492	0.4
129.07011	1.3
131.08540	3.7
137.09607	1.4
139.11206	1.8
142.07826	0.4
143.08574	0.8
149.09631	5.5
157.06444	0.5
157.10162	0.5
163.01848	0.5
167.03476	0.3
167.10683	7.5
168.11241	0.5
181.02817	0.8
185.05911	0.8
185.11783	5.7
185.13318	1.0
186.07689	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.0808
Annotation	UNII-Z02B4Y02FV
Peak:m/z	Relative Intensity
55.01860	0.8
55.05515	3.1
56.96569	0.8
57.03424	1.3
57.07057	1.0
59.04984	1.3
59.06114	0.9
61.96657	0.4
63.28935	0.4
65.03927	1.3
65.35936	0.4
67.05507	3.1
68.99786	1.4
69.03445	2.2
69.07065	4.2
70.06585	0.6
71.04985	3.0
71.58839	0.6
72.08147	1.2
73.11685	0.5
75.04467	2.0
79.01829	1.3
79.05492	4.3
81.03414	2.6
81.07050	7.7
82.04187	1.8
83.04980	3.1
83.06070	0.8
83.08633	0.9
85.02887	1.5
85.06549	1.1
86.09706	0.9
87.04453	0.9
89.03922	0.6
91.05476	2.3
93.03401	0.6
93.07043	6.2
95.01337	6.1
95.04959	3.8
95.06119	0.6
95.08612	4.3
97.06540	3.2
97.07634	0.9
97.10165	1.1
99.04458	2.8
102.96853	0.8
105.07003	2.9
107.01356	0.6
107.08588	11.4
109.02856	1.0
109.06506	2.7
109.07615	0.6
109.10133	2.6
110.03661	23.8
110.18964	0.4
111.04455	5.6
111.08070	1.4
111.11711	0.8
112.44120	0.4
113.06013	0.5
114.05541	1.0
117.03381	1.6
120.97911	1.4
121.06474	0.6
121.10139	8.6
123.00744	0.7
123.04434	2.1
123.08090	2.2
123.11674	1.3
124.05191	0.9
124.73708	0.6
125.02340	1.3
125.05988	73.4
125.09608	8.0
126.05476	1.0
126.06329	0.9
127.03921	5.7
127.08661	0.9
128.06215	1.1
129.07053	1.1
130.06483	0.5
131.08562	0.8
134.03645	0.4
137.09627	1.1
138.03120	0.8
138.98918	1.5
139.03905	17.8
139.07518	0.6
139.11159	4.0
140.04604	1.5
140.07066	0.5
141.05478	0.9
142.02660	0.6
142.06039	0.6
142.07750	1.1
143.08553	2.1
145.02815	1.2
149.09610	2.6
153.05458	100.0
154.06247	41.0
154.08052	0.7
155.03375	3.8
155.06877	1.4
156.04146	1.5
157.06488	0.5
157.10080	2.3
158.05952	0.7
163.01790	1.0
167.07011	0.5
167.09457	0.8
167.10689	5.5
168.07625	0.9
168.11304	0.9
169.04991	0.6
170.05734	9.9
170.10925	0.6
170.24843	0.5
181.02879	2.1
185.04486	1.2
185.08090	35.6
185.09425	1.4
185.11694	3.7
185.13313	3.9
186.05449	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0726
Annotation	O-Phosphocholine
Peak:m/z	Relative Intensity
56.05032	1.0
60.08170	13.1
63.54080	0.7
70.39930	2.8
71.07374	5.9
75.19705	0.6
86.09706	69.8
86.30281	0.7
98.98469	10.6
104.10720	3.2
119.46437	0.7
125.00006	56.1
184.07344	100.0
185.07651	1.4
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
56.05048	0.8
58.06599	1.2
59.17477	0.7
60.07881	0.8
60.08162	14.4
64.74771	0.7
65.19482	0.7
70.14301	0.7
71.07372	8.5
71.58536	1.0
79.21719	0.6
84.31160	0.7
86.09705	77.6
87.10015	0.8
98.98466	12.7
101.95029	1.0
104.10710	3.6
119.96101	0.8
125.00004	63.4
132.16202	0.7
163.14035	0.7
166.02654	0.9
184.07339	100.0
185.07661	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0726
Annotation	O-Phosphocholine
Peak:m/z	Relative Intensity
56.05037	1.1
58.06617	0.7
60.08162	15.4
70.92670	1.4
71.07372	8.4
78.24075	0.7
86.09700	78.4
87.10046	1.0
95.04978	0.6
97.81592	0.6
98.98466	12.7
101.95066	0.7
104.10738	3.8
114.94815	0.6
119.96069	1.1
120.97901	0.6
124.99998	60.6
137.97098	1.2
138.98915	1.2
139.07303	0.7
143.01009	0.9
143.08575	0.5
147.04408	0.9
166.05023	0.7
184.07333	100.0
184.17056	0.6
185.07640	1.0
185.13268	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.0466
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.3
55.01867	3.1
55.05510	8.7
56.05029	2.5
56.96290	2.3
56.96566	39.6
57.03428	3.2
57.07074	2.4
59.04995	2.5
59.06126	5.7
60.04512	1.5
60.08533	1.1
60.95848	1.7
61.13958	1.2
65.03942	2.9
67.05506	4.7
68.05033	2.3
69.03422	6.7
69.04604	1.3
69.07069	10.5
70.06598	5.6
71.01358	1.7
71.04987	5.2
71.58411	2.0
71.95256	2.4
72.08144	5.6
73.02908	2.1
74.06051	1.1
74.97627	1.5
75.04480	1.4
79.05506	8.2
81.03417	25.4
81.07053	15.4
82.06556	2.8
83.04969	7.6
83.06096	4.9
83.08610	3.0
84.04498	2.0
84.08136	1.8
84.96026	5.6
85.02905	5.2
85.06557	1.3
85.07663	3.1
86.06058	2.4
86.09729	2.8
87.04450	1.4
87.08111	4.9
91.05481	100.0
92.05818	7.1
93.07046	13.3
93.51801	1.1
95.04976	5.1
95.06079	1.5
95.08604	9.1
97.02894	4.9
97.06522	7.5
97.07645	3.2
97.10161	3.8
98.06073	2.3
98.07146	1.5
98.97585	28.5
99.04450	13.3
99.05572	3.2
99.08064	2.2
102.96982	2.8
103.05500	1.5
105.07025	7.3
107.04964	4.9
107.08590	20.2
109.02879	2.3
109.06532	6.3
109.07625	5.3
109.10152	3.2
110.06059	1.4
110.97576	5.2
111.04431	3.5
111.08091	4.9
111.09199	4.3
111.11719	1.6
112.07573	1.5
113.07171	1.3
114.05523	3.8
115.38171	1.2
116.98610	31.6
117.98977	1.1
118.56175	1.1
119.01892	4.6
119.04942	93.4
119.08581	1.5
120.02037	6.4
120.05260	6.2
120.97947	4.7
121.01669	2.9
121.02912	1.4
121.06498	10.3
121.10135	17.5
123.08062	4.1
123.11686	1.3
125.02354	3.4
125.05985	3.2
125.07102	3.3
125.09635	20.5
126.05538	2.7
127.08681	5.2
128.06223	7.8
128.98601	14.9
129.07010	18.8
131.08582	3.7
134.99660	35.6
137.02946	2.2
137.09610	1.8
138.03062	4.1
138.98940	8.9
139.01814	4.3
139.03894	3.0
139.07544	1.9
139.11186	8.9
140.00186	2.0
140.07069	2.0
140.08148	1.5
141.06938	1.6
142.02615	2.9
142.07776	4.7
142.09749	2.6
143.00166	4.4
143.03584	2.5
143.08563	10.6
146.99649	19.4
149.01225	2.4
149.06000	11.3
149.09627	6.4
150.06618	2.3
151.07539	53.5
152.07887	5.6
153.00705	4.8
156.09326	2.5
156.99973	2.7
157.05090	1.7
157.06482	21.5
157.10106	6.6
158.01279	3.2
158.99675	4.8
161.01219	15.1
162.99185	3.1
163.01843	3.3
165.00740	4.5
167.03401	3.6
167.06989	2.8
167.10640	10.0
168.07794	2.7
168.11331	6.7
169.03508	1.4
170.10915	3.6
170.99620	5.6
173.01257	1.5
177.00735	7.1
178.03873	1.5
179.02295	3.6
181.02859	10.1
185.00952	1.5
185.04416	7.2
185.06003	9.8
185.09340	1.8
185.11702	11.6
185.13326	15.4
186.07579	2.8
189.00734	4.3
194.05193	1.5
201.00706	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0604
Annotation	3-Hydroxy-4-hydroxymethyl-2-methylpyridine-5-carboxylate
Peak:m/z	Relative Intensity
55.01879	1.6
55.05509	0.8
56.05039	1.0
56.96565	16.1
57.03436	2.1
59.06140	0.6
60.04526	0.5
60.95861	0.7
61.02927	1.5
65.03932	1.9
65.67787	0.4
67.05510	1.4
68.05022	0.8
69.03427	2.6
69.07074	0.8
70.06597	1.5
70.11315	1.3
71.01342	0.6
71.05003	0.7
71.06120	1.3
71.95256	0.7
72.04514	0.6
73.02914	4.4
74.97613	0.9
79.05484	0.9
80.05010	0.8
80.94976	0.5
81.03432	1.7
81.04520	0.5
81.07069	1.0
82.06567	0.8
82.99860	0.4
83.00803	0.9
83.04989	0.7
83.06094	1.3
84.04508	1.2
84.08130	0.8
84.96053	0.8
85.02902	3.8
86.06060	3.5
86.09705	3.2
87.04483	0.6
89.00793	1.0
90.01556	1.0
91.00520	0.7
91.05490	3.4
92.01286	1.5
92.05016	0.8
95.04979	2.5
95.06097	1.3
96.01518	0.5
96.04491	0.9
96.05313	1.2
96.08121	0.7
97.02888	2.8
97.07677	1.2
98.01308	1.2
98.06058	0.6
98.97581	6.6
98.98239	0.6
98.98467	0.6
99.04444	0.7
100.01033	0.5
100.07619	0.4
101.00852	4.4
101.02387	0.5
101.95019	3.0
102.05566	0.6
102.96882	0.7
105.03358	0.5
107.01823	0.7
107.04957	10.7
107.08588	0.8
108.04533	0.5
108.05260	0.7
109.02879	1.3
109.07635	1.1
110.01278	3.1
110.06049	1.7
110.07190	0.6
110.97559	1.4
111.04432	0.9
111.05550	0.6
111.09134	0.6
112.01022	1.5
113.07148	0.5
115.03361	1.0
115.97872	0.6
116.98628	6.0
118.01018	2.0
118.03568	0.5
119.01912	60.8
119.04893	3.1
119.51991	0.5
119.96060	2.0
119.98258	0.4
120.02010	1.8
120.04456	3.0
120.97948	2.1
121.01546	1.9
121.02876	0.7
122.06046	0.8
123.04469	1.2
124.03944	0.9
124.04790	1.5
124.07587	1.6
124.08585	0.6
124.99175	0.4
124.99989	1.4
125.07095	1.4
125.09526	0.4
127.01510	0.9
127.03926	1.4
127.08685	0.7
128.02321	6.8
128.07094	0.5
128.52545	0.5
128.98619	2.6
131.00197	0.7
131.01807	0.8
133.01567	1.7
133.03401	0.4
134.03090	0.4
134.99655	6.8
136.08669	0.6
137.02956	36.1
137.97130	3.0
137.99292	0.4
138.03062	1.6
138.05484	5.2
138.06459	0.4
138.09103	0.5
138.98972	3.2
139.01494	2.6
139.03899	0.7
139.08618	0.9
139.53102	1.0
140.00214	0.7
141.06601	0.6
142.03494	15.2
142.09694	0.6
143.00140	1.3
143.01886	1.4
143.03725	1.8
144.98058	1.0
145.01547	2.0
145.51643	0.5
146.99643	4.7
148.02023	2.1
148.03925	61.3
149.01170	1.0
149.04285	1.1
149.05971	0.8
150.97914	0.4
151.07500	1.5
152.07085	0.4
153.00679	1.0
154.02051	2.0
155.98138	2.1
156.03438	0.9
156.07573	0.6
156.11305	2.0
156.13884	0.5
156.99979	0.8
158.99638	1.2
160.04556	7.5
161.01208	4.6
161.02937	7.2
161.04825	2.4
162.99165	2.7
163.02608	1.3
165.00706	0.9
165.03917	0.6
165.05153	0.8
166.04993	100.0
167.05354	1.8
167.08151	0.7
170.99661	0.7
173.01299	0.4
174.24837	0.5
174.73750	0.4
175.02661	0.8
175.04411	0.5
177.00703	2.2
179.02289	1.4
179.03983	10.3
179.05518	0.8
180.04031	0.7
181.00125	1.2
183.97585	0.8
184.04659	1.1
184.06020	18.3
184.07382	2.2
184.09589	2.5
184.11006	4.3
184.13239	0.7
185.04503	0.7
189.00677	1.3
201.00728	1.0
202.05499	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.1539
Annotation	(+)-Myrioxazine B
Peak:m/z	Relative Intensity
53.03946	0.6
55.01859	1.0
55.05507	4.2
56.96566	0.4
57.03430	0.8
57.07053	1.6
58.02961	22.0
58.06584	0.6
67.05505	14.9
69.07069	46.7
70.06596	1.3
70.51250	1.7
74.06081	1.1
79.05492	4.3
81.07056	14.1
83.04984	1.2
83.08620	6.2
84.08141	7.3
86.06063	1.2
91.05469	3.8
93.07048	7.4
95.04952	2.0
95.08601	4.9
97.06524	2.9
98.06046	1.0
98.09695	2.0
98.97575	2.0
98.98489	0.5
99.97917	0.8
100.07629	5.3
105.06387	0.8
105.07043	11.7
107.07865	0.9
107.08597	14.1
108.08123	0.6
108.08836	0.6
109.06523	1.7
109.10159	37.2
110.10459	1.0
112.07598	1.6
114.08402	0.8
114.09166	12.5
116.98649	2.4
117.98943	1.2
119.08571	1.2
121.10140	2.0
122.73064	0.5
123.04421	1.0
123.08082	0.5
123.11709	6.8
126.09164	10.5
126.12798	1.4
133.10133	24.5
134.10504	0.6
134.99641	1.9
135.11699	13.7
136.07611	0.6
137.13303	1.1
138.12788	15.4
140.10715	1.3
140.14346	1.0
147.11664	4.6
151.11183	9.7
153.00658	0.7
153.12749	11.4
154.15913	1.1
164.14328	2.4
165.12746	1.7
182.15410	100.0
183.15793	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	183.0651
Annotation	Methyl isovanillate
Peak:m/z	Relative Intensity
51.02385	1.0
53.03943	11.6
54.39641	0.4
55.01875	2.3
56.05014	0.5
56.12315	0.5
56.12615	0.4
58.00385	0.4
59.04982	0.4
59.06116	1.7
65.01089	0.4
65.03932	3.8
66.85292	0.5
67.05499	8.3
68.59277	0.4
68.99756	0.4
69.03424	0.8
70.06578	0.6
70.21735	0.4
70.58364	0.4
71.58649	0.9
72.79037	0.4
77.03921	1.9
79.05495	0.8
81.03422	1.6
81.07051	1.4
83.06105	0.4
85.02908	0.5
85.06538	0.6
87.30000	0.5
91.05454	1.2
93.03387	0.5
93.07047	0.7
95.04962	100.0
95.08594	1.6
96.05283	1.1
97.02911	0.9
97.07607	0.6
98.98457	1.9
105.03406	2.8
105.04505	5.2
105.07020	0.7
107.08596	0.7
108.02064	0.7
109.06523	0.7
109.07640	1.0
109.10190	0.8
110.03654	1.0
111.04436	1.0
113.05988	0.6
119.01904	0.8
119.08578	2.2
121.03947	0.8
123.04417	91.2
123.08050	2.3
124.04751	0.9
124.08705	0.8
125.02355	3.4
125.06065	0.7
125.07100	1.4
133.02844	0.8
137.02344	0.6
137.05956	1.7
137.09657	0.9
140.04674	32.2
141.05348	0.5
147.08044	1.1
153.05469	0.9
155.07019	27.3
165.04370	0.6
165.09053	1.5
166.09691	1.1
168.07309	0.7
183.06509	9.7
183.08014	1.0
183.10016	1.4
183.11514	0.7
201.35091	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1222
Annotation	Nortricycloekasantalic acid
Peak:m/z	Relative Intensity
55.05513	1.5
56.96570	6.4
57.07077	15.0
59.05007	1.3
67.05490	2.1
69.07080	1.6
69.75201	8.9
79.05494	8.0
81.03426	3.6
81.07054	2.7
83.04981	35.6
83.08639	1.3
83.39119	1.3
89.03908	10.8
91.05434	1.6
93.07030	3.9
95.04964	10.7
97.06529	19.5
98.21465	2.5
98.97578	19.4
105.07002	2.5
107.04955	6.6
107.08598	8.0
111.04458	3.1
116.98612	27.6
117.03365	12.4
119.08602	1.5
121.06495	3.3
121.10151	6.2
125.05985	53.3
129.19778	1.0
129.80675	1.3
129.92204	1.2
133.73134	1.3
134.99643	47.7
135.04414	30.7
135.08028	1.9
135.11697	4.3
139.03851	1.7
140.00232	4.3
145.02841	18.9
145.10147	6.5
147.93851	1.2
153.00699	13.1
158.01259	16.4
163.03905	100.0
163.11180	58.7
164.04225	3.7
164.11510	1.3
176.02322	3.6
181.02792	3.2
181.04974	3.4
181.06422	2.6
181.08627	1.7
181.12216	26.4
181.15784	1.2
182.00885	1.4
186.05511	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.0812
Annotation	D-Tyrosine
Peak:m/z	Relative Intensity
53.03922	1.2
55.01866	1.5
55.05504	1.2
56.05043	0.6
56.96565	4.6
57.03432	0.7
59.06119	1.2
64.56149	0.4
65.03932	1.3
67.05510	2.1
68.05019	1.8
69.03415	2.0
69.04497	0.4
69.07064	1.0
70.06592	1.2
71.06122	0.7
71.50027	0.6
72.04514	0.9
73.02930	0.5
74.02426	1.7
78.95258	0.6
79.05485	1.5
80.05008	2.1
80.05804	0.5
81.03397	1.7
81.04544	0.5
81.07044	1.9
82.06584	0.8
83.04993	0.6
83.06098	1.5
84.04508	1.0
85.02885	1.2
86.06071	1.1
90.04264	0.7
91.05482	27.1
92.05810	1.3
93.07037	1.1
94.04202	0.5
94.06573	1.7
95.04964	11.1
95.06072	1.5
95.08613	1.1
96.04494	0.9
96.05284	0.5
96.08122	1.3
97.02882	1.4
97.07655	1.4
98.06054	1.1
98.97587	4.5
98.98470	1.6
99.04459	0.5
99.97083	0.4
99.97903	1.3
103.05463	1.3
105.03386	1.6
105.04516	0.7
105.07028	0.6
107.04967	1.9
107.06099	0.7
107.08595	0.7
108.04467	1.7
108.05182	0.8
108.08131	1.5
109.02886	1.0
109.06569	2.5
109.07668	1.5
109.10153	0.8
110.06016	1.0
111.04471	2.4
111.05551	0.5
113.05946	0.6
113.07175	0.5
116.98618	7.1
117.98979	2.9
118.01048	0.5
118.03668	0.7
118.06549	3.0
119.01932	1.9
119.04943	30.6
119.08521	1.1
120.05265	0.6
121.06525	0.9
122.06013	1.7
122.07123	1.4
123.04436	16.7
123.05508	1.6
123.08116	0.8
123.09121	0.4
124.07594	2.6
124.08651	0.5
125.02306	0.6
125.05948	0.5
125.07153	1.1
126.05486	0.5
131.01872	0.5
133.02844	1.4
133.06534	0.6
134.99658	12.7
135.56964	0.9
135.99109	0.8
136.00009	5.1
136.03908	2.5
136.04799	1.9
136.07579	100.0
136.99174	0.5
137.03036	0.6
137.04854	0.7
137.05963	2.2
137.06911	0.6
137.07936	1.3
137.09616	0.9
138.05492	0.6
139.03929	1.6
139.08708	0.6
140.00124	0.4
140.03484	0.5
140.04691	1.6
140.07101	0.9
140.08168	2.0
141.01857	0.6
141.05522	0.6
141.06554	0.7
142.03552	0.9
143.01909	0.6
146.03210	1.9
147.04398	4.8
150.05469	3.1
151.03915	0.9
152.06993	0.8
153.00710	3.7
153.05453	2.8
154.01082	1.7
154.04933	0.7
154.08646	2.1
155.07025	1.4
158.01265	1.8
158.99730	0.4
159.01602	0.7
160.04596	1.1
161.03043	0.5
161.04478	0.7
164.04384	5.8
164.05685	0.8
164.07083	3.3
164.08235	1.2
165.01849	0.7
165.04163	0.8
165.05470	9.4
165.09174	0.5
166.09798	0.5
166.98618	0.5
167.03415	0.9
169.88116	0.5
170.05057	0.4
177.00740	1.3
178.05620	0.4
181.04968	3.9
182.00980	1.5
182.04482	6.8
182.05794	3.9
182.08026	9.6
182.09247	1.4
182.11432	0.6
182.12907	0.9
183.02930	0.7
183.06509	1.0
183.08124	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1221
Annotation	Jasmololone
Peak:m/z	Relative Intensity
53.03983	2.3
55.01915	2.9
55.05547	2.0
56.96367	0.7
56.96608	2.8
57.06818	1.0
57.07074	18.7
59.05030	2.0
65.03976	1.7
67.05547	2.3
69.03458	1.2
69.07114	3.2
71.05011	1.1
71.62050	0.7
71.62430	1.2
75.04523	2.8
78.04750	1.2
78.38803	0.8
79.05486	9.9
81.03412	5.2
81.07066	4.6
81.28477	0.7
83.04976	39.6
84.05353	0.9
85.02937	1.3
89.03910	14.1
91.05478	16.9
93.03412	4.2
93.07035	13.9
95.04968	20.9
95.08640	1.4
97.06522	23.2
98.97581	15.1
98.98189	1.0
103.05458	9.2
103.06011	0.7
105.04522	1.5
105.07038	3.7
106.04179	5.4
107.04956	8.2
107.08589	8.7
109.06551	2.2
111.04453	1.7
111.08073	1.5
116.98615	15.1
117.03376	12.9
117.04127	1.0
117.07053	1.6
117.12414	0.7
119.04938	1.6
119.08615	2.0
121.06496	31.0
121.07351	1.6
121.10133	8.8
122.07165	1.2
123.04491	0.9
123.08079	1.6
125.05989	63.5
134.03638	2.0
134.99657	16.1
135.04411	36.7
135.08028	1.5
135.11673	5.3
136.04761	1.3
137.05981	3.1
138.06709	1.1
139.03905	1.4
139.07549	1.8
140.04666	1.6
143.08594	0.7
145.02840	18.9
145.03987	1.1
145.10126	7.7
146.03203	0.9
148.05241	1.2
149.05975	20.4
149.07111	1.3
153.00745	2.6
153.05525	1.0
153.09085	5.6
158.01244	2.7
163.03905	100.0
163.07523	2.4
163.11177	66.1
164.04263	4.5
164.11560	2.8
166.06157	0.8
167.07066	1.8
181.05006	4.5
181.08650	11.8
181.12215	30.4
182.09116	0.7
182.12552	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1222
Annotation	Nortricycloekasantalic acid
Peak:m/z	Relative Intensity
50.70317	1.1
53.03927	1.2
55.05511	1.6
56.96552	3.4
57.07073	29.0
59.04993	2.8
59.09649	1.0
60.74426	0.9
67.05493	1.3
69.07054	3.6
69.30766	12.9
79.05491	9.5
81.03419	5.2
81.07042	4.9
83.04978	58.6
89.03908	8.2
91.05476	3.2
93.07038	6.3
95.04971	16.6
95.08580	1.7
97.06524	31.4
98.97580	18.8
105.07005	5.2
107.04942	5.9
107.08602	8.4
116.98622	23.2
117.03389	7.3
117.07004	1.2
119.08587	3.1
121.06490	5.0
121.10145	9.1
122.16776	1.0
125.05989	95.4
134.99658	26.2
135.04416	14.9
135.11658	5.4
139.52348	1.3
140.00162	3.2
145.02829	10.8
145.10120	12.1
153.00688	5.3
158.01262	8.5
163.02531	2.6
163.03908	53.9
163.11172	100.0
164.04280	2.0
164.11543	2.2
176.02344	1.7
181.05002	1.9
181.12231	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	181.1222
Annotation	Nortricycloekasantalic acid
Peak:m/z	Relative Intensity
53.03935	2.0
55.01856	1.1
55.05503	2.5
56.96553	4.0
57.07071	28.8
59.04984	1.9
69.03425	2.1
69.07052	3.7
69.66182	5.4
69.66589	2.8
71.40790	1.2
71.98805	1.1
79.05494	9.6
81.03408	7.2
81.07037	4.5
83.04974	52.0
85.06582	1.2
87.34479	1.1
89.03908	5.7
91.05478	2.4
93.07034	7.6
95.04965	20.1
97.05908	2.0
97.06522	28.7
98.06834	1.2
98.20808	1.7
98.97573	18.3
105.07016	4.6
107.04945	10.2
107.08595	8.4
111.04395	1.6
116.98607	21.5
117.03394	8.1
117.07015	2.0
119.08566	3.2
121.06476	3.1
121.10150	10.1
125.05985	91.6
126.06353	1.9
130.07762	2.0
134.99640	31.4
135.04399	25.0
135.11638	5.5
139.67624	1.0
140.00163	4.4
141.25362	1.1
145.02835	11.6
145.10100	8.0
153.00684	7.0
158.01245	10.6
163.03891	66.1
163.11169	100.0
164.04256	1.7
164.11531	3.1
181.02739	1.6
181.04961	3.2
181.12218	39.3
184.30594	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0858
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03985	1.8
55.01920	2.8
55.05552	1.3
56.96370	0.5
56.96612	1.7
57.03473	0.8
57.07078	9.2
59.05037	0.6
63.02436	0.5
65.03954	2.1
67.05492	2.0
69.03460	0.9
69.07117	1.7
70.10006	2.0
71.95349	0.4
75.04485	2.6
77.03962	0.8
78.04742	0.9
79.05495	6.9
79.68086	0.4
81.03424	2.3
81.07052	3.1
83.04980	16.9
85.02919	0.6
85.06582	0.6
89.03916	11.4
91.05482	16.2
93.03404	3.3
93.07051	12.7
95.04968	13.6
95.06085	0.4
95.08653	1.6
97.02939	0.5
97.06532	11.2
97.07655	0.7
98.97581	10.5
103.05464	9.2
105.03438	0.5
105.04553	1.4
105.07024	2.9
106.04178	5.0
107.04961	7.8
107.08602	5.4
109.06565	1.7
109.10137	0.5
110.07272	0.7
111.04465	2.1
111.08102	0.6
114.10009	0.4
116.98627	15.5
116.99426	0.8
117.03381	14.7
117.07076	0.5
119.04968	1.3
119.08616	1.3
121.06506	28.5
121.10146	5.3
122.07170	1.7
123.04475	0.9
123.05641	0.4
123.08106	1.6
124.05238	0.5
124.08753	0.5
125.05992	28.7
127.07614	0.6
130.07805	0.7
130.67706	0.5
131.06035	0.7
134.03595	2.8
134.99661	17.0
135.04416	32.4
135.08109	1.0
135.11693	3.5
136.07611	1.6
136.08702	0.5
137.05991	3.2
138.06767	1.5
139.03938	0.7
139.07541	1.2
140.00175	1.2
140.08183	0.6
145.02847	20.0
145.10129	4.6
147.04549	0.4
148.05229	1.2
148.33417	0.4
149.02362	0.6
149.05980	23.0
151.03900	0.4
151.07596	0.9
151.11171	0.5
152.08246	0.5
153.00705	3.6
153.09102	5.1
158.01260	2.7
163.03906	100.0
163.07532	2.8
163.11172	31.5
164.04265	2.9
164.07004	1.0
164.11583	0.5
166.06163	0.7
167.07007	0.7
176.02402	0.4
181.05078	3.5
181.08617	12.3
181.12222	14.6
181.15700	0.5
186.05457	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0858
Annotation	Coniferyl alcohol
Peak:m/z	Relative Intensity
50.01631	0.6
51.47665	0.5
53.03941	2.9
55.01868	7.6
56.96556	2.8
57.03437	0.7
57.07066	0.7
58.58961	0.5
63.02378	0.5
65.03947	2.2
67.05527	0.5
69.03452	0.8
69.07095	0.6
70.65381	1.4
70.65770	1.3
72.27747	0.5
77.03941	0.7
79.05496	8.1
79.61198	0.5
81.03427	1.0
81.07085	1.3
83.05002	0.7
85.02894	0.8
87.11585	0.7
89.03917	13.0
91.05474	15.5
91.06009	1.0
93.03398	1.0
93.07037	14.5
95.04970	7.3
97.02907	2.7
97.06554	0.7
98.97580	15.4
98.98186	1.1
102.23724	0.6
103.05463	28.8
105.04536	1.3
105.07037	3.7
107.04954	15.2
107.08597	1.8
110.03657	3.7
111.04438	2.4
111.08082	0.7
116.98613	18.4
117.03377	16.4
119.04955	2.5
121.02961	0.8
121.06501	55.8
121.10148	1.5
122.06981	1.1
123.04456	0.8
123.08130	0.7
125.02342	17.9
125.05956	1.9
131.04900	5.7
134.99651	19.4
135.00655	1.1
135.04411	37.0
135.08037	7.3
135.11687	0.6
136.04768	0.6
137.06001	3.4
138.03152	2.5
139.03883	2.0
140.04681	95.7
141.05025	1.0
145.02838	17.2
149.05975	38.6
150.06329	0.8
153.00685	3.6
153.05460	33.8
158.01256	3.0
163.03902	100.0
163.07486	3.5
163.11212	1.8
164.04266	3.3
166.06247	2.3
181.05136	3.8
181.08583	30.5
181.12196	1.5
182.08810	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0858
Annotation	Coniferyl alcohol
Peak:m/z	Relative Intensity
53.00319	0.5
53.03939	1.9
55.01870	6.6
56.96555	1.4
63.02391	0.6
65.03947	1.7
67.05488	0.7
69.03448	0.5
70.89297	1.3
77.03918	0.7
79.05494	5.6
81.03421	0.8
81.07074	0.6
82.04199	0.6
83.06098	0.5
89.03399	1.0
89.03916	13.4
91.05475	11.2
92.05787	0.9
92.06313	0.7
93.03400	1.1
93.07042	11.1
95.04972	4.7
97.02888	1.8
98.97581	10.1
103.05469	17.8
105.07037	2.5
107.04951	10.7
107.08581	1.0
110.03639	2.8
111.04453	1.8
116.98617	11.0
117.03376	17.9
118.03750	0.5
119.04957	1.8
120.05771	0.6
121.06500	38.5
121.10125	1.1
122.07008	0.6
123.01557	0.6
123.08076	0.7
124.74835	0.5
125.02350	13.9
125.06033	0.6
126.86710	0.6
131.04924	3.1
134.99661	9.4
135.04410	37.5
135.08022	4.7
135.11826	0.5
137.05995	2.3
138.03088	1.0
139.03882	1.2
139.58247	0.4
140.04681	64.7
141.05025	0.9
145.02843	19.8
145.10156	0.5
147.04388	0.6
149.05981	27.9
151.07443	0.5
153.00722	2.1
153.05463	22.2
153.09055	0.8
156.72554	0.5
158.01247	1.5
163.03903	100.0
163.07518	3.2
163.11166	1.2
164.04259	2.0
166.06201	1.3
181.05096	2.5
181.08600	19.2
181.12186	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0494
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.4
55.01867	0.4
56.96556	0.6
63.02374	0.4
65.03931	0.4
69.86941	0.8
69.87357	0.4
79.05490	2.5
81.03426	0.2
81.07018	0.2
89.03909	12.3
90.04221	0.3
91.05494	1.2
93.03400	0.4
93.07030	0.6
95.04962	0.8
97.06540	0.2
98.97575	4.0
107.04943	4.7
107.08596	0.3
111.04436	0.8
111.08014	0.2
116.98615	5.0
117.03370	15.4
118.03734	0.2
119.04932	0.7
121.06521	0.4
121.10154	0.4
125.05990	0.3
134.99649	4.3
135.04407	34.5
136.04765	0.8
137.05981	0.2
139.00551	0.2
139.03896	0.6
140.04623	0.2
145.02837	20.3
146.03197	0.6
153.00693	0.7
153.05441	0.3
158.01241	0.7
158.06007	0.4
163.03893	100.0
164.04237	2.1
181.04985	1.3
181.08574	0.4
181.12201	0.4
186.05556	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0494
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78259	0.2
53.03961	0.2
55.01864	0.4
56.96576	0.6
63.02388	0.3
65.03944	0.3
66.06513	0.2
67.05505	0.3
69.54051	2.2
79.05489	2.4
81.07056	0.4
81.46581	0.2
89.03916	12.6
91.05488	1.4
93.07044	0.8
95.04965	0.9
97.06487	0.3
98.97580	4.4
103.05489	0.6
107.04958	5.3
107.08647	0.3
109.10212	0.2
111.04443	0.7
116.98621	5.0
117.03377	16.4
118.03742	0.2
119.04902	0.4
121.06477	1.4
121.10130	0.3
123.08036	0.3
125.02298	0.4
127.86758	0.3
128.89455	0.3
134.99666	3.5
135.04413	35.0
136.04739	0.6
137.06094	0.3
139.03903	0.6
140.00201	0.3
140.04700	1.4
145.02846	20.6
146.03175	0.8
149.05945	1.2
153.00726	0.6
153.05487	0.7
158.01237	0.5
163.03900	100.0
164.04231	2.5
172.31384	0.2
181.05031	1.2
181.08574	0.9
186.05496	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0495
Annotation	Caffeic acid
Peak:m/z	Relative Intensity
52.83596	0.3
56.96542	0.4
59.71433	0.2
65.03937	0.2
69.61352	1.9
79.05480	2.1
83.38658	0.3
89.03915	11.1
91.05477	1.5
95.04964	0.8
97.93518	0.3
98.97585	3.3
103.05441	0.3
107.04954	4.3
107.36486	0.3
111.04433	0.5
116.34115	0.3
116.98630	2.8
117.03375	14.4
118.03702	0.5
119.04919	0.9
121.06484	0.5
134.99655	1.7
135.04414	30.0
136.04779	0.4
137.05977	1.5
139.03886	0.6
145.02841	18.3
146.03185	0.8
151.07497	0.6
162.26189	0.3
163.03902	100.0
164.04213	2.4
181.04951	1.0
181.08632	0.3
186.05505	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0494
Annotation	Caffeic acid
Peak:m/z	Relative Intensity
53.03930	0.3
56.96564	2.9
63.02367	0.4
70.07742	0.6
70.08150	0.7
71.95277	0.4
79.05487	2.6
89.03913	13.0
91.05485	0.8
93.03381	0.3
95.04963	0.9
98.97578	17.8
107.04955	5.0
107.05686	0.2
111.04439	0.9
111.75684	0.2
116.98613	20.2
117.03372	15.2
118.03686	0.4
121.10139	0.3
125.06035	0.3
134.99657	14.1
135.04407	32.7
136.04742	0.5
139.03877	1.2
140.00168	1.7
145.02835	19.4
146.03152	0.3
153.00703	2.4
158.01257	2.7
158.06046	0.4
163.03891	100.0
164.04242	2.6
176.02277	0.3
181.02887	0.2
181.03442	0.2
181.04947	1.4
181.12206	0.4
186.05490	0.9
192.08900	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0495
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32834	0.4
55.05515	0.4
56.96329	0.4
56.96566	4.7
57.07072	0.4
64.94953	0.3
65.03919	0.4
70.90710	0.8
71.95260	1.0
79.05489	2.8
79.79769	0.3
81.07044	0.7
83.04989	0.6
89.03920	12.2
91.05468	1.1
93.07021	0.8
95.04964	1.0
97.06542	0.6
98.97589	33.5
107.04280	0.6
107.04952	6.0
107.08590	0.5
111.04430	1.3
116.98627	39.9
117.03383	14.7
117.04636	0.4
119.04951	0.5
121.10167	0.6
125.06042	1.6
134.99667	38.2
135.04422	31.1
135.05228	0.6
135.11656	0.6
136.04773	0.9
139.03876	1.3
140.00191	4.8
145.02856	18.2
145.10146	0.4
149.02336	0.3
153.00726	8.6
158.01268	8.7
158.06036	0.5
163.03912	100.0
163.11121	1.7
164.04233	2.9
176.02319	1.9
181.02873	0.8
181.04950	1.0
181.06418	0.4
181.08539	0.5
181.10217	0.4
181.12180	1.8
181.15875	0.4
186.05490	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0494
Annotation	Caffeic acid
Peak:m/z	Relative Intensity
50.75597	0.3
56.96548	0.4
60.26096	0.4
63.02349	0.5
69.89129	2.3
69.89476	0.6
79.05489	2.2
89.03911	10.8
89.04472	0.5
90.65231	0.3
91.05473	1.1
93.03394	0.6
95.04961	1.3
95.21375	0.4
95.37199	0.3
98.20762	0.4
98.97582	3.5
102.95403	0.4
107.04955	4.6
111.04422	0.5
116.98618	3.1
117.03369	14.3
134.99687	1.7
135.04408	29.5
136.04733	0.6
139.03853	0.7
145.02841	20.7
146.03194	0.7
149.02286	2.0
153.00684	0.5
156.67017	0.3
158.01187	0.4
163.03897	100.0
164.04240	2.8
181.04958	1.3
181.08580	0.5
199.34451	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0494
Annotation	Caffeic acid
Peak:m/z	Relative Intensity
63.02383	0.5
66.52842	0.3
67.94821	0.3
69.27979	2.7
69.28391	1.1
72.49158	0.3
77.03934	0.4
79.05496	3.2
88.90414	0.3
89.03915	15.6
90.04272	0.4
90.70429	0.3
91.05484	1.6
91.05946	0.3
93.03369	0.5
93.07064	0.6
95.04961	0.8
98.20654	0.5
101.46789	0.3
107.04958	5.9
111.04434	1.0
117.03373	19.0
119.03947	0.3
119.04878	0.4
120.24798	0.3
121.06505	0.5
125.37974	0.3
134.99684	0.4
135.04413	38.1
136.04686	0.6
139.03894	1.0
145.02843	22.3
149.05971	0.4
163.03900	100.0
164.04222	1.9
181.04965	0.9
186.05460	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0494
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11549	0.2
55.01866	0.3
56.96551	1.2
60.38587	0.2
60.96538	0.3
62.78873	0.2
63.02369	0.4
66.74580	0.3
69.89479	0.5
69.89893	1.1
74.47585	0.3
79.05491	2.1
89.03913	12.9
91.05479	1.7
93.07026	0.6
95.04957	1.3
98.97575	6.6
103.05453	0.6
103.61247	0.3
107.04241	0.2
107.04952	5.2
111.04441	0.9
116.98618	6.7
117.03377	14.5
118.03725	0.4
119.04944	0.6
121.06488	0.7
127.01712	0.3
134.99672	5.1
135.04411	35.1
136.04759	0.8
137.05969	1.0
139.03908	0.8
140.04634	0.3
145.02841	19.2
146.03139	0.3
149.05966	1.0
153.00702	1.2
158.01251	0.6
163.03899	100.0
164.04251	2.3
181.04965	1.6
181.08594	0.6
181.12263	0.3
186.05463	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0495
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39713	0.3
56.96571	2.0
63.02386	0.3
70.03245	1.8
77.11576	0.4
79.05496	2.7
83.04978	0.3
89.03923	12.3
91.05482	0.9
95.04971	0.6
98.97588	14.6
107.04954	5.4
111.04449	0.8
116.98625	13.9
117.03383	15.8
119.04940	0.4
130.72342	0.3
134.22034	0.3
134.98624	0.6
134.99658	10.6
135.04420	34.2
136.04718	0.5
137.02667	0.3
139.03856	0.7
140.00195	1.8
145.02856	19.6
146.03210	0.5
153.00711	1.6
158.01270	2.5
161.58548	0.3
163.03906	100.0
164.04185	2.1
167.60402	0.3
174.25638	0.3
176.02330	0.6
181.04991	1.1
181.12228	0.4
186.05540	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0494
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.3
55.01866	0.3
56.96564	0.8
63.02375	0.6
65.03952	0.3
65.38844	0.3
69.07059	0.3
69.72541	0.5
69.72951	1.2
73.70776	0.2
78.99920	0.2
79.05493	2.2
81.07066	0.4
83.04994	0.3
83.06136	0.3
89.03910	12.8
91.05482	1.1
92.76014	0.3
93.03405	0.4
93.07045	0.7
94.70332	0.2
95.04961	1.1
95.06033	0.2
95.08633	0.4
97.06535	0.4
98.96927	0.4
98.97575	6.6
98.98186	0.4
107.04950	5.6
107.08606	0.7
110.08649	0.3
111.04435	0.8
116.98618	8.4
117.03371	15.8
118.03732	0.3
118.86809	0.2
119.04942	0.5
121.06548	0.6
121.10142	0.8
122.07177	0.3
123.04448	0.8
123.08128	0.4
125.06009	0.4
134.99658	5.5
135.04407	36.4
135.11650	0.3
136.04742	0.7
137.06030	0.3
139.03900	1.0
139.11188	0.3
140.00209	0.3
145.02837	22.4
145.10135	0.5
146.03180	0.4
149.05927	0.3
153.00699	1.2
158.01270	0.8
163.03894	100.0
163.11166	0.9
164.04274	2.2
181.04970	1.2
181.08572	0.6
181.12210	0.8
186.05528	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0493
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.3
56.07027	0.3
58.40858	0.3
59.33014	0.3
59.84401	0.3
62.70777	0.3
63.02391	0.5
65.03934	0.5
69.49722	1.0
69.50152	1.5
79.05505	2.1
88.24341	0.3
89.03910	12.3
90.91129	0.3
91.05463	1.0
92.69276	0.3
93.07042	0.3
95.04970	0.9
95.08633	0.3
96.11471	0.3
98.53905	0.3
98.97561	0.6
107.04948	5.1
107.08605	0.3
111.04445	0.7
116.98611	1.2
117.03373	15.9
118.03601	0.3
121.10186	0.3
134.99673	0.8
135.04408	34.5
136.04739	0.4
137.05942	0.3
139.03914	0.4
139.11209	0.4
142.41466	0.3
145.02843	20.5
146.03143	0.5
163.03896	100.0
164.04228	2.1
181.04922	1.1
181.12154	0.4
184.07472	0.3
186.05429	0.5
190.73831	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0495
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.3
54.76764	0.2
55.05479	0.2
55.55176	0.2
56.96566	2.5
63.02386	0.5
65.03966	0.4
68.47549	0.2
70.04443	0.9
71.95253	0.4
77.34887	0.2
79.05488	3.0
83.04981	0.4
89.03916	13.1
91.05486	0.8
93.03374	0.2
93.07063	0.6
95.04981	0.7
98.97581	13.9
107.04952	5.0
111.04430	0.8
116.98618	18.2
117.03376	16.5
118.03711	0.3
119.04950	0.2
121.10132	0.6
125.06036	0.6
134.99660	13.4
135.04411	34.6
135.11710	0.3
136.04716	0.8
139.03920	0.7
140.00185	1.5
145.02843	20.3
146.03168	0.7
153.00699	2.7
158.01245	2.9
163.03897	100.0
163.11168	0.6
164.04236	2.6
172.62135	0.3
176.02385	0.5
181.02707	0.2
181.04942	1.2
181.12213	1.0
186.05551	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0494
Annotation	Caffeic acid
Peak:m/z	Relative Intensity
58.20386	0.4
59.77510	0.4
61.85505	0.4
70.08014	1.4
72.50903	0.4
79.05488	2.3
89.03918	13.7
90.04237	0.5
90.71027	0.4
91.05461	1.3
98.20815	0.5
98.86275	0.4
107.04942	5.3
110.28484	0.4
111.04429	1.3
117.03378	17.3
132.00586	0.4
134.03473	0.3
135.04417	34.6
136.04749	0.7
139.03926	0.8
145.02850	20.9
157.44650	0.5
163.03905	100.0
164.04257	1.5
181.04942	0.7
183.83739	0.4
186.05501	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0494
Annotation	Caffeic acid
Peak:m/z	Relative Intensity
53.03937	0.2
56.96560	1.6
63.02387	0.5
65.03950	0.3
65.83495	0.2
79.05492	2.5
83.89063	0.2
89.03915	12.0
91.05481	0.8
93.03381	0.2
95.04971	0.4
95.33931	0.2
98.97581	10.1
107.04949	5.1
111.04439	1.1
116.98621	10.3
117.03375	13.9
117.96970	0.2
118.03764	0.3
119.04945	0.4
130.52502	0.2
134.99664	6.5
135.04411	32.8
136.04750	0.8
139.03909	0.9
140.00125	1.1
145.02843	20.2
146.03145	0.5
149.84294	0.2
153.00734	0.9
158.01340	1.1
158.06021	0.2
163.03899	100.0
164.04243	2.6
176.02295	0.3
181.04959	0.8
181.12250	0.4
186.05504	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0495
Annotation	cis-2,4-Dihydroxycinnamic acid
Peak:m/z	Relative Intensity
53.00317	0.2
53.03923	0.2
56.65905	0.2
56.96562	2.0
57.37356	0.2
61.98823	0.2
63.02379	0.5
65.03947	0.3
67.05483	0.4
67.53422	0.2
70.08035	1.2
71.95282	0.2
73.06550	0.6
79.05486	2.6
81.07043	0.7
83.04977	0.3
87.04482	0.4
89.03915	11.9
90.04242	0.4
91.05468	1.2
93.03414	0.4
93.07023	1.4
95.04951	0.8
95.08592	0.7
97.06535	0.3
98.97581	14.5
101.06021	2.1
107.04956	4.5
107.08609	0.3
111.04459	1.1
116.98614	15.8
117.03375	15.6
118.03752	0.3
119.04921	0.4
121.02866	4.8
121.10137	3.9
125.05974	1.0
132.97517	0.2
134.99658	12.5
135.04411	32.3
135.11513	0.2
136.04721	0.5
139.03883	0.7
140.00162	1.7
140.80888	0.2
145.02841	19.7
146.03183	0.8
149.09573	0.5
153.00706	2.4
158.01260	2.8
163.03897	100.0
163.11185	0.9
164.04245	2.3
176.02361	0.4
181.02921	0.3
181.04951	1.0
181.12225	4.3
181.15739	0.2
186.05496	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	180.1383
Annotation	Tecomine
Peak:m/z	Relative Intensity
55.05506	6.3
56.96567	1.9
60.41740	0.2
65.03934	0.4
67.04242	0.8
67.05503	0.4
68.05023	5.9
69.07058	2.2
69.84106	1.4
70.06596	0.4
72.04527	0.3
74.70973	0.2
79.05490	1.0
80.05006	0.5
81.05776	0.3
81.06614	0.2
81.07031	1.2
82.06573	3.1
83.08612	4.6
84.08107	0.2
89.03915	0.9
89.85368	0.2
91.05464	1.3
93.07018	1.3
94.06548	2.3
95.04952	0.4
95.08582	0.4
96.04487	0.3
96.08124	0.6
97.99204	0.3
98.06054	1.0
98.97577	5.8
105.07029	1.1
106.06532	0.5
107.04938	0.4
107.07327	1.1
107.08598	1.9
108.08092	0.3
110.06036	69.3
111.06389	0.9
112.07601	0.6
116.00192	0.4
116.98611	7.4
117.02587	0.2
117.03366	0.9
117.06985	0.3
119.04939	0.4
119.08578	0.7
120.08122	1.7
121.06472	0.6
121.10156	1.5
122.09648	1.3
124.07580	12.6
134.99646	5.0
135.04375	2.2
135.10365	0.2
137.05960	0.7
138.09108	0.4
138.12651	0.3
140.00212	0.5
145.02855	0.9
145.10104	0.4
147.11636	1.4
148.04701	0.5
148.11188	3.9
152.10684	0.6
153.00681	1.0
153.05507	0.3
158.01236	0.9
162.12790	1.5
163.03885	6.7
163.13559	5.2
165.05417	0.3
165.11449	0.3
180.13818	100.0
181.04860	0.4
181.08575	0.3
181.14174	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	181.0494
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66693	0.3
55.05504	0.5
56.41110	0.2
56.96567	2.0
62.47185	0.3
63.02366	0.4
65.03934	0.4
67.05491	0.4
70.78510	1.1
71.95245	0.4
72.85939	0.3
77.03906	0.3
79.05486	2.1
83.04976	0.4
88.93431	0.3
89.03911	10.0
91.05465	1.2
93.03400	0.4
93.07055	0.7
95.04971	0.7
95.08624	0.5
97.06522	0.3
98.97581	18.6
107.04950	4.5
107.08569	0.6
111.04430	2.4
111.08101	0.3
116.98612	17.1
117.03373	13.6
118.03706	0.3
121.10148	0.3
125.05972	1.2
134.99660	12.3
135.04408	31.3
135.08020	0.5
135.11678	0.8
136.04750	0.5
139.03894	0.9
140.00134	1.6
142.49730	0.3
145.02838	19.0
145.10110	0.6
146.03209	0.5
153.00717	2.2
158.01254	2.1
158.05882	0.3
163.03896	100.0
163.11151	0.7
164.04216	2.2
170.55956	0.3
176.02246	0.6
181.04988	0.4
181.12224	2.7
183.81100	0.3
186.05510	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	180.0867
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64353	0.7
53.03928	2.2
55.01629	0.8
55.01870	13.8
55.05507	5.5
56.05014	3.2
56.96564	98.2
57.03436	27.3
57.07052	1.1
58.96143	1.4
58.99840	1.9
59.05001	5.7
60.04501	3.4
60.05628	1.8
60.95860	5.9
61.02927	24.9
61.03242	1.3
65.03919	1.1
67.05492	3.2
68.02630	0.9
68.05009	1.1
69.03427	48.8
69.07052	2.6
69.95695	2.6
69.96100	2.1
70.03739	1.3
70.06592	8.4
70.98106	3.3
71.01340	3.8
71.04641	1.0
71.04993	12.6
71.95242	3.5
72.04504	4.1
72.08159	12.5
72.96030	1.1
73.02506	1.0
73.02916	18.2
73.06564	0.8
74.00240	1.6
74.06060	2.8
74.97585	2.8
75.01031	1.1
75.04450	1.3
75.98367	0.8
77.00826	4.8
77.91726	0.8
79.05486	3.8
80.04990	2.4
81.03420	13.0
81.07035	1.3
83.00797	9.8
83.01285	2.0
83.04984	7.0
83.06046	0.8
84.01534	3.6
84.04471	3.4
84.08144	20.9
84.96036	5.7
85.02903	100.0
85.06518	0.9
86.01273	2.2
86.03215	1.2
86.06037	1.2
86.09705	26.3
87.00836	1.0
87.04465	6.9
87.09991	0.8
88.01778	1.2
88.02657	0.9
88.04002	6.9
88.51559	1.6
88.99141	3.6
89.00744	2.4
89.02338	0.9
90.01537	3.7
91.00527	4.4
91.03919	1.8
91.05479	5.3
91.40217	0.8
92.01305	9.0
92.04925	1.0
92.05800	3.1
92.98654	1.5
93.02058	1.1
93.03390	0.8
93.04485	0.9
93.07028	1.7
94.06532	0.9
94.51534	1.3
95.01318	1.3
95.01939	1.2
95.02567	1.3
95.04951	2.2
95.08587	1.0
95.52308	0.9
96.01490	1.5
96.04488	1.6
97.02320	5.7
97.02887	40.5
97.96761	3.1
97.99148	2.4
98.01282	4.2
98.03139	1.3
98.06056	1.6
98.20905	1.1
98.97581	47.9
99.02023	2.5
99.04456	15.7
100.01036	1.8
100.02471	3.3
101.00821	2.3
101.02380	7.6
101.05996	1.0
101.99714	2.2
102.02328	1.3
102.05513	2.9
102.96913	2.0
103.02326	1.6
103.03925	1.6
103.52012	1.6
104.01278	4.2
104.03123	1.4
105.00234	2.6
105.02032	2.8
106.01014	4.4
106.02855	10.2
106.03549	1.6
106.06538	3.3
107.00168	1.5
107.04935	2.1
107.08601	1.6
108.01514	1.1
108.02454	1.6
108.04484	8.4
108.08066	0.8
108.53163	0.9
109.00498	1.2
109.02878	17.3
109.52060	1.8
110.01285	4.3
110.03144	2.2
110.07085	1.0
110.97536	3.3
111.00240	9.0
111.02037	1.9
111.02856	0.9
111.04421	2.5
112.00963	1.7
112.02811	1.2
112.07593	1.0
112.08729	0.9
112.99115	4.1
113.01759	3.3
113.02441	1.6
113.03513	1.0
114.00696	1.1
114.05527	1.3
115.01603	0.8
115.02376	2.7
115.03162	1.1
115.03921	3.8
115.05437	1.9
115.52030	1.0
115.97794	3.3
116.00212	4.6
116.01128	0.8
116.03153	1.1
116.07056	2.4
116.98615	64.5
117.01854	3.9
117.03881	0.8
117.05533	0.9
117.07011	17.2
117.51826	1.1
118.01044	11.5
118.02782	4.2
118.03529	3.2
118.51281	2.4
119.01879	15.7
119.03602	1.2
119.04913	2.3
119.97144	0.9
120.00766	4.6
120.01999	3.4
120.04494	1.0
120.05244	5.2
120.06565	3.6
120.08109	0.8
120.97947	2.2
121.01536	3.6
121.03517	1.1
121.06482	4.0
122.02261	1.5
122.03061	1.0
122.51012	1.3
123.00182	1.6
123.04414	1.4
123.51781	1.1
124.02788	3.5
124.07573	1.4
124.95427	0.9
125.01742	2.2
125.03609	1.8
125.04448	1.1
125.05992	1.6
125.88968	0.7
126.00738	1.8
126.02551	2.0
126.05506	1.8
127.00694	1.3
127.01497	6.4
127.03918	57.5
127.51856	1.1
128.02292	6.2
128.04239	1.4
128.98628	8.5
129.01910	0.9
129.02971	1.0
129.03951	1.3
129.10239	5.6
129.51787	1.4
129.54494	0.8
130.01915	1.2
130.02779	1.8
130.03641	1.3
130.08641	11.1
130.52548	1.4
131.00171	14.3
131.01846	5.5
131.03566	5.1
131.51521	1.4
131.52812	0.8
132.00751	9.6
132.03424	1.8
133.01718	6.2
133.03421	7.6
133.05017	1.2
133.06464	0.8
133.98842	2.3
134.01250	1.7
134.02101	1.4
134.03004	2.9
134.04396	1.0
134.05988	6.7
134.99649	80.9
135.04413	3.0
135.06747	3.0
135.07983	2.3
136.02899	1.0
136.03842	1.7
136.07573	1.6
137.02856	4.2
137.05992	5.8
138.02997	1.3
138.52267	1.9
138.98944	2.1
139.01517	2.7
139.03261	1.9
139.53053	1.2
140.00174	3.1
140.04944	1.0
141.00246	1.1
141.01273	13.9
141.02475	1.1
141.02800	1.0
142.01910	1.0
142.03609	1.6
142.96519	3.2
143.00151	2.4
143.01843	3.1
143.51518	1.1
144.06555	1.0
144.98123	1.1
145.01706	6.5
145.03436	3.7
145.04924	26.2
145.06450	22.4
145.58530	1.7
146.99654	11.8
147.01357	1.3
147.03099	1.8
147.05026	2.0
147.11282	7.7
148.02080	6.5
148.03822	25.8
148.04785	6.5
148.53957	1.3
149.00116	1.3
149.01218	19.7
149.02895	2.4
150.01840	5.4
150.04253	1.5
151.02760	6.6
151.04346	1.4
151.07481	2.0
151.99904	1.2
152.04430	1.2
152.07047	6.9
152.52061	1.8
153.00673	21.1
153.04099	0.8
154.03723	1.1
154.59079	5.5
155.01930	1.3
156.97314	0.9
157.01593	2.7
157.02481	3.0
157.03439	11.5
157.04434	12.9
157.09471	0.8
157.52795	1.0
157.54587	2.2
158.01248	10.4
158.09233	1.0
158.99631	3.6
159.05029	1.0
159.52786	1.6
159.54686	4.3
160.03653	4.5
160.04857	2.3
160.97595	6.6
161.01192	3.5
161.02946	4.0
162.03011	1.2
162.06499	1.3
162.07671	3.0
162.09111	2.7
162.99098	2.4
163.02701	3.9
163.03952	5.5
163.06056	3.1
163.07513	21.6
164.09180	1.0
165.00731	3.7
166.03084	1.5
166.09836	2.2
167.02266	4.2
168.06294	1.0
168.53310	2.1
168.55148	1.4
169.04373	38.3
169.54599	1.3
170.01241	1.0
170.99632	1.2
171.01471	1.5
171.03941	1.1
172.02859	1.8
173.01216	2.2
173.02995	2.0
174.04405	1.3
174.06192	1.0
174.99226	6.8
175.02745	16.5
175.04477	9.9
175.05911	1.3
175.11826	2.2
176.02263	2.5
177.00745	5.6
178.98607	2.7
179.02145	1.8
179.99040	1.3
180.02885	1.0
180.04825	9.3
180.06563	8.9
180.08716	4.6
180.10158	31.8
180.17361	1.5
180.55179	9.1
181.03578	2.1
181.04871	2.0
183.99152	2.0
185.02936	1.3
185.04784	1.0
187.02727	1.8
187.04443	1.8
188.97095	4.7
189.00644	1.7
190.98558	1.4
191.02242	1.8
191.55313	2.8
193.00212	7.5
193.03815	6.3
193.05341	1.6
196.99591	1.2
197.03020	1.1
198.00566	1.6
198.04381	1.1
198.06044	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0702
Annotation	Isoferulaldehyde
Peak:m/z	Relative Intensity
52.66526	0.7
53.03928	2.3
53.13488	0.8
53.22871	0.7
55.01873	12.8
55.05493	1.9
56.96569	5.6
57.03426	3.4
65.03931	4.0
67.05501	9.9
68.02263	0.7
68.99783	2.4
69.03418	2.3
71.59556	1.2
73.02912	2.2
76.07735	0.7
77.03913	1.9
79.05492	11.2
81.03413	2.5
81.07071	4.2
83.04962	1.9
85.02890	2.9
85.30074	0.7
89.03921	1.0
90.01544	0.9
91.05477	34.0
93.07037	5.5
95.04964	18.0
95.06041	1.7
95.08596	6.8
97.02862	2.2
97.07650	0.9
97.99182	1.5
98.97604	1.4
101.52310	1.0
103.05459	6.4
105.03366	2.3
105.04541	0.9
105.07025	26.4
107.04945	3.1
107.08585	2.8
107.52412	0.7
108.04517	1.5
108.05720	3.2
109.02851	3.5
109.06499	3.0
109.07679	1.1
109.10140	1.9
110.03648	5.3
110.07151	1.0
111.04443	3.5
111.05495	1.1
115.05439	2.7
116.00266	1.2
116.98580	1.5
117.02041	2.4
118.04156	2.2
119.01807	1.7
119.04942	42.6
119.08569	2.5
120.05502	1.2
121.02852	2.5
121.04005	0.8
121.06497	3.3
121.07578	0.8
121.10131	2.5
121.52062	1.1
123.04421	98.0
123.08044	10.7
123.11754	1.0
124.04716	2.1
126.02569	2.3
128.52843	1.3
130.52589	1.4
133.02814	4.9
133.06470	12.7
133.07425	1.1
133.10138	6.6
134.07129	0.9
135.04453	1.6
136.05186	7.1
137.05994	4.8
137.08211	4.8
137.09587	2.2
137.53392	1.9
138.06616	1.8
143.04900	0.9
146.03630	4.0
146.53873	2.2
147.04405	61.5
148.04742	0.9
149.06026	2.0
151.03906	8.5
151.07535	50.3
151.11145	1.8
152.08107	1.3
161.05969	22.2
161.07133	3.4
161.09590	3.3
161.13237	1.8
163.03961	1.2
164.04768	1.5
179.01831	2.0
179.03416	23.3
179.07033	100.0
179.10492	9.6
179.14290	2.7
180.07463	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	179.0702
Annotation	(E)-Methyl-4-hydroxycinnamate
Peak:m/z	Relative Intensity
51.02368	0.4
55.01873	3.6
56.05045	0.4
56.96563	5.1
57.03429	1.6
59.04993	0.7
61.84855	0.4
65.03931	2.2
67.05486	0.9
68.05020	0.8
68.99784	0.5
69.03429	1.5
69.67981	2.7
70.06590	0.6
71.01355	0.4
71.04974	1.0
73.02911	1.3
77.03900	0.5
79.05488	1.9
80.05032	0.4
81.03425	1.7
81.04530	0.7
81.07029	0.5
83.04997	0.4
83.06081	1.0
84.08144	0.6
85.02897	2.6
86.03674	0.6
87.04452	0.4
87.50790	0.8
91.05477	42.4
92.05804	1.1
93.07014	0.5
94.06538	0.4
95.04964	2.5
95.06076	1.1
95.08616	0.6
96.01549	0.5
97.02885	0.6
97.04005	0.5
97.07639	0.4
97.96767	0.8
98.20776	0.3
98.97569	1.6
99.04453	0.7
100.05218	0.5
101.27686	0.4
103.05457	0.6
105.02048	0.4
105.03374	1.1
105.07014	3.1
107.00170	0.3
107.04922	0.8
107.08541	0.6
108.04463	0.8
108.05703	0.9
109.02866	2.0
109.06496	0.7
110.01293	1.7
110.07178	0.6
110.97598	0.6
115.05402	0.5
115.97811	0.5
116.00266	0.6
116.98618	1.9
117.02052	1.1
118.04163	0.7
119.01823	1.5
119.04938	80.5
119.79595	0.4
120.05217	1.7
121.02830	0.4
121.06492	1.1
121.52061	1.2
122.03588	0.5
123.04434	3.0
123.08083	0.7
126.02532	1.7
126.52720	0.4
127.03904	0.8
128.02303	0.5
128.52786	0.6
128.98604	0.8
130.52551	2.0
132.08138	0.4
133.02824	1.9
133.06447	2.7
133.10098	0.8
134.06030	0.6
134.07076	0.8
134.99663	0.9
135.03096	0.8
135.04370	0.7
136.05202	2.0
137.05966	8.9
137.08192	1.9
137.53345	1.4
137.93053	0.4
138.05496	1.6
138.06459	0.4
139.53120	1.1
140.00143	0.5
142.03342	0.4
145.04980	0.6
146.03613	1.3
146.53885	1.3
147.04404	100.0
148.04721	2.5
149.01154	0.5
149.06023	0.5
150.06721	0.9
151.03934	1.7
151.07539	5.1
152.08195	0.8
157.00455	0.5
161.02351	0.5
161.05981	4.9
161.08151	0.5
161.09564	0.9
164.04752	2.2
165.05406	0.8
174.00734	1.2
174.29866	0.4
179.03421	8.6
179.07025	28.8
179.09296	1.7
179.10664	1.2
179.14270	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1638
Annotation	(3E,5Z,7Z,9E)-Trideca-3,5,7,9-tetraene
Peak:m/z	Relative Intensity
53.03936	1.5
55.05510	11.8
57.07076	6.6
62.25895	1.2
66.83212	1.0
67.05507	8.9
68.97846	0.9
69.06718	1.8
69.07069	24.0
70.15158	4.6
70.62499	1.0
71.08637	7.6
79.05496	17.7
81.07061	33.3
82.07372	1.0
83.08625	14.1
88.28979	0.9
89.03906	2.8
91.05493	8.7
93.07046	48.5
94.95742	1.0
95.04945	2.5
95.08611	47.3
97.10159	4.1
98.17110	1.0
98.98470	4.2
103.05484	1.6
105.07040	9.3
107.04968	1.6
107.08598	69.8
108.05292	1.1
108.08925	1.2
109.06503	1.4
109.10157	12.9
117.03366	3.2
117.06987	1.2
119.08584	4.3
121.06543	1.2
121.10149	100.0
122.10487	2.2
123.08038	1.3
131.08548	1.4
133.06485	1.1
133.10133	2.4
135.10695	1.4
135.11703	21.5
145.02838	5.7
149.02342	4.6
149.05968	3.2
149.13289	8.3
154.88478	1.0
159.08093	1.2
159.11649	1.4
164.54320	1.0
177.05472	8.5
177.07181	3.6
177.09119	2.0
177.12970	4.8
177.16394	71.9
178.08658	3.3
178.16800	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0702
Annotation	Isoferulaldehyde
Peak:m/z	Relative Intensity
53.03951	0.8
54.74162	0.5
55.01624	1.1
55.01872	18.0
55.05511	0.8
56.96566	3.6
57.03437	0.9
57.20692	0.6
59.04997	0.7
60.28139	0.7
65.03927	2.7
67.05494	2.0
68.05006	0.8
69.03419	0.9
69.71427	1.0
69.71837	3.1
72.83819	0.5
79.05494	4.8
79.71577	0.6
80.05038	0.6
81.03432	1.7
81.04508	0.7
81.07043	2.1
83.06094	1.0
85.02896	1.1
89.03907	1.1
89.30597	0.6
91.05482	56.1
92.05811	1.4
93.07031	2.3
94.04201	0.8
95.04979	6.0
95.06103	2.2
95.08591	1.7
98.97576	0.8
103.05490	3.0
105.03371	1.9
105.07031	15.1
107.04958	2.6
107.08577	1.5
108.05736	1.0
109.02856	3.3
109.06510	1.8
109.07636	0.8
109.10121	0.8
110.07153	1.1
115.05462	2.5
116.98614	0.7
118.04167	3.4
119.04944	85.5
119.08558	3.7
120.05515	1.4
121.06538	1.7
121.10148	3.8
121.52110	0.8
122.03642	1.7
123.04432	10.3
123.08048	2.9
124.05227	11.0
126.02653	0.9
130.52547	0.8
131.04877	0.7
133.02861	3.3
133.06493	14.8
133.10167	3.2
134.09395	0.7
135.04428	2.6
135.05487	0.8
136.05194	6.3
136.08739	0.8
137.05977	25.7
137.08224	4.2
137.09613	1.2
137.13202	0.8
138.06619	1.6
143.56804	0.7
146.03630	6.8
147.04410	100.0
148.04816	1.9
149.05965	1.3
151.03914	2.5
151.07565	10.5
151.11220	1.3
152.08269	2.1
161.02379	1.1
161.05994	31.4
161.09641	2.2
161.13261	1.5
162.06427	1.4
164.04683	2.6
165.05423	1.1
179.03464	13.4
179.07047	49.5
179.09093	1.6
179.09381	1.6
179.10432	3.7
179.14278	1.4
180.07552	1.7
189.08136	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0071
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58574	0.3
54.98627	0.5
56.96560	17.9
57.97359	0.4
64.14211	0.3
64.29134	0.3
71.41911	0.3
71.59981	0.4
71.95252	1.9
77.00927	0.5
79.05480	0.4
81.03425	0.6
87.05581	0.5
89.51565	0.5
91.05450	0.6
93.07059	0.4
95.01928	0.7
98.97580	84.0
99.97927	0.7
100.02457	1.3
105.07039	0.7
107.08560	0.4
113.00887	1.7
115.05481	0.4
116.98615	100.0
117.03350	0.8
117.98972	1.3
118.03522	0.5
119.01948	1.7
119.08570	0.5
120.02019	0.8
122.52866	0.8
129.04030	0.4
130.49246	1.0
130.74414	0.4
131.01904	14.9
134.03047	0.5
134.99652	98.2
135.03127	1.1
136.00023	1.5
136.02501	0.8
137.02959	0.6
138.49855	0.4
138.99962	0.7
139.49742	3.4
140.00218	3.4
141.96968	0.7
142.00024	1.4
142.03484	0.6
145.02811	0.8
145.06790	2.9
149.02988	4.1
149.06084	0.4
150.50719	1.1
151.00542	5.8
151.50632	0.8
152.02293	0.5
153.00706	20.0
153.04138	0.4
154.01250	0.4
154.03485	8.1
154.07333	2.7
154.57336	0.6
158.01257	5.4
159.11517	0.4
162.48155	0.4
162.51413	0.6
163.07784	0.6
165.58113	0.5
172.04573	1.2
172.94208	1.6
173.02931	0.6
176.02330	1.3
177.00789	3.5
177.04160	0.9
177.05487	0.8
177.12813	0.4
190.95305	3.9
195.01750	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.091
Annotation	cis-1,2-Dihydroxy-1,2-dihydro-7-methylnaphthalene
Peak:m/z	Relative Intensity
55.01853	0.2
55.05503	0.2
66.78104	0.2
67.05475	0.3
69.07060	0.2
69.55275	0.3
69.55682	1.0
77.03925	0.3
78.04706	0.4
79.05482	0.5
81.07034	0.5
83.08610	0.2
89.03907	0.6
91.05478	2.8
93.07038	1.3
95.04999	0.2
95.08590	0.8
98.98450	0.2
103.05475	1.2
105.03358	0.2
105.07008	0.7
106.04159	1.2
106.07789	0.5
107.08612	1.5
109.10122	0.3
115.05448	2.5
116.06248	2.0
117.03372	1.2
117.07019	9.0
119.04935	1.1
119.08556	0.4
121.06504	2.6
121.10117	1.6
129.06970	0.2
131.04951	0.3
131.08530	0.3
132.05742	0.2
133.06483	2.4
134.03638	0.3
134.07289	3.0
134.10393	0.2
135.08058	1.2
135.11702	0.4
144.05687	2.0
145.02832	2.0
145.06493	1.8
147.04401	0.3
147.08029	0.4
149.05968	1.2
149.09618	1.1
159.08110	0.4
159.11716	0.2
161.05956	1.0
162.06763	11.0
163.07063	0.2
175.07573	0.3
177.09105	100.0
177.16269	1.3
178.09431	2.8
197.73007	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	176.0404
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.4
55.05490	0.3
56.05025	0.6
56.96562	10.7
57.93567	0.4
59.06115	1.6
60.04504	0.6
70.76755	0.7
70.77122	0.8
71.95262	1.6
72.08099	0.4
73.12418	0.3
74.97604	0.4
75.05595	0.8
75.94605	0.6
78.66846	0.3
81.03406	0.5
85.02916	0.3
89.51590	0.4
91.05500	0.4
95.01955	0.5
98.00874	0.4
98.97581	40.9
100.02451	1.7
101.00877	1.1
104.07076	0.5
105.07028	0.4
107.05000	0.3
109.02837	0.8
110.50284	0.4
113.00903	0.4
116.00233	0.8
116.01946	4.7
116.97227	6.5
116.98615	66.5
117.03377	0.6
117.99066	0.4
118.03515	8.7
119.01918	16.2
119.03686	0.7
120.02020	1.8
121.01650	1.6
126.03194	0.4
128.97856	1.1
130.03471	0.8
131.01897	5.0
131.08504	0.4
131.99550	1.6
133.03525	0.5
134.01306	0.9
134.02988	52.6
134.99655	100.0
135.99977	0.6
136.02679	0.5
136.04544	2.8
137.02969	9.3
137.03981	0.5
137.04752	0.4
137.98351	2.5
138.03038	0.8
138.49873	1.4
138.99918	0.4
139.02626	0.8
140.00175	2.7
141.51837	0.3
142.03503	1.0
144.03215	0.5
145.02782	0.5
148.04591	0.5
148.96167	0.5
149.02945	1.5
150.00674	2.4
150.06131	0.4
152.02179	0.6
152.04034	13.2
152.05885	0.8
152.96953	2.7
153.00706	27.2
153.04082	0.6
154.03465	2.5
154.07321	0.6
155.01199	0.4
157.04570	2.4
158.01248	11.3
158.02979	5.8
158.04449	0.5
158.04794	0.5
160.04535	0.7
161.04727	1.5
170.98022	1.1
171.01347	2.7
171.04935	0.9
171.06227	0.6
172.04584	0.8
175.05803	0.4
175.98541	3.1
176.02316	7.1
176.04057	18.2
176.05792	2.5
176.07114	3.2
177.00859	2.2
177.04124	0.7
177.05551	0.8
181.02824	0.6
189.02563	0.7
194.03337	1.1
194.05080	6.7
194.06818	0.9
195.01775	0.9
195.05075	0.4
199.05630	1.8
199.07365	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	176.1434
Annotation	Nigrifactin
Peak:m/z	Relative Intensity
53.03928	2.8
55.01859	0.9
55.05493	2.0
56.05022	3.0
56.60307	0.8
57.07069	1.3
58.06577	1.4
65.03918	1.3
65.95477	0.7
66.11781	0.9
67.05491	3.9
68.05021	12.0
68.99776	1.9
69.07061	21.0
69.39100	6.2
70.06576	2.9
77.03907	1.1
79.05487	26.0
80.17815	0.7
81.03403	0.8
81.07059	6.3
82.06570	5.0
84.08138	4.7
86.85517	0.7
91.05474	19.3
92.05784	0.7
93.07036	65.0
94.06553	8.7
95.04958	4.1
95.08601	9.6
96.08113	3.1
98.21515	1.4
98.98446	1.7
103.05468	6.0
105.04483	1.0
105.07021	6.6
107.04932	2.0
107.08586	56.5
108.08112	17.1
108.08838	1.2
109.10143	1.0
117.06978	3.8
119.08577	21.1
120.08108	6.4
120.08883	1.0
121.06478	3.4
121.10155	3.9
122.09660	1.6
131.04906	6.2
131.08546	2.5
132.08060	2.8
133.05180	0.8
133.06506	0.8
133.08846	5.7
133.10115	2.4
134.09622	6.5
135.04385	1.4
135.11681	45.3
136.12030	1.3
144.09328	1.3
145.02820	1.2
146.09602	2.3
147.10408	1.6
147.11565	1.5
148.11195	2.1
149.02332	2.1
149.05969	4.5
150.08963	0.7
157.10098	0.8
159.04396	1.5
159.11673	9.3
160.11208	0.7
161.04720	2.0
161.11992	3.2
162.03116	0.7
166.85301	0.7
174.12700	1.5
176.07069	10.4
176.14331	100.0
177.05452	16.4
177.06609	0.5
177.08919	0.7
177.12804	1.5
177.14665	3.2
177.16341	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	175.1482
Annotation	Ionene
Peak:m/z	Relative Intensity
51.02413	0.6
53.03924	0.5
55.05511	6.0
57.07069	1.2
67.05503	1.7
69.03420	0.6
69.07067	15.5
69.47859	3.0
69.48264	1.4
71.67470	0.5
71.82340	0.5
79.05503	2.7
81.07056	9.8
83.08619	3.7
91.05484	9.3
93.07043	3.5
95.04961	1.1
95.08608	9.8
97.02885	1.0
98.98457	7.4
103.05467	0.8
104.06214	0.6
105.07030	21.4
106.07371	0.6
107.08594	5.4
109.10159	0.7
111.03683	0.5
111.04436	0.8
115.05450	1.5
117.07030	2.9
119.08577	70.3
120.08929	1.9
121.10113	1.5
121.49047	0.5
129.06982	1.5
131.08585	3.6
132.05687	1.0
133.10126	65.5
134.10498	1.5
135.11705	0.7
142.07750	0.7
143.04921	0.6
144.09299	0.6
145.06485	0.8
145.10117	6.3
146.10982	0.6
147.04431	0.9
147.08026	1.4
147.11691	11.5
154.99809	0.5
157.10097	1.3
159.11664	0.8
160.05228	2.7
160.12476	3.2
161.04723	0.8
173.13269	1.9
175.03951	1.0
175.07532	8.8
175.11218	3.6
175.14821	100.0
176.07037	2.8
176.15254	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	176.0109
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21138	0.4
52.98531	0.5
60.14132	0.5
60.61306	0.5
69.03426	0.6
70.06582	1.0
71.58910	0.9
79.29710	0.5
81.03403	0.9
87.04465	1.2
98.06040	1.9
98.97598	1.0
106.93239	0.6
116.07072	1.9
118.08673	0.5
131.01912	1.4
132.02109	100.0
133.02423	1.5
141.00081	0.5
150.03175	1.5
154.03465	0.6
175.99538	1.2
176.01093	25.3
176.06993	0.7
176.09193	0.8
177.01436	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	176.023
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96297	0.7
56.96566	13.3
59.06107	1.2
70.21874	3.0
71.95253	1.5
72.08087	0.7
89.51556	0.8
98.97581	82.4
100.02481	1.6
101.00903	0.9
116.01958	3.3
116.97243	2.5
116.98615	100.0
118.03503	4.1
119.01917	8.9
120.02043	1.1
121.01650	0.9
128.97781	0.7
131.01904	5.8
134.01381	0.9
134.02969	24.4
134.04578	1.0
134.99654	92.1
136.04539	1.5
137.02959	4.4
138.49875	4.4
138.98933	0.8
139.49696	0.7
140.00191	4.5
145.06755	1.3
148.04492	0.7
149.02962	2.1
150.00679	6.9
152.02245	0.8
152.04008	5.2
153.00699	18.8
154.03491	2.7
158.01260	9.2
158.02916	3.3
165.58145	0.8
171.01495	1.5
172.04518	0.9
175.98650	1.0
176.02333	6.8
176.04102	9.6
176.05853	1.7
176.07109	2.2
176.09113	0.8
177.00873	1.7
177.04175	0.8
189.02419	1.6
194.03368	1.6
194.05133	2.9
195.01807	0.7
199.05594	1.0
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	Ionene
Peak:m/z	Relative Intensity
52.20434	0.4
52.90362	0.4
53.03942	0.6
53.72229	0.4
55.01877	0.7
55.05508	4.1
67.05502	1.3
69.03423	0.8
69.07066	7.2
69.07414	0.8
70.06567	0.6
71.61838	0.5
74.83546	0.4
79.05483	1.5
81.07055	6.8
83.05000	0.9
83.08624	1.0
85.02899	1.3
87.04471	0.6
91.05478	9.7
93.07037	3.4
94.56554	0.4
95.04941	0.7
95.08615	4.3
97.02898	1.6
98.98466	11.0
103.05476	0.8
104.06262	0.8
105.07031	20.0
107.04968	1.2
107.08599	3.2
111.04445	1.2
115.05450	3.4
117.07022	2.9
119.04946	0.7
119.08578	39.6
120.08877	0.9
121.06470	0.7
121.10146	1.1
128.06245	0.6
129.07018	2.5
130.06520	1.3
131.04889	0.8
131.08559	2.8
132.05682	2.1
132.09355	0.8
132.95802	0.8
133.02849	1.8
133.10126	100.0
134.10454	2.6
135.07924	0.4
142.07779	0.9
143.04880	0.5
144.05661	0.6
145.06488	1.4
145.10144	2.1
146.10895	1.0
147.04356	1.9
147.08073	3.1
147.11688	5.9
148.07544	0.5
150.96870	0.4
157.10193	1.0
160.05203	3.7
160.08809	0.4
160.12489	1.5
161.04688	0.9
173.13284	0.7
175.03911	1.1
175.06128	0.6
175.07541	18.1
175.09842	0.9
175.11215	4.0
175.14824	45.0
175.61478	0.4
176.06990	4.9
176.15132	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0754
Annotation	1,2-Dihydroxy-8-methylnaphthalene
Peak:m/z	Relative Intensity
55.01855	2.4
55.05481	0.6
59.57411	0.5
69.03423	1.9
69.07053	1.1
70.06842	1.0
70.07242	2.0
78.04698	1.5
79.05508	2.7
81.07051	1.5
84.73717	0.5
91.05479	32.5
92.18729	0.6
93.07029	1.7
95.04984	0.8
95.08593	1.8
97.02913	0.8
98.98458	3.7
103.05457	4.2
104.06245	9.5
105.03410	1.3
105.06473	0.7
105.07043	6.4
105.51754	0.5
107.04964	8.5
107.08562	1.4
115.05452	24.9
116.06259	0.9
117.07016	20.0
119.04964	1.0
119.08578	45.3
120.08901	2.0
127.05430	0.6
128.06223	15.6
129.06151	1.0
129.07011	13.2
131.04895	3.7
131.08586	0.6
132.05707	46.2
132.95818	0.6
133.06067	1.5
133.09221	0.9
133.10120	7.0
136.88696	0.5
141.78017	0.6
143.04895	2.5
144.05649	1.2
145.06468	7.2
146.07214	1.0
147.04434	1.1
147.08043	43.3
147.11720	1.7
148.08356	1.1
155.06038	1.7
157.06425	0.6
157.07649	0.9
160.05190	40.4
161.05580	1.2
175.07542	100.0
175.14830	8.8
176.07886	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	175.0754
Annotation	1,2-Dihydroxy-8-methylnaphthalene
Peak:m/z	Relative Intensity
54.36004	0.3
55.05519	0.5
56.96573	0.4
65.03922	0.5
69.03455	0.4
69.07060	0.8
70.06587	0.4
73.46649	0.3
77.03880	0.3
78.82378	0.3
79.05499	0.5
81.07047	1.2
83.04980	0.4
83.08617	0.4
85.02909	0.7
91.05478	4.1
93.07030	0.6
94.82093	0.3
95.04916	0.3
95.08588	0.7
97.02897	0.7
98.98465	6.7
103.05470	0.9
104.06217	0.7
105.03390	0.6
105.07017	3.0
107.04952	0.4
107.08589	0.6
111.04406	0.6
115.05449	37.2
116.06216	1.9
117.07017	8.3
119.04939	1.1
119.08582	6.4
128.06235	1.9
129.07008	3.9
131.04909	2.1
131.08548	0.5
132.05698	7.4
133.10118	5.5
134.07109	0.3
142.04176	0.5
142.07712	0.4
143.04921	11.4
144.05710	9.3
145.06473	1.9
146.07236	0.6
147.04393	0.9
147.08031	4.3
147.11703	1.4
155.05997	0.6
157.06520	0.4
157.10092	0.5
160.05188	62.4
161.05672	2.0
174.06789	0.4
175.07536	100.0
175.11099	2.0
175.14803	5.1
176.07854	2.3
176.14302	0.5
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
53.03956	0.5
54.12816	0.5
55.01852	0.5
55.05515	0.8
57.07076	0.5
57.59930	0.5
69.07077	0.8
69.50613	4.0
70.06597	1.2
77.03922	0.5
79.05482	2.4
81.07063	1.2
85.02905	1.5
91.05484	7.7
92.80392	0.5
93.07043	0.9
95.04951	0.9
95.08639	0.4
97.02911	0.9
98.20718	0.6
98.98469	13.3
103.05459	1.4
104.06259	0.6
105.07034	98.5
106.06689	0.6
106.07378	2.0
107.04955	9.3
107.05626	0.8
107.08581	0.7
111.04429	0.6
115.05475	0.6
116.99524	0.7
117.07063	2.0
119.08586	100.0
120.08914	2.6
121.06548	0.8
125.06210	0.4
129.07027	1.2
131.04913	0.6
131.08582	1.8
133.10129	32.9
134.06044	1.8
134.10526	1.1
135.04424	2.9
142.07761	0.7
145.10081	0.7
147.04408	1.6
147.08044	1.1
147.11697	4.2
157.06403	0.6
157.10089	0.8
161.04732	1.1
175.03944	1.5
175.07497	3.2
175.11172	2.6
175.14832	16.3
176.07048	10.1
176.14326	0.5
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
55.05508	2.3
57.07054	0.4
61.46304	0.4
67.05500	1.2
69.07066	3.5
70.06593	0.6
71.60413	0.5
71.60767	0.5
79.05482	1.6
81.07055	5.8
83.04971	0.5
83.08665	0.6
85.02895	0.7
91.05476	8.3
93.07040	2.5
95.04964	0.4
95.08611	4.2
97.02890	0.8
98.98469	7.4
103.05484	0.4
105.07030	23.7
107.05009	0.3
107.08581	3.0
109.10116	0.4
116.99531	0.4
117.06998	3.6
119.08577	42.2
120.08929	1.0
121.10138	0.6
129.06993	1.6
131.08562	3.2
132.09340	0.9
133.10126	100.0
134.10457	3.0
142.07788	0.7
145.10104	1.1
146.10857	0.9
147.04388	0.7
147.08102	0.4
147.11693	9.0
148.07578	0.4
155.08443	0.3
157.04276	0.5
157.10118	0.8
160.12485	0.8
161.04716	0.6
173.13249	0.7
175.06233	0.4
175.07526	2.0
175.11247	1.7
175.14819	52.5
176.07079	3.8
176.15137	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0753
Annotation	1,2-Dihydroxy-8-methylnaphthalene
Peak:m/z	Relative Intensity
53.03931	0.7
55.01867	2.2
55.05495	0.7
61.92963	0.5
61.96064	0.5
65.03944	1.3
69.03423	2.0
69.07059	1.6
71.27680	0.4
71.61429	0.9
78.04688	1.3
79.05497	2.6
80.89315	0.5
81.07054	2.1
81.42249	0.4
83.04971	0.4
83.08575	0.6
85.02878	0.8
90.94835	0.4
91.05475	38.4
92.05811	1.0
93.07045	2.1
95.04947	1.5
95.08592	1.6
97.02883	1.2
97.96217	0.5
98.98463	8.4
103.05476	3.5
104.06248	10.1
105.03371	1.7
105.07036	7.4
107.04286	0.7
107.04951	8.7
107.08582	1.0
109.06494	0.5
115.05450	23.3
116.06336	0.7
117.07015	17.9
119.08575	53.0
120.08887	1.4
121.06518	0.6
127.03993	0.5
127.05376	0.7
128.05249	0.9
128.06212	17.0
129.07008	13.3
130.06525	0.6
130.45331	0.4
131.04916	4.8
131.08557	1.4
132.05704	48.5
132.95845	0.5
133.06081	1.7
133.10118	16.8
134.95334	0.5
135.04433	0.6
135.08000	0.6
139.03932	0.6
142.07819	0.8
143.04930	2.8
144.05652	0.7
145.06483	7.2
145.10146	0.5
146.07234	1.0
146.10950	0.6
147.04431	1.4
147.08038	48.5
147.11694	3.2
148.08434	1.9
155.06017	1.7
155.56543	0.6
157.06445	0.9
157.07617	1.2
157.10098	1.0
160.05188	37.4
160.08823	0.9
161.05574	0.9
175.07538	100.0
175.11160	4.4
175.14812	12.5
176.07848	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	174.0762
Annotation	N-Acetyl-L-glutamate 5-semialdehyde
Peak:m/z	Relative Intensity
51.10004	1.4
56.05024	2.8
57.03435	10.6
60.04525	41.0
68.05011	4.0
69.03425	16.0
69.07059	2.1
69.28887	13.6
74.00554	1.0
80.59511	1.0
81.07036	1.4
84.04504	34.8
85.02905	15.6
86.06065	3.4
91.05474	7.0
96.04490	15.1
97.02888	84.1
98.20691	2.0
98.98468	5.8
101.37214	1.1
102.05537	6.7
105.07027	3.8
114.05527	38.0
115.03921	8.3
115.05470	3.5
117.06998	3.1
119.04919	2.5
119.08578	13.8
126.05534	1.5
128.06255	1.4
128.10736	1.0
129.06998	1.9
131.04910	2.3
131.08571	1.5
132.05688	3.4
132.06567	3.8
132.08923	1.9
133.10112	9.8
138.05472	2.0
145.10094	1.6
146.05998	1.7
146.08102	1.2
147.04393	1.9
147.08041	3.0
147.11678	1.7
156.06483	2.3
160.05241	6.2
174.07626	100.0
174.12810	4.1
175.07555	16.1
175.11145	1.5
175.14832	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	174.0762
Annotation	N-Acetyl-L-glutamate 5-semialdehyde
Peak:m/z	Relative Intensity
53.03933	1.2
53.46727	0.7
56.05023	3.2
57.03439	9.6
57.63155	0.7
60.04525	43.0
61.31298	0.7
68.05030	3.8
69.03428	13.1
81.07053	0.7
84.04506	27.0
85.02901	12.8
86.06062	3.1
91.03947	1.1
91.05483	2.1
92.00789	0.7
96.04494	12.1
97.02891	84.6
98.03246	0.8
98.20767	1.4
98.98475	5.7
100.03978	1.9
102.05531	8.1
105.07044	1.1
111.04411	1.2
114.05524	34.9
114.59509	0.8
115.03932	7.4
115.05443	3.1
117.07035	2.2
118.07375	0.7
119.08594	3.5
126.05481	0.8
129.07060	0.8
131.04909	1.1
131.08546	0.8
132.05690	1.2
132.06564	3.9
132.08044	1.5
133.10139	2.4
138.05540	1.1
142.86723	0.7
143.04897	1.1
145.06496	0.8
146.05971	1.1
146.08101	0.8
147.08047	1.1
156.06555	2.8
157.09973	0.9
160.05179	6.6
174.07625	100.0
174.12561	4.2
174.18498	0.8
175.07556	12.6
175.11247	0.9
175.14804	2.3
177.13049	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	174.0762
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10004	1.4
56.05024	2.8
57.03435	10.6
60.04525	41.0
68.05011	4.0
69.03425	16.0
69.07059	2.1
69.28887	13.6
74.00554	1.0
80.59511	1.0
81.07036	1.4
84.04504	34.8
85.02905	15.6
86.06065	3.4
91.05474	7.0
96.04490	15.1
97.02888	84.1
98.20691	2.0
98.98468	5.8
101.37214	1.1
102.05537	6.7
105.07027	3.8
114.05527	38.0
115.03921	8.3
115.05470	3.5
117.06998	3.1
119.04919	2.5
119.08578	13.8
126.05534	1.5
128.06255	1.4
128.10736	1.0
129.06998	1.9
131.04910	2.3
131.08571	1.5
132.05688	3.4
132.06567	3.8
132.08923	1.9
133.10112	9.8
138.05472	2.0
145.10094	1.6
146.05998	1.7
146.08102	1.2
147.04393	1.9
147.08041	3.0
147.11678	1.7
156.06483	2.3
160.05241	6.2
174.07626	100.0
174.12810	4.1
175.07555	16.1
175.11145	1.5
175.14832	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	171.138
Annotation	(-)-p-Menth-1-ene-7,8-diol
Peak:m/z	Relative Intensity
55.05513	2.6
56.57545	0.7
56.96558	2.3
57.03432	1.1
57.07068	2.8
59.04991	1.2
67.05503	7.5
69.03426	0.9
69.07067	6.7
70.19716	3.3
72.04510	5.9
73.02914	1.3
79.05483	2.5
81.07050	3.8
83.04942	1.2
83.08616	3.4
85.02918	1.3
85.88678	0.7
89.07158	6.2
91.05465	0.9
93.07047	9.2
95.08604	4.3
97.06519	1.7
98.21465	0.8
98.97572	1.6
107.08571	11.4
107.09193	1.0
109.10152	100.0
110.01291	2.6
110.10486	1.8
111.04427	2.3
111.11728	1.5
116.98596	1.4
119.01814	2.9
119.72492	0.8
127.03959	1.1
128.02345	5.3
128.06232	1.0
129.07001	0.9
130.52560	1.5
135.11685	14.4
136.11981	0.8
137.02866	2.2
139.03908	3.4
139.53134	1.7
141.02943	0.7
143.08578	2.0
148.53642	1.1
153.12738	9.1
156.09364	1.9
171.02940	1.1
171.05498	1.2
171.08063	1.1
171.10222	0.7
171.11699	2.8
171.13690	1.2
171.14958	5.7
191.96559	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.138
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.4
55.01874	6.8
55.05510	31.1
56.96568	35.0
57.03429	12.6
57.07079	24.0
61.02930	8.0
63.22078	2.9
65.03954	3.5
66.55923	2.6
67.05502	86.9
69.03428	12.6
69.07062	22.3
71.04951	4.1
71.32866	5.3
72.04516	100.0
73.02909	25.3
74.00278	3.0
77.00806	5.3
79.05476	7.0
80.05845	3.1
81.03430	9.8
81.07057	7.0
83.04961	8.1
83.08617	37.5
84.04472	7.8
85.02888	12.6
86.03693	3.5
87.08108	5.7
89.07151	78.4
93.07039	9.9
95.08587	7.7
96.01579	5.1
97.02886	9.9
97.06526	5.8
97.10148	5.8
98.01308	8.4
98.97586	18.4
101.52344	4.8
104.01290	6.0
107.08600	14.8
109.02872	11.0
109.10162	31.3
110.01288	29.1
111.04437	10.0
111.08072	4.4
111.11722	4.1
115.05487	3.9
116.98629	15.6
118.03436	4.4
119.01802	48.0
121.52072	13.2
125.02359	3.7
125.09630	3.5
127.03931	12.2
128.02309	56.7
128.06215	14.5
128.52522	5.1
128.98610	7.9
129.07033	5.5
130.05020	4.6
130.51746	4.5
130.52576	26.1
130.53435	3.6
134.99677	11.5
135.08130	3.6
135.11671	10.1
137.02814	27.6
138.77116	3.0
139.03935	6.2
139.53087	37.0
140.00229	4.0
141.06990	3.7
142.03340	4.9
142.07683	3.0
143.08575	14.5
146.99686	5.3
148.53601	15.0
148.54649	3.6
151.03883	8.8
153.01813	11.0
153.05533	4.9
153.09088	4.0
153.12750	54.2
156.09335	15.2
158.01262	9.6
160.04494	8.2
161.52908	3.6
171.02847	12.6
171.04277	6.3
171.05602	5.2
171.08083	12.3
171.10152	7.2
171.11693	25.6
171.14932	77.3
172.07434	4.4
172.16931	4.7
188.02213	4.9
189.00693	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	171.1379
Annotation	(-)-p-Menth-1-ene-7,8-diol
Peak:m/z	Relative Intensity
53.03950	1.8
55.01870	2.0
55.05504	18.3
55.93019	1.4
56.96572	3.3
57.03429	4.8
57.07066	6.8
59.05000	7.8
63.06471	1.7
67.05495	16.4
69.03419	5.8
69.07064	61.7
69.78478	5.9
69.78893	4.6
71.04984	4.8
72.04517	11.4
77.77605	1.8
79.05475	8.3
81.07061	16.9
83.04964	4.2
83.08614	20.2
85.06508	2.8
89.07172	8.4
91.05481	6.4
93.07039	65.1
94.07375	2.4
95.04970	2.4
95.08603	37.3
97.06522	81.3
98.97585	2.4
99.08107	3.8
103.05431	1.9
105.07063	2.9
107.08588	100.0
109.10155	48.5
110.01267	3.1
111.04433	4.9
111.08080	10.4
111.11699	7.0
119.01739	4.3
125.05989	1.8
125.13251	3.2
125.34397	2.1
128.02286	4.4
128.06215	3.1
135.11685	79.5
136.12035	2.9
137.02856	2.4
139.03911	2.4
139.52991	1.9
141.06969	2.0
143.08551	6.3
153.11499	4.0
153.12735	62.7
154.13138	3.2
156.09343	7.2
156.73236	2.0
171.02972	2.0
171.08029	1.9
171.11661	7.6
171.13704	2.3
171.14914	7.6
173.11742	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	171.0652
Annotation	AC1OCV3S
Peak:m/z	Relative Intensity
53.03949	0.8
55.01871	7.2
55.05514	5.5
56.05022	0.5
56.96571	6.1
57.03439	0.8
57.07075	0.7
58.05358	0.4
59.06126	0.8
60.04526	0.6
65.03944	22.0
66.69522	0.4
67.05505	4.7
68.99794	7.4
69.03433	2.4
69.07063	2.2
69.93539	1.4
69.93952	0.9
70.06610	1.1
71.01353	0.6
71.04990	1.4
71.06134	0.5
71.08643	0.5
72.04519	4.9
72.08154	1.0
72.93794	1.0
75.05628	0.4
78.11097	0.4
79.01843	0.6
79.05492	1.4
81.03424	4.5
81.04550	0.4
81.07056	1.7
82.04219	0.5
83.01334	0.7
83.04985	11.5
83.06091	1.1
83.08620	2.3
83.97633	0.8
84.08160	0.5
85.02909	1.4
85.04034	0.4
85.06561	0.8
85.07666	0.6
86.06081	0.6
89.07156	4.3
91.05460	0.7
91.52103	2.8
93.03400	4.8
93.07043	1.4
95.04957	3.1
95.06035	0.6
95.08614	0.8
96.02127	1.6
96.16998	0.4
97.02895	2.1
97.06512	0.7
97.07648	0.5
98.06034	0.6
98.97573	0.8
99.05559	0.6
107.01307	1.1
107.04948	0.7
107.08588	1.1
109.02865	2.7
109.06448	0.4
109.07658	0.6
111.04444	84.8
111.09208	1.4
112.04081	0.4
112.04826	1.4
112.07638	0.5
113.05962	0.6
113.07130	0.4
114.06669	0.6
115.05342	0.4
116.98630	1.0
118.54442	1.1
119.01840	0.9
121.02882	1.8
121.03984	4.3
121.06522	0.9
122.06874	1.2
124.54394	0.8
125.02354	1.1
125.05975	1.3
125.06995	0.4
125.09572	0.5
126.05538	0.5
126.09223	1.0
126.10369	0.4
127.03950	2.6
128.02303	1.1
128.04305	0.9
128.06233	0.8
128.11803	0.5
128.98599	0.5
129.53627	2.1
133.54924	0.6
134.99698	0.6
135.04442	0.6
135.11726	0.7
136.05186	0.5
137.02802	0.5
138.54137	8.6
138.55106	0.7
139.00264	1.2
139.03902	100.0
139.53123	0.6
140.04288	1.6
143.03430	0.8
143.08553	0.7
146.01276	0.8
146.99680	0.6
147.03291	0.8
147.54654	9.0
147.96916	2.0
147.99127	0.5
148.04825	0.7
150.05023	0.9
153.01801	2.0
153.05455	1.0
153.09023	0.4
153.12732	0.8
154.09747	0.6
154.13396	0.7
156.03767	1.2
156.09344	1.2
156.55177	2.8
157.01292	1.7
159.05495	1.2
164.02316	1.9
165.97935	1.1
171.02872	2.4
171.04420	0.9
171.06557	8.6
171.07944	0.6
171.11548	1.1
171.14938	3.6
182.03331	1.1
186.04379	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.1224
Annotation	Geranic acid
Peak:m/z	Relative Intensity
53.03951	0.3
55.05506	0.8
56.96558	0.4
57.03440	0.4
58.17924	0.3
59.04995	0.3
63.27216	0.3
65.03953	0.6
67.05505	7.9
68.07842	0.3
69.07063	0.9
69.96331	1.7
71.04981	0.6
79.05477	1.4
81.03435	0.6
81.07059	10.5
83.04989	1.0
85.02882	0.6
85.06529	0.4
90.83061	0.3
91.05488	0.6
92.78979	0.3
93.07046	1.6
95.04948	0.7
95.08603	1.5
95.59429	0.3
98.06052	0.3
98.21384	0.6
99.04448	0.4
104.87998	0.3
105.07047	0.9
106.38827	0.3
107.08605	5.2
109.02872	2.2
109.06532	1.1
109.10159	100.0
110.06055	0.4
110.10486	2.6
111.00830	1.4
111.04436	1.2
111.08144	0.4
111.76464	0.3
113.00045	0.4
113.06007	0.4
123.04450	0.9
123.08104	0.8
123.11717	11.7
124.07614	0.6
124.12007	0.5
126.03132	1.7
127.03907	0.3
129.62527	0.3
129.70915	0.3
133.02840	0.3
133.10118	1.0
134.76285	0.3
141.05481	6.3
141.06589	0.5
141.07025	0.3
142.05823	0.3
142.08713	0.4
151.03960	0.5
151.11177	2.9
152.07030	0.6
169.04984	3.6
169.06383	0.6
169.07603	0.4
169.10017	0.4
169.12241	3.6
170.08214	0.5
170.09677	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	170.0411
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.5
55.01863	3.3
55.05496	3.0
55.93518	1.0
56.05021	3.0
56.96561	43.7
57.03433	5.0
57.04555	0.8
57.07058	1.1
58.06585	1.3
59.04995	1.2
59.06114	1.6
60.04517	2.2
61.02905	2.2
65.03924	2.0
66.03436	0.7
66.04266	0.9
67.05497	2.3
68.05019	2.3
68.05810	0.8
68.99785	1.3
69.03074	1.2
69.03423	18.6
69.04542	1.4
69.07048	2.2
69.29346	0.7
70.03745	1.1
70.06582	4.1
70.94240	0.8
71.01360	1.0
71.04981	1.6
71.06093	1.1
71.61411	1.4
71.95253	1.1
72.04500	3.4
72.08155	3.4
72.93780	1.6
73.02918	6.2
74.06071	1.3
74.97585	1.0
77.03937	1.0
79.05479	4.4
80.05016	0.8
80.05831	0.8
81.03414	6.4
81.04530	1.0
81.07046	3.0
82.05326	0.7
82.06578	2.3
82.07376	1.9
83.04984	1.5
83.06093	3.8
83.08617	3.1
83.21433	0.7
84.04492	2.9
84.08128	2.2
84.96019	9.6
85.02901	6.4
85.04060	0.7
85.07643	1.0
86.03191	0.7
86.06057	2.9
86.08424	0.7
87.04471	1.9
88.07625	1.9
89.07153	2.4
91.05474	17.9
92.05002	1.9
92.05801	2.2
93.05769	2.3
93.07037	20.6
94.06557	1.9
94.07371	2.1
95.04967	10.7
95.06078	1.4
95.36916	0.7
96.04517	1.7
96.05234	0.7
96.08118	3.5
96.08942	0.8
97.02883	7.2
97.04018	0.8
97.06512	1.5
97.07664	3.3
97.10146	0.7
97.96828	1.2
97.99205	0.9
98.03172	1.0
98.06052	2.1
98.96925	1.0
98.97573	16.5
99.04434	1.8
99.05564	1.8
100.07644	0.7
102.04710	0.7
102.97044	1.7
103.05468	15.8
104.05723	1.3
105.04499	2.1
105.07014	2.6
106.06568	1.0
106.07323	0.9
107.01305	1.6
107.02578	1.8
107.04962	5.5
107.06068	1.5
107.08646	1.4
108.08140	1.3
108.08887	1.6
109.02875	3.9
109.07622	2.9
109.10114	1.0
110.03189	1.5
110.06053	5.3
110.06735	0.7
110.07140	1.4
110.10490	2.2
110.97564	5.0
111.04446	4.9
111.05570	2.3
111.08041	1.1
111.09191	3.9
112.01109	1.3
112.04799	0.9
112.07578	1.5
112.09533	1.5
113.07101	1.5
115.02298	2.1
115.05463	1.0
115.52486	1.9
115.97855	1.0
116.03094	6.0
116.98615	19.9
117.06993	1.8
118.03474	0.7
119.01839	1.3
119.02597	1.1
119.04945	2.2
120.05288	0.8
120.98088	0.7
121.02253	1.6
121.06498	100.0
122.06843	6.6
123.04417	1.0
123.05531	1.2
123.09109	0.8
124.04784	2.0
124.07603	7.3
124.08457	1.4
124.12028	2.3
125.02394	1.0
125.05968	2.2
125.07117	2.5
125.09599	1.0
126.03254	1.2
126.05508	1.3
126.06638	0.7
127.03885	3.2
127.04851	1.0
127.08676	2.3
128.03091	8.8
128.06206	1.1
128.07065	1.1
128.08102	1.0
128.53255	0.8
128.95097	2.3
128.98595	11.4
131.00143	1.3
134.03078	3.5
134.06013	0.7
134.99648	17.1
135.03873	2.5
135.05417	0.8
135.08092	1.0
136.02826	1.1
137.03586	1.1
137.05902	1.3
138.06456	0.9
139.00349	0.8
139.03896	10.2
139.53831	1.8
140.00151	1.1
140.03023	0.9
140.08250	0.7
141.03839	1.7
141.05513	0.9
142.05820	6.0
142.08638	4.4
142.09578	0.8
142.12259	2.4
143.00157	4.2
143.03520	2.3
143.08397	0.8
145.06551	1.2
146.96097	3.0
146.97224	1.1
146.99648	19.9
147.96956	2.1
147.99960	0.8
148.02821	1.1
148.52922	0.7
149.01186	2.0
149.03587	3.6
149.53702	0.8
152.04701	4.8
152.07047	7.0
152.08186	2.5
152.11673	1.0
153.00673	2.8
153.01845	2.5
153.05457	2.6
153.06538	1.0
153.09091	0.9
153.10239	3.0
155.00198	0.8
155.03392	2.1
157.01399	0.9
158.01224	1.4
158.69006	0.7
158.99617	5.2
161.01212	14.6
162.01550	1.5
162.99146	2.1
163.07527	6.4
164.07874	0.9
165.00684	3.6
165.97881	1.6
170.01312	1.4
170.04114	3.8
170.05757	3.7
170.08115	10.3
170.09575	12.5
170.11595	1.5
170.12915	4.5
170.15201	1.0
170.54224	1.3
170.99651	1.7
171.02921	4.2
171.06517	1.1
171.07941	1.0
171.14963	2.1
173.01224	1.5
177.00716	7.9
179.02240	3.5
179.04634	6.6
179.54785	1.3
181.00256	0.9
181.01674	1.0
189.00722	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.1223
Annotation	Geranic acid
Peak:m/z	Relative Intensity
55.05497	0.5
57.07066	0.2
59.58616	0.2
65.03940	0.2
65.21651	0.2
67.05504	7.1
68.52826	0.2
69.07058	0.6
70.02538	0.8
71.04990	0.4
76.80298	0.2
79.05490	0.8
79.69576	0.2
81.03427	0.4
81.07056	5.8
83.04978	0.3
85.06514	0.2
85.35673	0.2
91.05476	0.4
93.07029	0.8
95.04990	0.4
95.08617	0.7
96.51534	0.2
97.06541	0.2
100.81418	0.1
105.07027	0.4
106.01676	0.2
107.07866	0.3
107.08588	4.5
109.02906	0.9
109.10154	100.0
110.06019	0.2
110.10478	2.7
111.00803	0.4
111.04467	0.3
111.08099	0.3
123.04435	0.3
123.08125	0.3
123.11707	4.9
123.12587	0.3
124.07548	0.2
125.09633	0.2
126.03139	0.7
127.03898	0.2
133.02856	0.2
133.10114	0.6
140.72163	0.2
141.05482	2.4
151.03888	0.2
151.11186	1.8
169.04964	1.4
169.06421	0.3
169.08670	0.2
169.12215	2.7
170.08183	0.4
170.09628	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.1223
Annotation	(Z)-Isogeranic acid
Peak:m/z	Relative Intensity
53.03946	0.4
55.05489	0.3
55.29959	0.2
56.96565	0.3
57.07068	2.5
65.03938	0.3
67.05506	3.1
69.03381	0.2
69.07055	0.6
69.95576	1.2
71.04981	0.4
73.06575	0.2
74.70966	0.2
79.05494	3.0
81.03421	0.9
81.07053	63.6
82.07386	1.0
83.05013	0.3
83.08635	0.2
85.02911	0.3
93.07032	0.4
95.04980	0.3
95.08593	3.6
107.08568	1.5
109.02843	1.2
109.06532	0.5
109.10152	6.0
111.00805	0.7
111.04431	0.5
121.10102	0.4
123.04473	0.4
123.11700	100.0
124.12035	2.6
126.03165	1.0
133.02934	0.3
133.10106	0.3
141.05464	3.5
151.11171	0.6
152.07100	0.3
154.07794	0.3
167.71510	0.2
169.05013	1.7
169.10049	1.0
169.12225	3.6
170.08138	0.3
170.09673	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.1223
Annotation	(Z)-Isogeranic acid
Peak:m/z	Relative Intensity
50.68365	0.2
53.03924	0.3
55.05513	0.8
56.96572	0.5
57.07076	2.1
59.05013	0.3
63.12791	0.2
64.28555	0.2
65.03931	0.4
67.05505	2.9
69.07050	0.4
71.59846	0.4
79.05495	3.0
81.03415	0.6
81.07054	60.5
82.07379	1.3
83.04927	0.3
83.08626	0.5
93.07050	0.9
95.04964	0.3
95.08604	3.4
105.07021	0.4
107.08591	1.7
107.96581	0.3
109.02865	1.1
109.10155	8.2
111.00813	0.8
111.04472	0.5
111.08099	0.3
121.10133	0.3
123.11703	100.0
124.12064	2.5
126.03132	1.1
130.22086	0.4
133.10143	0.5
141.05487	3.5
142.05829	0.3
151.03960	0.4
151.07448	0.3
151.11157	0.7
169.04961	2.0
169.10022	0.3
169.12247	3.1
170.08217	0.4
170.09679	0.3
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	2,4,4-Trimethyl-1-cyclohexene-1-carboxylic acid
Peak:m/z	Relative Intensity
53.03938	0.3
54.57965	0.3
55.05515	1.0
56.96555	0.6
57.07071	2.6
57.17443	0.3
59.04990	0.6
63.53870	0.3
65.03939	0.7
67.05508	3.3
68.99808	0.3
69.07073	1.2
69.97965	1.6
71.04984	0.7
73.06557	0.5
79.05492	3.2
80.07116	0.3
81.03424	1.1
81.07053	64.2
82.07386	1.5
83.04967	0.9
85.02908	0.5
88.01888	0.3
91.05466	0.4
93.07037	1.1
95.04975	0.8
95.08611	4.4
98.03648	0.3
99.04409	0.3
105.07026	0.8
107.08606	2.3
109.02863	2.0
109.06510	1.1
109.10155	3.2
110.06042	0.3
111.00805	1.4
111.04424	1.1
111.08077	0.9
113.06032	0.4
121.10143	0.6
123.04384	0.6
123.11703	100.0
124.04671	0.8
124.07562	0.5
124.12048	2.5
126.03135	2.4
133.05209	0.5
135.55421	0.4
141.05466	7.2
151.03833	0.6
151.11246	1.5
152.07039	0.4
154.02615	0.3
169.04964	3.5
169.08717	0.5
169.12244	3.7
170.08171	0.3
170.09593	0.5
181.54218	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.1222
Annotation	Chrysanthemic acid
Peak:m/z	Relative Intensity
53.03942	0.3
55.01844	0.4
55.05504	0.9
56.96558	0.7
57.03422	0.5
57.07064	0.5
59.05007	0.5
65.03942	0.5
67.05505	8.0
69.07074	2.1
71.04982	1.7
71.33979	0.6
71.34335	0.4
73.06544	0.5
75.46936	0.3
79.05474	0.9
80.01839	0.3
81.03403	0.6
81.07056	9.5
83.04949	0.4
85.06585	0.4
91.05480	0.7
93.07056	1.2
93.15510	0.3
95.04939	0.5
95.08596	1.7
97.06548	0.9
100.59281	0.3
105.07018	0.9
107.08596	4.9
109.02888	1.3
109.06519	1.5
109.10152	100.0
110.10486	2.1
111.00789	0.9
111.04485	0.5
113.06009	0.3
121.10138	0.8
123.04449	0.5
123.11706	8.6
124.04651	0.5
124.07558	0.4
126.03120	1.6
133.10109	1.4
136.08846	0.5
141.05447	4.2
146.96014	0.4
151.03842	0.4
151.11177	6.1
169.04945	1.8
169.12233	3.5
170.08110	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.1222
Annotation	Geranic acid
Peak:m/z	Relative Intensity
55.05500	0.4
56.96540	0.3
57.07053	0.2
63.77919	0.1
67.05504	6.7
69.07057	0.5
69.68451	1.2
71.04997	0.3
79.05483	0.6
81.03413	0.4
81.07056	3.8
82.24939	0.2
83.04954	0.3
84.04472	0.1
85.02896	0.2
87.15041	0.2
93.07036	0.7
95.04975	0.3
95.08604	0.5
99.04483	0.2
105.07031	0.5
107.08590	4.4
109.02881	1.0
109.10152	100.0
110.10487	2.4
111.00789	0.4
111.04431	0.4
123.04447	0.2
123.08080	0.4
123.11697	3.0
124.04720	0.2
124.07562	0.2
126.03138	0.6
133.10106	0.8
141.05438	2.0
151.04016	0.2
151.11192	1.6
169.04979	1.5
169.09972	0.2
169.12251	2.5
170.09558	0.3
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	Geranic acid
Peak:m/z	Relative Intensity
55.01870	0.8
55.05508	2.8
56.96585	0.6
57.03445	0.8
57.07077	0.8
59.04995	6.9
59.06122	1.0
65.03944	2.0
65.71661	0.5
67.05508	5.0
68.99757	0.6
69.03428	1.2
69.07075	4.3
70.09674	0.6
70.88093	1.0
70.88412	0.6
71.04987	3.6
72.08169	0.6
75.04475	2.1
78.22601	0.5
78.81294	0.5
79.05486	3.5
81.03422	2.7
81.06294	0.6
81.07054	13.8
83.04980	6.5
83.06091	0.7
85.02900	0.6
85.06547	1.0
85.07647	0.6
91.05479	4.5
93.03417	0.7
93.07044	7.4
95.04977	2.1
95.08604	4.0
97.06522	1.5
99.04461	0.7
104.33341	0.5
105.07026	4.8
107.08593	100.0
108.08939	2.3
109.02870	6.3
109.06506	7.0
109.07640	0.9
109.10152	14.2
110.07165	0.8
111.00802	4.4
111.04480	2.4
111.08084	1.6
111.09202	3.2
111.95033	0.5
113.05994	0.8
119.06043	0.8
121.10109	0.6
123.04443	1.7
123.08073	4.2
123.11700	11.9
124.07618	0.5
124.08767	0.7
124.12068	0.5
125.05950	0.7
125.09676	0.8
126.03136	5.8
126.10297	1.0
127.03916	1.4
127.30393	0.5
128.95145	0.5
133.10138	5.8
141.05463	18.9
142.08679	0.6
146.54013	0.6
151.03922	2.1
151.11172	21.9
152.08205	0.6
152.11633	0.7
154.02603	0.9
169.04973	10.2
169.07591	1.6
169.09908	1.0
169.12244	12.0
169.14511	0.9
170.08185	1.1
170.09534	0.8
176.21463	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.1223
Annotation	2,4,4-Trimethyl-1-cyclohexene-1-carboxylic acid
Peak:m/z	Relative Intensity
53.03946	0.3
55.05509	0.5
57.07076	1.9
59.04989	0.3
63.79374	0.2
67.05499	2.1
69.07041	0.3
71.04977	0.3
79.05489	2.7
81.03384	0.4
81.07053	65.0
82.07385	1.0
83.04993	0.3
95.04931	0.3
95.08598	3.4
98.20705	0.5
107.08549	0.3
109.02845	0.3
109.10166	0.9
111.08109	0.6
123.11699	100.0
124.12032	3.0
126.03147	0.4
133.58446	0.2
141.05463	1.6
151.11217	0.6
165.36316	0.2
169.04945	0.8
169.12230	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	169.1223
Annotation	Chrysanthemic acid
Peak:m/z	Relative Intensity
53.03941	0.3
55.05515	0.4
57.07079	2.1
57.44403	0.2
59.04997	0.3
62.78162	0.2
67.05502	2.7
69.07084	0.5
71.04414	0.4
71.99919	0.2
74.06909	0.2
79.05489	2.5
81.03442	0.3
81.07057	64.1
82.07391	1.1
84.74915	0.2
93.07034	0.4
95.05039	0.2
95.08610	3.6
105.07043	0.4
107.08606	0.6
108.09397	0.2
109.02900	0.6
109.10139	1.0
111.00803	0.3
111.04479	0.3
118.05794	0.2
121.10172	0.4
121.40976	0.2
123.11707	100.0
124.04655	0.4
124.12045	2.8
126.03149	0.5
141.05444	1.6
151.11168	0.4
152.97285	0.2
169.04959	0.9
169.12253	3.1
170.08217	0.2
170.09746	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0495
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00306	0.3
53.03947	0.7
53.05777	0.3
55.01868	0.6
55.05507	3.9
57.03449	0.3
65.03938	0.4
67.05503	1.3
68.99776	1.8
69.03443	0.4
69.07073	0.7
71.04989	1.8
71.22050	0.6
71.42854	0.3
72.08134	0.3
79.05487	0.6
81.03403	0.8
81.07064	1.9
83.04968	1.6
84.08111	0.3
85.02898	0.7
87.37290	0.3
93.07050	0.9
94.23508	0.3
95.04958	0.5
95.08594	0.6
97.02890	1.2
98.03668	2.2
99.04457	0.6
105.07002	0.7
107.08600	1.8
109.02880	3.1
109.06524	0.4
109.10154	2.7
111.00800	20.5
111.04448	0.5
111.08106	0.7
111.09196	1.4
112.01128	0.4
113.06010	0.7
119.01845	0.3
123.04407	0.5
123.08037	0.3
123.11713	1.0
124.07621	0.4
125.02335	0.4
125.06004	0.4
126.03133	25.8
127.03580	0.3
133.10147	0.6
141.05460	100.0
142.05817	2.6
151.03929	0.3
151.11188	0.7
169.04961	61.2
170.05226	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0495
Annotation	2,6-Dimethoxybenzoquinone
Peak:m/z	Relative Intensity
53.00306	0.3
53.03947	0.7
53.05777	0.3
55.01868	0.6
55.05507	3.9
57.03449	0.3
65.03938	0.4
67.05503	1.3
68.99776	1.8
69.03443	0.4
69.07073	0.7
71.04989	1.8
71.22050	0.6
71.42854	0.3
72.08134	0.3
79.05487	0.6
81.03403	0.8
81.07064	1.9
83.04968	1.6
84.08111	0.3
85.02898	0.7
87.37290	0.3
93.07050	0.9
94.23508	0.3
95.04958	0.5
95.08594	0.6
97.02890	1.2
98.03668	2.2
99.04457	0.6
105.07002	0.7
107.08600	1.8
109.02880	3.1
109.06524	0.4
109.10154	2.7
111.00800	20.5
111.04448	0.5
111.08106	0.7
111.09196	1.4
112.01128	0.4
113.06010	0.7
119.01845	0.3
123.04407	0.5
123.08037	0.3
123.11713	1.0
124.07621	0.4
125.02335	0.4
125.06004	0.4
126.03133	25.8
127.03580	0.3
133.10147	0.6
141.05460	100.0
142.05817	2.6
151.03929	0.3
151.11188	0.7
169.04961	61.2
170.05226	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	168.0657
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.3
54.03480	0.7
55.01885	2.4
55.05500	3.0
55.65981	0.4
56.00278	0.4
56.05053	1.7
56.96564	41.8
57.03436	5.3
57.03652	0.4
57.80870	0.4
58.06589	2.3
58.96177	0.5
59.05027	1.1
59.06133	1.2
60.04537	2.3
60.95842	0.7
61.02933	2.7
65.03938	3.4
67.05501	4.7
67.05769	0.4
67.51086	0.9
67.92523	1.4
67.93584	0.6
68.05031	2.7
68.99805	1.3
69.03432	9.6
69.04585	0.6
69.07069	3.4
69.62964	1.1
69.63393	2.4
70.06591	2.7
70.98128	0.6
71.01363	1.2
71.04993	3.7
71.07416	0.4
71.95255	1.1
72.04534	0.6
72.08170	1.3
73.02913	4.6
73.06553	0.9
74.97628	1.7
75.04469	0.6
76.51581	0.8
76.97153	0.5
77.00792	1.7
79.01858	0.8
79.05486	3.0
80.05014	4.4
80.05807	0.6
81.03418	19.1
81.04530	1.2
81.07059	4.5
82.03748	1.3
82.06591	2.2
82.94833	2.9
83.00812	0.6
83.01329	0.9
83.04977	4.0
83.06099	3.0
83.97643	0.8
84.01583	1.8
84.04517	1.5
84.08153	1.8
84.96037	3.7
85.02906	7.3
85.06547	1.0
85.07671	0.6
85.94559	0.6
86.01289	0.6
86.03228	0.7
86.06084	1.2
87.04465	1.5
88.02349	0.5
88.99157	0.9
89.00805	0.8
90.01555	0.8
91.00523	1.8
91.02324	0.5
91.05491	5.8
92.01316	0.9
92.05788	0.7
92.98654	0.6
93.03413	1.7
93.07036	1.6
94.06568	6.9
94.07151	0.7
94.07395	0.7
95.00772	0.7
95.04971	6.8
95.06083	2.1
95.08601	2.2
96.01546	1.3
96.04493	1.0
96.05635	0.6
96.08138	1.0
96.08897	0.6
97.02325	1.5
97.02882	5.7
97.03922	0.7
97.06511	1.2
97.07667	2.1
97.96852	0.6
97.99191	2.3
98.01296	1.4
98.03678	0.6
98.06078	2.5
98.97012	0.7
98.97595	8.4
99.02045	1.2
99.04446	3.9
99.08064	0.7
99.09190	0.6
100.01032	2.3
100.02467	0.9
100.03999	0.4
100.07681	0.6
100.95876	0.9
100.99126	0.8
101.00763	0.7
101.02419	0.5
102.01543	1.5
102.03383	1.7
102.97035	1.1
103.00512	0.6
103.02344	1.3
104.01304	0.9
104.05001	0.6
105.00264	0.7
105.02058	1.3
105.02681	0.5
105.07025	1.6
106.02870	0.9
106.04071	0.6
106.06591	0.9
107.04953	100.0
107.08584	2.0
108.04472	7.5
108.05293	2.5
108.08914	1.4
109.02880	26.6
109.05154	1.1
109.06496	1.8
109.07638	6.3
109.10149	2.2
110.01268	2.0
110.06040	1.8
110.07141	1.7
110.08427	1.0
110.51447	1.1
110.97576	1.2
111.00835	2.3
111.02082	2.7
111.03920	0.8
111.04475	6.0
111.05570	0.7
111.08087	0.8
111.09240	2.8
112.01026	3.5
112.02820	0.7
112.06256	0.5
112.07604	1.2
112.09506	0.7
113.02395	1.1
113.06004	0.7
113.07128	0.8
113.52316	1.2
114.02512	0.7
115.02310	5.7
115.03175	0.8
115.04041	0.6
115.97838	0.9
116.00208	3.0
116.01250	1.3
116.98616	9.7
117.00238	2.3
117.01887	3.4
117.52247	0.6
117.98984	0.4
118.00984	1.5
118.03477	0.8
119.00170	1.6
119.01836	4.4
119.04929	3.6
119.51952	0.9
119.99648	0.5
120.98013	0.6
121.01582	7.1
121.02837	0.5
121.06482	1.7
121.07584	0.5
121.52071	0.8
122.02061	2.3
122.06034	10.1
122.06903	0.6
122.10463	1.2
122.52850	2.7
123.04423	3.5
123.05497	1.2
123.06616	0.7
123.08061	1.4
123.09169	1.6
123.11678	2.8
123.97474	2.3
124.02837	0.9
124.04666	3.1
124.07594	1.1
124.08553	0.6
125.01713	2.4
125.05981	0.9
125.07059	2.3
126.00745	8.3
126.03256	3.7
126.05506	13.2
126.06452	0.8
126.10211	1.1
126.52780	1.5
126.93754	1.0
127.01517	5.2
127.02347	1.6
127.03912	7.1
127.08647	1.4
128.02312	3.9
128.98608	2.9
129.01891	1.0
130.52539	0.9
131.00153	1.3
131.01834	1.0
131.02734	0.6
131.53415	0.7
132.00697	1.2
132.04362	0.9
133.01488	1.0
133.02740	0.6
133.05132	3.8
133.06485	1.6
133.10077	0.7
133.98892	0.6
134.00397	0.8
134.01305	1.1
134.02289	3.2
134.99661	9.4
135.01216	1.0
135.03186	0.5
135.04468	1.0
135.53233	0.6
135.55391	0.9
136.02028	1.4
136.02907	0.8
136.52534	1.6
137.01186	0.8
137.05981	3.2
137.51538	0.9
138.03494	0.6
138.10236	0.8
139.02637	2.1
139.03844	1.1
139.53079	1.0
140.00275	0.6
140.03136	2.7
140.07097	3.0
140.10661	0.6
141.01222	1.0
141.02220	0.9
141.05472	14.2
141.10167	0.9
142.03450	0.6
143.00060	0.7
143.01036	0.9
144.03198	1.2
144.94798	0.7
144.95808	1.0
144.98128	2.8
145.01700	1.5
145.03485	5.1
145.04602	0.7
145.51247	0.8
145.53072	1.7
146.04131	1.2
146.99641	5.2
147.03065	0.9
148.02808	1.1
149.01173	3.8
150.00694	0.7
150.05501	22.5
150.07709	1.6
150.09093	1.4
150.10173	1.5
151.03864	2.9
151.06160	4.2
151.07449	1.1
151.08636	2.1
151.11110	0.9
152.07048	0.5
153.00697	1.0
153.55881	0.7
154.02606	1.0
154.59059	2.0
155.04614	0.8
156.01781	0.6
156.03499	1.3
156.04782	0.6
157.04208	0.7
158.01170	1.1
158.99644	1.1
159.03140	0.7
161.01175	3.1
161.02776	0.8
161.04817	1.4
162.03026	0.9
162.04297	0.7
162.95842	2.8
162.97003	1.0
162.99133	8.2
163.02815	3.7
163.04506	2.0
165.00659	1.1
166.04797	0.6
167.02243	0.7
167.55641	0.5
168.02858	1.1
168.05211	3.4
168.06523	16.3
168.07562	0.7
168.08797	1.6
168.11349	6.1
168.13574	0.6
169.01585	0.6
169.03450	0.7
169.04961	6.4
169.12169	1.2
170.01273	0.6
172.02715	0.5
173.01155	1.1
173.04771	1.0
174.00668	0.6
174.99060	0.7
175.02750	0.5
177.00652	1.6
177.05771	0.5
178.03668	1.1
178.05022	0.6
179.02328	0.9
179.05812	0.5
181.00092	2.0
181.03767	1.5
181.98685	0.5
182.20509	0.5
184.02499	0.5
185.01135	0.6
185.97417	0.9
186.00677	1.1
186.04355	0.7
186.99101	0.7
187.02724	1.1
189.00598	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1067
Annotation	(E)-Lyratic acid
Peak:m/z	Relative Intensity
53.03928	2.9
55.01866	2.8
55.05499	3.6
57.07056	1.2
59.04977	3.0
59.06118	2.2
59.18011	0.9
59.75371	0.9
65.03917	1.7
67.05491	3.5
68.05010	1.3
69.03420	3.8
69.07069	2.3
71.03966	2.3
71.04988	1.2
72.94379	0.9
78.04698	2.3
78.61320	1.0
79.05489	30.5
81.07054	10.0
82.04185	1.2
82.06559	1.9
83.04975	5.0
83.06103	1.5
85.06581	1.2
91.05482	27.7
93.07043	21.1
95.04967	6.6
95.08600	3.5
97.06522	4.8
103.05452	1.1
105.07032	13.9
106.04199	1.4
107.04961	2.5
107.08592	100.0
108.08915	1.9
109.02848	1.0
109.06512	18.1
109.07647	3.7
110.08418	1.0
111.04438	4.5
111.08054	2.0
111.09204	2.2
119.04931	0.9
119.06077	1.3
119.08563	1.3
121.01637	1.6
121.02860	6.1
121.06507	15.3
121.10137	15.0
122.07026	1.5
123.04411	5.8
123.08044	5.8
124.05201	2.1
124.08696	1.3
125.05992	1.2
125.09623	33.2
126.09972	1.0
129.07016	1.1
131.07712	0.9
131.08556	6.1
136.08830	1.0
138.23337	0.9
139.07526	1.2
139.11157	2.6
146.82571	0.9
149.02391	1.3
149.06001	4.4
149.09608	19.1
150.10289	4.6
150.11224	0.9
152.04663	8.3
167.07037	87.5
167.10666	30.5
167.12946	2.3
168.07430	1.4
168.11095	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1067
Annotation	(E)-Lyratic acid
Peak:m/z	Relative Intensity
51.19433	0.9
55.01867	1.6
55.05507	2.2
57.03419	1.0
57.07057	0.8
59.04996	1.8
59.06107	0.8
67.05485	2.5
69.03420	2.9
69.07045	1.5
71.32244	1.8
79.05058	1.2
79.05492	17.9
81.03506	0.8
81.07043	7.3
83.04974	3.2
91.05473	12.7
93.07033	8.0
95.04945	2.2
95.08590	2.1
97.06522	1.5
105.07018	8.9
107.04964	1.7
107.08588	100.0
108.08913	2.2
109.05799	1.2
109.06516	17.3
109.07312	1.0
109.07613	1.5
111.04413	2.7
111.09167	1.3
119.08585	1.0
121.02857	6.0
121.06502	2.7
121.10140	13.0
123.04388	2.0
123.08085	4.3
123.11701	0.9
124.05187	1.0
125.05954	1.1
125.09624	38.9
126.09951	1.2
131.08557	4.8
139.11168	3.3
149.05952	2.3
149.09612	17.3
150.10188	1.6
154.06815	0.8
167.07033	11.5
167.10666	31.4
185.19868	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1067
Annotation	(+)-Teucriumlactone
Peak:m/z	Relative Intensity
53.03945	1.1
55.01872	1.0
55.05507	1.6
57.03433	0.9
59.04997	10.1
65.03961	0.9
67.05502	8.3
69.03433	1.8
69.07067	1.1
71.13765	1.0
73.02921	2.1
77.03983	0.6
78.04710	2.7
79.05492	9.2
81.07056	83.1
82.07394	1.5
83.04989	1.9
87.04468	50.1
91.05493	2.2
93.03404	0.6
93.07048	14.5
93.07633	1.1
95.04964	1.3
95.08604	39.9
96.08944	0.7
97.06536	1.4
101.06020	3.6
105.07012	0.7
106.04181	1.3
107.04936	2.1
107.08608	4.6
109.06541	0.7
111.04449	5.2
111.08079	0.7
121.06463	0.7
121.10141	24.3
121.11021	1.2
122.10447	0.6
123.04430	5.2
123.11697	1.1
124.05205	1.5
125.05997	4.9
131.08583	1.2
139.11177	24.6
140.11513	0.9
149.05980	1.0
149.09650	5.5
151.03935	1.0
152.04701	1.7
153.67975	0.6
167.07040	29.0
167.10674	100.0
168.11005	2.3
185.11713	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	168.0657
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.3
54.03480	0.7
55.01885	2.4
55.05500	3.0
55.65981	0.4
56.00278	0.4
56.05053	1.7
56.96564	41.8
57.03436	5.3
57.03652	0.4
57.80870	0.4
58.06589	2.3
58.96177	0.5
59.05027	1.1
59.06133	1.2
60.04537	2.3
60.95842	0.7
61.02933	2.7
65.03938	3.4
67.05501	4.7
67.05769	0.4
67.51086	0.9
67.92523	1.4
67.93584	0.6
68.05031	2.7
68.99805	1.3
69.03432	9.6
69.04585	0.6
69.07069	3.4
69.62964	1.1
69.63393	2.4
70.06591	2.7
70.98128	0.6
71.01363	1.2
71.04993	3.7
71.07416	0.4
71.95255	1.1
72.04534	0.6
72.08170	1.3
73.02913	4.6
73.06553	0.9
74.97628	1.7
75.04469	0.6
76.51581	0.8
76.97153	0.5
77.00792	1.7
79.01858	0.8
79.05486	3.0
80.05014	4.4
80.05807	0.6
81.03418	19.1
81.04530	1.2
81.07059	4.5
82.03748	1.3
82.06591	2.2
82.94833	2.9
83.00812	0.6
83.01329	0.9
83.04977	4.0
83.06099	3.0
83.97643	0.8
84.01583	1.8
84.04517	1.5
84.08153	1.8
84.96037	3.7
85.02906	7.3
85.06547	1.0
85.07671	0.6
85.94559	0.6
86.01289	0.6
86.03228	0.7
86.06084	1.2
87.04465	1.5
88.02349	0.5
88.99157	0.9
89.00805	0.8
90.01555	0.8
91.00523	1.8
91.02324	0.5
91.05491	5.8
92.01316	0.9
92.05788	0.7
92.98654	0.6
93.03413	1.7
93.07036	1.6
94.06568	6.9
94.07151	0.7
94.07395	0.7
95.00772	0.7
95.04971	6.8
95.06083	2.1
95.08601	2.2
96.01546	1.3
96.04493	1.0
96.05635	0.6
96.08138	1.0
96.08897	0.6
97.02325	1.5
97.02882	5.7
97.03922	0.7
97.06511	1.2
97.07667	2.1
97.96852	0.6
97.99191	2.3
98.01296	1.4
98.03678	0.6
98.06078	2.5
98.97012	0.7
98.97595	8.4
99.02045	1.2
99.04446	3.9
99.08064	0.7
99.09190	0.6
100.01032	2.3
100.02467	0.9
100.03999	0.4
100.07681	0.6
100.95876	0.9
100.99126	0.8
101.00763	0.7
101.02419	0.5
102.01543	1.5
102.03383	1.7
102.97035	1.1
103.00512	0.6
103.02344	1.3
104.01304	0.9
104.05001	0.6
105.00264	0.7
105.02058	1.3
105.02681	0.5
105.07025	1.6
106.02870	0.9
106.04071	0.6
106.06591	0.9
107.04953	100.0
107.08584	2.0
108.04472	7.5
108.05293	2.5
108.08914	1.4
109.02880	26.6
109.05154	1.1
109.06496	1.8
109.07638	6.3
109.10149	2.2
110.01268	2.0
110.06040	1.8
110.07141	1.7
110.08427	1.0
110.51447	1.1
110.97576	1.2
111.00835	2.3
111.02082	2.7
111.03920	0.8
111.04475	6.0
111.05570	0.7
111.08087	0.8
111.09240	2.8
112.01026	3.5
112.02820	0.7
112.06256	0.5
112.07604	1.2
112.09506	0.7
113.02395	1.1
113.06004	0.7
113.07128	0.8
113.52316	1.2
114.02512	0.7
115.02310	5.7
115.03175	0.8
115.04041	0.6
115.97838	0.9
116.00208	3.0
116.01250	1.3
116.98616	9.7
117.00238	2.3
117.01887	3.4
117.52247	0.6
117.98984	0.4
118.00984	1.5
118.03477	0.8
119.00170	1.6
119.01836	4.4
119.04929	3.6
119.51952	0.9
119.99648	0.5
120.98013	0.6
121.01582	7.1
121.02837	0.5
121.06482	1.7
121.07584	0.5
121.52071	0.8
122.02061	2.3
122.06034	10.1
122.06903	0.6
122.10463	1.2
122.52850	2.7
123.04423	3.5
123.05497	1.2
123.06616	0.7
123.08061	1.4
123.09169	1.6
123.11678	2.8
123.97474	2.3
124.02837	0.9
124.04666	3.1
124.07594	1.1
124.08553	0.6
125.01713	2.4
125.05981	0.9
125.07059	2.3
126.00745	8.3
126.03256	3.7
126.05506	13.2
126.06452	0.8
126.10211	1.1
126.52780	1.5
126.93754	1.0
127.01517	5.2
127.02347	1.6
127.03912	7.1
127.08647	1.4
128.02312	3.9
128.98608	2.9
129.01891	1.0
130.52539	0.9
131.00153	1.3
131.01834	1.0
131.02734	0.6
131.53415	0.7
132.00697	1.2
132.04362	0.9
133.01488	1.0
133.02740	0.6
133.05132	3.8
133.06485	1.6
133.10077	0.7
133.98892	0.6
134.00397	0.8
134.01305	1.1
134.02289	3.2
134.99661	9.4
135.01216	1.0
135.03186	0.5
135.04468	1.0
135.53233	0.6
135.55391	0.9
136.02028	1.4
136.02907	0.8
136.52534	1.6
137.01186	0.8
137.05981	3.2
137.51538	0.9
138.03494	0.6
138.10236	0.8
139.02637	2.1
139.03844	1.1
139.53079	1.0
140.00275	0.6
140.03136	2.7
140.07097	3.0
140.10661	0.6
141.01222	1.0
141.02220	0.9
141.05472	14.2
141.10167	0.9
142.03450	0.6
143.00060	0.7
143.01036	0.9
144.03198	1.2
144.94798	0.7
144.95808	1.0
144.98128	2.8
145.01700	1.5
145.03485	5.1
145.04602	0.7
145.51247	0.8
145.53072	1.7
146.04131	1.2
146.99641	5.2
147.03065	0.9
148.02808	1.1
149.01173	3.8
150.00694	0.7
150.05501	22.5
150.07709	1.6
150.09093	1.4
150.10173	1.5
151.03864	2.9
151.06160	4.2
151.07449	1.1
151.08636	2.1
151.11110	0.9
152.07048	0.5
153.00697	1.0
153.55881	0.7
154.02606	1.0
154.59059	2.0
155.04614	0.8
156.01781	0.6
156.03499	1.3
156.04782	0.6
157.04208	0.7
158.01170	1.1
158.99644	1.1
159.03140	0.7
161.01175	3.1
161.02776	0.8
161.04817	1.4
162.03026	0.9
162.04297	0.7
162.95842	2.8
162.97003	1.0
162.99133	8.2
163.02815	3.7
163.04506	2.0
165.00659	1.1
166.04797	0.6
167.02243	0.7
167.55641	0.5
168.02858	1.1
168.05211	3.4
168.06523	16.3
168.07562	0.7
168.08797	1.6
168.11349	6.1
168.13574	0.6
169.01585	0.6
169.03450	0.7
169.04961	6.4
169.12169	1.2
170.01273	0.6
172.02715	0.5
173.01155	1.1
173.04771	1.0
174.00668	0.6
174.99060	0.7
175.02750	0.5
177.00652	1.6
177.05771	0.5
178.03668	1.1
178.05022	0.6
179.02328	0.9
179.05812	0.5
181.00092	2.0
181.03767	1.5
181.98685	0.5
182.20509	0.5
184.02499	0.5
185.01135	0.6
185.97417	0.9
186.00677	1.1
186.04355	0.7
186.99101	0.7
187.02724	1.1
189.00598	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1066
Annotation	(+)-Teucriumlactone
Peak:m/z	Relative Intensity
53.03928	5.3
55.01861	5.3
55.05516	10.8
56.96571	2.3
57.03413	3.1
57.07077	7.3
59.05003	17.4
63.92703	2.4
65.03953	3.3
67.05186	2.8
67.05498	16.6
69.03432	22.0
69.07074	15.6
69.40958	5.0
69.41367	15.8
71.04987	8.6
79.05485	32.1
80.01231	2.2
80.24426	1.8
81.03421	8.6
81.07052	30.9
83.04976	21.7
84.62692	2.1
84.96033	15.0
85.02905	4.0
85.06516	2.9
87.04489	3.3
87.06817	2.3
91.05470	33.0
92.05787	3.1
93.06152	3.5
93.07037	54.2
95.04950	12.0
95.08601	26.2
97.02870	4.3
97.06523	38.2
97.10194	3.6
98.06045	2.2
102.97066	3.4
103.00611	2.5
104.41380	2.3
105.07026	21.0
107.04956	9.0
107.08588	93.5
109.02894	13.1
109.06505	22.7
109.10144	22.8
111.04435	7.6
111.08083	7.3
119.04946	15.3
119.08583	4.8
120.05254	3.9
121.01678	37.3
121.02916	3.9
121.05537	13.7
121.06509	9.8
121.10135	83.7
121.99292	2.8
123.04420	9.5
123.08079	29.5
124.05219	2.6
125.05981	16.1
125.08258	4.1
125.09621	100.0
126.05508	5.0
127.03904	5.1
131.08563	9.6
135.11667	4.3
137.05872	2.0
139.02713	20.8
139.03732	3.6
139.07564	4.4
139.11172	70.3
139.12210	4.6
140.00403	2.4
143.96684	3.2
144.03201	31.8
147.04362	14.2
149.02361	6.1
149.04964	60.5
149.09627	31.0
150.05351	2.4
159.09221	2.4
161.62901	2.2
162.04301	17.6
163.01988	2.8
167.03386	9.4
167.04807	4.3
167.07037	43.7
167.08386	4.1
167.10674	63.1
167.14340	8.6
168.06593	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	167.1067
Annotation	(E)-Lyratic acid
Peak:m/z	Relative Intensity
51.95992	0.4
52.19153	0.4
53.03944	3.2
54.70518	0.4
55.01875	1.4
55.05509	1.9
55.05752	0.4
57.03438	13.7
57.07096	0.7
59.05000	1.1
65.03948	0.8
67.05502	1.6
69.03422	1.5
69.07069	1.3
69.47246	3.6
69.47648	1.0
71.04984	0.6
75.04482	9.9
77.03922	0.8
78.04691	0.6
79.05496	10.7
80.03870	0.4
81.03416	0.7
81.07060	17.7
83.04986	1.9
83.08628	1.1
85.02910	0.9
91.05486	21.7
93.07044	100.0
94.07372	2.0
95.04965	7.7
95.08613	4.0
97.06543	1.5
99.04471	0.4
103.05477	0.6
105.04523	1.2
105.07026	5.0
106.46637	0.4
107.04947	1.1
107.08598	22.2
109.06518	27.4
109.10147	0.8
111.04417	1.1
111.08085	4.8
116.06256	0.9
119.06042	0.5
119.08617	1.1
121.06502	6.4
121.10146	14.6
123.08095	3.4
123.95914	0.4
125.06029	0.9
125.09627	3.4
129.06993	1.0
131.08574	14.0
139.11171	0.9
149.02342	1.0
149.05989	1.0
149.09621	21.3
150.10178	1.0
152.04805	0.5
167.03436	0.5
167.07042	10.9
167.10681	26.1
168.11020	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1067
Annotation	(+)-Bornane-2,5-dione
Peak:m/z	Relative Intensity
55.01870	1.8
55.05506	1.6
57.07067	0.7
59.04998	1.3
65.03896	0.7
67.05508	1.8
69.03431	5.0
69.04633	0.7
69.07068	1.9
71.34338	1.8
78.04730	1.2
79.05490	6.5
81.07048	6.3
83.04980	3.5
84.96021	1.4
91.05479	3.0
93.07050	6.3
95.04955	0.9
95.08606	6.4
97.06530	2.6
97.10163	1.6
104.55277	0.7
105.07024	5.6
107.04979	1.2
107.08596	22.3
109.02841	1.4
109.06499	2.2
119.08591	1.0
121.01659	3.4
121.06542	1.2
121.10136	18.9
123.08075	11.1
124.08884	0.9
125.09625	100.0
126.09943	2.4
131.08565	1.1
137.87782	0.7
139.02699	2.0
139.11174	6.8
139.24831	0.7
144.03212	3.5
149.04836	1.0
149.05960	1.0
149.09599	5.4
162.04321	0.9
167.07059	5.6
167.10669	60.8
168.11029	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1067
Annotation	(E)-Lyratic acid
Peak:m/z	Relative Intensity
53.03932	2.8
55.01854	3.1
55.05508	6.1
57.03434	1.6
57.07068	1.4
59.05004	11.2
62.19178	1.0
65.03912	1.7
65.96284	0.9
67.05505	10.9
69.03429	14.4
69.07056	6.2
69.33508	0.9
70.97325	0.9
71.02532	0.8
71.04982	2.7
71.59280	1.3
79.05494	20.8
81.07059	18.7
83.01317	2.7
83.04981	16.7
83.08580	1.8
84.96024	3.0
85.02936	1.1
91.05474	15.2
93.07040	36.0
95.04972	5.5
95.08604	43.4
97.02915	2.1
97.06533	23.4
97.10139	1.3
103.05457	2.0
104.04955	2.2
105.07027	21.6
106.07869	1.1
107.04958	11.7
107.08594	58.3
109.02837	1.9
109.06528	8.7
109.10129	1.3
111.04448	2.4
111.08071	2.9
119.08587	3.5
121.01674	6.9
121.05517	0.9
121.06467	2.7
121.10142	100.0
122.10446	2.6
123.04474	1.4
123.08068	68.8
123.11665	1.7
125.05991	12.8
125.09631	70.0
126.09962	1.4
127.03908	1.2
131.08536	8.6
139.02708	4.2
139.11179	48.9
144.03241	7.5
147.04306	1.3
149.04919	5.7
149.07109	2.7
149.09616	30.2
162.04330	3.0
167.03381	1.8
167.07068	5.6
167.10680	45.9
168.10951	1.2
182.40570	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0703
Annotation	Apocynin
Peak:m/z	Relative Intensity
50.20471	0.3
50.89001	0.3
52.71832	0.3
53.03936	1.3
55.01858	0.4
55.05501	0.7
57.03420	0.4
59.05001	1.7
65.03917	0.7
66.04712	0.8
67.05511	2.3
68.99809	0.3
69.03420	0.7
69.07035	0.7
69.26399	3.8
71.04968	0.6
75.31897	0.3
78.04710	10.0
79.05058	0.2
79.05486	6.6
81.03406	1.0
81.07056	14.6
83.04971	0.9
85.02877	0.5
87.04462	8.0
91.05470	1.8
93.03400	0.7
93.07040	4.5
94.04164	0.4
95.04978	2.7
95.08603	5.7
96.05732	0.9
97.06493	0.5
98.21449	0.7
101.06005	0.7
101.16554	0.3
105.03382	0.7
105.07003	1.2
106.04173	4.3
107.04978	2.8
107.08591	4.4
109.02837	1.6
109.06516	1.5
109.07632	0.4
111.04434	1.4
111.08060	0.8
119.04933	0.4
121.01662	0.6
121.02873	0.4
121.05598	0.4
121.06488	2.1
121.10136	7.5
122.03638	1.1
122.07182	0.3
123.04427	19.3
123.08053	0.8
124.05222	7.3
125.06010	1.7
125.09610	0.9
126.03151	1.2
126.05502	0.3
131.08585	1.0
134.03616	1.3
135.04416	0.9
137.05952	1.0
138.03122	0.5
139.02733	0.5
139.03859	0.6
139.07527	0.8
139.11195	4.2
144.03227	0.4
147.04347	0.4
149.02315	0.7
149.04962	1.5
149.06044	0.8
149.09636	3.3
150.10291	0.4
151.03918	3.7
152.04683	5.4
167.07036	100.0
167.10672	15.4
168.07373	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	167.0702
Annotation	Apocynin
Peak:m/z	Relative Intensity
50.62848	0.3
51.02375	0.3
52.03173	0.3
53.03936	0.9
55.01858	0.3
55.05487	0.3
62.48167	0.3
65.03942	0.6
66.04709	0.6
67.05527	0.3
68.85696	0.3
69.07095	0.3
69.31918	2.0
69.32338	1.1
73.22176	0.3
77.03931	0.5
78.04706	11.3
79.05054	0.6
79.05486	4.8
81.03387	0.8
81.07044	1.2
82.06574	0.3
83.04976	0.7
87.04480	0.4
91.05464	1.0
93.07058	1.7
94.04176	1.0
95.04980	2.3
95.08570	0.3
96.05741	0.9
97.06510	0.4
105.03377	0.8
105.06960	0.5
106.04176	4.7
106.70079	0.3
107.04966	4.5
107.08596	1.6
107.09199	0.3
107.68404	0.3
109.02879	1.3
109.06480	0.7
111.08054	0.5
111.74936	0.3
121.02867	0.5
121.06493	1.4
121.10139	1.2
122.03638	1.0
123.04426	20.8
124.05215	6.8
125.06009	0.7
131.08617	0.3
134.03613	1.2
135.04402	1.2
137.02254	0.3
137.05948	1.0
138.03194	0.4
139.03886	0.3
144.03189	0.4
149.02367	0.4
149.04958	0.4
149.06036	0.6
149.09584	0.8
151.03882	3.2
152.04674	4.9
167.07033	100.0
168.04160	0.5
168.07370	3.0
175.75970	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1067
Annotation	(E)-Lyratic acid
Peak:m/z	Relative Intensity
55.01861	1.0
55.05505	1.7
57.07076	1.6
59.04988	1.6
59.74262	0.5
65.03940	1.0
65.11953	0.5
67.05506	1.8
69.03429	1.6
69.07059	2.2
69.94108	2.5
71.04994	1.1
79.05486	9.6
81.03436	1.2
81.07035	3.8
83.04973	2.4
84.96035	2.5
85.06556	0.6
89.54735	0.6
91.05469	7.8
93.07043	7.4
95.04948	1.7
95.08611	6.4
97.06525	2.5
97.10173	0.6
102.97083	0.9
103.69593	0.7
105.07028	4.4
107.04956	4.0
107.08589	100.0
108.08911	2.3
109.02866	1.1
109.06510	4.9
109.10189	0.7
111.04420	1.8
119.04935	1.5
119.06081	0.6
119.08549	0.6
121.01670	6.8
121.05563	1.5
121.06508	1.6
121.10139	14.8
123.04469	1.1
123.08055	3.6
125.05988	3.9
125.09623	16.8
126.05545	1.1
126.10017	0.8
131.08539	2.6
139.02693	2.7
139.11186	6.4
140.03548	0.5
144.03229	3.9
147.04411	1.8
149.02354	0.9
149.04970	6.6
149.09621	9.6
150.05322	0.6
162.04340	2.3
167.03374	1.7
167.07050	5.5
167.08328	1.1
167.10666	21.0
167.14153	0.6
168.06493	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0546
Annotation	Unknow
Peak:m/z	Relative Intensity
55.24046	0.2
65.03935	0.8
69.64148	0.4
69.64555	1.2
69.98758	0.2
75.35167	0.2
85.98860	0.2
91.05479	17.0
92.05791	0.3
95.04974	0.9
100.48870	0.2
119.01907	0.7
119.04940	41.2
120.05274	0.9
123.04450	1.9
135.48825	0.2
137.02921	0.3
142.03482	0.5
147.04405	100.0
148.04733	2.5
160.04523	0.4
165.05498	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	166.0579
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32960	0.2
53.03948	0.2
55.05502	0.3
56.96554	0.9
59.04996	0.4
65.03934	0.5
66.04295	0.2
67.05501	0.5
69.03423	0.5
69.07060	0.6
69.36507	2.1
73.89544	0.2
79.05497	1.0
80.05029	0.2
81.07055	1.0
83.04967	0.7
83.93030	0.6
84.96040	0.8
91.05484	5.4
92.05811	14.0
93.07035	1.5
94.06541	0.2
94.07394	0.7
95.04955	0.9
95.08602	0.8
96.04691	0.2
96.05296	0.8
96.08945	0.5
97.06530	0.8
102.00964	0.3
102.02241	1.9
105.07023	0.7
106.06549	0.2
106.07365	0.3
107.04956	0.3
107.08598	2.2
109.06532	0.5
109.10119	0.5
111.04416	0.2
119.01897	0.8
119.04948	5.5
119.95096	0.4
119.97283	0.3
120.02004	3.8
120.03423	1.4
120.05273	35.2
120.08145	1.3
120.08923	1.2
121.01682	1.5
121.05562	0.5
121.06503	0.6
121.10138	2.0
122.10452	0.3
123.04428	0.8
123.08074	0.6
123.55473	0.2
124.04755	1.6
124.07561	0.3
124.08407	0.3
125.02409	0.4
125.09631	1.6
128.97838	0.4
137.02953	0.8
137.98354	1.2
138.03065	2.1
138.05412	0.4
138.09927	0.6
139.02678	0.9
139.11180	1.0
142.03502	0.8
142.96692	2.7
143.03625	3.5
144.03233	1.6
147.04428	1.5
148.04742	100.0
149.02357	0.3
149.04990	2.6
149.09621	0.9
149.49146	0.4
151.99554	0.2
161.04680	1.7
162.04301	0.5
165.98285	0.4
166.04926	1.0
166.05853	1.3
166.08536	0.6
166.12309	0.7
167.03369	0.4
167.07039	1.7
167.10674	1.7
167.14355	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	166.0863
Annotation	DL-Phenylalanine
Peak:m/z	Relative Intensity
60.17975	0.2
65.03926	0.2
70.85758	0.3
77.03909	0.2
79.05490	1.3
81.03427	0.2
88.92273	0.2
91.05464	0.7
93.07039	2.4
95.04989	0.3
103.05459	10.0
105.07014	0.2
107.04956	2.8
120.04529	1.3
120.08097	100.0
121.06473	0.2
121.07674	0.2
121.08442	2.8
124.74708	0.1
131.04927	2.5
135.04416	0.2
137.06026	0.2
143.03610	0.2
148.04808	0.1
149.05942	1.0
166.08633	2.0
166.09924	0.2
182.41240	0.2
185.69748	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	165.0547
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
50.00881	0.2
62.48851	0.2
63.66101	0.2
65.03938	0.7
69.31611	0.6
69.32035	1.5
90.72604	0.2
91.05479	19.5
92.05781	0.4
95.04979	1.1
98.20722	0.4
103.05499	0.3
105.07023	0.2
112.52399	0.2
119.04941	42.1
120.05265	0.9
123.04437	1.6
137.05956	0.3
139.06334	0.2
147.04405	100.0
148.04747	2.7
165.05484	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	165.0547
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22767	0.3
54.81038	0.3
55.05497	0.5
65.03940	0.9
67.05491	1.1
68.03744	0.4
69.03417	0.4
69.82312	2.0
79.05489	0.6
81.07050	1.4
83.95700	0.3
91.05479	19.8
93.07034	0.5
95.04959	1.5
95.08591	0.9
98.21424	0.6
105.03415	0.3
105.07043	1.7
107.04930	0.3
107.08623	0.4
109.02880	0.5
109.06506	0.6
109.10139	0.7
119.01942	2.7
119.04939	42.9
119.08575	1.4
120.05280	0.6
122.07203	0.3
123.04424	1.9
123.08072	0.7
124.05192	1.0
133.02846	1.0
133.06490	0.6
137.02939	1.0
137.05052	0.4
137.05949	2.0
137.09566	0.4
142.03474	2.0
147.04405	100.0
147.11703	0.5
148.04761	1.9
160.04556	0.8
165.04370	0.4
165.05508	3.2
165.09105	1.1
165.11417	0.4
165.12764	1.0
175.61656	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0546
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03928	0.5
66.14761	0.2
67.05486	0.4
69.17390	0.2
70.93522	0.4
70.93838	0.3
75.10628	0.2
75.11678	0.2
79.05478	0.3
80.76416	0.3
81.07018	0.3
91.05479	17.3
95.04977	1.3
95.08630	0.3
97.56771	0.2
105.07005	0.4
107.52660	0.3
109.10171	0.3
119.01932	0.7
119.04941	39.3
119.08578	0.8
120.05285	1.0
122.07159	0.4
123.04452	1.5
137.02962	0.4
137.05972	0.7
137.09619	1.2
138.05612	0.3
142.03467	1.3
147.04407	100.0
148.04742	2.2
165.05507	3.5
165.06844	0.4
165.09113	1.8
165.11403	0.4
169.07404	0.3
180.65057	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0546
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
51.02376	0.2
51.17316	0.3
58.24506	0.2
65.03945	1.1
67.05492	0.4
70.65706	0.6
70.66042	0.4
76.65749	0.3
81.07068	0.5
85.29620	0.2
91.05481	17.9
95.04985	1.5
95.05470	0.3
98.60155	0.3
101.00887	0.9
101.02552	0.4
119.01938	7.6
119.04942	41.6
119.08578	0.6
120.05310	0.9
123.04451	1.8
124.02476	0.4
137.02963	3.6
137.09613	0.4
142.03505	6.4
142.96658	0.4
147.04408	100.0
148.04771	2.6
160.04544	2.5
165.01817	0.4
165.05507	2.2
165.09114	0.5
165.11011	0.3
165.12729	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0546
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12003	0.3
53.36030	0.3
65.03944	1.0
71.55428	0.4
80.54333	0.2
90.85120	0.3
91.05480	18.7
95.04964	1.1
101.52692	0.2
119.04940	40.8
120.05258	0.8
123.04439	1.1
126.61883	0.2
129.09912	0.3
142.03415	0.3
147.04407	100.0
148.04726	1.7
165.05542	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0546
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
50.96446	0.2
54.22007	0.2
65.03941	0.9
70.09700	1.1
91.05481	18.7
92.05812	0.5
94.63357	0.2
95.04970	0.9
103.05502	0.3
119.04944	43.6
120.05266	1.0
123.04446	1.6
142.03477	0.6
147.04410	100.0
148.04732	2.2
161.58989	0.2
165.05492	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0546
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
51.02383	0.1
65.03935	1.2
69.47380	0.9
69.47822	0.5
73.53336	0.1
81.00479	0.1
81.35281	0.2
91.05478	19.1
91.55672	0.1
92.05814	0.5
95.04961	1.1
104.93998	0.2
119.04936	44.8
120.05267	0.8
123.04415	1.3
147.04404	100.0
148.04741	2.2
165.05475	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0546
Annotation	Unknow
Peak:m/z	Relative Intensity
55.72154	0.2
56.20121	0.2
63.72854	0.2
65.03934	1.0
69.38828	1.8
74.08725	0.2
74.47517	0.2
77.81485	0.2
86.78873	0.2
91.05479	19.1
92.05832	0.4
95.04961	1.2
103.05481	0.2
119.04939	43.0
119.39133	0.2
120.05259	1.2
123.04406	1.1
142.03394	0.2
147.04405	100.0
148.04749	2.1
165.05437	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0546
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
65.03944	1.2
69.28487	0.8
69.28908	1.2
91.05481	19.5
92.05808	0.4
95.04971	1.3
119.04942	42.4
120.05275	0.8
121.06646	0.2
121.67901	0.2
123.04446	1.2
147.04408	100.0
148.04747	3.1
155.56367	0.2
165.05463	1.4
177.98199	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0546
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
53.03953	0.2
65.03949	1.0
67.05515	0.2
70.08344	0.5
70.08754	0.8
79.05506	0.4
81.07050	0.5
86.15402	0.2
91.05481	19.8
92.05806	0.4
93.07037	0.3
93.17957	0.2
95.04990	1.4
95.06079	0.3
95.08615	0.3
105.07030	0.4
107.08585	0.4
119.01942	1.8
119.04939	44.3
119.08597	0.8
120.05271	1.1
122.07202	0.5
123.04450	2.0
123.08048	0.6
137.02934	0.5
137.05957	1.9
137.09579	0.4
142.03508	1.5
147.04407	100.0
148.04736	2.5
155.49001	0.2
160.04553	0.7
165.05479	3.2
165.09116	0.9
165.11475	0.4
165.12767	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0547
Annotation	Unknow
Peak:m/z	Relative Intensity
61.81401	0.2
65.03945	0.9
70.09943	1.1
73.06991	0.2
73.80446	0.2
85.43836	0.2
87.81250	0.2
91.05480	18.4
92.05783	0.5
95.04970	1.1
105.69532	0.2
118.31232	0.2
119.01966	0.6
119.04941	42.8
120.05225	1.0
120.61086	0.2
123.04427	1.5
137.02899	0.3
142.03484	0.5
143.64735	0.2
147.04407	100.0
148.04738	2.7
160.04630	0.3
165.05467	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0547
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
64.28371	0.2
65.03935	0.9
66.10584	0.2
68.18684	0.2
70.09899	1.1
73.32359	0.2
91.05479	16.3
92.05809	0.4
95.04977	1.1
119.04940	39.2
120.05273	1.0
123.04427	1.6
147.04405	100.0
148.04749	2.9
158.63495	0.2
165.05457	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0546
Annotation	Unknow
Peak:m/z	Relative Intensity
62.51834	0.3
65.03938	0.7
66.96766	0.3
69.83775	1.7
72.35487	0.3
72.35915	0.3
83.98526	0.3
91.05479	15.1
92.05817	0.3
95.04962	0.8
110.37307	0.3
119.01987	1.5
119.04937	36.8
120.04455	0.3
120.05281	0.8
123.04423	1.2
123.64405	0.3
137.02963	0.5
142.03552	1.4
147.04404	100.0
148.04764	2.6
159.00783	0.3
160.04628	0.5
165.05499	2.0
165.08972	0.3
177.70511	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0546
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
50.82046	0.2
55.69921	0.2
57.11974	0.2
65.03934	0.8
69.38509	1.9
77.30443	0.2
80.63047	0.2
84.92778	0.2
85.46451	0.2
91.05480	17.3
95.04987	1.2
96.74686	0.2
114.48450	0.2
114.71048	0.2
119.04940	40.7
120.05273	0.5
123.04440	1.9
128.02747	0.2
137.02905	0.3
142.03485	0.6
147.04405	100.0
148.04726	2.6
165.05502	1.6
166.77554	0.2
171.10999	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0547
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60815	0.2
56.60044	0.2
65.03935	0.9
65.84165	0.2
70.09692	0.9
70.10095	0.3
78.71751	0.2
79.71513	0.2
82.74100	0.2
87.52776	0.2
91.05479	16.7
92.05820	0.4
95.04964	1.0
98.20922	0.4
107.08590	0.2
118.41508	0.2
119.01936	0.6
119.04939	38.8
120.05239	1.1
123.04422	1.4
137.02939	0.4
142.03493	0.5
147.04405	100.0
148.04747	2.6
160.04424	0.3
165.05505	1.2
177.71013	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0509
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23195	0.4
65.63362	0.3
66.31725	0.3
71.12605	0.6
78.95039	0.3
82.01425	0.3
82.99856	1.2
100.02480	1.4
101.00867	15.6
101.02609	0.5
102.00925	0.6
118.03520	0.8
119.01910	100.0
120.01997	4.1
121.02307	0.5
124.02428	4.4
137.02945	39.6
137.51469	0.3
138.03041	1.9
142.03487	90.3
143.03618	4.9
160.04543	37.6
161.04735	2.6
163.52577	0.4
165.05119	3.6
183.06111	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0546
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00319	0.2
65.03935	0.7
67.05508	0.2
71.42477	0.5
73.85494	0.2
75.49613	0.2
80.48663	0.2
91.05475	17.0
92.05817	0.4
95.04979	0.8
101.00835	0.2
102.44061	0.2
119.01938	1.7
119.04935	40.0
120.05273	0.8
123.04422	1.4
133.08206	0.2
137.02936	0.7
142.03491	1.5
147.04401	100.0
148.04745	2.0
148.09932	0.2
160.04526	0.6
165.05501	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0547
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	0.3
65.03951	0.9
69.47153	2.3
69.47553	0.6
91.05482	16.0
92.05804	0.3
94.85670	0.2
95.04973	1.0
119.04944	40.3
120.05295	0.9
122.94751	0.3
123.04440	1.2
124.02257	0.3
147.04410	100.0
148.04752	2.2
156.91162	0.3
165.05458	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0389
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87885	0.6
53.03929	0.9
53.54940	0.5
58.25216	0.6
62.14919	0.5
63.02375	1.4
69.49846	0.6
69.97574	2.2
78.03905	0.6
79.05490	8.5
89.03915	51.5
90.04261	1.4
91.05475	1.1
95.04961	2.8
99.16988	0.6
103.05469	4.1
105.04527	0.6
107.04278	1.1
107.04953	12.6
107.08589	1.3
112.69283	0.6
116.78424	0.6
117.03377	45.6
117.67089	0.6
118.03751	1.2
121.10184	1.2
125.50903	0.7
131.04922	5.1
135.04411	90.1
135.11707	0.8
136.04726	2.3
145.02844	41.4
146.03151	1.3
157.47072	0.5
163.03902	100.0
163.07545	1.8
163.11154	0.9
163.14780	0.8
164.04269	2.4
166.90358	0.7
174.48338	0.6
175.56624	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0753
Annotation	Methyl cinnamate
Peak:m/z	Relative Intensity
51.02387	0.6
53.03944	0.6
57.88424	0.4
63.02375	0.6
65.03929	0.5
66.03445	0.4
67.05492	0.4
69.07065	0.7
69.88452	2.5
72.12720	0.4
77.03918	0.8
79.05488	3.8
81.07056	1.6
89.03918	21.2
90.04283	0.4
91.05477	1.1
93.07063	1.7
95.04975	1.7
95.08582	1.0
97.84406	0.4
103.05469	66.9
104.05804	1.6
105.04514	0.5
105.07066	0.5
107.04959	6.8
107.08620	3.1
117.03381	20.6
118.03679	0.5
121.10152	0.7
131.04926	100.0
132.05249	2.8
132.24677	0.5
135.04417	36.9
136.04768	1.2
145.02838	18.0
145.03973	1.0
146.03197	0.8
163.03908	42.5
163.07541	52.5
163.14807	2.3
164.04286	1.3
164.07877	1.7
173.07848	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.051
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52967	0.3
52.54129	0.3
56.96566	2.3
57.03426	0.7
58.99869	0.6
59.91067	0.3
61.02940	0.6
61.29784	0.3
64.76478	0.3
69.03416	0.5
69.94205	0.7
69.94617	1.1
70.99868	0.3
71.04958	0.4
73.02921	0.7
74.02440	0.7
77.00890	0.4
81.03415	0.4
82.01435	0.5
82.99858	1.0
83.04986	0.7
85.02905	0.4
89.30219	0.3
91.05477	1.3
95.04955	1.7
96.58638	0.3
97.02891	0.4
98.20781	0.3
98.97592	0.8
100.02483	2.2
101.00874	17.1
101.02562	1.4
102.00971	0.5
102.02267	0.6
109.02851	0.4
111.04499	0.3
112.02816	0.7
116.98637	0.6
118.03513	1.4
119.01921	100.0
119.04881	3.1
119.08571	0.4
120.01984	4.1
120.03296	0.4
120.04473	0.9
121.02425	0.4
121.03370	0.5
121.06520	0.5
123.04432	3.5
123.53612	0.6
123.54424	0.4
124.02441	4.8
133.03473	0.6
134.99663	0.4
137.02956	37.0
138.03065	1.4
139.55740	0.4
142.03500	74.9
143.03632	2.4
147.04404	5.6
156.05070	0.4
159.05011	0.4
160.04556	27.6
161.01204	0.5
161.02979	0.4
161.04733	1.4
165.05125	3.6
166.07262	0.6
166.08592	0.6
183.06207	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0389
Annotation	5-Hydroxycoumarin
Peak:m/z	Relative Intensity
52.07526	0.4
53.00608	0.5
53.03952	1.5
53.42836	0.5
63.02387	1.3
66.89577	0.5
70.85265	1.5
79.05488	8.3
89.03916	53.8
90.04256	1.0
95.04971	2.8
106.86199	0.5
107.04362	0.4
107.04947	10.9
117.03376	46.7
118.03709	0.9
133.02853	0.8
135.04411	93.2
136.04730	1.7
145.02843	41.6
146.03203	1.0
158.06017	1.1
163.03902	100.0
164.04266	1.9
168.13834	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0389
Annotation	5-Hydroxycoumarin
Peak:m/z	Relative Intensity
53.03941	1.7
53.47108	0.5
55.01875	0.5
56.18975	0.5
63.02377	1.3
70.83470	1.3
79.05487	7.9
82.46857	0.4
89.03914	53.4
90.04240	1.4
91.05482	0.7
95.04985	2.3
103.05466	8.3
105.04453	0.5
107.04951	11.2
107.05689	0.6
117.03374	49.4
118.03735	1.3
122.07166	0.6
131.04921	12.7
135.04410	90.6
136.04745	1.7
145.02840	45.3
146.03162	1.2
158.06012	0.6
163.03896	100.0
163.07497	2.8
164.04260	2.7
167.48479	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0388
Annotation	5-Hydroxycoumarin
Peak:m/z	Relative Intensity
53.03944	1.6
63.02382	1.9
67.72260	0.7
70.27017	2.8
70.27384	1.3
79.05486	10.2
89.03912	57.4
90.04258	1.3
91.05454	1.1
93.07043	0.6
95.04958	2.5
103.05469	1.9
107.04947	14.1
117.03373	56.7
117.65508	0.6
118.03715	1.1
131.04903	3.6
135.04407	96.6
136.04744	2.4
145.02841	42.3
145.03851	1.5
145.37363	0.6
146.03168	1.5
158.06139	0.8
163.03897	100.0
163.11157	3.6
164.04266	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0389
Annotation	5-Hydroxycoumarin
Peak:m/z	Relative Intensity
53.03948	1.2
55.02701	0.6
55.77453	0.6
63.02374	1.0
69.93385	3.7
72.54222	0.8
79.05490	8.1
88.18522	0.6
89.03915	53.9
90.04238	1.4
95.04968	2.8
98.20834	1.2
100.28617	0.9
103.05461	8.6
107.04954	13.0
107.05624	1.3
107.08651	0.8
108.77749	0.7
117.03379	49.6
118.03716	1.5
131.04919	14.3
135.04413	89.0
136.04770	2.4
145.02846	46.3
146.03116	0.8
158.05988	0.9
163.03902	100.0
163.07515	5.2
164.04259	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	161.1326
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
53.03969	0.7
55.05511	4.7
55.33862	0.5
57.72579	0.5
63.54388	0.5
67.05504	1.1
68.86822	0.5
69.07070	6.4
70.87450	1.1
70.87798	0.5
79.05497	2.2
81.07059	4.5
91.05483	12.2
92.05814	0.9
93.07031	3.2
95.08609	0.8
97.02911	1.0
103.05478	1.2
105.07034	75.9
106.07360	1.4
107.08582	1.7
115.05444	0.7
117.07018	2.0
119.08584	100.0
120.08866	2.7
121.10142	0.9
131.08554	2.4
132.09303	0.7
133.06491	1.0
133.10138	24.3
134.10587	0.7
142.17590	0.5
145.10115	1.1
146.03650	1.7
146.10876	1.8
159.11705	3.0
161.05992	1.6
161.09612	2.2
161.13260	97.8
162.05582	0.9
162.13579	3.5
177.75040	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.039
Annotation	5-Hydroxycoumarin
Peak:m/z	Relative Intensity
53.03948	1.5
59.62934	0.5
63.02374	1.7
63.98734	0.5
65.03920	0.7
70.90823	1.3
79.05491	10.5
81.07066	0.8
89.03914	54.7
90.04253	1.2
91.05494	1.8
93.07078	0.9
95.04957	3.9
103.05460	9.8
105.04501	0.9
105.06996	1.4
107.04949	15.5
107.08590	1.1
117.03377	47.7
118.03735	1.0
121.10158	0.7
131.04916	11.8
135.04410	100.0
135.08061	2.3
136.04762	2.0
145.02840	44.1
145.03835	1.5
146.03163	1.2
163.03899	98.4
163.07538	6.1
163.11151	1.6
163.14815	1.7
164.04222	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	161.0597
Annotation	2,3-Dihydroxynaphthalene
Peak:m/z	Relative Intensity
53.03946	1.6
55.01868	4.5
65.03943	0.5
66.04720	1.2
71.10989	0.9
71.11339	0.7
79.05491	17.2
89.03934	0.4
90.04717	2.5
91.05485	4.1
92.02622	0.7
95.04964	4.3
101.46779	0.4
102.04679	0.7
103.05466	22.6
105.07028	100.0
106.07365	2.7
107.04946	0.6
115.05453	26.2
116.05792	0.9
116.84002	0.4
118.04156	18.3
119.04970	0.4
119.08660	0.5
120.08109	3.0
121.06419	0.5
129.70587	0.4
131.04912	4.5
132.05695	1.5
133.06490	61.9
134.06892	1.4
143.05023	0.9
143.06047	3.8
144.08112	0.5
161.04610	0.7
161.05975	15.0
161.09592	1.7
161.13246	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1325
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
53.03945	0.6
55.05523	2.4
61.57701	0.4
64.75445	0.5
67.05487	1.1
69.07061	1.9
71.60152	0.9
74.06107	0.8
79.05488	2.9
79.83214	0.5
81.07050	2.1
83.96581	0.4
85.90515	0.5
91.05477	15.0
91.65909	0.4
93.07032	2.4
95.04970	0.5
95.08597	0.7
97.02902	0.6
103.05485	2.4
105.03389	0.8
105.07025	100.0
106.07326	3.0
107.08614	0.8
113.02364	0.6
115.05437	1.7
117.06985	2.5
118.06568	0.6
119.08575	49.9
119.95718	0.5
120.06581	0.8
120.08112	0.6
120.08832	0.7
121.10133	13.6
123.08115	0.6
128.06235	0.6
130.54086	0.6
131.08560	4.2
133.06467	2.8
133.10123	94.5
134.10477	2.5
143.03433	0.5
143.08543	0.8
146.03644	1.4
146.10883	1.7
159.11688	1.3
161.05956	4.2
161.07089	0.5
161.09625	5.1
161.13245	50.1
162.05507	1.2
162.13568	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	160.0969
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.7
54.79438	0.3
55.01863	0.5
55.05509	18.4
56.04783	0.4
56.05034	5.7
56.05824	0.4
56.96554	2.3
57.03435	1.4
59.04984	0.4
59.06120	0.3
60.04530	0.8
68.05029	1.1
69.03426	1.1
69.07066	29.9
70.06589	2.1
70.07401	0.6
71.04982	1.4
71.21272	0.4
71.21609	0.7
72.08156	0.6
73.02911	0.7
74.02444	2.0
79.05479	0.8
81.03418	0.5
81.05775	0.5
83.04972	1.1
84.04482	0.5
84.08112	0.4
85.02906	1.2
86.06075	1.2
87.04464	0.7
91.05470	0.5
94.06552	0.3
96.08127	100.0
96.82573	0.4
97.02333	0.4
97.02872	1.8
97.08434	2.3
98.97593	0.8
100.02512	0.8
100.07607	0.4
101.00840	0.9
101.02382	0.4
101.06027	0.5
101.18171	0.3
102.09152	0.4
104.07150	0.4
105.07005	0.6
105.53435	0.4
105.73175	0.4
106.02854	0.5
107.04509	0.3
107.08535	0.3
108.04242	0.4
109.02894	0.4
110.03929	0.3
111.02962	0.4
114.05550	2.2
114.09163	43.7
115.09499	1.3
116.00233	0.3
116.98611	0.9
118.06541	0.4
118.08662	1.4
119.01926	3.3
121.01614	0.4
128.02310	0.3
129.01836	0.5
129.03943	0.4
131.01880	0.3
132.03464	0.5
133.03450	1.9
133.06531	0.5
134.99588	0.5
136.46371	0.4
137.02901	0.8
138.04124	0.3
142.03506	0.6
142.08630	22.2
143.08980	0.5
144.06554	0.4
147.05029	0.7
151.04514	0.7
157.03467	0.4
158.99788	0.3
159.05057	1.2
160.06073	0.9
160.09686	51.0
161.02956	0.9
161.05861	0.4
161.09958	1.4
173.02861	0.4
177.06094	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0295
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	0.3
56.96560	0.5
58.99854	0.2
60.00647	0.2
60.95840	0.3
67.05504	0.3
71.02992	0.2
71.04362	0.3
82.29915	0.2
82.99847	0.6
83.04985	0.3
91.05502	0.2
98.97587	0.8
100.02467	0.4
100.97198	0.2
101.00874	10.1
101.97161	0.2
102.00932	0.9
102.96850	1.3
103.00589	0.3
103.02434	0.8
105.07011	0.3
107.05283	1.1
109.02879	0.2
111.04444	1.0
116.05781	3.0
116.55881	0.7
116.98601	1.0
118.03512	0.7
119.01916	100.0
119.98193	0.3
120.02001	8.5
120.03265	0.4
120.97908	1.1
121.01653	1.5
121.02397	0.3
121.03493	0.5
125.02495	0.3
125.06289	0.4
127.56551	0.6
129.04765	0.5
133.03569	0.2
134.99634	0.7
136.04546	0.2
137.02950	53.3
137.99274	0.2
138.03065	4.2
138.04256	0.4
138.05263	0.4
138.98965	1.1
139.02654	0.7
142.03479	3.8
143.01973	0.3
143.03648	4.9
144.03209	1.7
147.05023	0.4
160.04552	1.7
161.02934	4.6
161.04622	3.5
161.09569	0.3
162.03091	0.3
162.04234	1.3
165.06107	0.2
179.04008	10.1
179.05618	1.5
180.04108	0.6
180.05463	0.3
184.04491	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	160.0969
Annotation	3-Hydroxystachydrine
Peak:m/z	Relative Intensity
53.03946	0.7
54.79438	0.3
55.01863	0.5
55.05509	18.4
56.04783	0.4
56.05034	5.7
56.05824	0.4
56.96554	2.3
57.03435	1.4
59.04984	0.4
59.06120	0.3
60.04530	0.8
68.05029	1.1
69.03426	1.1
69.07066	29.9
70.06589	2.1
70.07401	0.6
71.04982	1.4
71.21272	0.4
71.21609	0.7
72.08156	0.6
73.02911	0.7
74.02444	2.0
79.05479	0.8
81.03418	0.5
81.05775	0.5
83.04972	1.1
84.04482	0.5
84.08112	0.4
85.02906	1.2
86.06075	1.2
87.04464	0.7
91.05470	0.5
94.06552	0.3
96.08127	100.0
96.82573	0.4
97.02333	0.4
97.02872	1.8
97.08434	2.3
98.97593	0.8
100.02512	0.8
100.07607	0.4
101.00840	0.9
101.02382	0.4
101.06027	0.5
101.18171	0.3
102.09152	0.4
104.07150	0.4
105.07005	0.6
105.53435	0.4
105.73175	0.4
106.02854	0.5
107.04509	0.3
107.08535	0.3
108.04242	0.4
109.02894	0.4
110.03929	0.3
111.02962	0.4
114.05550	2.2
114.09163	43.7
115.09499	1.3
116.00233	0.3
116.98611	0.9
118.06541	0.4
118.08662	1.4
119.01926	3.3
121.01614	0.4
128.02310	0.3
129.01836	0.5
129.03943	0.4
131.01880	0.3
132.03464	0.5
133.03450	1.9
133.06531	0.5
134.99588	0.5
136.46371	0.4
137.02901	0.8
138.04124	0.3
142.03506	0.6
142.08630	22.2
143.08980	0.5
144.06554	0.4
147.05029	0.7
151.04514	0.7
157.03467	0.4
158.99788	0.3
159.05057	1.2
160.06073	0.9
160.09686	51.0
161.02956	0.9
161.05861	0.4
161.09958	1.4
173.02861	0.4
177.06094	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	160.0969
Annotation	3-Hydroxystachydrine
Peak:m/z	Relative Intensity
50.30460	0.4
53.03935	0.9
55.05511	18.4
56.05032	4.6
56.96563	1.1
57.03425	0.5
57.09830	0.3
61.02913	0.4
67.05492	0.6
68.05018	0.5
69.03436	0.9
69.07066	27.9
70.06591	1.2
70.07407	0.4
71.04994	1.1
71.58173	0.5
73.02894	0.9
74.02428	1.2
75.88071	0.3
77.22258	0.4
79.05484	1.1
81.03422	0.7
83.04971	0.4
84.04522	0.4
85.02909	1.1
86.06071	0.7
87.04473	1.5
94.02686	0.5
96.08128	100.0
96.53770	0.3
97.02888	1.4
97.06509	0.5
97.08427	2.1
98.97590	0.7
100.02524	0.4
100.07615	0.7
101.06051	0.4
102.48653	0.3
104.07140	0.4
105.50616	0.4
110.03981	0.4
114.09164	47.6
115.09515	1.2
119.01915	2.1
131.01892	0.5
132.03484	0.4
133.03464	1.7
135.57840	0.4
137.02951	0.5
142.03542	0.4
142.08626	24.2
143.08937	0.9
147.05093	0.5
151.04524	0.6
152.04961	0.4
159.05058	0.9
160.09686	47.9
160.10730	2.0
161.03027	0.7
161.10042	1.3
164.82614	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	160.0455
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47596	0.3
56.05013	0.3
56.46058	0.3
56.96561	1.0
59.06119	0.8
63.38592	0.3
70.43761	1.2
71.03001	0.4
82.01401	0.3
82.99863	1.3
98.21400	0.4
98.97594	1.7
99.97939	0.7
100.02472	1.7
100.97193	1.4
100.97992	0.7
101.00871	12.5
105.53481	0.4
108.04563	0.4
116.05757	1.7
116.98650	1.9
117.98978	0.8
118.03521	4.8
118.96758	0.5
118.98232	0.8
119.01917	100.0
120.02022	2.6
121.01601	0.8
121.02347	0.6
124.02424	2.6
134.99631	1.3
136.00002	0.8
136.02802	0.7
136.04550	4.3
136.99232	0.8
137.02954	48.6
138.03047	1.0
142.03496	52.6
143.03708	2.6
160.04553	44.8
161.02997	2.2
161.04839	2.3
165.05089	2.0
178.05615	12.1
179.04001	6.8
179.05559	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	160.0969
Annotation	Methyl 4-hydroxypiperidine-2-carboxylate
Peak:m/z	Relative Intensity
53.03942	2.1
54.03469	9.1
55.01862	3.8
55.05513	24.3
56.04785	1.1
56.05036	16.3
56.96554	1.2
57.03439	1.3
58.02951	0.9
65.03941	7.5
67.04254	10.3
67.05168	1.2
67.05502	11.4
68.05014	2.5
69.05821	1.1
69.07060	2.0
69.81345	4.8
70.06593	1.1
72.04515	6.4
72.05739	0.8
72.08159	1.8
73.06550	1.5
79.05501	6.9
79.77338	0.9
80.05015	5.7
81.07054	0.9
82.02945	8.3
82.06579	41.0
83.04964	1.0
83.06898	0.9
83.07355	3.0
84.08143	92.4
85.08445	2.0
86.06069	6.0
87.04442	0.8
91.05471	3.6
95.04982	2.0
96.04500	1.4
100.03976	7.6
100.07615	100.0
101.07931	2.1
103.05467	6.2
105.07027	40.0
110.06049	4.0
111.06813	2.6
114.09153	1.1
115.05439	10.0
118.04164	5.8
118.06535	3.8
118.07327	1.1
119.04972	1.0
119.08566	4.5
120.05534	1.0
128.07079	57.7
129.07416	1.3
131.04945	2.7
133.06494	18.4
133.10109	3.1
135.12143	0.8
142.08615	2.9
143.06081	1.9
143.09438	1.3
146.03609	2.4
146.07233	0.9
160.05153	2.0
160.07489	1.9
160.09683	2.1
160.12004	2.2
161.05983	14.6
161.09590	5.0
161.13217	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	158.0125
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98640	0.7
56.96563	15.6
57.97344	0.5
70.04447	2.1
71.95273	2.3
78.73480	0.4
96.50567	0.6
98.97579	100.0
99.97897	0.7
110.92898	0.4
114.95724	0.5
116.87837	0.5
116.98613	95.0
117.98973	0.6
119.01891	0.6
128.37419	0.5
132.96425	0.6
134.02977	1.0
134.99651	61.1
140.00186	3.0
141.50275	0.8
141.96965	2.1
153.00700	9.3
153.47795	1.0
158.01227	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	158.0812
Annotation	2-Hydroxyethylclavam
Peak:m/z	Relative Intensity
55.01864	2.7
56.96568	1.0
57.03429	0.7
58.06575	0.3
60.04525	0.3
61.53616	0.3
68.05045	0.8
70.06590	4.2
70.83882	0.9
73.31823	0.3
79.05500	0.5
81.03426	0.8
81.05797	0.9
83.06055	0.3
84.04505	4.2
87.05602	0.5
87.26814	0.3
94.06563	14.7
95.07356	4.4
96.04490	15.2
96.08125	5.6
97.04802	0.4
98.06055	11.2
98.97582	4.7
102.05547	0.6
112.07606	2.3
114.05528	18.4
116.98624	4.4
122.06015	4.8
133.25996	0.3
134.99655	2.8
138.05499	1.2
140.07060	100.0
141.07445	2.2
153.00691	0.6
158.01170	0.3
158.08122	40.1
158.15459	0.4
159.08490	0.7
161.41628	0.3
179.41287	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.0633
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.3
55.01870	3.5
55.05509	20.8
56.05035	4.7
56.96561	19.9
57.03434	11.9
58.02934	0.8
58.03780	1.0
59.04984	1.0
60.04528	1.7
60.95857	0.8
61.02937	1.0
67.05501	1.8
68.02645	2.6
68.05037	2.4
68.52711	0.8
69.03421	7.8
69.07064	27.5
70.06580	5.6
70.66801	2.9
71.01347	3.0
71.04990	9.3
72.08154	2.2
73.02899	5.6
74.02425	1.1
75.04475	1.4
77.00885	0.9
78.52927	0.9
79.05483	1.3
79.51924	1.5
81.03415	17.5
81.03861	1.7
81.04530	3.6
82.01453	0.8
82.03741	1.3
82.05323	2.8
83.01322	0.9
83.04972	3.8
84.04497	1.1
84.08144	1.1
85.02900	12.1
86.03223	1.4
86.03680	4.1
86.06045	2.4
86.52710	1.5
87.04465	3.4
88.02696	1.1
88.52471	0.9
90.52955	1.5
92.01252	0.9
92.52712	0.8
93.01935	1.2
93.53487	2.7
94.02660	0.9
95.03441	1.8
95.06089	9.9
95.52134	0.8
96.01523	1.4
96.08127	100.0
97.02327	1.4
97.02895	3.9
97.06505	1.2
98.97580	25.7
99.04449	6.5
99.53471	4.5
99.97929	2.3
100.02490	7.5
100.03535	0.8
100.05243	3.1
100.07619	3.5
101.00871	2.3
101.03450	0.9
101.06036	1.0
102.02367	1.1
103.02420	1.2
104.52673	2.4
105.02043	1.6
105.02711	1.1
106.02859	1.4
108.53939	1.3
109.02862	9.2
110.03203	1.3
111.02911	2.0
111.04386	2.0
111.04739	1.1
111.05560	18.3
113.02368	2.0
113.06007	3.5
113.07161	1.2
113.53202	9.4
114.03287	1.8
114.05532	2.4
114.09160	46.7
115.02421	1.3
115.03217	1.1
115.03967	0.9
115.97858	1.0
116.00249	1.3
116.03476	0.8
116.04743	2.6
116.98623	26.4
117.52232	1.4
117.98959	1.7
118.01125	3.8
118.02824	1.1
118.03549	6.3
119.01908	11.2
119.51965	1.8
120.53973	3.1
122.53709	8.8
123.05543	18.7
123.53599	1.0
126.52734	2.7
127.00253	1.6
127.03920	3.3
128.02304	1.2
128.98590	1.7
129.03986	1.1
129.54477	6.8
130.04556	0.9
131.00168	2.2
131.01903	5.2
131.54243	1.3
132.05104	1.1
133.03459	6.2
133.53026	1.0
133.98940	0.8
134.99658	24.1
135.03223	1.7
136.00073	0.9
136.04530	1.4
137.02945	3.2
138.55042	4.6
139.05144	2.3
139.53120	0.9
139.72752	0.8
141.01732	5.1
141.02785	7.5
141.05472	1.2
141.06569	16.9
142.03535	8.3
142.08626	23.7
142.12234	1.1
143.01854	1.3
143.04939	0.9
145.03485	1.5
146.99673	1.3
149.01274	2.3
150.06000	1.3
151.04564	1.8
153.00697	4.6
153.01855	0.9
154.03520	3.0
156.05061	1.4
157.03441	2.2
157.05182	0.9
158.01222	1.6
159.03885	1.5
159.05029	3.0
159.06314	6.6
159.07565	1.7
160.04636	1.9
160.09688	50.9
161.02850	1.3
172.04610	0.9
173.02980	1.0
175.04536	1.8
177.00714	1.0
177.06161	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	156.0421
Annotation	N-Methylethanolamine phosphate
Peak:m/z	Relative Intensity
60.52287	0.6
65.03386	0.6
67.05511	0.6
69.69741	3.9
74.09711	15.8
83.04977	0.8
95.04999	3.1
96.96915	2.4
98.20800	1.3
110.07155	2.0
111.04436	1.9
111.05562	1.2
112.05266	1.7
121.33596	0.6
130.06297	17.0
144.03215	0.6
156.04211	100.0
156.75391	0.6
157.04576	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	157.0459
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.2
53.97880	0.1
54.98652	0.4
55.01875	0.3
55.05507	0.6
56.05037	0.4
56.96563	17.4
57.03433	0.3
57.04557	0.2
57.07077	0.2
57.93564	0.3
57.97368	0.3
58.01466	0.4
58.06586	0.2
58.96980	0.1
58.99871	0.2
59.04999	0.3
59.06126	0.6
60.04521	0.3
65.03938	0.2
66.03441	0.1
66.93887	0.1
67.05505	0.4
68.04987	0.1
69.03427	0.5
69.07064	0.6
70.02953	0.2
70.06701	0.5
70.95874	0.3
71.01348	0.1
71.04996	0.2
71.06110	0.2
71.95264	1.9
71.95895	0.2
72.04512	0.3
72.08145	0.2
72.93786	0.4
73.02912	0.1
73.93813	0.1
74.06074	0.2
74.93177	0.1
74.93829	2.4
74.97616	0.3
75.01073	0.1
75.94585	0.2
75.98383	0.2
76.02510	0.2
77.00909	0.5
79.01846	0.1
79.05501	0.3
81.03417	0.3
81.07051	0.3
82.01441	0.3
83.04993	1.0
83.06091	0.5
83.08605	0.2
84.01541	0.1
84.04525	0.3
84.96011	0.1
85.02899	0.2
85.07661	0.1
86.06070	0.1
87.04517	0.1
87.05590	1.1
87.50048	0.2
90.94836	0.1
91.05485	0.3
92.94875	0.7
93.03397	0.2
93.07038	0.3
95.01942	0.3
95.04974	0.9
95.08609	0.2
96.50556	0.8
97.02323	0.1
97.02887	0.4
97.04010	0.2
97.06545	0.4
97.07641	0.2
97.99162	0.7
98.00914	0.2
98.06054	0.3
98.07175	0.3
98.97580	47.4
99.05577	0.4
100.02470	2.1
100.03979	0.1
101.00872	0.3
101.02529	0.2
101.07152	0.2
102.01572	0.1
102.02288	0.2
103.02412	0.2
105.07052	0.2
105.51060	0.3
109.02856	0.2
109.07666	0.2
110.01279	0.1
110.07169	0.1
110.52654	0.1
110.95947	0.1
111.02070	0.5
111.03846	0.2
111.04496	0.9
111.05566	0.8
111.08070	0.1
111.11794	0.1
111.63792	0.1
112.07605	0.2
112.98738	0.2
113.07116	0.1
114.06644	0.1
115.02438	0.1
115.04991	0.1
115.96444	2.4
115.97734	0.1
116.00240	1.1
116.01125	0.2
116.01945	3.0
116.03616	0.1
116.98616	70.8
118.03517	5.2
118.99003	0.1
119.01912	4.7
119.03642	0.2
119.53207	0.1
120.02608	0.2
121.10146	0.1
121.52011	0.1
122.52804	0.2
123.05578	0.2
123.49289	0.3
124.04705	0.2
125.56844	0.2
126.02583	0.1
129.03960	0.1
129.07060	0.2
129.99475	0.4
130.03452	0.2
131.00107	0.1
131.05315	0.1
131.07059	0.2
131.50671	0.1
131.53355	0.3
132.02600	0.1
132.05081	0.1
132.49750	0.8
132.95789	0.1
133.01649	0.1
133.03612	0.7
133.04515	0.3
133.05327	0.2
133.52925	0.2
133.54724	0.1
133.96016	0.2
133.97472	1.9
134.01286	0.9
134.02989	24.3
134.04716	1.1
134.57504	0.1
134.99652	100.0
136.03482	0.2
136.04538	3.0
136.06166	0.2
137.00073	0.4
137.02962	2.4
137.03998	0.2
138.03065	0.2
139.03555	0.9
139.07552	0.1
139.08620	0.2
140.00174	3.0
140.08171	0.2
141.05115	0.3
141.50269	1.4
142.03551	0.6
142.07750	0.5
144.00513	0.3
145.06796	0.6
145.10051	0.1
146.06793	0.1
147.05014	0.2
148.96089	0.1
149.01198	0.2
149.06566	0.2
150.06076	0.1
150.96890	0.4
151.04488	0.2
151.97089	1.0
152.02260	0.1
152.02551	0.1
152.04025	5.3
152.05772	0.5
152.96924	0.4
153.00703	25.7
153.04076	0.4
154.07280	0.5
154.57430	0.2
156.98996	0.2
157.01353	0.2
157.03468	0.2
157.04587	6.9
157.06174	0.3
157.10001	0.3
158.01256	8.4
158.02950	0.8
158.04796	0.5
158.08134	0.2
158.09579	0.9
159.01575	0.2
159.06111	0.2
159.08044	0.1
160.04538	0.2
161.01273	0.2
161.06499	0.1
171.01794	0.2
174.98718	0.2
175.04395	0.2
175.05685	1.3
176.02309	2.0
176.04045	1.4
176.05540	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	158.0125
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44025	0.4
54.98660	0.5
55.01857	0.6
56.05016	0.6
56.43373	0.4
56.96559	24.9
57.03435	3.8
59.04995	0.7
59.06107	0.7
60.04512	0.7
68.02641	0.6
69.03432	1.3
70.06590	4.2
70.47424	1.3
70.98092	1.1
71.01350	0.4
71.04991	2.0
71.06105	0.8
71.95273	1.9
73.02908	1.1
73.75168	0.4
75.01021	0.5
75.04476	0.7
76.00014	0.5
77.80026	0.4
77.99697	0.4
81.03411	3.4
82.06597	0.4
83.01319	0.5
83.06100	1.0
84.01535	0.4
84.04488	0.5
84.96011	1.0
85.02883	2.4
86.03684	0.8
87.04455	0.6
87.05569	2.1
87.50791	0.8
88.99149	0.5
90.01546	1.4
91.00520	0.5
91.02319	0.6
91.34030	0.4
94.06571	0.6
96.01552	1.7
96.04475	0.6
96.51316	0.6
97.96785	1.8
97.99179	1.8
98.01288	0.5
98.06012	0.8
98.07160	0.6
98.97575	92.3
99.02059	0.5
99.04446	1.2
99.05571	0.7
99.97884	0.6
100.03943	0.4
100.05218	0.8
101.00723	0.7
101.52365	0.6
102.53069	0.6
105.02055	1.5
109.02863	2.3
110.01269	3.1
110.97551	0.9
112.02823	0.5
112.07595	2.2
114.05518	0.6
115.97825	2.0
116.00190	1.3
116.07038	1.1
116.52839	0.4
116.98608	100.0
117.02005	2.8
117.98918	0.7
119.01800	3.1
121.52048	1.1
124.04561	0.6
126.02565	4.7
127.01549	0.5
128.02290	1.0
128.98590	2.3
130.52550	1.4
131.00154	0.9
133.52911	0.5
133.98883	0.8
134.03049	0.4
134.99644	74.8
135.03075	1.3
135.99973	0.7
137.53386	1.0
140.00189	3.6
140.07082	2.9
144.98114	0.7
146.53827	0.8
146.99664	1.4
149.01239	1.4
153.00696	13.3
157.00357	0.5
158.01248	6.3
158.08092	1.7
158.09503	1.8
158.12883	1.4
158.15338	0.8
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	154.1226
Annotation	pseudo-Pelletierine
Peak:m/z	Relative Intensity
53.03931	0.5
54.71945	0.2
55.01859	0.4
55.05497	0.8
56.96560	0.7
57.03410	0.3
57.07047	0.3
58.30693	0.3
59.05000	0.2
60.04524	3.6
65.03930	0.5
67.05505	3.6
68.05824	0.2
69.03407	0.2
69.07064	1.6
70.06583	2.2
71.04967	0.3
71.07359	0.2
71.94083	1.0
71.95263	1.8
72.93786	13.5
74.06081	0.4
79.05492	1.6
80.05022	0.3
81.03387	0.3
81.07059	5.2
82.06575	0.4
82.07396	0.5
83.04964	0.6
84.08124	0.6
85.06528	0.4
86.06066	8.5
90.94825	3.5
91.05457	1.1
93.06467	0.5
93.07040	7.7
94.06567	0.5
94.07372	0.7
95.04983	1.7
95.08599	9.0
96.08147	0.4
96.08929	0.7
97.06519	0.3
98.06058	2.0
98.98470	0.6
105.07024	0.3
107.08583	0.6
108.08112	1.4
108.08926	0.9
108.95851	0.9
109.02875	0.7
109.06530	1.0
109.07632	0.3
109.10162	2.3
110.09659	0.7
110.10481	1.1
111.04436	0.8
111.06833	0.4
112.04730	0.3
112.07598	1.2
112.08742	0.6
112.96699	0.4
113.05958	0.3
113.96397	9.3
119.08567	0.8
121.10139	6.4
122.09651	0.7
122.10510	0.3
122.11538	0.2
123.04409	0.9
126.05506	0.3
126.06381	0.2
126.09148	3.5
127.03904	0.8
127.07481	0.3
130.97705	0.2
131.97438	10.4
136.03993	0.3
136.07591	0.4
136.11154	0.5
136.12025	0.8
137.02277	0.3
137.05998	0.5
137.09554	0.3
137.12013	1.4
141.19313	0.2
149.17697	0.2
154.04985	1.1
154.12259	100.0
154.99030	1.9
155.03391	0.9
155.07028	1.3
155.08192	0.4
155.10674	0.4
155.12619	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	154.0862
Annotation	Dopamine
Peak:m/z	Relative Intensity
53.03927	0.4
54.03461	0.4
55.01859	1.0
55.05505	2.1
56.05036	1.5
56.96560	21.3
57.03443	1.0
57.04559	0.2
57.07041	0.2
58.06592	1.2
59.04977	0.8
59.06110	0.5
60.04502	0.9
60.95836	0.3
61.02911	0.4
61.03749	0.2
63.02387	0.2
65.03932	2.6
66.04248	0.6
67.04213	0.2
67.05501	2.6
68.05023	2.1
68.96313	0.8
68.99777	0.9
69.03432	1.6
69.04541	1.6
69.07043	0.7
69.39492	0.2
69.87085	1.1
69.96166	0.8
70.02929	0.4
70.03723	0.2
70.06584	1.7
70.94246	0.8
71.01334	0.4
71.04990	1.2
71.06104	0.4
71.94096	2.5
71.94880	0.3
71.95260	4.5
72.04507	0.7
72.08157	1.7
72.93781	16.4
72.96036	0.5
73.02897	0.8
73.06536	0.4
74.06059	0.4
74.97598	0.5
76.51563	0.3
79.05480	1.5
80.04993	0.9
80.05830	0.3
81.03411	2.9
81.04530	1.1
81.07050	3.9
82.04105	0.4
82.06586	1.3
82.07394	0.4
83.00767	0.2
83.04979	2.4
83.06086	2.6
83.06878	0.2
83.97638	0.4
84.01566	0.4
84.04504	1.1
84.05630	0.4
84.06852	0.3
84.08134	0.7
84.96030	0.5
85.02908	1.3
85.03998	0.4
85.06499	0.2
85.07648	0.8
86.06056	0.9
86.97355	0.6
87.04462	0.5
88.02700	0.2
88.95290	0.3
89.02359	0.2
89.95152	0.3
90.94820	6.3
91.02263	0.2
91.05473	23.2
92.05798	1.1
93.03416	0.3
93.05784	0.3
93.07021	0.6
93.53477	0.2
94.03692	0.2
94.06568	1.2
94.07364	0.6
95.00750	0.2
95.01308	0.3
95.04975	1.9
95.06077	4.0
95.08617	1.0
96.01526	0.4
96.04481	0.7
96.05598	0.6
96.06886	0.4
96.08128	0.8
96.08860	0.3
97.02324	0.3
97.02880	1.3
97.04007	0.4
97.06498	0.7
97.07648	1.7
97.99171	0.6
98.06073	0.9
98.07192	0.4
98.21449	0.3
98.97591	1.3
98.98451	1.1
99.04442	1.2
99.05560	0.7
100.02444	0.5
100.07603	0.2
101.06009	0.5
101.98684	0.3
102.01587	0.2
102.02341	0.4
103.02386	0.2
103.52035	0.2
105.02060	0.7
106.02876	1.2
107.04396	0.2
107.04970	2.7
107.06064	0.6
107.08565	0.3
107.96129	0.3
108.04454	0.9
108.05303	0.7
108.08109	0.8
108.08913	0.7
108.95870	2.2
109.02219	0.3
109.02883	3.9
109.04008	0.5
109.05130	1.1
109.06519	4.9
109.07627	3.4
109.10164	1.6
109.52074	0.3
109.98940	0.7
110.01244	1.0
110.03541	0.2
110.06026	1.0
110.07185	0.6
110.09740	0.2
110.10478	0.9
111.02047	0.6
111.04447	6.0
111.05281	0.4
111.05576	0.5
111.08055	0.3
111.09190	2.5
112.01592	1.0
112.03950	0.5
112.04796	1.7
112.07619	0.6
112.08734	1.2
112.47997	0.2
112.96703	0.8
112.99125	0.5
113.01777	0.3
113.05948	0.6
113.07130	1.8
113.08298	0.3
113.10714	0.3
113.52382	0.2
113.53205	0.3
113.96391	10.2
113.98636	1.0
114.05415	0.2
114.06678	0.3
114.07886	0.5
115.03323	0.5
115.97828	0.3
116.00162	1.0
116.52876	0.2
116.98610	1.2
117.51849	0.3
118.02738	0.2
118.03519	0.3
118.06491	0.3
119.01865	1.6
119.03573	0.4
119.04930	15.1
119.08594	0.3
119.97320	0.6
120.02552	0.8
120.05228	0.5
121.02818	0.3
121.06465	0.4
121.52015	0.4
122.06013	1.1
122.07112	0.2
122.52837	0.6
122.53688	0.3
123.04438	2.2
124.08695	0.7
125.05979	0.9
125.07044	0.4
126.05479	0.9
126.06366	0.9
126.07717	2.2
126.09164	0.5
127.03918	4.7
127.04945	0.5
127.06130	0.5
127.07544	0.8
127.08624	1.1
127.99995	0.6
128.02312	0.7
128.04488	0.5
128.97818	2.5
128.98589	0.3
129.05472	0.4
130.52525	0.2
130.96310	0.9
130.97768	0.7
130.99098	0.3
131.00146	1.9
131.01892	1.7
131.05478	0.3
131.47998	0.2
131.53375	0.6
131.96219	0.8
131.97426	15.3
131.99652	4.6
132.04993	0.2
133.98857	0.6
134.01250	0.4
134.99625	1.5
136.03938	0.5
136.05034	0.8
136.06180	0.6
136.07568	3.2
136.08675	1.4
136.12056	0.6
136.20491	0.2
137.02451	1.9
137.05965	100.0
137.10638	1.5
137.98335	3.9
138.06305	3.5
139.53181	0.2
140.04706	0.2
140.48598	0.8
142.03490	0.7
146.99652	0.8
148.97350	4.0
149.01216	4.3
149.02249	0.2
149.03018	0.4
149.49161	1.2
149.96123	0.1
149.97198	4.0
149.98296	0.2
150.00723	10.6
153.97809	0.3
154.03638	0.5
154.04909	2.7
154.06017	1.4
154.07361	2.5
154.08611	2.6
154.09749	4.2
154.12227	0.4
154.13313	2.1
154.90718	0.4
154.94225	0.3
154.97858	0.3
154.98979	1.3
155.01332	0.3
155.03407	4.6
155.04543	0.5
155.05688	0.4
155.07013	3.1
155.08159	0.9
155.09258	0.7
155.10593	0.3
155.11771	0.4
155.12843	0.5
158.99594	0.6
161.01205	0.5
162.99147	0.3
164.05153	0.3
166.98439	0.2
167.02211	1.0
167.98265	0.8
168.01790	1.7
171.98860	0.5
172.02846	0.4
172.95232	1.0
172.98750	0.5
173.02393	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1273
Annotation	Lyratol
Peak:m/z	Relative Intensity
52.01395	1.2
52.97960	1.5
55.01859	1.6
55.05518	9.3
57.03432	2.9
57.07065	2.5
59.04999	10.9
65.03918	2.9
66.88562	1.6
67.05503	29.1
69.03416	6.3
69.06724	2.5
69.07068	32.7
69.19547	1.7
69.27481	16.4
71.04993	13.0
73.06537	2.2
79.05495	10.6
81.07056	27.1
83.04981	6.5
83.08630	10.0
90.30766	1.2
91.05482	5.4
93.03365	1.6
93.07042	67.7
95.04932	3.7
95.08608	49.6
95.09224	2.4
96.08926	1.7
97.06529	62.5
105.07018	4.3
107.08596	94.9
108.08883	1.8
108.68283	1.3
109.06523	1.5
109.10155	98.4
110.10499	3.0
111.04427	4.1
111.08086	5.6
111.11736	2.9
119.08586	2.9
119.86789	1.2
125.05994	3.5
135.11685	61.9
136.12036	1.9
148.94794	1.3
153.05524	1.8
153.12740	100.0
154.13060	2.3
162.80011	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1272
Annotation	Junionone
Peak:m/z	Relative Intensity
55.05511	3.0
57.03420	2.0
57.07067	1.7
59.04999	65.6
65.03936	5.0
65.39108	0.6
67.05500	11.0
69.03415	1.4
69.07065	8.6
69.07423	1.1
69.33559	6.7
70.94243	1.2
71.04992	5.2
71.94094	0.9
73.06545	1.3
75.04469	0.8
79.05505	3.9
81.07052	14.7
83.04971	2.3
83.08611	2.1
85.06530	3.7
91.05476	3.6
93.03395	2.9
93.07041	20.3
95.04953	2.0
95.08604	48.5
96.08931	1.0
97.06529	9.8
105.07000	0.7
106.41756	0.7
107.04958	1.3
107.08588	24.6
108.08939	1.1
109.06521	0.6
109.10155	38.2
110.03661	0.8
110.07146	0.6
110.10488	0.9
111.04437	10.5
111.08124	2.8
111.11710	1.6
112.08699	1.2
119.08611	0.7
121.06501	0.6
121.49337	0.6
123.04449	1.0
125.05972	4.8
125.09641	0.7
128.10071	0.6
135.04424	1.8
135.08057	0.8
135.11688	23.6
136.11969	0.8
153.05528	3.8
153.09111	2.5
153.12737	100.0
154.13042	3.6
173.09146	0.6
173.32874	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1274
Annotation	alpha-Campholenal
Peak:m/z	Relative Intensity
55.05509	1.9
57.03446	0.7
57.07076	14.4
58.07417	0.6
58.74515	0.6
59.04997	3.3
63.48795	0.5
65.03947	3.6
67.05506	100.0
68.05840	1.4
69.07068	8.0
69.32887	3.1
69.33317	3.8
70.94268	0.8
71.04987	2.3
71.95264	1.6
73.06571	1.0
74.38378	0.6
74.80226	0.6
79.05487	1.8
81.07059	7.4
82.07404	0.7
83.04974	0.9
83.08596	1.1
84.69858	0.6
85.06554	0.8
87.08117	6.1
91.05470	1.6
93.03383	0.7
93.07045	8.4
95.08620	9.3
97.06554	4.6
107.08600	14.7
109.06543	1.0
109.10159	44.1
110.10531	0.7
111.04440	2.8
111.08088	1.1
111.11710	5.9
125.05975	1.3
135.11691	13.2
136.12065	0.9
153.05479	1.3
153.12744	61.7
154.13066	2.1
170.48128	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1274
Annotation	4-Acetyl-1,4-dimethyl-1-cyclohexene
Peak:m/z	Relative Intensity
55.05502	0.9
57.07073	15.3
57.07342	1.3
59.05002	2.0
62.62008	0.5
63.87303	0.5
64.23038	0.6
65.03944	2.3
66.04005	0.6
67.05503	100.0
68.05812	1.0
69.07068	6.2
70.91528	1.3
70.91881	1.1
71.05000	1.5
79.05480	0.9
81.07065	3.4
85.06586	1.0
87.08097	5.5
93.07048	3.4
94.59142	0.6
95.08598	4.1
97.06533	0.6
107.08611	5.0
109.10155	30.1
111.11694	6.4
125.06065	0.7
135.11690	6.2
152.55937	0.7
153.12743	57.3
154.13075	1.9
166.79620	0.7
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	Campholenic aldehyde
Peak:m/z	Relative Intensity
53.03936	0.4
54.70699	0.3
55.05508	2.0
55.58390	0.2
57.03419	0.4
57.07074	3.0
59.04996	1.9
65.03934	0.2
67.05500	11.7
69.03414	0.7
69.07065	9.5
71.04995	0.7
71.38979	0.5
71.39331	0.3
79.05490	2.5
81.07057	5.8
83.04974	1.0
83.08606	1.6
85.06509	0.2
90.98212	0.2
91.05472	1.5
93.07043	7.3
95.04961	0.4
95.07974	0.3
95.08601	9.0
97.06529	4.6
105.07008	0.7
107.08591	11.8
108.08909	0.6
109.10149	100.0
110.10484	3.2
111.04447	0.3
111.08068	0.7
111.11700	1.4
119.08564	0.5
121.43493	0.2
125.13264	0.4
135.11688	8.7
136.11957	0.4
153.12732	8.5
154.13055	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1273
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.00285	2.1
53.03929	2.4
55.05516	8.9
55.11642	1.4
57.02606	1.3
57.07051	1.8
57.71208	1.4
58.72077	1.5
59.05008	10.6
67.05497	2.3
69.07062	7.8
70.91717	3.0
71.04988	56.2
73.06180	1.7
73.06556	28.3
79.05480	20.3
81.07053	100.0
82.07389	2.0
83.08607	1.8
85.06492	1.8
91.05469	5.1
93.06467	2.8
93.07037	45.4
94.07350	2.0
95.04948	1.8
95.08600	10.0
97.06529	6.2
104.94724	1.5
105.07021	2.0
107.08589	42.7
109.10158	6.9
110.95049	1.8
111.08084	3.4
119.08566	2.4
122.43985	1.6
135.11684	41.2
153.12717	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	153.1273
Annotation	Lyratol
Peak:m/z	Relative Intensity
50.43756	0.9
53.03931	2.3
55.05270	0.9
55.05511	11.6
57.07063	2.1
59.05003	8.6
61.59903	0.9
65.03903	1.6
67.05489	4.4
69.07069	9.0
69.94344	1.4
69.94753	4.0
71.04991	42.9
73.06555	25.0
79.05067	1.4
79.05494	23.4
81.07053	100.0
82.07364	1.9
83.08620	1.8
91.05474	7.2
93.07039	44.1
94.07340	1.3
95.04958	1.7
95.08596	8.0
97.06504	6.0
103.93835	1.0
105.07017	2.3
107.04976	1.4
107.07861	1.9
107.08591	33.2
109.10155	9.2
111.04465	1.5
111.08064	3.2
119.08561	2.5
135.11684	29.6
136.11964	1.3
153.11458	1.5
153.12701	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	153.1273
Annotation	Lyratol
Peak:m/z	Relative Intensity
51.73626	0.9
53.00299	2.7
53.03939	2.3
54.29473	1.0
55.05505	9.8
57.07072	2.5
59.05000	12.0
65.03931	1.5
67.05504	5.6
69.03430	1.3
69.07059	9.5
71.04991	46.9
71.60760	2.1
72.05342	1.0
73.06165	1.6
73.06554	23.2
73.06965	1.2
79.05490	19.9
81.07055	100.0
82.07378	1.1
83.04978	2.5
83.08613	2.7
84.06062	0.9
91.05458	4.8
93.07043	42.9
95.04966	3.1
95.08599	11.1
97.06528	8.5
99.61240	1.0
104.14156	1.0
105.07050	1.8
107.05013	1.0
107.08592	36.3
107.09296	2.1
108.08994	1.0
109.06504	1.2
109.10147	8.7
111.04440	4.4
111.08067	4.6
117.24817	0.9
119.08595	2.1
131.54271	1.1
135.11688	32.6
136.12010	1.1
146.96558	0.9
153.05421	1.6
153.09021	1.1
153.12746	20.9
165.02898	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1273
Annotation	Lyratol
Peak:m/z	Relative Intensity
50.26039	1.0
53.00315	1.3
53.03946	1.5
54.15656	1.0
55.05513	13.2
57.07059	3.1
57.72415	1.1
59.04995	12.3
65.03944	9.2
67.05505	12.9
69.07064	9.7
69.22566	1.0
71.00368	3.5
71.04990	44.3
73.06554	22.4
79.05060	2.0
79.05491	24.9
81.07056	100.0
82.07362	1.8
83.04971	1.7
83.08612	1.5
91.05480	7.5
93.03396	5.7
93.07040	49.6
95.04950	3.3
95.08608	11.5
97.06537	8.1
105.07046	3.3
107.04926	2.2
107.08588	42.3
108.08890	1.1
109.02956	1.1
109.06492	1.7
109.10152	16.8
111.04447	18.0
111.08062	5.6
111.09109	1.1
111.11701	1.1
112.43807	1.0
119.08556	1.6
125.05998	9.3
125.09650	1.0
135.10684	1.8
135.11690	33.7
136.12047	1.1
143.79759	1.0
153.01904	1.1
153.05473	5.3
153.09097	3.5
153.11487	2.2
153.12732	24.4
156.17583	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1274
Annotation	Junionone
Peak:m/z	Relative Intensity
53.00292	0.7
53.03945	1.1
55.01866	1.1
55.05507	4.8
57.03437	2.2
57.07061	1.1
59.05004	5.4
65.03943	1.2
67.05507	22.3
69.03441	1.1
69.07072	13.1
70.04334	3.7
71.04996	8.4
71.42315	0.6
73.06575	0.8
77.03905	1.0
78.48693	0.7
79.05498	4.4
81.07064	16.8
82.07413	0.9
83.04980	3.0
83.08609	4.0
91.05483	5.6
93.07048	29.9
94.07340	1.3
95.08612	30.0
96.08965	0.8
97.06542	12.4
97.56690	0.6
98.23169	0.7
101.52996	0.6
105.07030	2.3
107.03728	0.6
107.08601	54.9
108.08950	1.9
109.06497	1.2
109.10160	100.0
110.10522	2.4
111.04443	1.1
111.08083	2.2
111.11701	1.6
113.00210	0.6
119.08607	1.5
135.11699	45.4
136.12009	1.3
153.12752	67.1
154.13069	2.1
167.22733	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1273
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.00291	2.3
53.03928	1.7
55.05301	1.1
55.05508	12.4
57.07067	3.4
59.04998	8.7
60.49009	1.1
65.03921	1.7
67.05501	10.2
69.07070	10.4
71.04990	37.9
73.06551	22.3
79.05492	19.6
81.07053	100.0
82.07372	2.0
83.04967	2.0
83.08600	2.3
91.05492	7.3
93.07040	46.8
95.04963	2.7
95.08595	11.0
97.06522	10.5
99.18875	1.2
105.07033	2.3
107.04920	1.4
107.08593	44.4
109.06475	1.7
109.10155	23.4
109.10904	1.5
109.51936	1.1
111.04444	1.8
111.08081	4.8
119.08582	2.9
131.27802	1.2
135.10675	2.5
135.11688	38.3
153.12729	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	153.1274
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.00305	2.6
53.03937	3.8
55.05506	13.0
57.03442	1.4
57.07052	1.7
57.11632	1.1
59.04998	8.4
60.92777	1.2
67.05487	5.6
69.07062	8.5
70.09303	5.0
71.04991	43.2
73.06551	20.3
79.05489	18.2
81.07054	100.0
82.07388	1.5
83.04966	1.6
83.08627	2.6
91.05482	6.1
93.07040	40.3
95.04941	2.7
95.08614	9.4
96.62196	1.7
97.06527	7.2
98.74454	1.2
103.44682	1.2
105.07040	3.1
107.08588	38.0
109.10172	8.9
111.08073	3.8
135.11681	32.8
139.61168	1.4
141.55147	1.4
153.12743	19.9
161.35257	1.2
168.23982	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1274
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.00304	2.1
53.03935	2.4
55.01874	1.2
55.05513	14.1
57.07072	2.6
59.05000	6.2
61.35637	0.9
65.03923	1.5
67.05500	6.4
69.03414	1.0
69.07068	10.3
69.93216	4.4
71.04993	45.8
73.06557	22.2
79.05074	0.6
79.05488	21.9
81.07057	100.0
82.07395	2.4
83.04967	1.5
83.08631	1.4
91.05466	7.1
91.21746	1.1
93.07044	44.1
94.07390	1.0
95.04965	2.6
95.08608	9.9
97.06536	8.1
105.07047	2.3
107.08593	37.2
109.06544	1.2
109.10149	15.6
109.33926	1.0
111.08089	3.0
119.08549	1.6
135.11699	32.6
145.14632	1.0
153.12738	20.9
165.92949	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1273
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.00297	1.1
53.03934	2.3
55.05511	12.9
57.03439	1.4
57.07060	2.3
59.04996	8.3
65.03930	2.8
67.05505	5.8
69.03406	1.1
69.07069	10.6
70.13133	4.0
71.04989	48.0
72.05343	1.2
73.06165	2.0
73.06551	24.1
79.05057	1.7
79.05489	24.9
81.07053	100.0
82.07378	2.7
83.04951	1.4
83.08597	2.1
85.06559	1.6
91.05483	7.5
93.03417	1.1
93.07039	45.0
93.07630	2.2
93.53542	0.9
94.22990	1.0
95.04975	3.6
95.08611	9.8
95.26606	0.9
97.06532	9.3
98.20743	1.0
104.95023	0.9
105.07024	1.9
107.04957	1.6
107.08591	41.0
108.08913	1.0
109.06505	1.4
109.10139	13.9
111.04439	2.8
111.08099	5.4
115.86635	1.0
119.08562	1.3
125.05962	1.4
135.11687	35.3
136.12021	1.5
153.05428	2.2
153.11482	1.8
153.12740	19.7
154.13136	1.2
169.73024	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0707
Annotation	2-Descarboxy-cyclo-dopa
Peak:m/z	Relative Intensity
53.03950	0.2
53.63924	0.2
55.01863	0.7
55.02997	0.5
55.05482	0.3
56.05041	0.3
56.96566	6.6
57.03429	1.0
58.96140	0.2
60.04545	0.2
60.95844	0.3
61.02921	0.6
65.03933	1.6
67.05499	0.8
68.05029	0.3
69.03424	0.6
69.07063	0.3
69.96530	0.8
69.96948	0.5
70.06585	0.5
70.94254	0.3
73.02908	1.0
74.03256	0.3
74.97630	0.3
79.05499	1.1
80.05016	0.4
81.03424	0.5
81.07040	0.5
82.04090	0.3
82.06578	0.6
83.00760	0.3
83.04975	0.3
84.96036	0.2
85.02910	0.6
91.00473	0.3
91.05463	0.5
92.05009	1.6
92.05797	1.4
93.03403	0.6
93.05789	0.9
93.07021	0.3
94.06562	0.6
95.04964	1.0
95.06055	0.3
95.07340	0.2
96.01566	0.3
96.04485	0.3
96.08139	0.6
96.51697	0.3
97.02869	0.6
97.07639	0.4
97.99168	0.4
98.01288	0.6
98.97588	2.0
99.04459	0.3
99.97921	0.4
105.02039	0.3
106.06549	1.0
106.07231	0.3
107.01841	0.4
107.04957	3.1
107.07327	0.3
108.02538	0.3
108.08096	0.5
109.02837	0.3
109.05138	1.2
109.07658	0.8
109.10109	0.3
110.01286	0.9
110.03518	6.5
110.06042	7.4
110.51464	0.8
110.97566	1.5
111.04449	1.9
111.09192	0.6
112.10043	0.3
113.05902	0.3
115.01479	0.2
115.02384	0.3
116.00301	0.3
116.02276	0.2
116.98631	2.0
118.01025	0.3
119.01836	1.0
119.51959	1.4
120.05282	0.6
121.06516	0.5
122.06029	1.3
123.04424	1.7
123.06800	0.8
124.03952	0.3
124.05223	0.3
124.07590	0.8
125.04724	0.9
125.06014	1.2
127.03915	0.2
127.06246	0.3
128.02306	0.9
128.04556	3.8
128.52492	1.8
128.98615	2.9
129.04005	0.2
130.01939	0.3
131.00111	0.3
133.03525	0.3
134.04646	0.8
134.06029	2.3
134.99655	0.9
135.03032	7.4
135.04379	1.3
135.06725	0.4
135.09196	0.5
136.01437	0.3
137.02869	0.3
137.34190	0.3
137.53001	0.4
138.05524	0.7
140.00128	0.3
140.03226	0.3
146.99646	3.2
152.05696	63.6
152.07066	100.0
152.11832	0.9
153.04083	20.0
153.05464	1.4
153.06084	0.7
153.07431	3.0
153.08653	0.4
153.10147	0.3
154.02414	0.4
158.01299	0.4
161.01190	0.3
162.99084	0.3
164.57018	0.2
165.00725	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1273
Annotation	(+)-trans-p-Mentha-2,8-dien-1-ol
Peak:m/z	Relative Intensity
51.02420	0.7
51.19845	0.7
55.05499	2.2
57.03431	1.6
57.07074	1.0
58.40414	0.8
59.05000	12.6
67.05505	8.7
69.03429	20.9
69.07066	33.7
70.62347	2.8
71.04983	3.1
75.48922	0.7
79.05497	6.1
81.07054	6.2
83.04977	2.7
83.08620	3.1
85.06541	1.7
91.05480	3.4
93.07043	21.0
95.08604	30.9
96.08936	1.2
97.06527	100.0
98.06858	2.3
105.07054	1.5
106.06534	0.7
107.08586	28.9
108.08898	1.4
109.10155	37.1
110.10510	1.3
111.08087	5.4
111.11750	1.8
119.08566	1.1
120.55021	0.8
135.11688	33.6
136.12033	1.6
153.12740	68.0
154.13068	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	153.1273
Annotation	Junionone
Peak:m/z	Relative Intensity
50.49878	0.4
53.03938	0.7
55.05518	2.7
57.03433	1.2
57.07077	3.5
57.50894	0.4
59.05002	3.0
65.03934	0.5
67.05502	13.7
68.64980	0.4
69.03433	3.3
69.07066	14.6
70.88395	1.3
71.04993	1.6
73.06545	0.5
73.65241	0.4
79.05493	3.3
81.07059	8.1
83.04964	1.6
83.08619	3.2
85.06570	0.4
91.05466	3.8
93.07043	14.3
95.08606	24.4
96.08975	0.8
97.06528	14.6
105.07012	1.6
107.08589	22.7
108.08933	0.6
109.06507	0.9
109.10153	100.0
110.10471	2.4
110.94400	0.5
111.08074	1.5
111.11716	1.5
119.08582	2.4
120.09300	0.5
125.13251	1.0
135.10672	1.0
135.11691	19.0
136.12065	0.7
137.09581	0.6
153.12741	17.6
154.13139	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1273
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.03944	3.0
55.05516	12.8
57.07075	5.7
59.04998	8.9
64.33823	2.4
67.05500	23.2
67.60126	2.4
69.03431	5.3
69.07072	21.9
69.07422	3.9
71.05012	40.9
73.06556	24.5
79.05495	28.4
81.07055	100.0
83.04952	5.3
91.05476	12.4
93.07039	67.0
95.08620	31.6
97.06533	25.9
105.07017	4.4
107.04978	4.3
107.07865	4.1
107.08594	74.0
108.08923	4.8
109.06548	3.7
109.10152	76.9
111.04437	8.2
111.08077	7.9
119.08604	3.6
125.05990	2.7
129.99365	2.6
135.11682	59.3
153.05501	2.6
153.12746	43.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0567
Annotation	guanine
Peak:m/z	Relative Intensity
51.72890	0.3
53.03916	0.2
55.01863	0.4
55.02993	0.5
55.05513	0.4
56.05024	0.3
56.96563	7.0
57.03436	1.4
58.74038	0.2
60.78519	0.2
60.95844	0.3
61.02913	0.9
64.19876	0.3
64.93829	0.2
65.03606	0.2
65.03924	1.1
65.38113	0.3
67.05481	0.9
68.05016	0.4
69.03425	0.6
69.07106	0.2
70.06580	0.3
70.94244	0.2
70.98093	0.2
71.04985	0.5
71.11344	0.5
73.02903	1.2
73.74998	0.2
74.97598	0.3
78.03397	0.2
79.05489	2.0
80.05016	0.6
81.03433	0.5
81.07047	0.4
82.04061	0.5
82.06550	0.4
83.00751	0.2
83.06085	0.3
84.96019	0.2
85.02910	1.2
86.03272	0.4
89.00766	0.4
90.01533	0.3
91.05477	0.6
92.05005	1.6
92.05809	1.3
93.03393	0.6
93.05772	1.1
93.07057	0.3
94.06559	0.5
95.04959	0.9
96.01548	0.5
96.02539	0.2
96.04501	0.3
96.08112	0.5
96.51649	0.3
97.02882	0.8
97.06479	0.3
97.07629	0.7
97.99185	0.4
98.01282	0.5
98.51443	0.3
98.97576	2.9
99.02017	0.4
99.97932	0.2
101.00774	0.5
104.01241	0.5
106.06560	1.9
107.03558	0.4
107.04942	3.3
107.07317	0.6
108.08129	0.4
109.02863	0.8
109.05131	1.7
109.07639	0.7
109.10147	0.4
110.01275	0.7
110.03522	8.9
110.05269	0.5
110.06030	7.9
110.51456	0.6
110.97559	1.5
111.00228	0.3
111.04439	1.4
111.06338	0.3
111.09195	0.3
115.02412	0.5
116.95844	0.2
116.98611	2.4
117.02096	0.3
117.03011	0.3
117.03899	0.4
118.01008	0.5
118.03558	0.3
119.01853	1.6
119.51958	1.0
120.05251	0.7
121.01564	0.2
122.06009	1.8
123.04414	2.3
123.06844	0.4
124.03927	0.2
124.05249	0.7
124.07565	1.2
125.04701	0.9
125.05960	0.7
127.01563	0.2
127.03969	0.2
127.06129	0.6
128.02306	1.1
128.04556	5.6
128.52460	1.1
128.98624	3.1
129.03989	0.4
129.98979	0.3
133.03491	0.5
134.04614	0.9
134.06021	2.5
134.99655	1.0
135.03011	9.9
135.04385	0.8
135.06599	0.5
135.09128	0.5
136.05154	0.3
137.02878	0.8
137.53043	0.5
137.98343	0.3
138.05504	0.6
138.76970	0.2
139.02502	0.3
140.04988	0.3
146.99643	3.9
147.05022	0.7
149.01215	0.3
149.03714	0.3
150.01826	0.2
152.05678	100.0
152.07050	94.1
152.11833	0.8
153.04071	29.8
153.05396	1.3
153.06004	1.7
153.07410	2.7
153.12729	0.3
154.02463	0.7
154.04366	0.6
165.00656	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0706
Annotation	Paracetamol
Peak:m/z	Relative Intensity
50.46783	0.2
52.99086	0.2
53.03959	0.2
53.93119	0.2
55.01871	0.3
56.05042	0.2
56.96291	0.3
56.96564	4.7
57.03425	0.8
59.04996	0.2
60.95835	0.3
61.02917	0.4
65.03929	0.6
66.09859	0.2
67.05488	0.6
68.22364	0.2
69.03427	0.6
69.32945	1.9
70.98106	0.3
71.04977	0.5
72.51444	0.2
73.02922	1.0
74.03228	0.2
74.97599	0.3
77.00801	0.2
79.05479	0.4
81.03419	0.3
82.01473	0.3
83.04973	0.3
84.01590	0.2
84.96049	0.3
85.02885	0.6
88.99155	0.2
89.50937	0.4
90.01563	0.3
91.02328	0.2
91.05452	0.3
92.01297	0.4
92.05000	2.1
92.05835	0.3
93.05753	1.2
94.06586	0.3
95.04955	0.2
96.01549	0.2
97.02870	0.5
97.99166	0.3
98.01295	0.6
98.51421	0.2
98.97582	1.6
99.02046	0.5
99.04445	0.3
100.02463	0.3
102.96861	0.3
105.02061	0.2
106.02828	0.5
106.06573	0.3
107.01796	0.3
107.04942	0.7
108.02504	0.2
109.02845	0.2
109.05124	0.8
110.01266	0.6
110.03526	3.4
110.05279	0.4
110.06042	7.5
110.51451	0.8
110.97569	0.6
111.02998	0.2
111.04447	0.2
111.06342	0.2
115.02489	0.2
115.03332	0.4
116.98640	1.0
117.02995	0.3
117.03920	0.2
118.03510	0.3
119.01853	1.1
119.03585	0.2
119.51963	1.1
121.01469	0.2
121.03455	0.3
121.06501	0.4
122.02242	0.3
122.06054	1.4
123.04419	1.1
123.06801	0.4
124.07574	0.4
125.04707	0.7
125.06082	0.2
127.03900	0.3
128.02318	1.2
128.04562	1.8
128.52489	1.4
128.98611	1.7
129.02011	0.2
129.03949	1.2
129.98962	0.2
130.01923	0.2
131.00125	0.3
131.02795	0.3
133.03477	0.3
134.03668	0.3
134.04559	0.3
134.06020	1.0
134.99655	0.4
135.03021	2.8
135.05081	0.3
137.02863	0.4
137.52989	0.5
138.05489	0.7
139.53157	0.4
140.04956	0.4
146.99661	1.5
147.01418	0.3
147.03218	0.2
147.05008	1.6
148.00072	0.2
149.01152	0.2
149.53687	0.2
152.05687	34.5
152.07050	100.0
153.04077	9.3
153.05290	0.4
153.07399	2.8
154.02391	0.3
159.01695	0.2
161.03027	0.2
165.00641	0.3
170.01199	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1116
Annotation	(+)-Sabinone
Peak:m/z	Relative Intensity
53.03945	2.8
55.05505	9.1
56.96561	1.5
57.03413	1.6
57.07068	8.8
59.04996	12.5
61.39633	1.2
65.03951	2.4
67.05497	27.8
69.03426	8.5
69.07063	8.8
69.41562	1.2
70.86227	2.4
79.05490	14.7
81.03431	1.3
81.07051	85.2
82.07370	2.1
91.05475	29.0
93.07040	27.6
95.04961	15.7
95.08601	17.4
103.05484	2.4
105.07024	100.0
106.07327	2.7
107.04937	1.4
107.08583	32.7
108.05732	3.2
109.06512	31.4
109.10147	76.4
110.01310	1.2
110.06837	1.3
110.10484	2.7
113.40550	1.4
117.07009	2.8
118.07761	2.7
119.01785	3.2
121.06525	2.0
121.10144	8.5
122.07207	1.9
123.08064	22.7
123.11697	62.0
124.12030	3.1
128.02361	1.9
131.08578	8.1
133.10124	57.4
134.10432	1.6
136.08806	2.1
151.03877	1.5
151.11165	66.0
152.11501	2.9
168.79959	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1117
Annotation	(+)-Sabinone
Peak:m/z	Relative Intensity
53.03938	2.0
55.05503	8.1
56.96554	2.1
57.03421	1.7
57.07072	7.3
59.04988	6.6
65.03937	5.8
67.05505	82.4
68.05850	1.8
69.03429	2.7
69.07075	8.2
69.72096	9.7
71.04983	2.4
75.61305	1.4
79.05492	15.1
81.03436	1.5
81.07058	100.0
82.07391	2.9
83.04985	1.9
91.05482	22.5
93.07047	30.0
95.04971	58.3
95.08606	13.0
97.06531	1.5
98.20787	1.8
105.07030	52.9
106.07330	2.4
107.04974	1.9
107.08594	98.9
108.08953	4.0
109.06519	67.8
109.09449	3.0
109.10152	38.0
110.10493	1.5
111.07944	3.3
117.02815	1.3
121.10105	3.3
123.04473	2.1
123.08071	9.1
123.11703	84.3
128.02301	1.4
131.08577	2.9
133.10126	55.3
134.10381	1.5
136.23816	1.5
151.03905	6.1
151.07596	2.5
151.10141	3.1
151.11195	59.1
152.01663	1.6
152.11533	3.0
157.77066	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1117
Annotation	1-acetyl-4-isopropenylcyclopentene
Peak:m/z	Relative Intensity
53.03954	1.2
55.01881	0.7
55.05516	2.6
57.07072	1.3
59.05007	2.0
65.03934	0.7
67.05503	29.7
68.05042	2.0
68.05833	0.8
69.03436	1.8
69.04552	2.6
69.07053	3.0
70.92752	0.8
70.93085	1.4
71.86484	0.6
79.05489	4.5
81.04547	0.6
81.06578	1.3
81.07055	25.9
83.06109	1.4
85.07688	0.8
85.39870	0.7
87.79243	0.6
91.05478	6.6
93.07046	10.2
93.07672	0.8
95.04970	13.8
95.06109	0.6
95.08606	3.4
97.07652	0.7
105.04525	0.6
105.07018	5.2
107.06094	0.9
107.08582	13.0
109.06516	36.9
109.07688	1.4
109.10152	100.0
110.07170	9.6
110.10487	3.6
110.34240	0.6
111.07943	14.4
121.06401	0.9
122.07157	1.8
123.08069	4.8
123.11720	11.9
124.08698	1.8
127.07556	1.6
133.10135	7.1
134.07130	1.8
151.09776	9.4
151.11156	52.3
152.07033	0.8
152.08157	2.2
152.11557	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1481
Annotation	(E)-4,8-Dimethyl-1,3,7-nonatriene
Peak:m/z	Relative Intensity
53.03945	1.4
55.05501	5.9
56.96556	2.2
57.07077	17.9
59.04990	1.8
65.03952	1.9
67.05505	39.1
68.05840	0.9
69.03421	2.2
69.07066	12.0
70.09001	3.6
71.08626	6.1
73.15475	0.8
79.05480	6.5
81.03424	1.6
81.07056	52.8
82.07394	2.2
83.08617	2.8
85.02898	0.9
88.19167	0.8
91.05480	8.2
93.07043	12.8
95.04967	7.1
95.08605	100.0
96.08936	2.8
98.97570	0.8
105.07025	12.0
107.04974	1.2
107.08590	16.1
108.05754	1.3
109.02893	1.2
109.06526	14.8
109.10154	91.0
110.01257	1.8
110.07159	1.7
110.10485	3.2
111.07961	2.6
119.01772	1.3
121.10136	1.7
123.04423	3.9
123.08058	9.4
123.11712	15.2
131.08521	0.8
133.06476	1.7
133.10098	6.5
136.08826	6.9
137.02834	1.0
151.02861	1.4
151.03935	6.5
151.04997	1.1
151.07671	4.7
151.11180	88.6
151.14812	28.3
151.45689	0.8
152.01570	1.0
152.06990	1.4
152.11520	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	151.1117
Annotation	(+)-Sabinone
Peak:m/z	Relative Intensity
53.03931	1.2
55.05521	6.0
57.07069	7.6
57.08403	0.8
59.04999	11.4
65.03926	4.3
67.05502	62.8
68.05825	1.2
69.03419	2.9
69.07058	4.9
70.95885	0.9
71.04969	1.2
71.32488	1.8
74.27526	0.9
76.49052	0.9
79.05495	10.1
81.07053	100.0
82.07383	2.5
82.39814	1.0
91.05473	15.9
93.07033	18.8
95.04966	45.6
95.08603	15.8
95.31891	0.9
96.05286	1.2
97.06515	1.4
105.07028	57.4
106.07346	2.5
107.08592	42.4
109.06514	31.2
109.10146	27.2
110.10519	0.9
115.05470	0.9
117.07078	1.0
118.07833	1.5
119.42844	0.8
121.10097	2.8
123.08099	5.6
123.11703	92.8
124.12016	3.6
129.32712	0.9
131.08537	5.0
133.10129	53.5
134.10475	3.0
136.27547	0.9
151.11168	47.4
152.11441	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1117
Annotation	3-tert-Butylphenol
Peak:m/z	Relative Intensity
53.03959	0.4
55.05509	2.1
57.07081	0.4
59.04995	0.4
59.09719	0.3
65.03938	1.1
65.13594	0.4
67.05502	9.3
69.07076	1.5
69.75079	2.6
71.04995	1.1
79.05494	7.2
81.03416	7.0
81.06579	0.9
81.07054	17.3
82.07395	0.4
83.15732	0.4
83.45793	0.4
85.06535	0.7
91.05475	13.1
93.07041	7.8
95.04967	2.0
95.08605	2.6
105.07029	12.8
106.07388	0.6
107.08590	100.0
108.08913	2.6
109.06519	6.0
109.10150	20.8
119.06077	1.0
121.10170	1.0
123.08090	0.9
123.11698	6.0
131.08559	0.8
132.66559	0.4
133.10127	13.7
134.10530	0.5
150.88284	0.3
151.11180	33.8
152.11545	0.7
157.68813	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1117
Annotation	3-tert-Butylphenol
Peak:m/z	Relative Intensity
53.03941	0.6
55.01871	0.6
55.05506	1.8
56.96587	0.4
57.03432	0.8
57.07080	1.2
59.05005	0.4
60.76722	0.3
61.75268	0.3
65.03930	0.8
66.09801	0.3
67.05505	10.1
69.03410	0.4
69.07066	1.7
69.27982	3.3
71.04990	0.7
75.14408	0.3
77.34666	0.4
79.05492	7.5
81.03419	6.2
81.07059	18.8
82.07393	0.6
85.06557	1.4
91.05482	13.8
92.05821	0.4
93.07045	9.7
95.04972	4.0
95.08606	3.8
96.01554	0.4
105.07034	14.9
106.07348	0.5
107.08595	100.0
108.08918	4.2
109.06511	7.0
109.10157	24.7
110.10473	0.7
119.06043	0.8
121.10142	1.3
123.08064	1.3
123.11710	6.5
131.08583	0.8
133.10133	14.7
134.10449	0.7
135.91258	0.4
151.03925	0.4
151.11182	38.1
152.11502	1.8
158.01508	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1118
Annotation	Lyratal
Peak:m/z	Relative Intensity
52.76601	1.1
53.03931	3.4
55.01863	3.3
55.05510	8.1
56.96564	2.6
57.03419	1.4
57.07065	5.6
59.04996	7.2
65.03947	5.0
67.05501	39.5
68.05029	1.4
68.05837	1.2
69.03426	5.1
69.07066	9.6
70.94646	2.5
71.04990	2.7
77.03918	1.3
79.05482	16.3
81.03427	1.6
81.07053	100.0
82.07390	2.7
83.05009	1.6
91.05478	44.3
92.05808	2.0
93.07041	37.7
94.07348	1.8
95.04964	22.6
95.08600	15.9
97.07626	1.1
103.05467	1.5
105.07024	46.7
106.07401	1.4
107.08589	63.7
108.02097	1.9
108.05739	1.5
108.08894	2.1
109.06511	38.8
109.07627	1.6
109.10149	38.9
110.01284	1.4
110.07245	1.0
111.07947	3.3
118.07787	1.7
119.01770	1.5
119.04926	3.3
119.06085	1.3
121.06509	1.2
121.10158	4.3
123.04415	6.8
123.08067	18.5
123.11703	43.5
124.12016	1.6
128.02290	2.0
131.08543	1.9
133.10130	31.7
134.10442	3.0
135.08081	1.1
136.08742	2.5
141.05464	3.2
150.84074	1.0
151.03908	20.7
151.05037	3.6
151.07593	5.5
151.11179	54.3
152.07013	1.3
152.11549	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1117
Annotation	3-tert-Butylphenol
Peak:m/z	Relative Intensity
50.04626	0.2
50.97657	0.2
53.03942	0.6
55.05508	3.1
56.96557	0.4
57.03429	1.0
57.07076	1.1
59.05000	0.7
59.26258	0.2
62.52465	0.2
62.61165	0.2
63.52678	0.2
64.12973	0.2
65.03940	0.9
67.05503	11.9
68.05830	0.4
69.03418	0.7
69.07074	2.0
69.71369	1.2
69.71777	0.5
71.04983	1.1
79.05491	7.7
81.03416	6.5
81.07055	17.1
82.07365	0.3
83.04987	0.3
83.08655	0.2
85.06541	6.3
89.76343	0.2
91.05476	14.7
92.05810	0.5
93.07042	10.8
95.04970	4.7
95.08605	3.9
98.21462	0.4
98.97585	0.4
105.07027	14.1
106.04226	0.2
106.07348	0.4
107.08591	100.0
108.08922	3.1
109.06515	7.9
109.10152	8.8
109.10909	0.3
110.01276	0.4
110.06794	0.4
110.10530	0.3
119.01704	0.3
119.06067	1.0
121.10176	1.1
123.08067	1.8
123.11704	6.3
128.02293	0.5
129.06857	0.3
131.08582	0.5
133.10126	13.8
134.10472	0.8
138.13312	0.2
151.03918	0.3
151.11177	40.2
152.07088	0.5
152.11533	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1118
Annotation	3-tert-Butylphenol
Peak:m/z	Relative Intensity
53.03958	0.4
55.05514	1.9
56.96574	0.3
57.03424	0.7
57.07078	0.5
58.10867	0.2
59.05005	0.3
65.03938	0.6
67.05503	6.2
69.03426	0.7
69.07061	1.4
70.15202	0.7
70.15594	0.5
71.05000	0.7
79.05496	5.2
80.05810	0.4
81.03418	6.5
81.07056	12.7
82.07420	0.4
85.06551	1.2
86.19573	0.2
91.05479	12.6
92.05811	0.4
93.06466	0.5
93.07043	7.6
95.04962	3.4
95.08614	3.2
98.20769	0.3
105.07033	12.7
106.07329	0.3
107.08594	100.0
108.08917	2.6
108.53359	0.2
109.06516	6.6
109.10160	6.9
110.10449	0.3
119.06072	0.7
121.10146	0.9
123.08073	1.6
123.11716	5.4
131.08557	0.5
131.10513	0.3
133.10132	13.0
151.03911	0.3
151.11180	36.6
152.11526	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1117
Annotation	4-Isopropyl-3-methylphenol
Peak:m/z	Relative Intensity
53.03927	0.9
55.05511	5.3
56.37298	0.8
57.03420	0.9
57.07065	2.7
59.04988	1.8
61.04303	0.7
64.91030	0.7
65.03924	2.1
67.05503	22.8
69.03413	0.9
69.07063	4.7
69.83448	2.0
69.83850	2.6
71.04976	1.3
72.13126	0.7
79.05494	12.2
81.03412	3.7
81.07056	40.5
85.06548	11.0
85.07026	1.5
91.05479	20.8
92.05814	0.8
93.07046	13.9
95.04961	8.3
95.08612	6.1
105.07030	23.7
107.04961	2.4
107.08592	100.0
108.08914	3.2
109.06519	54.5
109.10152	43.2
110.06853	1.9
110.10473	1.1
119.06076	2.0
121.10154	1.7
123.04540	0.9
123.08069	4.3
123.11707	14.7
131.08559	1.0
133.10135	24.0
151.11182	66.8
152.11505	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1117
Annotation	3-tert-Butylphenol
Peak:m/z	Relative Intensity
55.05506	2.4
56.96558	0.6
57.03423	0.7
57.07063	1.2
59.04999	0.8
65.03940	1.0
67.05495	14.0
69.03419	1.2
69.07062	2.2
69.97181	2.5
70.85934	0.4
71.04980	0.8
71.73151	0.4
79.05484	8.5
81.03413	5.5
81.07050	24.5
82.07375	0.9
85.06558	0.6
91.04892	0.8
91.05468	16.7
92.05814	0.6
93.07032	10.4
94.90043	0.4
95.04969	5.3
95.08599	5.5
101.56690	0.4
105.07022	17.5
107.08584	100.0
108.08909	3.3
109.06509	13.5
109.10145	27.7
110.06876	0.4
110.10491	1.0
118.70901	0.4
119.01810	0.6
119.06071	1.1
119.77399	0.5
121.10139	1.5
123.08085	2.3
123.11693	8.5
128.02332	0.8
131.08548	1.1
132.32286	0.6
133.09100	0.8
133.10114	15.6
134.10440	0.7
146.97243	0.4
151.03926	0.4
151.11168	38.8
152.11497	1.7
167.02467	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1117
Annotation	(+)-Sabinone
Peak:m/z	Relative Intensity
53.03932	1.5
55.01867	3.7
55.05499	6.1
56.96551	4.5
57.03434	2.4
57.07079	6.8
59.04996	34.3
61.02913	1.2
65.03928	3.4
66.04662	1.0
67.05502	42.7
68.05015	1.5
68.05804	1.5
68.99771	1.5
69.03427	12.6
69.07064	100.0
70.07387	3.0
71.04985	4.4
73.02916	1.9
74.97572	1.2
79.05499	16.0
81.03400	3.5
81.07052	90.5
82.06583	1.1
82.07401	1.9
83.04971	1.9
90.01534	1.7
91.05473	22.1
93.07039	27.6
95.04971	23.7
95.08604	27.8
98.20689	2.2
98.97568	2.3
105.07023	28.3
105.08108	1.5
106.02290	1.0
107.04928	2.4
107.08592	37.2
108.02052	1.8
108.05717	1.4
108.08908	1.6
109.06515	76.6
109.10151	83.7
110.01249	1.7
110.07112	3.6
110.10487	3.3
111.07932	4.1
116.98597	1.9
119.01817	5.2
119.04906	2.0
119.06055	1.1
120.69802	1.2
121.06482	1.3
121.10145	5.0
123.04452	7.7
123.07162	2.0
123.08060	21.1
123.11700	79.5
124.07614	2.0
124.08510	1.2
124.12073	2.5
125.48688	1.8
128.02339	7.3
131.08546	1.7
133.06459	1.0
133.10127	23.3
134.99626	1.5
136.08803	1.6
139.53076	2.0
146.99583	1.1
151.02849	1.4
151.03925	20.0
151.05020	1.8
151.07552	9.0
151.09843	4.7
151.11168	71.3
151.14792	1.9
152.01636	2.2
152.04388	1.2
152.07025	1.9
152.11555	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	151.1118
Annotation	4-Isopropyl-3-methylphenol
Peak:m/z	Relative Intensity
53.03947	0.8
55.01876	0.9
55.05504	2.7
56.96562	1.1
57.03431	1.0
57.07068	0.9
59.04997	1.4
59.06106	0.4
65.03951	1.2
67.05505	30.5
68.05029	0.5
69.03416	2.1
69.07065	2.4
70.06568	0.4
70.64381	0.4
71.39571	0.5
71.39892	0.6
79.05497	5.4
81.03415	0.7
81.07056	27.6
82.07390	1.0
85.02935	0.5
90.01539	0.7
90.05464	0.4
91.05483	8.6
93.04545	0.5
93.07044	12.1
95.04971	6.5
95.08600	5.9
98.97591	1.5
103.30687	0.5
105.07028	11.1
106.07342	0.7
107.04968	0.8
107.08591	23.5
108.05795	0.6
108.08933	0.7
108.74835	0.4
109.06520	25.6
109.10155	100.0
110.01276	0.9
110.07092	1.5
110.09685	1.5
110.10496	3.7
111.07943	2.8
116.48111	0.4
116.98629	0.8
117.06944	0.4
119.01787	2.3
119.04965	0.8
119.06064	0.6
121.10145	1.1
123.04435	1.5
123.08073	6.7
123.11700	12.8
124.08702	0.5
124.12067	0.8
125.70650	0.4
127.03870	0.4
127.07554	0.5
128.02328	1.3
133.06512	0.8
133.10121	9.7
135.08044	0.5
136.08861	0.5
137.02806	0.8
139.53087	0.5
141.05469	0.6
151.02837	0.6
151.03947	4.9
151.05014	0.6
151.07623	3.3
151.09990	1.7
151.11179	47.5
152.01685	0.6
152.04272	0.4
152.07022	1.0
152.08188	0.6
152.11572	2.3
159.31204	0.4
159.32404	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0753
Annotation	Methyl phenylacetate
Peak:m/z	Relative Intensity
53.03930	0.8
55.01864	1.1
55.05505	2.2
56.96562	3.3
57.03428	1.1
57.07071	0.8
59.04988	1.4
59.06110	0.4
61.02915	0.9
65.03944	2.9
66.64361	0.3
67.05502	10.2
68.05010	1.0
68.56487	0.4
69.03418	1.5
69.07063	1.4
69.51298	0.4
70.06617	0.3
71.04990	0.8
71.33061	0.8
73.02912	1.0
73.04021	0.5
75.05603	0.9
77.03967	0.4
79.05485	4.5
80.05013	0.3
81.03405	1.1
81.07052	16.8
82.06583	0.5
83.06120	0.7
85.02908	1.0
87.05571	1.7
89.06048	0.6
90.01551	0.6
91.05476	100.0
92.05801	2.4
93.07035	9.5
94.07378	0.5
95.01366	0.5
95.04961	11.1
95.05560	0.7
95.06120	0.6
95.08600	4.1
96.01546	0.9
96.08131	0.5
97.02899	0.5
97.07676	0.9
98.01306	0.6
98.97579	1.4
101.00718	0.6
103.05456	1.2
105.03391	1.5
105.04520	0.4
105.07024	12.0
106.06580	0.5
107.04958	2.9
107.06068	0.5
107.08585	12.9
107.09290	0.8
108.02081	1.3
109.02898	0.4
109.06512	8.9
109.07671	0.9
109.10152	7.7
110.01266	2.2
110.06042	0.5
110.07150	1.1
111.07929	1.0
116.98610	1.4
119.01803	2.7
119.04935	33.5
120.05308	1.3
121.06506	3.3
121.10165	0.4
121.52104	0.4
123.04416	7.6
123.08060	5.5
123.09013	0.5
123.11700	8.0
124.07610	0.7
124.08706	0.9
124.09546	0.4
125.11755	0.4
128.02328	2.3
128.98653	0.6
133.02827	2.2
133.06517	0.9
133.10118	8.1
134.05968	0.9
134.06981	0.5
134.99693	1.0
135.06787	0.6
135.09187	0.7
136.08789	0.6
137.02869	1.4
138.89871	0.3
139.53110	0.5
141.05489	1.3
141.28859	0.3
146.99675	0.9
150.96916	0.4
151.02739	0.6
151.03934	10.0
151.05026	1.4
151.05980	0.8
151.07526	3.6
151.08652	1.1
151.09857	1.1
151.11166	10.9
152.01624	0.6
152.07085	1.9
152.08163	0.6
152.11690	0.6
168.22937	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0391
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21412	0.7
53.03938	1.8
55.01868	7.9
55.05515	1.9
56.05024	1.7
56.96563	86.1
57.03432	26.4
58.03749	1.0
59.04984	3.7
60.02122	1.3
60.68430	0.9
60.95844	1.0
61.02919	15.9
61.80399	0.9
64.50005	1.0
65.03943	4.9
67.05499	9.7
68.00242	1.7
68.02638	3.4
69.03419	15.1
69.05055	0.9
69.07046	1.8
69.99194	4.7
70.03760	1.0
71.01348	2.9
71.04985	7.0
71.47539	0.9
71.95261	1.6
73.02493	1.8
73.02911	33.7
74.03231	1.4
74.97609	6.7
75.01036	1.7
75.04478	1.7
75.99989	1.6
77.00784	7.9
79.05479	6.3
80.00236	1.2
81.01022	2.6
81.03410	14.8
81.07048	14.3
82.01844	1.2
82.03732	1.7
83.00782	6.5
83.01257	1.0
83.04980	2.2
84.01603	1.2
84.96035	4.2
85.00526	1.3
85.02898	27.2
86.00175	1.1
86.01289	1.8
86.03228	1.6
86.03694	4.0
86.20821	1.0
87.01006	1.8
87.04451	3.6
88.51576	1.3
89.00768	11.1
89.06008	1.9
90.01545	14.0
90.51717	1.6
91.02340	1.9
91.02974	1.0
91.05476	83.5
92.00218	1.4
92.01302	10.1
92.05008	1.0
92.05780	1.6
92.98640	2.1
93.05798	1.2
93.07047	8.6
94.03535	1.9
94.51563	1.5
94.53347	1.0
95.00742	6.6
95.04967	7.6
95.08611	4.8
95.52349	1.3
96.01550	16.5
97.00503	4.0
97.02879	15.2
97.99156	6.6
98.01289	21.2
98.51482	1.3
98.97575	48.8
99.02061	6.6
99.04449	5.2
99.97894	1.1
100.02476	7.8
100.03548	3.0
100.05205	1.6
100.51544	3.1
100.53344	2.1
101.00748	9.9
101.02547	3.4
101.50847	0.9
101.52341	4.5
102.02237	3.2
103.02367	2.1
103.05418	1.2
103.52103	1.2
104.01277	13.8
104.52725	1.0
105.00330	1.7
105.02060	6.7
105.02710	1.8
105.03408	0.9
105.07018	12.2
106.01023	5.0
106.02871	1.2
106.06532	2.0
107.01809	11.8
107.04918	3.0
107.08589	10.1
107.52353	1.3
108.02504	2.3
108.51289	1.0
109.02863	12.4
109.04907	1.6
109.06506	9.9
109.10155	6.3
109.52068	3.3
110.01273	50.5
110.03468	3.2
110.06046	8.0
110.51434	3.5
110.97567	6.5
111.04470	1.5
112.51526	1.6
113.01797	3.5
114.03301	3.2
114.53056	1.9
115.02433	1.4
115.04097	1.2
115.52060	3.0
115.97861	1.1
116.00213	7.2
116.98616	43.7
117.02093	1.5
117.02942	1.7
118.01129	1.5
118.03525	5.1
118.52642	2.2
119.01802	89.5
119.03593	4.0
119.04929	32.6
119.51952	5.5
120.00909	1.0
120.01995	2.7
120.03257	3.5
121.01664	2.6
121.04122	1.5
121.06490	2.8
121.52064	7.9
122.02294	1.0
122.05988	1.8
123.04469	6.1
123.08049	5.1
123.11681	5.9
124.03950	1.1
124.07587	1.5
124.52612	1.4
125.51864	1.2
127.03899	8.4
128.02312	82.4
128.04475	2.5
128.52470	5.8
128.98595	15.8
129.03958	3.8
130.04581	1.5
130.52589	15.8
130.54419	0.9
131.00163	3.0
131.01884	2.6
132.01962	1.9
133.01666	2.2
133.02684	1.2
133.03557	1.3
133.05093	1.1
133.06471	1.7
133.10110	5.2
134.01259	1.2
134.03568	1.1
134.06023	2.9
134.99651	27.9
135.03032	2.8
137.02829	29.4
137.53020	2.3
139.53101	14.1
140.00139	5.7
140.03262	1.4
140.98532	1.9
141.02696	2.5
141.05400	1.5
142.02666	2.0
142.03630	1.6
143.00163	1.9
143.02448	2.7
143.03601	3.4
144.03212	3.7
144.98093	2.2
145.03555	1.0
145.04970	1.2
146.99641	21.9
147.01401	2.0
147.05032	6.1
148.53621	3.5
149.01257	2.2
149.03760	1.2
151.02827	1.6
151.03923	10.5
151.05907	5.9
151.07442	6.4
151.11148	12.0
152.05670	51.1
152.07048	100.0
153.00658	3.4
153.04065	12.0
155.03551	1.4
158.01262	10.4
158.99641	2.6
159.03249	1.0
161.01207	3.4
162.99141	3.1
165.00728	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1325
Annotation	Ectocarpen
Peak:m/z	Relative Intensity
53.03934	3.1
55.05508	12.3
57.07063	2.0
65.03928	5.0
66.29026	1.2
67.05505	7.1
69.07068	21.5
70.26016	1.3
70.70533	4.5
70.88481	1.3
77.03930	1.5
79.05493	20.7
81.07058	37.8
83.08619	1.6
91.05483	19.0
93.03395	1.7
93.07042	100.0
94.07366	4.1
95.04961	5.2
95.08601	5.3
105.06999	9.2
107.08593	67.8
108.08935	2.6
109.06500	2.3
119.08662	1.6
121.02861	4.2
121.06494	1.8
121.10133	32.8
122.10478	1.9
149.02316	13.2
149.13263	58.3
150.02734	2.0
164.46790	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.039
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	4.3
55.01869	7.6
55.05512	8.2
56.96569	52.4
57.03437	12.5
57.07073	3.0
59.05000	13.7
61.02921	10.4
65.03941	3.8
67.02985	2.0
67.05503	31.0
68.05022	10.4
68.95285	5.9
68.96323	7.6
69.03430	15.5
69.04556	8.6
69.06715	2.9
69.07067	36.8
70.06629	2.2
70.78284	3.5
70.78630	2.4
71.01375	1.9
71.04997	4.1
73.02923	15.8
74.97607	4.7
77.00774	4.7
77.77055	1.6
79.05493	14.6
81.03407	4.4
81.04551	2.0
81.06574	3.6
81.07055	64.6
82.01860	1.6
83.00806	2.2
83.04996	2.4
83.06097	4.9
84.05628	2.3
85.02911	12.0
86.03544	2.1
86.97375	3.0
87.00449	2.5
88.00470	1.7
88.26182	1.9
89.00778	5.3
90.01553	7.1
91.05476	20.1
92.01321	4.9
93.04546	1.7
93.07031	19.1
94.51557	2.1
95.00772	1.9
95.04974	25.4
95.08606	20.5
96.01544	6.8
96.02097	2.5
96.04430	1.8
96.05741	2.1
97.00486	3.6
97.02900	8.9
97.99182	7.4
98.01297	10.1
98.51277	2.9
98.97578	24.1
99.02087	4.3
99.04449	1.8
99.51267	6.2
100.51507	3.2
101.00750	6.5
101.52344	5.3
103.52122	2.2
104.01283	5.4
105.02074	3.7
105.03375	2.2
105.07032	38.0
106.29060	1.5
107.01801	6.4
107.02473	1.7
107.04951	4.0
107.06100	2.1
107.08594	36.5
108.05740	1.9
108.51831	4.4
109.02880	3.0
109.06515	61.9
109.07652	3.2
109.10152	29.1
109.52074	4.2
109.98963	3.6
110.01278	23.6
110.06065	2.7
110.07176	18.4
110.97590	2.2
111.07948	26.3
112.51596	1.5
113.01817	3.5
113.96431	3.2
115.52106	2.4
116.00234	2.3
116.48154	6.8
116.53432	5.8
116.98638	21.0
117.52408	1.8
118.52596	3.8
119.01797	37.8
119.51984	2.4
121.06452	2.8
121.10120	4.4
121.52076	9.2
122.07133	4.7
123.04429	12.0
123.08076	24.8
123.11709	42.9
124.03958	2.6
124.05080	2.1
124.07623	2.7
124.08709	5.9
127.03936	4.8
127.13147	1.8
127.98991	2.2
128.02321	44.6
128.04257	4.2
128.52538	3.2
128.98615	5.6
130.52603	14.6
131.97446	4.1
133.02840	3.3
133.06494	3.7
133.10133	24.4
134.05966	1.9
134.07120	2.9
134.10466	2.3
134.99657	10.7
136.08792	2.7
137.02809	15.5
139.53091	18.6
140.00165	3.8
142.03404	2.3
143.00165	1.7
146.99657	7.6
148.53633	2.0
151.02852	3.6
151.03915	16.8
151.05019	3.4
151.06435	1.6
151.07674	11.5
151.09821	25.6
151.11189	100.0
152.01669	3.3
152.07088	7.3
152.08203	4.7
152.11621	3.1
152.14351	3.5
153.00653	1.8
158.01268	5.3
158.99658	2.7
165.00761	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	149.0961
Annotation	Dehydrocarvacrol
Peak:m/z	Relative Intensity
53.03942	1.8
63.51789	0.7
65.03937	3.9
67.05492	1.0
69.03433	1.2
71.32389	0.9
71.32706	0.7
79.05477	2.9
81.07061	1.9
91.05479	35.9
92.05799	1.4
93.07037	4.6
95.04965	2.0
95.25835	0.6
96.39852	0.6
103.05470	1.5
105.07027	7.4
106.44443	0.8
107.04968	5.6
108.05779	0.7
109.06516	47.6
110.06835	2.1
115.05461	0.8
116.06225	2.8
119.06065	2.6
119.08588	0.8
121.06499	100.0
121.10118	8.9
121.10912	1.0
122.06843	5.3
122.88373	0.8
123.08038	1.7
128.95857	0.7
129.06979	1.0
131.08556	2.4
149.02364	0.9
149.09613	42.3
150.09956	3.0
159.83559	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0962
Annotation	5,6,7,8-Tetrahydro-2-naphthol
Peak:m/z	Relative Intensity
53.03947	1.3
54.18523	0.4
55.01863	1.1
55.05506	0.5
56.02142	0.5
65.03938	11.8
65.39893	0.5
67.05515	0.5
68.99776	0.6
69.03427	0.6
70.23196	2.3
70.41225	0.5
77.03906	0.4
79.05492	1.6
80.05034	0.6
81.03415	0.5
81.07060	1.0
91.05477	20.1
92.05786	0.8
93.03406	3.5
93.07038	8.1
95.04965	3.1
103.05470	4.3
105.07044	3.4
107.04970	2.4
107.08586	1.5
108.05709	0.8
109.06517	10.0
111.04442	3.2
115.05444	1.1
116.06236	4.0
119.06013	0.7
121.02877	14.9
121.03973	1.9
121.06499	100.0
121.10096	4.1
122.03167	0.8
122.06818	5.4
123.08071	0.5
129.07001	2.3
131.04906	3.7
131.08549	3.1
133.06544	0.5
149.02339	36.7
149.06023	2.5
149.09618	25.5
149.13246	0.9
150.02672	2.1
150.05515	1.2
150.10043	2.2
167.03415	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0961
Annotation	4-Phenylbutan-2-one
Peak:m/z	Relative Intensity
52.03674	1.7
53.03940	4.1
55.01863	4.7
55.05505	2.8
57.03429	4.8
61.60860	1.7
62.40124	1.7
65.03938	25.9
66.04268	1.7
67.05489	2.0
69.03426	9.5
69.97038	5.9
69.97452	4.2
79.05490	17.7
81.03400	2.3
81.07045	6.8
91.05479	69.8
92.05798	3.0
93.03394	5.1
93.07039	53.4
94.07367	2.8
95.04987	10.7
95.09142	1.9
103.05479	16.2
104.05782	1.9
105.07042	17.6
107.04936	4.2
107.08617	12.2
108.04472	3.3
109.06496	7.3
110.08405	3.8
111.04446	6.6
115.05433	4.0
116.06257	16.0
119.08590	5.1
121.02869	32.2
121.04002	5.7
121.06494	30.2
121.10135	23.3
122.05997	2.7
122.06884	1.9
123.08053	2.7
125.05990	2.6
129.06992	14.6
131.04907	10.0
131.08563	100.0
132.08908	5.3
133.07579	2.5
149.02347	79.3
149.05954	7.3
149.08400	3.6
149.09607	66.6
150.02669	6.4
150.05513	7.1
150.10078	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	149.0961
Annotation	4-Phenylbutan-2-one
Peak:m/z	Relative Intensity
53.03934	2.9
55.01863	2.0
55.05505	2.2
57.03431	3.5
65.03928	5.2
67.05483	1.7
69.03420	7.7
71.06139	4.1
77.03882	1.4
79.05489	14.7
81.07039	5.0
91.05474	66.7
92.05786	3.0
93.03386	1.8
93.07037	52.5
95.04955	7.2
103.05463	8.7
103.98744	1.3
105.07040	11.2
107.04950	2.2
107.08595	8.2
109.06506	7.9
115.05452	3.9
116.06218	13.1
119.08591	3.0
121.02855	6.4
121.06497	62.8
121.07376	3.3
121.10134	29.0
123.08034	3.1
129.06995	11.1
131.04903	5.9
131.08560	100.0
132.08867	3.9
149.02328	10.7
149.05962	2.8
149.09613	60.1
150.05505	1.8
150.09996	3.6
155.18378	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0961
Annotation	4-Phenylbutan-2-one
Peak:m/z	Relative Intensity
53.03940	1.7
57.03414	0.6
61.40427	0.6
65.03938	4.0
67.72936	0.5
71.25754	1.3
74.94314	0.6
79.05489	8.8
81.07037	1.0
91.05477	100.0
92.05780	3.5
93.03420	1.4
93.07035	15.7
95.04973	1.8
103.05460	2.4
105.07038	3.9
105.18620	0.5
107.04964	1.4
107.08597	2.6
109.06523	2.9
111.04491	1.2
116.06209	1.3
119.08572	21.2
120.08875	0.8
121.02848	6.4
121.03963	1.0
121.06500	28.3
121.10129	4.2
122.06873	1.2
123.08057	0.7
129.06999	1.3
131.04901	1.3
131.08566	11.6
132.08926	0.9
132.32732	0.7
133.06502	0.8
149.02328	13.2
149.09613	44.0
150.02638	1.3
150.05470	1.0
150.10004	2.6
154.25166	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0961
Annotation	Dehydrocarvacrol
Peak:m/z	Relative Intensity
53.03942	1.5
55.01854	0.7
55.05517	1.3
56.26239	0.6
65.03943	4.4
67.05499	1.1
69.03381	0.6
69.21485	0.6
69.84347	2.5
69.84760	1.4
79.05493	10.9
81.07041	1.1
91.05484	16.1
93.07045	24.3
95.04948	2.7
103.05460	3.7
105.04501	0.7
105.07030	19.9
106.07859	3.0
107.04898	0.9
107.08575	0.9
109.06518	11.4
111.04426	0.7
116.06238	1.4
119.06079	1.0
119.08606	3.0
121.02864	5.6
121.03654	0.8
121.04057	0.6
121.06499	22.6
121.10139	19.6
122.06839	1.2
122.10486	1.1
123.08063	2.7
129.07053	0.8
131.08545	1.8
133.07608	0.9
134.07204	0.7
146.91705	0.6
149.02344	10.7
149.09619	100.0
150.05516	0.8
150.09938	5.1
166.61224	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0961
Annotation	5,6,7,8-Tetrahydro-2-naphthol
Peak:m/z	Relative Intensity
53.03935	1.1
55.01867	0.6
55.05498	0.5
65.03596	0.6
65.03938	8.0
66.04282	0.4
67.05494	0.4
68.99783	0.5
69.07039	0.6
71.62378	0.5
77.03925	0.6
79.05483	2.4
81.07066	1.8
91.05480	17.1
92.05817	0.8
93.03394	1.5
93.07046	9.6
94.98029	0.3
95.04960	2.3
103.05453	3.1
105.07005	2.5
106.04156	0.5
107.04963	2.4
107.08589	3.3
108.04509	0.3
108.05720	0.8
109.06506	8.6
111.04438	1.3
115.05448	1.4
116.06231	3.3
117.65865	0.3
119.08560	0.6
121.02881	10.6
121.04002	1.5
121.06499	100.0
121.10127	3.9
122.03131	0.5
122.06828	4.8
122.10513	0.3
123.08079	0.4
129.06995	1.6
131.04913	1.7
131.08554	1.9
133.06471	0.4
137.29102	0.3
140.78960	0.3
149.02345	26.6
149.05983	2.1
149.09612	25.1
149.13225	2.4
150.02670	1.5
150.03760	0.6
150.05493	0.9
150.09949	1.8
167.03419	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.044
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43970	0.6
56.57395	0.7
61.47292	0.7
64.04213	0.7
65.03941	6.8
71.44180	1.2
87.68520	0.8
91.05480	75.5
92.05824	4.8
102.58608	0.6
119.04939	100.0
120.05272	5.2
147.04407	58.5
148.04704	3.8
169.91037	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.044
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
54.58612	0.6
60.57854	0.6
65.03937	6.3
69.05162	0.6
74.09615	0.6
84.76885	0.6
91.05479	74.4
92.05807	2.5
98.20708	1.3
99.47427	0.6
101.61092	0.6
105.07044	1.2
115.97321	0.6
119.04939	100.0
120.05264	4.0
123.96459	1.5
131.78117	0.6
147.04405	55.1
147.11638	0.8
148.04747	3.9
166.63213	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.044
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
55.80193	0.4
65.03938	5.9
70.91148	1.0
72.40695	0.5
75.04218	0.4
91.05479	81.2
92.05819	2.9
105.07038	1.7
108.82784	0.4
119.04941	100.0
119.08570	1.9
120.05270	5.6
123.96512	0.6
147.04407	56.7
147.11696	1.4
148.04779	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	149.0961
Annotation	4-Phenylbutan-2-one
Peak:m/z	Relative Intensity
51.31411	1.7
53.03943	3.4
55.01860	4.2
55.05497	1.8
59.59322	1.6
65.03930	2.5
69.03431	9.2
71.43784	3.1
79.05486	14.7
81.07053	5.8
86.91916	1.9
91.05476	75.9
92.05805	2.0
93.07041	57.2
94.07352	3.3
95.04974	7.2
103.05458	8.0
105.07033	11.0
107.04942	2.6
107.08611	10.0
109.06538	8.4
115.05438	3.7
116.06246	16.6
119.08574	2.8
121.02856	2.9
121.06501	64.9
121.10136	27.5
122.06819	5.3
123.08021	2.8
129.07004	12.1
131.04936	6.0
131.08566	100.0
132.08929	5.4
133.06512	2.3
134.44643	1.7
138.93900	1.8
149.02327	4.8
149.09615	62.1
150.09979	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.044
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
65.03940	6.4
69.29306	0.4
69.78961	2.2
69.79369	0.7
71.73331	0.4
72.17262	0.4
84.04517	0.8
87.49501	0.4
89.18060	0.4
91.05480	85.9
92.05808	2.1
98.20788	0.6
105.07048	2.9
112.60674	0.4
117.06970	0.8
119.04941	100.0
119.08583	3.0
120.05268	4.3
147.04408	59.2
147.11719	2.3
148.04773	3.5
161.14742	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.044
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
59.23510	0.5
65.03941	5.9
71.04769	0.9
89.79407	0.5
90.30886	0.5
91.05479	76.3
92.05793	2.4
95.04971	0.8
101.04845	0.6
105.07037	0.7
119.04937	100.0
120.05273	4.9
145.09990	0.6
147.04402	52.9
147.11714	0.6
148.04732	3.5
160.35768	0.5
160.52211	0.5
161.75337	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.044
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
51.29967	0.5
60.91127	0.5
65.03935	5.8
70.19674	1.9
91.05478	74.7
92.05794	2.8
98.21444	0.6
119.04936	100.0
119.70134	0.5
120.05257	4.1
145.94725	0.5
147.04404	58.0
148.04747	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	147.044
Annotation	Unknow
Peak:m/z	Relative Intensity
60.45629	0.5
62.35210	0.5
65.03937	5.2
70.91689	1.0
70.92020	0.8
91.05481	72.1
92.05798	2.8
96.87946	0.5
119.04942	100.0
120.05289	4.9
147.04411	59.6
148.04768	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	147.044
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
65.03941	7.9
69.28148	0.6
70.01441	3.8
79.74011	0.6
83.67049	0.6
89.72118	0.6
91.05480	79.1
92.05807	2.4
104.25658	0.6
119.04941	100.0
120.05273	4.3
147.04407	58.5
148.04744	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	147.044
Annotation	Unknow
Peak:m/z	Relative Intensity
56.83491	0.7
60.23340	0.7
61.67422	0.6
65.03938	6.2
70.23093	1.9
91.05481	77.2
92.05831	3.0
96.26846	0.6
98.21396	1.0
119.04942	100.0
120.05246	4.2
147.04407	61.3
148.04762	2.4
168.88536	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0441
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59493	0.7
53.10224	0.6
55.14650	0.8
55.27403	0.7
57.37318	0.6
58.81961	0.7
61.35309	0.6
65.03940	6.9
65.60573	0.8
66.88071	0.6
69.62850	0.6
70.10484	2.9
70.10884	1.7
91.05485	77.0
92.05810	1.9
98.21500	0.9
109.81336	0.7
119.04950	100.0
120.05264	4.0
147.04413	59.6
148.04753	2.6
154.88760	0.9
168.46300	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.044
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	0.5
57.45404	0.5
65.03936	7.9
69.29124	5.6
73.32980	0.6
79.07558	0.6
84.45732	0.5
91.05476	82.8
92.05804	2.6
98.87735	0.6
105.07018	1.3
119.04936	100.0
119.08549	2.9
120.05280	5.0
124.47038	0.6
138.86882	0.5
147.04401	60.3
147.11699	1.2
148.04771	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.044
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
50.72652	0.4
55.82085	0.4
60.99818	0.5
65.03940	6.6
69.52294	4.2
91.05479	75.1
92.05817	3.2
98.20741	0.8
103.87394	0.5
105.07014	1.8
119.04942	100.0
119.08557	1.6
120.05275	4.8
120.54162	0.5
147.04410	61.7
147.11703	1.0
148.04790	3.6
158.85201	0.5
164.67366	0.5
169.52155	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.044
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
54.93692	0.3
63.02366	0.4
65.03934	7.9
70.01060	1.6
70.99519	0.3
75.82668	0.3
79.70039	0.3
81.46858	0.3
81.62154	0.3
91.05477	83.3
92.05809	3.3
95.04982	0.7
96.70341	0.3
101.03883	0.4
111.04440	0.4
119.04938	100.0
119.36192	0.4
120.05268	4.7
147.04404	50.6
148.04755	3.1
156.55072	0.4
169.00760	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.044
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
65.03934	7.5
70.88651	1.5
84.73855	0.6
85.28587	0.6
87.29765	0.6
89.91570	0.7
91.05479	79.6
92.05817	3.4
98.38410	0.7
117.24088	0.6
119.04940	100.0
120.05278	4.4
122.88065	0.7
131.48332	0.6
136.49214	0.7
147.04410	63.6
148.04752	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	147.0439
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03940	7.4
71.04984	1.4
80.91969	0.7
89.19038	0.6
91.05479	81.2
92.05815	2.1
119.04939	100.0
120.05274	4.8
147.04404	57.5
148.04753	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	144.102
Annotation	1-Aminocyclohexanecarboxylic acid
Peak:m/z	Relative Intensity
55.80375	0.3
56.96568	0.5
57.03432	0.5
58.06588	0.6
60.16006	0.2
63.48378	0.2
63.82804	0.3
66.84948	0.2
69.03411	0.7
70.06589	3.8
70.46187	0.8
70.46545	0.4
71.04971	0.3
71.29865	0.2
73.02897	0.4
84.08146	1.7
85.02882	0.9
90.31764	0.3
95.16307	0.2
96.08060	0.2
97.02879	0.5
98.06059	0.6
98.09690	100.0
98.97598	0.3
99.04428	0.4
99.10020	3.0
103.02338	0.5
109.02839	0.3
118.66027	0.3
119.01917	0.4
120.02049	0.6
121.01642	0.4
127.03942	0.3
127.09486	0.3
133.03514	0.3
144.10193	38.1
145.10530	1.3
163.57921	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	144.102
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.6
55.01855	0.4
55.43642	0.2
56.05040	0.3
56.96553	0.8
57.03433	0.8
69.03427	1.0
70.06591	4.5
71.05006	1.3
71.58993	0.5
81.03416	0.7
82.22281	0.3
84.08141	0.5
85.02904	2.0
94.03558	0.3
97.02882	0.7
98.06076	1.0
98.09690	100.0
98.97594	0.4
99.04448	4.0
99.10021	3.7
113.66535	0.2
116.98608	0.4
120.02081	0.3
121.03378	0.6
127.03913	1.0
139.61572	0.3
144.03748	0.7
144.06546	0.6
144.10194	35.1
145.04965	1.1
145.10510	1.4
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
53.03935	0.5
55.01865	1.1
55.05513	0.6
56.05059	0.5
56.96292	0.9
56.96566	16.4
57.03425	2.3
59.04992	0.5
59.06120	0.5
60.95855	2.3
61.02931	4.2
62.75323	0.4
64.62662	0.4
67.05474	0.5
68.00276	0.7
69.03426	2.4
70.06586	5.8
70.98122	0.9
71.04971	1.6
71.60273	0.6
71.95254	0.5
72.01952	0.4
73.02915	1.3
74.97592	0.6
75.01038	0.7
77.00795	1.5
78.57098	0.4
81.03413	0.8
83.00775	1.0
83.01391	0.6
83.04970	0.8
84.01570	0.9
84.08144	3.9
84.96051	2.3
85.02910	2.9
86.01303	0.6
86.96848	0.5
87.00811	0.4
88.99141	0.8
90.01583	0.9
91.00510	0.7
92.01278	0.9
95.99702	0.4
97.02876	1.1
98.01286	1.0
98.06063	0.9
98.09690	100.0
98.97581	8.3
99.04459	2.7
99.10001	2.6
100.02479	0.8
101.00812	0.7
101.78928	0.5
102.96868	4.9
103.00622	0.7
103.02423	0.5
104.01262	0.8
107.01820	0.6
109.02928	0.6
111.03773	0.5
113.20637	0.5
116.00236	0.6
116.98616	5.9
118.03502	0.6
118.99998	0.5
119.01885	1.8
120.02006	1.5
120.97900	6.0
121.01643	3.2
121.03454	0.7
121.61506	0.6
124.95483	1.1
127.03901	0.8
127.09496	1.2
128.98608	1.5
134.99628	2.8
138.03030	0.5
138.98927	4.0
139.02718	1.3
142.03586	0.6
142.96552	1.6
144.03233	0.7
144.10197	36.9
145.05037	0.7
145.10541	1.4
146.99680	1.0
157.00060	0.6
158.99750	0.4
160.97569	1.9
161.01364	0.5
161.02910	0.9
162.00546	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	139.0389
Annotation	Sesamol
Peak:m/z	Relative Intensity
50.92475	0.4
53.03952	2.3
54.03460	1.5
55.01879	4.3
55.05516	2.9
55.75768	0.5
56.03748	0.5
56.05028	3.3
56.96292	0.6
56.96562	8.2
57.12452	0.4
58.06598	0.6
59.06107	1.3
65.03939	12.4
67.01852	2.3
67.05501	5.4
68.05025	0.8
68.99789	7.1
69.03424	2.2
69.07060	1.1
70.06567	0.8
70.84944	1.0
70.85262	0.5
71.01332	1.2
71.06108	1.0
71.95249	0.9
77.76937	0.4
79.05473	1.2
81.04516	1.6
82.02956	0.7
83.04977	7.1
83.06094	2.5
84.04500	0.9
91.05451	0.5
93.03400	8.9
93.07029	1.6
94.03737	0.6
94.06591	0.5
95.04958	4.0
95.06083	1.9
95.08615	0.9
96.05601	2.0
97.02887	1.9
97.06466	1.8
97.07651	1.0
98.07172	5.1
98.97574	6.4
98.98446	1.4
99.05576	2.3
111.04440	31.1
111.08106	0.4
112.03971	0.5
112.04722	0.8
112.08730	1.3
113.07123	1.6
116.97237	0.9
116.98615	9.0
121.02856	2.9
121.10110	0.9
122.07143	2.9
123.05537	2.7
123.09112	0.5
134.99655	7.3
139.03897	100.0
139.08733	0.7
139.09779	4.1
139.11163	2.1
139.12193	0.7
140.03305	0.8
140.04262	2.8
140.07117	0.5
140.08179	6.8
140.11731	0.4
141.06589	0.6
148.25148	0.4
153.00705	1.6
158.01225	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	140.0018
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80387	1.3
54.03463	3.7
56.03775	1.4
56.05035	18.4
56.96566	30.0
57.04551	1.4
57.39675	1.6
57.93568	1.8
58.02951	1.4
58.06580	1.8
59.06123	4.3
60.04506	1.5
67.02982	1.9
67.93559	1.6
68.05023	5.6
69.04552	2.3
70.06596	2.6
71.06104	4.4
71.38483	2.2
71.95267	2.8
72.04514	2.3
72.08149	1.5
81.04516	8.1
82.02921	2.6
83.06100	10.7
83.65012	1.2
84.04494	5.6
85.07644	2.8
91.02719	1.3
93.66879	1.3
95.06089	10.1
96.04485	2.6
96.05630	7.4
97.06386	2.7
98.07178	10.7
98.97581	81.5
99.05581	9.2
100.06351	2.1
101.67394	1.2
112.07575	1.8
113.07140	8.4
116.97360	11.7
116.98615	100.0
122.06023	1.2
122.07175	8.6
123.05546	11.4
123.09222	1.7
134.99651	88.6
136.00020	1.4
140.00197	2.4
140.03369	2.9
140.07124	1.1
140.08177	27.5
141.01819	3.6
141.06602	2.5
153.00702	15.1
158.01205	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	140.0019
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09145	1.0
56.05069	0.9
56.96562	31.4
63.57504	0.8
66.51295	0.8
70.20477	2.8
71.95261	4.9
81.03390	0.8
82.21983	0.8
98.97577	99.6
116.98612	100.0
117.98968	2.1
134.99644	69.3
140.00189	2.5
153.00694	12.6
158.01247	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	142.0349
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46740	3.9
56.96572	3.5
71.02621	11.5
77.10192	3.4
79.35938	3.5
88.72113	3.9
98.97539	4.6
101.00890	20.6
111.33483	3.6
119.01920	100.0
120.02044	5.8
121.05647	4.2
121.75809	4.0
129.97827	3.7
137.02985	37.4
137.50055	4.8
142.03473	28.0
144.05132	3.9
160.04565	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	142.035
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	8.5
55.05506	7.9
56.05033	3.7
56.96564	36.6
57.03440	14.9
59.05002	2.8
61.02927	2.4
64.56993	1.8
64.80619	2.1
69.03437	10.6
69.07062	7.1
69.64529	10.7
69.64937	3.1
73.02917	8.2
77.00825	3.6
78.53005	2.5
80.51820	2.1
81.03430	6.8
82.06533	2.3
83.00771	4.8
83.01295	2.2
85.02897	8.0
88.03554	2.0
92.01295	3.2
93.53452	3.1
94.51595	2.1
96.01548	4.6
96.08137	25.2
97.02895	11.9
98.06031	4.3
98.52707	2.3
98.97574	23.6
100.02489	6.7
101.00871	14.8
102.02378	5.5
107.01146	2.2
110.01282	9.0
110.51356	2.1
110.97570	3.3
111.00811	2.2
113.03474	2.1
114.02611	2.2
116.98605	15.3
118.03505	6.7
118.96803	3.1
119.01906	100.0
120.02027	4.4
122.53697	3.2
125.02365	12.1
125.07127	2.7
126.09165	10.0
128.02309	10.5
128.98627	4.5
133.03450	2.4
134.99677	7.6
137.02948	45.1
138.03041	2.5
140.00249	2.4
142.03506	35.3
142.08623	9.7
143.03400	74.3
146.99728	3.9
158.01242	2.9
160.04558	11.0
161.03030	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	138.055
Annotation	N-Methylnicotinate
Peak:m/z	Relative Intensity
52.54374	0.4
53.03941	1.4
55.01861	1.5
55.02114	0.4
55.05500	1.9
56.05030	1.2
56.96562	6.3
57.07060	0.6
65.03941	10.5
66.03467	0.7
67.05500	4.5
68.05007	1.1
68.05832	0.8
69.03413	0.9
69.04553	2.3
69.07059	0.6
70.02953	1.2
70.18979	2.1
72.04503	0.8
79.05499	1.0
80.05016	1.1
80.05816	0.5
81.04524	0.8
81.07062	2.7
82.06579	1.8
82.07381	3.4
83.04980	4.2
83.06096	3.4
92.05008	1.9
92.05798	0.8
93.03398	3.1
93.04532	1.1
93.05756	0.6
93.07045	1.5
94.06565	13.6
95.04982	5.8
95.06100	1.3
95.08600	1.8
96.04489	2.1
96.08933	4.3
97.04007	0.5
97.07662	1.8
98.04802	1.8
98.07156	1.1
98.98467	1.4
109.07674	0.7
110.06052	12.2
111.04440	19.6
111.05570	5.1
111.09211	1.0
112.05853	0.6
120.04462	6.0
120.05554	1.6
121.02863	3.7
121.03992	3.2
121.05257	5.4
121.06458	3.1
121.07617	1.6
122.07124	0.7
134.02940	0.8
138.01775	1.4
138.05505	100.0
138.06566	8.0
138.09103	1.8
138.10254	4.8
138.13602	1.0
139.03922	6.7
139.04936	0.8
139.05864	3.4
139.07556	0.8
139.08714	0.8
139.09796	2.2
139.11156	0.7
143.10881	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.1325
Annotation	(S)-(+)-alpha-Phellandrene
Peak:m/z	Relative Intensity
53.03947	1.8
53.55760	0.9
55.01869	1.3
55.05502	4.3
55.41847	0.9
56.05009	0.9
57.07071	6.9
63.85090	0.9
65.03941	5.4
66.04718	1.7
67.05505	18.4
69.03429	1.1
69.07066	5.1
69.27341	8.7
69.27757	3.4
72.04494	1.5
73.10770	1.0
79.05496	9.7
81.04543	1.4
81.07056	79.4
82.06581	1.1
82.07375	2.9
91.05481	74.5
92.05816	3.4
93.07043	6.9
94.04189	19.2
95.04967	2.0
95.08607	69.3
96.08930	3.4
97.06387	4.1
98.04781	1.7
107.04916	1.2
109.06503	4.7
109.10159	4.9
110.06039	1.8
110.07155	3.6
119.04947	26.3
122.03647	30.2
122.07307	1.1
123.04013	2.3
137.02394	4.1
137.05975	100.0
137.08212	3.7
137.09642	4.6
137.13234	13.7
138.01743	1.4
138.05405	5.4
138.06393	6.9
138.09174	1.3
138.10246	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	138.0549
Annotation	Trigonelline
Peak:m/z	Relative Intensity
51.02372	0.2
53.03936	0.3
55.01862	0.1
55.05505	0.4
56.96561	0.6
65.03937	0.8
67.05505	0.9
69.97077	0.8
79.10992	0.2
83.04961	0.6
92.04996	1.8
93.03410	0.2
93.05783	0.5
93.49928	0.1
94.06563	13.3
95.04960	0.9
95.06887	0.3
96.04488	2.2
100.02477	0.2
105.80161	0.1
110.06038	10.1
111.04447	0.5
111.06372	0.3
119.01924	0.2
121.02866	0.2
133.01674	0.2
133.03433	0.5
138.05493	100.0
139.04024	0.2
139.05840	4.4
139.06914	0.3
154.04967	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.1324
Annotation	gamma-Terpinene
Peak:m/z	Relative Intensity
53.03942	0.9
54.42645	0.2
55.05508	3.8
56.34970	0.2
56.94650	0.2
57.07073	9.0
64.27980	0.2
65.03949	0.6
66.23947	0.2
67.05502	17.6
68.05840	0.3
69.07065	7.0
70.75877	0.7
71.08628	0.9
74.80595	0.2
79.05489	8.0
79.43916	0.2
81.07053	100.0
82.07388	3.3
83.08598	0.3
91.05459	0.6
93.07041	3.6
95.08601	89.9
96.08920	3.0
107.08611	0.4
108.09345	0.7
109.10149	5.0
110.10531	0.3
120.87085	0.2
137.13248	16.3
138.13589	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.1325
Annotation	gamma-Terpinene
Peak:m/z	Relative Intensity
50.95863	1.0
55.05498	3.5
57.07074	9.1
67.05503	15.1
69.07070	7.3
70.86119	2.3
71.08597	1.1
79.05483	6.7
81.07055	100.0
82.07381	2.9
93.07030	4.6
95.08604	97.1
96.08937	3.6
109.10153	7.0
137.13229	18.9
138.13580	2.4
148.05458	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.1325
Annotation	(S)-(+)-alpha-Phellandrene
Peak:m/z	Relative Intensity
53.03938	2.5
55.05511	4.4
57.07078	10.4
65.03928	4.1
66.04710	2.5
67.05167	1.4
67.05502	20.8
69.07063	7.1
69.07387	1.3
69.42589	8.7
72.04512	1.7
76.57176	0.9
77.03883	1.3
79.05495	12.2
80.05037	1.0
80.05845	1.0
80.48654	0.8
81.03410	1.0
81.04530	3.2
81.07056	100.0
82.06555	2.6
82.07369	2.6
83.06112	1.4
85.49142	0.9
91.05479	50.1
92.05801	2.8
93.04520	1.3
93.07044	6.9
94.04182	17.8
94.06574	1.1
95.04949	3.8
95.06131	2.0
95.08606	96.3
95.66079	0.9
96.05620	1.5
96.08932	3.2
97.06409	6.0
97.06952	0.9
97.07668	1.7
98.04783	2.0
107.04947	1.9
109.06509	7.0
109.10155	8.9
110.06051	2.2
110.07183	5.2
111.05557	3.1
114.82448	1.0
119.04946	17.4
119.08572	1.7
120.04456	1.2
120.05254	1.1
121.06541	1.6
121.07587	1.5
122.03645	31.4
122.07285	3.1
123.03951	1.7
136.94968	0.9
137.02464	5.3
137.05971	94.1
137.08116	5.4
137.09586	7.1
137.10519	1.2
137.12299	1.5
137.13252	17.3
138.01741	1.9
138.05473	5.8
138.06485	8.0
138.09161	1.2
138.10220	3.4
138.13611	1.2
139.74692	0.8
148.02145	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.1325
Annotation	gamma-Terpinene
Peak:m/z	Relative Intensity
53.03942	1.2
55.05511	3.9
57.07072	9.4
65.03956	1.1
67.05502	20.4
69.07056	6.8
71.08623	1.1
71.50497	1.3
79.05493	9.1
81.04563	1.0
81.07055	100.0
82.07379	3.5
91.05468	5.0
93.07038	5.1
94.04180	1.5
94.07381	0.6
95.04976	0.7
95.08603	99.0
96.04488	0.8
96.05602	1.0
96.08938	5.2
97.06395	1.7
97.07701	0.6
109.06518	0.8
109.10152	7.5
110.07162	1.3
111.05539	0.7
119.04958	1.3
122.03650	3.6
122.07264	0.8
137.02475	1.0
137.05962	11.2
137.08244	1.5
137.09618	1.7
137.13248	18.6
138.05476	2.7
138.06516	1.5
138.13593	1.3
145.25256	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.1325
Annotation	gamma-Terpinene
Peak:m/z	Relative Intensity
50.61803	0.8
52.41249	0.8
53.03933	1.4
55.05507	4.1
57.07077	10.6
67.05505	18.5
69.06788	0.7
69.07070	8.8
70.74964	2.0
79.05495	5.7
81.07054	85.7
82.07375	2.9
88.10827	0.8
93.07058	5.5
95.08604	100.0
96.08925	3.6
97.76241	0.9
100.76980	0.8
107.08646	1.1
109.10154	7.0
137.12343	0.8
137.13260	19.5
137.14319	0.9
138.13560	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0961
Annotation	4-Propylphenol
Peak:m/z	Relative Intensity
53.03935	2.4
55.01863	0.6
55.05505	2.7
57.07082	2.8
62.11960	0.6
65.03917	2.2
66.04726	3.2
66.05035	0.5
67.05504	23.1
69.03428	1.3
69.04560	0.8
69.07061	2.5
70.73828	1.2
70.74168	0.8
71.74086	0.6
77.03934	0.7
79.05498	7.7
81.03423	0.7
81.04552	1.2
81.07059	37.3
82.07372	0.9
91.05482	13.9
92.05820	0.7
93.07054	3.9
94.04189	25.4
94.07835	0.9
95.05013	3.2
95.06068	0.6
95.08609	34.5
96.08910	1.0
97.06407	1.3
103.05486	0.7
105.03372	0.9
107.04948	12.7
107.08595	1.3
109.06509	1.2
109.10155	29.9
110.07127	1.0
110.10480	1.0
111.51794	0.6
117.07008	1.6
119.04935	1.8
119.08585	11.4
121.06490	5.1
122.03650	46.2
122.07285	63.2
123.03992	1.2
123.07610	1.3
135.04433	0.6
135.08070	2.6
137.05978	100.0
137.09612	98.4
137.13202	5.9
138.05414	1.0
138.06364	4.7
138.09953	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	137.1325
Annotation	gamma-Terpinene
Peak:m/z	Relative Intensity
55.05499	4.0
57.07076	10.5
65.36015	1.1
66.04713	2.1
67.05505	18.3
68.05827	1.1
69.07065	6.8
71.32801	1.8
77.30618	1.1
79.05491	8.3
81.07055	100.0
82.07381	3.7
91.05502	5.5
93.07035	5.3
94.04204	10.6
95.04944	1.4
95.08604	97.8
96.08936	4.9
97.06364	2.1
109.06509	1.4
109.10158	6.0
120.05573	1.0
122.03653	19.9
135.07980	0.9
137.02438	4.3
137.05968	47.4
137.13249	17.9
138.05453	2.7
138.06418	3.3
138.09190	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.1325
Annotation	gamma-Terpinene
Peak:m/z	Relative Intensity
55.05511	5.0
57.07077	12.1
66.82044	0.8
67.05504	19.6
69.07055	7.1
69.98697	3.8
69.99099	2.0
77.53279	1.0
79.05487	7.4
81.07055	87.2
82.07392	2.1
83.00742	0.9
93.07050	5.5
95.08605	100.0
95.76099	0.8
96.08935	4.1
109.10160	7.4
137.13254	16.4
137.14233	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.1325
Annotation	gamma-Terpinene
Peak:m/z	Relative Intensity
55.05504	5.3
57.07076	9.8
63.13025	0.7
65.03911	0.9
67.05172	1.3
67.05507	18.2
69.07069	6.8
69.59699	4.8
71.08620	1.4
79.05499	7.8
81.07058	100.0
82.07401	4.1
89.03482	0.7
93.07059	3.7
95.08607	93.4
96.08926	4.9
98.20766	1.6
101.55747	0.8
109.10133	5.4
134.72906	0.8
137.13257	18.3
138.13562	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0597
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
53.03938	0.8
55.01857	0.5
55.05499	0.8
57.07064	1.2
65.03928	1.1
66.04706	2.0
67.05508	3.8
69.03396	0.4
69.07053	0.6
71.04437	1.0
71.04781	0.6
75.87949	0.4
77.03919	0.6
79.05494	3.5
81.03403	0.5
81.04540	0.5
81.07053	13.1
84.62505	0.5
91.05472	5.4
93.07034	1.0
94.04182	22.5
95.04460	1.0
95.04986	1.0
95.08601	12.6
97.06378	1.2
98.04810	0.5
107.04930	1.6
109.06503	0.9
109.10149	1.1
110.07166	0.8
119.04923	1.2
122.03642	43.4
123.03972	1.9
125.18561	0.4
137.05971	100.0
137.09576	1.5
137.13234	1.5
138.05414	0.8
138.06337	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	137.0596
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
53.03940	0.6
55.81090	0.4
65.03932	0.5
66.04725	2.8
67.05495	1.6
70.11418	1.0
70.11811	0.8
71.81795	0.4
79.05486	3.8
81.07053	5.3
91.05472	2.5
94.04189	23.6
95.04459	0.5
95.04996	0.6
95.08611	4.1
105.03372	0.7
107.04930	1.0
109.06485	0.7
122.03648	46.4
123.03970	2.2
135.04376	0.5
137.05975	100.0
137.13239	1.0
137.57790	0.4
138.06317	6.1
146.40892	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0597
Annotation	m-Methylbenzoate
Peak:m/z	Relative Intensity
53.03944	0.8
55.01875	0.8
55.05499	1.3
57.07068	2.8
59.33019	0.6
65.03933	6.0
66.04710	1.4
67.05503	8.2
68.05036	0.9
69.04549	0.7
69.07065	2.3
69.28770	7.7
79.05498	5.0
79.49509	0.9
81.04537	2.1
81.07056	36.6
82.06550	1.0
91.05479	100.0
92.05814	4.3
93.07047	3.8
94.04189	12.1
95.04984	2.3
95.08605	35.6
96.05590	1.0
96.08919	1.0
97.06399	2.9
97.07655	1.1
98.20699	1.3
109.06525	5.7
109.10153	2.6
110.07194	3.6
111.05537	0.9
111.09157	0.8
112.87213	0.7
119.04942	40.2
119.08533	0.8
119.28871	0.8
120.05296	1.5
121.07620	0.8
122.03645	21.0
122.07268	1.7
123.03988	1.3
137.02432	2.4
137.05974	93.9
137.09613	4.0
137.13269	7.3
138.05405	1.0
138.06372	4.9
138.10173	1.3
145.46294	0.9
155.85147	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0596
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
53.03955	0.7
53.12724	0.4
55.01860	0.8
55.51910	0.4
57.07067	1.6
65.03935	2.1
66.04707	1.9
67.05502	3.9
69.07059	1.0
69.84335	2.7
72.04494	0.5
73.27736	0.5
73.80460	0.5
79.05485	4.0
81.04530	1.1
81.06576	0.9
81.07052	16.7
81.57753	0.4
82.06585	0.6
82.07377	0.8
91.05479	22.9
92.05817	1.2
93.07030	1.6
94.04185	23.4
95.04457	0.6
95.05025	1.0
95.08604	14.6
96.05634	0.7
96.08901	0.6
97.06370	1.5
107.04946	1.6
109.06522	2.5
109.10146	2.0
110.06041	0.7
110.07170	1.4
117.68555	0.5
119.04942	7.7
119.85790	0.6
122.03643	38.7
122.07268	1.4
123.04050	1.2
137.02452	1.7
137.05972	100.0
137.09535	2.6
137.13261	2.8
138.05467	1.2
138.06364	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	137.0597
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
53.03931	1.2
55.05497	1.0
57.07061	1.8
60.48155	0.5
65.03922	0.8
66.04716	3.2
67.05510	4.1
69.07059	1.4
69.42637	3.6
69.43045	0.8
74.34618	0.4
75.65510	0.4
77.03901	0.7
78.08832	0.4
79.05491	4.5
81.07054	18.9
84.26705	0.4
91.05481	3.9
93.07026	1.5
94.04180	27.3
95.04961	1.9
95.08601	17.1
96.08939	0.6
97.06384	0.8
98.21504	0.7
107.04955	1.1
109.06493	1.4
109.10121	1.5
110.07195	0.5
119.04957	0.9
122.03642	44.1
122.07272	0.6
123.03978	1.9
137.02431	1.4
137.05971	100.0
137.09612	1.2
137.13225	2.7
138.05391	0.7
138.06329	4.7
138.09088	0.7
159.32080	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0597
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
51.02384	0.7
55.01872	0.4
56.93469	0.4
57.07065	0.6
57.35715	0.4
65.03917	1.0
66.04714	2.8
67.05500	0.7
71.04066	0.8
79.05492	2.8
81.07059	5.9
89.94995	0.4
91.05482	2.0
94.04191	23.6
95.04481	0.6
95.05001	0.6
95.08595	5.3
104.49332	0.4
104.69705	0.4
105.03378	0.5
107.04948	1.4
122.03651	42.8
123.03980	1.9
137.05980	100.0
138.06320	5.0
141.80040	0.4
146.50937	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0597
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
53.03943	0.9
55.01864	0.5
55.05505	0.6
57.07065	0.8
60.16053	0.3
65.03931	0.7
66.04722	2.6
67.05509	4.2
69.03420	0.6
69.89834	1.6
79.05486	3.1
81.07055	9.4
91.05486	5.4
93.07035	1.4
94.04184	22.8
95.04503	0.9
95.04985	1.1
95.08604	8.3
97.06378	0.6
105.03415	0.5
105.99158	0.3
107.04971	2.6
109.06522	1.0
109.10161	3.5
110.07214	0.6
110.44672	0.3
115.94670	0.3
119.04956	0.8
119.08578	1.5
120.73908	0.3
121.06474	0.9
122.03645	41.6
122.07279	7.7
123.04000	2.0
135.04434	0.4
135.08136	0.3
137.05972	100.0
137.09599	12.1
137.13225	1.4
138.06319	4.5
138.09991	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0597
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
53.03930	1.1
55.01848	0.6
56.03461	0.3
57.07063	0.9
58.45547	0.4
62.02425	0.3
63.37243	0.4
65.03923	1.3
66.04720	2.4
67.05487	3.0
69.07048	0.7
70.06039	1.9
77.03920	0.5
79.05490	3.8
81.03403	0.5
81.06580	0.6
81.07052	11.3
89.29370	0.4
91.05475	9.3
92.05804	0.5
93.07022	1.2
94.04182	24.2
95.04464	0.7
95.04974	1.1
95.08603	9.7
97.06385	0.9
105.03372	0.5
107.04954	1.3
109.06512	1.3
109.09358	0.3
109.10155	0.7
119.04933	2.6
119.19512	0.4
122.03641	42.3
123.03963	1.6
137.02426	1.7
137.05968	100.0
137.09583	1.2
137.13235	2.0
138.05467	0.7
138.06342	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	136.0618
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44656	0.1
51.99487	0.1
56.96547	0.4
65.03925	0.2
67.02985	0.2
70.45118	0.5
70.82885	0.1
90.01559	0.3
91.05476	4.4
92.02541	0.2
94.04047	2.3
96.83802	0.1
99.02071	0.5
109.05112	0.3
109.06500	0.2
112.05060	0.2
113.01829	0.2
116.98662	0.1
119.01907	0.2
119.03551	5.3
119.04893	1.8
120.03858	0.2
131.01884	0.7
134.24567	0.2
136.06178	100.0
137.04570	4.5
137.05905	2.4
137.06602	1.5
147.16243	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	136.0618
Annotation	Adenine
Peak:m/z	Relative Intensity
55.03007	0.1
56.96547	0.3
59.87785	0.1
67.02972	0.2
67.98812	0.1
69.92253	0.4
70.41276	0.1
81.07007	0.1
82.17724	0.1
86.73036	0.1
91.05482	1.0
92.02482	0.3
94.04043	1.9
109.05119	0.3
112.05096	0.2
119.03545	4.4
119.04924	0.3
136.06178	100.0
137.04601	4.3
137.05725	0.6
137.06499	2.1
138.04926	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	137.0597
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
53.03951	1.1
55.01873	0.8
55.05507	0.6
57.07061	1.0
65.03932	1.1
66.04720	3.0
66.32121	0.5
67.05502	3.2
69.07062	1.2
69.54102	1.7
69.54531	2.1
79.05484	4.6
81.04535	0.9
81.07057	12.2
81.87196	0.5
91.05482	8.0
92.05781	0.6
92.48734	0.5
93.07032	1.5
94.04185	22.2
95.04971	1.5
95.08605	11.3
97.06364	0.6
107.04961	1.2
109.06504	1.3
109.10209	1.2
110.07155	1.4
119.04926	2.0
122.03646	42.8
123.03998	1.5
137.02443	1.3
137.05974	100.0
137.13248	2.2
138.05450	0.8
138.06367	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	135.1169
Annotation	o-Cymol
Peak:m/z	Relative Intensity
52.40541	0.8
53.03935	3.9
55.05513	11.7
57.07050	1.3
63.31002	0.8
65.03911	1.3
66.18542	0.8
67.05490	2.4
69.07066	4.1
69.88770	5.2
72.63281	0.8
79.05495	15.2
81.07047	3.5
91.05482	30.7
91.28725	0.7
93.07043	66.1
94.07379	2.4
95.04963	7.3
97.27583	0.8
98.20713	0.8
105.06380	1.4
105.07029	15.6
106.07839	1.3
107.04927	1.0
107.08594	100.0
108.08923	4.3
109.06509	7.1
117.07066	1.1
119.06081	1.1
119.08585	8.0
120.09335	4.1
133.10132	1.4
135.11688	71.3
136.02153	1.3
136.12022	3.1
137.09567	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.0
55.05513	5.8
57.07070	2.5
62.68557	0.5
62.84927	0.5
65.03931	1.6
67.05500	1.1
69.07074	2.3
71.26329	1.5
74.07983	0.6
77.03938	0.6
79.05495	13.9
81.07062	2.2
83.28554	0.6
90.54248	0.6
91.05477	31.1
92.05810	1.4
93.07042	46.4
94.07324	1.1
95.04974	5.0
95.08620	0.7
104.06243	0.9
105.04517	0.6
105.07026	18.8
106.07870	1.0
106.41645	0.5
107.04961	1.0
107.08591	100.0
108.08906	4.0
109.06501	8.0
117.07043	1.8
119.06062	2.2
119.08578	15.3
120.09392	4.7
133.10139	1.0
135.11687	44.6
136.02138	2.8
136.06152	0.6
136.12038	2.0
137.09615	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1168
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.4
55.05509	15.8
63.18400	1.1
66.13286	1.2
67.05493	3.6
69.07050	7.4
71.35709	2.6
71.94267	1.3
79.05491	28.8
81.07072	4.0
91.04905	1.7
91.05476	40.5
93.07038	76.5
94.07340	1.8
95.04955	10.8
105.04532	1.7
105.07036	17.3
107.04963	2.6
107.08590	100.0
108.08933	3.0
109.06549	7.6
119.06042	2.5
119.08572	14.0
119.88161	1.6
120.09383	3.2
135.04449	2.5
135.11688	38.4
136.02115	4.8
136.06183	2.2
140.17088	1.3
146.27069	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1168
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03941	3.1
55.05507	8.0
57.07085	1.5
60.88329	0.6
62.70533	0.8
65.03947	1.4
67.05518	1.7
69.07063	2.7
69.51957	5.5
72.36543	0.6
75.73032	0.7
79.05487	12.8
81.07039	1.8
91.05480	31.5
93.07036	51.3
94.07372	1.4
95.04961	7.1
103.05495	0.9
105.07022	16.7
107.04961	1.4
107.08589	100.0
108.08922	3.3
109.06478	6.0
117.07020	1.7
119.06061	2.3
119.08566	14.3
120.09373	4.4
125.45129	0.8
133.10141	0.9
135.04385	1.7
135.11685	42.2
136.02162	4.7
136.06190	1.4
136.12009	1.4
137.09596	1.2
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
53.03954	6.0
55.05507	13.1
57.07065	2.2
67.05501	2.9
69.07048	4.0
69.72232	7.4
69.72630	3.2
69.96625	1.2
77.03918	1.7
79.05488	21.4
81.07050	3.1
90.31837	1.2
91.05476	41.8
92.05785	1.3
93.07040	63.8
94.07368	1.3
95.04954	9.0
105.04508	1.8
105.07030	18.8
107.04945	1.7
107.08592	100.0
108.08929	5.0
109.06468	7.0
111.22332	1.3
114.76057	1.3
115.29498	1.1
117.07021	1.2
119.06049	2.9
119.08574	12.2
120.09335	4.2
133.10161	1.7
135.11684	54.6
136.02209	3.5
136.06203	2.2
136.12045	2.4
152.87413	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1169
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03934	5.1
55.05512	13.6
57.07068	2.4
65.03935	1.6
67.05489	3.9
68.04993	1.1
69.07045	4.1
71.03772	2.7
79.05491	37.8
80.05847	0.9
81.07041	4.2
83.60056	1.0
89.03928	5.3
91.04895	1.6
91.05477	39.4
93.07040	99.4
94.07360	2.8
95.04974	9.6
95.08643	1.4
100.49952	1.3
103.05408	1.1
105.04492	1.7
105.07018	15.1
107.04945	2.6
107.08590	100.0
108.08919	3.5
109.06531	7.8
109.07624	1.6
117.03358	2.0
117.07011	1.4
119.06101	2.1
119.08570	10.0
120.09312	2.7
125.93652	1.1
126.34541	1.2
135.04434	8.5
135.08063	2.6
135.11688	43.9
136.02171	5.1
136.06158	2.2
136.08681	1.4
136.12009	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1169
Annotation	o-Cymol
Peak:m/z	Relative Intensity
50.93299	0.6
53.03952	3.3
55.05507	8.6
57.07083	0.8
60.37701	0.5
63.14973	0.6
65.03934	1.1
67.05503	2.5
68.05016	0.8
69.07080	4.5
70.73320	1.8
79.05496	18.5
80.05827	0.8
81.07063	3.8
89.03931	0.7
91.05479	22.6
92.05824	0.6
92.09399	0.5
92.26706	0.5
93.07044	60.8
93.98656	0.5
94.07352	1.4
94.07858	1.3
94.71111	0.6
95.04974	6.8
95.08629	0.6
96.06879	0.6
102.68748	0.6
105.04524	1.3
105.07030	9.7
107.04954	1.3
107.08595	100.0
108.08905	3.5
109.06514	4.6
117.07058	1.0
119.06066	2.0
119.08591	5.3
120.09337	1.9
123.57522	0.5
127.50153	0.5
135.04439	3.2
135.05359	0.7
135.08029	0.9
135.11694	28.4
136.02161	5.1
136.06126	2.5
136.08672	1.2
136.12021	1.0
151.11104	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1168
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.1
53.28510	0.6
55.05510	5.4
57.07071	1.5
67.05499	2.1
69.07058	5.6
71.30143	1.4
78.12047	0.6
79.05489	20.2
80.05840	0.6
81.07066	1.8
87.35532	0.6
90.70773	0.5
91.05473	17.2
93.07041	38.2
95.04977	2.8
105.07024	9.3
106.04150	0.6
107.08593	100.0
108.08928	2.5
109.06537	4.4
115.84181	0.6
119.06065	1.9
119.08573	1.2
135.11691	27.2
136.11996	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1169
Annotation	o-Cymol
Peak:m/z	Relative Intensity
51.91028	0.5
53.03949	1.7
55.05506	5.7
55.53275	0.6
57.07084	1.2
60.52327	0.6
67.05523	2.8
69.07069	7.2
70.77179	0.5
71.29966	1.2
71.30320	0.6
75.70051	0.5
79.05490	21.9
80.05818	0.7
81.07060	2.6
89.07999	0.5
91.05479	16.2
93.07043	32.3
94.07347	0.7
95.04971	2.3
99.77519	0.6
105.07033	9.1
107.08591	100.0
108.08923	2.7
109.06525	5.2
119.06047	1.7
119.08604	0.8
135.11684	29.9
136.02138	0.7
136.11977	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1169
Annotation	o-Cymol
Peak:m/z	Relative Intensity
52.16732	0.7
53.03937	2.9
55.01887	0.8
55.05517	8.5
57.07070	2.4
60.02519	0.6
65.03944	1.9
67.05508	1.3
67.74220	0.7
69.07058	3.1
70.84691	1.9
71.28761	0.6
76.94431	0.8
79.05489	15.1
80.05830	0.7
81.07053	3.9
89.03886	0.7
91.05483	32.3
92.05785	1.4
93.07043	53.6
94.07346	1.6
94.07867	1.0
95.04979	5.7
105.04496	0.9
105.07027	17.3
106.04144	0.7
107.04952	1.0
107.08592	100.0
108.08924	3.7
109.06528	8.3
109.77398	0.7
117.03371	1.0
117.07030	1.5
119.06052	3.0
119.08582	10.0
120.09354	3.0
123.56472	0.7
133.10118	1.0
135.04413	1.7
135.11688	46.4
136.02159	3.1
136.06155	1.1
136.11998	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.0
55.05511	6.5
62.66977	1.3
67.05512	1.5
69.07061	2.8
71.30093	2.6
73.15519	1.0
73.42065	1.0
79.05490	14.2
81.07057	2.8
83.50431	1.1
91.05479	31.7
93.07044	54.0
95.04968	5.2
105.04493	2.1
105.07036	17.8
107.08595	100.0
108.08919	3.3
109.06515	6.6
111.33468	1.3
115.02799	1.1
117.07054	1.4
119.06067	2.2
119.08582	8.0
120.09372	3.1
126.28432	1.2
135.11693	47.8
136.12051	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1168
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.0
55.05508	7.7
65.03934	1.6
67.05487	4.6
68.76180	1.1
69.07054	4.0
69.51186	1.1
70.80191	1.9
73.43120	1.0
78.70907	1.0
79.05061	1.6
79.05489	20.6
81.07034	4.6
82.13937	1.1
91.05478	29.9
93.07041	73.2
94.07370	2.1
95.04971	8.3
101.40896	1.1
105.07029	13.0
107.04929	1.5
107.08592	100.0
108.08943	3.0
109.06492	5.8
117.07043	1.6
119.06033	2.1
119.08578	9.6
120.09354	1.8
135.11687	37.9
136.02180	3.2
136.06206	1.3
136.12067	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1168
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03954	0.7
53.62379	0.6
54.25911	0.7
55.05503	2.5
60.71975	0.6
67.05499	1.7
67.06677	0.7
69.07055	1.9
70.25003	1.0
70.25396	2.1
70.78069	0.7
78.01818	0.7
79.05491	9.7
81.07037	2.4
91.05480	9.9
93.07043	33.8
95.04958	1.5
105.07032	6.7
107.08591	100.0
108.08930	3.8
109.06496	3.8
119.06059	1.0
119.08542	0.9
122.20184	0.7
135.11676	15.9
136.02191	1.2
136.12045	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1168
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.2
55.05303	0.8
55.05515	8.4
57.07069	1.7
65.03918	1.5
67.05496	2.6
69.07053	3.0
71.44186	1.7
79.05488	20.2
81.07042	2.5
83.37701	1.0
91.05479	26.5
93.07039	62.4
94.07366	1.6
95.04953	7.8
105.04489	1.5
105.07027	11.4
107.08589	100.0
108.08923	3.5
109.06517	6.6
117.07026	1.1
119.06058	2.2
119.08574	7.3
120.09380	1.5
133.10132	1.2
135.11691	34.3
136.02135	1.4
136.12056	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1168
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.4
55.05500	5.8
57.01991	0.9
57.07096	0.9
67.05490	2.5
69.07059	5.7
71.44441	2.1
72.33529	1.1
78.14940	1.0
79.05063	1.3
79.05492	22.0
81.07044	2.6
82.82963	0.9
91.05480	17.7
93.07040	41.4
95.04945	3.6
105.07037	9.1
107.08591	100.0
108.08933	3.5
109.06512	6.5
119.06071	1.6
119.08570	2.2
135.11691	30.0
136.02130	2.3
136.12033	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.044
Annotation	o-Phthalaldehyde
Peak:m/z	Relative Intensity
51.02397	1.2
53.03934	4.1
55.01855	1.1
55.05497	2.8
60.04537	2.1
63.02377	2.1
63.16171	1.0
67.05499	2.5
68.05029	2.8
68.77233	1.1
69.07047	2.4
71.00035	1.2
71.00410	3.1
75.05600	3.1
76.03986	1.7
77.03968	1.7
79.05065	1.8
79.05492	25.7
80.04995	1.5
81.04556	1.1
81.07034	1.3
87.05600	11.1
89.03913	82.2
90.04270	1.6
90.18561	1.2
91.05485	15.9
92.05789	1.6
93.07043	20.3
95.04977	13.3
95.06070	3.0
96.06836	2.7
105.04499	1.8
105.07013	7.1
107.04948	42.2
107.08595	37.1
108.04446	1.2
109.01132	2.1
109.06519	2.6
109.07641	4.1
110.84859	1.0
117.03371	34.8
118.03746	1.4
119.03549	1.3
119.06030	1.1
119.08579	2.0
135.04414	100.0
135.06529	3.4
135.08107	7.9
135.09058	2.1
135.11696	14.7
136.02161	38.2
136.03807	2.0
136.04861	3.2
136.06178	22.1
136.07254	1.7
136.07736	1.3
136.08618	5.4
154.29596	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1169
Annotation	o-Cymol
Peak:m/z	Relative Intensity
51.02399	0.7
53.03954	3.5
55.05517	6.8
57.07063	1.7
65.03957	1.4
67.05501	0.9
69.07076	3.3
69.42173	0.7
69.92847	4.4
73.71429	0.7
77.03928	0.8
79.05493	12.8
81.07061	1.8
90.72401	0.7
91.05483	28.2
92.05773	1.2
93.07047	53.7
94.07370	1.8
94.07890	0.8
95.04963	5.0
98.21577	0.8
105.07034	16.6
107.08596	100.0
108.08934	4.0
109.06504	6.7
117.07034	0.8
119.06064	1.7
119.08579	9.6
120.09348	3.9
133.10155	0.9
135.04391	0.7
135.11696	36.2
136.02155	2.5
136.06145	1.0
136.12051	1.7
137.09596	1.1
151.77220	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.6
55.05506	2.7
59.95728	0.8
67.05512	2.5
69.07069	2.4
71.21949	1.3
71.22291	1.1
79.05497	12.2
81.07052	3.6
81.42046	0.8
91.05475	12.8
93.07040	37.5
93.07629	1.8
95.04961	2.4
105.07036	5.5
107.08595	100.0
108.08928	3.3
109.06497	4.6
119.08589	1.0
132.88724	0.7
135.11694	23.2
136.02129	1.1
147.02846	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	134.9965
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86349	3.6
55.01857	8.4
56.96566	47.0
57.03436	100.0
58.03766	16.7
58.99866	5.9
59.06116	8.9
60.04527	8.9
61.02920	5.1
65.85914	3.9
68.02656	5.4
68.05013	5.5
69.03419	13.3
69.88361	26.1
70.95700	4.8
72.06863	4.1
73.02919	28.3
73.14174	4.5
75.05595	12.1
76.03995	5.6
78.52991	3.8
79.05495	11.7
79.52831	7.7
81.03421	12.8
82.01462	5.4
85.02903	12.3
85.52825	6.9
85.53722	4.4
87.02752	12.5
87.05580	35.9
87.52572	10.9
88.02695	7.4
88.52756	16.6
88.53327	4.5
89.02543	8.4
91.05497	10.2
93.07040	9.5
93.51981	4.3
94.03572	6.9
94.53352	9.9
95.04980	6.7
95.06084	4.9
96.03271	11.4
96.53087	13.7
97.02879	4.7
98.03094	5.3
98.97601	20.3
100.02481	33.9
101.00863	8.8
101.02544	20.9
102.02237	21.1
102.52477	8.5
103.00600	14.1
103.02303	7.2
105.07091	5.3
106.01063	4.7
107.04974	16.2
107.08590	13.1
109.07597	8.1
110.52695	6.1
111.53043	17.6
112.01019	11.2
112.02809	18.9
112.52420	5.7
113.00892	5.2
116.98595	21.3
118.03490	23.9
119.01929	42.4
119.02736	6.5
119.03575	10.6
120.02003	40.7
120.03293	15.3
121.01614	86.4
121.03297	6.1
122.02103	4.9
123.03835	6.8
123.55224	4.1
124.02468	4.1
125.02493	4.5
128.54660	4.5
130.02034	4.4
130.55275	4.9
131.01900	85.4
132.01999	8.9
132.04291	4.7
132.54108	7.0
133.01645	18.7
134.99654	22.4
135.04388	14.8
135.07957	6.5
136.02139	63.8
136.08646	10.3
137.02924	7.6
138.03067	11.1
139.02660	10.2
142.03505	34.4
143.03644	62.4
144.03200	47.4
146.99606	5.4
148.01511	4.8
149.02974	22.9
153.00650	6.9
154.03520	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	134.0452
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	1.4
54.61277	0.7
55.01867	5.4
56.96553	3.6
57.03434	27.1
58.06588	2.9
58.99841	2.3
60.01382	0.8
61.02925	1.7
68.02620	2.1
69.01928	1.1
69.03422	9.3
70.06589	4.1
70.33524	2.6
70.99849	0.9
71.01344	1.2
71.04993	3.9
72.07740	1.4
72.08150	25.4
72.52937	1.1
73.02913	65.4
74.02448	5.3
74.03262	1.6
75.01888	1.1
76.11700	0.7
77.00914	5.9
77.01289	1.2
78.52955	5.5
79.02155	2.1
79.05490	1.3
80.52699	1.9
81.03419	4.5
82.01427	1.0
82.02660	1.0
82.99837	1.1
84.52943	2.4
85.02901	18.8
85.51884	0.9
85.53725	2.7
86.03680	1.6
86.52696	6.4
87.53460	1.7
88.02679	32.8
88.03971	3.4
88.07639	4.4
88.52771	3.5
89.00910	0.8
89.02551	2.2
90.09187	21.5
90.52952	1.6
91.05464	1.2
92.52706	2.2
93.01899	10.1
93.07043	1.9
93.51958	1.6
93.53475	6.0
94.03526	1.1
94.54240	0.9
95.01925	2.8
95.53216	2.5
97.02828	1.1
97.03206	3.0
97.29938	0.7
97.52052	0.9
98.06055	1.2
98.52682	2.6
99.04421	1.1
99.53475	6.8
100.02468	16.7
100.03481	1.2
100.52428	1.2
100.54287	0.8
101.00872	12.2
101.02577	2.9
102.00997	1.0
102.02400	24.0
102.52474	5.4
103.02370	1.8
104.52684	2.5
105.00363	2.5
107.04981	1.7
107.08578	3.4
107.53181	1.7
109.02874	2.1
111.02923	15.5
111.04252	0.9
111.52966	1.6
112.02768	1.1
113.00874	2.4
113.53206	5.9
114.03298	1.1
115.02428	2.5
118.01139	1.9
118.03513	18.1
119.01913	80.6
119.03658	2.9
120.02008	9.0
120.03365	4.5
121.01654	4.4
121.03550	1.0
122.53709	9.3
123.01422	0.9
123.03999	1.5
123.53606	0.9
124.02428	9.4
128.01932	1.7
129.03955	0.9
131.01903	19.5
131.54245	2.1
132.01994	2.2
133.01614	1.6
133.03459	3.1
134.04514	1.5
134.05975	1.2
134.11757	77.7
134.99699	1.3
135.04414	1.3
135.11661	0.9
136.02225	1.4
137.02943	25.7
138.03046	3.1
139.02605	1.4
141.02707	3.5
141.05052	1.4
142.03491	100.0
143.01979	1.9
143.03606	15.0
144.03223	6.6
145.03464	4.0
146.02943	1.1
147.01341	2.3
148.08011	0.8
149.02979	7.0
154.03496	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	133.1012
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.1
55.05505	2.6
57.69291	0.5
65.32627	0.5
69.94900	2.8
72.73760	0.5
75.71552	0.5
79.05494	4.9
91.05483	18.1
93.07030	4.5
95.04967	1.4
103.05464	2.5
105.07029	58.9
106.07354	2.3
107.08595	0.8
115.05452	3.5
116.06219	0.6
117.07014	4.8
118.07805	6.7
131.08551	5.4
133.06512	3.7
133.10129	100.0
134.10449	4.5
141.03708	0.5
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	Tetralin
Peak:m/z	Relative Intensity
53.03949	0.8
55.05497	0.7
61.16805	0.3
70.77869	0.9
79.05497	3.7
91.05476	6.4
92.05796	0.4
93.07038	9.3
94.07352	0.4
95.04975	1.0
103.05451	2.3
105.07023	100.0
106.07361	4.9
107.08582	0.3
115.05452	1.7
116.06225	0.4
117.07030	2.3
118.04079	0.3
118.07805	1.8
131.08559	2.2
133.06526	2.7
133.10120	50.0
134.10469	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	133.1012
Annotation	Tetralin
Peak:m/z	Relative Intensity
50.03036	0.2
53.03940	0.6
68.41956	0.2
77.03922	0.3
79.05490	2.6
85.27616	0.2
88.02213	0.2
91.05479	3.1
93.07040	9.2
93.07630	0.4
94.07378	0.4
95.04975	0.7
98.20701	0.5
103.05441	1.6
105.07026	100.0
106.07357	4.4
115.05475	0.3
117.07007	0.8
118.07780	0.2
131.08653	0.3
133.10124	26.0
134.10469	1.7
151.51212	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1012
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.7
55.01860	0.3
55.05505	0.7
65.03925	0.3
69.87832	1.5
71.67302	0.3
77.03909	0.5
79.05487	3.3
83.34172	0.2
88.02194	0.3
91.05470	6.5
92.05794	0.6
93.07039	6.5
95.04968	1.1
103.05453	2.3
105.07021	100.0
106.07355	4.6
107.08550	0.2
110.01775	0.2
111.02025	0.2
115.05442	1.2
116.06219	0.3
117.06998	1.6
118.07774	1.0
123.07909	0.2
131.08563	1.4
133.02805	0.6
133.06508	2.4
133.10118	24.2
134.06000	0.5
134.06917	0.4
134.10460	1.5
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	Tetralin
Peak:m/z	Relative Intensity
53.03938	1.7
53.18479	0.8
53.38187	0.8
55.05515	3.8
67.05505	1.3
68.91063	0.7
69.83976	4.6
78.96878	0.8
79.05473	6.1
80.94610	0.8
91.05479	32.2
92.05817	1.6
93.07049	5.7
103.05469	2.3
105.07027	100.0
106.07351	3.9
115.05439	2.2
117.07007	3.9
118.07814	2.2
131.08565	6.2
133.06485	17.7
133.10124	60.4
134.05975	2.1
134.10474	3.6
151.04961	0.8
154.00214	0.8
154.75523	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	134.045
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.9
55.01863	4.4
55.60474	1.5
56.96563	12.0
57.03436	78.3
58.99868	4.9
61.02909	1.7
67.05494	2.4
68.02650	2.1
69.03417	12.7
70.99867	1.8
71.03018	2.0
71.04992	2.1
71.18578	2.8
72.52953	4.2
73.02914	24.1
75.01914	2.7
75.05563	1.8
77.00892	6.3
78.52956	8.2
79.02189	2.4
79.51920	3.1
80.52719	3.2
81.01901	3.4
81.03423	8.8
82.01450	6.5
84.52943	2.6
85.02914	9.9
85.53732	4.1
86.52699	34.0
87.02738	4.2
87.05583	3.1
87.52573	3.9
87.53471	5.8
88.02676	22.9
88.51683	3.1
88.52752	2.8
89.00850	2.3
91.05461	2.4
92.52682	2.8
93.01895	4.9
93.07050	3.1
93.53487	11.4
94.03523	2.5
95.53206	21.3
96.03271	4.6
97.03244	2.7
98.03502	3.0
98.52665	2.3
98.97571	6.7
99.53479	9.6
100.02475	39.7
100.52462	1.8
101.00872	24.9
101.02544	6.6
101.52297	2.4
101.53147	2.8
102.00963	2.0
102.02419	18.3
102.52480	2.3
103.00656	2.2
103.02354	2.7
105.00375	2.8
106.07319	2.5
107.08583	3.6
107.53187	3.5
108.53976	3.3
109.02888	2.9
111.02174	2.5
111.02928	28.4
111.53529	14.4
113.00858	3.1
113.53196	8.5
115.02451	4.7
116.98637	5.9
118.03509	25.1
119.01919	91.9
120.01955	11.0
120.03392	8.8
120.54023	9.8
121.01594	14.1
121.02805	9.6
122.53700	11.2
123.53621	1.9
124.02444	10.6
129.03912	2.1
131.01907	36.8
131.54243	6.2
132.02032	3.8
133.03465	7.2
134.99660	4.2
135.04359	2.0
137.02960	17.7
137.49997	6.5
137.98358	3.8
138.00044	4.2
139.02713	1.9
142.03493	100.0
143.01903	2.6
143.03607	14.4
144.03250	5.4
145.03442	5.8
147.01389	2.4
147.05057	4.0
149.02937	8.7
154.03470	12.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1012
Annotation	Tetralin
Peak:m/z	Relative Intensity
53.03937	0.3
70.41741	0.5
74.81538	0.3
75.87695	0.2
77.03912	0.3
78.84969	0.2
79.05484	2.4
91.05473	2.5
93.07040	9.3
94.07375	0.4
95.04977	1.0
98.21450	0.2
103.05453	1.6
105.07026	100.0
106.07356	4.7
117.07028	1.0
131.08673	0.2
133.06502	0.4
133.10126	25.1
134.10458	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1013
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.7
55.05509	1.5
56.58987	0.3
64.80817	0.3
66.02330	0.3
70.56544	1.2
70.99969	0.3
77.03876	0.3
79.05495	4.0
91.05479	11.5
92.05789	0.4
93.07048	8.1
95.04970	1.3
97.92422	0.3
103.05481	2.0
105.07029	100.0
106.07352	4.6
115.05419	1.6
117.07029	2.1
118.07781	1.8
131.08569	4.4
133.06485	3.8
133.07492	0.6
133.10129	38.5
134.06938	0.4
134.10464	2.1
142.16064	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1012
Annotation	Tetralin
Peak:m/z	Relative Intensity
53.03940	0.7
55.05505	1.4
70.04732	1.3
77.03880	0.3
79.05490	3.9
91.05476	11.1
92.05790	0.3
93.07034	7.2
95.04961	1.0
96.50172	0.3
103.05467	2.2
105.07027	100.0
106.07352	4.8
115.05452	1.2
117.07015	1.8
118.07816	1.7
131.08574	3.8
132.08910	0.4
133.06535	1.8
133.10127	38.4
134.10471	2.4
150.37320	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1013
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
51.02143	0.4
53.03941	1.1
54.08583	0.4
55.05514	3.2
65.03927	0.7
65.05739	0.4
66.24961	0.4
67.05495	0.8
69.77841	2.4
69.78233	0.8
79.05492	4.9
91.05482	21.4
92.05819	0.9
93.07043	6.6
95.04975	1.5
98.20837	0.9
103.05451	2.2
105.07030	79.9
106.07375	3.3
107.08588	0.4
112.74126	0.4
115.05466	3.9
116.06243	0.8
117.07034	4.8
118.07790	4.9
131.08585	5.7
133.06554	2.8
133.10130	100.0
134.10475	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	133.0649
Annotation	2-Indanone
Peak:m/z	Relative Intensity
53.03949	1.1
55.01871	2.9
56.24643	0.3
65.68635	0.3
68.70721	0.3
71.04972	0.5
71.05288	0.6
77.03931	0.5
78.87353	0.3
79.05494	9.9
79.05951	0.5
91.05486	2.2
95.04984	2.4
103.05469	8.2
105.07029	85.1
106.07356	2.3
107.04969	1.1
111.24008	0.3
115.05454	4.7
131.04926	1.8
132.05750	0.5
133.06490	100.0
133.10094	3.2
134.06821	4.1
139.72034	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0649
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.0
55.01880	3.1
70.12621	0.5
70.13009	1.3
71.70891	0.3
79.05494	8.6
79.05959	0.4
79.83650	0.3
83.99074	0.3
91.05472	1.8
93.07035	0.4
95.04973	2.7
103.05464	7.3
104.05788	0.4
105.07030	79.8
106.07349	4.3
107.04942	0.9
115.05458	3.1
120.08214	0.2
131.04889	1.7
132.05754	0.3
133.06491	100.0
133.10068	1.8
134.06825	6.1
134.07858	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0649
Annotation	2-Indanone
Peak:m/z	Relative Intensity
51.02366	0.3
51.40015	0.2
53.03947	0.8
55.01876	2.8
60.39197	0.2
70.89145	0.5
70.89481	0.3
77.03931	0.4
79.05496	8.6
80.05820	0.4
80.72344	0.3
89.23359	0.3
91.05458	1.5
93.07024	0.3
95.04955	2.1
103.05468	7.4
103.64040	0.3
105.07030	78.5
106.07359	3.2
107.04948	0.6
115.05458	3.2
122.12782	0.2
131.04938	1.4
132.05733	0.5
133.06491	100.0
133.10025	1.2
134.06827	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	132.0808
Annotation	1,2-Dihydroisoquinoline
Peak:m/z	Relative Intensity
53.03927	1.8
55.01867	2.8
55.05502	0.9
56.78300	0.7
57.03419	2.7
65.03943	7.0
67.05495	1.6
68.05025	0.7
69.86162	1.8
69.86565	3.9
79.05491	9.5
86.09702	1.1
91.05478	59.3
92.05808	3.0
93.07023	3.0
95.04971	2.2
98.20699	0.8
103.05459	3.3
104.05768	1.4
105.07024	100.0
107.04976	1.4
109.06509	14.6
110.06902	0.7
115.05481	3.8
117.05757	6.9
117.07010	1.5
118.07818	2.0
119.06091	5.6
124.05218	0.8
131.04936	1.3
131.08548	3.2
132.06528	1.7
132.08086	42.1
133.06487	82.8
133.10118	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	133.0649
Annotation	2-Indanone
Peak:m/z	Relative Intensity
53.03941	1.0
55.01857	1.6
55.05512	2.7
58.05339	0.6
59.06121	0.3
65.03928	0.4
67.05515	0.5
68.48561	0.4
71.35817	0.3
71.54546	0.6
74.06060	0.3
75.05589	0.5
77.03922	0.6
79.05488	8.9
80.05803	0.4
85.04056	0.6
87.05574	0.4
90.04685	1.2
91.05476	19.7
93.07038	4.2
95.05003	2.1
103.05460	6.5
105.07025	100.0
106.07348	4.4
107.08595	0.5
115.05437	3.4
117.07018	1.9
117.93915	0.4
118.04145	6.3
118.07814	2.4
131.04939	0.5
131.08568	5.6
131.34259	0.4
132.08885	0.5
133.06487	54.9
133.10121	33.0
134.06841	2.9
134.10478	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0648
Annotation	2-Indanone
Peak:m/z	Relative Intensity
51.02365	0.4
53.03939	1.9
55.01867	1.6
55.05502	1.0
56.05032	0.3
57.03442	0.3
57.04553	0.5
58.05342	2.0
58.06595	0.3
59.06104	0.8
60.04515	0.2
65.03933	0.3
67.05499	0.3
69.03415	0.4
69.77126	1.3
70.06596	0.4
71.04989	1.2
72.04488	0.2
73.04015	0.4
74.02422	0.7
74.06075	1.5
75.05595	1.7
75.81242	0.2
76.03986	0.3
77.03911	0.3
79.05490	8.8
85.04035	2.1
86.04803	0.4
86.06068	0.5
87.04465	0.3
87.05578	1.2
88.02218	0.5
88.07627	0.8
90.95068	0.3
91.05484	8.7
92.05785	0.4
92.07108	0.3
93.07040	4.1
95.04967	2.3
96.75394	0.2
97.02898	0.3
98.06077	0.3
103.05459	6.4
105.03416	0.6
105.07024	100.0
106.06556	0.8
106.07359	3.0
107.04954	0.9
112.02166	0.3
115.05495	2.9
116.07084	0.6
117.07000	1.3
118.04140	0.3
118.07807	1.2
123.07946	0.4
131.04955	0.9
131.08557	2.1
132.05663	0.3
133.02832	0.9
133.06488	58.0
133.10132	19.0
134.05978	1.2
134.06895	2.3
134.10458	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0649
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.3
55.01873	3.3
65.03957	0.4
71.42564	0.4
71.42892	0.5
79.05495	10.9
88.02197	0.4
90.22478	0.3
91.05483	3.0
92.05814	0.5
93.07059	0.8
95.04971	2.2
103.05468	8.4
105.07032	98.8
106.07352	3.7
107.04939	0.8
107.73078	0.4
115.05454	4.3
117.07014	0.5
129.70163	0.3
131.04927	1.8
131.08598	0.6
132.05730	0.4
132.90504	1.3
133.06493	100.0
133.10118	6.4
134.05957	0.7
134.06833	3.9
136.12071	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	132.0809
Annotation	1,2-Dihydroisoquinoline
Peak:m/z	Relative Intensity
53.03942	1.0
55.05510	2.0
57.03394	1.3
58.56702	1.3
62.92142	1.1
65.03946	10.7
65.79585	1.2
67.05500	3.1
77.69653	1.0
79.05485	4.4
86.09685	1.1
91.05486	100.0
92.05807	4.6
93.07046	4.0
95.04963	1.1
103.05489	2.4
103.60249	1.1
104.05759	1.9
105.07037	69.7
105.75380	1.3
109.06527	28.9
115.05479	2.4
117.05780	9.8
117.07043	1.4
118.07790	2.0
119.06055	9.6
119.38627	1.0
131.08583	4.9
132.08093	66.9
133.06496	7.3
133.08434	4.0
133.10136	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	132.0808
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.2
55.01868	1.1
55.05508	1.6
56.05022	0.9
56.96552	0.8
57.03435	3.0
60.04536	0.7
65.03932	4.1
67.05505	1.3
68.05042	0.6
69.03449	0.6
69.47157	0.9
69.47568	5.5
70.06590	0.9
79.05497	5.9
86.06069	1.4
86.09689	1.2
88.02171	0.8
89.68356	0.6
91.05480	49.1
92.05808	2.1
93.07022	4.2
95.04959	2.2
103.05478	4.9
104.05788	2.8
105.03410	1.0
105.07028	100.0
107.85820	0.7
109.06516	11.7
114.05484	0.9
115.05470	2.6
116.06287	0.8
117.05774	3.8
117.07025	3.3
118.07774	2.5
119.06058	4.8
121.16735	0.5
123.40264	0.7
131.08554	3.5
132.04465	1.7
132.05659	0.7
132.06636	3.9
132.08087	29.1
132.08841	1.2
133.02841	2.3
133.06491	43.2
133.08539	1.7
133.10127	33.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	132.0808
Annotation	1,2-Dihydroisoquinoline
Peak:m/z	Relative Intensity
53.03945	1.1
55.01867	1.2
55.05521	1.4
55.40123	0.6
57.03448	1.8
65.03942	3.5
67.05504	1.3
68.96698	0.6
69.03424	0.8
69.88212	4.0
71.05003	0.8
72.04514	1.0
79.05489	6.2
82.36977	0.6
86.06082	0.8
86.09708	1.9
88.02212	1.4
88.35612	0.7
91.05478	40.5
92.05804	1.3
93.07043	6.5
95.04967	1.5
103.05482	4.0
104.05814	1.3
105.07027	100.0
106.81274	0.7
109.06517	11.3
113.53266	0.6
114.05485	0.9
115.05446	2.5
115.65585	0.7
117.05762	3.5
117.07029	2.4
118.07780	1.2
119.06065	2.5
122.77068	0.6
123.07957	0.7
131.08588	2.4
132.06593	3.3
132.08081	26.7
132.08846	1.1
132.90538	0.9
133.02820	0.6
133.06491	36.2
133.08507	1.3
133.10127	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	132.0808
Annotation	6-Methyl indole
Peak:m/z	Relative Intensity
53.03925	1.6
53.59321	1.4
53.92932	1.3
55.01838	1.5
55.68024	1.3
57.03442	2.1
65.03941	10.2
67.05475	2.2
69.28008	15.9
75.75913	1.2
79.05478	3.9
91.05479	100.0
92.05815	2.9
93.07030	2.3
95.04974	2.3
95.49409	1.4
105.07032	58.6
106.00648	1.3
109.06511	34.4
110.06818	2.6
115.05441	3.1
117.05766	9.3
119.06052	7.8
125.05671	1.3
131.08557	2.8
132.06566	2.6
132.08087	83.2
133.06482	9.6
133.08434	3.8
133.10120	26.3
151.89682	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	132.081
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.9
55.01867	1.2
55.05494	1.1
57.03428	1.6
65.03940	4.5
67.05500	1.5
69.03405	1.0
71.14398	1.7
79.05489	3.6
79.34595	0.8
86.09698	1.2
91.05481	58.8
92.05805	3.1
93.07043	6.3
95.04980	3.1
103.05477	2.1
104.05768	1.6
105.07031	100.0
109.06526	15.6
115.05459	1.3
117.05762	5.5
117.07034	1.1
119.06083	4.2
131.08565	2.6
132.06551	3.0
132.08093	38.3
133.06490	15.4
133.08458	2.7
133.10135	31.2
133.10986	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	132.0809
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	0.5
53.03946	1.2
55.01874	2.9
55.05510	1.3
56.05055	0.5
57.03428	1.8
65.03948	5.5
67.05503	2.1
70.70703	2.1
71.05002	0.9
72.04523	0.8
77.03914	0.6
79.05490	7.5
86.06094	0.7
86.09701	1.0
91.05480	55.8
92.05800	3.0
93.07034	3.6
95.04967	2.4
103.05466	5.7
104.05806	1.1
105.07028	100.0
107.04966	1.1
109.06512	13.7
115.05466	3.7
117.05771	5.0
117.07030	2.3
118.07793	1.8
119.06048	6.2
131.04901	1.3
131.08540	3.1
132.04431	1.1
132.05537	0.9
132.06514	1.8
132.08092	35.5
133.02867	1.2
133.06493	74.3
133.08464	3.0
133.10121	36.1
148.19382	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	132.0809
Annotation	1,2-Dihydroisoquinoline
Peak:m/z	Relative Intensity
53.03931	1.9
55.01860	2.2
55.05494	1.2
62.49815	1.0
65.03930	7.5
67.05489	1.2
71.35806	2.0
71.36151	1.2
79.05498	8.4
91.05482	83.6
92.05811	3.5
93.07057	2.4
95.04949	2.9
103.05479	7.1
105.07029	100.0
107.04939	1.4
109.06522	25.6
115.05466	4.5
117.05759	8.7
119.06065	8.1
124.05209	1.4
131.08545	1.4
132.06560	1.8
132.08087	57.8
133.06490	87.9
133.10120	13.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0492
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01574	0.2
51.02372	0.5
53.03944	2.1
56.05027	0.3
56.96561	0.3
57.03432	0.5
60.04514	0.4
67.05506	0.3
68.05041	0.2
69.80484	1.6
70.03757	0.5
71.04983	0.4
72.08160	0.3
77.03907	0.5
83.04983	0.3
84.04453	0.4
85.08459	0.4
86.06058	0.3
86.09690	0.4
87.05567	0.3
91.05486	3.7
95.04966	4.1
102.04663	1.0
103.05465	100.0
104.05793	4.2
105.04510	0.7
113.07207	0.3
113.07944	1.7
115.05479	0.3
116.06241	1.2
129.06987	0.5
131.04927	17.0
131.08517	4.2
132.05264	1.0
132.06569	0.4
143.89101	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0492
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02366	0.2
52.92490	0.2
53.03945	2.2
55.01860	0.3
56.96548	0.5
57.03435	1.2
57.07080	0.3
59.04990	0.6
67.05497	0.6
68.95282	0.4
69.03422	0.8
70.03751	0.9
71.04998	0.4
71.29699	0.5
77.03941	0.4
78.82426	0.2
83.04974	0.5
84.04526	0.3
84.08134	0.2
85.02921	0.3
85.04837	0.5
85.06516	0.2
85.08464	0.8
85.19716	0.2
86.06052	0.3
86.09708	0.4
91.05484	5.0
95.04964	4.9
97.02870	0.3
101.07163	0.2
102.04671	0.7
103.05463	100.0
104.05795	5.0
105.04502	1.0
113.05974	0.3
113.07932	3.6
114.05510	0.3
115.05451	0.5
116.06236	1.7
118.59380	0.3
125.82435	0.2
126.28569	0.2
129.07019	0.6
131.04927	16.0
131.05942	0.7
131.06943	0.6
131.08511	4.9
132.04402	0.3
132.05276	0.9
132.06558	0.9
132.08037	0.3
132.08957	0.4
144.08145	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0856
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	0.5
53.03946	1.8
55.05510	0.7
55.39025	0.3
56.05029	0.8
56.96544	0.4
57.03434	1.1
58.06596	0.7
59.04976	0.4
59.06121	0.6
60.35184	0.3
65.03938	0.5
67.05486	0.5
68.05005	0.3
69.03426	0.5
69.96302	0.3
70.02079	1.6
70.03751	0.4
72.04496	0.4
72.08152	0.7
77.03922	0.5
79.38016	0.3
83.02483	0.4
83.04974	0.5
84.04510	0.6
85.04852	0.6
85.08489	0.6
86.06062	0.9
88.07625	0.3
89.07154	0.4
91.05481	37.7
92.05815	1.3
95.04970	5.1
96.05227	0.3
98.04807	0.5
98.08448	0.3
98.20872	0.4
102.04680	0.8
103.05466	100.0
104.05795	5.9
105.04539	0.8
105.07034	0.4
113.07175	0.7
113.07942	2.5
114.05537	0.4
115.05457	3.0
116.06243	12.1
128.06230	0.7
129.07011	6.2
131.04932	14.3
131.08563	35.4
132.05272	0.9
132.06540	0.4
132.08047	0.4
132.08894	2.2
133.06512	0.7
141.58185	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	132.0809
Annotation	6-Methyl indole
Peak:m/z	Relative Intensity
57.03424	2.2
59.55040	1.4
65.03938	11.6
67.05500	2.6
70.87026	1.5
70.88623	4.6
71.86166	1.6
79.05470	3.4
91.05479	100.0
92.05818	5.6
105.07034	43.8
109.06518	28.1
109.15047	1.6
110.06857	2.1
117.05771	11.4
119.06055	8.0
131.08524	1.7
132.08092	73.8
133.06502	15.5
133.08411	5.0
133.10126	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	131.0492
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	0.3
53.03939	1.8
56.05039	0.2
57.03435	0.4
58.06579	0.2
59.06129	0.2
69.03426	0.2
70.92661	0.2
71.04189	0.3
71.04512	0.2
71.04987	0.2
72.08160	0.3
77.03926	0.3
80.34998	0.2
81.03384	0.3
85.08498	0.2
91.05474	9.7
92.05815	0.2
95.04966	4.5
102.04694	0.9
103.05461	100.0
104.05788	4.6
105.04526	0.7
113.07205	0.3
113.07949	0.9
115.05451	1.1
116.06236	3.7
129.07013	1.7
131.04921	15.7
131.08557	9.8
132.05258	0.9
132.08904	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0492
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02390	0.4
53.03950	1.5
56.05035	0.5
56.96560	0.3
57.03431	0.8
58.06588	0.4
59.05011	0.2
59.06119	0.5
60.04523	0.3
61.02927	0.2
67.05474	0.4
68.05010	0.2
69.03442	0.3
70.03769	0.4
70.06587	0.3
70.73122	0.5
70.73460	0.2
71.04964	0.3
71.06104	0.3
72.04503	0.4
72.08159	0.5
73.02901	0.2
77.03917	0.3
83.02460	0.2
83.04986	0.5
83.06091	0.2
84.04501	0.4
85.02911	0.2
85.04831	0.4
85.08485	0.3
86.06068	0.6
86.09710	0.3
87.05578	0.2
88.07645	0.2
89.07140	0.2
91.05482	3.3
95.04967	4.6
96.08698	0.2
98.04808	0.2
98.08424	0.3
102.04696	0.6
103.05464	100.0
104.05789	4.7
105.04515	0.8
113.06000	0.2
113.07147	0.8
113.07944	2.1
114.05500	0.3
114.07450	0.2
115.05470	0.4
116.06242	1.4
129.06998	0.5
131.04927	16.9
131.08540	3.5
132.05270	0.9
132.06497	0.4
132.08075	0.2
134.99684	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0492
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	0.4
53.03945	2.3
57.03427	0.8
59.04992	0.3
59.06109	0.5
61.20030	0.3
67.05505	0.6
69.03417	0.3
69.27848	2.1
69.28271	0.9
71.05003	0.4
77.03918	0.5
79.95985	0.2
83.04960	0.3
85.08459	0.3
86.06044	0.4
91.04905	0.4
91.05479	7.0
92.66572	0.2
93.69522	0.2
95.04961	5.3
98.08446	0.3
101.11687	0.3
102.04693	1.0
103.05463	100.0
104.05792	4.4
104.70000	0.2
105.04506	0.7
108.65263	0.2
113.07199	0.3
113.07913	1.7
115.05435	0.8
116.06240	2.9
119.01710	0.3
129.06998	0.9
131.04922	18.0
131.08545	8.5
132.05295	0.9
132.06563	0.6
132.08046	0.3
132.08955	0.4
148.99777	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0492
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.8
57.03428	0.5
65.22325	0.2
67.05525	0.3
67.31644	0.3
68.95291	0.3
71.10617	0.8
77.03911	0.5
85.04813	0.3
85.08468	0.3
91.05489	1.5
95.04961	5.1
97.69299	0.3
102.04667	0.7
103.05462	100.0
104.05790	4.5
105.04488	0.9
113.07237	0.4
113.07941	1.1
116.06250	0.5
129.07050	0.4
131.04915	15.9
131.08536	2.3
132.05238	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	127.0391
Annotation	1,2,3-Trihydroxybenzene
Peak:m/z	Relative Intensity
53.00297	2.9
53.03944	23.8
55.01862	5.0
57.03421	2.8
63.03511	1.0
64.24975	1.1
68.02636	1.3
69.03423	20.0
71.01353	6.5
71.04984	11.4
71.59231	2.1
81.03413	96.3
81.04518	19.6
82.03737	3.7
83.01327	2.4
85.02901	4.5
92.91258	1.1
95.00838	1.1
97.02864	2.1
98.03691	1.5
99.04441	11.8
109.02872	100.0
110.03204	3.8
127.03915	44.4
127.04933	2.9
128.04248	1.5
128.23546	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0492
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	0.5
53.03959	1.7
55.95750	0.2
63.62885	0.2
70.89767	0.7
74.43589	0.3
77.03917	0.5
81.03380	0.3
91.05476	0.6
95.04963	4.5
102.04697	0.7
103.05466	100.0
104.05798	4.6
105.04514	0.8
113.07958	0.7
131.04926	16.2
131.08565	0.5
132.05238	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0492
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	0.4
53.03947	2.2
55.01854	0.4
55.05510	0.4
56.05021	1.5
56.96561	0.6
57.03430	1.1
57.07070	0.3
58.06592	1.2
59.04972	0.5
59.06121	1.2
60.04519	1.0
67.05494	0.7
68.05028	0.5
69.03438	0.8
70.03751	1.0
70.19563	1.4
71.04993	0.6
71.06100	0.8
72.04502	0.9
72.08151	1.2
73.02909	0.6
73.08492	0.6
74.06080	0.4
83.02455	0.7
83.04974	0.7
83.06088	0.9
84.04482	0.9
84.08102	0.4
85.02872	0.3
85.04828	0.7
85.08456	0.6
86.06067	1.0
86.09713	0.8
87.05583	0.7
88.07632	0.5
89.07147	0.5
91.05491	5.0
95.04961	5.0
98.04793	0.7
98.20818	0.5
102.04670	0.9
103.05464	100.0
104.05791	4.1
105.04493	0.9
113.06017	0.3
113.07134	1.9
113.07934	3.5
115.05475	0.4
116.06229	1.2
129.06972	0.8
131.04927	16.7
131.06999	0.7
131.08551	5.7
131.16255	1.1
132.05255	0.4
132.06607	0.6
132.08049	0.8
132.08937	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.117
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.5
55.05503	3.1
56.05003	1.0
56.96552	2.4
57.07080	5.6
60.88726	0.9
67.05502	12.2
69.07062	3.7
70.84708	1.3
70.85047	1.7
71.13733	0.9
79.01867	4.4
79.05496	11.4
80.05029	7.4
81.04542	1.5
81.07057	100.0
82.01447	1.7
82.07384	2.9
83.06128	0.9
88.02370	3.5
90.58012	0.8
93.07070	1.8
95.04973	17.8
95.08611	16.7
96.04504	5.4
97.07639	1.9
100.02483	16.2
101.02531	1.6
107.06094	1.2
112.03977	3.9
115.55988	0.9
118.03522	13.9
119.01945	2.0
119.03627	1.3
121.10175	1.3
123.04426	6.7
123.05563	22.0
123.06520	1.6
123.08134	4.8
123.10033	2.3
123.11712	38.3
124.03944	15.6
124.08673	2.1
124.12044	1.1
141.05080	1.2
144.44583	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	124.0245
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.8
55.01863	0.6
55.05519	0.4
56.05011	0.5
56.96291	0.8
56.96562	15.1
57.03418	1.8
57.44947	0.4
58.06595	1.3
58.99863	2.1
59.04989	1.0
59.07367	0.7
61.02900	0.9
67.05487	1.2
68.05029	1.0
69.03404	1.3
70.23849	0.4
70.41900	1.7
70.99854	0.9
71.04981	2.5
73.02917	0.9
74.06079	1.1
77.00891	4.3
78.00993	0.6
78.04713	2.2
78.06319	2.3
79.00645	0.5
80.05014	2.4
81.03403	1.5
81.04517	0.9
81.05336	0.5
81.22982	0.4
82.00005	1.1
82.01411	1.0
82.01832	0.6
82.06574	0.5
82.99850	0.6
83.00776	3.6
83.01520	1.3
83.04991	0.7
83.06069	0.6
84.01176	0.9
84.08163	0.8
85.02895	0.7
89.00870	1.2
89.02561	1.2
89.03473	0.5
90.01567	3.3
91.00529	0.7
91.02336	0.9
92.01293	4.1
92.07890	0.5
94.01750	0.7
95.01933	2.0
95.04971	1.0
96.04505	2.7
96.05271	2.2
96.08144	0.4
97.02318	2.1
97.02895	1.4
97.05286	1.0
97.07667	0.6
98.03060	0.4
98.97583	3.7
99.02065	3.7
100.02473	6.2
101.00874	9.5
101.02543	17.2
102.01020	0.7
102.02235	11.4
102.02895	0.4
103.00619	0.5
103.02312	1.8
103.52077	0.9
106.02867	2.3
106.03584	0.5
107.01836	0.5
109.02882	4.6
110.01279	1.3
110.04794	3.1
111.04449	0.5
112.02829	4.6
112.03959	0.8
113.01777	0.9
115.03313	0.5
116.98635	3.0
117.10224	2.0
118.03515	6.4
119.01916	100.0
119.03603	19.2
120.02016	6.0
120.03268	11.1
121.01663	2.1
121.03387	1.5
123.04297	0.4
123.53615	0.5
124.02486	0.9
124.03946	20.3
124.04784	7.1
124.05910	1.8
124.07584	0.9
124.08707	2.9
125.02349	0.8
125.07108	3.8
131.00218	0.6
131.01888	1.3
133.01672	1.1
133.03438	0.9
134.99677	2.2
135.03223	0.7
137.02951	52.2
138.03021	3.0
140.03462	0.7
142.03487	8.8
142.05185	0.6
143.03748	0.5
143.04819	0.6
144.03250	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	124.0245
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40902	0.2
53.03947	0.8
55.01868	0.5
55.05523	0.5
56.05030	1.3
56.96565	15.4
57.03432	0.8
58.06603	0.6
58.99854	0.6
59.82423	0.2
60.95859	0.2
67.05500	0.7
68.05022	0.7
68.05811	0.4
69.03426	0.5
70.06606	0.3
70.98137	0.3
71.03004	0.2
71.04992	1.1
71.15752	0.3
71.16077	0.5
73.02901	0.3
74.06097	0.5
76.51631	0.3
77.00874	0.8
78.04272	0.6
78.04700	3.8
78.06326	0.6
78.56524	0.3
79.05049	0.2
79.05496	0.8
80.05025	1.7
81.03413	2.5
81.04553	1.1
81.07074	0.3
82.00032	0.2
82.01417	0.5
82.99869	0.6
83.00777	0.9
83.01550	0.9
83.04999	0.4
83.06087	2.4
84.01165	0.5
85.02889	0.4
88.99171	0.3
89.00833	0.3
90.01554	1.7
90.53026	0.2
91.00531	0.8
92.01311	2.0
92.52728	0.4
95.01337	1.4
95.01923	0.5
95.04970	1.2
95.52357	0.3
96.01573	0.6
96.04503	1.5
96.05231	1.5
96.08097	0.3
97.02341	0.5
97.02914	1.0
97.07674	1.2
97.99201	0.5
98.01283	0.7
98.03559	0.5
98.97579	1.6
99.02084	1.7
100.02464	3.4
101.00871	10.7
101.02545	7.7
102.01022	0.5
102.02235	4.9
103.02358	0.8
103.52093	0.3
104.01300	0.6
106.01044	0.3
106.02852	0.3
106.03677	0.6
107.03963	0.3
107.06092	1.9
109.02879	6.1
110.01266	2.2
110.03204	0.6
111.50653	0.3
112.02840	1.8
112.03963	0.5
113.01805	0.7
116.00259	0.4
116.98647	1.7
117.10268	0.6
118.03530	2.8
119.01915	100.0
119.03597	8.5
119.51961	0.3
120.02030	6.5
120.03278	4.6
120.04071	0.4
121.01575	1.2
121.02433	0.2
121.03365	0.9
121.52064	0.5
123.04392	0.9
124.02530	0.6
124.03945	10.1
124.04806	7.0
124.07577	1.8
124.08716	3.1
125.02380	0.4
125.06039	0.4
125.07103	1.4
126.46775	0.2
131.00192	0.4
133.01622	0.4
133.03456	0.3
134.99698	0.7
137.02951	58.8
138.03056	4.0
139.03473	0.3
140.03484	0.4
142.03497	8.2
143.03630	0.6
144.03226	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.1169
Annotation	Santene
Peak:m/z	Relative Intensity
53.03941	4.2
55.05502	3.4
56.05039	0.9
56.96558	1.2
57.07074	5.9
65.03944	1.3
66.08946	0.7
67.05499	13.9
69.07062	2.7
69.45470	6.6
75.74492	0.6
79.01826	0.9
79.05487	11.3
80.05006	3.9
81.04557	0.9
81.07051	100.0
82.07400	2.7
88.02345	1.1
93.07038	1.5
94.07770	0.8
95.04961	36.2
95.08607	16.6
96.04507	2.4
96.05281	1.7
98.21509	1.6
100.02481	5.2
101.02559	0.8
105.04517	0.8
105.07022	0.8
107.06030	0.8
108.05721	1.1
108.09396	0.8
118.03502	6.3
121.10121	1.8
123.04430	12.6
123.05543	10.0
123.08112	4.6
123.11698	39.1
124.03961	6.7
124.07821	0.8
124.08669	3.4
124.12003	1.2
141.05141	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.117
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	4.3
55.05485	3.7
56.05021	1.3
56.96545	2.3
57.07081	6.1
65.03918	1.4
67.05504	14.2
69.07064	2.4
69.72717	0.8
70.66724	1.0
70.74818	2.0
70.75208	1.9
77.00880	1.1
79.01837	2.2
79.05490	12.5
80.05018	7.1
81.04533	1.3
81.07053	100.0
82.01444	5.3
82.07381	3.1
83.06086	1.4
88.02362	2.3
93.07069	1.5
95.04967	46.9
95.08608	17.1
96.04478	3.7
96.05277	1.8
96.08950	1.3
97.07622	1.6
100.02475	53.0
101.02570	4.3
105.04476	1.7
105.07040	1.6
108.05691	1.8
108.07652	1.2
112.03957	3.0
118.03516	49.1
119.01938	6.3
119.03585	4.8
123.04402	12.9
123.05536	22.3
123.08125	6.9
123.10078	1.6
123.11694	34.3
124.03973	13.1
124.04915	1.7
124.08697	5.7
124.12002	1.8
126.50114	1.0
137.02997	5.2
140.03445	1.7
141.05057	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	123.117
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	1.0
53.03944	7.6
54.03465	1.0
55.01870	1.2
55.05509	4.2
56.05029	2.2
56.96558	1.2
57.07073	6.5
65.03959	1.3
67.05502	14.5
68.05021	0.9
69.07063	2.7
69.72633	2.7
69.73040	1.9
70.06587	1.3
77.03920	1.1
79.01852	1.4
79.05487	11.6
80.05018	7.6
81.03424	1.3
81.04537	3.0
81.07052	100.0
82.01438	1.1
82.05346	1.6
82.07384	2.0
83.06092	3.0
93.07040	1.9
93.56133	0.7
95.04964	94.4
95.08601	16.1
96.04489	5.1
96.05267	4.6
96.48557	0.6
97.07656	2.8
100.02477	11.4
101.02560	0.6
105.04513	2.9
105.07048	0.9
107.06068	2.5
108.05712	1.4
108.07635	0.8
108.09381	1.0
109.46410	0.8
112.03988	2.3
118.03528	9.4
121.10130	1.4
123.04430	28.8
123.05546	22.0
123.06547	1.3
123.08164	6.8
123.08895	1.1
123.10029	2.4
123.11703	35.8
124.03946	16.0
124.04802	1.3
124.07680	0.9
124.08715	11.2
124.12026	2.6
137.02937	0.8
140.03470	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.117
Annotation	Santene
Peak:m/z	Relative Intensity
53.03946	1.8
55.05506	4.3
56.96566	0.7
57.07076	6.8
65.03936	0.5
67.05505	11.2
68.05849	0.7
69.07062	3.6
69.86461	2.3
69.86877	0.8
79.01858	0.7
79.05495	11.6
80.05011	2.4
81.07054	100.0
82.07354	3.0
86.99829	0.6
88.02391	1.0
93.07049	1.6
94.07784	0.8
95.04966	12.0
95.08605	16.7
96.04500	1.3
98.21416	0.8
100.02485	2.4
105.07000	1.1
108.05730	1.7
118.03509	1.6
120.77393	0.5
121.10137	1.8
123.04507	3.9
123.05531	5.1
123.08106	2.8
123.11705	36.6
124.03964	3.5
124.12028	2.0
128.73795	0.5
140.41458	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.1169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.1
55.05500	3.7
56.96573	0.9
57.06817	0.8
57.07079	6.6
65.03936	0.7
67.05505	12.1
68.37237	0.6
69.07056	2.2
70.08903	0.7
71.24176	1.4
71.24515	0.7
76.64097	0.6
79.05490	12.0
80.05019	2.2
81.07053	100.0
82.07390	2.3
93.07026	1.4
95.04970	15.5
95.08600	16.7
96.04485	1.7
100.02480	3.2
105.07032	1.1
112.03978	0.7
118.03531	2.6
121.10149	2.0
121.63347	0.7
122.03054	0.6
123.04446	4.8
123.05551	7.2
123.08065	2.8
123.11701	38.8
124.03958	4.4
124.12012	2.0
133.51118	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.117
Annotation	Santene
Peak:m/z	Relative Intensity
53.03938	3.3
55.05506	4.2
56.96569	0.8
57.07084	7.4
67.05164	1.2
67.05502	12.3
67.44170	0.7
69.07062	2.5
69.52250	6.2
74.38938	0.7
79.05131	0.8
79.05498	9.8
80.05025	1.8
81.07058	100.0
82.07384	2.5
88.02395	1.2
93.07009	1.2
95.04973	24.5
95.08602	15.2
96.04508	1.0
100.02431	1.6
105.04520	1.0
105.07062	1.0
118.03549	2.5
121.10130	2.1
123.04469	6.5
123.05443	5.6
123.08059	2.3
123.11708	37.3
124.03959	3.2
124.12029	1.7
144.79922	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.117
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	0.7
53.03945	8.4
54.03473	1.4
54.46592	0.5
55.05512	2.6
56.05049	2.5
56.96560	0.7
57.07069	4.4
65.03933	1.2
67.05502	12.4
68.05030	1.8
69.04567	0.8
69.07069	1.7
70.06608	0.6
71.05779	0.9
71.06123	0.7
77.03932	1.9
78.04696	0.6
79.05485	9.5
79.05904	0.8
80.04998	4.1
80.05774	0.5
81.03412	0.7
81.04546	2.8
81.07053	72.3
82.07389	2.1
83.06091	5.9
93.07040	1.2
94.07849	1.0
95.04963	100.0
95.08595	11.5
96.04509	1.8
96.05287	4.3
97.07649	2.8
100.02492	2.1
100.03442	0.5
105.03384	1.4
105.04520	3.8
107.06065	4.3
108.05662	0.6
112.03976	0.9
112.86456	0.5
118.03518	1.6
121.10126	1.4
123.04427	35.7
123.05527	7.0
123.08152	2.9
123.09119	0.8
123.11700	26.7
124.03938	4.9
124.04794	1.4
124.08708	6.0
124.12077	1.1
126.45403	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.117
Annotation	Santene
Peak:m/z	Relative Intensity
53.03942	4.4
53.28357	0.5
55.05503	3.5
55.40532	0.6
56.05030	1.5
57.06816	0.8
57.07078	6.8
65.03949	0.9
67.05506	11.7
67.25481	0.6
69.07066	3.0
71.43403	0.9
79.05495	13.1
80.05021	2.1
81.04533	1.3
81.07055	100.0
82.07385	2.6
83.06096	2.1
93.07063	1.2
94.07824	0.6
95.04967	45.6
95.08604	17.4
96.04517	1.5
96.05276	1.3
96.08929	0.6
97.07648	1.0
100.02483	1.0
105.04500	1.6
107.06089	2.0
107.63438	0.5
108.05746	0.8
108.09377	1.1
112.03984	0.6
118.03551	1.1
121.10181	1.4
123.04434	12.5
123.05536	5.0
123.08099	5.0
123.11704	36.6
124.03967	3.3
124.04754	0.7
124.07561	0.7
124.08701	2.7
124.12053	1.6
130.07349	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.117
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	0.6
53.03944	7.4
54.03465	1.3
55.05504	2.1
56.05037	2.0
57.07073	4.3
58.48007	0.5
65.03942	0.7
66.27039	0.6
67.05503	10.8
68.05014	1.3
69.07063	1.8
70.06577	1.0
70.07457	2.8
77.03931	1.6
79.05061	0.7
79.05489	8.9
80.05021	3.6
81.04559	2.9
81.07053	61.4
82.07379	2.4
83.06094	3.9
90.42971	0.5
93.07034	1.1
94.07840	0.5
95.04964	100.0
95.08605	9.8
96.04488	2.5
96.05296	3.9
97.07674	2.5
100.02498	2.9
105.04517	2.3
105.06996	0.7
107.06094	2.3
107.14233	0.5
112.03968	0.9
112.65305	0.5
118.03539	3.2
118.69144	0.5
119.01929	0.8
121.10108	0.8
123.04424	29.5
123.05535	11.6
123.08176	3.0
123.09982	1.6
123.11700	24.3
124.03938	6.4
124.04797	1.8
124.07804	0.7
124.08711	6.5
124.12033	1.2
140.03424	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.117
Annotation	Santene
Peak:m/z	Relative Intensity
53.03947	2.1
55.05510	3.3
57.07075	6.5
57.92765	0.4
65.03934	0.9
67.05168	0.8
67.05503	11.6
69.07065	3.0
70.85622	0.7
70.85963	0.7
79.05492	11.5
80.05025	1.0
81.07052	100.0
82.07395	3.0
88.02368	0.7
93.07040	1.8
94.07858	0.7
95.04964	29.0
95.08601	15.6
96.04501	1.1
96.05294	1.4
96.08128	0.5
96.08949	0.5
97.07724	0.5
100.02474	2.4
105.04540	0.9
108.09362	1.1
112.03957	0.8
116.48772	0.5
118.03525	1.8
119.03625	0.5
121.10124	1.8
123.04420	7.6
123.05541	4.2
123.08092	1.0
123.11700	40.8
124.03928	3.5
124.04733	0.6
124.12054	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.1169
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53006	0.6
51.60341	0.6
53.03946	2.0
55.05505	3.9
57.07072	5.2
63.68868	0.6
65.55925	0.7
67.05502	13.0
69.07069	2.6
71.29411	0.5
71.29545	0.6
71.29906	1.0
72.49877	0.6
77.00936	0.7
77.08066	0.6
79.05492	13.3
81.07054	100.0
82.07391	2.0
88.02369	0.9
93.07075	1.1
94.07808	0.9
95.04967	13.9
95.08609	14.6
96.04519	0.9
96.08929	0.8
100.02512	1.8
108.09355	0.8
118.03552	1.3
121.10152	0.9
123.04469	3.3
123.05555	2.5
123.11702	37.0
124.03934	0.7
124.12070	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.117
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	4.7
55.05506	4.7
57.07070	6.8
65.03934	1.2
67.05506	13.6
69.07067	2.8
70.11147	4.2
70.22615	0.7
73.57476	0.7
76.57292	0.7
79.01829	1.2
79.05491	13.0
79.57285	0.7
80.05013	4.6
81.07053	100.0
82.01417	0.9
82.07375	1.8
88.02377	2.4
93.07055	1.8
95.04964	39.9
95.08605	17.7
96.04494	2.8
96.05286	1.2
99.22974	0.8
100.02486	6.5
105.07047	0.9
106.07390	0.8
112.03926	1.1
118.03494	5.7
119.01906	1.0
121.10143	1.9
123.04420	12.0
123.05551	13.4
123.08078	3.1
123.09985	1.6
123.11703	39.8
124.03945	9.5
124.08727	1.0
124.12079	1.3
140.03407	1.1
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
53.03935	2.9
55.01859	2.5
56.96563	7.9
57.03421	4.1
58.99859	2.7
61.02913	3.1
67.05480	2.8
69.03413	3.6
69.49420	6.4
69.49846	2.5
71.01292	1.2
71.04991	2.0
73.02892	2.7
77.00896	2.6
78.06329	1.1
78.52911	1.6
80.05006	4.2
81.01887	1.2
81.03400	3.0
81.07043	2.6
82.01445	12.4
83.00771	2.2
85.02913	2.5
86.52692	2.0
87.01919	1.3
88.02662	4.2
90.02391	1.4
91.00543	1.1
92.01272	3.0
93.01925	1.4
93.53470	1.7
95.04967	20.1
96.02394	1.8
96.04469	2.2
97.02848	1.4
98.52686	1.3
98.97569	1.9
99.02098	1.1
99.10912	1.0
100.02477	100.0
101.00851	6.0
101.02549	6.7
102.02393	4.8
103.02316	1.6
105.03381	2.4
106.02917	1.1
109.02864	3.0
111.02928	4.8
112.02812	2.6
116.98636	2.0
117.10174	0.9
118.01133	2.8
118.03515	80.9
119.01913	46.1
119.03630	6.5
120.03345	2.4
121.01625	1.5
121.03295	1.0
123.04401	26.0
123.05531	14.5
123.11680	1.3
124.03954	4.5
131.01888	6.4
133.01628	1.4
133.03421	1.3
137.02945	14.8
141.05060	4.4
142.03514	7.2
144.03244	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0806
Annotation	4-Ethylphenol
Peak:m/z	Relative Intensity
50.01586	0.3
51.02374	0.7
53.03699	0.5
53.03942	6.1
54.03457	0.9
54.04291	0.3
54.51233	0.3
55.01863	1.3
55.05508	4.9
56.05028	1.6
57.07064	2.1
65.03934	0.9
67.05502	24.4
68.05026	0.9
69.03432	0.4
69.07066	1.3
70.06592	0.7
71.42855	0.4
71.43186	0.5
73.84476	0.3
77.03921	1.3
78.04283	0.3
79.05486	7.0
80.05017	3.8
80.05785	0.3
80.06287	0.3
81.03433	1.2
81.04539	2.6
81.07053	45.7
82.07401	1.5
83.06097	3.6
83.08665	0.3
91.05476	0.8
93.07042	4.3
95.04964	100.0
95.08599	27.0
95.91631	0.3
96.04508	2.4
96.05305	4.6
96.08941	1.1
97.07643	1.9
100.02486	2.0
103.05481	0.3
105.03407	0.5
105.04508	3.5
105.07025	1.8
106.07388	0.9
107.04939	0.7
107.06068	2.6
108.05742	3.9
108.07674	1.4
108.09357	0.5
112.03973	1.0
118.03514	1.9
121.06507	0.7
121.10139	0.4
123.04447	31.7
123.05554	11.0
123.08077	18.3
123.09992	2.6
123.11694	15.8
124.03963	6.6
124.04807	1.6
124.05884	0.4
124.07674	0.6
124.08710	6.4
124.12061	0.8
140.03453	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.117
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02394	1.4
53.03947	8.7
55.05513	3.7
56.96552	1.8
57.07073	4.9
67.05505	16.0
67.50892	1.1
69.07056	1.9
71.56123	2.9
73.85154	1.3
78.05314	1.2
79.01864	2.5
79.05483	9.5
80.05014	6.8
81.07058	86.8
82.07394	2.4
88.02370	4.4
89.54665	1.3
93.07047	2.4
95.04970	100.0
95.08601	16.0
96.04501	5.0
96.05299	3.9
99.71749	1.2
100.02505	8.9
105.04545	1.7
108.05719	2.8
108.07684	1.8
112.03997	2.4
112.28224	1.3
118.03524	9.1
119.03648	1.4
123.04433	31.2
123.05553	22.1
123.08095	12.3
123.08897	1.6
123.10039	2.7
123.11707	36.0
124.03942	16.9
124.04800	1.5
124.07650	1.5
124.08669	1.5
124.12045	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.117
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02360	0.6
53.03945	8.5
54.03465	1.6
55.01852	0.8
55.05503	2.3
56.05034	3.5
57.07074	3.0
60.99276	0.5
65.03938	1.1
67.05502	11.5
68.05022	2.4
69.04568	0.6
69.07066	1.9
70.06585	0.9
70.73620	1.7
77.03909	1.6
79.05487	7.7
80.05010	5.3
80.05822	0.7
81.03422	1.2
81.04533	4.7
81.07053	59.8
82.07378	1.4
83.06098	8.9
93.07063	0.9
95.04963	100.0
95.08604	10.3
96.04495	2.4
96.05267	4.0
96.08958	0.6
97.07643	3.4
98.64955	0.4
100.02475	2.7
105.04523	3.1
105.07014	0.8
107.06068	4.7
108.05758	2.9
110.24470	0.5
112.03992	0.8
118.03487	2.4
120.20963	0.5
121.10188	0.9
123.04429	29.3
123.05540	10.6
123.08128	7.4
123.09167	1.1
123.10027	0.9
123.11703	20.2
124.03948	4.5
124.04841	1.4
124.08707	8.9
124.12106	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	121.1013
Annotation	2-Ethyltoluene
Peak:m/z	Relative Intensity
53.03945	6.0
55.05510	5.4
60.05689	0.9
67.05492	1.5
69.92447	5.7
77.03916	1.3
79.05061	2.0
79.05489	23.5
80.06251	1.2
81.07052	4.5
91.05478	27.7
92.05826	1.2
93.07037	100.0
94.07363	4.8
95.04970	13.4
98.21461	1.3
103.05476	4.7
105.04517	1.5
105.07029	24.9
106.07806	3.1
115.90942	0.9
119.08582	4.5
121.10134	33.9
122.10452	1.5
123.08060	2.6
133.07582	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1013
Annotation	2-Ethyltoluene
Peak:m/z	Relative Intensity
51.02366	1.6
53.03941	8.3
54.03457	6.0
55.01863	1.6
55.05510	1.7
61.32618	0.8
65.03941	6.1
68.05004	1.6
69.61567	5.9
70.06575	2.1
73.65933	1.0
77.03911	1.3
77.16921	0.8
79.05486	34.3
80.05820	1.3
81.03412	1.5
81.04536	16.1
81.07059	1.3
82.05315	16.6
91.05479	28.3
92.05817	1.6
93.07038	46.8
94.06561	2.3
94.07349	2.0
95.04965	20.8
95.06070	5.7
98.20689	0.9
100.97446	0.9
102.31465	0.8
103.05463	23.2
105.04493	4.2
105.07023	100.0
106.06586	2.0
106.07903	5.6
107.07331	37.9
111.04424	2.4
119.08569	13.5
120.05658	1.5
120.08087	1.3
120.08950	1.6
121.02858	11.2
121.03959	3.9
121.05151	1.3
121.06506	29.2
121.07443	1.1
121.10133	73.3
122.06095	3.8
122.07147	77.4
122.09657	74.0
122.10429	4.0
123.08063	17.0
133.07593	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	123.0405
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99848	2.8
62.09220	1.2
71.03139	2.5
71.03489	1.2
77.00911	1.8
82.01436	11.9
82.61862	1.1
95.04951	3.5
97.02825	1.3
100.02476	100.0
101.00864	4.3
101.02538	6.2
118.03516	86.4
119.01910	55.9
119.03596	6.5
123.04053	2.6
137.02956	30.7
141.05080	2.9
142.03519	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	123.0406
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02360	2.2
53.03952	4.1
55.01852	1.9
56.96565	16.8
57.03437	3.4
58.99849	3.1
61.02913	2.2
65.03918	1.0
67.05505	4.8
68.05036	0.7
69.03424	3.0
69.04539	1.2
69.68358	3.4
69.68782	1.5
71.04978	1.7
73.02908	2.4
77.00874	2.9
77.03937	4.1
78.04751	0.9
78.06335	0.9
78.52962	1.2
80.05020	5.6
81.01897	1.8
81.03407	3.2
81.04514	0.8
81.07036	1.6
82.01434	14.9
83.00783	1.2
83.01531	0.8
83.04991	1.1
83.06133	1.0
84.01567	1.1
84.52972	1.0
84.96000	0.7
85.02867	1.5
86.52708	1.2
88.02670	2.9
91.00478	0.9
92.01293	2.1
92.52673	0.9
93.53439	1.0
95.01329	1.0
95.04966	51.7
96.04470	2.9
96.05680	5.6
97.02866	1.4
97.99187	1.0
98.97581	3.7
99.02075	1.5
100.02477	100.0
101.00865	11.0
101.02554	7.7
101.97558	0.6
102.02357	2.4
103.02308	1.2
105.03387	6.5
105.04518	2.8
109.00478	1.6
109.02892	6.0
110.01309	1.6
111.02911	1.6
111.53461	1.2
112.01031	1.0
112.02869	1.7
115.02421	1.4
116.98674	3.3
118.01159	1.6
118.03516	83.4
119.01914	94.2
119.03603	5.7
120.03328	0.8
121.01601	2.4
123.04433	86.9
123.05518	12.0
123.06683	5.9
123.09107	0.9
124.03950	14.9
124.04783	2.8
124.07615	1.0
124.08688	1.1
129.95589	0.7
131.01871	3.2
132.02049	1.0
133.03406	1.6
134.99675	0.7
136.04581	1.3
136.66119	0.7
137.02950	49.4
141.05106	3.0
142.03497	8.9
143.03580	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.065
Annotation	Phenylacetaldehyde
Peak:m/z	Relative Intensity
51.02386	1.5
53.03701	0.8
53.03945	12.2
54.03466	1.9
55.01866	1.9
56.96574	0.6
65.03938	2.6
67.05521	0.6
68.05035	1.1
70.58763	1.3
70.59129	0.7
77.03934	2.3
79.05486	2.5
81.03442	1.4
81.04563	3.0
82.05330	6.1
91.05481	51.5
92.05810	1.8
93.07043	53.9
94.06582	1.1
94.07356	1.2
95.04971	30.2
95.05991	3.7
96.05331	0.9
100.21861	0.5
102.04711	1.1
103.05467	66.5
104.05795	2.7
105.04520	6.9
105.07043	3.4
107.07335	1.3
111.04427	0.9
116.93236	0.5
119.08577	0.7
121.06505	100.0
121.10149	2.4
122.06010	1.0
122.07157	14.5
122.09669	2.4
126.02918	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1013
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	5.8
55.05506	6.9
56.43568	1.1
64.53836	1.1
67.05491	1.8
69.35978	1.3
70.73148	2.1
70.73519	2.5
71.39787	1.2
79.05489	27.3
81.07042	2.8
91.05478	29.1
93.07037	100.0
94.07369	3.9
95.04957	13.0
103.05440	5.7
105.07033	24.4
106.07833	2.1
119.08555	4.4
121.10132	34.5
123.08076	3.4
128.26546	1.2
133.07516	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1014
Annotation	2-Ethyltoluene
Peak:m/z	Relative Intensity
51.02360	1.5
53.03941	11.0
55.01842	1.5
55.05511	3.7
56.33173	0.8
58.34465	0.7
58.65847	0.8
60.07607	0.7
65.03932	9.2
66.04242	0.9
66.64574	0.7
67.05479	1.4
70.80660	1.8
71.77987	0.7
77.03905	1.2
79.05486	27.1
80.06262	1.2
81.03387	1.2
81.07053	3.4
91.05475	56.4
92.05803	5.9
93.03415	1.0
93.06197	6.1
93.07037	100.0
94.07366	4.1
95.04362	1.3
95.04964	26.0
96.05299	1.2
97.52490	0.7
101.32494	0.7
102.56992	0.8
103.05460	34.9
104.05782	1.9
105.04520	4.9
105.07021	33.6
106.06623	0.7
106.07864	1.4
107.07368	16.1
107.08580	31.3
111.04448	3.2
112.03986	0.9
119.08581	3.3
120.05304	2.0
121.02880	13.1
121.03996	2.8
121.05549	3.7
121.06519	57.5
121.10133	32.4
122.03222	1.5
122.06150	5.1
122.07124	5.7
122.09660	33.1
122.11040	3.4
123.08078	4.1
133.07593	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.065
Annotation	Phenylacetaldehyde
Peak:m/z	Relative Intensity
50.01591	0.4
51.02382	1.6
53.03942	13.5
55.01862	2.5
56.96561	0.8
65.03936	0.8
69.97978	0.5
70.67544	0.9
70.67944	0.5
77.03927	2.5
78.04699	0.5
79.05470	0.5
81.03408	1.9
91.05476	48.6
92.05798	1.4
93.07037	50.8
94.07388	1.5
95.04961	30.1
96.05317	0.5
102.04691	1.0
103.05461	64.0
104.05788	1.5
105.04507	5.4
121.06494	100.0
122.06829	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	121.065
Annotation	Phenylacetaldehyde
Peak:m/z	Relative Intensity
51.02367	1.2
53.03943	10.0
54.03456	1.8
55.01863	1.5
55.05518	0.6
61.95230	0.4
65.03947	2.2
67.05462	0.7
68.05009	0.4
71.61758	0.4
71.62119	0.6
77.03917	1.8
78.04715	0.8
78.59867	0.4
78.74929	0.4
79.05491	14.3
81.03407	1.4
81.04540	3.3
81.07040	0.6
82.05322	3.2
91.05476	38.9
92.05814	1.1
93.07038	29.5
94.07375	0.7
95.04967	24.8
95.05956	2.1
96.05309	0.4
102.04691	0.6
103.05463	12.9
105.04516	5.4
105.07026	42.1
106.07838	2.6
107.07346	6.0
111.04460	0.9
119.08572	5.8
120.08073	0.5
121.02879	2.0
121.06498	100.0
121.10133	30.0
122.07152	14.4
122.09662	13.9
122.10442	0.8
123.08056	8.5
133.07623	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	119.0494
Annotation	Benzofuran
Peak:m/z	Relative Intensity
50.87652	0.5
64.02323	0.5
65.03944	14.1
70.23823	2.7
71.81697	0.5
74.45573	0.5
91.05482	100.0
92.05795	3.1
95.04981	0.8
98.20741	0.5
117.07030	1.0
119.04947	53.0
119.08591	3.0
120.05337	1.6
125.07014	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0494
Annotation	Benzofuran
Peak:m/z	Relative Intensity
54.54659	0.9
63.83784	0.8
65.03938	16.8
65.24971	0.8
71.59747	1.5
76.65950	0.8
84.12220	1.0
91.05479	100.0
92.05807	2.5
95.04941	1.0
117.07024	1.0
119.04942	50.7
119.08563	3.9
120.05293	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0493
Annotation	Benzofuran
Peak:m/z	Relative Intensity
53.03938	0.9
56.05045	1.0
56.96547	0.5
59.06121	17.9
60.04520	1.6
61.02927	0.9
65.03934	10.9
71.59050	0.8
74.06073	3.0
75.05595	0.8
77.03527	4.6
79.05485	2.1
80.83917	0.4
85.07659	0.7
87.05589	4.5
91.05476	100.0
92.04969	1.1
92.05803	3.6
93.07042	1.0
95.04971	1.4
96.05299	1.4
103.05466	3.0
104.06232	1.5
109.06480	0.8
115.05441	0.6
117.07019	4.5
119.04942	33.0
119.06007	2.0
119.06870	1.8
119.08575	22.7
120.04447	2.0
120.05546	3.9
120.08090	1.3
120.08865	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0494
Annotation	Benzofuran
Peak:m/z	Relative Intensity
53.03941	0.8
58.12413	0.6
63.07470	0.7
65.03941	13.5
70.62113	1.5
70.62508	1.2
73.83692	0.6
81.17778	0.6
91.05480	100.0
92.05815	2.8
95.05006	1.3
103.05465	0.9
117.07001	1.4
119.04942	52.1
119.08577	11.9
120.05328	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0493
Annotation	Benzofuran
Peak:m/z	Relative Intensity
51.02384	0.7
53.28306	0.7
59.06120	5.7
65.03936	11.6
68.29161	0.8
70.77392	2.4
70.77748	0.9
74.06074	0.8
77.03525	2.6
87.05584	0.9
87.36861	0.6
91.05476	100.0
92.05015	1.0
92.05815	3.3
102.57658	0.8
117.07017	2.2
118.06619	0.7
119.04937	49.6
119.08574	10.0
120.04446	1.1
120.05423	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	120.081
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	0.7
53.03954	3.6
55.05499	0.9
59.06107	1.1
65.03932	2.3
65.73946	0.7
71.25938	1.8
74.06082	1.9
77.03918	0.8
78.91762	0.8
79.05490	6.2
80.05003	1.4
80.69158	0.8
81.04551	2.7
91.05476	12.8
92.04971	2.1
92.05811	4.5
93.04548	0.9
93.07043	23.4
94.06571	1.4
95.04970	6.3
100.05552	0.7
103.05470	56.3
104.05796	2.0
105.04539	1.1
105.07021	11.5
118.06578	0.9
119.08527	1.2
120.04473	2.5
120.05587	11.1
120.08106	100.0
121.02905	3.9
121.03996	3.2
121.06490	10.5
121.07614	1.7
121.08459	2.8
121.10142	9.3
123.08094	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	121.065
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02364	1.3
53.03708	0.9
53.03946	13.8
55.01857	1.9
55.05503	0.7
55.72531	0.5
56.96549	0.9
57.03426	1.4
59.04986	0.9
65.03931	1.0
70.89989	1.4
71.04977	2.0
71.52140	0.6
73.12681	0.5
77.03921	2.4
79.05474	0.6
80.52699	5.9
81.02767	0.5
81.03416	0.9
82.01443	1.6
83.04969	2.1
85.53747	0.8
89.03447	1.0
91.05476	48.8
91.53721	2.0
92.05798	1.4
93.07040	50.8
94.07367	2.0
95.04963	30.9
96.05258	1.1
98.03953	1.5
100.02475	5.9
100.54247	4.3
101.00892	0.8
101.02574	0.9
101.04303	0.7
102.04677	0.8
103.05461	68.5
104.05776	2.7
105.04514	6.0
109.54774	4.5
118.03500	3.4
119.01907	3.6
121.06498	100.0
122.06830	3.3
129.03954	0.8
133.03426	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0653
Annotation	Indole
Peak:m/z	Relative Intensity
51.02374	2.7
53.03944	32.5
55.01862	2.0
59.05886	1.7
62.01941	1.5
65.03939	8.0
65.96119	1.5
66.11191	1.5
71.21258	3.3
77.03929	6.3
85.45420	1.7
91.05475	48.9
95.04961	72.4
96.05269	2.2
96.83244	1.6
105.04508	12.1
115.30329	1.5
118.06540	100.0
119.04931	27.1
119.06857	2.6
138.55084	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0654
Annotation	Indole
Peak:m/z	Relative Intensity
51.02362	3.4
51.66602	1.6
53.03946	37.4
54.13238	1.9
64.84176	1.9
65.03925	5.5
65.29062	2.2
69.99619	3.7
70.00027	9.6
72.08141	3.7
77.03915	5.9
81.03412	3.1
83.52360	3.3
83.56815	2.1
91.05478	41.1
95.04964	74.2
105.04494	12.9
109.55089	2.2
118.06540	100.0
119.04939	14.1
119.06847	3.0
119.08577	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0654
Annotation	Indole
Peak:m/z	Relative Intensity
51.02371	3.0
53.03709	2.2
53.03946	36.4
55.84432	1.0
59.45899	1.1
62.73451	1.0
65.03936	4.8
69.84200	6.7
72.08159	1.8
77.03925	4.4
81.03403	3.6
83.09203	1.1
91.05477	41.1
93.07066	1.0
95.04967	75.8
96.05315	3.6
105.04524	15.2
117.07013	1.1
118.06539	100.0
119.04946	20.9
119.06850	3.8
119.08595	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0494
Annotation	Benzofuran
Peak:m/z	Relative Intensity
51.07185	0.3
53.03970	0.5
56.05023	0.4
59.06123	2.1
62.96500	0.3
63.00580	0.3
65.03941	10.2
71.54731	0.6
71.55103	0.8
74.06091	1.0
77.03535	6.3
77.03956	0.7
79.05505	1.4
85.53048	0.4
86.48112	0.3
87.05583	0.4
91.05482	100.0
92.04996	1.4
92.05809	3.7
93.07055	0.5
95.04960	0.8
96.05328	1.0
98.21510	0.4
103.05470	1.6
104.06288	1.0
109.06540	1.3
115.05382	0.4
117.07037	3.0
119.04946	35.5
119.06031	3.2
119.06845	1.3
119.08581	18.4
120.04480	1.5
120.05554	4.6
120.08103	0.8
120.08955	0.8
128.49742	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0494
Annotation	Benzofuran
Peak:m/z	Relative Intensity
50.01595	0.6
53.03948	1.0
65.03942	13.9
69.39229	2.5
69.39660	2.8
77.03528	1.1
90.44315	0.5
91.05481	100.0
92.05791	4.7
95.04950	1.6
96.05302	1.5
98.20773	1.0
103.05451	0.8
117.07027	1.3
119.04945	48.5
119.06857	2.3
119.08575	5.7
120.04495	0.8
120.05401	3.0
128.05925	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0493
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	0.6
54.04273	0.7
56.68263	0.5
65.03940	13.1
67.39919	0.5
69.85059	3.3
91.05479	100.0
92.05804	4.6
95.04951	0.7
96.05325	1.3
117.07006	0.9
119.04937	56.4
119.06841	2.6
119.08575	6.2
120.05312	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0654
Annotation	Indole
Peak:m/z	Relative Intensity
51.02368	3.1
53.03947	39.2
55.01871	2.5
58.78786	1.9
61.44422	2.0
62.83690	1.8
70.09956	9.7
74.78040	2.2
77.03935	7.8
81.03445	2.0
83.72923	1.8
91.05470	6.7
95.04967	73.2
98.20833	3.5
103.04151	2.2
105.04538	12.6
118.06548	100.0
119.06889	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	1175.3245
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03409	5.0
83.04967	1.4
83.89225	0.5
85.02900	14.4
89.03906	5.3
91.05474	1.9
93.03397	1.7
95.04975	4.6
97.02869	2.8
98.20802	0.7
99.04451	0.9
103.05439	1.7
105.03395	1.2
105.04514	0.5
107.04262	0.8
107.04948	7.8
109.02863	4.7
111.00808	5.4
111.03688	1.0
111.04440	20.0
111.05207	1.1
115.05449	2.1
117.03371	3.0
117.07008	1.0
119.04931	2.3
121.02843	1.9
123.04423	76.1
124.04776	0.9
127.03912	80.4
128.04280	1.2
129.05460	3.1
129.07014	0.8
131.04912	5.1
133.02844	0.9
133.06578	0.6
135.04410	79.3
136.04761	1.9
137.02350	7.2
137.03366	0.5
137.05898	1.2
139.03896	87.3
140.04221	1.3
141.06979	1.5
143.04942	1.5
145.02812	1.8
145.05005	1.0
145.06476	2.1
147.04405	9.8
147.06432	0.8
149.02342	7.3
149.05951	3.2
150.03149	0.7
151.03899	33.1
153.01813	0.8
153.05435	0.9
153.06973	1.0
155.03529	0.9
155.04901	3.1
157.06468	1.8
159.04411	4.7
161.02348	1.8
161.05952	4.9
163.03903	72.0
164.04279	1.6
165.01814	0.7
165.05484	4.1
167.03427	4.8
169.04950	2.4
169.06483	3.2
171.04372	1.2
173.02452	0.7
173.05986	7.6
175.03894	5.0
175.07581	0.8
177.01727	0.7
177.05440	7.5
179.03397	12.9
181.04941	4.0
181.06480	2.4
183.04398	3.2
185.05928	3.3
187.03883	10.6
187.07524	1.4
189.05450	4.9
191.03384	10.4
191.05086	1.0
191.07040	1.4
193.04945	5.9
197.05928	5.0
199.03922	0.6
199.07437	0.7
201.05467	14.0
202.05920	0.9
203.03392	15.6
203.07019	4.3
204.04001	0.5
205.04919	6.4
207.02890	2.4
207.06512	1.5
209.05899	1.5
211.03850	1.0
213.05507	6.2
215.03505	3.0
215.07040	3.6
217.04950	4.8
219.06386	3.1
221.06192	0.6
223.02299	1.5
225.05460	3.8
227.03369	1.3
227.07024	2.7
229.04948	17.3
230.05461	0.9
231.02969	1.2
231.06491	7.4
233.04395	4.9
237.05589	2.6
237.07495	0.7
239.06998	1.4
241.05019	5.2
243.06508	8.0
245.04451	28.3
246.04701	1.0
247.06017	92.2
248.06322	2.3
249.07568	1.1
251.05521	1.8
253.04916	4.3
254.05595	0.8
255.06450	6.5
255.08762	1.2
257.04440	18.3
258.05157	2.7
259.06012	20.8
260.06311	1.5
261.07571	8.8
263.05505	1.7
265.04913	3.3
267.06430	1.5
267.08737	1.4
269.04462	6.9
269.07660	1.0
270.04996	1.0
271.05991	45.2
272.06396	1.6
273.04468	0.8
273.07559	18.2
274.04669	0.9
274.07788	0.7
275.05466	9.7
276.05768	0.7
277.04950	0.6
279.06506	1.3
280.41418	0.5
281.04437	4.6
281.07590	0.9
282.05106	0.6
283.05978	23.9
284.06329	0.9
285.03961	0.9
285.07489	3.2
287.05472	23.8
288.05753	0.9
289.07056	100.0
290.07352	2.9
291.08652	9.0
293.04529	1.2
295.05969	6.6
297.03882	3.1
297.07507	2.1
298.04797	0.8
299.05475	8.8
300.06226	0.8
301.07034	19.6
303.08795	3.0
305.07965	0.9
307.05991	2.6
309.00604	0.6
309.03860	3.2
309.07590	1.5
311.05548	4.4
313.07040	8.9
315.08606	2.0
317.07877	1.0
319.06039	1.2
320.06186	0.6
321.03827	1.2
321.07532	1.5
323.05542	5.8
324.05994	0.7
325.06900	2.9
327.08737	0.6
329.06415	1.0
331.08170	6.3
335.05386	1.1
335.08990	0.5
337.07156	2.7
339.04770	0.6
339.08636	2.3
341.06461	1.2
345.07425	1.2
347.05322	0.9
349.07007	2.3
351.04886	4.7
351.08679	0.8
353.06570	1.2
355.08173	4.1
357.09619	2.4
361.06992	1.8
363.04660	0.6
363.08676	3.0
365.06494	5.8
366.07080	0.5
367.08102	4.3
373.06891	1.3
375.10858	5.3
377.06549	2.9
379.08087	7.0
381.09625	2.9
383.07526	5.7
389.06531	2.6
391.07813	5.6
392.08636	0.6
393.05862	9.8
393.10883	1.5
395.07602	6.3
397.09161	3.6
399.10645	3.3
401.06668	1.2
401.11874	0.9
403.08231	1.2
405.05783	4.2
407.07529	10.2
408.08145	0.7
409.09137	29.6
410.09555	1.4
411.10706	6.8
415.10339	4.0
417.06055	1.2
417.11606	6.3
419.07541	4.4
419.13287	2.6
421.08823	3.0
425.08542	6.8
426.09238	0.9
427.10263	28.0
428.10574	1.1
429.11942	0.6
431.07556	1.0
433.10220	3.2
435.12900	7.8
437.09131	2.9
437.13879	3.5
439.10294	2.8
443.07452	0.8
449.10202	0.9
451.12311	22.5
453.11719	5.2
454.12756	0.8
461.08768	0.9
463.12677	2.6
469.11334	2.8
475.10275	1.0
493.12997	1.0
517.11224	12.0
518.11530	1.0
519.12543	1.0
527.09723	3.4
529.11139	1.1
535.04297	0.9
535.12335	13.9
536.12909	0.7
537.13507	1.8
541.11084	1.4
543.12958	2.5
545.10553	5.4
547.12146	1.1
553.12799	1.7
555.14673	4.0
557.10394	0.8
559.12439	4.6
560.12708	0.7
561.13757	4.2
563.11829	1.1
569.12903	2.3
571.13318	3.3
573.15692	2.6
577.13580	7.2
578.13739	0.7
579.15033	17.0
580.16101	1.0
587.14203	3.0
589.14557	6.0
591.14777	0.9
597.17810	2.5
607.14264	0.9
613.15234	0.6
645.15765	1.2
673.13843	0.7
679.14362	2.4
697.15552	9.8
699.17487	0.9
707.15460	0.5
715.16711	8.6
723.16962	0.7
739.18677	3.2
741.20129	5.0
859.20624	4.1
861.21399	1.6
867.20471	2.6
877.21167	2.9
929.09143	0.7
1005.24646	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	114.0404
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.7
54.03458	3.2
55.01867	10.8
55.03793	3.7
55.05510	21.4
56.04789	1.1
56.05039	17.6
56.05834	1.4
56.96565	82.4
57.03435	12.4
57.04569	1.1
57.07052	1.3
58.02955	3.2
58.06602	8.0
58.99863	3.4
59.04997	9.0
60.04529	1.8
60.95846	3.9
61.02909	1.4
67.05490	1.8
68.04674	1.6
68.05029	25.0
68.05827	1.8
69.03426	13.8
69.07063	15.8
69.55959	9.4
70.06591	39.6
71.01334	2.4
71.04984	4.7
71.06924	5.5
71.95301	1.3
72.04508	4.6
72.08160	10.5
72.93785	41.0
73.02910	6.0
73.07664	5.5
74.04820	3.1
74.06080	13.9
74.97604	3.7
77.00895	8.5
78.52956	1.8
79.05492	7.5
80.05001	3.0
81.02760	1.4
81.03407	2.8
81.04523	3.4
81.05777	1.7
81.99997	2.2
82.01433	2.9
82.02915	1.2
82.04238	1.8
82.04872	12.3
83.00838	1.5
83.01330	5.1
83.04972	4.4
83.06097	3.7
84.05312	1.6
84.08139	14.0
84.96045	1.6
85.02902	8.1
85.07654	2.4
85.08488	1.4
86.06071	14.6
86.09695	5.3
87.04478	7.8
87.06390	1.3
87.09229	8.7
87.53426	1.4
88.02676	4.7
88.07632	4.6
90.01525	1.4
90.53100	1.3
90.94827	14.1
91.00514	23.1
91.02341	7.3
91.03227	1.4
91.53730	4.9
91.54264	2.2
93.53499	1.4
94.18887	1.1
95.01936	6.1
95.05054	1.3
96.04468	4.5
96.06399	2.4
96.08127	21.5
97.02872	5.3
97.06573	6.1
97.07644	12.4
97.08446	4.2
98.01280	1.3
98.06039	5.3
98.21503	1.4
98.97576	3.3
99.53477	2.1
100.01055	18.6
100.02460	46.5
100.54240	2.6
101.00805	4.1
101.02567	4.5
102.02339	2.6
102.51308	1.5
102.53114	2.9
103.02453	1.3
103.03157	1.4
105.00354	1.9
108.95862	7.2
109.02814	1.5
109.03490	1.4
110.01321	1.9
111.02936	8.6
111.51845	1.6
111.52962	1.5
111.53659	6.0
112.02808	1.8
112.07578	7.8
113.02374	3.0
113.96458	2.4
114.02670	8.6
114.03905	2.5
114.05531	31.1
114.06669	5.0
114.07437	10.9
114.09164	100.0
114.10308	9.1
115.02382	1.6
115.03922	15.4
115.08678	9.8
115.09471	2.1
116.00240	1.3
116.98619	4.7
118.03518	66.7
119.00153	1.3
119.01919	24.6
119.03606	4.9
120.02053	3.1
120.03393	4.6
121.01646	4.8
121.03442	2.7
123.01407	1.7
123.04096	3.5
131.00212	1.2
131.01898	14.2
131.97404	5.9
132.01994	4.7
132.05063	1.5
133.01671	2.3
133.03479	4.3
134.99615	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	1127.5195
Annotation	Unknow
Peak:m/z	Relative Intensity
81.07010	0.2
148.46031	0.2
231.70515	0.1
261.95920	0.1
313.27353	0.6
347.88223	0.1
364.80002	0.1
396.12427	0.2
397.13028	0.7
398.13651	0.3
399.14209	0.2
400.14893	0.2
408.11865	0.1
409.13098	0.3
410.13608	0.8
411.14578	2.6
412.15231	2.4
413.16040	1.6
414.16147	0.2
423.14914	0.8
424.11124	0.6
424.16153	1.3
425.16339	5.4
426.16800	4.7
427.17389	1.6
428.18427	1.1
429.18356	0.3
433.84845	0.1
436.15686	0.2
437.16183	0.6
438.13022	1.2
438.17294	0.9
439.13550	9.1
440.13766	1.2
440.19232	3.7
441.19287	22.7
442.19562	3.0
443.19476	1.4
451.13312	0.3
451.18079	0.5
452.13934	1.7
453.15262	10.9
454.15836	3.7
455.15692	1.1
456.16599	0.2
457.15164	0.5
458.15833	0.5
463.13712	0.6
464.14496	0.1
465.15619	0.6
466.11520	0.2
466.17337	0.7
467.17136	17.6
468.17865	9.4
469.18723	9.6
470.18954	1.5
471.16806	1.0
472.17587	0.6
477.15604	0.2
478.16144	0.2
479.17343	0.3
480.17566	0.6
481.14758	10.7
482.15356	2.9
482.21356	0.4
483.14828	0.9
484.15439	0.2
485.18506	0.8
486.18677	0.4
487.19385	0.3
493.16623	0.2
494.17355	0.5
495.16125	3.8
496.17108	8.2
497.17761	3.0
498.18097	0.9
499.19180	0.8
500.16257	0.2
508.19977	1.0
509.18246	1.7
510.19748	0.4
511.18707	0.2
512.20966	0.8
513.20715	0.5
514.22522	2.3
515.22156	0.2
522.17688	0.9
523.19452	1.1
524.20575	0.3
525.18884	0.3
526.19434	0.2
527.23450	2.1
528.23273	0.6
536.19366	0.4
537.19098	0.6
538.19629	0.3
539.19580	0.3
540.19812	0.4
541.21002	0.3
542.21466	0.9
545.23602	0.4
551.19531	0.1
555.22388	23.4
556.13885	0.2
556.22662	3.1
557.22784	2.0
567.18848	0.2
568.19507	0.3
573.23138	0.2
583.21875	66.5
584.22137	9.3
585.21948	5.6
586.21045	1.0
587.25305	1.4
600.21747	0.3
601.22968	0.2
611.21252	1.4
614.23773	1.0
615.24542	4.9
616.24567	0.4
617.24603	0.6
628.21582	0.2
642.23212	3.1
643.23920	100.0
644.24182	9.8
644.35559	0.2
645.24030	8.2
646.23785	0.3
1029.07043	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	112.0509
Annotation	cytosine
Peak:m/z	Relative Intensity
51.80017	0.4
53.03949	1.7
54.03469	0.6
55.01879	0.9
55.05512	1.7
56.05039	1.8
56.96563	69.8
57.03437	2.5
57.04560	0.5
57.16428	0.4
58.06597	1.8
59.52161	0.5
60.04527	0.7
60.95846	0.5
62.32368	0.4
67.01866	0.9
67.02969	0.9
67.05496	1.5
68.05032	1.9
69.03432	2.6
69.04548	5.1
69.74489	1.0
69.74910	1.9
70.02950	9.2
70.06590	4.0
70.94231	0.8
70.95868	0.6
70.98116	1.6
71.04998	0.7
71.94094	4.6
71.95266	2.4
72.04506	0.8
72.52954	0.5
73.05292	0.7
74.97606	1.1
75.01032	1.1
76.51592	0.8
77.00810	0.4
79.01857	1.4
80.52703	1.4
81.03410	7.0
82.01428	1.0
82.06561	0.9
83.04980	1.2
83.06116	2.3
84.01559	1.8
84.04506	5.5
84.08139	1.8
84.96018	1.4
85.02916	1.2
85.04039	0.4
85.07666	0.5
86.06064	2.1
86.21992	0.4
86.51830	0.8
86.52718	1.0
87.53507	0.7
88.01830	0.5
88.02375	1.8
88.51575	2.8
88.95289	0.7
88.99150	0.8
89.00246	2.7
89.00780	1.1
89.52346	0.7
89.53280	0.4
90.01554	1.5
91.02338	0.6
94.04070	2.1
95.01369	1.1
95.02452	18.8
95.04974	0.5
95.06087	6.8
95.52335	0.5
96.00853	4.9
96.08104	0.8
97.01020	0.5
97.02319	0.8
97.02908	1.3
97.52089	6.3
97.99194	2.8
98.00760	4.0
98.01302	4.0
98.03120	0.8
98.04012	0.5
98.51053	1.2
98.52859	1.9
98.97573	4.9
99.02082	1.3
100.02473	4.4
101.00809	0.7
101.03120	0.7
101.52388	0.5
101.53204	0.8
102.02244	0.5
102.50115	0.4
104.01283	0.5
106.52609	0.8
107.00237	0.7
107.01826	0.7
107.03661	0.5
107.51598	0.9
109.00489	1.0
109.02876	18.1
109.07654	0.5
110.01261	1.9
110.03646	1.9
112.05087	100.0
112.07622	3.6
112.08763	2.1
112.09467	0.8
112.11240	1.2
112.99117	0.5
112.99931	0.5
113.02359	9.2
113.03485	22.8
113.05403	1.2
113.06087	0.7
113.07113	1.7
113.10809	0.5
116.00220	1.5
116.98602	5.0
117.95982	2.2
118.01054	0.8
118.03489	3.2
119.01886	2.3
128.98637	0.7
131.00166	0.7
131.01892	0.7
132.05066	0.6
134.01202	0.6
134.99658	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	112.0508
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.5
54.03476	5.4
55.01871	2.5
55.05290	0.5
55.05509	5.2
56.05041	2.7
56.05843	1.4
56.96564	18.3
57.03432	3.1
57.07093	0.4
58.06594	2.8
59.05005	1.3
65.03938	1.3
66.04269	0.7
67.01859	2.8
67.02995	0.7
67.05503	6.2
68.01385	0.9
68.05025	3.0
68.99793	0.8
69.03429	14.2
69.04551	6.0
69.07074	1.5
70.02941	3.2
70.03736	0.5
70.06593	10.8
70.94247	1.0
70.98099	0.5
71.03005	0.6
71.04988	3.6
71.06936	0.6
71.59113	0.7
71.94099	1.8
71.95258	0.8
72.04556	0.5
74.97598	0.8
77.00868	0.6
79.01851	0.9
80.52713	2.6
81.03441	3.1
81.04539	16.1
81.33002	0.4
82.06596	1.1
83.04977	7.9
83.06089	2.5
84.04517	2.9
84.05312	2.1
84.06417	1.1
84.08140	6.3
85.02905	2.0
85.04047	0.5
85.06560	2.3
85.07670	0.8
85.53741	1.2
86.06068	2.1
88.00534	0.6
88.02374	0.7
88.50356	0.7
88.99174	0.5
89.00255	4.5
89.00760	1.0
89.03456	1.2
89.80549	0.4
90.00135	0.8
90.01585	0.8
91.53731	0.8
93.95349	0.4
94.02994	0.5
94.04049	2.6
94.06570	2.2
95.01344	5.6
95.02450	18.1
95.04951	3.2
95.06082	5.8
96.00851	1.7
96.04492	0.5
96.08133	1.8
97.00978	0.6
97.03975	0.4
97.52126	1.0
97.99172	0.9
98.00769	8.5
98.01322	1.0
98.03985	1.8
98.04799	0.5
98.08413	0.5
98.50838	0.8
98.52820	1.0
98.97574	1.8
99.00641	0.4
100.02471	4.9
100.51040	1.2
100.54253	1.3
101.00925	0.5
101.02593	0.5
102.02263	0.5
107.00191	0.7
107.01295	0.6
109.02893	1.5
109.54802	0.8
112.04028	7.6
112.05094	100.0
112.07603	31.4
112.08783	1.6
112.09562	1.2
112.99198	1.0
113.00021	36.7
113.02364	57.2
113.03490	8.5
113.05419	0.9
113.06031	5.0
113.07122	10.7
113.07899	0.8
113.10800	1.3
116.00262	0.9
116.98631	2.6
117.95984	2.1
118.03527	5.7
118.74960	0.5
118.96785	1.0
119.01920	2.8
119.03615	0.8
127.04373	0.5
129.03961	1.5
131.01036	0.6
131.01935	1.4
133.03551	0.9
134.99661	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	109.1015
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04490	0.9
53.03949	5.6
55.01855	1.0
55.05510	8.8
65.03937	4.0
65.11655	0.8
67.05503	100.0
68.05834	1.4
69.07064	5.0
70.62536	1.9
79.05495	7.5
80.52349	1.0
81.03424	9.1
81.07056	28.6
83.06097	1.5
86.50599	1.6
87.00465	11.5
91.05469	3.3
94.04191	4.1
95.01202	1.2
96.00998	3.1
98.51260	2.8
107.04945	1.8
107.08589	3.3
109.02898	1.6
109.06512	11.1
109.10155	79.6
110.06061	3.0
110.07157	5.5
110.10510	2.7
113.96385	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	1110.626
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05060	0.3
79.05492	3.4
81.07050	14.4
82.07361	0.3
83.04959	0.6
83.08138	0.2
83.08617	4.5
83.47224	0.2
85.06537	0.4
85.10146	0.2
91.05479	2.6
93.07039	4.4
94.07366	0.2
94.39219	0.1
95.04948	0.5
95.08601	11.5
96.08927	0.6
97.06516	1.0
97.10166	2.3
98.06039	0.2
98.21456	0.3
98.98431	0.2
99.08091	0.4
105.07019	2.1
107.08596	2.9
109.06506	0.2
109.10149	5.2
110.10487	0.2
111.08067	0.6
111.11708	0.5
119.08574	1.9
120.08878	0.2
121.10144	2.2
123.08059	0.3
123.11703	2.2
124.01611	0.4
125.09594	0.4
133.10117	2.4
134.10445	0.2
135.11696	1.3
137.09607	0.2
137.13208	0.9
139.11166	0.2
147.04393	0.4
147.11673	1.4
149.13269	0.9
151.11189	0.2
151.14787	0.2
153.12698	0.2
159.39038	0.1
161.13260	1.2
163.14828	0.5
166.36610	0.1
175.14833	0.7
177.16437	0.2
179.14291	0.2
193.15817	0.2
198.05231	0.3
216.06326	0.6
245.22667	0.3
263.23721	0.9
278.87561	0.1
306.27878	1.7
307.28061	0.2
310.63416	0.2
337.27341	100.0
338.27664	11.2
339.27945	2.1
460.28223	1.2
461.28732	0.3
478.29272	8.5
479.29617	1.0
480.29858	0.3
539.63336	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1015
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
53.03944	3.8
55.05507	9.5
62.47998	0.7
65.03944	2.3
67.05501	100.0
68.05827	2.2
69.07065	7.2
71.06289	1.2
71.06616	0.9
72.93770	0.9
78.55228	0.6
79.05484	6.0
80.06283	0.8
81.03415	7.7
81.06577	1.6
81.07054	31.9
82.07386	0.7
87.00468	10.1
91.05479	1.1
94.04179	1.4
94.07823	1.9
96.00979	1.9
107.08619	4.4
109.02914	1.2
109.06493	4.2
109.07636	1.6
109.10150	80.5
110.06050	1.2
110.07147	3.8
110.10461	3.6
110.70392	0.7
113.96377	4.8
126.62969	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1015
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.3
55.05513	7.4
55.13288	0.7
65.03951	3.8
67.05502	100.0
68.05846	2.1
69.04539	1.9
69.07069	5.0
71.07662	2.2
72.93782	1.1
77.99921	1.2
79.05493	6.3
80.06242	1.4
81.03417	8.7
81.07053	36.0
82.07404	1.5
83.30236	0.7
86.00683	1.9
86.50604	1.7
87.00462	12.5
91.05457	2.9
94.04192	2.5
96.00988	3.9
98.01409	1.1
98.51237	4.2
107.04993	1.0
107.08597	3.3
109.02870	1.9
109.06512	9.2
109.10151	85.6
110.06039	3.0
110.07176	6.9
110.10480	4.4
112.96736	1.2
113.96397	8.1
116.89626	0.7
129.97972	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1015
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.6
55.01870	1.0
55.05503	10.3
65.03934	4.9
67.05504	100.0
68.05024	2.5
68.05820	2.0
69.04559	1.3
69.07069	6.2
70.99222	1.4
72.93806	1.2
79.05495	8.2
80.06265	1.4
81.03422	11.1
81.07057	32.5
86.00723	1.6
86.50609	2.4
86.99919	1.4
87.00463	27.0
91.05466	3.9
91.13010	0.9
94.04178	3.9
94.07827	1.3
96.00982	3.8
98.51270	6.2
107.04951	2.1
107.08592	4.2
109.02875	3.4
109.06511	13.4
109.10156	80.4
110.06058	6.3
110.07197	6.0
110.10494	3.0
113.96415	10.8
127.76561	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1015
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
53.03939	5.1
53.04510	0.5
55.05515	8.2
60.47046	0.4
65.03934	3.7
67.05503	100.0
68.05074	0.5
68.05833	1.9
69.04521	0.5
69.07065	5.4
71.20347	1.1
79.05486	9.4
80.05830	0.5
80.06287	0.8
81.03422	11.1
81.07053	33.2
82.03748	0.5
82.06599	1.1
82.07386	0.7
86.50639	1.0
87.00465	10.1
91.05475	2.1
94.04186	1.7
94.07791	1.0
96.00983	2.4
98.51232	1.2
107.04961	1.2
107.08601	4.7
107.20998	0.5
109.02852	2.5
109.06514	12.1
109.07660	1.7
109.10152	87.5
110.06035	1.5
110.07153	1.7
110.10486	3.4
113.96420	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	109.1014
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
51.86817	0.7
52.46051	0.7
53.03942	8.2
55.01870	0.9
55.05511	9.4
64.36687	0.7
65.03942	2.5
67.05503	100.0
68.05016	2.1
68.05836	2.5
69.04580	1.3
69.07063	4.7
70.69223	1.6
79.05483	7.2
80.06261	0.8
81.03419	16.0
81.07054	32.6
82.06572	1.4
86.00677	0.9
86.50616	0.8
87.00464	8.3
91.05461	2.1
94.04192	2.0
94.07832	1.6
96.00976	3.1
96.17188	0.6
98.51310	0.6
107.08578	4.1
109.02892	4.0
109.06523	8.6
109.07653	3.3
109.10152	61.3
110.06042	3.1
110.07162	4.1
110.10497	2.5
113.96388	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	109.1015
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
53.03938	1.2
53.28604	0.9
55.05513	9.2
58.02701	0.9
65.03941	2.8
65.64037	0.9
67.05505	100.0
68.05848	2.0
69.07066	5.2
70.26859	0.8
71.44860	1.8
79.05486	6.3
80.06294	1.0
81.03419	1.5
81.07061	28.0
91.05518	1.3
93.26634	1.1
93.84408	0.9
94.07847	1.3
107.08592	4.1
109.10159	63.9
110.06053	1.5
110.10430	2.1
113.65426	0.9
118.67675	0.9
127.01151	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1015
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
50.52290	0.7
51.66330	0.6
51.89365	0.8
53.03957	1.4
55.05506	8.4
59.80939	0.9
65.03949	2.6
67.05504	100.0
68.05843	2.3
69.07064	6.6
70.13880	3.5
75.39545	0.7
75.42770	0.7
79.05476	7.0
80.06296	1.3
81.03404	0.9
81.07058	31.1
91.05487	1.1
97.10419	0.7
107.08588	3.1
109.06529	1.1
109.10156	66.4
110.10498	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	109.1015
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85611	0.5
53.03947	6.0
54.47533	0.5
55.05514	9.6
58.16047	0.6
65.03942	3.8
67.05505	100.0
68.05846	2.7
69.07066	6.9
70.91714	1.0
70.92056	1.2
74.92399	0.5
76.41488	0.6
79.05490	6.6
81.03419	8.4
81.07056	31.9
82.07391	0.7
86.00719	0.6
86.50622	2.1
87.00469	12.2
91.05489	1.5
94.04192	1.0
96.00986	1.9
98.51257	3.0
107.08604	4.3
109.02869	2.8
109.06525	5.1
109.10155	87.1
110.06042	2.2
110.07140	1.9
110.10477	4.0
112.96707	1.3
113.96365	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	109.1015
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
53.03951	5.5
53.29209	0.9
55.05514	10.4
56.71088	0.9
59.74820	1.0
65.03933	3.5
67.05505	100.0
68.05835	2.4
69.07062	6.2
70.99828	2.5
79.05491	7.9
80.06278	1.8
81.03417	11.4
81.07057	33.3
85.04865	0.9
86.50655	1.9
87.00466	3.8
91.05487	1.3
95.51151	1.2
96.00941	1.5
98.51258	1.2
107.08608	5.1
109.02901	1.5
109.06500	5.0
109.10161	70.8
110.06033	2.4
110.07179	1.9
110.10501	2.7
113.16759	1.1
113.96436	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1015
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22660	0.5
53.03942	1.5
55.05508	9.6
56.08598	0.5
64.90235	0.5
65.03944	3.2
67.05503	100.0
68.05842	2.7
69.07065	5.2
69.94424	3.0
79.05488	7.5
80.06268	1.1
81.03410	1.3
81.07053	31.5
82.07384	0.6
87.00467	1.3
91.05457	1.1
94.07806	1.6
98.51229	0.6
100.80560	0.5
107.08596	4.1
109.02866	0.9
109.06526	1.3
109.10152	59.0
110.10485	3.1
110.47535	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1015
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
51.93673	0.7
53.03944	1.7
55.05263	0.8
55.05513	8.9
55.93505	0.8
65.03931	3.4
67.05502	100.0
68.05035	4.7
68.05835	2.4
69.04557	5.1
69.07064	6.4
70.35416	1.8
70.35828	1.2
72.93796	2.8
77.99937	3.1
79.05488	7.5
80.06288	1.5
81.03416	2.1
81.07054	35.0
82.06574	1.1
83.06106	1.8
86.00672	4.0
86.50626	1.6
87.00462	47.9
89.50714	1.6
90.27433	0.7
90.94824	0.8
91.05469	2.3
92.43128	0.8
93.04542	0.9
94.04165	2.0
94.07790	1.3
95.01167	1.0
96.00980	12.8
97.51467	2.9
98.51244	25.1
107.04897	1.1
107.08561	3.9
107.51728	0.8
108.95844	1.1
109.06511	9.0
109.07654	9.5
109.10149	64.2
110.02032	6.4
110.06019	3.4
110.07167	22.8
110.10490	2.8
111.96863	2.2
113.96397	21.6
115.36422	0.8
127.56043	0.7
129.97913	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1015
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.8
53.45899	0.6
55.05510	9.2
65.03939	2.6
67.05501	100.0
68.05842	1.6
69.07067	6.0
70.57455	2.0
78.17663	0.6
79.05477	5.3
81.03409	1.9
81.07051	30.3
82.07354	0.8
87.00468	2.9
91.05476	0.8
94.07807	1.1
96.00980	1.1
107.08605	3.6
109.06504	2.0
109.10149	83.2
110.07150	0.7
110.10482	3.4
113.87909	0.7
113.96396	1.9
114.15189	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1015
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
53.03934	4.6
55.05513	9.4
56.39798	0.9
65.03934	2.7
67.05502	100.0
68.05025	1.3
68.05833	3.1
68.45383	1.0
69.04549	1.4
69.07072	5.0
70.32384	4.2
70.32751	1.7
79.05502	6.5
79.39059	1.0
80.06249	1.0
81.03409	6.8
81.07054	35.4
86.00683	1.2
87.00459	10.5
91.05463	3.2
94.04192	3.7
94.07841	1.4
96.00974	3.0
98.51257	1.8
107.04990	1.8
107.08609	3.2
109.06519	12.8
109.10152	79.8
110.06057	2.6
110.07140	3.5
110.10485	3.3
113.96392	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	109.1015
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
53.03943	1.6
55.05513	8.8
65.03938	2.4
67.05503	100.0
68.05846	2.7
69.07074	4.8
69.55579	0.7
70.07545	1.1
70.07912	3.7
79.05488	5.6
81.03412	1.3
81.07053	30.1
82.07388	0.9
87.00450	1.0
91.05444	0.7
94.07794	0.8
98.21398	1.0
107.08566	4.0
109.06492	2.9
109.10152	89.9
110.10490	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	109.1015
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
53.03942	5.9
55.05511	8.9
65.03926	2.6
67.05502	100.0
68.05830	2.9
69.04539	1.2
69.07066	4.7
69.93667	1.4
69.94073	3.8
71.01683	0.9
72.93781	1.2
79.05507	6.2
80.77923	0.8
81.03418	9.9
81.07053	34.1
82.06534	0.9
82.07383	2.0
82.90535	0.9
86.00688	1.3
86.50615	1.5
87.00456	16.7
91.05473	2.9
94.04189	3.2
94.07849	1.5
96.00990	3.7
98.51245	3.2
107.04883	1.3
107.08567	4.3
109.02905	2.2
109.06520	11.7
109.10152	81.8
110.06012	2.6
110.07182	7.0
110.10480	3.8
113.96402	7.4
128.32716	0.8
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
52.98162	0.5
53.03944	16.5
54.04230	0.5
55.01859	1.8
55.05507	3.0
56.05032	0.7
62.56522	0.7
65.03933	8.0
66.04684	0.5
67.05500	37.8
68.05026	5.0
68.05817	0.9
69.04549	1.2
69.07074	1.3
69.82519	2.0
69.82929	1.2
72.93782	1.0
79.05486	12.1
81.02921	0.9
81.03413	34.5
81.07051	38.9
82.03713	0.8
82.06565	3.3
82.07349	1.0
86.00697	1.9
86.50602	0.6
87.00455	13.0
90.94844	0.6
91.05473	24.0
92.04974	0.7
92.05805	1.2
94.04179	31.6
94.07836	0.8
95.04483	0.8
96.00967	4.3
98.21458	1.1
98.51250	1.9
107.04951	17.1
107.08569	1.5
108.05283	0.8
109.02876	6.2
109.06511	100.0
109.07592	10.1
109.10147	27.7
110.06027	3.0
110.07148	3.0
110.10495	0.8
111.04434	3.1
111.96846	0.9
113.96398	6.1
119.06079	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.0651
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	29.9
53.64495	0.8
53.66888	0.8
55.01858	3.2
55.05510	9.6
65.03936	10.5
67.05500	86.0
68.05029	9.9
68.05842	1.4
69.04543	3.6
69.07070	4.6
70.91089	3.0
72.93777	1.4
79.05489	20.2
80.05018	1.2
80.06290	1.0
81.03413	72.7
81.07050	56.7
82.03742	1.6
82.06579	7.8
82.07358	1.0
83.06118	1.0
83.94246	0.9
86.00694	3.2
86.50610	1.5
87.00459	26.8
91.05476	21.0
91.52192	1.0
92.04986	1.8
93.83292	0.8
94.04183	24.6
95.04991	1.3
96.00965	5.4
98.51274	2.6
107.04944	11.4
107.08587	3.5
109.02870	13.1
109.06512	100.0
109.07620	22.9
109.10145	63.5
110.06086	6.7
110.07217	8.7
111.04428	2.8
111.96857	1.5
113.96410	8.5
119.06042	1.1
121.03978	1.5
129.97839	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.0651
Annotation	4-Cresol
Peak:m/z	Relative Intensity
51.30915	0.3
52.79137	0.4
53.03942	5.3
54.04243	0.5
55.01854	1.0
55.05489	2.1
59.79876	0.3
65.03934	7.4
65.88605	0.3
66.04713	0.6
66.68719	0.4
67.05499	23.4
68.05010	1.4
69.04539	1.7
69.07049	1.3
69.95025	1.7
72.93776	1.3
74.99834	0.4
79.05489	10.2
81.03411	10.9
81.07050	35.5
82.06551	0.5
82.07380	0.8
86.00687	1.8
86.50603	1.9
87.00457	15.5
90.94878	0.4
91.05475	25.5
92.05806	0.6
93.38728	0.4
94.04176	33.1
95.04493	0.7
95.05012	0.5
96.00973	4.1
98.51245	3.6
107.04948	17.7
107.08595	0.5
109.02870	2.7
109.06509	100.0
109.10147	16.2
110.06033	2.0
110.07198	5.5
111.04427	3.4
111.96865	0.8
112.96706	0.7
113.96401	7.1
119.06053	1.7
121.03970	1.3
122.76395	0.4
129.97891	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1074.5879
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05488	3.8
81.07049	15.3
82.07374	0.2
83.04984	0.5
83.08612	4.7
84.08943	0.1
85.06536	0.5
85.10162	0.1
90.34509	0.1
91.05471	2.9
93.07035	4.4
94.40806	0.1
95.04974	0.4
95.08598	12.6
96.08942	0.2
96.09544	0.1
97.06512	1.1
97.10162	2.7
98.06072	0.2
98.21464	0.1
98.98455	0.4
99.08068	0.5
101.05999	0.1
104.15688	0.1
105.07019	2.3
107.07858	0.1
107.08585	2.8
109.06499	0.2
109.10146	5.1
110.10491	0.1
111.08067	0.7
111.11692	0.5
113.06035	0.1
113.09663	0.1
115.07586	0.1
117.07007	0.1
119.08567	2.0
121.09446	0.1
121.10130	2.3
123.08048	0.3
123.11703	2.4
124.01604	0.4
125.09613	0.4
127.11182	0.1
129.05537	0.1
131.08589	0.2
133.10121	2.2
134.25563	0.1
135.11679	1.4
137.09612	0.3
137.13239	0.8
139.11182	0.2
142.02684	0.1
147.11674	1.5
149.13255	0.7
151.11176	0.2
151.14778	0.3
153.12721	0.2
155.01050	0.1
161.13255	0.9
163.14780	0.6
164.32845	0.1
165.12762	0.1
165.16400	0.2
167.14268	0.1
173.02036	0.1
175.14813	0.7
177.16370	0.3
181.15935	0.1
189.16377	0.2
193.15907	0.1
198.05223	0.5
203.18005	0.1
216.06326	0.7
245.22679	0.4
263.23669	0.8
292.88129	0.1
306.27878	2.7
307.28012	0.1
337.27332	100.0
338.27686	3.5
354.87500	0.1
460.28131	0.9
478.29276	5.8
479.29404	0.2
685.08197	0.1
959.11627	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	Unknow
Peak:m/z	Relative Intensity
51.02376	0.6
53.03945	10.0
54.03465	0.4
54.04248	0.3
55.01860	1.2
55.05507	3.7
64.60639	0.3
65.03938	8.2
66.04697	0.5
66.20800	0.4
67.05500	36.4
68.05026	5.3
68.05840	0.4
69.04536	1.4
69.05807	0.4
69.07056	1.8
69.49415	2.8
72.93781	0.7
77.99950	0.4
79.05487	11.3
80.05032	0.4
80.05816	0.4
80.06262	0.6
81.03413	28.1
81.07050	36.2
82.03722	0.5
82.06577	3.1
82.07394	0.5
83.06097	0.6
86.00684	1.3
86.50597	0.6
87.00455	10.9
90.94838	0.4
91.05476	23.2
92.04990	1.1
92.05816	0.6
94.04181	30.2
95.04984	0.7
96.00986	3.5
98.51250	1.9
107.04953	15.4
107.08587	1.5
107.73499	0.3
109.02882	5.5
109.06512	100.0
109.07604	11.7
109.10147	23.0
110.06016	2.1
110.06944	2.8
110.10478	0.7
111.04433	3.6
111.96868	0.5
113.96396	5.3
115.05206	0.4
119.06037	1.6
121.03957	0.7
126.93399	0.3
129.97890	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0859
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02108	0.5
53.03944	1.7
65.03941	10.2
67.05507	2.0
71.19978	1.4
79.05492	13.7
80.05025	0.8
91.05479	100.0
92.05805	2.1
92.06272	2.2
95.04970	2.9
105.04520	0.7
105.07030	34.9
106.07392	0.8
107.04958	15.2
107.06094	1.0
107.08591	54.9
108.08174	0.6
108.08879	1.6
109.06516	24.6
119.06074	7.8
119.76056	0.7
124.05254	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1070.5579
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03910	0.2
79.05495	8.2
80.05808	0.1
80.06239	0.1
81.03412	0.1
81.07058	15.0
82.07386	0.1
83.04990	0.4
83.08617	1.7
85.06548	0.3
91.05482	4.1
93.07046	10.2
94.07378	0.1
95.04976	1.3
95.08607	13.0
96.08934	0.2
97.06533	0.6
97.10167	0.6
98.06065	0.3
98.98474	0.4
99.08104	0.3
103.05473	0.1
105.04511	0.1
105.07030	2.4
107.08595	4.9
109.06529	0.4
109.10157	5.0
110.10496	0.1
111.08087	0.3
111.11726	0.1
113.06028	0.1
117.07032	0.8
119.08579	2.2
120.65678	0.1
121.10143	4.3
123.08080	0.4
123.11712	1.4
124.01611	0.3
125.09643	0.2
131.08572	1.6
131.09518	0.1
133.10141	1.5
135.08037	0.1
135.11691	2.2
135.12704	0.1
137.09636	0.3
137.13266	0.4
139.11191	0.1
145.10129	0.9
147.11685	0.9
149.09607	0.1
149.13251	1.0
151.11182	0.2
151.14903	0.1
153.12759	0.1
159.11688	0.7
161.13301	0.6
163.11253	0.1
163.14847	0.3
173.02164	0.1
173.13274	0.6
175.14809	0.2
177.12790	0.1
177.16373	0.1
179.14439	0.1
181.12589	0.1
187.14738	0.3
191.14281	0.1
198.05252	0.3
201.16386	0.1
205.15915	0.1
216.06345	0.7
243.21124	0.2
261.22137	0.6
304.26355	3.5
335.25797	100.0
336.26141	3.1
336.30234	0.1
385.13202	0.1
388.62418	0.1
458.26740	1.0
476.27759	6.4
477.28027	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1073.313
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03896	0.2
79.05462	0.4
79.48068	0.1
81.03420	0.9
89.03391	0.2
89.03905	3.4
91.05470	1.1
95.04959	0.3
97.02882	6.6
99.04441	0.5
101.02361	0.2
103.05415	0.2
105.03370	0.2
105.06983	0.2
107.04941	1.1
109.02856	0.5
111.04455	0.2
115.05470	0.4
117.03365	3.7
117.06993	0.3
119.04932	1.6
121.02806	0.1
123.04417	10.0
124.05180	0.2
127.03892	0.8
128.06212	0.3
129.05438	0.3
129.06973	0.5
131.04900	0.4
131.08600	0.2
133.06453	0.6
135.04404	8.1
136.04756	0.2
137.05957	0.5
139.03894	0.7
141.01807	0.4
141.06950	0.9
141.30716	0.1
143.04901	0.2
144.05670	0.1
145.02829	6.7
145.06453	0.9
147.04401	5.7
147.08035	0.4
149.05966	0.4
151.03932	0.7
155.04878	0.3
157.06502	0.8
159.04378	0.3
159.08086	0.2
161.05974	5.2
162.06360	0.1
162.39316	0.1
163.03889	61.4
164.04227	1.1
165.01761	0.1
165.05466	2.4
169.06439	0.9
171.04477	0.2
173.05957	1.9
175.03894	4.0
175.07484	0.6
177.05472	1.3
181.04973	1.9
181.06433	0.3
183.02960	0.2
183.04398	0.5
185.05954	2.6
186.05418	0.2
186.93091	0.1
187.03938	0.3
187.07529	1.3
188.04628	0.3
189.05447	3.2
190.06140	0.2
191.07024	0.6
193.04915	0.2
197.05981	1.2
199.03929	0.3
199.07516	0.4
200.04686	0.4
201.05452	4.4
203.03395	0.3
203.07024	2.6
205.04968	0.3
207.06482	0.2
211.03815	0.8
213.05443	9.4
214.05888	0.3
215.03560	2.2
215.06995	9.3
216.07430	0.3
217.04941	5.9
218.05342	0.2
219.06516	0.9
225.05428	1.1
227.03413	0.1
227.06984	0.8
228.04164	0.1
229.04941	4.8
230.05421	0.1
231.03026	0.2
231.06511	2.2
233.04501	0.2
233.08163	0.2
237.05463	0.2
241.04962	1.0
242.05594	0.2
243.06512	16.3
244.03679	0.9
244.06889	0.5
245.04427	3.5
245.08096	0.5
247.06012	1.6
253.04912	0.8
255.02994	0.2
255.06464	0.6
257.04446	0.4
257.08194	0.2
259.06000	7.1
260.06406	0.3
261.07550	1.3
265.07111	0.3
267.06503	0.2
271.05994	11.9
272.03281	0.2
272.06491	0.4
273.04443	0.2
273.07523	1.4
277.07019	1.4
283.05893	0.9
285.07596	0.3
289.07034	100.0
290.07352	2.4
291.08646	0.3
297.03781	0.1
301.07068	1.5
303.08426	0.1
307.08038	1.1
309.09506	0.2
313.07132	0.4
317.06519	0.2
319.08075	0.8
325.09146	11.0
326.09454	0.2
331.08270	0.2
341.10147	0.7
351.08621	0.2
353.10382	0.4
365.10138	0.8
367.08051	0.8
369.09653	2.5
371.11230	0.3
379.08224	0.3
393.09946	0.2
395.11264	4.2
396.07919	0.6
397.09219	0.4
405.09790	0.5
411.10657	1.1
423.10599	2.2
425.12375	0.5
441.11765	93.1
442.12177	2.7
587.17896	0.2
603.17078	2.8
613.15491	3.1
747.20721	0.3
765.20160	56.5
766.20526	2.7
927.24908	0.7
1102.92615	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0859
Annotation	Ethylbenzene
Peak:m/z	Relative Intensity
53.03938	1.6
55.01880	0.8
65.03939	10.6
67.05501	2.9
70.60835	2.2
79.05495	17.9
81.06003	0.7
82.95869	0.7
91.05482	100.0
92.05788	1.8
92.06274	2.3
95.04963	3.3
101.00442	0.7
102.74405	0.7
105.04544	1.4
105.07030	34.2
106.07314	1.0
107.04953	23.3
107.08595	49.0
108.04552	0.8
108.08149	1.4
108.08908	1.4
109.06517	24.4
119.06081	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	107.0859
Annotation	Ethylbenzene
Peak:m/z	Relative Intensity
53.03929	1.8
60.06546	0.8
60.63612	0.8
65.03941	11.7
67.05492	2.8
69.26174	11.7
69.26514	1.7
69.93418	0.9
79.05491	19.1
86.78104	0.9
91.05480	100.0
92.05775	2.3
92.06300	2.4
95.04976	5.1
98.20606	1.6
105.07029	36.8
106.07375	1.1
107.04951	17.1
107.08589	58.3
108.08887	1.0
109.06509	23.8
119.06066	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	107.0859
Annotation	Ethylbenzene
Peak:m/z	Relative Intensity
53.03946	1.1
55.01862	0.5
55.05504	0.7
59.80794	0.3
65.03941	11.6
67.05507	3.2
69.84778	2.4
79.05489	14.9
91.05479	100.0
92.05795	1.8
92.06287	2.2
95.04970	2.0
98.21476	0.7
105.07030	32.9
106.04193	0.4
106.07362	1.1
107.04953	4.4
107.08589	40.1
108.08157	0.4
108.08906	0.7
109.06512	22.1
110.06873	0.5
112.06132	0.3
119.06055	5.5
124.05235	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0858
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.9
57.01931	0.7
65.03940	10.9
66.88844	0.6
67.05501	3.3
70.72607	0.6
71.23116	0.9
71.23480	1.5
79.05492	14.7
80.05028	1.0
91.05478	100.0
92.05784	2.0
92.06284	2.3
95.04972	2.7
105.07030	35.7
106.04150	0.7
106.07316	1.2
107.04951	10.4
107.06095	1.0
107.08593	52.2
108.08929	1.4
109.06514	24.7
114.31689	0.7
119.06067	5.5
124.05198	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0859
Annotation	Ethylbenzene
Peak:m/z	Relative Intensity
65.03937	11.2
67.05503	2.6
70.52501	1.4
70.52896	1.7
79.05493	12.1
91.05479	100.0
92.05783	1.6
92.06279	2.4
95.04939	1.5
105.07030	33.3
107.04952	2.8
107.08592	58.3
108.08883	1.3
109.06512	24.8
119.06076	7.2
124.05207	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0859
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03944	10.6
67.05495	3.1
69.41389	10.0
72.71880	1.0
79.05495	10.2
91.05479	100.0
92.05786	2.0
92.06293	2.1
95.04974	1.3
95.66379	1.0
105.07028	35.7
107.04948	3.4
107.08591	55.6
108.08910	2.9
109.06519	23.8
110.06860	1.1
119.06050	6.1
124.05206	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0858
Annotation	Unknow
Peak:m/z	Relative Intensity
59.07735	0.7
64.72936	0.6
65.03938	10.7
67.05512	3.4
71.04629	1.1
77.30242	0.5
78.23818	0.6
79.05492	14.1
91.05478	100.0
92.05801	1.6
92.06275	2.2
94.91948	0.6
95.04964	1.9
105.07027	34.1
106.07362	1.0
107.04957	5.8
107.08589	56.5
108.08916	1.7
109.06512	22.8
111.44198	0.6
119.06057	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	107.0859
Annotation	Ethylbenzene
Peak:m/z	Relative Intensity
53.03955	1.1
65.03656	0.9
65.03945	11.3
67.05493	3.9
68.88808	0.8
71.50961	0.8
79.05497	16.6
89.27824	0.8
91.05481	100.0
92.05798	2.4
92.06276	2.2
95.04971	1.1
105.07029	32.8
107.04946	2.6
107.08591	45.2
108.08902	1.8
109.06512	24.2
119.06051	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	107.0859
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.9
65.03937	9.2
67.05497	2.1
71.21679	0.8
79.05062	1.0
79.05490	12.0
86.56883	0.6
91.05479	100.0
92.05793	1.6
92.06269	2.3
95.04959	2.2
103.05432	0.9
105.07027	34.2
106.07407	0.9
107.04951	10.0
107.08591	52.7
108.08936	1.3
109.06516	22.6
119.00594	0.6
119.06065	6.8
123.94620	0.5
124.05202	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0858
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.5
53.95577	0.6
54.67882	0.5
57.85547	0.5
61.61400	0.5
65.03938	10.3
67.05499	3.9
68.26928	0.6
71.23670	1.3
79.05489	17.9
87.78838	0.5
91.05476	100.0
92.05790	2.1
92.06288	2.7
94.10003	0.6
95.04980	2.7
103.05471	0.5
105.04475	0.7
105.07027	35.5
106.07353	0.9
107.04953	10.8
107.08591	44.6
108.08920	1.5
109.06512	21.7
110.06832	0.7
119.06074	5.1
124.05221	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0859
Annotation	Ethylbenzene
Peak:m/z	Relative Intensity
53.03948	1.0
55.05520	0.8
65.03935	11.4
65.54719	0.5
66.62479	0.5
67.05502	4.9
70.71804	1.3
77.03908	0.6
79.05490	17.5
81.76549	0.5
90.13136	0.5
91.05476	100.0
92.05802	2.0
92.06301	3.0
95.04977	1.9
103.05479	0.6
104.19400	0.5
105.07024	34.9
106.07353	1.4
107.04970	2.2
107.08590	40.9
108.08925	0.7
109.06512	22.2
110.06866	0.6
119.06054	6.3
124.05249	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0495
Annotation	Aromatic aldehyde
Peak:m/z	Relative Intensity
50.01600	0.3
51.02371	0.5
53.03943	4.7
55.01865	1.4
65.03948	0.2
67.04234	0.4
67.05484	0.2
70.67484	0.2
70.67835	0.5
77.03927	1.1
79.05487	9.5
80.05014	0.9
81.03416	0.7
84.01538	0.3
91.05471	3.0
94.57954	0.2
95.04961	11.7
105.04507	2.3
105.07018	1.1
107.04948	100.0
107.08592	1.5
108.04543	0.4
108.05264	3.4
109.06496	0.7
123.89542	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0495
Annotation	Aromatic aldehyde
Peak:m/z	Relative Intensity
53.03944	6.7
55.01857	0.9
56.05023	2.1
65.03931	1.0
66.03463	32.4
67.02993	0.9
67.04235	3.2
68.05016	0.7
70.12199	1.9
70.12627	0.9
77.03920	0.7
79.05492	11.2
80.05022	9.8
80.05795	0.6
81.04548	3.0
91.05479	10.7
93.05790	0.9
95.04967	11.2
105.04520	2.5
105.07040	3.4
107.04953	100.0
107.06034	16.9
107.08585	4.7
108.04461	1.5
108.05576	12.1
108.06858	4.3
108.08112	4.6
109.06522	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0859
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03939	11.3
67.05503	2.3
69.47214	7.3
79.05495	12.4
84.38325	0.7
91.05480	100.0
92.05795	1.9
92.06304	1.8
95.04964	2.2
103.45859	0.7
105.06312	0.8
105.07033	33.1
107.04971	6.4
107.08591	53.7
108.08923	1.7
109.06516	21.4
119.06055	7.5
123.99958	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0858
Annotation	Ethylbenzene
Peak:m/z	Relative Intensity
53.03946	1.3
57.27253	0.7
65.03938	9.8
67.05509	2.1
71.23174	2.0
79.05488	16.5
79.84009	0.6
80.05007	2.0
85.35075	0.6
91.05477	100.0
92.05786	2.1
92.06261	2.4
95.04965	2.7
96.44438	0.6
105.07029	36.8
106.07329	1.0
107.04952	12.2
107.06062	1.6
107.08588	58.9
108.04491	0.7
108.08212	0.8
108.08905	1.8
109.06516	22.0
119.06055	6.3
124.05251	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0702
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
51.02383	1.2
53.03945	6.1
60.04520	2.3
62.60973	0.4
68.08321	0.4
70.79092	1.6
75.05611	0.6
77.03932	1.7
79.05489	36.8
88.07602	1.6
94.05225	0.6
95.04959	15.2
103.05460	27.1
105.04575	3.6
105.07025	100.0
106.07347	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0702
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.6
54.67419	0.8
60.08150	1.1
65.03608	1.4
65.03942	26.3
65.19900	0.8
68.08935	0.8
77.03928	1.6
79.05492	35.1
84.35722	0.8
95.04979	11.7
103.05475	21.0
105.04500	3.0
105.07028	100.0
105.11073	1.8
106.06608	1.5
106.07347	2.0
106.20426	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0702
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
51.02356	0.7
53.03939	5.7
54.40558	0.6
60.04520	1.7
60.95848	0.9
65.03931	2.7
69.79118	3.8
75.05601	0.9
76.03999	1.0
77.03933	1.0
79.05489	35.1
81.03401	1.0
81.41355	0.6
91.05436	1.4
95.04967	14.6
98.20843	1.0
103.05459	20.2
105.03392	1.3
105.04507	3.4
105.07026	100.0
105.11056	0.8
106.06572	1.7
106.07356	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	106.0655
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.6
54.82790	0.4
62.59606	0.4
65.03940	100.0
66.04273	2.0
67.05514	0.5
69.47148	3.4
69.82388	0.4
79.05493	3.4
82.26208	0.4
86.67676	0.4
91.05480	15.2
95.04991	1.2
105.04570	0.5
105.07036	6.0
106.06568	7.7
106.07317	0.7
107.04951	5.6
107.08595	8.4
107.25626	0.4
109.06507	4.1
119.06055	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	106.0655
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	0.4
63.10039	0.4
63.60651	0.4
65.03942	100.0
66.04288	2.0
71.58141	0.6
79.05496	1.2
80.43815	0.3
80.86607	0.4
90.29688	0.4
91.05485	2.9
95.04977	0.6
101.68356	0.4
105.07063	1.3
106.06561	8.2
107.04953	5.3
107.06927	0.5
107.08606	1.6
109.06583	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0702
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
51.02379	1.1
51.09262	0.7
51.97771	0.6
53.03947	5.4
54.04326	0.7
65.03931	1.4
69.82803	4.8
71.71145	0.8
79.05494	32.1
80.05798	0.9
95.04968	13.3
98.21481	1.2
103.05464	20.4
105.03394	1.2
105.04565	3.4
105.07028	100.0
106.06617	1.3
106.07362	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	105.0703
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
51.02374	1.2
53.03944	5.5
55.01180	0.5
60.95847	0.6
64.95537	0.7
65.03932	1.2
69.55561	5.1
77.03948	1.4
79.05490	30.8
80.05806	0.9
81.03429	0.9
95.04967	15.5
103.03186	0.5
103.05466	21.3
105.04550	3.4
105.07027	100.0
105.11061	0.9
106.07354	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	105.0703
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
51.02376	1.4
53.03952	6.4
56.45549	0.9
60.08166	2.3
61.08506	1.2
65.03946	45.3
69.64509	2.8
69.64921	3.0
77.03935	1.7
79.05496	27.6
80.07257	0.9
86.22859	0.9
87.81734	0.8
95.04974	14.7
103.05476	20.0
105.04568	4.9
105.07036	100.0
105.11073	12.6
106.06556	8.2
106.07368	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	103.0545
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	0.8
53.03945	10.1
53.67255	0.6
56.05027	2.0
56.96562	24.3
57.03434	0.7
57.05369	3.1
58.02948	1.0
58.06600	3.2
58.96156	2.0
59.06122	28.6
59.96164	0.8
60.02138	2.7
60.04518	6.1
60.08147	1.2
60.95845	3.1
61.04036	1.5
62.06073	2.5
63.39373	0.6
66.23565	0.6
67.51060	1.3
71.59345	0.8
72.04491	0.8
73.07679	1.8
73.92764	0.7
75.05595	1.5
76.51584	2.3
77.03915	1.8
79.01859	4.0
79.52032	3.1
80.01653	1.2
81.03423	1.1
85.02908	1.6
85.07655	2.8
86.02405	0.9
86.06062	6.8
87.04475	1.2
88.01610	1.2
88.02352	3.8
88.52555	4.6
90.02011	1.1
95.04964	23.5
97.02917	1.0
102.04686	3.1
103.04046	3.2
103.05462	100.0
103.08689	6.3
104.05799	2.7
104.10719	2.1
105.04520	5.0
106.25941	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	104.1074
Annotation	Choline
Peak:m/z	Relative Intensity
58.06597	3.3
59.07379	0.9
60.08162	34.7
61.08492	0.3
62.01725	0.1
69.03422	0.2
70.28718	0.3
77.16273	0.1
81.99282	0.1
86.06062	0.2
86.09689	0.2
87.04462	0.7
104.10740	100.0
105.10448	0.2
105.11065	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0702
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
51.02360	0.9
53.03946	5.3
60.95848	1.0
62.98294	0.7
65.03931	2.2
69.92410	3.5
77.03919	1.2
79.05490	33.5
81.68641	0.7
95.04967	13.7
97.76723	0.6
103.05463	19.9
105.04510	2.8
105.07026	100.0
106.06590	1.1
106.07352	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	103.0546
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	1.0
53.03947	11.7
56.05013	2.4
56.96564	27.5
57.03445	1.2
57.05364	3.1
58.02951	1.9
58.06596	7.3
58.96155	2.5
59.06122	41.2
60.02142	2.6
60.04520	8.1
60.08160	1.0
60.95838	2.2
61.04031	1.8
62.06076	4.3
64.03373	0.9
67.51050	2.4
68.01224	1.0
70.75124	2.5
71.69703	0.8
72.04519	1.0
73.07669	2.8
75.05600	2.2
76.51594	1.5
77.03912	2.1
79.01850	3.6
79.52026	3.2
85.02915	1.0
85.07674	3.0
86.06065	9.3
88.01608	3.0
88.02375	6.4
88.52554	4.1
95.04964	23.6
102.04684	3.2
103.04025	5.0
103.05466	100.0
103.08703	8.5
104.05809	2.5
104.10729	2.7
105.04498	5.3
106.42430	0.9
119.77071	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	101.0602
Annotation	2-Ethylacrylic acid
Peak:m/z	Relative Intensity
51.02380	0.9
53.00307	0.9
53.03944	29.3
55.01868	1.8
55.05509	83.4
56.05034	7.4
56.05846	1.1
56.96563	100.0
57.03431	2.5
58.02964	0.8
58.06590	3.1
58.50540	1.9
59.04998	6.7
59.06123	28.4
60.04521	3.3
60.95852	2.4
61.02924	1.7
65.03939	0.6
67.51062	10.1
69.04559	0.6
69.46574	1.5
69.46998	2.2
70.01318	2.4
71.01356	1.0
71.04990	38.4
72.08156	8.0
73.02918	1.5
73.06554	2.7
74.02431	0.5
74.06075	1.3
74.97609	1.2
76.51586	9.0
77.00952	0.6
79.01852	31.2
80.52685	1.0
82.01423	0.8
83.01395	0.4
83.04977	65.4
83.06062	1.6
84.04494	5.3
84.05318	1.4
84.06865	1.1
84.08128	2.7
85.02908	2.0
85.52100	0.9
88.02371	34.8
90.52656	3.2
97.02899	3.6
98.03979	0.6
99.53148	3.0
100.02485	3.6
100.54250	0.6
101.02437	1.8
101.06019	16.3
101.07101	4.3
101.07878	0.9
101.10753	0.6
102.02295	0.5
102.05550	0.7
102.09173	1.7
118.03503	2.3
119.01892	2.4
119.03683	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	101.0602
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	0.7
53.00288	0.6
53.03945	16.2
55.01868	1.0
55.05510	43.6
56.05034	5.9
56.05840	1.1
56.96564	100.0
57.03436	1.9
58.02966	0.6
58.06594	2.1
58.50542	2.6
58.99849	0.8
59.05001	3.4
59.06126	5.5
60.04534	0.9
60.95856	1.8
63.97438	0.4
65.52194	0.5
67.51065	12.7
70.01330	2.4
70.21512	2.2
71.01350	0.6
71.04989	21.6
72.08154	6.9
73.02931	1.0
73.06566	1.3
74.97621	1.0
76.51588	10.4
76.52015	0.8
77.00925	0.9
79.01854	29.4
80.49648	0.5
80.52698	2.6
81.52603	0.6
82.01427	0.9
83.04978	36.3
84.04495	3.7
84.08141	1.5
85.52115	1.4
85.53750	0.6
88.02374	36.1
89.03484	1.4
90.52634	2.7
91.30148	0.4
95.01982	0.6
97.02876	2.7
98.03997	1.1
99.53183	1.6
100.02483	8.4
100.54279	0.6
101.00899	1.1
101.02567	1.5
101.06010	8.1
101.07158	1.6
101.10771	0.6
102.05567	0.6
115.02444	1.0
118.03506	5.5
119.01915	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	997.3217
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01266	0.3
92.55801	0.2
107.01295	0.9
108.02095	0.6
109.02860	0.2
118.98000	0.7
133.02905	0.6
135.00850	0.5
137.02419	0.2
148.01599	0.7
151.00305	2.6
152.01025	0.2
161.02367	0.6
161.85814	0.2
163.00345	0.6
164.01115	0.4
169.01349	0.4
178.99840	2.6
187.03963	0.3
192.00639	0.3
199.03996	0.3
210.13428	0.2
215.03474	0.4
226.02782	0.9
227.03520	1.1
229.01524	0.2
243.03029	6.5
244.03650	0.6
254.02260	1.9
255.03036	19.0
256.03445	1.2
271.02542	43.6
272.02945	3.4
299.02164	1.2
300.02820	81.3
301.03296	7.2
302.03516	0.4
366.46918	0.2
415.06323	0.2
579.13684	100.0
580.14014	11.9
581.14142	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	995.3806
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01265	3.2
71.58071	0.4
72.99207	0.5
73.02837	1.0
83.01282	0.3
85.02843	1.1
87.00785	1.2
89.02340	2.4
101.02326	2.8
113.02359	1.9
115.03945	0.3
117.03374	0.6
119.03403	1.1
123.04423	0.7
125.02419	0.4
131.03406	0.6
132.02100	2.0
133.02882	32.6
134.03183	0.9
135.04453	14.7
136.04758	0.6
143.03445	0.8
153.05550	0.8
161.02391	93.6
162.02731	4.0
163.06009	0.3
166.11850	0.3
175.04050	0.4
179.03473	2.1
189.21176	0.3
195.13924	0.6
205.07176	0.8
249.07689	0.8
261.07690	0.4
304.47128	0.3
314.37595	0.3
315.10986	3.8
316.11414	0.5
357.92032	0.3
371.17258	1.7
440.23334	0.3
461.16800	4.1
487.14532	1.2
623.19946	100.0
624.20288	13.5
833.67767	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	995.6131
Annotation	Unknow
Peak:m/z	Relative Intensity
69.32552	0.5
69.32980	0.3
71.01266	0.1
78.95795	19.9
96.96858	1.2
98.19827	0.2
122.00064	0.2
130.98872	0.1
140.01120	2.3
152.99527	3.9
171.00603	3.0
171.02084	0.1
175.03366	0.1
196.03761	1.1
214.04851	2.9
261.22299	0.4
279.23343	100.0
280.23679	6.6
402.24631	0.4
476.27921	70.1
477.28253	6.4
633.92139	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	991.4052
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03346	0.1
71.01270	4.3
72.99205	0.1
73.02833	1.8
75.00782	0.1
80.54936	0.0
83.01276	0.8
85.02844	1.6
87.00766	0.3
89.02339	1.1
89.02891	0.1
91.05410	0.2
93.03357	0.1
95.01272	0.4
95.04941	0.2
97.02869	0.2
99.00797	0.9
101.02349	3.3
102.02682	0.1
103.18049	0.0
105.07024	0.1
106.04156	0.5
107.04995	0.1
108.02076	0.2
111.00763	0.0
112.01614	0.1
113.02353	2.1
117.03413	0.0
119.03423	0.3
121.02863	0.0
123.04435	0.8
125.02368	0.3
129.01874	0.1
130.04170	0.1
131.03407	0.2
131.04974	1.2
132.05756	2.4
133.06519	100.0
134.06844	4.6
135.04436	0.1
143.03441	0.3
148.05220	0.1
149.04442	0.1
159.02919	0.5
161.02528	0.3
161.04497	2.1
162.02693	0.0
162.04819	0.1
163.07649	0.1
164.04723	0.1
179.03645	0.0
179.05597	0.1
179.07182	0.1
191.05486	0.1
203.05566	0.7
205.03587	0.1
217.08710	0.2
249.15137	0.1
315.18188	1.1
316.18524	0.1
337.13007	4.4
338.13321	0.4
347.26767	0.0
447.16016	0.1
447.22446	3.6
448.22821	0.4
477.23456	0.4
609.27759	19.3
610.28131	2.8
701.56396	0.0
811.28827	0.0
945.81165	0.0
991.35297	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	991.5294
Annotation	Unknow
Peak:m/z	Relative Intensity
69.79730	0.1
70.60522	0.1
70.60876	0.2
71.01250	0.3
73.02895	0.1
74.31464	0.0
85.02831	0.1
87.00748	0.1
89.02343	0.3
93.03307	0.1
101.02338	0.4
113.02386	0.1
117.03377	8.9
118.03654	0.2
119.04942	50.5
120.05268	1.9
121.02875	0.8
123.04443	0.3
125.02368	0.1
133.02866	0.2
134.03633	0.1
137.80925	0.1
139.11227	0.6
143.03432	0.1
145.02884	50.6
146.03227	1.8
147.04443	0.1
151.11150	0.1
161.04559	0.1
162.03148	0.4
163.03955	5.6
164.04289	0.2
167.10719	0.2
169.12280	1.2
170.12753	0.1
179.05573	0.1
235.08194	0.2
277.21780	1.1
278.22107	0.1
299.61234	0.1
305.08807	0.1
315.16061	100.0
316.16382	8.6
397.08398	0.1
397.13608	2.4
398.13831	0.1
402.17981	0.1
415.14709	0.7
675.36523	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	991.5823
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01270	0.3
78.95794	7.8
83.04916	0.2
96.96885	0.1
115.37588	0.1
122.00055	0.3
127.07610	0.2
140.01126	2.6
145.02905	0.2
152.99495	0.9
161.02371	0.2
166.17815	0.1
171.00648	0.1
194.16077	0.1
194.47749	0.1
194.63162	0.1
196.03802	1.1
214.04857	3.7
233.15411	0.1
233.22736	0.5
259.20679	0.5
275.20233	0.6
277.21777	100.0
277.89923	0.1
278.22125	7.2
474.26361	66.4
475.26678	6.3
520.79895	0.1
532.34625	0.1
722.91907	0.1
812.80194	0.1
984.95367	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	992.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03339	0.5
71.01273	7.7
71.15552	0.4
71.59373	0.7
72.99190	1.2
73.02837	2.5
83.01285	1.2
85.02840	3.6
85.99991	0.6
87.00788	3.1
89.02341	3.9
93.03334	1.1
95.01291	1.1
96.95882	0.7
97.02876	0.6
99.00778	1.6
101.02344	6.7
103.03931	0.8
105.03381	1.5
109.02861	2.0
111.00774	0.7
113.02358	3.2
115.03887	0.6
117.03369	1.5
118.49501	0.5
119.03419	1.8
119.04913	0.8
121.02861	1.0
122.02385	0.5
122.03634	0.7
123.04452	1.8
125.02391	3.4
129.98654	0.5
131.03482	2.5
132.02077	2.7
133.02882	34.6
134.02379	1.6
134.03755	2.6
135.04445	33.8
136.04774	1.6
137.02390	1.6
143.03455	0.5
145.02849	1.4
146.96010	0.5
147.04456	1.3
148.05228	0.8
149.02383	1.4
149.05998	3.4
150.02039	0.7
150.03157	18.2
151.03867	1.6
161.02386	100.0
161.04556	3.0
162.01686	1.1
162.02962	3.6
164.03433	0.8
174.03099	0.9
175.03947	6.4
177.01884	1.0
177.05519	6.9
179.03461	33.0
180.03029	2.2
180.87953	0.8
181.05116	0.6
198.04054	0.8
203.03493	14.3
204.03760	0.6
205.05026	1.7
215.27847	0.5
217.05106	0.6
221.04529	7.0
221.06633	2.0
227.03371	0.6
244.03922	0.9
245.04623	2.6
251.05664	5.6
281.06699	8.6
282.07126	0.6
323.07697	1.3
325.09454	0.7
341.08624	1.3
383.09906	15.9
384.10248	1.7
413.10568	0.5
461.16815	0.8
498.24127	0.5
587.14783	0.6
605.15576	0.9
621.19775	1.3
623.21545	0.7
631.18774	1.4
649.20282	1.0
668.20453	4.5
783.23712	8.0
784.24353	1.2
793.21991	0.9
810.22601	0.7
811.23279	11.4
812.23486	2.8
813.26556	1.2
830.23779	17.2
831.23602	2.2
945.26996	12.1
946.27441	4.8
992.27020	50.4
993.27216	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	990.4941
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03349	1.2
71.00896	1.2
71.01275	21.5
71.58473	0.9
72.99181	1.6
73.02830	2.9
80.02582	1.0
81.03345	3.2
83.01272	2.2
83.04908	2.9
85.02835	6.3
87.00766	4.4
89.02340	17.2
93.03354	0.8
95.01311	1.6
97.02843	10.7
99.00774	3.6
101.02350	15.2
107.04948	0.9
109.06503	32.2
110.03674	1.4
110.06798	0.7
113.02354	10.0
119.03448	4.2
121.06486	1.9
123.04407	1.2
125.02383	6.9
125.09608	0.9
130.00082	0.6
131.03429	0.8
135.08125	4.0
136.05225	1.6
141.01871	2.3
142.02649	2.8
143.03441	3.5
161.04488	5.1
161.09657	1.8
163.11230	17.4
164.11613	0.9
167.03493	0.6
167.62863	0.6
179.05576	8.0
179.10764	1.6
181.12311	4.9
189.09137	2.5
207.10254	100.0
208.10550	5.2
209.11818	3.9
221.06703	2.7
225.11328	45.5
226.11734	2.9
227.12871	1.0
235.08235	6.5
243.12415	1.4
259.08176	0.8
263.07867	0.8
277.21790	53.9
278.22195	4.1
281.13925	0.9
287.07837	2.0
299.15121	2.0
305.08908	2.1
321.08334	0.8
323.09998	2.0
379.12512	6.7
397.13593	43.7
398.14050	2.7
415.14685	16.1
587.23633	1.4
605.24829	8.4
606.25085	1.0
623.25861	13.5
703.41119	1.0
865.46875	2.2
866.46899	0.9
883.47162	75.4
884.47589	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	991.3118
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03337	0.3
69.39875	0.4
69.40298	1.1
71.01270	5.0
72.99197	0.5
73.02833	2.0
73.10439	0.2
73.76829	0.1
75.00767	0.2
77.03847	0.3
81.03371	0.2
81.37034	0.2
83.01273	0.4
85.02832	1.9
85.99989	0.3
87.00770	2.1
87.04401	0.3
89.02338	3.0
89.03864	0.4
91.01777	0.2
93.03351	0.4
95.01286	0.4
95.04927	0.3
97.02871	0.2
98.19786	0.2
99.00770	0.5
99.04465	0.1
101.02345	4.1
103.03904	0.5
104.02572	0.2
105.03373	0.9
107.04952	0.4
111.00787	0.2
113.02361	2.3
115.01833	0.5
115.03923	0.2
117.03397	0.8
119.01287	0.8
119.03444	1.4
121.02864	0.5
123.04448	2.4
125.02374	1.3
129.01950	0.2
131.03442	1.5
132.02106	4.3
133.02882	54.2
134.03276	1.5
135.04449	16.9
136.04758	0.8
137.02325	0.2
143.03424	0.9
145.05028	0.3
147.00816	0.5
147.04485	0.2
148.01610	0.2
149.02386	2.7
149.04457	0.3
149.06030	1.6
150.03168	0.7
151.04039	0.2
153.05498	1.3
159.02905	0.2
160.01630	0.5
161.02391	100.0
162.02730	3.5
163.03951	0.4
163.06081	0.4
164.04733	1.9
165.01854	0.2
165.05438	0.3
175.00339	4.1
175.03957	0.5
176.01100	3.8
177.01808	0.4
177.05533	0.3
179.03467	5.4
179.05511	0.5
179.07097	0.6
180.03821	0.2
181.57800	0.2
189.01894	0.2
190.02692	11.6
191.03458	4.3
193.01358	0.3
195.06616	0.2
203.03543	0.3
203.05592	0.5
205.05058	9.0
205.07053	0.7
206.05536	0.3
208.03772	0.4
209.04527	0.5
215.94322	0.1
219.13676	0.2
221.06589	1.7
223.06145	1.7
227.03510	0.6
233.06729	0.5
255.03076	1.2
263.07657	0.2
265.07193	0.5
284.03302	2.0
285.03851	0.5
297.09860	0.4
311.11203	0.2
315.10968	1.3
399.08646	0.1
413.10959	0.5
427.12546	0.5
459.15433	0.3
461.16711	1.5
462.16486	0.2
477.16263	2.7
563.14270	2.0
564.14075	0.2
605.21155	0.6
623.22076	4.1
623.31720	0.2
624.22345	0.3
767.24524	0.8
785.25220	7.2
786.26019	0.6
799.27026	0.5
811.26361	0.4
815.25879	0.3
829.27936	8.3
830.28241	0.9
991.31073	46.7
992.31427	8.0
992.52063	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	990.4944
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03320	1.9
69.95119	3.7
71.01270	27.3
72.99205	1.9
73.02843	4.1
75.00776	0.8
80.02545	0.6
81.03352	4.2
83.01275	2.7
83.04911	2.4
85.02843	6.3
87.00778	6.4
89.02340	18.3
95.01294	2.1
97.02854	12.8
99.00800	4.6
101.02345	20.0
107.04915	1.6
109.02874	0.7
109.06498	29.8
110.03654	2.8
110.06893	0.7
111.00797	1.1
111.04424	0.8
113.02361	10.9
118.37941	0.6
119.03413	6.3
121.02898	0.8
121.06527	1.9
123.04444	1.3
125.02348	7.1
126.50661	0.6
127.16926	0.6
131.03413	1.4
135.08073	4.6
136.05237	1.7
141.01874	1.0
142.02661	3.5
143.03410	3.5
145.02896	0.7
161.04533	4.4
161.09668	1.6
163.11226	19.7
164.11560	0.7
176.10770	0.6
179.05574	5.9
179.10771	1.3
181.12277	5.4
189.09137	2.8
202.22549	0.7
207.10251	100.0
208.10635	4.6
209.11890	1.7
221.06699	3.1
225.11328	37.3
226.11684	2.2
235.08232	6.5
243.12378	1.8
248.85081	0.8
253.09358	2.2
263.07724	1.1
277.21777	73.1
278.22162	6.1
281.14142	0.8
287.07764	2.8
299.14954	0.7
305.08871	2.7
321.08197	0.8
323.09714	1.1
379.12515	6.7
390.19391	0.7
397.13583	57.8
398.13766	3.8
415.14639	13.8
416.14871	0.8
441.33798	1.3
605.24591	6.3
623.25830	6.3
675.36084	1.0
865.46698	1.8
883.47180	79.2
884.47583	18.0
1019.02008	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	989.3686
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03350	0.3
70.06635	0.5
71.01268	5.7
71.04905	1.4
72.99197	0.3
73.02833	1.7
75.00768	0.2
77.03869	0.3
81.03344	0.1
83.01280	0.5
85.02845	1.7
85.99993	0.4
87.00767	2.2
87.01274	0.2
87.04405	0.4
88.28038	0.1
89.02334	3.8
89.03870	0.6
95.01300	0.4
95.04935	0.1
96.95909	0.2
97.02867	0.4
97.06525	0.1
99.00784	0.6
101.02346	4.5
103.03940	0.7
104.02583	0.3
105.03358	0.8
107.04938	0.3
108.02050	0.1
109.02876	0.2
113.02355	2.1
115.01792	0.6
115.03932	0.3
117.03394	1.0
119.03410	1.3
121.02885	0.2
122.03654	0.1
123.04438	2.5
125.02384	1.4
126.02651	0.1
129.01836	0.1
131.03444	1.1
132.02094	3.4
133.02882	50.6
134.03149	1.8
135.04446	18.0
136.04779	0.6
137.02473	0.1
143.03406	1.0
145.04982	0.2
149.02406	0.2
149.06049	0.2
150.03125	0.2
151.04041	0.1
153.05513	1.4
159.02942	0.2
160.01579	0.2
161.02390	100.0
162.02736	3.4
163.03958	0.2
163.06067	0.4
165.05487	0.1
177.12781	0.2
179.03461	6.5
179.05508	0.6
180.03807	0.3
181.05006	0.2
195.06610	0.2
203.03595	0.2
203.05565	0.4
203.10735	0.2
205.07143	0.6
207.06696	0.1
221.06685	2.2
221.11732	0.6
228.85294	0.1
233.06676	0.2
240.04144	0.1
255.06766	0.1
261.07706	0.2
263.07764	0.2
270.08936	0.2
271.09650	0.1
297.09805	0.3
301.10599	0.1
315.10944	1.8
443.15906	0.2
459.15393	0.5
461.16724	1.5
462.17072	0.2
463.56335	0.1
477.16257	2.7
478.16504	0.3
518.63928	0.1
597.75098	0.1
605.20966	0.9
623.22046	5.5
624.22076	0.6
649.20441	0.2
767.24188	0.9
785.25269	14.9
786.25500	2.0
809.32172	0.1
827.33624	2.0
828.33990	0.3
989.36823	39.0
990.37115	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	982.5462
Annotation	Unknow
Peak:m/z	Relative Intensity
71.39571	0.5
71.63731	0.4
78.95795	16.7
96.96870	1.5
152.99527	16.0
153.00586	0.3
153.99937	0.4
161.93771	0.4
171.00610	2.3
227.03229	2.3
245.04327	2.2
275.20126	0.8
277.21777	100.0
278.22122	7.8
279.23386	1.5
346.42578	0.4
407.52405	0.5
476.28061	4.4
505.25851	95.3
506.26151	10.3
701.68262	0.5
767.07605	0.5
978.13043	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	989.2971
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01276	4.2
71.56612	1.4
73.02816	1.4
78.29243	0.9
85.02850	1.9
86.03983	0.9
87.00758	2.3
89.02339	1.7
89.24827	1.0
99.00793	1.2
101.02355	2.2
105.03409	1.2
117.03348	1.7
123.04377	1.1
125.02365	1.2
132.02084	3.5
133.02888	65.6
134.03189	1.0
135.04446	15.5
145.02818	0.9
147.04419	1.3
159.04492	1.9
161.02396	100.0
162.02754	3.5
173.02483	1.1
179.03467	5.7
191.05399	1.0
193.05080	1.2
206.42036	0.9
225.05632	1.1
229.05504	1.0
233.90295	0.8
237.05409	1.5
253.05148	1.5
255.06700	1.4
265.04947	2.0
281.04578	3.2
282.05399	1.5
283.06161	7.6
284.06555	1.2
290.20807	1.0
293.04855	1.3
296.06909	2.8
297.07690	3.1
298.08383	4.6
309.04288	1.3
311.09320	5.7
312.10019	2.4
313.10858	8.5
331.11591	1.0
339.08832	2.3
340.09430	1.1
399.10831	2.5
623.19916	2.0
685.91949	1.2
698.74622	1.1
827.26239	12.0
828.26385	1.8
869.46295	1.0
948.57635	1.4
989.29547	60.3
990.30023	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	989.3686
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03350	0.3
70.06635	0.5
71.01268	5.7
71.04905	1.4
72.99197	0.3
73.02833	1.7
75.00768	0.2
77.03869	0.3
81.03344	0.1
83.01280	0.5
85.02845	1.7
85.99993	0.4
87.00767	2.2
87.01274	0.2
87.04405	0.4
88.28038	0.1
89.02334	3.8
89.03870	0.6
95.01300	0.4
95.04935	0.1
96.95909	0.2
97.02867	0.4
97.06525	0.1
99.00784	0.6
101.02346	4.5
103.03940	0.7
104.02583	0.3
105.03358	0.8
107.04938	0.3
108.02050	0.1
109.02876	0.2
113.02355	2.1
115.01792	0.6
115.03932	0.3
117.03394	1.0
119.03410	1.3
121.02885	0.2
122.03654	0.1
123.04438	2.5
125.02384	1.4
126.02651	0.1
129.01836	0.1
131.03444	1.1
132.02094	3.4
133.02882	50.6
134.03149	1.8
135.04446	18.0
136.04779	0.6
137.02473	0.1
143.03406	1.0
145.04982	0.2
149.02406	0.2
149.06049	0.2
150.03125	0.2
151.04041	0.1
153.05513	1.4
159.02942	0.2
160.01579	0.2
161.02390	100.0
162.02736	3.4
163.03958	0.2
163.06067	0.4
165.05487	0.1
177.12781	0.2
179.03461	6.5
179.05508	0.6
180.03807	0.3
181.05006	0.2
195.06610	0.2
203.03595	0.2
203.05565	0.4
203.10735	0.2
205.07143	0.6
207.06696	0.1
221.06685	2.2
221.11732	0.6
228.85294	0.1
233.06676	0.2
240.04144	0.1
255.06766	0.1
261.07706	0.2
263.07764	0.2
270.08936	0.2
271.09650	0.1
297.09805	0.3
301.10599	0.1
315.10944	1.8
443.15906	0.2
459.15393	0.5
461.16724	1.5
462.17072	0.2
463.56335	0.1
477.16257	2.7
478.16504	0.3
518.63928	0.1
597.75098	0.1
605.20966	0.9
623.22046	5.5
624.22076	0.6
649.20441	0.2
767.24188	0.9
785.25269	14.9
786.25500	2.0
809.32172	0.1
827.33624	2.0
828.33990	0.3
989.36823	39.0
990.37115	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	975.3167
Annotation	Unknow
Peak:m/z	Relative Intensity
69.63524	0.1
71.01274	2.1
71.57448	0.1
72.99193	0.2
73.02839	0.5
77.03860	0.3
83.01272	0.1
85.02847	0.7
87.00791	0.7
89.02342	1.4
89.03867	0.6
91.01810	0.2
91.05415	0.2
93.03365	0.2
95.04935	0.2
95.76423	0.1
97.02847	0.2
99.00796	0.2
101.02353	1.6
103.03928	0.2
104.02581	0.3
105.03378	1.0
107.04971	0.3
109.02880	0.1
110.42284	0.1
113.02374	0.8
115.01822	0.5
117.03384	1.6
119.01284	0.7
119.03431	0.6
119.04915	0.7
121.02908	1.1
123.04449	0.7
125.01542	0.1
125.02367	0.6
131.03444	0.3
132.02095	3.9
133.02885	51.4
134.03406	1.4
135.04451	12.3
136.04715	0.3
137.02397	0.3
137.05997	0.3
139.03856	0.1
143.03429	0.4
147.00813	0.7
147.04489	0.3
148.01563	0.2
149.02380	5.9
149.06021	3.9
150.03113	0.6
150.06261	0.1
151.03891	0.3
152.13235	0.1
160.01622	0.4
161.02393	100.0
162.02733	4.1
163.03946	0.4
163.06056	0.2
164.03423	0.3
164.04747	3.8
165.01848	0.3
165.05328	0.3
175.00333	4.6
175.03958	0.4
176.01131	2.8
177.01831	0.4
179.03470	4.7
179.07106	0.5
180.03827	0.2
184.91023	0.1
190.02693	12.4
191.03448	3.4
192.04025	0.1
193.04968	0.3
194.02209	0.2
202.90894	0.1
203.03603	0.2
203.05728	0.2
205.05052	9.5
206.05460	0.6
208.03783	0.5
209.04509	0.6
221.06625	0.3
223.06133	3.8
233.06752	0.2
265.07294	0.4
299.11453	0.2
311.11438	0.6
353.12531	0.3
375.20267	0.2
413.10995	0.3
445.16983	0.2
514.01392	0.1
751.24646	0.3
769.25885	5.2
769.90717	0.2
770.26227	1.0
781.25635	0.3
795.26996	0.3
799.26917	0.7
813.28412	5.5
814.28558	1.1
975.31573	35.3
976.32001	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	976.5919
Annotation	Unknow
Peak:m/z	Relative Intensity
70.73180	0.3
70.73527	0.2
71.01266	0.2
78.95794	29.4
79.74147	0.2
96.96860	2.2
101.02357	0.2
115.97119	0.2
125.02288	0.2
149.60381	0.1
150.97984	0.4
152.99527	42.3
153.99866	0.5
171.00594	12.0
180.38850	0.2
193.91048	0.1
209.11824	1.4
227.03284	2.5
237.33661	0.1
245.04347	53.7
246.04652	1.4
253.21767	20.7
254.22083	1.1
277.21765	0.7
311.73868	0.2
338.11102	0.2
379.12460	0.2
397.13657	0.4
481.25818	100.0
482.26172	8.9
482.33441	0.3
772.62146	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	973.3738
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03379	0.2
71.01273	3.1
71.04905	1.7
71.28103	0.3
73.02853	0.8
77.03861	0.4
83.01277	0.4
85.02845	1.0
85.99973	0.2
87.00777	0.7
87.76067	0.2
89.02349	2.3
89.03850	0.4
93.03396	0.3
95.01295	0.4
95.04933	0.3
96.95944	0.4
97.02869	0.2
97.06524	0.2
98.65775	0.2
99.00764	0.2
101.02350	2.5
105.03346	0.8
107.04953	0.5
108.02083	0.2
109.02852	0.2
113.02354	1.1
115.01815	0.4
117.03365	1.8
119.03452	1.1
119.04939	0.6
121.02870	0.2
123.04468	0.9
125.02366	0.7
131.03441	0.7
132.02121	3.8
133.02887	49.3
134.03593	1.4
135.04454	14.9
136.01695	0.2
136.04790	0.5
137.02339	0.2
137.06024	0.3
143.03421	0.6
149.02405	0.2
150.03137	0.3
151.04001	0.3
156.47942	0.2
161.02397	100.0
162.02733	3.7
163.06073	0.3
165.05551	0.2
179.03461	6.2
180.03883	0.3
203.10733	0.5
205.07205	0.2
221.06738	0.6
221.11885	0.6
299.11429	0.3
403.08591	0.2
445.17340	0.3
452.45935	0.2
461.16803	0.3
513.43359	0.2
579.96918	0.2
589.20923	0.2
607.22534	0.7
769.25812	16.1
770.26135	2.5
973.37329	32.2
974.37634	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	975.2608
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01273	2.9
71.59064	0.4
73.02833	1.5
73.38614	0.4
83.01271	0.7
85.02838	0.7
87.00788	0.6
89.02335	3.0
93.03374	0.8
101.02340	3.0
102.02680	0.4
105.03410	0.4
105.10258	0.3
107.01289	0.9
109.02871	0.5
113.02370	1.0
117.03393	2.6
119.03426	1.7
119.04939	1.5
122.72956	0.4
123.04396	0.5
132.02078	1.9
132.05698	0.7
133.02884	22.3
133.06516	37.4
134.03206	6.1
134.06856	6.3
135.00833	0.7
135.03453	0.7
135.04427	9.3
135.07178	0.7
136.04774	1.9
145.02895	8.0
146.03163	0.4
148.05263	1.6
149.02420	0.6
149.06010	0.5
150.03151	0.5
151.00342	2.1
155.04948	0.4
159.04477	0.5
161.02388	60.1
162.02719	18.2
163.00333	1.2
163.02818	2.8
163.03996	0.9
163.07573	1.4
163.08809	0.4
165.01985	0.5
165.05626	0.4
169.01323	0.7
169.06577	0.5
171.04472	0.4
173.84866	0.4
176.08640	0.5
179.03488	0.7
183.04430	0.6
185.06046	1.0
187.03986	0.9
199.04013	0.7
203.05492	0.5
211.03995	1.3
212.04703	0.4
213.05475	1.0
227.03488	16.4
228.03897	1.5
229.05081	5.1
230.05225	0.8
239.03542	0.6
250.11789	0.5
255.03020	32.6
256.03647	3.8
257.04657	3.5
277.27554	0.4
284.00888	0.7
284.03314	44.3
285.04074	46.1
286.04517	2.6
307.08389	0.9
337.12997	0.4
339.08603	0.4
339.60049	0.4
447.09473	1.1
591.20959	19.7
592.21277	32.4
593.13196	100.0
593.21710	19.6
594.13531	14.9
594.21875	1.2
906.20215	0.5
945.57367	0.5
975.32990	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	973.6131
Annotation	Unknow
Peak:m/z	Relative Intensity
71.58023	78.4
85.02800	36.9
95.01169	36.4
103.49573	34.9
110.27760	35.2
133.54076	47.0
170.78526	40.1
191.04401	33.6
225.94095	39.9
255.23337	85.8
277.21777	100.0
278.34213	36.2
319.35172	35.3
386.21854	37.6
397.13406	69.0
426.40396	34.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	971.3577
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99724	0.3
71.01273	14.8
71.57651	0.3
72.99187	1.7
73.02827	0.5
73.91401	0.2
81.03340	0.5
83.01283	0.6
85.02847	3.8
87.00758	1.2
89.02336	16.7
93.03365	4.5
93.03922	0.4
95.01283	1.3
95.04935	0.3
96.95920	0.5
97.02859	0.4
99.00803	0.3
101.02351	7.9
102.14397	0.2
107.04952	0.5
108.02083	1.0
109.02882	1.7
113.02355	6.2
117.03396	0.7
119.03421	7.5
119.04916	0.3
120.01177	1.3
121.02871	6.2
121.06483	0.3
122.03658	14.7
123.00800	1.0
123.04472	1.4
124.01615	0.8
125.02385	0.8
131.03436	0.8
132.02139	0.6
133.02887	3.4
133.06573	1.3
134.03665	2.0
135.04492	1.7
136.01588	9.7
136.46011	0.3
137.02390	4.9
138.03114	0.3
139.03935	0.4
143.03461	2.0
145.02890	3.5
146.03680	3.0
147.04453	1.1
148.05197	1.3
149.02380	24.2
149.04472	0.9
149.06000	1.6
150.03168	100.0
151.00334	2.5
151.03958	21.4
152.01073	0.4
152.04445	1.0
153.01886	1.0
153.05525	0.4
159.04543	0.4
160.05238	0.5
161.02412	4.3
161.04514	1.9
161.06032	1.6
161.07286	0.2
162.03174	14.4
163.03973	2.9
163.07576	1.1
164.04747	5.3
165.01912	1.9
165.05524	87.4
166.02669	9.9
166.05835	3.1
167.03354	1.0
173.02499	0.4
175.03951	1.2
176.04694	0.4
177.01917	2.1
177.04031	0.5
177.05530	7.8
178.02612	0.7
178.06285	1.4
179.03506	1.3
179.05566	7.0
179.07103	5.0
180.02654	0.5
180.04247	7.4
181.05016	11.8
182.05374	0.5
184.03697	0.5
187.03976	1.1
190.02736	0.5
190.06203	0.3
191.03455	0.8
191.05545	0.6
192.04276	1.2
193.04971	0.9
193.08673	2.3
194.05713	0.3
195.06607	48.8
196.06941	2.1
203.03423	0.4
205.05034	2.4
206.05635	0.6
207.06575	2.0
217.71158	0.3
219.06616	1.2
220.07404	2.1
221.08067	0.4
225.07645	1.6
246.67288	0.3
267.02853	0.3
271.02499	0.3
299.02255	0.3
300.02658	0.3
314.07956	0.4
315.08722	0.6
325.07053	0.3
329.10358	0.9
339.08795	0.4
343.12122	0.4
355.11832	0.4
357.12027	0.9
371.11307	0.6
372.12106	0.7
373.12860	1.2
387.10739	1.4
387.15103	2.9
401.11960	0.3
402.13287	1.1
403.13992	0.9
416.14566	0.4
417.15668	6.8
418.16208	0.5
421.14981	1.1
471.17099	0.5
520.17535	0.4
535.18079	2.0
549.17548	0.4
550.18115	0.6
563.19122	0.8
564.20154	0.7
565.20898	12.2
566.21320	1.6
575.92517	0.3
577.20953	2.1
583.20612	2.5
595.22070	2.0
612.22217	0.6
613.22998	10.5
614.22961	1.6
619.21826	0.3
667.23669	1.1
690.40216	0.3
713.26306	1.3
714.25891	0.4
725.26190	5.5
726.26410	0.8
743.27325	1.5
755.26740	0.5
761.14764	0.5
761.28333	8.6
762.28528	1.6
773.28333	4.6
774.28394	1.0
775.28156	0.7
791.29388	3.1
792.29712	0.5
809.30499	17.4
810.31036	3.3
878.03632	0.4
923.34100	1.9
924.34955	0.4
953.33783	0.6
971.35931	3.1
972.35638	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	973.3369
Annotation	Unknow
Peak:m/z	Relative Intensity
69.56437	0.7
70.53645	0.1
70.88871	0.1
71.01269	3.9
72.99191	0.3
73.02834	1.4
77.03835	0.2
77.15029	0.1
83.01279	0.5
85.02844	0.8
87.00765	0.7
87.04421	0.2
89.02340	3.6
89.03848	0.2
91.05446	0.1
95.01279	0.2
95.04949	0.2
96.95926	0.1
98.20522	0.2
99.00763	0.2
101.02348	4.3
103.03951	0.1
105.03360	0.5
106.04184	0.2
113.02361	1.2
115.01836	0.2
115.03909	0.2
116.93969	0.1
117.03388	1.2
119.03419	2.9
120.01167	0.1
123.04454	0.7
125.02398	0.2
131.03415	0.4
131.04948	0.4
132.02097	2.1
132.05734	0.8
133.02885	37.3
133.06514	32.1
134.03140	0.9
134.06862	1.2
135.04443	14.0
136.04817	0.5
143.03442	0.7
145.89003	0.1
148.05225	1.2
149.02408	0.2
150.03139	0.4
160.01610	0.2
161.02388	100.0
162.02727	3.7
163.03931	0.1
163.07549	1.0
165.05533	0.3
179.03442	0.5
179.05591	0.2
191.05643	0.1
195.06616	0.3
203.05571	0.3
205.07169	0.4
211.63826	0.1
217.08659	0.1
295.12030	0.1
312.91739	0.1
317.75009	0.1
337.13052	1.4
338.13315	0.1
429.17654	0.2
430.28500	0.1
591.20941	85.3
592.21283	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	971.3588
Annotation	Unknow
Peak:m/z	Relative Intensity
68.47263	0.2
69.03345	0.2
69.45874	0.2
71.01276	1.1
77.03876	0.3
78.95781	0.6
81.03340	0.3
85.02844	0.5
87.00757	0.3
88.03540	0.2
88.31035	0.2
89.02341	0.7
93.03353	4.6
95.01296	0.9
95.04914	0.6
96.95908	1.5
97.02838	0.3
98.20554	0.5
101.02371	0.6
105.03348	0.7
107.04951	0.6
108.02045	1.0
109.02854	2.3
111.00800	0.2
113.02362	0.4
117.03392	0.3
119.04954	0.5
120.01209	0.3
121.02874	7.3
122.03660	15.2
123.00819	0.7
123.04490	2.0
123.14656	0.2
124.01585	0.9
125.02380	0.7
131.04929	0.4
132.02113	0.8
133.02879	5.4
134.03671	4.3
135.04471	2.4
136.01588	7.0
137.02382	6.6
137.03439	0.3
137.06050	0.4
138.03136	0.7
139.00319	0.3
139.03951	0.6
144.56198	0.2
145.02852	1.2
146.03691	2.5
147.04480	1.3
148.01616	0.7
149.02385	35.1
149.06001	4.8
150.03166	100.0
151.00317	2.5
151.03961	14.9
152.01071	0.8
152.04747	1.8
152.99507	0.2
153.01834	0.8
153.05519	0.9
154.02551	0.2
159.04510	0.4
161.02390	5.3
161.06029	1.1
162.03198	1.5
163.03961	0.8
164.04736	6.9
165.05524	86.6
166.02660	8.9
166.05847	3.0
167.03412	1.6
174.03185	0.2
175.03957	1.2
176.00999	0.3
176.04704	0.2
177.01888	0.9
177.05521	2.8
178.02722	0.5
178.05934	0.3
179.03461	1.7
179.05515	0.3
179.07098	6.1
180.04248	6.0
180.07497	0.3
181.05029	11.4
182.05254	0.4
184.03706	1.0
187.04004	1.2
188.04723	0.2
190.02719	0.6
190.06335	0.7
191.03447	0.8
192.04243	0.7
193.05016	1.2
195.06606	32.9
196.07024	1.4
202.06343	0.4
203.03419	0.3
204.04227	0.4
205.05063	3.8
206.05740	0.6
207.06633	0.9
219.06633	1.6
220.07387	2.8
221.08026	0.4
225.07742	0.4
229.48624	0.3
231.61957	0.2
233.08096	0.2
235.09792	0.4
265.04971	0.4
266.05890	0.3
271.02533	0.6
271.06177	0.2
282.05341	0.7
299.01981	1.3
313.10950	0.3
314.08127	0.6
315.08783	1.0
323.09238	0.3
329.10370	1.6
337.10553	0.2
339.09152	0.3
341.10181	0.5
354.11493	0.3
355.11859	0.5
359.11771	0.2
369.13477	0.8
371.11581	0.4
372.12042	0.5
373.12982	0.7
386.13617	0.5
387.09973	1.1
387.15060	1.6
388.11331	0.5
402.13358	1.3
403.13937	0.7
416.14761	0.7
417.15671	6.2
418.15958	0.5
421.14960	0.3
471.16809	0.5
493.20325	0.3
505.15231	0.4
517.15674	0.2
520.17334	0.5
535.15289	1.6
549.17743	0.4
550.18420	1.7
551.19073	0.7
564.20197	2.0
565.20898	16.2
566.21228	2.1
594.20850	0.3
595.21844	2.5
612.22455	1.1
613.23010	10.2
614.23358	1.3
619.21857	1.2
620.22284	0.3
667.24011	1.8
685.25403	0.5
713.26190	10.8
713.38861	0.5
714.26617	2.0
725.27008	0.5
743.27191	6.6
744.27362	1.3
755.04578	0.2
761.28357	17.9
762.28534	3.5
773.28259	1.8
774.28717	0.5
791.29382	5.4
792.29657	0.8
809.30457	23.6
810.30811	4.8
935.36237	1.1
971.33942	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	971.3587
Annotation	Unknow
Peak:m/z	Relative Intensity
70.90052	0.5
71.01270	27.9
72.99194	3.3
74.98953	0.5
83.01276	1.3
85.02844	5.6
87.00806	1.2
89.02339	25.1
93.03359	4.6
95.01253	2.5
95.04917	0.6
95.32742	0.4
96.95933	1.2
101.02349	10.0
105.03371	0.9
107.04952	0.7
108.02126	1.0
108.58658	0.5
109.02864	1.6
112.77695	0.5
113.02366	7.3
117.03377	0.9
118.98003	2.8
119.03426	9.1
121.02876	6.7
122.03658	13.8
123.00811	0.8
123.04459	1.5
124.01624	0.5
125.02292	1.2
131.03484	1.1
131.05008	0.6
133.02869	4.6
134.03651	2.9
135.04456	3.0
136.01590	9.6
137.02383	5.0
138.03142	0.7
143.03442	1.9
145.02884	3.3
146.03633	3.1
147.04466	1.1
148.01648	0.7
149.02391	24.4
149.04375	1.2
149.05957	2.6
150.03171	98.1
151.00307	2.1
151.03973	16.6
152.04701	0.9
152.99519	0.5
153.05569	0.6
159.04486	1.0
161.02388	5.9
161.04501	2.2
161.05998	1.2
162.03175	4.2
163.03940	1.8
164.04745	4.9
165.01823	1.6
165.05527	100.0
166.02699	5.0
166.05830	4.7
167.03476	1.6
175.03903	1.1
175.09520	0.5
176.04779	1.0
177.01921	1.3
177.05544	4.8
179.03426	2.5
179.05571	5.5
179.07108	5.9
180.04268	7.3
181.05028	6.3
187.03967	1.3
188.04785	0.6
190.06439	0.7
192.04219	0.8
193.04950	0.9
195.06610	87.3
196.06998	4.8
203.03496	0.6
204.04330	0.7
205.05016	3.6
207.06670	1.3
219.06664	1.5
220.07368	2.2
245.64449	0.6
271.44138	0.6
387.10635	1.0
387.14847	0.8
396.13205	0.6
403.14410	0.7
416.15176	0.7
417.15561	3.3
565.20947	20.8
566.21490	2.6
577.20862	2.4
595.21979	24.5
596.22449	4.0
599.21338	2.2
613.22791	1.3
649.23273	1.8
713.26129	2.4
725.26447	0.7
743.27411	5.4
744.27594	1.9
755.26520	0.7
761.28387	11.0
762.27698	2.5
773.28235	3.8
774.28998	1.1
791.29529	14.2
792.29651	3.2
809.31311	0.8
850.09601	0.6
971.35144	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	971.3577
Annotation	Unknow
Peak:m/z	Relative Intensity
69.30610	1.0
69.31015	2.6
71.01270	25.7
72.99197	2.9
73.02838	0.8
83.01302	1.4
85.02846	6.0
87.00793	1.4
89.02340	26.4
92.80518	0.3
93.03358	4.7
95.01295	2.8
95.04956	0.6
96.95947	0.4
101.02348	12.0
107.04948	0.7
108.02089	1.4
109.02885	1.4
113.02357	9.1
117.03389	1.1
118.02447	0.3
119.03424	9.2
119.04882	0.6
121.02876	8.7
122.03660	14.7
123.00802	1.1
123.04479	1.9
124.01605	1.5
125.02354	1.0
125.16257	0.4
131.03430	1.2
131.04997	0.3
132.02084	1.1
133.01302	0.5
133.02893	4.2
134.03671	6.4
135.04468	1.9
136.01591	26.0
137.02403	5.9
138.03168	0.9
143.03453	2.1
145.02881	4.9
146.03682	4.7
147.04460	2.3
148.01630	1.3
149.02386	32.2
149.05991	6.3
150.03169	100.0
151.00352	3.5
151.03955	44.8
152.01103	0.8
152.04489	1.4
153.01851	0.9
153.05507	1.3
159.04518	0.6
161.02403	7.3
161.04523	2.5
161.06029	3.2
162.03189	12.5
163.03992	3.1
164.04767	6.4
165.05525	89.3
166.02679	8.7
166.05865	4.8
167.03464	2.0
174.03157	0.4
175.03935	2.2
176.01154	0.5
176.04684	0.8
177.01918	1.3
177.05548	10.3
178.02606	0.8
178.05859	0.6
179.03586	2.8
179.05559	5.9
179.07101	8.3
180.04254	8.8
181.05022	11.7
182.05411	0.4
184.03711	0.9
186.14462	0.4
187.04002	1.2
189.01834	0.5
190.02704	0.7
190.06323	0.7
191.03444	1.3
191.05359	0.4
192.04276	2.1
193.05019	1.4
194.05817	0.7
195.06609	55.1
196.06944	1.8
203.03545	0.5
204.04266	0.8
205.05043	3.7
206.05788	0.6
207.06613	3.0
210.05217	0.6
218.05748	0.5
219.06668	2.6
220.07347	2.4
221.08002	0.8
225.07671	3.5
282.05350	0.5
299.01822	0.5
301.03644	0.6
326.07593	0.4
329.10269	1.2
339.08737	0.4
341.10483	0.5
357.12250	0.9
372.12247	0.4
373.12845	1.1
386.13736	0.6
387.10229	0.7
387.14594	1.2
402.13065	0.8
403.14084	0.6
416.14871	2.2
417.15631	5.4
421.14801	1.2
518.92224	0.4
535.16187	0.8
549.17792	1.0
550.18304	1.2
551.18805	0.9
563.19073	1.2
564.20325	2.1
565.20947	13.1
566.21271	2.1
577.20776	3.3
583.20392	0.7
594.20874	1.1
595.21997	14.4
596.22192	1.7
612.21979	1.0
613.22797	5.0
614.23059	0.6
640.77386	0.4
649.23456	1.7
669.90143	0.4
713.26117	13.1
714.26672	2.4
725.26105	3.6
726.26379	1.0
743.27264	23.5
744.27533	4.6
755.26959	1.8
761.28363	8.9
762.28534	2.1
773.28320	7.9
774.28577	1.9
775.29065	0.6
791.29315	9.5
792.29950	2.5
809.30585	5.2
810.30493	1.6
837.31073	0.4
923.32452	0.5
971.35034	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	963.5235
Annotation	Unknow
Peak:m/z	Relative Intensity
68.72214	0.2
68.87316	0.2
69.33801	0.5
69.34226	1.1
78.95790	33.9
85.67216	0.2
95.54253	0.2
96.96855	2.5
98.19741	0.3
150.97972	0.4
152.99521	45.2
153.99889	0.6
171.00587	13.5
227.03268	2.4
245.04337	55.9
246.04698	1.6
253.21761	21.6
254.22154	1.8
411.53152	0.2
481.25806	100.0
482.26154	9.8
483.19391	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	967.555
Annotation	Unknow
Peak:m/z	Relative Intensity
68.79227	0.2
71.58781	0.2
71.59189	0.3
78.95792	7.3
79.37987	0.2
80.97030	0.2
85.60405	0.2
96.95895	0.4
96.96878	0.6
116.93439	0.2
137.68253	0.2
152.99525	14.3
153.99841	0.2
171.00569	1.1
227.03271	2.4
245.04321	1.4
255.23332	100.0
256.23663	7.1
293.21194	0.4
327.40045	0.2
389.28937	0.2
397.13693	0.2
481.25757	0.3
482.26306	0.4
483.27390	77.9
484.27740	7.9
484.34830	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	969.545
Annotation	Unknow
Peak:m/z	Relative Intensity
71.57994	0.1
93.03360	0.2
96.95959	0.1
106.04163	0.2
110.10556	0.1
111.00738	0.2
117.03408	0.1
121.02865	0.9
128.91255	0.1
133.02879	5.8
134.03665	5.3
135.04456	7.5
136.04781	0.1
137.02377	6.3
138.02724	0.2
139.03937	2.0
150.03162	0.8
161.02388	13.9
162.02734	0.3
165.01888	0.2
178.02672	3.1
179.03458	5.0
180.03793	0.2
271.17258	0.2
279.23434	0.1
314.15231	0.2
315.16071	100.0
316.16403	7.0
637.46674	0.1
735.14459	0.1
941.69977	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	963.3007
Annotation	Unknow
Peak:m/z	Relative Intensity
66.74328	0.2
67.01757	0.2
70.02718	0.9
71.01269	2.6
73.02810	0.4
81.03339	0.4
83.04960	0.2
85.02843	7.4
85.03362	0.4
86.03165	0.2
87.00764	1.5
89.02322	1.4
91.52857	0.2
93.03359	2.8
95.01244	0.4
99.00775	0.2
101.02319	0.9
109.02876	0.6
111.04412	0.7
113.02346	3.1
119.03438	0.5
121.30611	0.2
123.04417	1.1
125.02351	0.4
127.03952	1.7
131.03424	0.3
133.02878	0.8
135.04442	3.3
136.04846	0.2
137.02386	0.2
140.69350	0.2
143.03391	0.3
149.04466	0.2
153.05536	1.2
155.03430	0.2
161.02370	1.7
161.04491	0.5
171.02969	0.6
173.04533	1.0
179.03416	0.8
191.05579	100.0
192.05934	2.9
241.44699	0.2
261.07574	0.3
272.85489	0.2
275.85431	0.2
315.10861	1.4
332.93158	0.2
353.08844	16.0
354.09103	1.3
414.87952	0.2
447.15100	0.3
477.16159	1.9
478.16656	0.3
514.85803	0.2
609.20483	18.9
610.20978	2.0
736.35883	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	954.5865
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95797	56.7
92.31995	0.1
96.96865	6.8
150.97966	2.1
152.99532	100.0
153.99884	1.4
161.02328	0.2
171.00598	3.7
190.83423	0.1
229.33168	0.2
279.23376	0.9
433.23694	44.1
434.24023	4.0
458.73181	0.1
557.98212	0.1
666.73743	0.1
739.87000	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	961.2641
Annotation	Unknow
Peak:m/z	Relative Intensity
71.44984	0.1
90.05229	0.1
93.03364	0.2
97.02815	0.1
97.14304	0.1
103.05476	0.1
107.01278	0.1
108.02084	0.2
113.02374	0.1
121.06459	0.1
122.03654	0.4
124.01516	0.1
125.02379	0.1
131.04927	0.1
132.02103	0.1
133.02882	0.2
135.04469	0.1
139.03899	0.1
143.03485	0.1
147.04462	1.0
148.05254	1.5
149.06020	100.0
150.06355	3.9
151.00311	0.3
154.02698	0.1
161.02351	0.3
163.00360	0.1
178.99815	0.2
183.04410	0.1
191.07086	0.4
211.04062	0.2
215.07149	0.1
227.03499	4.6
228.03886	0.2
229.04999	0.2
239.03406	0.1
245.08144	0.1
255.03021	9.1
256.03561	0.9
257.04419	0.2
275.09302	0.1
283.02435	0.2
284.03317	13.5
285.03922	2.1
293.10342	0.5
309.04340	0.1
311.11432	18.7
312.11801	1.1
353.12479	9.2
354.12878	0.7
399.06964	0.1
563.14178	26.4
564.14496	3.0
593.11761	0.1
767.98120	0.1
937.93341	0.1
961.30182	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	961.3034
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03347	0.3
69.27107	1.0
69.27521	0.2
71.01266	4.8
72.99188	0.4
73.02838	1.5
75.00755	0.2
77.03864	0.3
81.03345	0.2
83.01289	0.4
85.02851	1.7
85.99984	0.3
87.00758	1.8
87.04396	0.2
89.02341	3.0
89.03870	0.5
91.05462	0.1
93.03370	0.2
95.01263	0.2
95.04948	0.2
97.02832	0.4
98.20491	0.2
99.00767	0.5
101.02346	4.1
103.03295	0.1
103.03912	0.5
104.02596	0.2
105.03356	0.8
107.04990	0.2
108.02100	0.1
111.00828	0.1
113.02351	2.2
115.01836	0.4
115.03938	0.3
117.03387	1.1
118.23061	0.1
119.03417	1.3
121.02880	0.3
123.04439	1.9
124.04830	0.1
125.02361	1.2
127.03930	0.2
131.03435	1.3
132.02101	6.5
133.02882	49.4
134.03731	4.1
135.04449	15.7
136.04808	0.6
137.02393	0.3
139.03847	0.2
143.03439	1.0
145.05008	0.2
147.04504	0.2
148.05196	0.2
149.06024	15.5
150.06349	0.5
153.05502	1.3
154.05850	0.2
159.02884	0.1
160.01611	14.0
161.02390	100.0
162.02730	4.1
162.04813	0.1
163.03989	0.1
163.06053	0.4
175.03964	12.5
176.04404	0.7
177.05515	0.2
178.02670	0.4
179.03462	5.5
179.05496	0.4
180.03859	0.3
180.05722	0.1
191.07098	0.3
193.05025	2.6
201.14963	0.6
203.03596	0.2
203.05582	0.4
205.07178	0.4
221.06685	1.5
227.03491	0.6
233.06689	0.4
235.05998	0.5
255.03050	1.3
256.03580	0.2
261.07938	0.1
263.07687	0.1
284.03378	2.4
285.03943	0.4
295.08441	0.2
297.09869	0.2
311.11414	2.5
315.10904	1.3
353.12405	1.2
354.12704	0.1
383.09933	0.2
397.11536	0.6
398.11966	0.1
398.19577	0.2
443.15497	0.2
459.15222	0.4
460.23291	0.1
461.16711	1.3
462.17038	0.1
477.16223	2.1
478.16592	0.3
563.05194	0.2
563.14124	3.9
564.14569	0.4
570.81421	0.1
605.20917	0.6
612.93231	0.1
623.22076	3.2
624.22601	0.3
767.24426	0.6
781.25342	0.5
785.25293	4.7
786.25580	0.5
799.26862	6.8
800.27148	1.0
961.30048	36.2
962.30347	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	953.3461
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03323	1.1
71.01262	6.5
71.58310	1.4
72.99158	1.3
73.02817	3.4
76.18642	0.7
85.02838	3.7
87.00763	3.3
87.04416	1.3
89.02316	1.7
90.80667	0.9
95.01270	1.5
96.95910	2.1
101.02319	2.5
103.03912	1.0
109.02847	2.9
113.02320	1.6
113.41234	0.8
115.03855	0.9
123.00742	1.1
125.02351	1.2
131.03418	1.9
132.02094	1.8
133.02882	30.2
134.03687	2.4
135.04453	23.8
135.53972	0.8
138.38615	0.9
143.03429	1.6
145.02919	0.9
147.04468	1.0
149.02345	1.1
149.06027	2.0
151.03830	0.9
159.04509	1.1
161.02393	54.7
161.06030	1.7
162.02759	2.5
164.04807	0.8
175.03931	3.5
177.01897	1.3
177.05484	3.1
179.03447	12.7
185.06036	1.2
187.03960	2.0
196.05424	1.0
197.05978	0.9
198.03311	1.2
199.04015	1.3
203.03500	6.3
205.07098	1.2
209.06055	0.9
211.03780	1.2
211.07613	2.0
212.04807	1.1
213.05525	3.1
214.06229	1.3
215.03491	1.1
224.04707	1.5
225.05525	1.7
227.03459	3.6
227.07114	1.9
228.04204	0.9
229.04964	0.9
237.05565	2.9
239.07117	5.3
240.04326	2.7
241.05074	7.2
242.02109	1.0
242.05765	2.0
243.03001	20.5
244.03540	2.5
249.05530	2.3
251.03490	3.4
252.04291	2.6
255.02979	6.0
255.06642	2.8
256.03705	3.8
257.04340	1.1
258.05362	1.0
264.04202	0.9
265.05170	4.3
266.05579	1.7
267.06720	9.6
268.03790	0.8
269.04611	21.4
270.05331	12.7
279.03030	2.6
280.03830	1.3
283.03101	1.3
283.06161	6.6
284.06631	1.6
285.07608	1.0
293.04651	9.4
294.05325	4.4
295.05856	1.9
296.03372	5.2
296.10983	0.8
311.05692	23.9
312.06113	2.6
329.06946	1.9
329.13943	1.9
331.15491	1.3
380.71463	1.1
419.18454	0.9
436.15280	3.0
438.17035	4.1
447.18143	5.9
448.18896	2.0
465.19278	34.2
466.19632	6.2
483.20135	2.2
583.28082	1.0
623.19495	1.3
791.18359	0.7
791.31372	18.2
791.44592	1.5
792.32129	4.2
799.20789	1.2
817.29523	1.8
953.34662	100.0
954.16022	1.4
954.35126	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	961.3005
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03336	0.3
71.01273	4.7
71.59182	0.3
71.59535	0.2
72.99194	0.5
73.02839	2.3
75.00756	0.3
81.03371	0.2
83.01266	0.5
84.01705	0.2
85.02847	1.9
87.00773	2.2
87.04358	0.3
89.02340	3.1
89.03860	0.5
93.03352	0.2
95.01298	0.3
97.02844	0.6
99.00790	0.5
101.02343	4.2
103.03898	0.7
104.02598	0.3
105.03379	1.2
107.04948	0.3
109.02863	0.2
113.02359	2.4
115.01803	0.3
115.03903	0.4
117.03394	1.2
119.03419	1.3
123.04453	2.5
124.57156	0.2
125.02391	1.4
131.03416	1.4
132.02097	7.7
133.02881	56.2
134.03735	4.5
135.04448	17.4
136.04773	0.7
143.03426	0.8
145.02867	0.5
147.04498	0.3
149.02332	0.3
149.04527	0.2
149.06012	0.7
150.03120	0.2
153.05495	1.1
159.02919	0.3
160.01611	13.7
161.02386	100.0
162.02722	4.0
163.03990	0.2
163.06073	0.4
175.03964	12.1
176.01102	0.4
176.04454	0.8
177.01884	2.6
178.02625	0.6
179.03458	5.0
179.05266	0.2
180.03856	0.3
191.05611	0.4
193.04994	1.9
196.84811	0.2
197.06401	0.4
203.05609	0.2
205.07094	0.4
221.04694	0.4
221.06642	1.5
235.06123	0.4
250.27898	0.2
315.10855	1.4
351.60782	0.2
375.42889	0.2
383.09662	0.2
384.94882	0.2
390.47281	0.2
397.11462	0.5
459.15091	0.3
461.16788	1.4
477.16269	1.9
514.82800	0.2
605.20685	0.5
607.20709	0.4
623.21808	3.0
624.21838	0.5
679.00238	0.2
767.24072	0.8
769.25549	0.3
781.25696	0.3
783.27661	0.3
785.25299	4.5
786.25366	0.8
799.26855	7.3
800.26996	1.1
831.80145	0.2
890.65527	0.2
961.30005	37.0
962.30225	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	948.4816
Annotation	Unknow
Peak:m/z	Relative Intensity
70.31649	6.7
70.70984	9.3
70.71342	22.2
71.01263	16.8
87.00807	8.5
91.22225	6.7
101.02320	21.3
111.81803	6.8
114.95252	7.0
140.29709	6.6
159.34184	6.6
161.02419	12.0
163.11127	8.3
209.11841	100.0
210.12204	52.1
211.12321	13.5
277.21664	43.9
278.22113	22.8
299.02100	11.1
315.16205	37.3
316.16409	14.6
331.05042	11.5
391.29333	7.0
397.13443	22.8
398.13791	18.9
399.14120	14.7
563.13507	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	949.3005
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01273	3.5
73.02835	1.1
85.02853	1.3
87.00774	1.0
87.04380	0.4
89.02339	2.5
101.02360	3.0
101.03848	0.5
113.02357	1.7
115.03947	0.4
115.49827	0.3
117.03378	1.0
119.03461	1.8
119.04940	5.1
123.04474	1.0
125.02340	0.4
131.03429	1.1
132.02077	1.2
132.22461	0.2
133.02885	29.9
134.03183	1.3
135.04451	14.3
136.04810	0.6
143.03447	1.0
150.03169	0.3
153.05531	0.6
155.42305	0.2
161.02393	100.0
162.02733	3.7
163.06018	0.2
179.03484	2.5
179.05066	0.3
179.05675	0.3
191.67703	0.2
205.07176	0.9
209.08347	0.3
227.07234	0.4
249.07744	0.6
296.66818	0.3
315.10959	4.9
316.11154	0.4
325.09399	0.8
438.56049	0.3
461.16785	3.9
462.17050	0.4
487.14191	0.3
622.19287	0.3
623.19952	79.5
624.20239	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	950.5549
Annotation	Unknow
Peak:m/z	Relative Intensity
69.31282	0.6
77.63445	0.1
78.95795	52.8
89.74885	0.1
93.01196	0.1
96.96866	6.9
150.97960	2.1
152.99529	100.0
153.99860	1.3
171.00595	4.1
273.47809	0.1
277.21777	0.7
279.23328	0.1
387.83743	0.1
409.40210	0.1
431.22110	39.5
432.22437	3.6
752.79004	0.1
771.56482	0.1
835.95996	0.1
837.68451	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	953.3461
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03323	1.1
71.01262	6.5
71.58310	1.4
72.99158	1.3
73.02817	3.4
76.18642	0.7
85.02838	3.7
87.00763	3.3
87.04416	1.3
89.02316	1.7
90.80667	0.9
95.01270	1.5
96.95910	2.1
101.02319	2.5
103.03912	1.0
109.02847	2.9
113.02320	1.6
113.41234	0.8
115.03855	0.9
123.00742	1.1
125.02351	1.2
131.03418	1.9
132.02094	1.8
133.02882	30.2
134.03687	2.4
135.04453	23.8
135.53972	0.8
138.38615	0.9
143.03429	1.6
145.02919	0.9
147.04468	1.0
149.02345	1.1
149.06027	2.0
151.03830	0.9
159.04509	1.1
161.02393	54.7
161.06030	1.7
162.02759	2.5
164.04807	0.8
175.03931	3.5
177.01897	1.3
177.05484	3.1
179.03447	12.7
185.06036	1.2
187.03960	2.0
196.05424	1.0
197.05978	0.9
198.03311	1.2
199.04015	1.3
203.03500	6.3
205.07098	1.2
209.06055	0.9
211.03780	1.2
211.07613	2.0
212.04807	1.1
213.05525	3.1
214.06229	1.3
215.03491	1.1
224.04707	1.5
225.05525	1.7
227.03459	3.6
227.07114	1.9
228.04204	0.9
229.04964	0.9
237.05565	2.9
239.07117	5.3
240.04326	2.7
241.05074	7.2
242.02109	1.0
242.05765	2.0
243.03001	20.5
244.03540	2.5
249.05530	2.3
251.03490	3.4
252.04291	2.6
255.02979	6.0
255.06642	2.8
256.03705	3.8
257.04340	1.1
258.05362	1.0
264.04202	0.9
265.05170	4.3
266.05579	1.7
267.06720	9.6
268.03790	0.8
269.04611	21.4
270.05331	12.7
279.03030	2.6
280.03830	1.3
283.03101	1.3
283.06161	6.6
284.06631	1.6
285.07608	1.0
293.04651	9.4
294.05325	4.4
295.05856	1.9
296.03372	5.2
296.10983	0.8
311.05692	23.9
312.06113	2.6
329.06946	1.9
329.13943	1.9
331.15491	1.3
380.71463	1.1
419.18454	0.9
436.15280	3.0
438.17035	4.1
447.18143	5.9
448.18896	2.0
465.19278	34.2
466.19632	6.2
483.20135	2.2
583.28082	1.0
623.19495	1.3
791.18359	0.7
791.31372	18.2
791.44592	1.5
792.32129	4.2
799.20789	1.2
817.29523	1.8
953.34662	100.0
954.16022	1.4
954.35126	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	947.2847
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01275	6.2
71.04900	0.3
71.60213	0.5
72.99194	0.6
73.02831	1.7
78.12120	0.3
83.01289	0.7
85.02836	2.2
85.99981	0.4
87.00780	1.7
89.02343	5.0
89.03889	0.6
93.03375	0.4
97.02837	0.4
99.00777	0.6
101.02346	4.9
103.03903	0.5
105.03355	0.5
113.02355	2.8
115.01813	0.4
117.03407	1.4
119.03459	1.5
119.04905	0.5
121.02875	0.4
123.04436	2.3
125.02385	1.1
131.03433	2.3
132.02115	2.6
133.02885	40.7
134.03261	1.4
135.04451	15.5
136.04768	0.8
143.03464	1.0
145.02916	1.7
149.06062	0.9
150.03119	0.4
153.05528	1.7
161.02393	100.0
162.02751	4.3
163.03969	0.5
163.06084	0.4
166.09413	0.3
177.01898	1.2
177.05548	0.5
179.03468	5.0
179.05527	0.7
203.03471	0.5
205.07143	0.6
221.04733	0.5
221.06648	2.6
233.06601	0.3
271.02527	2.3
279.10950	0.5
281.06702	0.6
285.04355	0.4
298.70764	0.3
299.02039	3.5
300.02802	0.7
315.10999	1.3
380.27872	0.3
383.10001	1.2
425.14520	0.5
426.46268	0.3
459.14978	0.5
461.16803	1.9
477.16293	2.9
493.29001	0.3
552.22064	0.3
585.57330	0.3
587.16052	0.3
623.21820	4.9
624.22192	0.5
681.97900	0.3
767.24835	0.8
769.25928	0.6
785.25269	23.1
786.25671	3.9
904.91040	0.4
905.96722	0.3
947.28369	24.1
948.28497	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	937.3518
Annotation	Unknow
Peak:m/z	Relative Intensity
69.10634	1.7
71.01274	7.0
71.58060	2.8
85.02849	1.7
87.00741	2.0
89.02296	2.1
96.95882	1.8
101.01003	1.4
101.02335	4.2
106.53245	1.7
109.02854	9.3
113.02370	3.0
117.03349	2.9
123.23357	1.6
125.02416	2.6
132.02100	4.2
133.02892	60.6
135.04440	7.0
145.02884	5.5
146.03661	4.3
147.04465	5.3
159.04454	5.6
161.02399	100.0
162.02742	5.8
163.03917	3.3
174.34792	1.7
175.25560	1.6
179.03513	3.8
226.97054	1.7
239.07225	3.3
243.02887	2.0
249.05840	2.4
253.05115	2.6
255.06601	4.0
267.06607	15.1
268.07498	30.6
269.07913	5.4
295.06299	10.0
312.57571	1.9
315.16150	2.9
327.16171	2.7
339.16031	3.9
449.19705	7.8
455.55197	1.9
467.20657	3.8
475.30276	2.0
588.12415	2.2
629.26324	18.3
630.26746	4.0
775.32184	21.1
776.32294	3.5
801.30017	3.1
937.35229	97.7
938.35266	25.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	945.3057
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01279	2.2
71.36357	0.4
72.99175	0.2
73.02838	0.5
74.78359	0.2
77.03861	0.2
82.73248	0.2
83.01279	0.2
85.02816	0.8
87.00773	0.6
89.02333	0.8
89.03882	0.5
95.04928	0.2
97.02806	0.2
101.02348	1.6
104.02549	0.2
111.00819	0.2
113.02352	0.8
115.01798	0.5
117.03376	2.1
119.03436	0.5
119.04945	0.7
123.04440	0.7
125.02361	0.4
131.03401	0.4
132.01050	0.2
132.02097	8.0
133.02879	58.5
134.03705	9.4
135.04449	12.4
136.04768	0.6
137.02382	0.4
137.06006	0.5
143.03447	0.3
149.06041	1.1
160.01605	17.2
160.58920	0.2
161.02385	100.0
162.02725	3.8
175.03964	13.0
176.04396	1.0
177.05553	0.2
178.02591	0.7
179.03458	4.1
180.03819	0.2
191.07091	0.4
193.05020	4.8
216.55466	0.2
221.04446	0.2
221.06604	0.2
233.06680	0.3
235.06012	0.4
252.35663	0.2
272.27945	0.2
274.73645	0.2
394.67548	0.2
751.24365	0.4
765.26538	0.3
769.25586	3.7
770.25940	0.9
783.27362	4.6
784.27917	0.9
945.30518	27.7
946.30762	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	937.3517
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01271	7.4
71.58871	1.6
71.59264	3.0
73.02827	1.7
85.02843	3.7
87.00768	4.1
89.02380	2.0
96.95930	2.1
101.02350	3.1
103.03958	1.8
109.02881	7.8
112.11175	2.0
113.02360	2.4
117.03358	1.8
119.04925	2.5
131.03386	1.8
132.02097	2.8
133.02884	39.1
135.04466	14.3
143.03436	2.6
145.02872	7.4
146.03641	2.1
147.04451	3.7
149.02423	1.9
153.91502	1.7
159.04445	5.3
161.02393	72.3
162.02730	2.9
163.04056	2.5
173.02245	1.7
175.04042	1.9
179.03426	5.2
203.03343	1.8
224.65419	1.6
224.70522	1.7
225.05638	2.2
237.05612	2.5
239.07059	2.3
239.15556	1.6
241.05008	2.8
243.03036	5.0
252.04375	1.9
253.05086	6.0
254.05840	1.6
265.05157	4.7
267.06668	15.1
267.67416	1.8
268.07431	26.9
269.04700	3.4
269.08057	2.8
270.05261	2.2
276.04401	2.0
277.05139	4.1
280.03827	3.0
293.04550	7.9
294.05328	5.7
295.06177	10.3
311.05713	3.1
321.04074	3.7
339.16016	4.0
449.19757	4.4
457.16315	2.6
461.16754	2.8
465.19150	5.5
475.17712	13.0
516.67993	2.2
529.40009	1.7
629.25964	13.2
630.26630	2.4
775.31836	28.3
776.32501	4.7
937.35168	100.0
938.35236	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	945.5371
Annotation	Unknow
Peak:m/z	Relative Intensity
67.63466	0.1
69.32983	0.6
69.33385	0.1
78.95794	48.8
96.96863	6.0
102.34858	0.1
137.02342	0.1
150.97969	2.1
152.99524	100.0
153.99866	1.4
171.00592	4.4
171.02089	0.2
209.11850	0.1
220.52542	0.1
231.96724	0.1
277.21725	0.6
278.22067	0.1
313.14639	0.4
429.86401	0.1
431.22107	37.9
432.22437	4.0
757.33398	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	947.2847
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03336	0.3
70.91441	0.9
71.01265	5.7
72.99203	0.4
73.02834	2.2
77.03889	0.4
83.01314	0.4
85.02824	2.4
85.99961	0.3
87.00758	2.2
89.02342	4.3
95.01260	0.5
97.02849	0.5
99.00774	0.4
101.02335	5.0
103.03965	0.7
105.03358	0.7
113.02358	2.6
115.01827	0.4
117.03381	0.7
119.03408	1.7
123.04437	2.1
125.02360	0.8
131.03439	1.5
132.02086	2.5
133.02882	42.9
134.03244	1.4
135.04448	13.6
136.04773	0.6
143.03429	0.8
149.05992	0.9
153.05524	1.7
161.02385	100.0
162.02737	3.8
163.06068	0.5
179.03461	4.4
179.05585	0.5
205.07202	0.4
221.04700	0.5
221.06660	2.9
297.09863	0.3
313.35968	0.3
315.10947	1.4
383.09943	1.0
443.03577	0.3
461.16644	1.5
477.16199	3.5
478.16431	0.4
623.21844	4.0
624.22888	0.6
785.25250	21.1
786.25537	4.3
947.28479	22.9
948.28729	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	937.3518
Annotation	Unknow
Peak:m/z	Relative Intensity
69.43684	6.2
71.01278	4.3
73.02842	1.4
83.50146	0.7
85.02846	2.6
87.00797	1.6
89.02345	2.8
93.03396	0.9
96.95919	0.9
101.02365	2.7
105.03368	2.6
105.95241	0.7
113.02376	3.0
117.03358	1.3
119.03440	0.9
121.02843	1.1
123.04439	1.6
131.03462	1.5
132.02100	1.5
133.02882	47.1
134.03758	1.4
135.04453	29.7
136.04753	1.5
137.02405	1.2
143.03424	2.0
145.02945	1.1
149.06108	0.8
150.03122	1.3
153.05522	0.8
154.91260	0.7
158.97978	0.7
161.02393	100.0
162.02734	4.2
175.03984	1.5
177.01897	1.8
177.05504	1.8
179.03471	17.0
189.05426	0.6
193.72569	0.7
203.03493	6.0
205.07170	0.8
221.04669	1.9
281.06677	2.2
314.15329	6.8
315.10971	4.0
315.16031	10.8
316.16150	1.2
443.15472	1.0
461.16763	5.9
487.14911	4.8
621.18506	16.0
622.18774	3.1
623.19958	23.0
623.29901	1.5
624.20343	2.9
771.07574	0.8
775.31805	1.8
891.82861	0.8
937.35156	36.7
938.35260	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	935.3577
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03335	0.5
71.01268	5.1
72.99209	0.5
73.02837	2.4
77.03862	0.3
83.01299	0.5
85.02846	2.2
85.99999	0.4
87.00777	2.2
87.04414	0.4
89.02341	2.6
89.03859	0.4
95.01273	0.4
95.04939	0.3
96.95937	0.3
97.02857	0.4
99.00780	0.5
101.02349	3.9
102.12572	0.2
103.03907	0.5
105.03382	0.7
106.70567	0.2
113.02355	2.5
115.01814	0.5
115.03906	0.4
117.03387	1.6
119.03409	1.1
119.04883	0.3
123.04440	2.7
125.02369	1.4
129.01900	0.2
131.03450	1.2
132.02090	3.3
133.02882	50.6
134.03142	2.2
135.04448	18.1
136.04808	0.7
137.02409	0.2
141.58571	0.2
143.03419	1.0
145.02887	1.2
149.02251	0.2
149.06007	2.3
151.03990	0.2
153.05495	1.4
159.02892	0.3
160.01596	0.3
161.02391	100.0
162.02727	5.7
163.04019	0.3
163.05960	0.4
167.10718	4.5
179.03464	5.8
179.05258	0.4
180.03793	0.4
181.12331	0.6
201.05623	0.2
203.03748	0.3
203.05643	0.7
205.07198	0.5
221.06645	1.3
227.03378	0.3
233.06709	0.4
297.09686	0.2
298.77481	0.2
311.11438	0.5
315.10977	1.4
459.15298	0.5
461.17038	1.1
477.16251	2.0
605.21027	0.7
623.21979	2.5
624.22076	0.4
755.31555	0.4
767.24371	0.3
773.32404	3.6
774.32629	0.7
785.25610	1.3
786.25134	0.4
935.35736	41.6
936.36072	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	931.2896
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03311	0.3
71.01273	4.6
71.24673	0.3
71.78534	0.3
72.99227	0.4
73.02828	1.6
76.94582	0.2
77.03877	0.3
83.01270	0.5
85.02831	1.8
87.00765	2.1
89.02333	3.1
89.03878	0.3
89.98634	0.2
97.02837	0.4
99.00793	0.5
101.02352	3.9
102.97747	0.2
103.03923	0.5
105.03379	0.8
109.02836	0.3
113.02372	2.2
115.01781	0.4
115.03934	0.4
117.03386	11.7
119.03423	1.0
119.04948	4.0
123.04439	2.3
125.02355	1.3
131.03427	1.4
132.02098	3.4
133.02882	52.3
134.03172	1.8
135.04453	15.4
136.04782	0.3
137.02347	0.3
143.03438	0.8
145.02892	32.0
146.03279	1.4
153.05569	1.3
161.02394	100.0
161.97386	0.2
162.02733	4.1
163.03954	2.5
163.06056	0.5
179.03473	4.6
179.05606	0.6
203.03560	0.4
203.05482	0.5
205.05087	0.7
205.07118	0.5
221.06633	1.6
265.07321	0.5
285.03983	0.3
315.10983	1.5
367.10367	0.8
459.15085	0.5
461.16467	1.2
477.16342	2.4
605.21466	0.3
623.21820	3.4
624.21777	0.3
751.25250	0.4
751.39795	0.3
767.24170	0.6
769.25757	9.3
770.26740	1.6
785.25317	5.3
785.35852	0.2
786.25354	0.6
877.93628	0.3
931.28998	44.0
932.29340	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	923.3424
Annotation	Unknow
Peak:m/z	Relative Intensity
69.89510	2.0
71.01269	11.4
72.99191	1.3
73.02831	3.8
83.01273	1.2
85.02829	2.6
85.99986	0.8
87.00774	3.6
87.04406	1.0
89.02335	11.2
95.01331	0.4
98.20472	0.6
101.02345	14.7
103.03907	0.7
113.02367	3.3
115.03919	1.7
119.03409	9.0
123.04420	2.6
125.02316	0.5
131.03403	3.9
134.03687	0.4
135.04446	41.7
136.04823	1.1
143.03452	4.2
145.05008	0.8
153.05547	2.6
163.06061	1.5
179.05574	0.9
205.07172	2.9
221.31259	0.4
233.85918	0.3
315.10916	20.7
316.11255	1.4
317.86664	0.4
385.49963	0.4
461.16745	100.0
462.17090	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	921.3573
Annotation	Unknow
Peak:m/z	Relative Intensity
69.30013	1.9
71.01272	7.0
72.99207	1.2
73.02837	2.4
77.03845	0.3
81.99390	0.2
81.99879	0.2
83.01261	0.5
85.02848	3.9
85.99993	0.5
87.00776	2.7
87.04403	1.1
89.02335	2.8
89.24214	0.2
95.01307	0.3
101.02345	4.1
103.03902	0.5
105.03348	0.7
113.02358	3.7
115.03938	1.1
117.03378	1.5
119.03423	1.1
119.04951	0.5
121.02866	0.4
123.04465	0.6
125.02357	0.7
131.03442	1.8
132.02097	3.4
133.02882	52.6
134.03200	2.0
135.03421	0.5
135.04451	7.7
137.02399	0.4
138.03128	0.7
143.03433	2.5
145.02884	3.5
145.04991	0.5
150.03192	2.0
151.03934	0.5
161.02391	100.0
162.02725	4.8
163.06026	0.3
177.05502	0.3
179.03465	4.0
203.03461	0.7
205.07181	1.3
221.04562	0.4
299.16611	6.6
299.20007	0.4
300.16922	0.5
323.05777	0.7
433.20279	5.2
434.20581	0.5
451.21030	1.1
459.18488	0.5
595.25745	0.3
613.26740	2.7
614.27246	0.5
621.18304	2.6
622.18604	0.4
759.32568	3.3
760.32550	0.5
785.30878	1.9
921.35712	61.9
922.36108	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	921.3573
Annotation	Unknow
Peak:m/z	Relative Intensity
70.45773	0.3
71.01269	6.7
71.14339	0.8
72.99204	0.8
73.02842	3.6
83.01274	0.5
85.02847	3.4
86.00006	0.5
87.00768	3.5
87.04410	1.2
89.02338	3.5
89.03867	0.5
95.01304	0.4
101.02338	4.0
103.03946	0.8
105.03384	0.6
109.02882	0.3
113.02370	2.8
115.03935	1.5
117.03398	1.6
119.03439	1.0
121.02856	0.5
123.04512	0.4
125.02357	0.5
130.58220	0.3
131.03424	2.9
132.02083	2.4
133.02881	48.3
134.03284	1.2
135.03418	0.7
135.04454	13.7
136.72975	0.3
137.02385	0.5
143.03424	2.8
145.02890	4.1
145.04915	0.3
149.02382	0.5
149.06059	0.4
150.03160	1.6
151.03920	0.8
160.01637	0.4
161.02390	100.0
162.02716	3.8
163.06065	0.6
175.03961	0.4
177.05522	1.4
179.03456	8.1
180.03835	0.3
203.03496	1.4
205.07091	1.6
221.04489	1.3
281.06763	0.8
299.16595	6.1
300.16992	0.5
323.05682	0.4
433.20313	5.3
434.20660	0.6
451.21146	1.2
459.18417	0.5
497.95715	0.3
532.05920	0.3
595.25238	0.4
613.26550	2.7
614.26947	0.7
621.18500	3.6
622.18518	0.5
623.58331	0.3
759.32208	3.6
760.32629	0.4
921.35693	63.6
922.35968	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	921.3645
Annotation	Unknow
Peak:m/z	Relative Intensity
67.73775	0.6
69.53149	4.6
71.01271	12.1
72.99202	1.3
73.02831	5.9
79.51609	0.6
83.01300	1.3
85.02839	6.0
85.99999	1.0
87.00772	7.6
87.04417	2.3
89.02328	5.7
95.01252	0.8
95.89200	0.6
96.83618	0.6
96.95901	0.8
99.00797	1.0
99.04424	0.9
101.02349	7.7
103.03913	2.0
105.03387	1.1
110.00049	1.0
113.02355	5.7
115.03957	2.7
115.17627	0.5
117.03368	4.3
119.03430	2.0
119.04914	1.3
121.02879	0.9
123.04445	1.8
125.02364	1.2
131.03439	4.8
132.02101	2.8
132.25056	0.6
133.02885	45.4
134.03285	1.9
135.04462	13.1
137.02380	1.8
138.03145	0.7
143.03452	6.0
145.02888	10.7
145.04889	0.8
146.03207	0.6
149.02339	1.3
149.06015	3.0
150.03166	3.4
151.03944	2.2
161.02393	99.2
162.02699	3.7
163.03972	1.1
163.06064	1.3
176.01120	2.4
177.01907	1.8
177.05522	6.0
179.03450	11.2
205.07132	3.3
221.04596	7.3
251.05539	0.7
279.06561	0.6
281.06674	3.8
299.16583	9.5
314.15326	0.8
315.16141	1.2
433.20444	6.1
434.20422	0.9
451.21338	2.1
459.18234	2.5
487.14703	2.5
607.20520	2.3
613.26654	3.2
621.18365	10.2
622.18408	1.3
705.07666	0.7
759.32361	10.2
760.32599	2.0
921.35693	100.0
922.36017	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	923.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00195	0.5
68.36429	0.1
71.01279	0.4
71.04962	0.1
71.05334	0.2
73.02863	0.1
79.01819	0.1
83.01271	0.4
85.02820	0.1
87.00761	0.1
89.00233	0.2
89.01647	0.1
89.02315	0.3
91.01736	0.1
93.03369	0.1
95.01302	0.1
96.95922	0.7
101.02357	0.4
107.00628	0.1
107.01299	0.9
108.02070	0.1
108.77242	0.1
109.02853	1.1
113.02367	0.2
115.05444	0.1
117.03374	0.1
119.01273	0.1
119.03417	0.2
121.02863	0.2
123.04434	0.2
125.02316	0.1
131.04912	0.2
132.89432	0.1
133.02882	2.7
134.03255	0.1
135.00790	0.4
135.04459	1.7
137.02325	0.1
139.03944	0.1
143.03293	0.1
143.04950	0.9
145.02892	0.3
147.00841	0.4
147.04427	0.3
149.02359	0.3
149.06003	0.2
151.00308	1.3
151.04019	0.1
155.04932	0.4
157.02879	0.6
159.04437	0.2
161.02390	2.9
162.02811	0.1
163.00270	0.1
163.04010	0.1
169.01396	0.2
169.02727	0.1
170.03598	0.1
171.04469	2.1
172.04768	0.1
173.02399	0.5
173.52370	0.1
175.03966	1.4
178.99806	0.1
179.03459	0.3
182.03647	0.2
183.04442	0.5
185.02428	0.3
187.03975	1.1
189.01991	0.2
189.05518	0.2
197.02408	0.5
198.03191	0.5
199.03990	5.4
200.04282	0.3
201.01930	1.6
203.03470	0.6
205.07135	0.1
213.01814	0.2
214.02751	0.2
215.03499	2.5
225.01967	0.3
225.05153	0.1
226.02702	0.9
227.03502	3.1
228.03831	0.1
229.01364	0.2
231.03059	0.2
241.01469	0.2
242.02196	0.7
243.03020	3.7
244.03529	0.2
254.02272	0.1
255.02983	1.3
267.48477	0.1
271.02539	42.6
272.02866	2.5
282.01715	0.4
299.02032	100.0
300.02457	8.0
301.03506	0.7
315.10934	0.3
461.16696	0.3
487.14545	0.1
621.18738	0.5
623.19916	3.2
624.20575	0.5
923.39264	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	919.3263
Annotation	Unknow
Peak:m/z	Relative Intensity
63.99094	0.5
69.44651	0.5
69.73875	0.6
71.01271	8.2
71.16064	0.4
73.02843	2.6
75.07850	0.5
83.01292	1.4
85.02850	3.9
87.00771	1.4
89.02349	2.6
93.03389	0.9
95.01301	1.5
99.00797	0.9
101.02355	5.9
107.04935	0.5
113.02361	5.7
117.03385	25.3
118.03721	1.4
119.03470	1.8
119.04944	29.4
120.05346	0.8
121.02872	0.9
123.04459	4.0
125.02396	1.6
133.02885	10.1
134.03656	2.3
135.04456	18.3
135.05450	1.2
137.02377	2.3
143.03448	0.8
145.02893	100.0
146.03230	3.8
147.04430	1.1
148.05214	1.6
149.06024	89.5
150.06363	20.9
151.04005	1.3
151.06599	4.9
152.06799	1.3
153.05515	1.9
161.02383	26.5
161.04544	1.2
161.06038	1.5
162.02794	1.9
163.03960	32.8
164.04341	1.3
167.03429	0.7
175.03973	1.2
177.05562	2.0
179.03481	8.3
187.03975	1.5
195.06546	0.6
196.81522	0.6
203.03513	3.3
205.05153	1.6
221.04471	0.9
229.31569	0.6
281.06754	0.8
297.09802	7.0
307.10519	1.1
315.10968	1.7
325.09427	0.6
329.04828	0.7
347.17200	1.3
457.17410	6.6
458.17502	3.3
459.18134	2.0
460.18689	1.5
461.14630	97.3
462.15018	9.9
487.14893	3.9
488.15561	0.6
493.52982	0.6
598.21747	0.6
621.18262	6.1
622.18964	5.1
623.20020	2.3
689.52692	0.6
757.25208	0.8
871.89673	1.0
919.28931	5.4
920.28741	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	919.3628
Annotation	Unknow
Peak:m/z	Relative Intensity
69.70193	1.4
71.01269	3.9
72.96993	0.2
72.99194	0.2
73.02851	1.0
77.03851	0.3
83.01289	0.3
85.02849	1.3
87.00771	1.3
87.04374	0.2
89.02336	2.2
89.03870	0.4
95.01285	0.2
96.95924	0.5
97.02858	0.2
98.19887	0.3
99.00780	0.3
101.02354	2.4
103.03891	0.2
105.03366	0.8
107.04947	0.4
108.02126	0.2
109.02852	0.2
113.02337	1.6
115.01848	0.3
115.03918	0.3
117.03373	1.9
119.03451	1.0
119.04932	1.0
123.04442	0.7
125.02373	0.8
131.03432	0.8
132.02097	3.0
133.02882	44.6
134.03268	1.6
134.11607	0.2
135.04449	13.8
136.04803	0.5
137.06042	0.4
143.03455	0.6
145.02873	0.4
151.04083	0.2
161.02390	100.0
162.02728	4.6
162.03787	0.1
163.06058	0.4
167.10742	3.1
170.77776	0.2
179.03474	5.6
180.03761	0.3
181.12317	0.5
184.37343	0.2
203.05672	0.2
221.06653	0.3
445.17197	0.5
589.21918	0.3
607.22559	0.4
757.33447	0.2
769.25360	1.2
919.36298	37.6
920.36578	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	923.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00194	0.6
71.01248	0.2
75.07638	0.1
83.01254	0.4
89.00224	0.2
89.02344	0.1
91.01797	0.2
96.95900	0.3
101.02350	0.1
107.01299	1.0
108.02116	0.1
109.02845	1.0
113.02348	0.1
115.05428	0.2
117.03381	0.1
119.01318	0.1
119.04914	0.1
121.02879	0.1
123.04482	0.1
125.02399	0.1
131.04924	0.2
132.02089	0.1
133.02879	3.0
135.00789	0.3
135.04468	0.6
137.02327	0.1
139.03914	0.1
143.03401	0.1
143.04982	0.9
145.02878	0.4
145.06540	0.1
147.00815	0.4
147.04422	0.3
149.02338	0.2
149.06017	0.1
150.03104	0.1
151.00313	1.3
155.04942	0.4
157.02882	0.6
159.04437	0.2
160.98712	0.1
161.02386	2.8
161.06046	0.1
163.03998	0.1
169.01385	0.2
169.02898	0.2
171.04469	2.3
172.04799	0.1
173.02434	0.4
175.03978	1.4
178.99779	0.1
179.03438	0.3
182.03664	0.2
183.04459	0.4
185.02429	0.3
187.03967	1.2
189.01843	0.1
189.05536	0.2
197.02444	0.5
198.03200	0.5
199.03989	5.6
200.04311	0.3
201.00058	0.1
201.01930	1.9
202.02440	0.1
203.03458	0.4
211.03880	0.1
213.01883	0.3
214.02687	0.3
215.03493	2.1
216.03996	0.1
225.02100	0.2
226.02710	1.0
227.03505	2.9
228.03870	0.2
229.01463	0.1
231.03040	0.1
241.01457	0.3
242.02283	0.7
243.03020	3.8
244.03371	0.2
245.01003	0.1
253.01489	0.1
254.02229	0.1
255.03020	1.5
256.03433	0.1
270.01788	0.2
271.02536	44.3
271.99921	0.1
272.02872	2.8
282.01700	0.4
298.01276	0.2
299.02032	100.0
300.02475	7.8
301.03250	0.4
313.03586	0.7
314.04294	0.1
315.11142	0.1
461.16339	0.1
568.80676	0.1
607.12970	0.2
621.18652	0.5
623.19958	2.5
624.20294	0.3
859.43933	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	919.2895
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01270	6.3
72.99218	1.1
73.02832	3.2
85.02847	3.0
85.37019	0.5
87.00778	3.2
87.04379	0.5
89.02345	3.9
93.03368	4.9
97.02810	0.6
98.20553	1.5
101.02346	5.0
103.03899	1.1
105.03372	1.0
113.02361	2.7
115.03918	1.4
117.03362	1.4
119.03401	2.2
119.04942	2.3
121.02885	0.9
125.02356	0.7
131.03415	2.8
132.02127	3.2
132.02966	0.5
133.02879	46.8
134.03362	1.2
135.04451	21.8
136.04784	1.0
143.03416	2.9
145.02899	1.8
145.04939	0.5
147.04443	7.6
148.04959	0.6
149.05994	1.5
150.03204	0.6
160.01582	0.7
161.02390	100.0
162.02734	3.4
163.04031	2.6
163.06084	1.8
173.02367	0.5
174.03177	0.6
175.03969	9.1
177.05521	1.4
179.03464	8.1
203.03488	1.6
205.07071	2.9
221.04565	1.1
225.05580	0.6
229.24779	0.5
239.07120	2.6
241.08783	2.4
251.07222	1.9
254.05864	8.8
255.06082	0.6
267.06732	2.0
268.07169	0.8
269.05350	1.1
269.08240	14.4
270.08505	1.1
315.10846	1.7
320.58328	0.6
429.11911	0.7
449.14941	0.7
461.17136	1.4
487.14703	1.0
488.15125	0.9
595.20380	4.4
607.20050	0.9
609.15344	0.7
621.18286	1.3
622.19183	1.0
623.20135	1.6
739.23218	1.8
742.71021	0.6
757.24054	17.7
758.24054	3.0
783.23541	0.7
822.42633	0.6
891.30060	0.8
901.27252	0.7
919.29004	55.3
920.29321	12.5
920.46350	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	921.3585
Annotation	Unknow
Peak:m/z	Relative Intensity
69.55289	4.9
71.01264	11.2
72.99200	1.9
73.02824	5.6
75.86024	0.6
83.01280	1.4
85.02847	5.0
85.99973	1.4
87.00758	7.0
87.04417	2.5
89.02351	4.8
95.01300	0.8
95.66810	0.7
101.02343	6.5
103.03913	2.2
110.00064	0.7
113.02358	4.5
115.03928	2.7
117.03374	3.2
118.63957	0.6
119.03438	1.9
119.04920	1.1
123.04430	1.6
131.03452	5.1
132.02109	2.2
133.02882	42.8
134.03226	1.6
135.04439	13.8
137.02328	1.1
138.03067	0.7
143.03444	5.2
145.02873	9.2
145.04988	0.7
149.02377	1.4
149.06017	3.4
150.03166	2.5
151.03955	1.9
153.71582	0.6
161.02386	100.0
162.02696	4.2
163.03957	0.8
163.06017	1.3
176.01114	2.3
177.01837	2.3
177.05481	4.6
179.03447	11.2
182.68497	0.6
191.05653	0.7
205.07173	2.5
221.04546	7.3
233.04616	1.0
251.05539	1.0
281.06696	4.6
299.16580	10.7
300.16910	0.9
315.15991	0.9
433.20270	6.8
459.18362	1.1
469.13049	1.0
487.14847	3.2
607.20502	1.8
613.26831	2.8
618.26862	0.7
621.18365	9.2
622.18707	1.3
759.32574	10.1
760.32880	1.7
921.35681	87.6
922.36072	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	921.3571
Annotation	Unknow
Peak:m/z	Relative Intensity
65.17559	0.3
69.97692	2.2
71.01273	6.3
72.99186	0.9
73.02837	2.2
79.85062	0.4
83.01286	0.4
83.59187	0.3
85.02834	2.5
87.00767	2.8
87.04430	1.0
89.02347	2.7
95.04879	0.4
98.20497	0.8
101.02346	3.9
103.03928	0.6
105.03367	1.1
113.02371	2.7
115.01752	0.4
115.03928	0.5
117.03383	2.5
118.14797	0.4
119.03408	1.0
119.04952	1.7
121.02876	0.5
123.04472	0.7
131.03435	2.1
132.02104	3.0
133.02885	47.0
134.03262	1.6
135.04454	8.3
136.01488	0.4
136.04817	0.5
138.03131	0.7
143.03429	1.8
143.10760	0.4
145.02884	8.1
148.70047	0.4
149.02423	0.6
150.03172	2.3
151.03920	1.4
161.02391	100.0
162.02718	3.6
163.03961	1.0
177.05502	0.6
179.03467	4.9
199.81908	0.3
203.03348	0.4
204.80272	0.4
205.07175	1.2
221.04625	0.4
297.07806	0.4
299.16626	3.0
314.15210	0.5
315.16022	5.1
316.16403	1.1
402.06097	0.4
433.20291	2.8
451.21533	0.8
461.16895	0.5
465.15787	0.4
487.14841	1.0
590.76355	0.5
607.20496	2.8
608.20898	0.5
613.26880	1.6
621.18304	3.6
692.22900	0.4
759.32178	3.0
760.33734	0.7
921.35730	53.4
922.36084	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	915.2951
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99715	0.2
69.03362	0.3
69.87277	1.0
71.01273	4.8
71.04923	0.2
72.99196	0.5
73.02834	2.1
83.01276	0.5
83.07307	0.2
85.02840	1.7
86.00005	0.3
86.28169	0.2
87.00769	2.4
87.04427	0.4
89.02329	1.5
89.03867	0.4
91.05441	0.2
95.01293	0.5
96.95918	0.3
97.02852	0.7
98.22114	0.2
99.00781	0.4
101.02334	3.1
103.03934	0.5
104.02614	0.4
105.03378	0.8
107.04981	0.3
112.82608	0.2
113.02348	2.0
115.01784	0.2
115.03925	0.4
117.03384	1.1
117.51305	0.2
119.03433	0.7
123.04450	2.5
125.02357	1.1
131.03445	0.9
132.02094	3.4
133.02881	53.5
134.03123	1.8
135.04448	17.8
136.04782	0.5
137.02388	0.2
143.03455	1.0
145.04971	0.2
147.04457	7.5
148.04814	0.3
150.03107	0.3
153.05484	1.9
160.01637	0.2
161.02388	100.0
161.05919	1.7
162.02722	3.9
163.06055	0.2
177.05482	0.2
179.03465	5.6
180.03828	0.3
189.05486	0.4
195.06386	0.2
203.05605	1.7
205.07164	0.2
256.84875	0.2
280.42407	0.2
315.10901	1.2
443.15646	0.2
445.18912	0.2
459.15152	0.8
461.16907	0.6
469.95630	0.2
477.16281	0.2
495.99185	0.2
546.47479	0.2
551.58728	0.2
605.21362	1.6
623.20557	0.4
668.48529	0.2
735.25818	0.3
753.26349	5.4
753.39343	0.3
754.26587	0.8
767.23700	1.0
841.49048	0.2
915.29449	42.1
916.29883	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	915.2957
Annotation	Unknow
Peak:m/z	Relative Intensity
64.77332	0.2
71.01272	2.0
71.57474	0.3
73.02835	0.6
77.03848	0.3
85.02837	0.4
87.00787	0.8
89.02338	1.5
89.03856	0.5
95.01342	0.3
96.95911	0.6
97.02892	0.3
101.02348	1.8
105.03379	0.8
113.02390	0.9
115.01804	0.5
117.03384	12.7
118.03744	0.5
119.03502	0.4
119.04951	8.5
121.02959	0.3
123.04445	0.4
125.02373	0.6
131.03416	0.3
132.02107	3.1
133.02885	52.1
134.03281	1.2
135.04451	12.1
136.04807	0.5
137.06006	0.2
143.03442	0.5
145.02895	34.5
146.03259	1.1
146.79269	0.2
149.06013	0.3
160.01651	0.2
161.02396	100.0
162.02716	3.5
163.03961	7.5
164.04594	0.3
164.40738	0.2
173.42581	0.2
179.03470	4.1
179.07043	0.4
200.83759	0.2
203.03410	0.3
205.05052	0.4
221.06688	0.4
265.07343	0.3
300.15253	0.2
308.61578	0.2
367.10330	0.3
545.80023	0.2
753.26379	8.4
754.25745	1.0
769.25812	4.1
770.26196	0.6
866.71155	0.3
915.29492	34.1
916.29895	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	915.5026
Annotation	Unknow
Peak:m/z	Relative Intensity
64.92143	0.1
70.96093	0.2
70.96424	0.1
78.95795	23.6
85.58578	0.1
96.44934	0.1
96.95906	0.2
96.96873	2.2
150.97937	0.5
152.99529	39.4
153.99895	0.5
165.55713	0.1
171.00597	9.8
209.11868	0.1
227.03267	2.3
245.04350	49.4
246.04736	1.8
253.21770	21.0
254.22105	1.7
255.23340	0.2
256.23602	0.2
279.23456	0.2
297.15170	0.1
331.20786	0.2
369.45331	0.2
433.23746	2.4
434.24109	0.2
452.28085	0.2
481.25821	100.0
482.26199	10.9
482.33380	0.3
656.70172	0.2
710.07306	0.2
915.49115	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	917.4048
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03347	3.4
71.01272	75.0
71.57774	0.7
72.01614	1.2
72.99212	2.7
73.02837	90.1
74.03182	1.7
75.00761	2.6
81.03336	0.9
83.01279	31.8
85.02836	9.2
87.00766	2.2
89.02341	18.0
93.37563	0.5
95.01283	3.2
97.02848	3.2
99.00791	2.9
101.02349	100.0
102.02685	1.3
113.02357	37.8
115.03884	0.6
119.03419	12.6
125.02381	5.5
131.03430	12.0
133.02878	1.4
135.04460	2.4
143.03441	15.3
145.02869	1.4
147.02893	1.6
148.05252	3.7
149.04517	24.5
155.03476	4.0
161.02530	5.2
161.04500	41.7
162.04842	0.8
163.07619	1.7
173.04521	0.7
179.03441	2.1
179.05536	1.8
191.05618	3.8
203.03642	1.3
203.05525	6.3
221.04567	1.4
221.06651	14.5
233.06674	5.0
241.63727	0.6
255.02885	0.8
281.06525	0.6
293.08865	24.0
294.09314	1.1
297.02872	0.6
342.10361	0.6
353.08539	0.7
371.68887	0.7
415.23550	7.1
416.23941	1.1
457.17175	1.2
469.13376	0.7
487.14868	1.3
546.82855	0.7
563.14410	0.9
742.34833	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	919.29
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03357	0.8
70.22773	0.4
71.01272	9.6
71.01665	0.6
71.16018	0.9
72.99212	1.2
73.02834	3.0
83.01273	1.3
85.02847	4.8
85.99961	0.5
87.00777	4.0
87.01246	0.6
87.04417	1.2
89.02342	7.4
91.05443	0.8
93.03362	9.4
93.03926	0.8
94.61724	0.4
95.01305	0.9
99.00811	0.5
101.02350	7.5
103.03894	1.6
105.03372	0.8
105.44564	0.4
105.47559	0.4
108.02032	0.5
111.00748	0.5
113.02366	4.6
115.03906	1.7
117.03384	1.9
119.03385	2.4
119.04914	2.2
121.02879	7.0
123.04452	0.6
125.02390	1.6
131.03474	4.6
132.02107	3.5
133.02882	47.2
134.03523	1.4
135.04446	20.0
136.04752	1.2
137.02328	0.6
143.03448	4.1
145.02882	1.4
145.04973	0.8
147.04457	7.9
148.05028	0.6
149.04544	1.0
149.06006	1.7
159.04494	0.6
160.01665	0.5
161.02396	100.0
162.02711	4.8
163.03970	1.5
163.06056	2.2
163.86882	0.5
164.03499	11.0
164.04764	0.5
173.02406	2.1
174.03174	1.2
175.03975	11.3
177.05515	1.6
178.05084	0.9
179.03467	8.6
180.03824	0.8
189.05676	0.5
203.03523	1.9
205.05354	0.6
205.07132	3.5
221.04454	0.7
223.07622	0.8
227.29509	0.5
237.09279	1.2
239.07143	2.2
240.07921	0.7
241.08768	3.7
251.07225	4.9
253.05125	1.8
254.05869	6.4
254.08360	1.8
255.06425	0.7
267.06815	3.0
269.08246	11.4
269.11032	0.7
270.08484	0.9
284.09320	2.0
293.08835	4.5
295.06165	3.4
315.10855	1.4
330.29575	0.5
421.15176	0.7
429.12085	0.5
449.14090	0.8
461.16772	1.8
487.14774	0.8
578.18866	4.6
595.20343	3.7
621.18353	1.0
623.19702	0.7
739.22534	6.7
740.23157	1.3
757.24207	15.9
758.24677	2.7
850.52203	0.6
891.29877	0.7
901.28864	0.9
919.28949	44.3
920.29156	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	909.2486
Annotation	Unknow
Peak:m/z	Relative Intensity
64.72386	1.9
69.23180	1.8
69.23521	20.8
71.01276	3.8
77.32262	1.7
79.61391	2.0
83.01276	5.6
85.02804	2.0
87.00790	2.7
93.03368	2.4
95.01297	2.2
97.02796	1.8
98.20553	3.8
106.44143	1.7
109.02899	5.3
117.78162	1.9
121.02856	4.2
122.03642	2.7
123.04435	3.3
125.02375	10.2
132.02072	3.8
133.02881	46.0
134.03473	1.8
135.04448	33.9
137.02359	10.3
143.03380	2.3
143.05019	2.1
145.02887	6.2
146.03700	6.1
147.04486	9.8
149.02365	7.7
149.06029	3.0
150.03125	2.4
151.03992	2.7
159.04456	6.5
161.02388	100.0
161.05974	3.5
162.02875	5.8
163.03847	3.8
164.01085	2.9
165.01857	11.1
165.05516	2.1
171.04494	7.8
173.02368	4.5
173.05981	4.7
174.03201	3.2
175.04021	13.9
177.05513	2.6
179.03450	22.7
187.03964	5.3
188.04672	3.2
189.05534	10.9
197.06013	2.6
199.04001	4.7
201.05603	4.5
203.03499	4.4
205.05049	3.7
211.03949	3.3
212.04767	2.6
213.05524	3.9
215.03484	7.5
215.07094	5.7
217.05113	4.7
225.05548	6.7
227.03479	4.3
227.07161	7.1
228.03986	2.2
229.01505	2.2
229.05064	5.8
230.02217	5.4
231.03059	4.8
231.06567	2.5
232.03741	3.5
241.05098	8.5
242.02184	2.8
242.05823	2.1
243.03058	10.6
243.06651	3.7
244.03693	3.5
245.08098	2.3
247.06110	6.4
253.05144	3.0
255.03030	4.0
256.03656	3.8
257.04672	3.9
259.06223	17.8
268.03854	3.5
269.04562	9.3
270.01913	2.6
270.05276	2.0
271.02545	7.5
271.06305	2.8
287.05646	9.9
289.07440	2.6
295.02521	7.1
296.03168	6.7
297.03958	3.6
299.05658	4.1
315.05249	7.7
317.29657	2.2
323.01740	2.0
377.10391	3.3
421.09253	3.2
447.07373	36.2
448.07233	2.5
585.18195	2.3
747.21466	31.3
748.22144	7.4
757.20154	10.8
778.97443	2.2
815.00012	2.0
909.24847	83.9
910.24854	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	909.2483
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00220	0.8
65.63248	0.7
69.03346	1.4
71.01276	3.2
71.43729	1.0
73.02840	1.3
85.02844	1.7
87.00775	1.7
89.02344	1.0
93.03380	2.1
95.01289	2.0
95.04955	0.9
97.02869	2.6
104.78755	0.7
105.03362	0.9
107.04997	1.0
108.02086	1.2
109.02877	6.7
111.00796	1.3
113.02378	1.0
115.03919	0.7
117.03397	1.6
119.04986	0.9
121.02872	3.5
122.03674	3.2
123.00826	2.2
123.04430	4.9
124.01530	0.9
125.02354	8.8
129.03363	1.2
131.03458	1.4
131.04985	0.7
132.02113	2.3
133.02882	48.1
134.03615	2.5
135.04449	30.2
136.04762	1.4
137.02359	9.8
139.03975	2.1
143.03409	1.6
143.04926	1.7
145.02885	4.7
145.06503	0.9
146.03651	4.8
147.04459	10.5
149.02386	6.1
149.06042	2.8
150.03197	1.6
151.04018	1.7
157.06531	0.9
159.04465	6.3
161.02394	100.0
161.06053	2.7
162.02927	5.7
163.00366	1.5
163.03947	4.4
164.01096	1.5
165.01910	10.2
169.06561	1.0
170.03712	1.3
171.04472	5.9
172.05263	2.1
173.02393	5.0
173.04784	0.7
173.06038	3.8
174.03175	3.9
175.03967	17.9
176.04558	0.8
177.01944	0.9
177.05524	4.2
179.03479	13.7
183.04471	2.6
184.05243	1.1
185.06026	2.3
187.03998	7.2
187.07645	1.3
188.04849	3.5
189.05556	9.1
190.02734	1.5
191.03490	1.5
191.07150	2.2
196.05231	0.9
197.06059	3.4
198.03175	0.7
199.04002	3.7
199.07603	1.5
200.04724	1.6
201.01973	1.1
201.05507	4.2
202.06345	0.8
203.03473	9.8
203.07120	1.7
204.04041	1.1
205.05110	4.1
205.06862	1.0
209.06039	1.2
211.04013	3.2
211.07458	0.9
212.04716	4.5
213.05481	4.3
214.02748	2.5
214.06155	1.3
215.03517	6.8
215.07123	4.9
216.04198	1.6
217.05064	4.1
221.04575	1.4
224.04701	1.4
225.05568	6.7
226.06172	1.9
227.03487	4.8
227.07095	6.0
228.04382	2.3
229.01439	2.5
229.05067	3.7
230.02205	5.7
230.05724	1.3
231.02881	3.5
231.06636	1.5
232.03871	1.4
240.04222	1.1
241.05042	6.9
242.02293	2.9
242.05820	2.3
243.03035	11.1
243.06677	2.7
244.03687	2.4
245.04594	2.9
247.06119	5.5
252.04111	0.9
253.05125	2.2
254.05775	1.6
255.03023	4.9
255.06802	1.1
256.03827	1.9
257.04620	5.0
258.05179	1.0
259.06146	16.7
260.06482	1.4
267.06671	1.1
269.04675	6.1
270.01700	1.6
270.05334	2.4
271.02557	7.4
271.06140	2.6
272.03378	0.9
273.04117	2.4
283.02734	0.9
285.04074	1.3
286.04938	1.8
287.05695	9.3
288.06128	0.9
289.07123	1.6
297.04190	2.2
298.04849	1.9
299.02307	1.3
299.05728	3.8
315.05154	5.6
339.06842	0.7
377.10519	2.4
394.06671	1.0
403.08282	1.0
421.09390	5.8
439.10931	1.0
452.12115	0.8
465.27170	7.4
487.14685	1.2
498.01697	0.8
585.18549	2.2
585.77417	1.0
601.15601	0.8
703.22449	0.9
729.19989	1.5
747.21582	52.2
748.21875	11.2
749.53156	0.7
757.20013	6.2
758.19843	1.5
773.19727	1.1
821.28845	0.9
909.24805	68.4
910.25342	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	909.2482
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03338	1.6
69.34930	0.7
69.64197	4.9
70.36208	0.8
71.01264	5.9
73.02837	3.6
83.01265	6.8
85.02845	4.4
87.00754	3.6
87.04407	1.4
89.02335	2.4
93.03353	2.6
95.01302	2.2
95.04909	0.8
97.02859	2.7
98.19858	0.9
103.03925	1.0
105.03400	0.8
107.04938	1.1
108.02073	1.8
109.02856	8.1
111.00798	1.5
112.19658	0.7
113.02373	1.9
115.03928	2.0
117.03370	1.7
121.02875	5.3
122.03653	6.3
123.00784	2.5
123.04458	7.7
124.01582	2.0
125.02364	12.3
129.03352	0.7
131.03444	1.5
131.04924	0.9
132.02095	2.1
133.01878	0.9
133.02884	24.6
134.03600	2.6
135.04457	34.7
136.04768	1.4
137.02374	13.4
139.03960	2.1
143.03424	2.2
143.04929	2.6
145.02885	7.0
145.06566	0.9
146.03677	7.6
147.04454	13.7
148.01501	1.1
148.05215	2.5
149.02412	8.8
149.06018	9.1
150.03104	2.3
151.03920	2.5
154.02684	1.6
155.04968	1.3
157.02892	1.1
158.03639	0.9
159.04460	9.8
160.01558	1.3
161.02397	78.3
161.05974	3.9
162.03043	5.2
163.00331	2.0
163.03976	5.1
164.01062	2.5
165.01889	12.6
165.05528	1.0
169.06602	1.3
170.03633	2.1
171.04477	9.4
172.05194	2.6
173.02405	6.7
173.06042	5.8
174.03203	4.5
175.03970	18.5
176.04672	2.0
177.01874	1.4
177.05524	14.3
179.01872	1.2
179.03470	23.9
180.03806	1.2
181.05049	1.0
181.06560	1.1
183.04492	3.6
184.05237	2.2
185.06058	3.6
186.03149	1.1
187.03987	9.9
187.07645	1.1
188.04753	4.5
189.01894	1.5
189.05556	15.3
190.02686	2.7
191.03448	2.4
191.07126	2.9
196.05325	1.1
197.06021	4.0
198.03145	1.8
199.04007	5.2
199.07648	2.4
200.04742	2.3
201.01871	2.1
201.05583	5.7
201.91635	0.7
202.06091	1.1
203.03459	6.6
203.07150	1.8
204.04247	1.4
205.05099	6.3
209.06064	2.3
211.04015	4.5
212.04703	5.9
213.05544	7.6
214.02689	2.6
214.06297	1.3
215.03531	13.8
215.07027	5.8
216.04056	1.6
217.05055	6.1
221.04597	12.0
224.04776	1.4
225.05559	10.7
226.02582	1.4
226.06265	3.0
227.03590	7.8
227.07103	8.6
228.04179	2.6
229.01445	2.5
229.05061	7.4
230.02216	8.3
230.05600	1.4
231.03014	5.9
231.06628	2.3
232.03839	4.6
233.04446	1.4
239.03519	1.2
240.04189	2.5
241.05099	12.9
242.02217	4.8
242.05843	1.7
243.03029	15.6
243.06619	4.0
244.03687	5.8
245.04648	3.7
245.08215	0.9
246.05278	1.7
247.06145	6.7
251.03441	1.3
251.05724	1.0
252.04179	0.8
253.05133	6.3
254.05943	2.8
255.03073	6.2
255.06578	2.3
256.03867	4.8
257.04572	8.2
258.05472	1.0
259.06180	24.1
260.06567	2.1
267.03000	0.7
267.06671	2.1
268.04004	1.0
269.04581	11.2
270.01761	2.8
270.05289	3.8
271.02518	9.4
271.06110	5.0
272.03235	1.1
273.04135	2.5
281.04089	1.0
281.06891	3.7
283.02667	1.0
283.05966	1.0
285.04153	1.4
286.04855	2.2
287.05688	13.2
288.06131	1.5
289.07059	3.4
297.04108	2.7
298.04865	2.9
299.05685	5.2
311.05643	1.6
315.05179	8.7
318.53207	0.9
333.07690	0.9
334.08411	1.5
335.09375	1.5
353.09946	1.1
377.10336	4.6
394.07013	1.8
403.08105	1.0
406.55875	0.8
411.74780	0.7
421.09354	6.9
487.15216	1.0
530.07312	0.7
585.18469	2.3
595.16907	2.2
654.13885	0.8
747.21606	33.4
748.22217	4.9
757.19995	15.7
758.20972	3.7
772.52765	0.9
909.24811	100.0
910.25226	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	899.2377
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00211	0.5
69.90386	1.5
70.25755	0.3
70.46374	0.3
74.02372	0.9
83.01270	0.7
88.19079	0.2
95.17788	0.3
98.19879	0.4
107.01300	1.8
108.02081	0.7
109.02859	1.0
118.22908	0.3
121.02879	1.2
121.20017	0.3
125.02396	0.3
137.51051	0.3
148.01581	0.7
151.00307	7.5
151.01515	0.4
161.01091	0.3
161.02396	1.3
162.02768	0.3
162.21660	0.3
163.00320	1.4
164.01135	0.4
169.01384	0.6
169.47473	0.3
175.04045	0.3
178.99808	3.3
192.00667	0.4
203.08241	0.5
211.03999	0.6
216.04280	0.3
226.02689	0.6
227.03471	1.3
228.04187	0.3
229.05092	0.7
243.02985	4.4
244.03572	0.9
245.04504	0.8
245.09380	1.0
246.09708	0.4
254.02243	1.3
255.03018	15.2
256.03442	0.9
271.02530	32.2
272.02963	2.7
273.04086	0.8
283.02640	0.9
299.02090	0.7
300.02808	62.9
301.03531	26.8
302.03943	1.3
343.04507	0.8
447.69138	0.4
608.21338	0.4
609.14697	100.0
610.15033	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	901.4825
Annotation	Unknow
Peak:m/z	Relative Intensity
64.31845	0.5
69.03332	1.1
71.01273	16.6
71.04899	2.6
71.59309	0.9
72.99195	0.8
73.02831	1.9
81.03334	0.6
83.01274	1.8
83.04915	0.8
85.02836	1.7
87.00771	2.3
89.02332	6.9
95.01267	0.6
95.04923	1.1
95.29569	0.5
97.02856	5.0
97.06487	3.0
99.00166	1.2
99.00779	14.6
101.02343	6.5
106.04124	0.7
109.06485	1.6
111.04494	0.5
113.02360	3.1
119.03426	1.3
123.08068	2.1
125.02372	2.1
125.09637	7.6
127.11102	0.7
131.24933	0.6
135.08083	0.9
143.03354	0.8
145.10104	0.6
161.04474	0.9
163.11240	9.6
171.10240	5.2
179.05537	0.7
181.12320	11.3
190.24513	0.6
197.11761	1.0
199.13383	4.8
201.11176	0.7
207.10260	19.5
208.10596	1.3
221.06659	1.1
225.11337	27.5
226.11618	1.3
235.08195	1.3
243.12416	11.0
277.21796	25.8
278.22095	2.8
313.14667	0.8
351.56570	0.5
357.16272	0.6
379.12415	1.1
382.75775	0.6
397.13547	4.8
399.41666	0.6
411.28125	0.6
415.14835	1.1
434.68216	0.7
446.14459	0.6
623.25592	1.6
641.26617	1.2
846.17358	0.7
883.47101	1.1
899.89050	0.9
901.48236	100.0
902.48492	26.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	908.5078
Annotation	Unknow
Peak:m/z	Relative Intensity
69.81589	0.4
78.95795	56.8
96.96867	7.0
140.01144	0.7
150.97980	2.0
152.99530	100.0
153.99872	1.4
156.03310	0.1
171.00597	4.8
173.78862	0.1
196.03775	0.6
203.07634	0.1
214.04863	1.1
244.75337	0.1
261.22342	0.2
277.21808	0.8
279.23352	38.4
280.23694	3.1
300.06320	0.1
431.22113	34.8
432.22476	3.5
435.88092	0.1
476.27942	21.3
477.28235	2.5
509.34128	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	905.2746
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03336	0.4
69.27351	1.5
69.27776	2.5
71.01270	7.2
72.99209	0.7
73.02831	2.2
79.52570	0.4
81.19437	0.4
83.01283	1.0
83.81612	0.4
85.02842	3.1
87.00782	2.7
89.02341	3.6
93.03358	10.1
95.01270	0.4
95.04922	0.4
96.52853	0.3
98.19768	0.6
99.00771	0.8
101.02344	5.9
102.93377	0.4
103.03949	0.8
105.03397	0.7
107.04961	0.7
112.13367	0.4
113.02361	3.1
115.01789	0.4
115.03955	0.6
117.03387	1.5
119.03427	1.4
123.04443	2.4
125.02373	1.4
131.03456	1.9
132.02097	3.8
133.02884	49.7
134.03157	2.2
135.03415	0.8
135.04446	16.5
136.01518	0.5
137.02376	14.6
143.03445	1.2
145.02907	1.0
151.03979	0.5
153.05504	2.0
159.02921	0.4
160.01653	0.4
161.02396	100.0
162.02698	4.7
163.03993	0.4
163.06068	0.7
179.03455	6.9
179.05284	0.4
180.03827	0.5
181.19089	0.4
203.03670	0.4
203.05589	1.1
205.07230	0.6
221.06674	1.3
239.05536	1.5
281.06680	0.4
299.02142	0.5
315.10931	1.6
341.08829	3.8
446.38885	0.5
459.14743	0.9
461.16614	2.3
477.16269	2.4
487.14371	2.2
581.18951	1.6
605.20953	0.8
623.22589	2.8
711.23291	0.5
743.23315	12.6
744.23401	2.2
785.25897	0.8
890.91980	0.4
905.27417	48.1
906.27692	10.5
923.89417	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	907.233
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02258	0.6
64.99891	0.2
65.00171	0.7
70.90362	0.2
70.90702	0.2
73.02858	0.1
83.01282	0.5
85.02834	0.2
87.00745	0.1
89.00191	0.1
91.01776	0.1
92.99713	0.2
93.03331	0.6
96.95916	2.1
96.96825	0.1
101.02371	0.2
107.01288	1.2
109.02863	0.4
113.02322	0.2
117.03375	2.2
119.04967	0.1
121.02871	0.2
123.04452	0.4
125.02383	0.2
132.02151	0.1
133.02888	2.2
135.00818	0.4
135.04446	2.1
137.02318	0.2
141.03389	0.5
143.04919	0.3
144.54385	0.1
145.02910	0.4
147.04488	0.1
149.05998	0.2
150.03174	0.2
151.00307	1.3
151.03995	0.1
155.04961	0.9
157.02895	0.2
159.04443	1.3
161.02397	4.7
162.02780	0.2
163.03943	0.1
167.04980	0.3
169.01396	0.2
169.02815	0.2
171.04500	1.1
173.02359	0.3
173.06029	0.3
175.03952	0.4
177.05496	0.3
179.03452	1.8
180.57306	0.1
182.03732	0.8
183.04483	5.8
184.04831	0.3
185.02409	0.9
185.05930	0.1
187.03889	0.6
197.02498	0.2
198.03143	0.1
199.03972	1.4
201.01964	0.3
203.03543	0.6
209.02596	0.1
210.03006	0.2
211.03999	2.8
213.01984	0.1
215.03473	0.8
221.04593	0.3
226.02765	0.6
227.03511	7.5
228.03905	0.5
239.03470	0.2
243.03032	0.9
245.34731	0.1
251.05771	0.2
255.03030	36.2
256.03430	2.7
271.02551	9.7
272.02844	0.7
281.06555	0.6
282.01746	0.3
283.02551	100.0
284.03049	11.8
285.04010	1.4
299.02039	25.1
300.02542	2.6
301.03519	0.7
341.08841	0.5
351.93329	0.1
487.14609	0.4
537.48547	0.1
569.10242	0.1
584.35590	0.1
621.18140	1.4
622.19257	0.2
622.64862	0.1
623.19910	0.9
907.34393	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	898.4822
Annotation	Unknow
Peak:m/z	Relative Intensity
68.01297	1.0
68.99692	1.1
69.03353	2.5
71.01272	55.7
71.30377	0.8
72.01639	0.6
72.99179	2.7
73.02831	4.9
75.00765	0.8
77.31100	0.5
81.02077	4.0
81.03357	1.5
82.02869	3.9
83.01277	3.8
83.04936	1.2
85.02837	7.6
86.00004	0.6
87.00776	6.7
89.02338	29.1
90.02691	0.8
92.04946	0.6
94.02882	3.1
95.01298	2.2
95.04911	1.6
96.03854	1.1
96.04451	14.9
97.02862	4.4
99.00770	2.6
99.04390	0.5
101.02346	27.9
102.02644	0.5
106.06555	0.7
107.03685	3.6
107.04923	0.4
108.04467	2.0
109.02898	0.7
109.06502	0.6
110.06023	1.2
111.00810	0.5
111.04379	0.9
113.02357	13.0
115.03908	0.5
119.03416	9.1
121.02901	0.7
122.05982	0.7
125.02363	8.0
125.05965	0.7
127.03890	0.5
127.07584	1.1
130.59004	0.6
131.03419	1.6
135.06793	0.7
139.03917	0.6
141.01860	1.0
141.09131	0.6
143.03410	4.5
145.05098	0.5
147.12886	0.5
148.11307	0.7
149.04526	1.1
151.89835	0.5
160.11275	2.2
161.04504	6.0
161.09651	1.3
168.10258	24.8
169.10579	1.4
176.10727	1.0
178.12335	15.2
179.05574	8.5
179.07140	0.6
179.10703	0.5
185.04488	0.8
186.09235	1.6
195.10201	0.6
196.13409	7.0
197.13602	0.9
199.06213	0.9
199.97911	0.6
204.10294	9.7
206.11862	0.6
217.07182	1.0
221.06683	3.9
222.11359	100.0
223.11761	4.9
235.08261	7.0
240.12428	11.7
253.09303	1.7
253.44337	0.5
263.07727	1.3
277.21780	87.6
278.22131	7.8
287.07834	0.8
305.08817	2.0
323.09769	1.8
379.12604	2.9
397.13611	66.8
398.13956	5.3
415.14655	17.8
416.15198	1.2
513.69043	0.5
529.36823	0.5
602.24634	5.1
603.24872	0.9
620.25653	7.7
621.26154	0.9
638.26880	5.3
639.26831	0.7
657.35095	0.6
675.36224	1.9
676.36133	0.7
718.41760	1.5
880.46747	3.7
881.47858	1.8
898.48236	62.1
899.48669	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	898.4823
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99702	0.6
69.03336	1.5
70.44793	0.9
70.45155	1.2
71.01272	38.9
72.99197	1.9
73.02834	3.2
75.00778	0.5
81.02092	4.4
81.03363	1.4
82.02873	4.6
83.01285	2.5
83.04926	0.7
84.02025	0.5
85.02845	4.4
87.00773	5.4
88.67827	0.4
89.02340	20.1
93.99505	0.4
94.02884	4.1
95.01309	1.1
95.04907	1.1
96.04453	19.2
96.11405	0.5
97.02843	2.9
97.06509	0.8
99.00782	1.1
99.04410	0.6
101.02348	18.3
106.06524	0.5
107.03695	4.1
108.04467	2.5
109.06501	0.8
110.06023	1.9
111.00789	0.6
111.04403	0.5
113.02357	9.8
119.03416	5.8
120.04482	0.8
121.02830	0.6
122.06015	0.9
122.09695	1.1
123.08086	0.8
125.02362	5.2
125.06049	0.6
127.07586	1.1
131.03401	1.2
135.06819	0.6
139.03951	0.7
141.09096	0.5
143.03452	3.1
149.04530	0.6
158.09756	0.5
160.11263	1.7
161.04488	5.1
161.09679	0.9
168.10252	31.6
169.10625	1.3
169.12234	0.4
176.10713	0.7
178.12329	19.1
179.05582	10.4
179.10770	0.7
179.12668	0.8
180.05780	0.6
186.09196	1.1
195.10205	0.7
196.13396	7.5
197.13803	0.5
204.10295	10.9
217.07111	0.7
221.06689	5.8
222.11360	100.0
223.11749	5.7
224.12923	0.6
235.08247	3.3
240.12444	15.0
246.11366	0.6
253.09343	1.4
263.07834	0.7
277.21790	36.9
278.22186	3.0
287.07806	0.8
305.08798	1.3
323.09955	1.5
379.12585	2.3
397.13608	31.3
398.13712	1.6
415.14648	11.7
426.17865	0.5
440.19412	0.9
602.24689	5.9
603.24908	0.8
620.25732	12.6
621.26306	2.4
638.26807	11.4
639.27222	1.4
675.36444	0.8
718.41687	1.0
753.55750	0.5
880.47614	3.0
881.47369	2.0
898.48260	51.8
899.48596	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	898.4803
Annotation	Unknow
Peak:m/z	Relative Intensity
66.03369	0.7
66.49320	0.4
69.03338	1.7
71.01270	18.5
71.59052	0.7
72.99192	1.8
73.02834	2.7
75.00720	0.5
81.03336	0.9
83.01273	2.0
83.04894	1.0
84.04451	2.5
85.02853	4.0
87.00771	3.8
89.02338	13.3
92.41206	0.4
94.02851	0.9
95.01282	1.4
96.04412	0.8
96.95830	0.4
97.02847	1.8
97.06483	0.7
99.00758	1.3
101.01697	0.9
101.02346	13.0
102.24397	0.4
106.06528	2.8
107.03648	0.8
108.04474	0.7
109.02811	0.6
110.06010	0.7
111.00787	0.6
111.08059	0.9
113.02351	6.1
118.06551	0.9
119.03424	3.4
122.06046	0.5
124.07616	0.6
125.02393	2.9
125.48216	0.4
125.62191	0.4
127.07500	0.7
131.03346	0.6
137.09601	0.5
141.96394	0.5
143.03407	1.3
148.11307	0.6
149.04495	0.7
151.11206	2.4
158.57207	0.4
160.11284	3.9
161.04475	2.2
161.09630	0.5
167.10698	1.9
167.11943	0.4
169.12274	0.4
171.10226	7.3
176.10786	0.7
178.12296	3.7
179.05573	4.8
194.11836	25.0
195.12106	1.0
204.10306	3.5
209.11823	1.2
221.06660	5.3
222.11365	16.5
223.11761	0.9
224.12894	0.9
228.17155	0.5
235.08176	1.5
240.12433	27.6
241.12694	1.3
242.11603	0.6
263.07730	0.5
277.21771	24.8
278.22168	2.1
299.16315	0.5
305.08569	0.7
319.74527	0.5
371.35342	0.5
379.12415	0.8
397.13574	12.7
398.13809	0.8
415.14746	5.4
458.19678	0.4
602.24396	0.7
620.25604	7.2
621.26093	0.7
638.16052	0.7
638.26801	10.8
639.26929	1.3
675.35468	1.0
718.41547	1.5
880.47260	3.0
898.48254	100.0
899.48590	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	898.4811
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99699	0.9
69.03336	1.8
69.43970	0.8
71.01267	27.0
71.57309	1.0
71.57732	1.1
72.01596	1.0
72.99197	1.1
73.02839	4.8
83.01277	2.2
84.04443	1.0
85.02841	4.0
87.00762	4.1
89.02338	12.0
94.02914	0.9
95.01257	1.8
97.02848	2.8
99.00771	1.2
101.02357	12.3
106.06529	0.8
108.89410	0.8
113.02340	6.3
119.03455	4.6
125.02386	4.6
127.07542	1.4
131.03450	0.8
143.03410	2.2
151.11226	2.9
160.11214	1.9
160.54181	1.0
161.02414	0.9
161.04471	1.6
167.10709	1.0
171.10234	7.0
172.10526	1.3
178.12428	1.1
179.05553	3.0
185.71971	0.8
194.11855	12.2
204.10219	1.0
221.06618	2.0
222.11356	16.2
223.11775	0.9
225.11348	1.3
235.08304	2.3
240.12445	16.7
253.68665	0.9
255.23282	3.5
256.23688	1.6
277.21790	39.8
278.22073	4.2
323.09637	0.9
357.15137	0.8
379.12469	1.6
380.12338	1.0
397.13586	23.3
397.74866	1.0
398.13745	2.4
415.14716	6.5
463.11206	0.9
620.25751	3.6
638.26746	3.7
675.36749	1.4
718.41608	1.6
764.92218	0.8
771.37994	1.1
880.47656	4.2
898.48254	100.0
899.48688	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	893.4271
Annotation	Unknow
Peak:m/z	Relative Intensity
62.96307	0.2
64.75143	0.1
71.31081	0.1
78.95794	50.5
89.46268	0.1
96.96862	6.5
102.69739	0.1
117.02511	0.1
117.03383	0.1
120.19930	0.1
145.02881	0.1
150.97015	0.0
150.97960	1.7
152.99524	100.0
153.99863	1.3
171.00598	4.1
172.00903	0.1
277.21777	0.6
431.22101	38.2
432.22440	4.1
461.19958	0.2
755.93225	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	893.5593
Annotation	Unknow
Peak:m/z	Relative Intensity
69.32641	0.4
69.33055	0.9
74.99967	0.1
93.03345	0.9
98.20538	0.4
109.02898	0.2
114.65354	0.1
117.03382	1.1
119.04947	2.9
121.02861	0.2
123.04392	0.3
128.12688	0.1
133.02821	0.1
145.02888	7.7
146.03247	0.4
162.03180	0.2
163.03925	0.4
169.06543	0.5
183.08112	0.5
193.06548	0.2
197.22449	0.2
209.06068	0.4
210.06860	8.3
211.07634	100.0
212.07973	6.5
233.22630	0.2
259.20938	0.2
275.19989	0.2
277.21777	40.3
278.19037	0.2
278.22104	3.6
299.16589	5.2
300.16870	0.5
313.14508	0.5
314.14868	0.4
315.16074	14.3
316.16422	1.4
337.20953	0.1
461.19775	0.2
532.28986	0.1
615.33362	0.6
616.33942	0.2
735.78235	0.2
815.81165	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	890.2747
Annotation	Unknow
Peak:m/z	Relative Intensity
70.02878	1.4
71.56270	0.6
71.56626	0.4
72.00817	1.7
73.02836	1.4
83.01292	0.4
85.02831	0.9
87.00794	1.1
89.02346	3.5
91.05428	1.1
97.02879	0.3
101.02350	4.0
105.03382	0.6
113.02366	1.8
117.03391	1.0
119.03475	1.9
119.04940	1.4
123.04452	2.0
125.02373	0.9
128.00681	0.3
128.29272	0.3
131.03452	1.2
132.02089	1.2
133.02885	31.9
134.03275	1.4
135.04451	19.0
136.04788	0.9
143.03424	0.8
147.04469	9.6
148.04866	0.4
153.05553	0.9
161.02397	89.3
162.02736	3.6
163.04099	0.4
164.07129	20.3
165.07463	0.8
177.01944	0.4
177.05295	0.3
179.03467	7.8
179.05577	0.7
179.51840	0.3
180.03757	0.5
203.03459	0.4
206.08211	23.5
207.08604	0.8
221.06686	1.8
288.50323	0.4
315.10959	1.7
326.09384	0.4
331.56863	0.4
459.15250	1.1
477.16275	6.5
478.16449	0.5
639.19452	100.0
640.19812	15.1
879.74194	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	893.2537
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03339	1.4
69.37663	1.4
69.38062	7.1
71.01268	10.8
72.99196	1.1
73.02834	4.4
76.96808	0.7
81.02065	0.7
81.03354	0.8
83.01269	9.0
85.02844	5.1
87.00770	3.1
89.02331	2.7
93.03350	4.6
95.01286	2.8
97.02863	3.4
99.00768	1.7
101.02337	7.8
108.02061	1.0
109.02855	7.8
111.00784	2.2
113.02361	3.4
113.96910	0.7
115.03941	0.8
117.03375	24.7
118.03757	0.7
119.03542	1.0
119.04939	21.0
121.02866	6.0
122.03657	3.7
123.00797	3.6
123.04426	8.5
124.01560	3.2
125.02368	15.4
126.51440	0.7
129.03337	0.8
129.07391	0.7
131.03383	1.4
131.04956	1.5
133.02872	5.9
133.06514	1.8
135.00859	0.6
135.04449	5.8
136.01584	1.3
137.02373	15.6
139.03958	4.1
143.03398	1.6
143.04921	3.2
145.02887	61.9
146.03700	6.9
147.04463	17.6
148.01631	0.7
149.02386	9.5
149.05984	2.4
150.03128	2.1
151.00215	0.8
151.03929	3.3
154.02652	1.2
155.04941	1.3
157.02861	0.8
157.06546	1.0
158.03630	1.5
159.04443	11.8
160.01637	0.9
160.05138	1.4
161.02379	26.8
161.04521	2.0
161.06020	6.1
162.03172	5.0
163.00278	2.4
163.03952	24.0
164.01091	2.9
164.04765	9.2
165.01884	17.0
169.06477	1.2
170.03716	1.6
171.04469	9.4
172.05220	3.3
173.02403	8.0
173.06039	8.4
174.03188	5.7
175.03958	20.8
176.01074	1.4
176.04446	2.2
177.01912	1.6
177.05493	3.1
179.03444	2.4
179.07109	10.0
183.04474	3.3
184.05209	2.2
185.06062	4.9
186.03160	1.3
187.03978	17.2
187.07648	1.1
188.04738	4.5
189.01866	1.5
189.05537	16.3
190.02679	1.3
191.03519	3.5
191.07071	4.0
196.05157	1.0
197.06017	3.6
199.03966	5.6
199.07646	3.2
200.04774	3.5
201.01898	2.7
201.05559	7.8
202.06158	1.1
203.03448	4.9
203.07074	2.4
204.04231	1.9
205.05060	8.3
206.05457	1.0
209.06071	2.8
210.06757	0.9
211.03979	5.9
211.07365	0.7
212.04736	5.6
213.05537	7.2
214.02731	3.4
214.06290	2.0
215.03523	11.0
215.07097	8.0
216.04112	2.2
217.05063	6.3
224.04672	1.5
225.05592	10.0
226.02747	1.1
226.06268	1.8
227.03558	5.7
227.07141	8.8
228.04216	2.3
229.01457	2.2
229.05032	7.3
230.02217	10.8
230.05704	1.8
231.03067	4.7
231.06532	2.3
232.03786	2.5
233.04556	1.3
237.05504	1.0
240.04228	1.2
241.05067	9.8
242.02295	5.3
242.05858	3.4
243.03000	15.6
243.06511	3.6
244.03717	4.9
245.04593	5.4
245.08295	1.9
246.01755	0.9
246.05269	1.0
247.06149	7.8
249.05591	0.9
252.04224	0.9
253.05156	6.3
254.05780	2.6
255.02948	5.5
255.06648	2.3
256.03830	3.6
257.04642	5.8
259.06146	31.2
260.06616	2.0
267.06583	1.8
269.04581	6.7
270.02054	3.6
270.05249	3.1
271.02524	12.7
271.06100	4.0
272.03262	1.1
273.04138	3.1
277.07236	1.6
281.04556	1.2
285.04160	1.8
286.04785	2.1
287.05695	16.9
288.06158	1.0
289.07281	3.7
297.04059	3.1
298.04849	3.6
299.05698	7.2
300.06042	1.0
315.05142	9.0
316.05212	0.8
331.09451	0.8
331.17703	1.6
335.09088	1.4
341.12473	1.5
349.18655	2.0
376.48346	0.8
377.10391	5.2
383.13492	2.2
391.19659	2.5
394.06946	2.0
403.08313	1.4
411.11337	0.9
420.08755	1.2
421.09369	10.1
422.09592	1.0
438.09488	1.0
439.10236	2.9
447.26050	2.0
453.84009	0.8
465.27115	50.7
466.27573	1.8
585.18280	3.6
703.22412	1.0
729.20764	3.2
731.22107	12.9
732.22681	1.5
741.20459	7.6
742.21118	2.6
747.21497	32.4
747.35175	1.7
748.21985	5.1
771.21667	1.1
875.23816	1.3
893.25275	100.0
894.25574	24.6
894.43604	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	897.4358
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03345	2.0
71.01272	31.1
71.58007	1.7
72.99195	3.2
73.02848	5.6
83.01296	3.8
85.02847	8.5
87.00770	13.1
89.02338	23.7
95.01330	2.4
96.95934	1.2
97.02869	3.9
99.00793	1.0
101.02347	24.0
102.39417	1.0
111.00785	1.4
113.02364	15.3
119.03439	6.6
123.15279	1.0
125.02377	8.3
131.03433	4.4
143.03452	3.1
157.04971	1.0
161.04512	6.6
179.05559	9.9
180.05858	1.0
203.05540	1.3
219.92453	0.9
221.06641	5.6
235.08405	2.4
277.21796	14.9
282.97372	1.1
323.09802	1.7
379.12451	2.4
383.11960	1.8
397.13669	6.9
415.14691	3.7
449.12933	1.1
485.14935	1.8
559.18896	100.0
560.19208	10.8
577.20038	29.6
578.20221	4.0
837.41443	9.6
838.42139	3.3
896.83582	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	885.4876
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99716	0.2
69.03352	0.7
71.01270	12.7
71.04926	0.2
72.01611	0.2
72.99204	1.1
73.02835	1.9
75.00770	0.2
80.02575	1.1
81.03346	1.9
83.01277	1.5
83.04916	4.7
84.02053	0.8
85.02847	2.7
87.00776	2.7
87.04414	0.1
88.01116	0.1
89.02339	10.6
90.02675	0.2
91.03913	0.1
93.03355	0.3
95.01285	1.1
95.04925	0.7
97.02850	1.8
97.06496	0.1
98.19769	0.3
99.00780	0.8
99.04434	0.2
101.02351	9.7
102.02701	0.2
103.03903	0.2
109.02855	0.3
109.06496	0.3
111.00790	0.3
111.04418	0.4
111.08054	0.2
113.02359	6.2
115.03932	0.2
119.03418	3.1
121.02870	0.2
123.00745	0.1
123.04431	0.1
124.01564	0.4
125.02372	5.3
125.05979	0.7
125.09698	0.2
126.02657	0.1
127.03922	0.2
131.03439	0.6
133.05005	0.3
135.08121	0.6
137.02414	0.1
139.03943	0.5
139.07587	0.2
141.01852	0.3
143.03432	2.0
147.11696	0.3
149.04468	0.5
155.03502	0.1
161.04518	2.9
163.03920	0.1
163.11234	3.8
164.11659	0.1
165.12798	2.3
166.13054	0.1
167.03450	0.5
169.05005	0.1
169.52113	0.1
172.23659	0.1
179.03320	0.1
179.05563	3.7
181.05078	0.1
181.12314	0.7
185.04523	0.1
189.12845	0.2
191.10764	0.9
199.06111	0.5
203.05595	0.2
207.10237	0.1
209.11819	100.0
210.12160	5.4
211.13298	0.1
217.07137	0.6
221.06671	1.3
223.13261	0.2
225.11377	0.1
226.11642	0.1
227.12886	11.2
228.13182	0.6
233.11940	0.2
233.22763	0.1
234.79092	0.1
235.08253	4.7
236.08478	0.2
245.06700	0.3
251.13000	0.8
253.09320	0.7
259.08255	0.5
259.20786	0.2
263.07809	0.4
269.06857	0.1
275.20288	0.2
277.21777	41.8
278.22098	3.1
281.13788	0.1
287.07794	1.9
291.23343	0.2
301.09311	0.2
305.08862	2.2
319.10153	0.1
323.09848	1.2
361.11569	0.3
367.64206	0.1
379.12521	6.5
380.12756	0.4
397.13593	33.5
398.13950	2.3
413.18201	0.3
415.14676	7.6
416.15103	0.6
497.20422	0.2
589.24902	0.8
607.26422	1.6
608.26990	0.1
657.35437	0.2
675.35846	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.4874
Annotation	Unknow
Peak:m/z	Relative Intensity
64.88024	0.1
67.01782	0.2
68.99713	0.3
69.03342	1.0
69.42492	0.1
71.01270	16.9
71.04901	0.1
72.01635	0.3
72.99197	1.4
73.02835	2.5
75.00764	0.4
78.95792	0.2
80.02565	1.3
81.03352	1.9
82.05380	0.1
83.01273	2.1
83.04918	4.7
84.01606	0.1
84.02049	0.6
85.02842	4.3
85.99982	0.2
86.03197	0.1
87.00230	0.2
87.00770	4.3
89.02338	12.7
90.02679	0.2
91.03902	0.3
93.03343	0.3
95.01285	1.2
95.04929	0.8
97.02846	2.8
97.06471	0.3
99.00782	0.9
99.04452	0.2
101.02348	11.8
102.02696	0.2
106.04115	0.1
107.04943	0.1
108.80855	0.1
109.02850	0.4
109.06505	0.4
111.00800	0.4
111.04427	0.5
111.08025	0.2
112.01577	0.1
113.02357	6.7
113.06011	0.2
113.98372	0.1
114.02689	0.2
115.03926	0.2
119.03418	3.2
121.02876	0.3
123.00826	0.2
123.04435	0.2
124.01623	0.2
125.02365	5.7
125.06004	0.6
125.09676	0.1
126.02715	0.1
127.03922	0.2
127.44261	0.1
131.03430	0.5
133.04996	0.4
135.08122	0.6
137.09724	0.1
139.03923	0.6
139.07605	0.1
141.01863	0.4
143.03439	2.4
145.05013	0.3
147.11769	0.2
149.04462	0.5
151.03900	0.1
155.94485	0.1
157.04945	0.1
161.04510	3.2
163.06239	0.1
163.11241	4.0
165.12813	2.2
166.13115	0.2
167.03447	0.3
169.05023	0.2
179.03355	0.2
179.05571	3.2
181.12267	0.7
185.04488	0.2
191.10701	1.0
199.06097	0.5
203.05688	0.1
209.11819	100.0
210.12155	5.1
217.07187	0.7
219.04982	0.2
221.06653	1.4
225.11299	0.1
227.12892	11.9
228.13226	0.6
233.22781	0.2
235.08241	5.1
236.08528	0.2
245.06731	0.4
251.12901	0.3
253.09286	1.0
259.08289	0.5
259.20532	0.1
263.07706	0.5
275.20215	0.3
277.21777	50.8
278.22134	4.3
287.07791	1.6
291.23346	0.3
301.09464	0.2
305.08908	1.9
319.23001	0.2
323.09860	1.1
361.11508	0.2
379.12570	7.2
380.12943	0.6
397.13596	38.0
398.13913	2.5
398.18677	0.2
415.14664	8.4
416.15027	0.7
452.28171	0.1
483.95551	0.1
589.25140	0.6
607.26410	1.0
657.35388	0.2
675.36267	0.7
676.36224	0.2
885.47699	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	885.4306
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98721	8.2
66.76752	0.5
69.03313	0.6
69.42030	4.7
71.01268	5.0
73.02839	1.6
81.03341	0.6
85.02861	1.9
87.00779	1.9
89.02349	2.7
97.02848	1.7
97.53269	0.5
98.19755	0.6
101.02350	4.6
109.06521	2.6
110.06833	0.5
113.02344	1.4
117.03376	1.0
119.03444	1.1
121.80300	0.5
123.04437	2.0
125.02431	1.2
128.90056	0.6
131.03433	0.5
131.36331	0.5
132.02084	2.7
133.02882	45.2
134.03241	2.3
135.04454	13.8
135.05450	1.0
135.08020	0.6
143.03448	0.7
153.05548	0.9
161.02394	100.0
162.02715	4.1
163.11214	1.1
171.10237	0.9
179.05603	0.9
181.12321	0.6
207.10211	6.0
208.10541	2.6
221.78175	0.5
225.11365	3.5
226.11725	1.9
235.08209	0.8
253.09270	0.7
261.07813	0.6
269.21283	0.8
277.21805	5.1
278.22214	3.4
279.23315	3.0
293.24921	0.8
313.84766	0.5
315.10883	1.8
327.21768	1.4
328.22089	1.2
329.22369	0.7
397.13422	1.8
398.13898	1.1
399.14261	1.0
436.02582	0.5
471.01410	0.6
723.39313	2.6
852.45587	0.6
884.47388	1.6
885.43036	45.7
886.43384	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	883.4716
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98714	4.6
69.03339	2.3
71.01272	26.2
72.99187	2.7
73.02849	3.9
75.00764	0.9
80.02561	1.4
81.03340	3.6
83.01266	3.4
83.04919	3.0
85.02847	7.8
87.00780	6.7
89.02338	20.4
93.03385	0.9
95.01283	2.9
96.34196	0.7
96.95921	3.6
97.02853	12.4
97.06506	0.8
98.19772	1.7
99.00780	3.3
101.02349	19.8
107.04951	0.9
109.02866	1.0
109.06500	27.0
110.03694	1.2
111.00803	0.8
111.04417	1.8
113.02362	10.4
119.03415	5.7
121.06503	1.7
123.04410	1.1
125.02376	6.4
133.06485	0.7
135.08093	3.5
136.05186	2.9
139.03951	1.2
141.01913	1.3
142.02640	3.2
143.03456	3.8
145.04988	0.9
149.04576	1.0
161.04539	4.7
161.09669	1.7
163.11237	17.1
163.12527	1.5
163.32744	0.7
171.10191	2.3
179.05623	4.4
179.10730	1.5
181.12320	3.9
181.21451	0.8
183.13902	2.0
189.09225	2.4
207.10254	100.0
208.10568	4.6
209.11754	1.3
211.13348	1.8
216.00598	0.8
221.06664	2.0
225.11325	38.1
226.11626	1.8
233.22630	0.8
235.08255	12.4
243.12430	2.0
253.09348	8.6
259.20648	0.8
263.07669	1.4
277.21780	92.4
278.22150	7.1
287.07779	2.1
305.08911	2.3
309.20776	3.1
323.10001	1.0
327.21841	16.8
328.22101	1.6
379.12646	7.6
397.13580	55.6
398.13995	3.1
415.14703	14.2
416.14969	1.0
443.19034	1.0
461.20108	0.9
529.06818	0.7
545.29718	2.0
570.56158	0.7
587.23712	1.2
601.71259	0.8
605.24615	6.1
623.25708	4.3
675.36243	2.5
865.45721	2.4
883.47180	67.6
884.47589	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	881.3836
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98711	0.7
63.02280	1.7
65.00204	5.1
68.99712	0.5
69.84050	1.9
71.01272	1.2
71.01620	0.3
81.03348	2.5
83.01275	7.5
85.02843	0.6
89.17590	0.3
93.03361	3.7
95.01281	0.8
96.95923	0.7
97.02864	0.7
107.01295	7.6
107.04940	0.7
108.02085	0.4
109.02840	1.6
111.00790	0.7
116.92803	1.8
117.03394	1.8
119.04971	0.5
121.02885	1.0
123.00805	0.5
123.04437	1.3
123.96342	0.3
124.00806	0.3
124.01587	2.2
125.02368	63.5
126.02721	1.2
130.04189	0.4
131.04980	1.1
132.02043	0.3
133.02893	3.3
135.00793	0.5
135.04431	1.5
137.02353	1.5
139.03923	0.4
145.02875	0.7
145.06546	0.7
147.04436	0.5
149.02379	3.1
149.05962	0.4
150.03163	0.6
151.00311	23.7
152.01105	7.0
153.01884	10.9
155.04987	0.4
156.05753	0.5
157.06569	1.3
158.03659	0.9
159.04469	1.4
161.02394	3.3
162.02884	0.3
163.00302	4.2
165.01868	1.3
165.24416	0.3
166.02751	0.4
169.01401	1.1
169.06551	1.1
171.04437	0.7
172.05220	2.5
173.06026	7.9
175.04010	1.6
175.99571	0.3
176.01120	6.4
177.01834	0.6
177.05490	2.6
178.99826	8.6
179.03426	1.8
180.05777	0.4
181.06517	1.1
187.07761	0.7
196.05226	0.7
197.06064	2.1
199.04019	1.7
199.07622	1.9
200.04755	1.1
201.05589	5.5
203.03519	0.7
213.05530	1.7
214.06328	0.5
215.07138	7.1
216.07480	0.7
216.71791	0.3
219.06500	0.4
225.05545	3.4
240.04274	0.4
241.05113	5.3
243.06635	8.1
244.07001	0.5
253.05095	0.3
259.06161	86.1
260.06509	6.8
268.03629	0.4
269.04605	100.0
270.04968	7.0
283.06250	0.9
287.05676	53.9
287.22314	0.6
288.06033	3.9
311.05688	1.0
313.19254	0.3
449.27615	1.4
629.36841	0.3
719.25562	0.5
774.33191	0.6
863.37189	3.9
864.37982	1.0
881.38354	55.5
882.38623	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	885.2482
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01266	1.0
71.04606	1.7
75.70493	0.6
81.03337	2.1
83.01270	6.1
89.32538	0.6
89.69233	0.7
93.03355	1.8
95.01297	1.0
95.04932	2.2
97.02853	2.8
101.02343	0.7
107.04942	1.6
108.02103	1.5
109.02863	22.6
117.03403	1.3
119.04939	1.0
121.02879	3.9
123.04444	18.6
124.01604	1.5
125.02377	44.1
126.02708	1.5
127.25610	0.6
131.04944	1.2
133.02884	3.6
135.04411	3.2
135.84842	0.6
137.02390	15.9
138.03091	0.7
139.03902	2.3
142.01479	0.8
143.04968	0.9
145.02904	2.8
146.03719	1.3
147.04413	1.4
149.02396	7.8
150.03156	2.0
151.02831	1.4
151.03966	16.0
152.04294	0.8
155.04974	1.0
157.02872	0.8
157.06537	1.4
159.04468	9.9
160.01622	4.3
160.05217	0.7
161.02393	24.1
161.06038	5.9
162.03078	2.6
163.00262	1.9
163.03966	6.2
164.01077	3.7
165.01907	5.2
167.64087	0.7
169.06613	0.8
171.04506	1.3
173.06056	3.0
174.03174	0.8
175.03972	14.8
175.07535	1.2
177.01881	6.5
177.05525	3.1
178.02548	0.7
179.03474	3.5
182.03777	0.6
183.04463	5.8
185.02420	8.6
185.06119	3.5
186.03052	1.0
187.03998	11.7
188.04697	2.5
189.01945	1.6
189.05533	1.6
193.05022	1.7
196.05254	0.8
197.06044	3.2
198.03264	1.0
199.03946	4.4
200.04768	1.2
201.01872	1.1
201.05579	9.3
202.06271	2.2
203.03493	4.3
203.07146	6.4
205.01407	1.0
205.04997	6.5
207.04443	0.9
208.05141	0.7
209.06117	1.3
211.03984	3.4
211.07616	0.7
212.04695	1.2
213.05553	4.1
214.02725	1.2
215.03481	2.7
217.05063	3.7
221.08189	1.5
224.04747	1.3
225.05580	21.2
226.06001	1.6
227.03580	5.9
227.07074	1.8
228.04216	2.1
229.05081	6.3
230.05725	0.9
231.02966	2.8
231.06570	1.9
237.05586	1.5
239.07152	0.8
240.04126	0.7
241.05064	5.1
243.03053	5.3
243.06624	1.8
245.04593	24.4
245.08212	7.3
246.04910	2.4
247.06235	1.2
251.03438	1.2
253.05183	4.1
254.05717	0.8
255.03038	13.0
255.06088	1.1
255.06735	1.5
256.03754	6.9
257.04474	5.5
265.05164	1.1
267.03052	0.8
269.04620	100.0
270.05002	7.3
271.06113	4.6
273.04059	6.7
281.04611	12.6
282.04965	1.1
283.02527	3.3
283.06113	1.4
285.04202	5.1
286.04938	2.2
287.05649	4.4
288.02936	1.4
288.06076	1.1
289.07257	34.0
290.07559	2.7
293.04651	0.9
297.04193	2.6
297.07788	1.4
298.04810	1.4
299.05722	1.2
303.06638	0.8
309.04144	1.0
309.07700	1.0
311.05820	1.1
315.09033	0.8
321.07877	0.7
331.08374	1.2
339.08929	5.9
363.08981	1.7
381.10062	2.7
389.06827	1.3
407.07816	63.2
408.08157	7.7
414.82562	0.8
419.07785	2.2
425.08890	30.5
426.09351	3.2
433.09354	10.6
433.14713	1.0
434.09512	1.2
449.08929	1.4
451.10361	4.0
469.13434	2.1
515.13690	1.5
541.11084	4.0
559.12549	10.5
560.12982	0.8
595.16864	35.6
596.16833	4.8
597.18402	1.0
607.17017	2.7
639.19208	4.3
733.19885	5.8
734.20117	0.9
759.21606	3.6
760.22998	0.7
885.24921	14.1
886.25006	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	875.3578
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01272	0.4
73.02837	0.4
83.01318	0.1
85.02830	0.1
89.02335	0.2
93.03347	0.1
96.95919	0.1
98.20643	0.2
101.02340	0.6
108.02088	0.3
113.02362	0.3
119.03448	0.1
121.06462	0.1
122.03660	0.4
123.04415	0.1
129.03412	0.1
130.04164	0.2
131.03438	0.1
131.04980	0.2
134.03641	0.1
135.04407	0.1
137.02353	0.1
147.04443	0.8
148.05246	1.4
149.06018	100.0
150.06363	4.0
154.02690	0.1
161.02391	0.3
161.04492	0.3
191.07002	0.1
222.40076	0.1
272.05591	0.1
287.83661	0.1
311.11462	0.2
311.14929	0.1
331.17673	0.2
353.12479	12.7
354.12762	1.0
373.18631	0.3
440.89890	0.1
477.23502	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	875.3576
Annotation	Unknow
Peak:m/z	Relative Intensity
61.89218	0.9
71.01270	30.7
71.58253	1.4
72.99211	2.2
73.02835	22.4
75.42239	1.0
81.03370	1.0
83.01278	7.9
85.02848	5.0
89.02326	12.5
95.01318	1.5
98.31325	1.1
101.02345	29.8
113.02359	16.3
119.03417	8.3
125.02380	2.1
131.03458	2.1
133.02791	2.0
135.04474	2.4
140.28729	1.0
143.03426	5.2
147.04454	1.6
148.05194	1.3
149.04601	5.4
149.06018	100.0
149.61906	1.0
150.03256	1.5
150.06357	6.0
161.02377	4.3
161.04489	11.9
179.05634	1.3
203.05603	1.4
221.06639	1.6
227.03423	1.2
241.26764	1.0
255.03116	1.3
307.10367	2.5
313.16486	5.3
331.17700	9.2
342.06100	1.0
342.92154	1.1
364.17990	1.1
373.18774	41.1
374.19122	4.0
417.07965	1.5
457.17166	17.4
458.17493	2.3
681.08459	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	876.4982
Annotation	Pseudostellarin E
Peak:m/z	Relative Intensity
63.13877	0.9
64.06516	1.0
65.99721	0.9
69.92429	5.3
71.01273	15.9
72.99203	2.4
73.02831	2.2
73.36169	0.9
75.34579	1.1
76.35442	1.0
77.84059	1.1
80.23436	0.9
81.03374	1.3
83.01263	1.8
85.02844	5.4
86.61774	1.0
87.00764	3.6
89.02338	13.2
97.02845	3.0
101.02346	11.7
106.06536	2.0
113.02353	5.3
119.03419	2.9
119.19286	1.0
125.02441	2.1
127.04001	0.9
139.03809	1.3
151.11218	1.1
160.11243	2.7
161.04503	2.4
171.10210	3.6
178.12292	1.8
179.05547	3.0
184.15469	1.0
194.11826	14.1
204.10292	2.9
211.07603	1.2
221.06589	1.9
222.11374	16.1
235.08290	1.5
240.12447	16.2
241.12575	1.4
254.09348	1.1
255.23328	47.7
256.23657	3.7
368.14270	1.2
391.60153	1.1
397.13687	18.9
398.13733	1.4
415.14664	3.7
602.53961	1.3
620.25568	2.8
638.26709	2.4
696.44720	1.5
858.48767	3.1
876.49817	100.0
877.50079	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	881.3106
Annotation	Unknow
Peak:m/z	Relative Intensity
62.41638	0.6
69.23293	4.7
69.23703	1.1
71.01273	11.3
72.99202	1.3
73.02844	4.2
75.00768	0.6
77.68889	0.4
83.01290	1.2
85.02840	3.5
87.00768	5.2
89.02336	5.1
89.03870	0.8
97.02810	0.7
99.00753	0.8
101.02349	8.4
103.03909	0.9
105.03333	0.6
113.02365	4.8
115.03913	0.7
115.97921	0.5
117.03410	0.8
119.03412	2.6
125.02368	2.0
128.85413	0.5
131.03445	3.4
132.02116	3.3
133.02887	51.0
134.03259	1.8
135.04457	14.2
136.04823	0.6
137.77943	0.5
143.03413	1.1
146.03664	1.0
159.02995	0.6
159.04491	1.7
161.02397	100.0
161.04550	5.0
162.02742	4.9
172.05226	0.6
173.06036	1.3
175.03992	0.8
179.03447	6.0
179.05629	0.9
187.07594	5.8
201.05574	1.5
202.06340	8.5
203.03528	0.5
203.06970	0.5
219.10327	0.8
220.07475	0.9
221.06702	4.3
231.10297	5.9
232.52525	0.5
249.11362	2.9
299.44507	0.6
393.15744	0.5
411.16586	0.6
422.86240	0.5
519.97650	0.5
555.21332	0.6
573.21973	2.2
701.27246	0.9
719.27753	15.3
720.28271	1.8
881.31091	65.0
882.31372	14.8
897.98181	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	881.3101
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03336	0.5
71.01269	12.2
71.57347	0.8
72.99187	0.8
73.02841	5.4
75.00802	0.5
76.01080	0.3
83.01276	1.0
85.02848	4.4
85.99992	0.6
87.00768	4.2
89.02338	6.1
93.17664	0.4
95.01286	0.7
97.02876	0.8
99.00777	0.9
101.02344	9.2
103.03915	0.7
105.03405	1.2
113.02343	4.3
115.01812	0.7
117.03378	0.9
119.03419	3.0
123.04447	1.2
125.02387	2.0
131.03427	3.3
132.02097	3.2
133.02881	53.1
134.03284	1.9
135.04456	10.4
143.03429	0.8
146.03653	0.6
147.04526	0.7
150.68011	0.4
159.02927	0.6
159.04437	1.0
161.02386	100.0
161.04555	4.3
161.35632	0.5
162.02705	4.4
172.05318	0.7
173.06049	1.7
175.03979	0.9
175.07561	0.5
179.03456	5.1
179.05600	1.0
180.03606	0.4
187.07576	5.5
189.05621	0.5
190.06396	0.5
201.05519	1.8
201.09409	0.5
202.06329	8.4
203.10876	0.5
209.11789	0.9
216.07909	0.6
219.10312	0.6
220.07385	1.4
221.06570	4.1
231.10297	7.3
232.10533	0.5
249.11417	3.1
316.37390	0.4
331.17548	2.7
373.18588	2.4
411.16745	0.8
557.22626	0.6
573.21808	2.6
662.96741	0.6
701.25806	0.7
719.27777	13.1
720.27960	1.8
745.25232	1.6
775.73859	0.6
817.77991	0.5
881.30994	55.6
882.31232	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	879.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98700	0.9
63.02272	0.4
63.25555	0.2
65.00219	0.6
68.54900	0.2
71.01253	0.7
71.59965	0.3
72.39008	0.2
83.01260	0.4
87.00758	0.3
89.02332	0.4
95.87093	0.2
96.95921	1.4
101.02354	0.6
107.01289	0.9
109.02837	1.0
115.05443	0.2
116.92765	0.5
119.03376	0.2
119.04940	0.3
121.02892	0.3
121.71057	0.2
123.04389	0.4
125.02344	0.3
133.02896	2.6
134.03441	0.2
135.00783	0.4
135.04457	1.8
143.04948	0.9
145.02908	0.7
147.00761	0.3
147.04427	0.4
149.02368	0.4
149.05917	0.3
150.03207	0.3
151.00343	1.1
155.04919	0.5
157.02916	0.7
161.02365	2.5
171.04463	2.3
173.02307	0.3
175.03957	1.5
179.03384	0.7
183.04486	0.5
187.03970	0.9
197.02406	0.6
198.03174	0.8
199.03973	5.8
200.04410	0.4
201.01944	1.8
203.03484	0.7
214.02684	0.4
215.03513	3.0
226.02681	0.9
227.03520	3.1
241.01411	0.4
242.02191	0.9
243.03008	3.8
244.03412	0.4
255.03069	1.9
271.02530	43.5
272.02866	2.9
287.22250	0.3
299.02026	100.0
300.02499	10.1
301.03275	0.5
315.10846	0.3
449.27704	0.4
579.13672	2.4
580.14459	0.3
879.42578	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	876.4983
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99204	0.7
61.98718	1.6
66.03370	0.9
68.01315	0.7
68.99715	0.8
69.03334	2.7
70.72819	1.7
71.01272	60.3
72.99203	2.8
73.02830	5.5
81.02097	3.0
81.03341	1.2
82.02867	3.7
83.01280	5.1
85.02836	7.0
87.00763	10.0
88.98714	3.4
89.02338	29.9
93.03355	0.8
94.02908	4.1
95.01303	2.7
95.04935	0.7
96.04449	14.0
96.95913	0.7
97.02866	5.3
99.00768	2.0
101.01696	1.5
101.02354	28.2
106.06537	0.8
107.03683	3.5
108.04459	2.3
110.05984	0.8
111.00791	0.9
113.02356	12.5
119.03417	11.5
122.09686	1.2
124.01635	0.8
125.02366	8.7
127.07565	1.1
131.03401	2.0
137.02382	0.7
139.04059	0.9
143.03442	5.2
145.02939	1.5
149.04535	1.1
157.20361	0.7
160.11279	2.6
161.04500	5.1
161.09659	0.9
168.10255	24.2
176.10780	0.9
178.12341	16.1
179.05585	8.8
185.04546	1.2
186.09201	1.3
192.20847	0.7
196.13426	7.5
204.10307	9.9
207.22055	0.7
211.07597	2.9
221.06639	3.4
222.11365	95.2
223.11699	6.0
235.08261	7.2
240.12415	13.3
241.12827	0.8
247.17345	0.7
253.09355	1.3
255.23346	100.0
256.23651	7.6
263.07870	1.7
285.57642	0.7
287.07913	1.0
305.08765	2.2
323.09903	2.0
351.09729	0.7
361.11322	0.8
379.12543	3.9
397.13596	78.8
398.13928	5.3
415.14676	17.3
415.19937	1.5
416.14896	1.2
526.75378	0.8
602.24701	5.6
620.25635	7.9
638.26740	4.1
653.38232	3.9
696.43317	1.3
858.48419	4.8
859.49756	2.2
876.49847	85.1
877.50000	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	871.3838
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03343	1.0
69.76263	2.9
71.01270	26.9
72.99195	1.3
73.02840	12.7
78.66708	0.4
83.01265	4.0
85.02843	7.0
87.00769	1.9
87.04406	1.6
89.02338	21.0
95.01288	1.4
97.02831	0.6
98.95412	0.5
99.00776	1.6
101.02344	23.2
101.06027	0.8
102.02673	0.6
113.01624	0.9
113.02356	12.0
114.02714	0.7
119.03410	10.2
125.02367	1.2
131.03409	1.3
133.02907	0.8
135.04399	0.8
143.03441	2.8
149.04518	2.7
161.02423	2.9
161.04507	6.5
179.05537	2.4
185.11768	0.8
187.13356	10.0
203.05698	0.5
221.06602	1.4
229.14555	0.6
253.14549	0.5
331.13605	0.7
331.17706	26.4
332.18045	2.2
349.18738	32.2
350.19144	3.0
391.19812	100.0
392.20203	8.9
426.57980	0.5
448.42236	0.5
771.08704	0.5
827.26135	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	869.3256
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98723	1.0
66.03676	0.2
67.01746	0.9
68.61565	0.2
69.32114	1.3
69.32516	0.5
71.01270	0.3
72.44028	0.1
76.29956	0.2
88.98714	0.2
93.03388	0.2
96.95245	0.2
96.95914	0.4
107.04919	0.2
109.02887	1.4
121.02877	0.4
123.00840	0.5
123.04445	0.3
125.02406	0.2
133.02838	0.9
135.04413	0.7
136.01605	1.0
137.02377	18.1
138.02783	0.4
139.03925	0.2
145.02930	0.2
147.04462	0.2
148.01585	0.3
149.02368	0.7
150.03177	0.7
151.00304	3.4
151.03957	1.5
151.05002	0.2
152.01059	0.4
152.04779	0.3
153.05466	0.3
161.02379	2.2
162.03009	0.2
163.03963	0.7
164.01082	1.4
164.04735	0.5
165.01886	100.0
166.02646	10.4
166.47783	0.2
167.03351	0.9
175.03951	0.6
176.04741	0.3
177.01877	0.5
177.05553	0.5
178.02565	0.3
179.03465	15.9
179.06993	0.5
180.04243	55.8
181.05014	19.0
182.05367	0.9
187.04057	0.5
191.03503	0.4
192.04320	0.4
193.05008	0.4
194.05840	3.5
195.02930	2.7
195.06604	70.6
196.06953	3.2
203.03500	0.2
205.05084	1.2
207.06631	0.6
208.53461	0.2
209.08154	3.5
210.05318	11.8
211.06001	1.1
219.06648	0.5
220.07402	0.7
221.08145	0.2
225.07687	70.4
226.05968	0.3
226.08046	4.2
313.58032	0.2
359.11398	0.4
372.12253	0.2
373.12979	0.3
386.13919	0.2
387.10284	1.2
387.15216	1.4
388.11276	0.3
402.13412	0.9
403.14084	2.6
416.14801	0.4
417.15637	9.9
418.16165	1.2
433.15216	0.3
451.16211	0.8
476.99673	0.2
565.19104	0.4
594.21051	0.3
595.21979	9.4
596.22260	1.2
625.23083	0.5
643.24066	3.1
644.24225	0.5
659.23511	0.3
697.25000	0.3
773.28326	0.5
821.30322	0.8
822.30457	0.4
869.31732	0.9
870.31836	0.3
884.85553	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	869.3262
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98735	0.8
65.00224	0.3
67.01797	0.8
68.10385	0.2
71.01276	0.5
81.03349	0.3
83.19746	0.2
88.90493	0.2
89.02369	0.4
93.03387	0.3
96.95898	0.5
107.04959	0.3
109.02858	1.7
112.87114	0.2
119.01332	0.3
121.02861	0.6
123.00819	1.2
123.04439	0.4
125.02386	0.4
133.02888	0.8
135.00813	0.2
135.04443	1.2
136.01602	1.3
137.02376	21.1
138.02814	0.5
138.61577	0.2
139.00291	0.3
139.03905	0.5
143.13335	0.2
145.02838	0.3
147.00832	0.8
148.01572	0.4
149.02386	1.0
149.06029	0.4
149.58302	0.2
150.03197	1.0
151.00310	4.2
151.03926	2.8
152.01042	0.5
152.04727	0.5
153.01872	0.5
153.05533	0.6
161.02380	2.7
162.03078	0.7
163.00311	0.3
163.03990	0.9
164.01122	2.3
164.04683	1.2
165.01889	100.0
165.05524	1.8
166.02658	12.1
166.06291	0.3
167.03384	1.6
175.03993	0.5
176.04721	0.7
177.01912	1.0
177.05554	0.8
178.02675	0.4
179.03467	20.3
180.04247	57.1
181.05028	33.9
181.06725	0.4
182.05399	1.7
184.03749	0.4
187.03986	0.3
189.05553	0.3
190.06433	0.3
191.03526	0.4
191.07161	0.2
192.04230	0.9
193.05009	0.9
194.05821	4.3
195.02983	2.6
195.06610	62.1
196.03589	0.2
196.06961	2.9
203.03525	0.4
205.05104	1.8
207.06618	1.8
208.01837	0.2
209.08211	6.3
210.05325	11.0
211.06058	1.2
219.06802	0.5
220.07407	1.2
225.07697	45.1
226.08063	2.2
229.29649	0.3
325.07159	0.2
341.10294	0.3
345.09579	0.3
359.11539	0.7
387.10791	0.7
387.15100	1.2
401.12729	0.2
402.13245	0.8
403.14066	1.6
407.66058	0.2
416.14975	1.2
417.15643	8.4
417.21252	0.5
418.15903	0.9
451.16431	0.3
489.17688	0.3
542.07947	0.2
565.17651	0.8
579.19153	0.3
580.19922	0.4
581.20398	0.4
594.20984	2.6
595.21967	16.5
596.22382	2.7
613.22833	0.3
625.23212	0.8
642.23334	0.3
643.24164	4.3
644.24304	1.0
649.23297	0.5
697.25531	0.4
712.29791	0.2
773.28284	5.0
774.28699	1.1
803.29431	0.5
821.30585	1.4
822.30383	0.3
851.31653	0.3
869.32227	1.6
870.34137	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	869.2531
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03819	0.7
67.01802	0.7
69.03338	1.0
69.50401	4.4
71.01266	2.5
72.99194	0.8
73.02818	1.7
74.74252	0.7
80.02576	0.6
81.03358	3.2
83.01267	7.1
85.02840	1.2
86.00020	0.6
87.00768	1.3
89.02306	1.1
93.03365	8.4
94.03675	0.7
95.01302	1.4
95.04932	3.8
96.95879	0.6
97.02847	8.3
99.04428	0.6
101.02332	1.7
105.03404	0.5
107.04916	1.6
108.02059	1.7
109.02866	29.8
110.03204	1.1
111.00845	0.7
117.03348	1.2
119.04939	1.9
120.02096	1.5
121.02880	5.0
122.03661	1.1
123.00835	0.8
123.04440	22.1
124.01638	0.9
124.04737	1.3
125.02368	40.0
126.02711	1.7
133.02895	3.9
135.04460	3.5
137.02380	32.2
138.02631	0.8
138.10576	0.7
139.03981	4.0
143.03435	1.3
143.04944	2.1
145.02878	2.7
145.06476	0.8
146.03696	1.6
147.04469	1.5
149.02385	9.8
150.03149	1.8
151.03958	12.9
152.04265	0.6
157.06512	1.5
159.04462	4.7
160.05217	1.0
161.02402	10.4
161.06035	6.6
162.03098	1.9
163.00272	3.4
163.03966	5.0
164.01102	33.3
165.01886	9.4
166.02682	1.0
167.03427	1.4
167.04826	0.8
169.06532	0.7
171.04428	1.4
173.06036	2.1
174.03206	1.2
175.03986	8.4
175.07616	1.8
176.01086	0.9
177.01886	6.5
177.05453	1.2
179.03432	5.5
180.05858	0.8
181.06549	2.0
183.04530	1.7
184.05139	0.8
185.06058	5.6
187.03983	8.4
187.07620	0.7
188.04796	4.5
189.01932	1.3
189.05518	2.7
197.06059	0.8
199.03987	1.5
199.07646	1.7
201.01897	0.8
201.05551	2.4
202.06303	1.9
203.03586	1.1
203.07120	15.8
205.01451	3.4
205.05089	9.7
205.06949	1.2
208.05307	0.7
209.06082	4.5
211.04028	1.4
211.07571	0.7
212.04774	2.1
213.05537	1.6
214.02687	0.6
215.03503	1.5
217.05013	1.7
221.08191	2.5
225.05547	3.0
225.09193	0.8
225.80362	0.6
227.03543	1.4
227.07095	4.4
228.04283	3.3
229.05014	7.2
230.05811	1.1
231.03000	1.6
231.06638	0.9
232.83366	0.6
237.05641	0.8
238.81172	0.8
239.07283	1.1
241.05057	1.8
242.05884	1.2
243.03041	2.0
243.06639	1.2
245.08226	16.1
246.08588	1.3
247.06157	1.8
253.05095	62.9
254.05493	3.8
255.03044	5.7
255.06676	6.6
256.03781	2.4
256.07407	0.7
257.04565	2.5
265.05115	2.7
266.05673	0.9
267.03101	1.6
267.06635	2.7
269.04602	2.4
269.08118	1.3
270.05386	2.4
271.06177	22.4
272.06506	1.7
273.07748	7.4
274.07831	0.9
279.02914	0.9
281.04636	2.9
283.02637	1.6
283.06326	0.7
285.04172	3.0
289.07248	100.0
290.07553	7.8
293.05063	0.7
293.08206	2.3
294.05466	0.8
295.02658	1.3
295.06140	2.2
295.09259	0.7
297.04153	1.0
305.08255	1.0
313.07196	1.3
328.05856	0.9
339.08701	1.9
361.07233	0.8
375.08981	0.9
381.09860	2.4
391.08182	1.9
392.08893	0.8
395.19720	0.7
407.07809	18.7
408.08105	2.4
417.09943	5.3
419.07721	4.5
425.09183	4.3
431.07657	1.6
435.10956	10.3
436.11395	1.5
437.12717	1.1
499.14078	2.4
525.04285	1.2
525.11993	18.0
526.12268	2.4
543.13123	8.1
544.13690	1.0
579.17303	62.3
580.17554	9.4
581.19012	0.7
582.69910	0.8
591.17383	2.6
602.18414	0.7
639.20428	0.8
717.20349	1.3
718.21045	0.8
743.21936	11.9
744.22607	1.8
869.25244	9.4
870.25671	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	853.3309
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98730	4.8
63.41574	1.0
67.01775	1.7
71.01271	2.7
71.58141	1.5
85.02877	1.2
88.98730	1.1
89.45534	0.9
93.03359	1.5
96.95916	5.1
101.02385	1.1
102.01556	1.0
109.02864	5.3
111.41442	0.9
114.59239	0.9
117.03344	1.9
121.02873	1.2
122.03671	2.1
123.04438	1.1
133.02855	2.6
135.04442	2.1
136.01593	3.5
137.02365	29.5
139.03888	0.9
145.02846	3.6
149.02411	6.4
150.03177	15.9
151.00311	8.1
151.03958	9.8
152.01097	1.5
152.04642	2.7
160.41895	1.1
161.02399	7.1
164.01099	1.9
164.04753	3.5
165.01884	100.0
165.05542	14.1
166.02655	23.3
166.05930	1.0
167.03381	2.9
175.04031	1.7
177.01961	3.2
177.05531	2.0
178.02661	1.2
179.03468	24.4
179.07040	5.6
180.04256	50.6
181.05011	30.5
187.03966	1.5
191.03416	1.5
192.04198	1.5
193.05008	2.4
194.05809	4.0
195.01653	2.1
195.06609	73.0
196.06946	3.3
205.05078	5.4
207.06599	2.2
209.08185	6.1
210.05576	7.0
219.06625	0.9
220.07411	3.6
221.08154	1.7
225.07690	50.5
226.08029	3.0
240.05118	1.5
249.09023	1.1
371.11673	1.2
387.10562	3.0
387.15170	7.0
388.11246	1.4
402.13367	3.2
403.14011	3.2
416.15067	3.0
417.15616	33.6
418.15854	2.5
460.81372	1.0
474.63254	1.0
565.18359	2.0
595.22009	40.2
596.22546	7.2
597.24060	2.3
608.24506	1.3
625.23169	3.0
626.23651	4.5
627.24579	13.6
628.24829	2.2
643.24182	4.2
644.23981	1.2
743.27124	2.9
805.31519	6.7
806.31604	1.7
853.33856	2.9
854.29791	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	855.3316
Annotation	Unknow
Peak:m/z	Relative Intensity
69.46350	0.2
69.46780	0.2
71.01274	0.9
73.02842	0.9
78.32734	0.0
80.51312	0.0
83.01244	0.3
84.38965	0.0
85.02830	0.1
87.95634	0.1
89.02345	0.2
93.03347	0.1
95.01341	0.1
98.20568	0.1
101.02335	0.9
106.04157	0.1
108.02064	0.3
113.02359	0.3
116.92847	0.1
119.03428	0.1
119.04957	0.1
122.03658	0.5
125.02383	0.1
129.03333	0.1
130.04114	0.1
131.03462	0.1
131.04953	0.2
133.02847	0.1
137.02315	0.1
139.03900	0.1
143.03426	0.1
147.04469	0.8
148.05254	1.4
149.06020	100.0
150.06355	4.1
150.07599	0.1
154.02681	0.1
158.70683	0.1
161.02406	0.2
161.04501	0.4
191.07097	0.1
203.05641	0.1
251.82262	0.0
287.62680	0.1
311.11493	0.2
353.12482	12.7
354.12827	1.2
407.66705	0.0
423.44943	0.1
519.76093	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	848.2483
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	5.7
60.33652	0.2
61.98716	5.9
64.33522	0.3
69.03350	0.3
70.38103	1.0
71.01266	7.2
72.99197	0.9
73.02837	2.5
74.86224	0.3
77.03855	0.4
78.77544	0.3
83.01271	0.4
84.94947	0.3
85.02843	2.5
85.99978	0.3
87.00766	1.9
87.04419	0.4
89.02338	4.9
89.02849	0.5
93.46734	0.2
95.01287	0.5
97.02850	0.5
99.00778	0.6
101.02345	6.2
103.03913	0.4
105.03363	0.6
107.04935	0.3
109.02901	0.4
113.02357	2.8
115.03930	0.4
117.03364	0.8
119.03406	1.7
121.02917	0.3
123.04449	2.4
125.02377	1.1
131.03421	2.0
132.02107	2.1
133.02879	37.0
134.03151	1.5
135.04449	15.1
136.04784	0.8
137.02400	0.8
139.03902	0.4
141.01994	0.3
143.03426	1.1
147.04552	0.3
150.03156	0.3
153.05461	1.7
159.02963	0.3
161.02390	100.0
162.02722	4.3
163.06084	0.5
164.07141	0.6
179.03450	5.9
179.05281	0.5
179.05556	0.7
180.03868	0.3
190.33734	0.3
205.07268	0.4
206.08218	0.6
221.06671	2.7
231.54167	0.3
299.19736	0.3
308.15298	0.3
315.10828	1.4
349.19550	0.3
459.15009	0.4
461.16757	1.3
471.31750	0.3
477.16217	2.7
623.22095	5.5
623.31464	0.5
624.22156	0.8
785.25256	62.5
786.25562	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	863.5033
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98720	0.7
67.22904	0.2
69.03342	0.9
70.79242	0.2
70.79572	0.4
71.01271	16.0
71.04919	0.1
72.99201	1.4
73.02839	2.5
75.00758	0.4
80.02565	1.1
81.03342	2.1
83.01281	1.8
83.04916	4.6
84.02045	0.8
85.02351	0.2
85.02850	3.5
85.99979	0.2
87.00234	0.2
87.00771	4.2
87.93527	0.1
89.02341	12.1
91.03941	0.3
93.03326	0.3
95.01283	1.0
95.04936	0.8
97.02861	2.6
97.06479	0.3
99.00784	0.7
101.02347	12.9
102.02691	0.3
109.02865	0.3
109.06465	0.2
111.00783	0.4
111.04408	0.4
113.02360	6.9
115.03946	0.4
119.03418	3.1
121.02884	0.4
123.00845	0.3
123.04448	0.3
124.01605	0.2
125.02367	6.0
125.05997	0.6
127.03931	0.4
131.03423	0.4
132.18419	0.1
133.04982	0.6
135.08090	0.5
137.02390	0.2
139.03932	0.6
141.01642	2.0
143.03432	2.3
145.05013	0.2
147.11765	0.2
149.04488	0.5
161.04510	3.1
163.11238	3.8
164.11534	0.2
165.12804	2.1
167.03429	0.3
169.05016	0.2
179.05577	3.4
181.05089	0.2
181.12331	0.5
185.04581	0.2
191.10753	0.9
199.06030	0.4
200.72186	0.1
203.05600	0.3
209.11823	100.0
210.12167	5.6
212.08629	0.2
214.44829	0.2
217.07184	0.8
221.06674	1.6
227.12900	12.2
228.13271	0.9
235.08258	5.5
236.08591	0.1
245.06694	0.4
251.12950	0.2
251.91714	0.2
253.09369	0.9
255.23341	56.2
256.23691	4.7
259.08362	0.5
263.07846	0.3
269.06860	0.3
269.24960	0.7
277.09528	0.2
287.07758	2.0
297.24429	0.4
301.09439	0.3
305.08881	2.1
323.10028	1.3
361.11685	0.3
379.12527	8.9
380.12744	0.7
380.65350	0.1
397.13596	41.9
398.13892	2.8
415.14679	8.0
416.15088	0.6
449.61322	0.2
468.59229	0.2
589.24976	0.9
607.26056	0.9
608.26471	0.2
635.36584	0.7
653.37793	1.8
654.38232	0.3
850.49664	0.2
850.98206	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	846.2481
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01271	9.8
60.36358	0.8
61.98709	4.1
64.01795	2.7
64.15924	0.9
65.99736	5.4
71.01274	11.0
71.57893	0.9
73.02817	6.1
77.03813	1.8
81.03348	1.1
83.01292	2.2
85.02843	6.5
85.99977	1.5
87.00775	7.1
87.04421	2.0
89.02346	2.8
93.03335	3.5
95.01285	4.1
95.04924	2.3
96.95911	3.5
97.02863	2.3
97.11096	1.0
99.00796	1.9
101.02340	4.1
105.03384	8.9
106.02866	2.0
108.00899	1.0
109.02864	2.7
113.02367	6.1
117.03368	1.2
119.03436	1.5
119.04942	1.9
120.00816	5.7
121.02875	9.3
122.02367	3.0
122.03662	6.1
123.00812	1.5
123.03111	1.1
123.04442	16.9
125.02335	3.3
131.03426	2.3
132.02095	4.3
133.02881	78.2
134.02393	4.5
134.03734	5.9
135.04440	22.7
137.02377	8.9
138.03094	3.1
139.03918	2.5
143.03423	2.7
145.02872	3.7
146.03633	3.0
147.04434	1.9
148.01569	1.7
149.02382	16.2
149.06010	3.6
150.01961	2.7
150.03162	45.7
151.03865	4.1
154.02667	1.7
159.04486	1.0
160.01573	5.7
161.02393	46.2
161.06006	3.1
162.01778	5.4
162.03065	1.2
163.02711	1.2
163.03937	3.4
163.39615	0.9
164.03444	3.4
164.04741	3.4
174.03230	1.5
175.02507	0.9
175.03900	4.6
177.01912	19.9
177.05536	3.1
178.01404	0.9
178.02693	6.8
179.02164	8.8
179.03459	17.7
179.07063	3.4
180.02916	12.9
180.04109	0.9
187.03961	2.1
189.05516	1.4
191.03413	1.5
193.05011	1.1
195.02986	5.3
198.04039	7.2
201.05492	1.4
202.02759	1.2
203.03514	6.1
205.05138	1.4
205.07010	1.3
219.03046	1.6
221.04572	2.3
233.04544	1.6
279.05154	1.3
280.05969	2.0
281.06656	1.1
339.08801	1.3
351.23483	1.0
357.09811	1.5
360.09286	2.5
485.12891	1.4
486.14008	1.3
487.14349	1.0
488.14597	1.8
506.15277	4.5
619.16931	3.7
666.16937	50.5
667.17603	17.2
668.18512	2.2
828.23309	2.4
846.24805	100.0
847.25079	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	839.315
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01271	0.5
60.63372	0.3
61.98703	0.4
64.30032	0.3
67.01766	0.6
69.99802	0.7
70.00204	0.9
81.03382	0.3
93.03351	2.7
96.95905	0.5
98.19875	0.4
101.23416	0.4
107.04937	0.4
108.02075	0.5
109.02856	1.6
116.92755	0.6
121.02864	3.9
122.03659	11.0
123.00792	1.0
123.04510	0.7
124.01581	0.6
125.02424	0.4
133.02931	1.8
134.03676	0.8
135.00792	0.4
135.04437	1.1
136.01604	4.9
137.02370	18.8
138.02748	0.5
146.03685	0.9
147.04375	0.4
149.02380	16.4
149.06029	0.7
150.03166	67.8
151.00314	3.4
151.03966	10.0
152.01108	0.5
152.04652	0.8
161.02409	1.6
162.03079	0.7
163.03970	0.9
164.01106	0.8
164.04761	3.4
165.01889	98.1
165.05519	61.6
166.02644	10.1
166.05821	2.5
167.03397	1.2
168.04254	0.4
175.03998	0.8
176.04674	0.5
177.01888	1.1
177.05560	1.0
178.02658	0.3
179.03462	15.5
179.07051	3.8
180.04242	57.5
181.05017	16.0
182.05399	0.5
184.03806	0.4
187.04037	0.8
190.06456	0.5
191.03528	0.5
192.04288	0.8
193.05003	0.8
194.05811	3.3
195.03029	2.8
195.06606	100.0
196.06915	4.8
203.03514	0.6
204.04428	0.3
205.04971	1.7
207.06601	0.5
209.08145	3.4
210.05325	9.8
210.39206	0.3
211.05971	0.9
219.06610	0.7
220.07372	1.1
225.07689	56.7
226.08040	3.1
236.07039	0.4
245.27319	0.4
251.09241	1.0
329.10440	0.6
357.09732	0.7
367.62350	0.3
373.13000	0.9
387.10724	0.7
387.14819	3.7
388.15164	0.5
402.13287	0.9
403.13986	1.1
416.14911	0.6
417.15634	9.4
418.16187	0.7
471.16254	0.5
497.89896	0.3
565.21033	6.5
566.21210	1.5
595.21985	7.3
596.22406	1.1
613.23010	2.8
614.23584	0.5
625.23346	0.9
629.22284	1.1
643.24152	3.0
667.23315	0.6
743.26929	1.1
773.28278	0.7
791.28992	1.3
792.30432	0.6
821.29883	0.8
839.30792	1.9
840.30981	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.315
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	0.2
61.98721	2.7
67.01788	0.9
67.73398	0.2
68.99714	0.4
70.80605	0.6
70.80975	0.5
71.01318	0.3
72.39796	0.3
77.03852	0.2
81.03376	0.3
85.02875	0.3
89.02322	0.4
93.03352	3.9
95.01287	0.5
95.04930	0.3
96.95918	0.4
97.79362	0.2
101.02341	0.3
105.03387	0.3
107.04960	0.6
108.02089	0.7
109.02869	3.0
116.92769	0.6
117.92868	0.3
119.01335	0.5
119.04958	0.4
121.01974	0.3
121.02864	5.9
121.03676	0.4
122.03658	11.9
123.00794	1.0
123.04431	1.1
124.01591	0.8
125.02388	0.3
132.02098	0.8
133.02882	1.9
134.03654	2.1
135.04451	1.4
136.01591	7.9
137.02376	22.2
138.03032	0.8
139.00269	0.5
139.03937	0.5
145.02895	0.5
146.03668	1.4
147.00816	0.6
147.04451	1.1
148.01581	0.8
149.02386	23.1
149.06001	1.8
150.03169	74.5
151.00319	4.1
151.03954	25.0
152.01073	0.9
152.04723	1.6
153.01842	0.7
153.05450	0.8
154.02620	0.3
156.54597	0.3
159.04453	0.5
160.33949	0.2
161.02419	1.7
161.06000	0.4
162.03191	1.3
163.00330	0.4
163.03941	1.3
164.01118	2.1
164.04745	5.8
165.01888	96.6
165.05516	70.6
166.02660	14.6
166.05807	2.6
167.03438	2.1
175.03986	1.4
176.01073	0.4
176.04732	1.0
177.01903	1.8
177.05522	2.7
178.02682	1.1
179.03459	21.7
179.07080	9.4
180.04240	58.9
181.05016	31.9
182.05371	1.3
184.03778	0.8
187.03975	1.1
188.04724	0.3
189.01926	0.2
190.02629	0.5
191.03484	0.9
191.07077	0.7
192.04228	2.0
193.01463	0.3
193.04994	1.7
194.05830	4.3
195.03033	2.5
195.06601	100.0
196.06943	4.0
202.06380	0.4
203.03256	0.5
204.04282	0.4
205.05022	3.1
206.05748	0.5
207.06638	2.6
209.04689	0.3
209.08185	6.5
210.05319	9.7
210.08365	0.4
211.06160	1.4
219.06577	1.6
220.07396	1.8
221.08124	0.5
223.06131	0.5
225.07687	44.8
226.08008	2.5
233.08276	0.4
235.09685	0.3
273.56204	0.3
282.05280	0.3
315.08917	0.5
327.08743	0.3
329.10312	0.5
330.10751	0.4
332.32114	0.2
339.08743	0.4
341.10400	0.3
347.16946	0.3
357.09943	0.4
359.11526	0.5
371.11508	0.7
372.12125	0.6
373.12924	0.9
385.12955	0.3
386.13962	0.4
387.10657	0.9
387.14584	3.7
388.11209	0.5
391.55099	0.3
401.12402	0.5
402.13345	1.2
403.14056	2.5
404.14188	0.3
416.14767	2.0
417.15625	15.1
418.16037	1.2
449.27512	0.5
451.15964	0.3
457.15015	0.4
471.17139	0.5
489.17377	0.4
535.16608	0.9
549.17584	0.5
550.18579	0.6
564.20270	1.5
565.20966	15.1
566.21252	2.2
577.21106	0.3
580.19708	0.4
581.19995	0.4
583.22467	0.3
594.21240	2.6
595.21942	14.1
596.22308	2.1
607.22144	0.3
612.21869	0.3
613.22980	5.6
614.23291	1.2
619.21802	0.9
625.23016	1.9
642.23608	0.3
643.23999	3.2
644.24237	0.5
649.22626	0.5
660.64392	0.3
667.23926	0.7
697.25555	0.4
743.27234	8.7
744.27606	1.6
755.26910	0.3
773.28192	3.2
774.28113	0.7
785.28107	0.3
791.29498	3.1
792.29492	0.8
803.29327	0.7
821.30060	0.9
822.31580	0.3
839.31567	3.4
840.31470	1.0
854.45917	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	846.2326
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00994	2.4
59.01265	32.1
64.01807	2.5
65.99719	4.8
67.01766	1.9
69.03310	2.1
71.00896	3.1
71.01266	36.9
71.57990	2.0
72.99197	5.9
73.02492	1.8
73.02828	12.9
75.00750	3.5
81.03326	3.5
83.01268	4.1
85.02853	15.1
86.00031	1.8
87.00769	15.9
89.02332	14.2
89.03902	2.0
93.03354	3.7
95.01275	7.5
97.02897	2.6
99.00783	5.4
101.02363	20.0
103.03908	3.7
105.03349	3.0
107.04904	2.4
109.02866	7.9
109.52326	2.5
113.02369	10.9
117.03368	2.2
119.03403	5.8
121.02852	8.1
122.02380	2.9
122.03676	5.6
123.00793	5.8
123.04436	35.8
125.02328	3.5
131.03429	12.3
133.01849	2.6
133.02893	35.3
134.02357	7.2
134.03403	2.3
135.04462	55.2
137.02385	5.3
139.03917	4.4
143.03410	5.1
147.04448	2.6
149.02397	18.8
149.05986	5.5
150.01945	3.1
150.03151	41.8
151.03920	7.8
161.02388	68.9
161.04395	11.2
162.01901	7.0
164.03485	3.1
165.01849	3.5
166.02682	5.7
175.03961	7.4
177.01889	36.0
177.05527	5.4
179.03464	36.8
180.03008	8.2
182.83464	2.2
195.02945	7.1
195.37590	2.0
196.02470	10.0
198.04086	5.1
203.03452	15.9
221.04636	2.7
221.06630	9.1
300.02817	2.1
440.16971	2.5
443.12048	3.9
503.16251	4.6
649.20300	5.2
650.19397	2.7
668.20581	100.0
669.20911	12.4
684.17847	2.6
799.23151	10.3
800.23376	5.9
802.24829	3.7
828.22833	2.8
846.07336	3.8
846.23376	63.2
847.23615	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	837.2995
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01274	1.1
61.98705	2.6
65.00200	1.2
68.99706	16.5
69.30707	0.7
71.01255	1.8
71.27784	1.6
71.28159	1.0
72.99192	0.7
79.74297	0.7
81.03345	0.9
87.00764	0.7
89.02366	0.8
94.32915	0.7
95.01292	3.2
95.04906	0.8
96.95921	1.9
98.20467	0.8
99.92474	1.9
101.02369	1.1
104.02445	0.7
105.03341	1.1
108.02074	2.0
109.02875	6.1
110.00007	1.1
116.92769	20.4
117.92773	0.9
119.04937	1.0
120.02087	1.3
121.02876	5.0
122.03676	6.7
123.00799	11.5
123.04431	2.7
124.01608	3.6
125.02389	9.6
125.99539	1.1
126.02757	0.7
132.02066	1.2
133.02861	3.5
135.04449	2.5
136.01576	3.0
137.02370	11.0
138.03157	29.6
139.03975	4.9
145.02855	1.4
146.03609	2.0
147.00771	2.3
148.01569	1.6
149.02386	14.4
149.05972	2.0
150.03163	41.9
151.00325	1.8
151.03967	7.2
153.01880	9.5
153.05516	38.8
153.99059	1.1
154.05844	1.8
160.01579	2.7
161.02365	7.3
161.06055	1.1
162.03148	3.5
163.00317	2.5
163.03932	2.5
164.04732	5.4
165.01888	15.8
165.05525	37.8
166.02660	7.1
166.05870	1.4
167.03381	1.0
168.04222	27.6
169.04532	1.0
175.00327	11.8
175.03983	1.0
176.01118	31.6
176.04636	1.1
177.01892	20.5
177.05490	2.8
178.02670	15.6
179.03511	5.7
179.07077	19.7
180.04251	8.9
180.07370	1.3
181.05049	7.8
184.03874	0.8
189.05534	0.9
190.02713	2.0
191.03482	24.9
192.04254	42.2
193.01407	25.6
193.05008	17.1
194.01775	1.1
194.05748	2.0
195.06598	15.4
196.07079	1.2
197.04523	1.5
203.03372	1.1
205.05000	3.0
207.06610	47.9
208.03754	36.6
208.06932	1.9
209.04489	5.1
209.08127	1.7
209.11790	1.2
219.06631	3.8
223.06116	100.0
224.06456	6.3
225.05772	0.9
225.07607	4.9
238.04808	2.0
251.51172	0.7
315.08905	0.9
331.15521	1.8
346.10678	0.9
377.12506	1.2
387.10538	1.8
401.12836	1.1
402.13095	1.4
417.15637	2.5
449.14609	2.1
565.21033	3.1
579.19055	1.2
610.20337	1.3
611.21649	1.8
622.19800	1.3
623.20349	1.3
627.20740	1.7
640.21808	20.8
641.22546	12.7
642.22870	2.1
695.23755	1.0
771.26245	0.9
775.26855	1.1
789.28253	1.8
807.28735	2.2
819.29810	2.1
837.29956	44.0
838.30170	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	833.3264
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00498	0.6
59.01266	10.9
61.98714	1.3
62.79644	0.6
69.30387	7.0
71.01268	10.0
72.99202	1.4
73.02842	5.4
75.00783	0.9
83.01273	0.8
83.23938	0.6
85.02843	4.6
85.87653	0.5
85.99993	0.7
87.00766	5.2
87.04390	1.1
88.98715	0.9
89.02353	4.4
93.03371	1.0
95.01308	0.6
96.95895	3.4
99.00775	0.6
101.02352	5.6
103.03909	1.3
105.03364	0.7
111.67067	0.7
113.02382	4.2
115.03925	1.4
117.03368	1.2
118.97998	0.6
119.03428	1.7
119.04961	0.7
121.02856	0.9
123.04466	1.1
125.02370	0.9
131.03453	3.4
132.02103	3.6
133.02882	54.3
134.03760	4.9
135.04451	20.9
136.04782	0.8
137.02380	1.0
143.03436	5.1
145.02867	1.2
145.05078	0.6
146.03673	1.9
147.04436	2.0
148.82945	0.7
149.06053	1.2
150.03099	0.6
151.03975	1.3
159.04456	2.5
160.05222	2.8
161.02391	100.0
162.02737	6.4
163.02902	0.7
163.06102	1.7
172.05260	1.6
173.06053	4.0
174.03252	1.2
174.06718	0.6
175.03984	1.2
175.07610	0.7
177.05598	0.9
179.03474	10.3
181.04974	0.9
185.06050	1.0
186.06740	0.7
187.03975	4.4
189.05443	0.8
201.05443	3.3
202.06340	23.4
203.03487	1.1
203.06711	1.2
205.07178	2.4
211.13428	4.1
227.03560	0.7
283.13449	13.8
283.16461	0.6
299.16510	1.8
301.14490	5.6
302.14774	0.8
309.15048	5.4
310.15262	0.8
327.12491	0.9
327.16058	11.3
328.16489	1.6
335.42813	0.7
345.17093	6.1
346.17270	1.0
363.18311	1.5
371.15073	1.5
387.14633	1.2
487.15039	0.9
525.23596	3.9
526.23962	0.9
632.89850	0.7
653.19733	1.0
653.29083	0.9
671.29376	53.6
672.29755	8.1
789.29980	0.9
833.32593	60.4
834.32910	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	836.3644
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98703	1.5
63.02282	2.7
63.23374	0.3
64.23209	0.3
65.00203	2.9
68.99705	0.4
76.75342	0.3
81.03371	0.6
83.01262	3.4
91.01814	0.5
95.01289	3.2
98.20602	0.6
107.01302	8.3
108.02092	1.4
109.02860	46.0
109.40495	0.3
110.03200	1.3
111.00790	1.0
119.01283	0.7
123.00786	0.8
124.01576	2.8
125.02367	7.2
133.02866	1.2
134.00093	0.3
135.00816	4.9
137.02393	1.1
139.00237	0.5
145.02902	1.0
147.00795	0.4
151.00311	25.4
152.01097	11.0
152.02341	0.5
153.01878	17.8
154.02232	0.5
159.04492	0.9
161.02354	2.1
163.00322	47.8
164.00890	2.6
169.01408	3.1
171.04478	0.5
171.55057	0.3
174.03255	0.4
175.03975	1.5
177.25270	0.3
178.99828	22.2
180.00182	1.1
181.01398	1.7
182.03740	0.3
183.04486	1.3
185.02565	0.3
187.04024	1.9
189.01917	0.7
190.99838	34.6
192.00156	1.6
199.04019	1.8
201.01993	0.5
201.05540	0.7
202.02690	0.4
203.03525	2.4
205.05132	0.3
206.99350	26.1
208.00108	10.1
211.04013	4.3
212.04385	0.5
213.01959	1.0
217.05042	2.3
226.02727	0.4
227.03510	10.8
228.03822	0.6
229.01558	0.5
229.05000	1.0
229.78516	0.3
230.02248	0.7
231.02972	3.4
243.03069	1.0
245.04588	3.5
253.09366	0.7
255.03018	13.1
258.01627	1.7
271.02563	5.4
273.04135	4.2
281.00964	0.7
282.01730	0.4
283.50369	0.4
289.03586	0.7
291.19800	0.5
299.02032	16.7
300.02399	1.3
309.20715	2.0
313.14630	0.5
314.14975	0.4
315.15952	2.5
316.16400	1.4
317.03085	100.0
318.03427	6.3
375.78415	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.3432
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01268	26.6
59.01569	1.3
61.98726	3.2
65.63470	0.8
71.01273	17.5
71.31161	0.8
71.49326	2.1
72.99201	2.6
73.02827	1.0
80.04969	2.1
83.01264	1.3
85.02850	4.1
87.00802	2.2
88.98700	3.0
89.02344	12.5
90.88863	0.8
95.01273	1.1
96.95918	10.0
101.02352	8.0
106.06559	5.3
113.02358	6.6
116.92809	0.9
119.03423	3.4
120.04518	1.2
122.06033	9.0
124.91079	0.9
125.02353	0.9
131.11519	0.9
132.04503	2.2
133.02867	5.2
134.06047	25.0
135.04486	4.5
136.07600	1.3
144.14101	0.9
145.02869	1.6
149.06010	1.3
151.00293	2.1
152.07088	5.5
160.06375	1.1
161.02403	8.6
163.04002	1.0
164.39716	0.9
174.05615	1.1
179.03415	2.8
179.05602	1.0
180.06616	1.6
188.07149	1.2
190.05045	1.2
209.11809	3.7
211.08844	1.0
213.10358	6.3
223.08713	1.0
225.10332	2.3
235.08585	1.2
237.10294	2.1
239.11949	5.1
241.13541	3.2
241.66225	0.9
249.10320	2.1
250.07434	1.7
251.08244	3.5
251.12003	2.4
252.09073	2.2
253.09906	4.2
263.08304	3.7
264.09039	3.0
265.07153	0.9
265.09854	4.2
266.10547	1.0
267.11395	4.0
275.08286	1.0
277.09833	4.8
278.07001	3.0
278.10562	5.9
279.07816	5.2
279.11057	5.9
285.12497	9.6
286.12659	1.1
290.10477	1.0
291.07840	1.9
292.08594	3.2
293.09381	9.5
293.12833	1.5
294.10104	3.8
295.10876	5.3
301.03616	3.3
305.09235	2.8
306.10101	1.6
307.10934	3.3
309.12427	1.8
314.12427	1.3
321.08868	2.8
328.11060	1.1
333.08707	1.2
337.08389	2.2
337.11795	1.9
339.09863	4.2
343.13226	1.0
351.10007	2.4
356.13846	1.2
358.15710	3.2
360.13388	1.0
370.11707	1.1
370.15802	1.8
372.17508	1.3
384.13470	2.5
385.14413	1.1
397.13913	1.5
398.15219	2.1
399.15573	1.5
400.16788	5.4
401.17453	1.1
406.28925	1.0
412.16809	3.7
414.18488	1.2
425.17505	1.6
442.18073	1.3
444.16010	1.3
468.15491	1.5
475.17993	1.1
486.16864	2.8
504.17285	1.3
569.67920	1.2
605.23138	1.3
620.22540	3.1
638.23730	5.4
639.24359	1.2
641.26141	2.5
648.22052	3.5
649.22681	1.7
666.23322	22.1
667.23663	4.2
673.28888	2.7
680.24939	3.2
698.26154	1.0
712.27521	10.5
727.29938	6.1
759.33118	1.6
771.29077	50.4
772.29346	9.6
803.31653	100.0
804.31964	24.2
835.34070	22.4
836.34796	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	834.494
Annotation	Unknow
Peak:m/z	Relative Intensity
69.25549	0.1
70.95042	0.1
77.18895	0.1
93.03340	0.1
104.17370	0.1
111.00780	0.1
121.02905	0.3
132.02058	0.1
132.70119	0.1
133.02876	4.5
134.03683	1.9
134.72659	0.1
135.04454	2.7
136.04802	0.1
137.02377	1.9
139.03937	0.6
150.03148	0.2
161.02386	23.0
162.02715	0.9
163.04022	0.1
165.01808	0.1
169.20200	0.1
177.16492	0.1
178.02678	0.7
179.03473	1.8
180.03799	0.1
210.52881	0.1
279.35791	0.1
315.16068	100.0
316.16391	8.8
854.69568	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	831.4152
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98717	100.0
76.44389	0.1
78.95786	0.2
79.95609	0.2
211.07565	0.3
222.72581	0.2
225.00905	0.2
253.09488	0.2
271.51102	0.2
277.21771	0.4
278.22144	0.3
398.13290	0.2
412.69379	0.2
724.43848	0.2
767.09137	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.4155
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98719	100.0
62.98434	0.2
66.76436	0.1
71.01263	0.1
80.96407	0.2
87.32075	0.1
97.02869	0.1
97.85312	0.1
110.38525	0.1
202.81461	0.1
207.10347	0.2
211.20067	0.1
229.30415	0.2
277.22000	0.2
278.22238	0.1
294.58398	0.1
377.80161	0.2
377.94891	0.2
711.21521	0.2
724.42609	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.5075
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00952	0.4
59.01263	7.8
61.98711	1.1
62.96311	0.5
66.94629	0.3
67.70596	0.3
71.16261	0.4
71.16592	0.6
74.35647	0.3
78.95795	87.1
80.96398	0.3
82.47487	0.3
92.92716	0.8
94.23643	0.3
95.34866	0.3
96.96864	17.8
116.97153	0.9
134.98450	0.8
138.10579	0.4
141.01637	8.2
142.01956	0.6
143.99113	0.6
150.97943	0.4
152.99532	22.1
223.00133	8.4
223.01927	0.5
241.01218	36.2
242.01573	1.1
255.23340	62.8
256.23694	4.7
259.02289	2.5
275.20462	0.4
277.21786	39.1
278.22189	3.5
297.03983	2.1
305.02475	1.6
315.04956	1.2
343.04639	0.4
387.02634	1.0
391.22607	6.4
392.22971	1.0
402.03348	0.3
409.23581	0.6
413.21109	1.3
414.21484	0.3
553.28003	6.2
554.28082	0.7
571.28687	0.7
575.26263	1.0
740.56525	0.4
831.50470	100.0
832.50757	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	832.4791
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98418	0.1
61.98719	1.9
69.70602	0.4
85.92448	0.1
98.79245	0.1
104.63505	0.1
106.04136	0.1
106.54866	0.1
107.04939	0.1
109.02903	0.1
111.00810	0.1
112.24936	0.1
117.03375	0.2
121.02901	0.4
132.02063	0.2
133.01854	0.2
133.02887	5.9
134.03683	3.2
135.04454	18.3
135.19084	0.1
136.04794	0.7
137.02374	2.8
139.03975	0.9
140.26390	0.1
145.02902	0.2
150.03160	0.4
161.02394	21.9
162.02727	0.8
178.02690	1.1
179.03464	14.7
180.03812	0.5
269.15479	0.1
279.23358	0.1
313.14529	100.0
314.14871	9.7
398.37561	0.1
830.05682	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	833.3264
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01270	9.0
61.98720	1.8
71.01276	8.1
72.99210	1.2
73.02841	3.2
77.03851	0.5
83.01259	0.7
85.02854	3.5
86.00009	0.7
87.00767	3.2
87.04410	1.0
88.98716	0.6
89.02345	4.4
96.95922	4.0
98.19723	0.6
99.00797	0.5
99.04446	0.5
101.02346	5.3
103.03931	0.5
103.17313	0.4
105.03378	0.5
113.02353	3.9
115.01820	0.5
115.03922	1.0
117.03350	1.1
119.03425	2.2
119.04977	0.7
121.02884	0.6
123.00904	0.4
123.04465	0.7
125.02374	2.3
131.03418	2.3
132.02107	3.4
133.02887	52.0
134.03607	3.0
135.04454	8.8
137.02393	1.0
137.24075	0.4
143.03450	3.2
145.02910	0.5
146.03680	1.7
147.04475	1.2
149.06049	0.5
150.03171	1.0
150.06781	0.9
151.03961	1.0
159.04512	2.6
160.01611	0.6
160.05209	2.7
161.02397	100.0
162.02748	4.9
163.06137	0.6
163.07501	0.5
172.05247	1.2
173.06110	2.1
174.03238	0.6
174.06807	0.9
175.03860	0.8
177.05614	0.6
179.03462	4.4
179.10619	0.6
186.06747	0.7
187.04016	3.6
201.05490	2.7
202.06337	14.9
203.03503	0.6
203.06827	1.2
205.07146	1.7
211.13405	3.4
217.90666	0.5
247.01465	0.5
257.15585	0.5
283.13480	9.4
284.13892	0.7
299.16592	1.0
301.14426	4.6
309.15128	4.0
315.16049	0.4
317.17667	0.8
327.12231	0.8
327.16055	10.9
328.16516	1.3
338.06912	0.5
345.17096	6.0
346.17416	1.0
363.18170	1.6
371.15005	1.8
427.66406	0.5
487.14459	0.6
507.22675	0.6
508.23618	0.5
525.23566	3.3
526.23676	0.9
528.18585	0.6
653.28113	1.2
671.29407	42.2
671.39337	1.5
672.29926	7.1
697.27771	2.1
816.17285	0.5
833.32587	54.5
834.32837	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	830.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00476	0.6
59.01267	19.6
64.01799	4.9
65.99738	3.1
67.01791	0.6
68.84088	0.6
68.99726	0.6
69.03357	1.0
71.01271	18.0
71.35283	0.9
72.99203	1.3
73.02842	9.0
75.00793	0.6
81.03390	0.7
83.01285	1.9
85.02842	7.5
85.99989	1.2
87.00781	6.9
88.98693	0.8
89.02341	8.3
90.03387	0.7
94.02889	1.6
95.01287	2.8
97.02871	1.5
99.00785	1.7
101.02351	14.5
103.03919	2.2
104.02585	0.8
105.03365	1.2
106.02908	0.9
107.01287	1.0
109.02850	2.2
111.00773	1.2
113.02366	6.2
113.96870	0.6
114.64121	0.5
115.03907	1.0
117.03381	0.9
118.02938	0.7
119.03405	3.5
120.00867	0.8
121.02927	1.4
122.02424	1.9
122.03704	2.9
123.04462	1.9
125.02399	2.8
131.03444	6.1
132.02110	3.1
133.02882	42.5
134.02409	5.1
134.03703	4.9
135.04451	56.4
136.04790	2.1
137.02393	3.1
138.03192	1.1
143.03444	1.9
145.02968	0.6
147.04466	0.7
149.02411	3.1
149.06013	4.3
150.01947	2.9
150.03160	33.2
151.03618	1.6
153.05458	0.7
154.33083	0.6
159.02991	1.1
160.01596	0.7
161.02391	91.1
161.04323	6.1
162.01707	6.6
162.02928	1.8
163.04024	0.6
164.03494	3.0
175.03932	3.1
177.01892	2.5
177.05493	5.7
178.02718	0.8
179.03464	46.8
180.02776	6.2
198.04091	1.0
201.05562	1.3
203.03488	13.1
204.03804	0.8
205.04974	0.9
206.00980	2.0
217.05013	0.7
221.04506	2.4
221.06662	4.6
224.01918	0.7
245.04674	0.8
251.05815	0.6
331.17795	1.0
383.10037	1.2
443.11810	0.7
477.15701	0.6
506.14920	0.8
518.46448	0.6
621.19745	0.6
649.20135	2.0
650.19727	0.7
668.20276	8.0
669.20599	0.9
783.23743	8.7
784.24219	2.5
830.23792	100.0
831.24078	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	830.2378
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00485	0.8
58.62614	0.5
59.01265	17.8
64.01807	1.7
65.00195	0.6
65.99725	2.7
69.03355	1.0
71.01267	18.2
71.58345	0.7
72.99207	1.8
73.02839	5.9
81.03358	0.6
83.01282	1.6
85.02847	7.9
85.99982	1.0
87.00768	7.1
89.02340	8.0
89.03872	0.7
90.03356	0.5
93.03356	0.6
94.02892	0.9
95.01305	1.9
97.02834	1.2
99.00793	2.1
101.02349	11.8
103.03918	2.1
105.03390	1.7
107.04958	0.9
109.02868	2.5
111.00784	2.1
113.02348	7.3
115.03934	0.6
117.03397	1.7
119.03437	2.5
119.04977	0.6
121.02869	1.6
122.02422	1.6
122.03647	2.9
123.04453	1.6
125.02387	2.8
126.10494	0.6
131.03435	5.3
132.02065	3.2
133.02887	41.8
134.02446	4.4
134.03711	5.3
135.04448	61.4
136.04791	2.1
137.02397	2.5
138.03194	0.6
143.03442	1.2
147.03294	0.6
147.04420	1.1
148.05203	1.1
149.02403	2.4
149.06023	4.1
150.01973	1.8
150.03163	32.2
151.03694	1.6
152.03528	0.8
153.05525	0.7
159.02888	0.9
161.02396	94.5
161.04553	4.0
162.01849	3.4
162.02811	3.5
162.04779	0.6
163.06041	0.6
164.03522	1.7
165.00443	0.5
174.03221	0.6
175.03963	4.3
177.01941	1.0
177.05522	6.9
179.03467	40.7
180.02806	5.2
198.04118	2.1
201.05685	0.6
203.03490	13.1
204.03822	0.6
221.04535	2.2
221.06674	4.3
233.06712	0.8
245.04590	1.0
383.09821	1.1
425.10815	0.7
443.12048	1.2
487.14627	0.6
506.15439	0.6
522.14899	0.7
621.20166	0.9
631.19476	1.0
636.14325	0.6
649.20441	2.6
650.19922	1.2
668.20435	7.9
669.20569	1.2
783.23657	12.5
784.24603	3.7
830.23834	100.0
831.24182	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	830.238
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	9.5
61.98686	0.7
63.92068	0.6
64.01807	1.6
65.99730	1.9
66.18810	0.7
69.03363	1.1
70.97582	1.6
71.01260	6.8
72.99189	1.2
73.02834	5.2
73.42554	0.7
73.67999	0.8
81.03331	0.8
83.01283	1.0
85.02850	5.2
85.99989	1.1
87.00754	5.2
87.04430	1.6
89.02328	2.1
95.01295	1.8
99.00797	1.5
100.53509	0.7
101.02334	4.2
109.02879	1.7
111.00807	0.8
113.02383	3.6
115.03938	1.3
117.03363	1.7
119.03371	1.1
121.02855	2.3
122.02380	1.7
122.03646	2.3
123.03187	0.8
123.04449	1.4
125.02379	0.9
131.03426	2.9
132.02094	2.4
133.01848	1.1
133.02878	26.3
134.02386	3.7
134.03647	3.6
135.04448	52.0
136.04802	2.1
137.02396	2.9
138.03133	1.0
139.03912	0.9
143.03462	3.6
147.19511	0.7
149.02386	3.3
149.06015	3.3
150.01971	2.8
150.03156	34.3
151.03770	1.7
152.03484	0.8
153.05464	0.9
159.04724	0.8
160.01653	2.1
161.02385	100.0
162.01672	4.7
162.02991	1.6
164.03464	2.6
175.03947	2.2
177.01897	1.4
177.05518	6.0
178.02684	1.1
179.03461	51.1
180.02753	5.1
185.96425	0.7
189.05536	1.1
198.04033	3.7
203.03479	19.2
205.07178	2.5
221.04526	4.3
245.04356	0.8
281.06668	2.6
315.99432	0.6
323.07773	2.5
336.32889	0.9
360.09418	1.9
379.60681	0.8
381.10144	0.8
487.14798	1.3
506.15207	15.8
507.15466	1.8
621.19141	3.7
668.18439	43.3
669.18695	7.4
830.23761	71.8
831.24084	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	828.441
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01264	10.8
61.98719	16.0
68.15144	0.7
71.01270	2.9
78.83478	0.8
80.02574	0.8
81.03332	1.2
83.04927	1.0
87.00774	1.0
89.02339	1.5
97.02854	2.1
98.19799	2.4
101.02336	3.9
109.06496	11.8
113.02374	1.8
128.67937	0.7
135.08067	1.3
140.16794	0.7
145.04967	1.3
145.35114	0.7
161.04529	0.8
163.11250	7.7
181.12276	1.5
189.09206	2.4
207.10255	50.8
208.10622	3.2
225.11345	16.2
229.54788	0.9
235.08240	7.7
242.27556	0.8
253.09323	12.4
277.21774	100.0
278.19296	1.3
278.22104	9.5
339.89200	0.8
443.19043	3.6
461.20355	4.7
467.31863	1.4
485.32684	1.0
721.41785	28.3
722.42175	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	829.3314
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00478	0.4
59.01266	23.6
61.98700	1.1
69.03349	0.7
69.30681	3.3
71.01270	14.4
71.35450	0.3
72.99203	1.1
73.02835	22.6
78.38512	0.4
78.95827	0.4
83.01285	2.0
85.02836	3.5
87.00784	1.9
89.02335	5.4
89.02835	0.5
93.03362	0.6
96.95919	2.4
97.02856	1.0
99.00779	1.1
101.02349	14.7
102.02671	0.3
113.02371	2.2
116.92854	0.4
117.03385	4.6
119.03471	4.9
119.04942	17.7
120.05268	0.7
121.02860	0.7
123.04413	0.4
133.02866	1.3
135.04434	1.0
145.02890	22.4
145.06499	0.5
146.03214	0.8
149.06033	0.8
150.03130	0.4
161.02570	2.7
161.04503	35.0
162.04793	1.0
163.03961	13.1
164.04268	0.4
179.03491	0.6
182.87079	0.4
189.09096	0.4
191.05653	0.5
215.90997	0.3
219.10081	0.3
221.56604	0.3
254.80551	0.4
263.09280	4.5
264.09637	0.5
290.39069	0.4
295.40936	0.3
297.17007	1.0
315.18188	100.0
316.18500	7.4
342.79318	0.3
357.19257	51.0
358.19601	4.6
427.14059	42.1
428.14417	4.6
571.87854	0.4
651.00177	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.4761
Annotation	Unknow
Peak:m/z	Relative Intensity
60.09600	0.1
61.98712	0.2
63.31480	0.1
71.15266	0.3
75.99783	0.1
78.91228	0.1
82.00291	0.1
91.71767	0.1
92.04142	0.1
121.02879	0.3
132.02066	0.2
133.02879	4.9
134.03668	2.2
135.04462	2.7
137.02385	1.7
139.03952	0.7
141.42328	0.1
150.03127	0.2
161.02397	23.9
162.02710	0.9
163.64220	0.1
174.78630	0.1
178.02643	0.6
179.03467	2.2
183.29256	0.1
315.16068	100.0
316.16409	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	830.2381
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00475	0.5
59.01263	11.2
60.53075	0.5
64.01816	1.4
65.99736	1.4
68.03784	0.3
69.03351	0.8
71.01270	11.2
71.01669	0.6
72.99179	0.7
73.02834	5.2
77.46924	0.4
83.01282	1.3
83.41261	0.3
85.02837	4.4
85.99993	0.7
87.00768	4.8
89.02340	5.7
95.01295	1.1
97.02863	0.8
98.20632	0.8
99.00795	1.3
101.02342	8.5
103.03919	1.0
105.03381	1.2
106.02930	0.6
107.01278	0.5
107.04922	0.6
109.02868	1.8
111.00793	1.0
113.02358	4.7
117.03387	0.9
119.03403	1.8
120.00871	0.5
121.02908	1.0
122.02380	0.8
122.03648	1.9
123.03152	0.5
123.04420	1.1
125.02368	1.6
131.03444	3.5
132.02081	2.0
133.02881	28.3
134.02380	2.2
134.03619	3.9
135.04446	39.7
136.04814	1.0
137.02357	1.7
138.03114	0.4
143.03409	0.9
147.04457	0.6
148.05257	0.4
149.02385	1.7
149.06039	3.0
150.01945	1.6
150.03159	21.3
151.03685	0.6
152.03407	0.5
159.02901	0.7
160.01622	0.6
161.02391	63.0
161.04547	3.5
162.01889	2.6
162.02895	1.5
163.02710	0.6
163.06081	0.7
164.03482	1.9
167.79077	0.4
175.03963	3.3
177.01917	0.5
177.05554	4.2
178.02661	0.6
179.03462	29.7
180.02827	4.1
198.04045	0.5
203.03491	10.6
205.05148	0.7
215.03513	0.5
221.04559	1.5
221.06679	3.5
229.36656	0.5
245.04546	0.9
302.38144	0.4
367.10297	0.5
383.09866	0.6
443.11789	0.5
613.35699	0.4
621.20776	0.8
631.18103	0.8
649.19965	2.0
650.19946	0.9
668.20612	6.6
669.21039	0.9
783.23590	9.4
784.23566	2.5
830.23785	100.0
831.24133	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	827.4611
Annotation	Unknow
Peak:m/z	Relative Intensity
59.11268	0.1
74.42290	0.1
93.03347	1.1
98.19664	0.3
106.04164	0.5
109.02850	0.4
111.00758	0.7
121.02879	2.9
124.01591	0.2
128.94777	0.1
133.01855	0.3
133.02879	7.1
134.03668	16.0
135.04471	6.7
136.04773	0.3
137.02379	18.1
138.02710	0.6
139.03944	6.0
145.02899	0.3
148.05264	0.5
149.02397	0.6
150.03186	2.1
154.76398	0.2
161.02397	6.7
162.03027	0.2
165.01886	0.6
178.02673	15.3
179.03459	4.8
180.03902	0.2
182.09596	0.1
194.02409	0.2
200.08511	0.2
201.09198	0.2
229.80418	0.2
230.32710	0.2
253.12553	0.2
269.15524	4.0
270.15784	0.4
292.34988	0.2
313.14523	100.0
314.14868	9.1
739.32135	0.1
749.96082	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	828.4412
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01268	13.2
61.98718	16.7
71.01273	2.7
80.39404	0.8
81.03350	1.9
83.01263	1.5
83.04921	1.5
89.02335	3.5
92.37437	0.9
93.34054	0.8
95.13892	0.8
95.27011	0.8
97.02850	3.5
98.19678	1.6
99.00782	1.1
101.02355	4.8
109.06504	26.5
112.60909	0.8
113.02367	1.7
115.46021	0.7
119.03378	1.2
121.06499	1.4
135.08110	1.6
138.47638	0.8
142.02657	1.1
161.04544	1.4
161.09587	0.8
163.11235	14.6
179.05571	1.1
181.12323	1.4
189.09172	2.8
196.61974	0.8
207.10257	100.0
208.10593	5.2
209.11737	1.5
225.11324	32.0
226.11580	2.0
235.08321	3.3
253.09341	17.4
259.16455	0.9
277.21796	68.3
278.22202	6.2
314.17416	1.0
398.65561	0.8
406.43686	0.9
423.32849	1.4
441.33725	2.0
443.19363	5.3
461.20377	18.5
462.20688	1.6
467.31580	1.4
642.98944	1.0
703.41534	1.8
721.41827	35.5
722.42108	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	818.4572
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01256	0.1
61.98715	100.0
62.98428	0.2
71.01274	0.2
71.58775	0.1
71.59159	0.1
78.95786	0.2
80.40554	0.1
81.31819	0.1
113.02380	0.1
151.56456	0.1
152.99509	0.2
171.40836	0.1
188.06955	0.2
199.62953	0.1
209.11844	0.9
210.12207	0.5
211.12370	0.2
222.11418	0.2
227.12904	0.2
244.09624	0.2
253.09373	0.2
262.10657	0.5
277.21765	0.7
278.22223	0.5
279.22513	0.2
293.21426	0.4
306.20728	0.2
329.91599	0.1
664.34290	0.1
736.43463	0.2
747.76575	0.1
750.28107	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	818.4567
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98718	100.0
66.48990	0.2
98.20548	0.5
106.26337	0.2
123.43873	0.2
152.99557	0.6
157.68930	0.2
182.02415	0.2
209.11884	0.9
210.12201	0.4
235.08337	0.2
277.21857	0.7
278.22220	0.6
279.22458	0.3
293.21335	0.2
329.67407	0.2
428.16556	0.2
492.10333	0.2
510.22296	0.2
609.57104	0.2
632.92914	0.2
711.25201	0.2
828.60620	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.3205
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01275	1.2
61.98719	4.6
67.01796	0.8
69.46658	5.4
71.01263	0.8
77.37809	0.7
90.62105	0.7
90.70787	0.6
93.03344	4.0
95.01299	1.2
96.95922	2.2
109.02853	4.3
115.48153	0.7
116.92772	1.1
119.04982	0.7
121.02882	6.5
122.03664	15.6
123.00784	1.6
123.04478	2.1
124.01560	0.9
125.02355	1.6
132.02104	1.0
133.02879	3.6
134.03723	1.3
135.04439	2.1
136.01591	3.9
137.02377	16.7
139.03967	1.6
145.02895	1.3
146.03664	0.9
147.04477	1.4
149.02386	29.8
149.06033	2.9
150.03169	100.0
151.00298	7.7
151.03880	7.2
152.01067	1.6
152.04755	4.1
153.01886	0.7
153.05530	0.8
159.04446	1.0
161.02419	2.7
161.06026	0.9
162.03214	1.3
163.03970	1.8
164.04745	7.3
165.01889	7.5
165.05522	92.7
166.02678	28.7
166.05795	3.1
167.03445	3.8
174.03238	0.8
175.03964	2.0
176.04703	1.1
177.01895	1.8
177.05553	2.5
178.02649	0.9
179.03534	3.3
179.07071	6.5
180.04243	8.6
181.05032	37.5
182.05385	1.5
184.03677	1.5
187.03989	1.9
190.02693	1.3
190.06293	1.1
191.03471	2.0
192.04247	1.0
193.05017	2.5
195.06607	61.3
196.06883	2.6
204.04164	1.0
205.05072	7.5
205.08760	0.9
206.05785	1.4
207.06584	1.4
209.08128	0.8
210.05336	0.8
219.06645	1.7
220.07391	6.2
221.08150	1.8
225.07623	2.2
235.09711	0.9
250.50443	0.7
271.61435	0.7
315.08798	1.4
341.10583	1.1
354.11160	0.8
357.09512	1.0
357.13428	1.0
372.12189	2.2
379.28760	0.9
387.10620	3.0
387.14886	10.6
402.13141	4.5
403.13992	2.7
416.14740	1.9
417.15656	33.5
418.15988	3.8
455.53055	0.7
471.16586	1.0
481.89777	0.9
505.15170	1.0
535.16431	2.7
544.81610	0.7
550.18097	1.8
551.18018	1.0
565.20905	45.0
566.21295	6.5
579.22064	1.0
595.21844	5.6
597.23218	2.9
609.22864	0.8
613.23151	6.9
614.23022	1.3
626.23645	2.4
627.24652	13.4
628.24225	2.1
681.25836	1.3
775.29840	11.2
776.29584	2.5
805.31122	2.0
823.31396	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	815.4823
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	3.7
61.98708	0.5
69.03338	0.3
69.69783	1.8
71.01268	2.8
73.02837	0.8
80.02565	0.9
81.03349	0.9
83.01266	0.5
83.04917	3.1
84.02057	0.5
85.02856	0.6
87.00781	0.7
87.30238	0.3
88.98695	0.3
89.02334	1.9
91.03818	0.3
95.04906	0.6
101.02346	2.5
113.02364	1.3
119.03445	0.6
135.08051	0.4
147.11772	0.3
161.04529	1.1
163.11247	3.3
165.12836	1.4
181.12283	0.4
191.10809	0.8
209.11823	100.0
210.10304	0.5
210.12155	6.5
227.12901	11.9
227.15154	0.7
228.13177	0.6
235.08217	3.5
251.12990	0.3
253.09340	7.9
259.20544	0.3
271.60623	0.3
277.21786	74.3
278.22147	6.5
438.84720	0.3
445.20932	2.8
463.21600	0.3
513.30750	1.2
514.30640	0.3
693.75104	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.5011
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	29.7
61.98703	16.8
70.73830	7.2
71.01257	9.8
71.36329	22.7
78.98483	13.6
79.95624	17.3
80.96412	100.0
94.98000	19.7
98.68446	8.0
116.69677	8.3
118.45988	7.6
127.79853	8.2
164.98566	12.1
174.99197	12.1
206.66533	8.1
217.00334	36.5
225.00842	8.4
440.93814	9.3
474.99698	9.9
640.75757	10.0
815.50092	41.1
816.50287	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	817.2434
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	11.5
60.01591	0.7
65.00198	0.6
65.03863	1.2
67.29468	0.6
69.03324	1.0
71.00891	1.1
71.01268	12.9
71.36496	1.2
72.99206	3.8
73.02832	3.7
74.31147	0.6
75.00762	1.6
77.03849	0.6
81.03336	1.0
83.01272	1.3
84.02052	0.5
85.02852	5.7
85.99988	0.8
87.00767	3.7
89.02342	8.4
91.01798	1.1
93.03360	8.9
95.01289	2.4
95.04920	2.4
97.02846	1.1
99.00768	1.4
101.02354	9.1
103.03910	1.5
104.02535	0.6
104.22417	0.5
105.03351	2.4
107.04961	0.8
109.02882	5.8
111.00798	0.7
113.02345	4.6
119.01308	1.8
119.03437	3.0
119.04929	0.7
121.02873	8.7
123.00797	1.8
123.04446	12.7
124.01579	0.6
125.02361	2.6
131.03456	3.3
132.02072	0.9
133.02893	12.8
134.03575	1.1
135.04445	18.4
136.04799	1.8
137.02385	23.3
138.02716	0.7
139.03952	4.6
141.01839	1.3
143.03432	1.5
147.00798	3.0
148.01674	2.8
149.02396	17.9
149.06020	0.9
150.03099	2.5
151.03969	3.4
153.01909	0.8
153.05511	2.6
161.02399	28.6
161.04349	2.9
162.02739	1.9
163.00307	1.5
163.06047	1.2
164.01071	2.6
165.01912	12.0
166.02292	0.8
167.03448	4.3
175.00322	4.2
175.03966	1.4
176.01105	1.1
177.01898	18.2
177.05321	0.6
178.02376	1.0
179.03476	11.5
179.05637	1.1
190.99808	0.9
192.00589	4.6
193.01402	100.0
194.01750	5.6
195.02982	2.6
203.03487	4.5
205.05029	0.7
206.08220	0.8
221.04735	0.8
221.06685	3.8
315.11047	1.8
332.53406	0.7
391.53601	0.6
443.11731	0.8
459.15598	1.2
461.16617	3.0
477.16241	2.0
605.20703	3.3
623.22040	27.2
624.22437	3.4
637.20447	0.8
639.21381	4.3
645.45087	0.7
649.20367	1.7
655.21320	1.9
679.20593	0.7
773.25317	1.0
799.22992	5.1
800.24835	1.0
817.24268	14.2
818.24329	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	815.2638
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03317	0.2
59.01255	0.7
63.85386	0.1
69.45213	1.3
71.01276	0.7
73.02836	0.3
78.19939	0.1
80.41902	0.2
81.03354	0.2
82.09032	0.1
83.01237	0.2
85.02845	4.8
87.00791	0.9
89.02345	0.4
93.03368	2.0
96.13608	0.2
98.19705	0.2
99.04438	0.2
101.02339	0.4
103.04552	0.1
109.02858	0.4
111.04431	0.8
125.02380	0.2
127.03944	1.4
133.02875	0.5
135.04483	1.3
143.03435	0.2
155.03516	0.3
161.02396	1.7
171.02957	0.5
173.04462	1.1
179.03496	1.1
188.36850	0.2
191.05586	100.0
192.05934	3.7
315.10947	0.2
320.39713	0.2
353.08844	17.5
354.09186	1.7
461.16766	2.4
562.33929	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.2999
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	3.6
69.42308	0.5
69.42715	0.2
71.01276	0.9
73.02834	0.8
73.21223	0.1
83.01286	0.3
85.02859	0.2
89.02353	0.3
90.40208	0.1
93.03366	0.1
96.95923	0.2
101.02333	0.9
103.89393	0.1
108.02078	0.3
111.00708	0.1
113.02375	0.4
119.03427	0.2
119.04861	0.1
122.03654	0.4
123.04442	0.1
124.01577	0.1
130.04195	0.1
131.04968	0.2
133.02872	0.2
145.02893	0.1
147.04463	1.0
148.05249	1.2
149.06023	100.0
150.06358	4.4
161.02403	0.5
161.04550	0.5
162.02773	0.1
167.07210	0.1
179.03487	0.1
278.57578	0.1
311.77170	0.1
313.16360	0.1
331.17773	0.5
343.00339	0.1
353.12485	12.2
354.12781	1.1
373.18756	0.7
403.39410	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	811.3203
Annotation	Unknow
Peak:m/z	Relative Intensity
58.42655	1.1
59.01256	3.4
61.98719	5.2
71.01272	3.9
71.57594	1.7
73.02856	1.4
78.59487	1.1
85.02862	2.1
87.00793	1.6
88.98703	3.4
93.03362	4.8
96.95906	2.3
101.02357	3.5
103.95725	1.2
105.76744	1.4
107.49230	1.4
109.02854	2.0
109.98775	1.5
113.02367	1.8
119.04952	2.8
119.63733	1.2
121.02901	7.4
122.03667	14.0
125.02351	1.5
126.79875	1.3
132.02098	3.1
133.02898	8.1
134.03618	1.8
135.04460	5.2
136.01598	5.6
137.02397	5.8
145.02930	3.6
146.03688	2.8
147.04482	2.7
149.02402	30.2
149.05984	7.9
150.03180	100.0
151.03958	18.1
160.01634	3.6
161.02388	17.2
161.05968	1.6
163.03889	2.1
164.04762	7.6
164.05989	1.3
165.01894	25.9
165.05530	93.5
166.02502	2.5
166.05864	6.7
175.03918	2.3
177.05533	2.9
179.03438	11.6
179.07065	7.5
180.04253	21.1
181.04871	4.5
191.07108	1.4
194.05797	4.1
195.06612	99.3
196.06958	10.0
197.07072	1.5
203.03363	1.4
205.04961	1.8
207.06554	2.0
209.08154	3.8
210.05382	2.5
211.04085	1.6
211.07687	1.9
225.05746	1.5
225.07710	16.7
226.06203	1.6
226.08182	1.9
240.07910	1.5
242.09462	2.7
251.06918	1.3
257.11865	2.5
258.09052	1.4
267.06570	2.4
268.07425	4.0
269.08008	1.8
270.05624	1.9
270.08990	6.1
283.09833	2.2
284.06992	3.4
284.09955	1.7
285.07874	2.5
285.11392	8.7
286.08508	4.2
295.09918	1.5
296.06873	2.2
297.07730	2.3
298.08441	5.5
299.09186	9.0
300.09882	2.4
301.10849	1.7
309.07556	2.2
310.08395	3.6
311.09064	5.9
312.06491	1.8
312.09717	1.7
313.07315	2.0
313.10815	4.7
314.08002	9.9
323.09167	2.6
324.09808	4.8
325.07022	1.4
325.10590	6.7
326.07840	5.3
326.11331	2.6
327.08783	5.5
328.09375	6.1
328.12982	1.5
329.10367	28.3
330.10886	2.5
338.11777	1.4
339.08783	6.1
339.12402	2.2
340.09198	5.1
341.10315	32.1
342.10986	8.7
343.11755	10.9
344.12677	38.6
345.13123	4.2
355.11624	3.8
356.12759	12.2
357.13290	9.8
358.13956	11.6
359.15030	86.8
360.15350	7.0
369.13507	9.8
370.13828	12.8
371.15009	52.8
372.15231	7.0
373.12952	32.8
374.13339	6.0
375.14209	3.0
389.16003	4.8
389.24460	1.4
421.15158	19.4
422.15588	3.6
423.15512	1.5
443.74231	1.5
464.57864	1.3
537.21582	3.0
567.22449	14.1
568.22864	3.1
613.22900	1.5
615.24579	8.1
616.25043	1.8
694.04480	1.3
715.27679	2.6
733.28314	2.6
738.80853	1.4
763.29706	7.4
811.31415	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	809.3042
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01268	0.8
60.99212	0.5
61.98721	0.6
68.99710	0.6
69.53858	3.4
80.89269	0.4
88.98701	1.7
93.03362	4.0
96.95911	1.1
98.19798	0.9
99.71286	0.4
108.02077	1.1
109.02916	0.7
109.50298	0.4
119.04930	0.4
121.02859	5.0
122.03658	14.9
123.00823	0.9
123.04437	1.5
124.01517	0.4
125.02386	0.8
133.02907	2.5
134.03632	1.0
135.04448	1.4
136.01591	2.6
137.02356	1.2
138.03090	0.4
145.02924	0.4
146.03607	0.8
148.85744	0.5
149.02383	17.9
149.05978	0.8
150.03165	96.8
151.00291	1.3
151.03677	4.0
161.02428	2.2
162.03159	1.3
164.04758	4.4
165.05518	100.0
165.84747	0.5
166.02644	3.6
166.05823	3.9
167.03374	0.5
175.03923	0.5
177.05502	1.2
178.02586	0.5
178.05908	1.0
179.03419	1.3
179.07132	4.6
180.04239	5.7
181.05013	5.3
193.05028	1.5
194.05472	0.9
195.06601	80.0
196.06967	3.3
205.05167	0.7
217.76514	0.4
219.06534	1.1
220.07175	0.8
387.14502	1.3
402.12811	0.6
417.15613	8.8
418.15948	1.2
440.14966	0.5
565.20801	3.3
566.21222	0.7
583.21649	0.5
595.21887	1.1
612.20654	0.7
613.23065	3.9
614.23419	0.7
709.57758	0.4
719.25891	0.5
761.27527	0.6
809.30023	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	815.2635
Annotation	Unknow
Peak:m/z	Relative Intensity
58.38207	0.2
59.01263	0.8
67.05879	0.2
68.98639	0.2
71.01252	0.9
71.57429	0.2
73.02832	0.4
81.03364	0.1
83.04910	0.2
85.02843	5.9
86.03163	0.2
87.00766	1.6
93.03361	2.4
95.12032	0.1
99.04372	0.2
101.02342	0.4
108.02039	0.2
109.02880	0.6
110.57520	0.2
111.04454	1.0
125.02389	0.3
127.03941	1.6
133.02890	0.8
135.04445	2.0
136.04814	0.3
143.03375	0.2
153.01805	0.2
161.02370	1.9
171.02980	0.4
173.04515	1.1
179.03453	0.8
191.05583	100.0
192.05931	4.1
193.05975	0.3
205.07106	0.3
205.09036	0.2
353.08841	15.2
354.09091	1.2
461.16742	1.7
462.17294	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.3053
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01270	0.8
60.99185	0.8
61.98727	2.4
68.99699	0.5
71.01275	0.9
73.02865	0.5
85.02819	0.7
87.00777	0.6
88.98686	4.2
93.03376	1.9
96.95916	1.7
101.02360	0.7
108.02075	0.6
109.02868	1.2
114.70525	0.5
116.92734	0.6
121.02853	3.4
122.03654	6.8
123.00819	0.5
123.04438	0.9
125.02386	0.5
132.02090	1.7
133.02856	2.6
134.03700	1.2
135.04463	1.6
136.01582	3.4
137.02376	5.9
138.03166	0.5
145.02788	0.8
146.03596	1.5
147.04477	0.8
149.02380	16.5
149.06017	1.8
150.03165	44.6
151.03979	3.6
159.04555	0.5
160.01579	4.0
161.02419	5.2
161.05974	0.8
162.02914	1.0
163.03964	1.7
164.01094	0.8
164.04732	4.9
165.01881	24.5
165.05521	46.3
166.02470	1.4
166.05908	1.2
175.03990	3.2
176.04715	0.9
177.01878	1.2
177.05516	2.2
179.03474	8.9
179.07097	6.6
180.04239	17.3
180.07579	0.6
181.04901	2.0
181.41924	0.5
190.06354	3.1
191.05490	0.9
192.04366	0.5
194.05809	2.5
195.06606	64.0
196.05354	0.4
196.06900	2.2
203.07137	0.9
205.05013	1.0
207.06569	0.8
209.06303	0.5
209.08200	1.6
210.05325	2.4
211.06006	0.7
221.06154	0.7
222.05202	3.9
223.07692	0.8
224.04898	0.6
225.05606	0.8
225.07664	16.0
226.08250	0.6
227.07127	1.1
236.04752	0.6
237.05576	1.4
238.06403	2.9
239.07104	1.9
239.10750	0.5
240.07919	2.8
241.05214	0.6
243.06627	1.5
244.07446	1.3
248.04820	0.9
249.05659	0.9
250.06355	1.4
251.07222	1.6
252.07918	0.8
253.05118	1.0
253.08775	1.7
254.05914	0.6
255.06578	1.3
255.10300	2.0
256.07397	1.7
259.06097	0.7
265.05121	1.3
265.08624	0.9
266.05865	1.3
267.06705	3.0
267.09616	0.6
268.07471	13.8
268.10458	0.8
269.04855	0.5
269.07986	1.3
271.06171	0.6
271.09915	0.9
277.05154	1.0
278.05869	1.1
279.06561	3.3
280.07449	4.7
281.05045	0.7
281.08221	2.0
282.05441	0.8
283.06232	2.0
283.09787	12.5
284.06909	3.7
284.10120	1.3
285.07623	1.0
291.06696	0.7
293.04813	1.1
293.08255	2.3
294.05338	1.4
294.08975	1.5
295.06256	2.5
295.09476	0.7
295.48712	0.5
296.06955	7.6
297.07779	4.0
298.08420	1.1
299.09259	6.1
300.09995	1.1
307.06219	1.5
307.09769	0.6
308.06998	9.3
308.10330	0.6
309.07727	10.0
309.11301	0.9
310.08237	1.5
311.05728	2.2
311.09338	5.4
312.06509	13.2
312.10086	1.9
313.06815	1.2
313.10831	1.6
321.07663	2.4
322.08557	4.5
323.09302	20.3
324.06393	6.4
324.10068	11.3
325.07010	1.3
325.10849	2.6
326.08017	3.8
326.11667	1.4
327.08832	33.9
327.12247	2.1
328.09180	3.3
337.11035	3.0
338.11688	5.9
339.08804	53.5
339.12427	6.9
340.09143	5.6
340.12817	1.1
341.10345	4.5
342.11133	38.3
343.11752	8.5
344.12271	0.8
353.10385	2.0
354.11157	16.1
355.11871	3.5
356.12723	2.2
357.13510	97.1
358.13956	7.3
369.13498	100.0
370.13812	7.7
373.12982	26.2
374.13409	2.7
387.14587	1.3
400.16379	0.5
403.14038	1.6
421.15128	15.8
422.15463	1.8
535.19720	1.2
565.20947	10.7
566.21136	1.4
583.21863	0.6
613.22931	6.3
614.23151	0.6
622.18390	0.5
687.59094	0.5
701.25873	0.7
713.26257	2.0
731.27338	0.9
761.28650	3.0
809.31842	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.3049
Annotation	Unknow
Peak:m/z	Relative Intensity
56.59311	0.5
59.01261	1.6
60.99174	1.0
61.98718	6.7
66.07751	0.4
68.99691	0.6
69.70178	2.1
69.70596	1.2
71.01273	1.9
72.99172	0.6
79.86746	0.4
85.02859	0.7
88.98722	4.7
89.02323	1.2
93.03349	2.6
95.01323	0.9
96.95911	1.5
101.02339	1.3
105.03403	0.4
109.02869	1.0
112.16080	0.5
113.02377	0.8
116.92789	1.4
117.29570	0.5
119.03369	0.6
121.02863	3.4
122.03654	7.4
123.04475	1.2
132.02046	1.4
133.02882	10.6
135.04462	3.4
136.01559	1.5
137.02385	3.9
139.00256	0.8
141.01826	0.6
146.03671	1.5
149.02379	13.8
149.05986	0.7
150.03168	52.2
151.03749	2.5
153.05458	0.9
160.01617	3.5
161.02399	22.9
161.06100	0.8
162.02992	0.6
163.03973	1.3
164.01135	1.0
164.04776	3.1
165.01891	26.6
165.05524	51.3
166.02473	0.8
166.05873	2.0
175.03969	1.7
177.01854	1.1
177.05553	2.2
179.03471	8.3
179.07050	4.2
180.04247	22.8
181.04793	1.6
188.04756	0.6
190.06372	2.1
192.04289	0.8
193.01421	0.7
194.05864	2.8
195.06607	74.1
196.06926	3.7
203.07182	0.8
205.04848	0.6
208.03877	0.5
209.08134	1.7
210.05315	3.8
220.07466	1.4
222.05159	3.0
223.07814	0.7
224.06715	1.3
224.08704	0.7
225.07689	26.8
226.08026	1.3
231.14221	0.5
237.05597	1.0
238.06345	1.6
239.07199	0.9
240.07890	1.9
243.06671	1.5
244.07408	0.9
248.04726	0.7
250.06302	0.6
251.06996	1.0
253.05115	0.8
253.08690	0.6
254.05836	0.7
255.06717	0.8
255.10341	1.0
256.07449	0.7
259.05997	0.8
265.05057	0.5
266.06039	0.7
267.06689	2.5
267.09955	0.5
268.07483	10.3
268.10358	0.7
269.04886	0.6
269.07773	1.2
271.09848	0.6
277.05148	0.8
278.05945	0.8
279.06647	2.1
280.07407	3.5
281.04129	0.6
281.07950	0.9
283.06558	0.8
283.09741	8.6
284.06934	3.0
284.10031	0.9
291.06778	0.8
292.07297	0.6
293.08292	1.4
294.05405	1.5
294.08932	1.4
295.06104	1.7
296.06927	4.7
297.07748	2.8
297.10852	0.6
298.08401	0.9
299.09259	4.0
300.09885	1.0
306.05185	0.5
307.06192	1.9
308.07010	5.8
308.10355	0.7
309.07742	7.7
310.08322	1.5
311.05649	1.7
311.09344	4.2
312.06494	10.3
312.09937	1.4
313.06857	1.7
313.10715	1.2
314.08319	0.6
321.07669	1.6
322.08496	4.2
323.09305	15.9
324.06384	4.7
324.10059	9.6
325.06876	1.2
325.10794	1.6
326.08020	2.7
326.11469	0.9
327.08829	27.9
327.12326	2.2
328.09158	2.9
337.10916	1.5
338.11658	5.6
339.08829	43.4
339.12460	6.7
340.09241	5.3
340.13004	0.8
341.10403	4.0
341.14047	0.9
342.11145	32.7
343.11673	6.1
352.49283	0.5
353.10287	1.5
354.11154	12.1
355.11789	3.6
356.12634	2.9
357.13513	85.3
358.13898	8.1
369.13498	100.0
370.13852	12.4
373.13007	9.2
374.13367	0.8
387.14563	1.0
387.72180	0.5
421.15189	5.6
422.15259	0.7
535.19495	1.0
565.20953	13.3
566.21185	2.5
613.23071	8.6
614.23370	1.4
623.20868	0.6
701.25690	1.1
713.26270	1.4
719.26324	1.6
731.27081	1.4
761.27917	4.0
792.27576	0.6
809.24799	3.7
810.26685	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	809.3047
Annotation	Unknow
Peak:m/z	Relative Intensity
57.57710	0.2
59.01294	0.2
69.16240	0.2
70.80733	0.6
81.03356	0.2
88.98717	0.5
93.03358	4.2
94.03693	0.3
95.01291	0.2
95.04939	0.3
105.03364	0.4
108.02094	0.6
109.02875	1.1
121.02868	6.0
122.03656	13.9
123.00836	0.3
123.04413	0.8
124.01582	0.4
124.19200	0.2
125.02393	0.3
132.02061	0.3
133.02899	1.4
134.03664	1.4
135.04448	0.7
136.01602	4.7
137.02374	3.5
137.06184	0.2
138.03143	0.3
139.03932	0.2
145.02910	0.4
146.03670	0.9
147.04414	0.3
148.01622	0.2
149.02385	21.0
149.06012	1.4
150.03166	100.0
151.00325	1.6
151.03955	8.7
152.01077	0.4
152.04616	0.6
153.05522	0.2
154.02670	0.3
159.04616	0.2
161.02382	0.8
161.03561	0.2
161.06059	0.5
162.03189	0.6
163.03976	0.4
164.04735	4.8
165.01912	2.6
165.05522	97.7
166.02682	5.2
166.05838	4.5
167.03371	0.9
171.05986	0.2
173.02504	0.3
175.03996	0.6
177.01910	0.4
177.05493	1.1
178.02704	0.2
179.03551	0.9
179.05504	0.2
179.07097	5.5
180.04240	7.8
180.05780	0.4
180.07343	0.3
181.05026	7.2
184.03668	0.4
187.03955	0.6
190.06277	0.3
191.03539	0.4
192.04277	0.3
193.04994	0.4
195.06604	69.3
196.06955	3.7
205.05092	1.1
207.06677	0.2
219.06636	0.8
220.07426	1.1
225.07646	1.4
226.72871	0.2
292.41962	0.2
297.07675	0.2
300.88226	0.2
309.08328	0.2
329.10373	0.4
357.09769	0.7
357.13608	0.5
372.12158	0.8
373.12952	1.2
386.13623	0.2
387.11002	0.5
387.14758	4.7
388.14993	0.4
402.13281	0.5
403.13937	0.5
412.46890	0.2
416.14740	0.5
417.15579	5.8
418.15762	0.8
421.15317	0.6
471.16626	0.4
535.16083	0.4
564.19946	0.3
565.20874	10.6
566.21393	1.6
583.21735	0.3
595.22015	1.2
596.22174	0.4
613.23059	4.2
614.23224	0.8
619.21716	0.5
667.24207	0.5
713.26764	1.3
714.26556	0.4
725.26117	0.3
743.27454	0.9
744.28076	0.3
761.27948	1.4
762.28198	0.2
791.29199	0.6
809.30347	1.4
810.29901	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.3047
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01270	0.2
60.99186	0.4
61.98711	0.3
62.33360	0.1
65.00203	0.2
67.01770	0.2
69.87225	0.8
71.01286	0.2
77.03891	0.2
81.03357	0.2
88.98698	2.2
93.03361	4.3
95.01283	0.7
95.04909	0.6
96.95918	0.2
105.03371	0.5
107.04927	0.4
108.02076	0.7
109.02876	1.7
111.00778	0.2
119.04960	0.2
120.02039	0.1
121.02873	6.7
122.03660	14.7
123.00845	0.7
123.01584	0.1
123.04536	1.2
124.01594	0.7
125.02402	0.3
132.02110	0.8
133.02870	2.5
134.03670	2.8
135.04471	1.3
135.76657	0.1
136.01593	7.0
137.02385	5.2
137.05997	0.3
138.03090	0.5
139.00285	0.4
139.03889	0.4
145.02904	0.8
146.03676	2.1
147.04459	1.0
148.01584	0.5
149.02386	30.9
149.06012	3.4
150.03166	100.0
151.00333	1.8
151.03955	17.9
152.01086	0.6
152.04768	1.4
153.01852	0.6
153.05510	0.7
154.02652	0.2
159.04419	0.3
160.01636	0.3
161.02425	1.5
161.06015	1.0
162.03186	1.3
162.49316	0.1
163.03935	0.6
164.04738	7.0
165.05522	92.6
166.02666	6.4
166.05832	4.1
167.03452	1.2
173.02344	0.1
173.06044	0.1
175.03944	0.9
176.01079	0.2
176.04709	0.2
177.01866	0.7
177.05510	2.0
178.02649	0.5
179.03474	1.1
179.07097	7.6
180.04243	6.8
180.07532	0.3
181.05031	9.2
182.05362	0.6
183.21492	0.1
184.03743	0.7
187.02437	0.1
187.03937	0.9
188.04659	0.2
189.05435	0.2
190.02707	0.3
190.06311	0.3
191.03433	0.4
191.06998	0.2
192.04216	0.4
193.05017	0.8
194.05843	0.4
195.06606	41.8
196.06958	1.7
202.06244	0.2
203.03458	0.2
204.04274	0.3
205.05046	2.6
206.05788	0.3
207.06612	0.7
219.06618	1.3
220.07387	1.6
221.08130	0.4
225.07678	0.3
230.09029	0.1
235.09758	0.2
279.06821	0.2
282.05414	0.3
297.07626	0.3
309.07742	0.2
314.08008	0.3
315.08722	0.6
325.07169	0.2
327.08966	0.2
329.10349	0.5
332.05136	0.1
339.08655	0.2
341.10541	0.2
343.11722	0.3
355.11880	0.2
357.09842	0.3
357.13770	0.2
369.13602	0.3
371.11176	0.4
372.12115	0.6
373.12967	1.5
385.12952	0.2
386.13849	0.3
387.10718	0.6
387.14844	2.7
388.15253	0.2
402.13123	0.7
403.13861	1.0
416.14847	1.1
417.15637	7.1
418.15802	0.6
421.15042	0.6
457.14969	0.2
459.14490	0.2
471.16791	0.3
489.18234	0.2
491.16943	0.2
505.14996	0.3
535.15228	1.1
536.16418	0.3
547.19604	0.2
549.17828	0.2
550.19141	0.7
551.19275	0.5
563.20099	0.2
564.20001	1.3
565.20880	14.5
566.21179	2.6
577.21027	0.2
583.21722	0.3
595.21936	2.2
596.22003	0.2
612.22162	0.3
613.23022	4.2
614.23682	0.8
619.21912	1.2
620.21899	0.2
667.23987	0.6
668.24689	0.2
713.26160	6.2
714.26343	1.6
719.26385	0.3
719.40411	0.2
725.26025	0.5
743.27216	2.8
744.27405	0.6
755.26544	0.2
761.28333	2.1
762.28693	0.3
773.28314	0.4
791.29742	0.7
792.29492	0.2
809.30505	1.9
810.30573	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.3328
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96145	0.6
57.03320	0.9
58.00481	1.2
59.01266	29.3
61.98719	3.3
69.25193	0.5
71.00895	1.1
71.01273	21.1
72.99182	2.2
73.02822	1.6
80.05011	0.6
83.01300	1.5
85.02843	4.7
87.00795	1.8
89.02340	14.0
89.77973	0.5
94.06549	0.8
95.01276	1.4
96.95897	2.3
99.00761	0.9
101.02347	10.4
105.05743	0.7
106.06556	5.0
107.03663	2.3
112.45301	0.7
113.02362	7.9
119.03432	4.5
119.04926	0.6
120.08110	13.5
121.05218	0.7
122.06042	22.5
123.62872	0.5
125.02361	2.0
132.04500	1.8
133.02905	4.1
134.06053	27.4
135.04474	4.5
135.06409	1.0
136.07597	1.7
139.00317	0.6
142.33665	0.6
143.03386	0.7
145.02902	1.2
149.05977	0.9
150.05569	1.2
151.00307	0.7
152.05983	1.0
152.07124	14.7
158.02394	1.3
160.03888	0.8
161.02403	11.3
161.04504	1.4
162.02765	1.3
164.07047	0.7
165.05473	0.7
172.07628	0.6
174.09195	0.8
177.01936	1.2
179.03455	1.5
179.05679	1.0
190.05090	3.8
192.06728	0.7
203.03502	0.6
211.12344	0.8
221.10818	1.7
223.08772	4.2
224.09531	1.8
225.10309	2.4
235.08682	0.7
235.12477	0.7
236.09523	1.8
237.10374	5.1
238.11070	2.0
239.11943	7.5
241.13423	0.9
243.15099	0.9
244.45149	0.6
245.12953	0.6
249.06723	2.5
249.10291	2.0
250.07385	0.9
251.08287	3.4
251.11916	7.1
252.12492	1.2
259.06174	0.8
261.10385	1.1
263.08337	4.8
263.11951	2.2
264.09106	9.0
265.09882	10.5
265.12979	1.0
266.10355	1.1
267.11230	0.8
269.04565	0.8
269.12897	0.8
271.10849	0.9
276.09070	2.1
277.09933	8.4
278.10547	3.9
279.11447	28.7
280.12067	4.7
281.09888	0.7
281.12988	2.2
283.10754	0.9
285.12408	0.8
291.08218	1.2
291.11435	8.2
292.08911	0.8
292.12134	4.7
293.09940	0.8
293.13052	3.6
294.13821	1.4
295.11276	0.7
305.09387	3.3
306.09924	0.8
307.10880	1.4
311.05762	0.8
314.12637	2.4
323.10437	3.8
324.11224	4.0
325.12115	1.4
326.12732	0.9
336.11154	0.8
337.11987	1.8
338.12674	0.9
342.16052	1.0
355.13281	1.1
356.13971	0.9
356.17883	0.8
358.19458	1.0
360.17145	1.5
365.92822	0.7
369.14474	1.0
370.15793	1.7
371.16562	0.7
372.17059	1.2
382.18558	0.6
384.17316	3.2
385.18033	1.1
386.18753	1.7
387.19388	0.9
398.19165	0.9
399.19754	1.1
400.16507	1.2
401.21335	0.9
402.18198	2.4
412.16580	1.0
414.18353	1.6
426.18402	2.5
430.17657	1.7
440.16348	0.7
442.18109	0.8
443.18915	0.8
444.19254	3.2
445.20139	1.7
453.17117	0.7
454.17938	0.8
458.16913	0.9
459.18097	0.8
460.18945	1.2
462.20297	3.2
470.17282	1.2
471.17993	2.1
472.18765	3.1
473.19403	2.4
488.18289	1.7
489.18912	1.5
490.19983	6.7
520.20935	2.4
532.20551	1.1
562.22308	0.8
564.23004	1.1
567.26099	0.9
593.24384	0.9
606.25024	2.9
610.23932	1.5
611.25256	6.6
623.24921	1.1
632.22168	0.8
643.27991	12.6
644.28113	2.0
650.23590	8.5
651.24341	10.3
652.24500	1.0
682.26257	13.2
683.26697	2.9
685.28735	4.0
729.31647	1.0
773.30597	100.0
774.30902	21.5
774.45270	1.2
805.33264	64.0
806.33728	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	805.2945
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03341	1.3
57.23639	0.3
58.00482	5.6
59.01264	100.0
60.01599	1.1
60.21825	0.3
61.98724	0.8
67.01765	0.4
69.44167	3.2
71.01270	78.6
72.01602	1.2
72.99198	6.5
73.02832	1.6
75.00775	0.6
83.01273	2.9
85.02345	0.7
85.02845	12.4
87.00763	4.2
89.02338	97.6
90.02672	1.3
93.03381	0.6
93.99885	0.3
95.01286	5.3
96.95905	0.4
97.02848	0.7
98.19702	0.5
99.00760	0.5
101.02346	32.9
102.02699	0.8
109.02837	0.4
113.02357	28.9
114.02699	0.8
119.03419	35.3
120.03733	0.5
121.02818	0.6
122.03638	1.2
123.00782	0.7
123.04478	0.5
125.02346	1.0
131.03418	4.6
133.02919	2.6
135.04385	1.4
136.01505	0.5
137.02335	1.1
138.03156	0.4
143.03433	8.2
147.04437	1.6
149.02339	1.6
149.04504	3.3
150.02148	0.5
150.03189	6.2
151.00291	3.0
151.03877	1.3
153.01834	0.7
153.05449	0.7
159.04459	0.8
160.01578	0.6
161.02432	6.9
161.04491	7.6
165.01846	0.8
165.04286	0.5
165.05533	5.0
166.02663	7.2
167.03130	0.4
168.04184	0.7
175.03999	2.3
176.01048	1.1
176.04683	0.5
177.01808	1.6
177.05389	0.5
178.02663	0.5
179.03432	2.0
179.05566	24.6
180.04204	0.5
180.05820	0.5
181.05022	12.9
182.05321	0.5
187.03966	0.7
191.03433	1.4
191.05499	1.1
192.04253	3.1
193.04961	1.2
194.05800	0.9
195.06627	4.0
203.03477	11.2
204.04013	0.5
205.04948	1.1
207.06606	4.3
209.08089	1.4
217.05095	0.5
218.03876	0.6
218.05844	9.5
219.06345	1.1
223.06061	1.3
225.07532	0.4
233.08208	16.6
234.08354	1.5
251.09271	0.5
385.12885	0.4
415.13757	0.8
416.14917	5.4
417.15076	1.6
441.84842	0.5
447.16431	0.7
477.13196	0.5
517.44336	0.4
542.83118	0.4
595.21936	3.5
596.21790	0.8
611.21295	2.6
612.21356	0.5
626.50519	0.4
639.65894	0.4
643.22961	0.7
651.14978	0.4
761.25800	0.5
762.25458	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.2946
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	2.3
67.01784	0.9
71.01285	1.9
89.02358	1.0
92.96529	0.7
93.03373	0.7
94.76608	0.5
100.74810	0.6
101.02338	1.5
109.02863	3.6
113.02368	0.9
123.00819	1.3
133.02892	1.6
135.04459	2.3
136.01649	1.6
137.02377	24.3
138.02824	0.8
139.03928	0.8
145.02975	0.7
149.02408	1.2
150.03180	2.4
151.00288	6.6
151.03966	5.1
152.01103	1.4
152.04703	2.3
153.01862	1.0
153.05286	0.7
161.02353	7.5
162.03009	1.0
163.04012	1.4
164.01071	1.8
164.04701	1.0
165.01888	100.0
165.05522	4.1
166.02673	20.4
167.03442	3.0
169.07806	0.6
175.03955	2.2
177.01894	1.6
177.05569	1.6
178.02625	1.2
179.03465	23.4
179.06982	1.2
180.04248	68.2
181.05031	31.1
182.05394	1.5
184.03703	0.9
187.03958	2.5
190.02551	0.8
190.06488	1.0
192.04298	0.7
193.05028	1.8
194.05783	4.8
195.03047	3.0
195.06609	80.1
196.06908	3.7
203.03534	0.8
204.04184	0.6
205.05037	5.4
207.06619	1.8
209.08157	1.2
210.05331	12.1
211.05847	0.8
219.06633	0.8
220.07373	3.5
221.08064	0.8
225.07697	56.4
226.08035	3.5
295.06171	0.9
310.08685	1.0
325.11066	0.9
345.09692	1.1
359.11389	1.5
371.11172	1.5
372.12378	0.9
385.12845	0.7
387.10147	3.5
387.15390	3.7
388.11111	0.9
402.13321	3.8
403.13934	2.8
416.14847	3.2
417.15652	46.2
418.15976	6.1
535.15643	0.6
565.19867	2.8
580.19366	1.7
595.22003	52.0
596.22284	9.7
613.23358	1.0
625.22900	1.6
643.24054	35.4
644.24530	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	804.3964
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01261	0.8
61.98718	100.0
68.46354	0.3
70.23009	0.3
71.01270	0.7
71.56800	0.5
71.57154	0.5
74.63412	0.3
82.16272	0.4
86.77386	0.4
97.02863	0.5
103.01669	0.4
109.06485	2.0
129.44208	0.4
154.30795	0.4
163.11241	1.3
201.43591	0.3
204.08832	0.4
207.10248	7.0
208.10678	0.6
209.11815	0.5
225.11356	2.4
241.85109	0.3
253.09401	1.2
277.21786	6.4
278.22174	0.4
461.20477	0.9
494.48309	0.4
525.80725	0.4
577.43237	0.4
721.41693	3.0
722.42761	6.1
723.43195	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	804.3963
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01269	0.5
61.98717	100.0
63.99135	0.4
69.88540	0.9
69.88969	1.3
71.01295	0.7
97.02881	0.5
103.07935	0.3
107.35544	0.3
109.06533	1.1
116.92838	0.3
118.58681	0.4
120.18793	0.4
131.40459	0.4
163.11295	0.4
182.78360	0.3
207.10277	5.2
208.10564	0.5
225.11252	1.8
235.08281	0.5
253.09395	1.3
271.07401	0.4
274.21530	0.3
277.21793	11.4
278.22186	0.9
492.47742	0.4
501.20419	0.4
563.01398	0.4
721.41962	2.7
722.42456	6.6
723.43420	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	803.3727
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03336	0.4
58.00473	0.1
59.01264	100.0
60.01599	0.9
63.53805	0.1
69.03325	0.2
69.74368	0.6
69.74775	0.3
71.01269	8.4
72.99190	0.2
73.02839	3.0
83.01282	1.0
85.02843	3.5
87.00780	0.3
89.02338	2.1
95.01301	0.5
96.95906	0.1
97.02888	0.2
99.00775	1.3
99.79643	0.1
101.02347	6.5
102.02741	0.2
113.02358	4.2
119.03383	0.7
125.02373	0.2
141.39597	0.1
142.75461	0.1
143.03455	0.5
149.04530	0.3
159.02946	1.1
161.04492	4.9
161.05830	0.2
162.04916	0.2
171.47009	0.2
203.05702	0.2
210.74013	0.2
315.18188	11.8
316.18344	0.9
357.19241	7.3
358.19717	0.8
359.17105	0.1
401.18488	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.1857
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01273	2.1
59.01537	0.4
61.98717	100.0
65.00222	1.0
71.59415	0.6
73.02839	0.6
74.94806	0.4
83.01276	0.5
85.02846	0.5
87.00797	0.5
89.02335	1.2
93.03353	0.5
96.95927	1.7
101.02340	1.4
107.01308	1.4
109.02852	0.5
113.02362	0.7
117.03363	2.6
119.04913	2.1
121.02850	0.7
123.04452	1.0
125.02393	0.9
128.44876	0.4
132.02129	1.3
133.02887	5.9
134.03767	0.4
135.00774	0.7
135.04433	3.4
145.02884	5.9
148.41493	0.4
150.03250	0.5
151.00294	3.2
151.03946	0.6
153.01933	0.7
153.05400	0.7
159.04362	0.5
161.02390	13.3
162.02779	2.3
162.58531	0.4
163.00346	1.4
163.04008	1.3
166.02634	0.6
169.01411	0.8
176.01083	0.5
177.01938	0.7
178.99861	1.1
179.03455	1.3
183.04514	0.8
187.03944	0.9
191.03667	0.5
191.05609	1.4
192.04277	0.5
193.05116	0.6
199.04004	0.6
200.04776	0.6
207.06656	1.1
211.04005	1.8
212.04677	0.5
223.06044	1.5
227.03502	35.9
228.03854	2.6
229.05089	1.5
239.03587	0.9
250.02550	0.4
255.03026	68.9
256.03613	9.1
257.04446	1.5
283.02530	1.5
284.03326	99.7
285.03928	15.4
286.04355	0.6
328.39648	0.5
593.15375	0.9
610.24463	0.4
621.18219	0.5
622.18640	1.1
623.20056	0.6
624.20068	0.7
641.22290	1.3
739.18988	95.0
740.19287	19.4
770.24048	1.8
801.25665	0.6
802.26642	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	803.2423
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00483	0.5
59.01266	8.0
65.03820	0.5
71.01267	6.0
71.60265	0.9
72.99200	1.1
73.02843	2.2
83.01263	0.8
85.02846	3.1
85.03324	0.5
87.00764	2.5
87.04434	0.5
89.02337	4.1
89.03873	0.8
91.05418	0.5
93.03367	1.4
94.03692	0.6
101.02351	3.9
103.03912	1.4
105.03378	0.6
107.04939	1.8
108.02079	3.9
109.02869	1.0
113.02383	2.5
115.03916	1.5
117.03374	4.0
119.03404	2.6
119.04967	0.8
119.60406	0.4
121.02879	1.0
123.04436	2.4
131.03432	1.8
132.02097	1.8
133.01857	1.2
133.02885	34.7
134.03723	5.0
135.04453	87.4
136.04774	3.2
143.03406	2.5
145.02882	1.9
147.04488	1.2
149.06094	0.7
151.03972	4.4
153.05469	1.1
161.02400	100.0
162.02753	5.8
162.10101	0.5
163.03970	3.3
163.06094	1.3
175.03964	1.5
177.05522	0.7
179.01868	0.9
179.03465	17.6
180.03806	0.6
203.03467	1.1
205.01407	2.7
205.07201	2.3
219.02939	1.6
221.04468	0.7
266.45636	0.5
297.07596	1.0
298.18246	0.5
315.11069	5.0
316.11093	0.6
341.06665	3.7
461.16794	5.7
462.16943	0.6
529.44910	0.5
607.20465	0.8
623.09851	0.7
623.19891	15.6
624.20142	2.4
641.21069	19.6
642.21210	3.3
785.23309	8.3
786.22723	2.3
803.24188	33.1
804.24664	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	801.2476
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	0.5
59.01265	7.6
60.97676	0.3
66.46774	0.4
69.03320	0.6
71.01266	9.3
72.99202	1.1
73.02840	3.5
75.00752	0.5
78.40115	0.3
81.03368	0.6
83.01284	0.7
85.02847	3.5
85.99988	0.5
87.00775	3.3
87.04417	0.4
88.77396	0.3
89.02348	6.3
90.02684	0.3
93.03354	2.2
95.01286	0.8
95.04922	0.7
97.02862	0.9
98.19759	0.8
99.00787	1.1
100.65014	0.3
101.02354	7.2
103.03905	0.6
104.02584	0.7
104.05714	0.3
105.03386	2.9
107.04964	1.7
109.02868	0.7
111.00856	0.4
113.02369	3.6
115.03990	0.4
119.01265	0.3
119.03410	2.2
121.02874	3.0
123.04443	17.4
124.01557	0.4
124.04789	0.6
125.02354	1.6
129.01837	0.3
131.03419	2.7
132.02119	1.3
133.02885	21.1
134.03275	1.0
135.03415	0.6
135.04446	11.7
136.04797	1.3
137.02377	2.7
139.03941	2.1
141.01933	0.4
141.09932	0.3
143.03435	1.0
147.00824	0.6
148.01572	1.0
149.02383	8.4
149.06079	0.3
150.03120	0.8
151.03958	5.2
153.05573	1.8
154.05833	0.3
159.02946	0.4
161.02391	26.5
161.04384	3.2
162.02754	2.6
163.06100	0.6
175.03825	0.7
176.01111	2.9
177.01894	100.0
178.02234	6.3
179.02058	0.4
179.03467	6.0
179.05557	0.8
180.03801	1.1
193.01402	0.7
195.02982	4.0
196.03419	0.5
197.22792	0.3
203.03485	2.4
204.03789	0.6
221.06654	3.8
231.66870	0.4
265.33463	0.4
298.75681	0.3
315.11005	1.1
344.88510	0.4
443.11755	0.7
459.15067	0.4
461.16742	0.9
466.56171	0.3
477.15936	1.8
506.14948	0.6
528.47058	0.4
605.20844	2.3
621.19727	0.6
623.22028	26.5
624.22375	5.1
625.21759	0.6
639.21161	2.6
641.20648	0.5
649.20520	0.8
651.20477	0.5
757.24561	0.5
783.23553	0.6
801.24640	30.7
802.25134	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	803.3167
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00481	0.8
59.01266	23.4
61.98701	2.4
62.30391	0.6
69.78921	4.7
71.01276	12.3
72.99206	1.1
73.02813	1.2
79.04154	0.7
80.04945	2.8
81.28751	0.6
81.81196	0.6
83.01254	1.2
85.02834	3.1
89.02340	9.1
94.06512	1.4
96.95943	4.1
98.20522	1.4
101.02342	6.7
102.52610	0.6
104.04996	0.9
105.70991	0.7
106.06541	4.8
107.03677	1.6
113.02357	3.4
119.03425	2.4
120.04477	1.1
120.08109	1.4
121.05256	2.1
122.06035	13.4
125.02377	1.6
132.04468	3.1
133.02864	2.5
134.06050	23.0
135.04431	2.7
135.06375	1.2
139.02682	1.1
145.02933	0.8
148.04013	1.1
149.06000	1.3
152.07109	13.9
154.39018	0.7
160.03972	0.7
160.06369	3.8
161.02423	5.9
161.04689	0.8
162.02849	0.7
174.05507	2.2
179.03473	1.0
190.05087	3.1
192.06581	1.0
213.10335	18.3
214.10579	1.4
223.08696	1.6
225.10384	1.4
226.11073	1.3
227.11800	1.2
228.45085	0.7
237.10275	1.0
239.11916	12.0
241.13513	9.6
245.12953	1.6
251.11974	2.9
263.08267	0.9
265.09967	1.3
267.11356	3.8
277.09894	1.6
285.12521	29.4
286.12811	1.8
293.13141	3.8
295.10913	1.9
305.09299	2.3
307.10965	0.7
313.12067	1.4
314.12787	1.8
316.14670	1.4
323.10303	1.3
325.11905	0.8
327.13641	0.8
328.10944	2.0
328.14664	1.0
330.12439	0.9
330.16211	0.9
332.17532	0.9
337.12134	1.7
340.11053	1.0
340.14655	5.1
341.11282	1.0
341.15143	0.9
342.12564	2.0
343.13272	2.6
344.13858	1.8
354.12479	0.8
355.13171	2.2
356.14001	2.5
356.17990	0.9
357.14655	1.6
358.15695	8.9
359.16211	1.8
368.10135	1.2
368.14380	1.0
370.15656	1.5
372.17273	1.6
382.15680	1.0
384.13272	5.3
384.17679	1.7
385.13885	1.3
396.13474	1.3
397.14197	1.8
398.15216	4.2
399.15543	1.6
400.16751	10.2
401.17258	0.8
410.15387	0.9
412.16849	7.6
426.14606	2.3
438.14630	1.0
444.15698	2.4
456.16220	1.0
475.17422	1.1
517.18036	1.2
518.18988	1.2
545.22369	0.9
563.22821	0.9
565.24524	6.8
567.22552	0.8
591.22595	5.7
609.23657	19.0
610.24194	2.9
623.25879	1.2
641.26355	24.9
641.37146	1.3
642.26373	6.0
683.27417	4.8
727.29663	4.1
728.29871	0.9
743.29913	2.1
753.27203	1.6
771.29004	100.0
772.29199	23.7
803.31348	25.7
804.32349	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	793.2581
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01773	0.1
59.01264	2.2
60.99191	0.1
71.01276	1.6
73.02840	4.0
73.03252	0.2
83.01279	0.8
85.02852	0.5
87.00776	0.3
88.98708	0.5
96.95918	0.4
98.20570	0.3
99.00784	0.7
101.02348	2.4
105.07025	0.2
106.04170	0.5
113.02351	0.3
121.02908	0.2
123.04456	0.7
125.02422	0.2
131.04945	0.8
132.05757	1.7
133.06523	100.0
134.06851	4.3
143.03438	0.5
147.04495	0.3
148.05241	26.6
149.05588	1.3
161.02370	0.3
161.04492	2.6
163.07599	27.9
164.07948	1.3
188.97798	0.1
203.05586	1.5
217.08669	0.4
229.68307	0.1
249.75044	0.1
250.70079	0.1
295.11871	0.3
337.13010	3.3
337.16928	0.2
338.13278	0.3
367.14255	0.4
553.75281	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.4257
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	0.2
61.98718	100.0
62.98427	0.2
69.66256	0.1
70.82619	0.3
71.01274	0.7
74.04391	0.1
75.00785	0.2
78.95810	0.4
80.96401	0.2
87.00790	0.1
89.31361	0.1
96.04467	0.3
101.02402	0.1
145.02975	0.1
150.72177	0.1
161.04532	0.1
168.10297	0.4
178.12349	0.2
196.13486	0.2
201.11351	0.4
204.10359	0.3
209.11888	0.4
210.06944	0.1
222.11353	1.7
235.08157	0.5
240.12373	0.2
241.01303	0.2
253.09352	0.4
255.23448	0.3
277.21814	3.2
278.22153	0.3
352.67371	0.1
458.20572	0.2
476.21735	0.1
513.30865	0.1
619.97992	0.1
735.50604	0.1
736.42969	3.9
737.43573	1.0
746.57562	0.1
799.42035	0.6
800.42529	0.1
812.82410	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	800.446
Annotation	Unknow
Peak:m/z	Relative Intensity
57.92926	0.1
61.33894	0.1
61.98716	100.0
62.98433	0.2
69.38719	0.4
69.39140	1.1
109.06522	0.2
122.12156	0.1
150.21112	0.2
150.68379	0.1
176.99156	0.2
207.10298	0.3
208.97865	0.2
226.10788	0.4
277.21860	0.4
339.19943	0.2
357.78030	0.2
462.19910	0.2
602.86267	0.2
721.40802	0.2
722.41119	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.2472
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03331	0.4
58.00496	0.3
59.01267	9.1
68.99741	0.3
69.03343	0.5
71.01273	9.7
71.44756	0.5
72.01610	0.5
72.99205	1.0
73.02844	3.1
75.00754	0.4
77.03830	0.4
78.00777	0.2
81.03355	0.4
83.01284	0.7
85.02845	3.2
85.43470	0.2
85.99997	0.5
87.00773	3.2
87.04419	0.5
89.02365	6.8
91.01795	0.3
93.03340	1.9
95.01282	0.7
95.04932	0.6
96.81173	0.2
97.02854	0.6
99.00754	1.1
101.02346	8.2
102.02686	0.3
103.03941	1.1
104.02581	0.5
105.03375	3.1
107.04928	1.9
109.02859	0.7
113.02353	3.6
115.03938	0.5
117.03389	0.4
119.01291	0.4
119.03419	2.4
119.04938	0.4
121.02860	2.6
123.00835	0.4
123.04442	20.7
123.60926	0.2
124.01626	0.5
124.04794	0.7
125.02375	1.5
131.03439	3.1
132.02087	1.0
133.02884	20.0
134.03278	1.1
135.04448	12.9
136.04793	1.1
137.02351	3.0
139.03944	1.8
143.03389	1.3
147.00850	0.7
147.04492	0.3
148.01646	1.2
149.02390	8.1
149.06006	0.2
150.02940	0.9
151.03944	5.6
153.05531	1.9
159.02924	0.6
161.02397	28.9
161.04373	3.0
162.02725	1.9
163.02864	0.3
163.06070	0.8
164.07047	0.2
165.01820	0.4
167.03423	0.3
175.00333	0.3
175.03951	0.7
176.01091	2.8
177.01892	100.0
178.02237	5.9
179.03493	6.7
179.05545	0.9
180.03827	0.8
180.05983	0.2
192.00525	0.3
193.01411	0.7
195.02975	3.0
196.03320	0.2
203.03513	1.9
204.03757	0.4
205.07135	0.4
206.08081	0.3
221.04524	0.4
221.06638	3.7
233.06648	0.3
281.13235	0.2
297.09787	0.2
315.10754	1.1
461.16632	1.0
475.14633	0.3
477.16180	1.9
493.68738	0.3
605.20923	2.0
606.20941	0.3
621.20868	0.3
623.21973	20.7
624.22357	3.6
625.22736	0.5
626.51605	0.3
639.21191	1.8
640.21350	0.5
641.20697	0.3
649.20239	0.3
678.19415	0.3
757.25189	0.6
773.24872	0.4
783.23022	0.3
801.24701	24.0
802.25043	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	789.2991
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03351	0.3
59.01263	7.8
61.98720	0.7
66.71210	0.3
69.86947	0.5
69.87241	1.7
71.01275	7.2
72.99200	0.3
73.02842	0.9
77.08385	0.3
81.03362	0.3
83.01274	0.5
83.61813	0.3
84.02075	0.6
85.02860	1.7
87.00770	0.6
89.02342	9.0
89.02905	0.5
93.03386	0.4
95.01270	1.4
96.95892	0.6
99.00776	0.4
101.02348	4.1
109.02882	2.3
111.00732	0.3
113.02367	3.0
117.03339	2.1
119.03427	4.3
119.04906	0.3
121.02846	0.9
123.00796	2.9
123.04437	0.6
124.01598	1.1
125.02362	1.5
130.03905	0.3
131.03423	0.6
133.02902	1.4
135.04439	1.2
137.02370	10.8
137.99500	0.3
138.03192	0.7
139.00345	1.1
139.03934	2.8
143.03452	1.0
145.02887	4.0
146.03357	0.4
147.04477	0.7
149.02364	1.5
149.04539	0.4
149.05995	0.8
150.03186	0.7
151.00308	26.5
151.03929	2.2
151.56119	0.3
152.01044	2.4
152.04712	2.4
153.01842	1.2
153.05507	0.7
154.02681	0.4
159.04436	1.1
160.01566	0.3
160.05212	0.5
161.02415	2.9
161.04475	1.4
161.05727	0.3
162.02921	0.4
163.03906	1.5
164.04756	0.6
165.01871	1.2
165.05598	0.4
166.02670	84.4
167.03217	5.9
168.04243	0.4
173.02434	1.1
175.03944	2.6
176.01080	0.3
176.04680	0.6
177.01900	3.9
177.05530	0.9
178.02611	1.0
179.03510	1.6
179.05582	4.0
179.07069	0.8
181.05029	100.0
181.18896	0.4
182.05365	5.2
184.03725	1.2
187.03966	1.6
187.07610	0.4
188.04668	0.5
189.05486	0.7
190.02695	0.8
190.06303	1.8
191.03462	3.7
192.04230	1.7
193.05043	1.6
195.02962	1.3
202.06302	0.4
203.03558	0.7
203.07053	0.6
204.04207	0.7
205.05043	5.0
205.08676	1.6
206.05788	3.1
207.06564	1.8
209.04573	0.5
209.08258	0.8
217.04968	0.4
218.05847	0.6
219.06566	1.1
220.07404	2.6
221.04688	0.5
221.08202	5.4
222.08566	0.3
223.05913	0.3
224.03282	0.3
233.08220	0.5
235.06105	0.3
235.09892	0.7
297.03970	0.3
301.07306	0.4
311.09012	0.4
312.06467	0.6
314.07980	0.6
316.09726	0.5
324.06384	0.8
327.08810	0.8
329.10306	0.8
339.08743	1.9
342.07364	0.5
344.09225	0.4
354.11163	1.1
356.12653	0.5
357.09671	1.3
357.13638	0.4
359.11423	3.1
369.09528	0.5
369.13815	0.4
371.14001	0.9
372.08127	0.2
372.12213	4.8
373.12674	0.9
384.12289	0.4
387.10806	14.5
387.14728	16.3
388.10519	1.7
388.15656	1.8
399.14639	2.3
401.11783	0.5
401.16489	0.6
402.13290	13.1
403.13962	2.0
417.15625	80.6
418.15952	9.0
431.16904	0.7
597.23608	6.2
598.23944	1.1
599.23480	0.8
609.23303	1.0
627.24603	39.2
628.25000	7.4
745.27185	1.1
746.27771	0.4
789.29944	2.6
790.30548	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.2987
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03334	0.5
58.48412	0.4
59.01268	7.4
61.98700	2.0
63.92900	0.3
69.03339	0.4
69.03813	0.3
71.01270	6.1
72.99205	0.8
73.02839	2.3
83.01302	1.0
83.04919	0.6
85.02855	2.4
87.00750	1.9
87.04417	0.7
89.02350	3.7
96.95911	1.3
97.02862	0.7
101.02348	4.5
103.03928	0.7
105.03387	0.5
109.83456	0.4
110.14793	0.3
112.86343	0.4
113.02360	2.3
115.03940	0.6
117.03399	1.3
119.03420	1.4
121.02870	0.5
123.04437	1.6
125.02387	0.9
131.03421	1.4
132.02080	3.0
133.02885	42.4
134.03200	1.0
135.04456	14.8
136.04836	0.6
137.02388	0.7
143.03427	2.1
145.02911	1.5
149.06024	0.9
151.04007	0.5
153.05469	0.5
161.02393	100.0
162.02719	4.5
163.03947	0.7
163.06065	0.6
164.04781	0.7
165.09119	0.6
171.10265	1.9
174.59018	0.4
175.03946	0.5
177.01872	0.5
179.03436	4.5
179.07100	0.7
183.10255	1.5
205.07155	1.3
209.11819	7.8
225.11284	0.5
227.12845	1.3
229.14516	0.8
229.21829	0.4
235.08188	0.9
248.05278	0.4
253.09370	1.4
270.03607	0.4
285.03915	0.4
297.09680	1.0
311.12799	0.4
315.10910	4.3
325.20300	0.4
327.21866	0.5
332.49976	0.4
343.21204	4.6
349.08392	0.4
372.34982	0.5
372.75610	0.4
376.07535	0.4
443.15680	0.4
461.16647	5.4
462.16586	0.8
538.69507	0.4
623.20013	1.2
627.26758	4.7
627.40967	1.4
628.27045	0.8
701.10425	0.4
789.29889	43.0
790.30188	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	791.4374
Annotation	Unknow
Peak:m/z	Relative Intensity
57.22039	6.6
61.98720	14.9
62.25013	6.6
73.65773	7.6
91.87936	6.8
98.20576	17.3
121.23299	6.9
157.10172	7.9
163.66917	8.2
209.11835	100.0
227.12878	16.6
229.45302	11.0
253.09261	8.5
265.23898	7.1
277.21780	94.2
278.21881	9.4
328.25067	8.0
343.49960	8.7
350.69162	7.0
371.25702	10.1
681.70996	8.4
781.19464	9.0
791.44073	35.6
792.43774	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	790.4317
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	0.3
61.98720	0.2
78.95791	6.4
98.19787	0.5
115.42230	0.1
122.00082	0.2
135.04424	0.2
135.78845	0.1
140.01118	1.8
152.99474	0.8
171.00517	0.2
185.79404	0.1
196.03804	0.8
203.96342	0.2
214.04848	2.8
261.22305	0.4
279.23340	100.0
279.56671	0.1
280.23688	7.8
296.16766	0.1
313.14438	0.3
318.37329	0.2
342.30527	0.1
436.23502	0.1
476.27911	49.5
477.28290	5.0
477.34286	0.1
633.95807	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.2994
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01270	7.1
61.98718	3.4
71.01264	5.6
71.58231	0.8
72.99223	0.6
73.02843	1.9
76.17328	0.6
82.95311	0.9
83.02408	1.7
85.02857	1.8
87.00776	1.1
88.98695	0.6
89.02356	3.6
96.95937	2.6
97.02857	0.6
99.00780	0.6
101.02337	3.5
113.02376	2.2
116.92808	0.7
117.03380	1.2
119.03407	2.6
119.04938	0.6
119.81400	0.7
123.04443	2.2
123.76586	0.6
125.02365	1.7
131.03548	0.7
132.02118	2.6
133.02885	47.0
134.03259	1.2
135.04453	19.7
143.03416	1.0
145.02887	3.2
149.06030	1.6
161.02397	100.0
161.58205	0.5
162.02727	5.8
163.03964	2.2
165.98157	0.5
171.10260	1.0
179.03433	1.9
181.05096	0.6
183.10240	3.0
197.11920	1.1
209.11798	1.5
249.07742	1.0
261.07742	1.0
297.09885	0.8
315.10953	5.6
461.16797	2.5
487.14758	2.0
623.20190	1.3
627.26642	2.8
653.24677	3.6
775.62512	0.6
789.29871	45.2
790.30389	9.6
823.25000	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.4301
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98717	100.0
62.98418	0.1
71.21484	0.1
82.72977	0.1
88.00317	0.4
100.09241	0.1
115.92653	0.1
192.30295	0.1
209.11841	0.4
210.12279	0.2
211.12396	0.1
227.12883	0.5
228.13330	0.1
243.09483	0.1
246.77547	0.1
277.21841	0.4
278.22202	0.3
394.15945	0.1
398.21078	0.1
413.96899	0.1
430.94815	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.4302
Annotation	Unknow
Peak:m/z	Relative Intensity
57.75514	0.1
61.98717	100.0
62.98413	0.1
69.47571	0.6
71.01276	0.1
80.96404	0.1
82.86158	0.1
90.96339	0.1
98.19851	0.1
209.11839	1.1
210.12189	0.7
211.12389	0.3
227.12927	0.2
277.21832	0.4
277.36734	0.1
278.22101	0.5
278.24811	0.1
279.22510	0.3
342.86728	0.1
473.27487	0.1
778.78485	0.1
787.39941	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.4304
Annotation	Unknow
Peak:m/z	Relative Intensity
55.76136	0.1
59.01267	0.1
61.98717	100.0
62.98420	0.1
69.71354	0.1
69.71755	0.3
71.01303	0.1
71.17258	0.1
77.12020	0.1
134.07320	0.1
152.03282	0.1
177.42281	0.1
209.11790	0.7
210.12190	0.6
211.12431	0.2
221.18652	0.1
227.12915	0.1
235.08458	0.1
253.09393	0.1
277.21783	0.8
278.22141	1.0
279.22476	0.4
280.22772	0.2
294.47479	0.1
403.13171	0.1
506.75491	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.4303
Annotation	Unknow
Peak:m/z	Relative Intensity
56.20935	0.1
61.98717	100.0
62.98413	0.2
69.53687	0.1
69.54095	0.5
88.00292	0.4
98.19832	0.2
100.38511	0.1
130.67783	0.1
137.16165	0.1
154.98125	0.1
172.24112	0.1
202.67276	0.1
209.11818	0.1
210.12015	0.1
226.01202	0.1
227.12923	0.3
235.08188	0.1
264.42191	0.1
269.44263	0.1
277.21823	0.5
278.22098	0.2
278.68225	0.1
279.22406	0.1
575.34583	0.1
649.72925	0.1
710.86676	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	787.2469
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03309	0.8
58.54752	0.7
59.01269	15.2
71.01276	10.5
71.58292	1.0
72.99207	1.4
73.02844	3.8
81.03368	0.7
85.02861	3.1
87.00764	3.4
87.04422	1.0
89.02341	7.5
93.03358	1.4
96.95909	2.1
101.02348	8.8
102.02684	0.7
103.03891	1.5
107.04932	1.1
109.02884	2.1
113.02375	4.2
115.03957	1.1
117.03387	11.3
119.03535	4.5
119.04948	25.3
120.05241	1.0
123.04458	2.1
125.02357	1.4
131.03467	2.4
132.02087	2.1
133.01852	0.9
133.02890	36.5
134.03740	5.9
135.04457	76.3
136.04790	3.1
137.02364	1.6
143.03453	4.2
145.02899	36.9
146.03253	1.3
147.04477	1.3
149.05972	1.2
149.47638	0.8
151.00349	1.2
153.05528	1.4
161.02400	100.0
162.02722	6.3
163.02913	0.7
163.04002	6.9
163.06091	1.2
175.03952	2.2
177.01915	1.1
177.05489	1.1
179.03477	13.1
179.05595	1.8
187.04071	1.4
191.05746	0.8
203.03503	1.5
205.07191	2.2
219.02907	1.0
255.06712	0.9
297.07660	1.2
315.10992	7.6
316.11307	0.9
325.07190	0.8
341.06689	0.9
449.27753	1.0
461.16815	8.2
607.20453	8.5
608.20721	2.0
623.20001	12.3
624.20343	4.3
625.21344	25.9
626.21747	4.1
641.20959	8.3
642.21619	1.4
664.13568	0.8
743.25012	0.9
769.23633	16.4
770.23798	4.1
787.24622	41.1
788.24652	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	787.3217
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03251	0.9
59.01147	13.3
59.01487	4.5
61.98596	2.9
71.01141	16.8
71.01580	3.9
71.58070	1.3
72.99070	1.8
72.99445	0.9
73.02705	3.6
77.19862	0.7
83.01116	2.3
85.02692	5.7
85.03249	1.0
87.00630	2.6
89.02191	5.3
94.06419	1.7
95.01184	1.5
96.95766	3.2
99.00642	1.8
101.02187	5.7
104.66654	0.8
106.06361	5.7
107.03590	1.7
113.02174	6.5
119.03268	1.6
120.04379	0.7
120.07932	2.7
120.08649	0.7
121.05175	1.2
122.05847	19.3
125.02255	0.8
131.03302	0.7
132.04355	1.7
132.46953	0.6
133.02692	7.6
134.05843	37.9
134.06979	3.0
135.04243	4.2
135.06230	1.1
136.04607	0.8
136.07451	1.3
145.02744	1.2
146.05894	1.1
148.07477	1.2
149.05914	1.0
150.05411	1.0
152.07114	6.0
158.02220	2.2
158.03442	0.9
160.03830	1.2
161.02391	23.1
161.04384	2.7
162.02502	4.3
163.02710	0.9
163.03885	0.8
172.10861	0.6
176.03206	0.9
176.06964	0.8
179.03227	2.1
190.05063	6.0
191.05327	0.8
192.06421	2.2
197.10645	0.7
215.11728	0.9
221.10861	5.6
223.08522	2.3
224.09328	1.2
225.10069	2.4
227.11816	1.1
235.08562	1.4
236.09302	1.1
237.10339	3.7
238.10783	1.4
239.11996	3.8
247.08592	1.0
249.06561	1.1
249.10313	5.1
250.07344	1.1
251.08116	2.0
251.11894	4.5
253.09688	0.8
261.10153	2.7
262.07339	1.7
263.08063	5.0
263.11707	1.9
264.09100	5.8
265.09918	6.4
265.12598	1.2
267.11215	0.8
269.12732	2.5
271.10782	1.2
276.08981	1.8
277.09872	11.1
278.10681	3.5
279.08609	1.2
279.11438	14.5
280.11902	1.5
281.09296	1.0
281.12726	1.8
283.10638	0.8
287.13940	0.9
289.09772	1.1
290.06912	0.9
290.10324	1.3
291.08340	1.1
291.11411	8.4
292.11935	1.0
293.09167	1.4
295.10880	1.7
296.11264	2.6
297.70450	0.9
299.01514	1.2
305.09415	15.0
305.12717	1.1
306.09698	1.4
307.10748	1.4
309.08920	1.5
309.12308	1.3
311.13843	0.9
314.12469	0.9
317.09143	3.0
318.09769	0.8
318.16266	0.8
323.10391	3.3
329.14981	1.4
337.12054	4.7
338.12137	1.0
342.16162	5.1
343.16708	0.7
356.13748	1.2
357.14505	0.8
358.15570	0.9
358.19604	0.8
360.17194	1.0
368.13937	0.8
369.14670	1.3
370.15646	1.7
371.15979	1.1
372.17084	2.5
373.25781	2.0
382.11377	0.9
384.17133	1.6
385.17764	1.6
386.14783	2.3
386.18887	2.0
387.25278	0.7
396.13272	1.0
398.14417	1.6
400.16199	0.8
410.14639	1.6
411.15665	1.4
412.16418	2.3
413.17178	1.0
417.10110	0.8
418.17462	1.5
424.16364	1.7
426.18204	3.0
427.18533	0.8
428.16010	1.8
430.17633	2.3
440.16208	0.9
452.16043	1.9
453.16806	1.1
454.17581	1.0
470.17206	2.0
471.17801	1.2
472.18979	3.8
473.19754	1.4
490.20056	1.3
575.23383	1.3
588.23749	1.3
592.23309	1.8
593.24249	1.9
594.24249	1.1
604.23102	1.6
623.27429	0.9
624.27600	1.7
625.27448	4.1
626.27563	1.1
631.28186	0.9
632.22717	9.8
633.23120	3.4
664.25287	100.0
665.25745	15.3
667.28076	1.5
711.30743	1.2
713.28528	6.9
714.29248	2.1
755.29572	30.1
756.29846	6.0
787.32227	55.4
787.77362	1.6
788.32568	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	785.2526
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01786	0.3
59.01267	7.6
69.03332	0.3
71.01271	7.2
71.36157	0.5
72.99197	0.3
73.02835	3.0
75.00751	0.3
83.01286	0.5
85.02845	2.5
85.99986	0.3
87.00769	2.1
87.04387	0.3
89.02338	5.4
89.03862	0.2
95.01337	0.3
96.26295	0.2
97.02875	0.5
98.93693	0.2
99.00784	0.6
101.02345	5.9
103.03912	0.8
105.03390	0.8
105.90943	0.2
107.04897	0.3
113.02360	2.7
115.01802	0.2
115.03938	0.6
117.03384	0.7
119.03433	1.8
123.04436	2.4
125.02338	1.2
131.03459	2.1
132.02089	2.1
133.02881	38.5
134.03265	1.4
135.04448	14.6
136.04764	0.6
143.03448	0.9
153.05516	1.9
159.02942	0.3
161.02388	100.0
161.04567	2.5
162.02713	3.9
163.06082	0.3
165.33636	0.2
179.03464	5.7
179.05283	0.4
179.05585	0.5
180.03784	0.4
205.07182	0.5
221.06644	2.5
222.07031	0.2
296.30304	0.2
297.09982	0.3
315.10895	1.9
459.14978	0.3
461.16632	1.1
477.16223	2.4
623.21997	8.7
624.22253	1.1
785.25256	57.1
786.25580	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	785.2528
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01788	0.4
59.01261	7.9
71.01270	6.6
71.37189	0.8
72.01589	0.4
72.99201	0.5
73.02838	2.8
76.28930	0.3
77.03880	0.4
83.01279	0.7
85.02844	2.8
85.99957	0.3
87.00785	2.3
87.04433	0.5
89.02338	5.2
89.03843	0.4
95.01290	0.4
97.02828	0.6
99.00801	0.5
101.02345	5.6
105.03367	0.6
108.91206	0.3
113.02361	3.0
115.03933	0.5
117.03363	0.8
119.03411	2.0
123.04464	2.6
125.02357	0.7
131.03459	1.9
132.02101	2.5
133.02881	47.7
134.03180	1.6
135.04445	17.4
136.04790	0.4
143.03442	0.9
149.47032	0.3
153.04349	0.3
153.05511	1.5
159.02940	0.3
161.02388	100.0
162.02733	4.9
163.06107	0.4
179.03481	5.7
179.05678	0.5
180.03844	0.6
221.06607	1.9
305.84329	0.3
315.10837	1.9
325.19781	0.3
349.08487	0.4
460.76547	0.3
461.16879	1.1
477.16016	1.9
605.20868	0.4
623.21350	9.8
624.22198	1.6
668.76770	0.4
785.25244	46.5
786.25641	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	785.2558
Annotation	Lamiuside C
Peak:m/z	Relative Intensity
55.01759	0.3
57.03325	0.3
58.00483	0.3
59.01265	8.3
63.19874	0.2
64.15400	0.2
68.50419	0.3
69.03348	0.3
69.10629	0.2
71.01275	5.1
72.99194	0.6
73.02827	1.8
77.03868	0.3
81.87170	0.2
83.01279	0.3
85.02846	1.7
87.00768	1.7
87.04423	0.6
89.02348	4.2
92.22331	0.3
93.03374	0.4
101.02351	5.7
103.03934	0.7
105.03371	0.6
109.02872	3.2
111.41913	0.3
113.02374	2.1
115.03939	0.6
117.03380	0.7
119.03416	3.1
121.02898	0.5
123.04446	1.6
125.02338	0.5
131.03430	1.5
132.02101	1.7
133.02892	31.0
134.03282	0.6
135.04457	18.8
136.04803	1.0
137.02385	0.5
143.03436	1.1
145.02892	3.1
147.04492	0.5
149.06032	0.6
151.04018	0.4
153.05518	0.9
161.02400	100.0
162.02754	4.4
163.03972	0.4
163.06100	0.3
175.03975	0.8
177.05551	1.2
179.03477	3.9
179.07072	0.4
180.03836	0.4
187.03973	1.1
191.05632	2.2
205.07167	1.1
221.04573	1.4
223.06194	0.3
226.95830	0.3
227.03539	0.3
237.05557	0.6
239.03474	1.6
253.05121	0.8
255.03076	0.5
255.06635	1.1
281.04413	3.8
284.03293	0.4
297.07626	1.8
305.04858	0.3
315.10999	5.6
316.11337	0.5
323.05661	0.5
342.88351	0.3
435.13147	0.8
461.16754	5.1
462.17404	0.5
477.14047	1.6
478.15262	0.3
581.18854	0.4
584.25842	0.3
593.15015	0.7
623.19958	54.4
624.20215	9.2
785.24719	19.0
786.25153	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	785.3056
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03334	1.6
59.01267	19.5
59.75201	1.1
61.98712	4.3
65.49136	1.2
71.01269	21.5
71.59059	1.6
72.99203	1.8
73.02834	5.5
80.04952	3.8
83.01282	2.7
85.02847	8.2
85.22696	1.1
87.00755	1.9
89.02333	7.3
92.98814	1.1
95.25618	1.1
96.95921	4.2
99.00777	2.0
101.02348	5.9
104.04963	1.3
106.06519	6.5
108.04455	1.1
110.87415	1.0
113.02373	6.3
116.04992	1.5
116.12228	1.1
118.61194	1.2
119.03416	1.9
120.04406	1.6
122.06031	4.0
125.02400	1.6
132.04457	2.6
133.02878	7.9
134.06047	39.1
134.41254	1.1
135.04428	4.5
138.21268	1.1
145.02902	1.5
146.06046	1.5
149.06010	1.6
152.07135	5.8
152.16628	1.2
153.86948	1.0
158.02376	3.0
160.03976	3.1
161.02386	23.1
161.04547	2.0
162.02783	1.5
176.07079	1.2
179.03470	3.0
190.05081	5.0
192.06583	2.1
213.10315	8.2
225.10344	3.2
227.11899	3.5
237.10298	1.4
239.11899	4.7
241.13521	1.8
247.08766	1.4
249.06779	1.5
249.10309	2.2
251.11818	2.0
263.08200	1.3
265.09885	3.1
267.11386	8.9
276.17188	1.0
277.06415	1.4
277.09879	3.0
279.11609	1.1
285.12503	5.2
291.07370	1.2
305.09341	3.8
307.10947	1.7
309.09027	1.6
313.13535	1.6
314.12799	1.4
315.18228	1.1
316.14725	5.6
327.13553	5.0
328.14572	1.5
337.12076	3.0
340.10870	2.0
340.14597	14.0
341.11551	1.5
341.15149	1.5
342.12723	2.9
354.12796	1.3
356.14063	5.7
357.14648	2.5
358.15701	4.6
368.10263	4.7
368.14279	2.8
369.10931	2.1
370.15826	2.7
372.17340	2.1
382.11548	2.5
382.16071	2.0
384.13309	9.5
384.17209	1.9
394.11584	1.5
394.16293	1.4
396.13693	4.0
396.57654	1.3
397.14182	2.2
398.15045	9.1
399.16028	1.3
400.16687	3.5
410.15259	5.2
411.15421	1.3
412.16797	5.1
426.14655	3.3
438.14444	3.8
444.15811	1.3
489.19699	2.1
491.21112	1.7
503.20792	1.6
505.22711	1.7
531.20288	1.7
545.22614	2.7
573.21490	5.8
591.22699	3.8
592.23022	2.9
665.26477	2.4
685.28857	2.5
711.26447	2.6
712.27808	2.1
725.28870	1.7
753.27942	100.0
754.28235	23.3
785.30548	87.2
786.30719	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	785.253
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01773	0.3
59.01265	4.9
70.08302	1.3
71.01270	3.7
73.02830	1.0
75.37960	0.2
83.01262	0.4
85.02851	1.0
87.00785	1.3
89.02336	3.1
101.02330	2.6
103.03952	0.5
103.68240	0.2
105.03382	0.4
113.02364	1.7
115.03931	0.6
117.03378	1.0
119.03409	1.6
123.04436	1.0
125.02368	0.4
129.45441	0.2
131.03455	0.4
132.02100	2.1
133.02884	27.1
134.03236	0.9
135.04453	16.0
136.04788	0.9
143.03458	1.0
153.05530	0.7
160.01602	0.7
161.02391	100.0
162.02744	5.0
179.03476	4.1
179.05844	0.3
180.03831	0.3
203.03459	0.4
205.07205	0.6
221.25410	0.2
249.07764	0.9
258.03568	0.2
279.08804	0.4
297.09790	0.5
315.10941	3.9
316.11584	0.3
323.07758	0.9
341.09018	0.2
353.16910	0.3
358.79379	0.2
443.15634	0.3
461.16629	3.4
462.17288	0.5
487.14771	0.7
579.08771	0.3
623.19971	50.9
624.20374	8.3
785.25354	12.6
785.40125	0.5
786.25562	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	785.2527
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	7.3
66.43769	0.3
70.73379	0.9
71.01271	5.8
72.99191	0.3
73.02832	2.2
83.01289	0.4
85.02850	1.4
85.80354	0.3
87.00779	1.7
89.02339	5.7
95.01281	0.4
97.02837	0.6
101.02348	5.3
103.03899	0.4
105.03329	0.5
105.99516	0.3
113.02370	2.6
117.03386	0.6
119.03400	2.9
123.04462	2.1
125.02374	1.5
131.03419	1.8
132.02089	1.3
133.02887	25.7
134.03235	1.0
135.04453	11.5
135.05295	0.2
136.04785	0.5
143.03430	0.8
153.05531	2.7
161.02391	100.0
161.04567	2.6
162.02725	4.9
179.03462	5.0
179.05553	1.3
180.03813	0.5
200.49854	0.3
213.94948	0.3
221.06677	3.5
261.07843	0.9
276.24213	0.4
315.10809	1.9
388.88995	0.3
461.16782	0.9
477.16162	4.1
478.16745	0.5
605.21478	0.4
623.22052	11.9
624.22144	1.9
625.02008	0.4
649.19904	2.5
650.20990	0.5
767.31238	0.4
782.78210	0.4
785.25275	66.6
786.25549	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	785.2523
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01268	6.6
59.16159	0.3
59.16511	0.3
67.01809	0.4
69.03336	0.5
69.90482	0.7
69.90897	0.7
71.01271	8.6
72.99194	0.7
73.02843	2.7
75.00769	0.4
77.03868	0.3
81.03362	0.5
83.01291	0.7
85.02856	5.1
87.00780	3.0
87.69508	0.3
89.02348	4.9
93.03362	1.0
95.01290	0.5
96.95902	0.3
98.20638	0.3
99.00786	1.1
101.02356	5.2
103.03945	0.9
105.03370	0.8
109.02836	0.5
113.02362	2.8
115.01853	0.5
117.03403	0.8
119.03423	2.4
123.04427	2.7
125.02367	0.9
127.03915	0.6
131.03462	2.0
132.02106	2.5
133.02890	42.6
134.03178	1.9
135.04456	15.7
136.04828	0.5
143.03479	1.0
145.04924	0.3
153.05544	1.9
161.02406	100.0
162.02768	4.3
163.06088	0.6
173.04477	0.5
179.03474	4.5
179.05602	0.8
184.82259	0.2
191.05600	26.1
192.05943	1.2
200.31964	0.3
205.07175	0.3
218.11133	0.3
221.06630	2.7
232.75690	0.3
315.10843	1.7
323.09882	0.8
343.52869	0.3
353.08926	0.6
443.19522	0.4
461.16531	0.9
477.16061	1.6
478.35410	0.3
614.03870	0.3
623.22028	8.9
624.22583	1.1
785.25281	53.1
786.25580	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	785.2527
Annotation	Unknow
Peak:m/z	Relative Intensity
55.42261	0.2
59.01264	6.8
70.34962	0.2
71.01267	5.3
71.36134	0.6
72.63315	0.2
73.02833	1.9
83.01281	0.4
85.02848	1.9
87.00761	1.3
87.04408	0.5
89.02346	5.2
90.25754	0.3
99.00777	0.6
101.02347	5.8
103.03902	0.9
105.03424	0.4
113.02358	3.0
115.03906	0.4
117.03400	0.8
119.03434	2.4
123.04441	1.7
125.02372	1.5
131.03444	2.2
132.02090	1.5
133.02881	27.6
134.03191	0.8
135.04449	12.8
136.04791	0.7
143.03445	1.0
149.04494	0.3
153.05521	1.3
161.02390	100.0
161.04568	2.6
162.02730	4.4
163.06076	0.6
179.03464	4.2
179.05585	0.6
180.03809	0.4
205.07172	0.4
221.06717	3.1
233.06853	0.4
315.10986	1.9
388.36337	0.4
459.15576	0.3
461.16867	1.0
477.16351	2.7
478.16739	0.4
623.21948	5.8
624.22083	0.7
649.20490	0.5
785.25256	29.3
786.25604	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	785.2523
Annotation	Echinacoside
Peak:m/z	Relative Intensity
57.03345	0.4
58.00491	0.4
59.01267	7.7
64.39850	0.3
69.03340	0.4
70.41110	0.8
70.41479	0.3
71.01270	9.1
72.99212	0.5
73.02839	2.9
75.00762	0.3
78.95804	0.3
81.03342	0.4
82.61256	0.2
83.01273	0.6
83.04884	0.2
84.36922	0.2
85.02848	5.3
86.00006	0.4
87.00769	3.5
87.04417	0.3
89.02345	5.4
89.03893	0.3
93.03362	1.9
95.01300	0.3
95.04901	0.2
97.02883	0.5
99.00798	0.7
99.04420	0.3
101.02353	6.0
102.02717	0.2
102.39725	0.2
103.03927	0.7
105.03381	0.5
107.04917	0.4
109.02858	0.6
111.04456	0.6
113.02354	3.2
115.03931	0.5
117.03406	0.8
119.03421	2.2
123.04435	2.7
124.98887	0.2
125.02382	1.6
127.03946	0.8
131.03459	1.7
132.02095	2.7
133.02885	41.6
134.03145	2.1
135.04449	15.5
136.04790	0.8
143.03435	1.1
153.05505	1.3
161.02397	100.0
161.04567	2.5
162.02733	4.7
163.06071	0.5
171.03128	0.2
173.04515	1.1
179.03471	4.8
179.05545	0.7
191.05597	34.4
191.83479	0.2
192.05922	1.0
200.17885	0.2
205.07162	0.4
221.06679	2.5
233.06628	0.2
297.09900	0.3
302.33820	0.2
315.10904	1.9
323.09943	2.4
323.13464	0.3
459.15262	0.3
461.16937	1.2
477.16116	2.1
605.20972	0.6
623.21985	8.5
624.22418	1.3
644.70905	0.2
649.20465	0.4
707.14795	0.3
747.14325	0.2
785.25281	51.9
786.25586	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	783.4555
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01780	0.2
58.00488	0.2
59.01259	2.5
61.98695	0.2
70.63872	0.1
71.01272	2.5
71.04880	0.2
72.99189	0.2
73.02837	0.5
77.24561	0.2
77.59244	0.1
80.02567	0.9
80.96366	0.2
81.03355	0.9
82.40034	0.1
83.01273	0.4
83.04410	0.2
83.04914	4.1
84.02056	0.4
85.02839	0.5
87.00772	0.4
89.02330	1.8
95.04926	0.5
97.02865	0.2
97.06454	0.2
98.20631	0.3
101.02343	1.8
109.06498	0.2
113.02382	0.9
119.03408	0.6
125.06010	0.5
135.08066	0.5
143.03415	0.3
158.39767	0.1
161.04529	0.9
163.11241	2.7
164.11597	0.2
165.12793	1.9
179.05563	0.5
181.12352	0.4
191.10730	0.8
209.11816	100.0
210.12151	6.3
227.12891	12.2
228.13179	0.8
235.08250	1.4
253.09326	7.2
259.20663	0.2
275.20224	0.2
277.21777	47.2
278.22134	4.7
278.24658	0.1
396.30917	0.2
445.20941	2.2
513.30823	0.3
577.85632	0.2
683.06445	0.2
781.10925	0.2
783.42554	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.4557
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	4.1
61.95640	0.3
61.98703	0.3
64.55100	0.3
69.78870	1.0
69.79279	1.0
71.01268	3.4
73.02837	0.8
74.05892	0.3
80.02565	0.5
81.03358	0.7
83.01273	0.4
83.04912	2.5
84.02064	0.5
85.02835	1.1
87.00790	1.2
89.02336	1.5
95.04916	0.6
98.19765	0.4
101.02341	2.7
113.02364	1.6
125.02361	0.3
127.07546	0.4
131.03432	0.3
133.04994	0.6
142.72263	0.3
145.05040	0.8
161.04495	1.5
163.11198	2.5
165.12839	1.8
173.15402	0.4
179.05592	0.4
181.12416	0.5
191.10791	0.9
206.16273	0.4
209.11821	75.1
210.12183	4.5
227.12891	9.8
228.13341	0.5
235.08275	5.6
236.08598	0.4
253.09337	8.8
277.21783	100.0
278.19040	0.5
278.22156	10.3
287.76718	0.4
413.70657	0.4
445.20807	1.0
513.31067	1.2
749.93713	0.4
814.54010	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	784.4147
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01260	1.4
60.55349	0.2
61.98718	100.0
69.38932	0.4
69.39339	1.1
71.01294	0.5
71.68408	0.2
80.96423	0.4
83.04937	0.4
89.02340	0.4
99.00795	0.3
99.07352	0.2
101.02357	0.3
118.49487	0.2
163.11281	0.3
181.12256	0.2
207.10233	0.4
208.10712	0.4
209.11830	10.1
210.06892	0.3
210.12175	3.8
220.15858	0.2
225.11349	0.9
226.11667	0.8
227.13159	0.9
228.13193	0.2
235.08221	0.2
253.09372	0.8
277.21786	6.4
278.22134	4.4
279.22449	0.5
419.37088	0.2
462.20749	0.4
463.20917	0.4
723.43152	0.3
724.43170	0.5
784.44305	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.2309
Annotation	Unknow
Peak:m/z	Relative Intensity
55.77591	0.2
57.03344	0.4
59.01262	4.6
61.98718	0.8
69.03350	0.4
71.01271	3.1
71.57575	0.5
72.99195	0.4
73.02853	0.8
73.65155	0.2
78.95807	0.4
79.53715	0.2
83.01260	0.6
85.02854	1.2
87.00784	1.1
88.98701	0.3
89.02340	3.1
89.03867	0.5
93.03444	0.3
95.04939	0.3
95.57489	0.3
96.95927	1.0
97.95288	0.3
101.02344	3.0
105.03374	0.7
109.02851	0.5
113.02352	1.5
116.92758	0.4
117.03370	2.8
119.03438	1.7
119.04955	1.3
121.02869	0.6
123.04445	1.2
125.02396	0.7
131.03416	0.9
132.02100	2.4
133.02884	37.5
134.03175	1.5
135.04453	14.3
136.04793	0.5
137.02344	0.3
143.03441	0.8
145.02888	5.5
147.04408	0.3
149.02365	0.4
149.06052	0.8
150.03169	0.6
151.00316	0.6
151.03957	0.4
152.99542	0.7
153.05507	0.5
161.02390	100.0
162.02730	4.6
163.03996	1.7
163.06125	0.4
165.05531	0.6
171.99763	0.3
177.05498	0.6
179.03467	3.6
179.05054	0.4
179.07056	0.3
181.05055	0.5
191.05426	0.3
195.06650	0.4
203.03413	0.5
205.07185	0.4
221.04561	0.4
249.07605	0.4
301.03625	2.0
302.04272	0.3
315.10928	3.5
461.16727	2.1
487.14279	0.3
605.18958	1.1
606.19550	0.4
623.19940	18.9
624.20282	2.8
649.17944	0.9
753.24854	0.3
785.23285	31.8
786.23627	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	785.2312
Annotation	Unknow
Peak:m/z	Relative Intensity
58.95781	0.1
59.01267	4.8
61.98718	0.5
69.75630	1.0
70.02901	0.2
71.01266	3.1
72.99207	0.4
73.02843	1.0
77.03874	0.2
83.01287	0.3
85.02829	1.3
87.00775	0.7
88.98720	0.2
89.02338	2.4
89.03890	0.2
93.03365	0.3
95.01327	0.2
95.04963	0.2
96.95924	0.8
101.02341	2.8
104.02580	0.2
105.03371	0.5
107.04946	0.2
113.02364	1.4
113.48592	0.2
115.01820	0.3
115.03934	0.3
117.03394	1.1
119.03421	1.9
119.04987	0.3
123.04465	1.2
125.02333	0.4
131.03448	0.6
132.02081	2.7
133.02882	39.6
134.03276	1.6
135.04449	13.7
136.04762	0.8
137.02402	0.3
143.03436	1.1
145.02914	1.5
149.02364	0.3
149.06033	0.6
150.03183	0.4
151.03897	0.3
153.05531	0.7
161.02391	100.0
162.02736	4.6
163.03990	0.2
164.37842	0.2
165.05579	0.3
166.05821	0.2
167.82999	0.2
172.79477	0.2
177.05553	0.7
179.03467	3.4
180.03798	0.2
181.04985	0.5
191.05595	0.5
195.06369	0.2
203.03418	0.3
205.07173	0.6
209.08350	0.2
221.04581	0.5
228.07468	0.2
261.07700	0.2
281.06711	0.4
283.18423	0.2
286.76089	0.2
300.02875	0.2
311.10287	0.2
315.10910	3.1
316.11288	0.3
358.87155	0.2
361.47110	0.2
443.15472	0.3
449.27600	0.6
459.12634	0.2
461.16791	2.6
462.16907	0.2
477.14240	0.3
605.18951	0.7
623.19946	16.1
624.20203	2.3
639.20648	0.2
649.18103	0.4
673.61218	0.2
753.25568	0.2
785.23212	32.4
786.23608	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	785.2311
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03338	1.1
59.01266	23.3
69.24600	1.9
69.25077	4.0
69.25510	7.2
71.01276	13.1
72.99202	2.2
73.02837	5.5
83.01271	1.3
84.71996	1.1
85.02859	5.2
85.99985	1.2
87.00766	3.9
89.02347	10.9
93.03349	1.6
96.95925	1.5
100.68255	0.9
101.02351	9.4
103.03889	1.4
109.02863	21.0
113.02323	4.4
115.03915	1.1
117.03393	2.5
119.03409	4.2
119.04924	3.4
121.02855	2.0
123.04438	2.5
125.02383	2.1
131.03441	3.0
132.02054	3.3
133.02890	40.8
134.03328	1.3
135.04457	21.0
136.04778	1.3
143.03421	1.4
145.02888	13.5
147.04465	1.3
149.06023	3.7
150.03160	1.8
153.05499	1.9
159.04449	3.0
160.74284	1.0
161.02396	100.0
161.06009	3.9
162.02722	4.6
163.03966	1.9
164.04507	1.2
175.03963	2.9
179.03456	5.7
179.07066	1.9
180.03812	1.0
186.03142	1.0
187.03984	11.0
188.04234	1.0
205.07054	1.1
206.81383	1.1
209.06001	2.6
211.04010	2.7
213.01991	3.2
214.02664	1.4
225.05583	2.8
225.09158	3.3
227.07191	2.3
233.06033	1.1
237.05626	7.3
239.03534	23.3
240.04155	2.3
253.05104	14.4
255.03033	1.3
255.06757	5.4
279.03113	1.7
279.06305	1.1
280.03717	2.0
281.04630	75.5
282.04959	4.7
284.03265	1.5
285.03992	2.4
295.06265	1.4
297.07587	6.0
305.04654	7.4
315.10898	4.3
323.05658	10.4
341.06644	1.5
435.12946	2.4
447.37982	1.2
461.16626	15.3
477.14252	6.5
551.21753	2.0
581.18994	2.3
623.19965	32.9
624.20654	5.5
713.24103	7.3
714.25562	1.4
741.23480	1.2
767.80066	1.4
785.23340	63.7
786.23859	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	781.4402
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	12.8
61.98703	0.8
69.03336	0.7
69.87935	2.6
69.88362	1.1
71.01267	4.5
73.02854	0.8
78.95785	1.4
80.02574	0.6
80.96409	1.3
81.03355	1.3
83.01290	1.1
83.04916	1.5
85.02847	2.1
87.00754	1.7
89.02348	2.6
94.97982	0.7
95.01265	0.8
97.02857	3.8
98.20512	0.6
99.00769	1.3
101.02354	5.6
106.04187	0.6
109.06499	15.3
110.03629	0.6
113.02352	2.1
115.03881	0.5
119.03449	0.9
121.02863	1.8
121.06524	1.5
123.04402	0.6
135.08090	1.7
136.05235	0.9
142.02620	1.5
145.05013	1.2
161.04491	2.1
161.09645	1.4
163.11229	8.6
164.11557	0.6
165.01918	1.7
181.12276	1.5
189.09140	2.0
207.10251	50.8
208.10559	3.3
209.11826	4.6
210.06854	1.8
225.11330	15.9
226.11685	0.9
235.08215	6.3
240.09528	0.5
253.09361	11.8
255.23384	0.6
275.20212	0.7
277.21780	100.0
278.22104	8.8
284.76727	0.5
399.68304	0.6
441.33936	0.9
443.19388	2.2
461.20303	3.3
513.30981	1.1
721.41827	26.0
722.42352	4.7
781.41620	3.8
782.41687	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.4402
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	0.5
57.03339	0.4
59.01264	17.4
61.98690	0.5
69.03341	0.6
71.01273	4.5
71.04903	0.9
71.58913	0.4
71.99211	0.3
72.99188	0.3
73.02827	0.8
80.96400	0.9
82.63985	0.3
83.01254	0.7
83.04937	0.5
85.02838	1.5
87.00772	1.1
87.79462	0.3
89.02322	1.9
94.98041	0.3
95.04925	0.3
97.02846	5.8
97.06470	0.9
99.00777	11.0
99.01446	0.6
101.02342	2.8
109.06505	1.7
110.03629	1.2
111.00759	0.3
111.04452	0.3
113.02366	2.0
115.94559	0.3
119.03371	0.5
119.04884	0.3
121.02861	0.7
123.08082	0.5
125.02338	0.9
125.09665	2.8
135.08069	1.0
136.05219	1.2
142.02679	2.2
145.10100	0.5
161.04468	0.6
161.09679	0.7
163.11237	7.5
165.01869	0.6
179.10739	0.8
181.12308	16.5
182.12653	0.9
197.11853	1.0
199.13356	1.3
207.10254	49.3
208.10609	2.7
225.11322	100.0
226.11694	5.7
233.22690	0.4
235.08171	1.5
243.12419	10.5
244.12671	0.6
253.09303	2.3
259.20602	0.5
277.21774	84.7
278.22116	6.5
281.13989	0.4
299.15051	0.9
317.16074	0.9
324.11676	0.3
401.32813	0.4
443.19385	4.4
461.20364	42.2
462.20700	4.1
484.37781	0.4
513.30707	0.4
577.37494	0.8
721.41809	27.3
722.42047	6.1
781.40918	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.4402
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01769	0.4
57.03330	0.5
59.01266	12.6
61.98691	0.3
69.03360	0.4
71.01266	3.9
71.04901	0.8
71.50612	0.3
73.02832	1.2
78.95789	0.4
80.96415	0.8
83.01271	0.6
83.04908	0.6
85.02856	1.0
87.00766	1.2
89.02335	1.5
93.93771	0.2
95.01313	0.3
97.02856	4.3
97.06454	0.6
99.00786	6.8
101.02357	2.6
109.06495	1.0
113.02367	1.3
119.03401	0.4
121.02859	0.6
123.04396	0.4
123.08094	0.3
125.02369	0.3
125.09672	1.8
135.08078	0.7
136.05209	0.4
142.02641	1.0
161.04485	0.8
161.09631	0.5
163.11237	4.6
165.01938	0.5
179.10770	0.4
181.12306	7.5
182.12599	0.3
195.00183	0.3
197.11859	0.5
199.13364	0.9
207.10257	27.3
208.10574	1.3
209.11729	0.5
210.06885	0.7
225.11325	54.0
226.11653	3.1
233.22929	0.3
235.08247	2.4
241.01198	0.4
243.12427	6.4
253.09320	3.1
259.20840	0.5
267.12415	0.4
267.18417	0.3
277.21783	100.0
278.22122	8.3
292.14017	0.3
299.15063	0.4
309.13181	0.3
405.17804	0.6
443.19281	5.5
444.19882	0.6
461.20404	5.9
462.20889	0.6
513.30859	0.8
531.50562	0.3
577.37555	0.4
700.46954	0.3
721.41864	22.8
722.42010	4.8
781.41193	1.6
782.41266	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.2942
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01793	0.7
59.01266	3.9
61.98725	4.1
65.05361	0.6
71.01269	4.0
71.36888	0.7
73.02830	0.9
78.49330	0.7
79.98718	0.7
83.01286	0.9
85.02844	2.2
86.93623	0.8
87.00775	0.8
89.02345	1.8
93.03336	4.5
95.01301	0.9
96.95924	3.0
99.00791	0.7
101.02350	2.3
106.01134	0.7
107.04923	0.7
108.02092	2.1
109.02882	1.0
113.02371	2.4
116.92792	0.8
121.02869	7.8
122.03657	15.2
123.00782	1.9
123.04444	2.5
124.01613	1.5
125.02372	1.7
133.02901	4.0
134.03635	1.1
135.04404	3.7
136.01596	21.4
137.02370	5.2
143.03474	0.7
145.02861	1.7
147.04442	1.2
149.02386	28.1
149.05984	2.5
150.03171	91.5
151.00316	3.9
151.03969	25.7
152.01001	0.8
152.04349	0.8
159.04515	1.0
161.02399	5.3
161.04536	1.8
162.03096	2.3
163.03922	1.5
164.04739	7.6
165.05530	100.0
166.02660	14.1
166.05830	4.3
167.03238	1.1
170.29207	0.7
175.03966	2.8
177.01953	1.7
177.05540	2.4
178.02675	1.1
179.03508	2.0
179.07109	2.5
180.04269	5.5
181.05035	15.6
187.03949	0.8
190.06300	1.2
193.05035	1.5
194.05811	1.0
195.06616	71.2
196.06921	4.6
197.84663	0.8
203.03497	0.8
204.76530	0.7
205.05072	1.1
221.08223	0.7
225.05647	1.4
226.06273	0.8
266.05881	1.0
267.06586	1.4
270.09070	1.1
271.09967	1.2
297.07861	0.9
298.08496	0.9
299.09259	1.6
301.10742	1.0
309.07956	0.9
310.08771	0.8
313.10916	3.0
329.10425	1.6
342.11124	1.2
343.11932	21.9
344.12363	2.3
347.16946	1.3
356.12753	0.8
357.09814	6.2
357.13580	8.9
358.10162	1.4
358.14139	1.1
369.13419	1.4
372.12228	4.2
373.12991	9.1
374.13608	1.3
387.14594	45.6
388.14993	5.3
391.14294	3.8
430.45844	0.9
431.26404	1.0
447.26016	1.3
449.27753	3.1
505.18741	0.9
535.19794	15.9
536.20544	2.2
565.20520	0.8
583.21973	5.5
584.22437	1.4
628.72015	0.8
731.27411	3.3
749.28815	1.0
761.27917	1.6
779.29047	2.9
780.28778	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.4408
Annotation	Unknow
Peak:m/z	Relative Intensity
55.74953	0.5
57.05497	0.7
59.01264	19.5
61.98713	2.5
71.01273	6.4
73.02843	1.7
78.95808	1.7
80.02570	0.8
80.96416	1.0
81.03358	2.4
83.01298	0.8
83.04909	3.1
85.02844	2.3
87.00796	1.4
89.02338	4.5
93.03387	0.7
95.01261	1.1
95.04951	0.9
97.02846	5.4
99.00787	1.2
101.02347	7.1
107.04929	0.8
109.06503	39.0
110.03632	0.8
110.06832	0.7
113.02380	2.8
119.03437	0.7
121.02913	1.1
121.06503	2.0
123.04476	0.7
135.08099	3.6
136.01620	1.8
136.05208	0.7
141.59354	0.6
142.02661	2.8
145.04962	0.7
145.10159	0.7
151.03958	2.2
161.04524	2.2
161.09630	1.7
163.11241	18.9
178.12338	0.6
179.05554	1.2
181.12279	3.9
189.09148	4.6
207.10251	99.7
208.10606	6.5
209.11832	3.6
210.06898	1.1
222.11386	2.7
225.11334	36.6
226.11737	3.1
235.08171	3.7
241.01144	0.7
243.12436	0.8
253.09309	15.2
254.09702	0.9
254.14006	5.7
255.23271	1.1
277.21777	100.0
278.22095	6.9
281.14359	0.6
286.16544	0.6
299.15103	0.9
326.93082	0.6
357.13388	1.8
423.32608	0.6
425.18588	0.7
440.18781	0.7
441.33948	1.9
443.19168	7.1
458.20392	0.7
461.20349	12.0
462.20642	0.7
467.32217	0.7
703.40723	2.4
721.41833	35.8
722.42200	8.2
750.44507	0.8
781.41589	4.1
782.42236	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.2839
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01767	1.5
56.44249	1.0
57.03322	1.7
58.00473	4.7
59.01264	99.0
61.67897	0.9
61.98706	3.6
69.54598	1.1
69.62155	6.4
71.01272	87.9
72.01599	1.9
72.99206	8.1
73.02831	2.6
83.01267	2.8
85.02848	14.4
87.00773	6.9
89.02337	100.0
90.02651	1.8
93.03343	2.5
95.01290	5.1
96.95936	1.1
97.02849	1.2
98.20527	1.8
101.02345	47.0
108.02048	1.1
109.02862	2.2
113.02360	35.4
117.03345	1.6
118.64873	0.9
119.03419	43.7
119.04868	2.5
121.02891	4.8
122.03704	5.1
123.00785	2.2
123.04432	1.1
124.01588	1.1
125.02369	2.4
131.03412	4.7
133.02892	4.8
134.03641	1.5
135.04443	5.1
136.01595	8.4
137.02380	8.2
138.03207	1.7
139.00209	1.0
139.03934	1.0
143.03435	10.3
145.02910	6.8
146.03624	2.8
147.04431	2.8
149.02394	11.0
149.04478	4.9
149.05992	1.7
150.03169	43.8
150.75539	1.0
151.00310	9.2
151.03966	11.7
152.04668	1.8
153.01872	1.8
153.05525	3.5
160.05244	1.4
161.02397	15.6
161.04485	9.0
161.05888	1.3
162.03178	26.4
162.30862	0.9
163.03757	2.6
164.04733	2.4
165.01915	15.1
165.05530	46.6
166.02658	33.1
166.05910	2.9
167.03255	2.6
175.03964	3.9
176.01173	2.0
177.01886	14.5
177.05525	17.5
178.02519	1.4
179.03638	5.9
179.05557	24.4
179.07088	1.7
180.04263	11.7
181.05028	38.5
182.05385	1.6
187.03996	1.1
189.05428	1.1
190.06306	1.7
191.03462	3.5
191.05588	1.0
192.04248	11.2
193.04837	2.1
194.05876	1.2
195.06601	57.0
196.06847	2.4
203.03453	1.3
205.04994	2.4
207.06607	12.0
208.03795	1.2
210.05304	2.7
218.04500	1.1
220.07491	1.2
221.08115	1.0
223.06145	4.1
225.07698	9.1
244.91539	0.9
283.02466	1.0
329.10229	1.0
343.12033	1.2
357.13104	2.3
372.12167	1.9
386.13647	1.3
387.10175	1.8
387.14835	13.7
402.13269	2.5
403.14111	2.8
416.14954	1.9
417.15625	23.9
418.15994	2.5
465.26511	1.0
565.20911	11.7
566.21326	1.9
577.20978	16.8
578.21063	3.1
595.21832	1.3
613.23151	17.4
614.23401	3.5
775.28345	5.6
776.28058	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	778.3516
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01260	9.9
61.98705	6.7
71.01266	6.3
73.02814	2.2
80.02538	1.8
83.04910	6.8
89.02327	4.9
95.04942	2.3
97.02828	3.6
99.00776	2.2
101.02346	7.2
109.06499	24.5
109.17322	2.5
113.02374	4.7
119.05005	1.7
125.09604	2.4
133.02864	2.6
135.08069	5.2
145.02876	3.4
156.90161	1.8
161.02412	4.4
161.04475	2.6
163.11243	17.1
164.19974	1.7
181.12381	3.5
207.10255	74.7
208.10597	5.0
209.11824	100.0
210.12196	6.0
211.07625	3.9
218.69524	1.9
221.12007	1.8
223.68900	1.9
225.11310	34.3
226.11630	2.1
227.12892	18.5
229.24184	1.9
235.08276	4.7
249.11461	2.2
253.09384	10.2
399.21823	7.0
417.22687	5.3
418.23532	2.2
443.19379	3.5
447.13162	2.4
461.20432	17.0
531.22754	2.2
635.30573	11.0
636.30383	2.8
653.32184	10.2
671.33075	23.2
672.33044	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	775.284
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01773	1.1
56.03122	0.3
57.03338	1.7
58.00483	6.2
59.01264	100.0
60.01596	0.6
61.98724	0.6
69.55450	1.6
69.55878	1.3
71.01269	79.2
72.01601	1.1
72.99193	6.1
73.02847	1.7
75.00759	0.6
76.42055	0.4
83.01263	2.1
85.02840	13.6
87.00770	4.2
89.02337	89.4
90.02688	1.6
93.03346	0.7
95.01288	5.7
99.00776	0.6
101.02346	36.2
102.02686	0.7
105.27982	0.4
107.03448	0.4
109.02892	0.8
113.02353	29.1
114.02692	0.6
119.03417	33.6
120.03764	0.6
122.71149	0.5
125.02350	1.4
131.03416	4.6
133.02882	1.0
135.04434	1.1
136.01599	0.5
137.02344	1.3
143.03430	8.8
143.04463	0.3
146.03635	1.0
147.04427	0.5
149.02295	0.9
149.04463	2.4
149.05971	0.5
150.03149	1.3
151.00278	1.1
151.03897	1.3
153.05504	0.6
161.02461	2.4
161.04501	8.0
162.03116	0.9
164.04755	0.7
165.01747	0.7
165.05446	0.8
166.02666	2.6
168.04247	0.5
175.03960	0.5
176.01060	1.1
177.01857	0.6
177.05574	2.2
179.03548	0.9
179.05583	24.6
179.07072	2.4
180.05878	0.9
181.04980	2.1
191.03404	1.1
192.04277	0.8
193.04990	0.8
195.06555	1.4
204.04300	0.4
205.04951	0.5
207.06566	1.4
220.07288	0.5
223.06046	0.8
225.07518	0.5
275.33832	0.4
385.12708	0.6
386.13693	0.7
387.14536	0.8
416.10205	0.5
416.14844	4.0
417.15390	1.7
535.16553	0.5
550.19025	0.5
565.20947	8.0
566.20905	1.1
574.27319	0.4
595.21448	0.7
672.06677	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.2581
Annotation	Ecteinascidin 770
Peak:m/z	Relative Intensity
54.48838	0.3
59.01267	6.1
70.34779	0.9
71.01273	5.0
72.99191	0.3
73.02836	1.5
77.03889	0.3
83.01292	0.3
85.02834	1.9
87.00778	1.1
89.02342	3.6
95.04934	0.3
97.02823	0.4
99.00765	0.3
101.02346	3.7
103.03912	0.3
103.37862	0.3
105.03358	0.6
113.02361	1.8
115.01828	0.3
115.03895	0.4
117.03412	1.4
119.03439	1.6
119.04926	1.9
125.02420	0.5
131.03435	0.6
132.02119	2.5
133.02885	32.5
134.03297	1.1
135.04448	11.8
137.05960	0.4
143.03427	0.8
161.02396	100.0
162.02722	4.5
179.03459	5.5
179.05272	0.5
205.07187	0.3
221.06647	0.7
246.33621	0.3
299.11462	0.4
341.38266	0.3
445.17297	0.5
480.69333	0.3
598.85468	0.3
607.22278	0.8
769.25775	42.4
770.26062	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	773.3291
Annotation	Unknow
Peak:m/z	Relative Intensity
56.02402	0.1
58.86969	0.1
59.01266	0.2
61.98719	0.2
70.54922	0.1
71.01245	0.2
71.58775	0.2
78.95795	3.9
79.95631	2.8
96.95916	100.0
96.96803	4.6
97.95858	0.4
98.02369	0.1
100.13058	0.1
103.70875	0.1
123.53067	0.1
241.86578	0.1
259.11359	0.1
277.21683	0.1
361.04465	0.1
397.13770	0.1
407.17737	0.2
435.08347	0.4
453.09439	0.4
713.30396	0.7
732.93976	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	773.3293
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00797	0.1
70.16071	0.3
74.59611	0.1
75.75999	0.1
78.95792	2.7
79.95628	3.0
94.97984	0.1
96.00854	0.1
96.95915	100.0
96.96797	3.7
97.95856	0.2
98.02376	0.2
101.43677	0.1
111.81016	0.1
117.65790	0.1
168.24312	0.1
177.45586	0.1
186.11812	0.1
202.89426	0.1
204.98227	0.1
246.40614	0.1
263.85980	0.1
331.29541	0.1
369.00955	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	773.3627
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01750	0.3
59.01268	2.4
61.98718	11.1
64.44348	0.3
71.01270	3.3
72.99207	0.5
73.02840	0.9
83.01277	0.6
85.02868	1.8
87.00756	0.7
88.98692	0.8
89.02337	0.7
89.03854	0.5
93.03345	0.6
95.01254	0.4
96.95910	1.3
96.96914	0.3
99.00769	0.8
101.02354	2.6
105.03379	0.5
107.04958	0.6
108.02082	0.4
109.02900	0.4
111.00798	0.5
113.02354	1.2
115.01757	0.4
116.92869	0.3
117.03371	1.2
119.03389	0.3
121.02905	0.6
122.03655	0.5
122.78288	0.3
123.04394	0.5
125.02365	1.1
132.02095	2.7
133.02884	38.0
134.03575	1.3
135.04451	30.8
136.04761	1.2
137.02351	1.4
145.02882	2.3
147.04442	0.4
149.06039	3.9
151.03908	0.4
160.01619	0.3
160.23091	0.3
161.02391	100.0
162.02730	5.4
163.03983	0.5
168.52158	0.3
174.03209	0.4
175.04079	1.5
177.01886	1.6
177.05547	1.7
178.02298	0.6
179.03462	39.0
180.03853	1.2
203.03468	5.7
203.28944	0.4
221.04523	1.8
221.06544	0.3
237.05054	0.3
269.21439	0.6
273.71280	0.3
287.22311	3.2
289.07526	0.3
301.23819	0.4
311.11505	1.1
431.26517	3.6
432.27121	0.5
449.27618	15.5
449.91257	0.3
450.28024	1.7
473.27930	2.4
474.27805	0.4
487.14590	0.4
491.28595	1.1
593.31024	0.4
611.30603	4.7
611.38409	0.3
622.19128	0.7
719.25659	2.5
720.26312	0.7
758.88043	0.3
773.36218	16.3
774.36743	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	769.2573
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03331	0.5
58.00480	0.5
59.01262	9.3
70.49860	1.0
70.50269	0.9
71.01267	9.8
72.99211	0.9
73.02845	2.2
81.03372	0.7
83.01289	0.8
85.02847	2.4
85.99974	0.5
87.00765	3.0
89.02343	5.8
95.01277	0.7
97.02831	0.6
98.19806	0.5
99.00780	1.2
101.02344	8.6
113.02368	3.6
117.03376	16.7
118.03671	0.5
119.03430	2.9
119.04937	4.8
123.04436	2.2
123.69397	0.5
125.02367	2.4
131.03435	1.9
132.02084	1.7
133.02885	32.3
134.03423	1.0
135.04453	16.0
136.04759	1.0
137.02354	0.8
143.03429	1.6
145.02892	43.9
146.03221	2.0
150.03001	0.7
151.03928	0.7
153.05490	1.1
159.03015	0.6
161.02391	100.0
161.04578	2.5
162.02748	4.4
163.03978	2.2
163.06030	0.6
175.04018	0.5
179.03458	5.3
179.05608	0.9
192.99586	0.6
221.06651	2.2
243.02933	1.1
269.10257	0.7
271.02454	1.5
295.67590	0.6
299.01926	3.2
300.02817	1.1
314.04330	2.8
315.05215	0.9
315.10931	1.0
459.15067	0.6
461.16730	1.4
477.16278	1.9
605.20715	1.6
607.20709	5.0
608.21277	1.0
623.22046	9.5
624.21906	0.9
649.19617	0.7
769.25714	54.6
770.26294	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	775.2838
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01267	1.5
61.98709	0.4
68.99684	0.4
69.03316	0.4
69.26434	0.3
69.50304	2.9
71.01260	2.2
73.02828	0.4
73.55678	0.3
74.32938	0.3
81.03371	0.4
85.02838	0.6
87.00814	0.3
89.02356	1.0
93.03368	3.6
95.01279	0.7
95.04907	0.6
96.95912	1.2
98.19711	0.6
101.02364	1.2
105.03352	0.5
107.04943	0.8
108.02106	0.4
109.02870	3.8
111.00832	0.5
113.02341	0.7
117.65080	0.3
118.97968	0.4
119.03442	0.5
119.04918	0.8
121.02876	5.6
122.03664	13.3
122.04556	0.6
123.00790	1.5
123.04543	1.6
124.01600	1.1
125.02383	0.9
131.04948	0.4
132.02124	0.9
133.02895	2.7
134.03667	0.8
135.04437	2.8
136.01581	1.6
137.02380	13.4
138.03195	0.8
139.00301	1.2
139.03960	1.0
145.02910	1.4
147.04442	0.8
149.02383	29.3
149.06032	1.1
150.03169	100.0
151.00316	6.7
151.03859	4.9
152.01082	1.3
152.04752	3.6
153.01901	1.1
153.05539	0.6
158.03711	0.4
159.04413	1.0
161.02371	3.9
161.04486	0.5
162.03165	1.1
163.03981	1.0
164.04744	12.5
165.01915	3.0
165.05525	97.6
166.02672	23.0
166.05817	4.1
167.03421	3.0
173.02435	0.5
174.03181	0.4
175.03964	2.9
177.01888	1.2
177.05504	2.5
178.02686	1.1
179.03502	2.3
179.05614	0.3
179.07092	8.0
180.04240	6.9
180.07529	0.7
181.05025	33.6
182.05348	1.1
184.03731	1.3
187.03952	3.1
189.01909	0.4
189.05394	0.3
190.02707	0.8
190.06319	1.0
191.03467	1.1
192.04266	1.0
193.05070	2.4
194.05818	0.7
195.06609	59.6
196.06921	2.3
202.06451	0.9
203.03516	0.7
204.04248	0.6
205.05034	6.8
205.08701	0.6
206.05795	1.2
207.06587	0.8
219.06693	1.0
220.07404	5.2
221.08092	1.0
225.07610	1.7
233.08206	0.5
235.09709	0.4
239.03311	0.4
266.05811	0.5
267.03098	0.5
272.00351	0.4
282.05472	0.8
297.07584	0.5
309.67932	0.4
310.08292	0.4
314.07764	0.5
315.08627	0.9
316.09711	0.4
323.09326	0.5
325.07269	0.6
329.10352	1.6
339.08893	0.6
339.12527	0.5
340.09595	0.4
341.10471	0.7
347.14905	1.9
348.15256	0.4
355.12048	1.1
356.12619	0.5
357.09753	0.5
359.11450	0.8
371.11316	0.6
372.12222	1.1
373.13016	0.5
383.13443	1.3
385.13031	0.6
386.13834	0.8
387.10773	3.9
387.14700	5.5
388.11572	1.2
399.14557	0.4
402.13251	3.7
403.14050	2.9
415.14252	0.6
416.14841	2.7
417.15622	48.9
418.15945	5.0
489.17099	0.3
505.15018	0.6
517.15619	0.5
520.17792	0.8
535.16882	2.2
536.15875	0.5
544.02417	0.4
550.18579	1.5
565.20905	62.5
566.21216	10.4
583.22003	1.8
584.22559	0.5
595.21832	2.8
596.22229	0.8
613.23022	50.0
614.23291	7.8
775.28217	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	769.2005
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01271	0.4
63.02285	0.9
65.00208	1.5
67.78426	0.4
69.64870	2.8
83.01283	1.1
101.03869	0.6
107.01279	2.4
108.02074	0.5
109.02855	0.4
112.84499	0.4
117.03358	2.8
119.04922	2.7
125.02382	0.7
133.02872	0.7
134.03575	0.5
135.04401	0.3
135.18921	0.4
143.04930	0.7
145.02879	8.0
147.00858	0.6
148.01599	0.5
151.00305	8.5
152.01044	0.6
155.04939	0.8
157.02928	0.7
159.04425	0.7
161.02348	1.9
163.00333	0.6
163.03922	2.2
164.01074	0.7
167.04962	0.6
169.01402	1.0
169.02893	0.8
171.04439	1.8
175.04033	0.6
178.99814	2.4
179.03426	0.4
182.03615	0.4
183.04491	2.6
185.02385	0.5
187.03981	1.5
198.03088	0.5
199.03999	8.4
200.04404	0.9
201.01924	1.3
203.03474	1.0
211.04024	1.9
215.03477	3.5
226.02748	0.9
227.03485	11.3
227.06972	0.5
228.03926	0.7
229.01485	0.7
242.02235	5.2
243.03011	36.2
244.03439	2.3
245.01013	0.4
254.02187	0.4
255.03032	18.9
255.62907	0.4
256.03497	1.7
257.04590	4.7
270.01736	5.0
271.02527	50.4
272.02924	3.3
284.03320	4.5
285.04126	10.8
286.04874	5.0
287.05463	1.2
298.04816	0.4
299.02032	100.0
300.02628	14.9
301.03201	0.8
313.03482	2.9
314.04391	79.8
315.05023	16.4
316.05426	0.8
605.14056	0.6
623.15033	1.0
699.45007	0.4
769.19995	87.1
770.20386	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	761.3707
Annotation	Unknow
Peak:m/z	Relative Intensity
69.56383	4.7
71.01273	1.4
74.44128	0.6
93.03326	0.9
96.99222	1.1
98.19798	1.1
116.59771	0.7
117.03378	11.9
119.04977	2.2
119.83514	0.6
121.02860	1.3
123.04455	0.9
145.02888	45.1
146.03262	2.4
147.04453	0.7
153.12846	0.8
163.03960	1.4
169.06509	0.7
183.41724	0.6
210.06850	15.6
211.07635	100.0
212.07961	7.0
251.12833	2.5
277.21655	0.8
281.24936	0.8
297.15027	3.5
299.16547	8.2
315.16034	2.2
369.17285	3.5
413.16068	1.1
461.19739	14.8
462.20178	2.6
549.28717	42.9
550.28986	6.6
715.61829	0.8
761.37067	28.8
762.37201	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	765.3564
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	0.9
60.99192	15.9
71.01266	0.9
71.58179	0.4
87.00774	2.1
88.00298	3.6
88.01141	0.3
88.98698	100.0
89.02335	10.7
89.99049	1.1
119.04967	0.6
133.02861	0.3
145.02902	0.9
161.02397	0.6
163.03958	0.6
171.38501	0.2
176.50772	0.2
177.01823	0.3
179.05664	0.3
207.10217	0.6
211.07613	0.9
225.11346	0.4
251.13080	0.3
253.09361	0.4
277.21869	0.5
299.16556	0.3
397.13754	1.2
427.14435	0.4
515.23187	0.6
727.31396	0.9
746.84515	0.4
747.34180	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.3049
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01768	1.6
58.00478	1.3
59.01266	16.3
61.98699	3.3
62.82558	0.9
71.01272	18.4
72.99192	2.7
73.02834	4.5
83.01279	2.9
85.02860	4.9
85.99985	1.5
87.00761	2.9
88.98712	1.5
89.02327	6.9
95.01257	1.4
96.95908	1.5
99.00800	2.1
101.02350	11.9
111.00784	1.6
113.02357	5.2
119.03416	2.7
119.04929	1.4
123.04443	1.0
125.02354	1.6
132.02142	1.2
133.02853	3.4
135.04439	3.2
137.02356	2.0
141.01871	0.8
145.02960	0.9
149.06033	2.1
150.03105	1.8
151.03952	2.3
159.04448	0.9
160.01593	1.5
161.02403	6.9
161.05963	0.9
165.05473	2.3
171.04495	0.9
177.07829	0.8
179.03448	3.2
179.05553	1.4
180.04082	1.3
180.08014	1.0
187.03963	1.0
194.05807	1.0
195.04520	1.1
195.06503	1.1
195.10385	1.1
197.05875	1.1
209.08093	1.4
212.04854	1.8
223.09769	1.4
225.05623	3.5
226.06212	1.6
227.07132	3.1
239.07231	0.9
240.04286	12.5
240.07883	4.4
241.04984	5.7
253.04997	1.0
255.06664	35.2
256.07333	7.3
269.04666	1.1
270.05710	1.4
270.09030	28.9
271.09811	16.9
271.61493	0.9
283.06125	1.2
285.04135	1.8
285.07733	1.7
296.06940	1.4
297.07675	2.0
298.08255	1.5
299.09253	1.7
300.10147	1.8
301.10870	30.1
302.11264	4.5
310.08609	1.7
311.09167	7.3
312.10062	2.9
313.10849	5.8
314.11197	1.2
325.10861	2.8
326.11548	2.1
327.12357	1.0
329.10226	4.2
341.10431	4.7
342.11002	2.8
343.08191	1.9
343.12036	3.6
344.09164	1.8
344.12704	4.8
345.13428	3.3
355.11942	1.1
356.12732	6.0
357.13455	5.0
359.15045	10.7
360.15265	1.1
370.10623	1.6
371.15045	5.3
372.15253	1.3
373.12915	2.6
381.67068	0.9
384.12228	0.9
385.13440	4.4
387.14822	1.1
399.14603	1.4
403.14261	1.3
433.92520	1.0
491.15823	5.5
503.15710	15.8
504.15790	1.5
506.17984	16.5
507.18661	2.8
518.17957	8.3
519.17877	1.1
521.20374	67.2
522.20612	10.1
533.20416	100.0
534.20654	13.7
551.21515	6.7
552.21960	1.4
731.29541	2.7
743.29285	3.8
751.78308	1.2
761.30426	60.7
762.30811	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	768.4197
Annotation	Unknow
Peak:m/z	Relative Intensity
58.05955	0.9
58.62563	0.9
59.01252	6.0
61.98719	1.2
63.78851	0.8
66.56069	1.0
71.01260	2.7
71.58930	1.9
81.03309	1.0
83.01286	1.4
83.04943	1.2
89.02326	1.6
91.03908	0.8
97.02847	3.0
101.02345	3.5
109.06501	14.9
113.02342	1.5
120.90492	1.0
129.01837	1.0
135.08109	1.3
151.35893	1.0
161.04410	1.0
161.09644	1.0
163.11247	8.3
181.12340	1.1
189.09171	1.9
207.10251	62.2
208.10583	3.0
209.11760	1.1
225.11322	16.8
226.11624	1.3
235.08255	7.1
253.09346	12.0
277.21774	100.0
278.22113	11.1
443.19205	4.2
461.20258	3.5
513.30786	1.5
703.40729	1.6
721.41907	33.4
722.41974	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	768.4195
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34872	1.0
59.01266	9.5
61.98717	4.1
67.74888	1.0
69.37228	0.8
71.01279	4.1
73.02827	1.2
73.11014	0.8
81.03344	1.3
83.04926	2.7
85.02860	1.5
87.00781	1.2
89.02350	3.7
97.02856	3.4
99.00758	1.4
101.02347	4.0
109.06503	26.9
110.03656	1.3
110.06940	1.2
113.02364	2.9
119.03368	0.9
121.06516	1.0
135.08078	2.0
161.04533	1.4
163.11235	16.3
164.11627	1.0
176.12550	0.9
181.12398	1.9
189.09169	3.0
207.10258	100.0
208.10522	6.9
209.11728	1.5
225.11348	31.0
226.11578	1.3
235.08273	3.8
249.11359	1.3
253.09340	17.7
277.21790	80.2
278.22208	8.6
299.15176	1.1
441.33829	1.9
443.19348	7.1
461.20309	14.1
462.20831	2.1
467.31927	1.1
617.04279	1.1
703.41003	2.9
721.41821	42.3
722.42120	10.1
767.33685	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.4107
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	2.7
61.98684	2.2
71.01260	5.5
83.04894	2.1
98.19778	5.2
176.07031	2.1
209.11824	100.0
210.12143	5.0
227.12886	20.9
235.08167	2.2
253.09337	8.4
273.38644	1.9
277.21768	59.3
278.22089	3.9
301.01102	1.9
445.20807	7.9
559.24298	2.3
759.41266	24.8
760.41687	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	759.4108
Annotation	Unknow
Peak:m/z	Relative Intensity
56.21416	1.6
56.86733	1.1
57.81356	1.1
59.01260	1.6
66.99734	1.0
67.15682	1.4
69.49683	10.5
71.01267	1.3
81.24373	1.2
85.49010	1.1
98.19754	1.2
139.20135	1.3
145.02846	1.6
176.90157	1.2
209.11842	70.0
210.12154	4.0
227.12927	20.6
228.13416	1.7
235.08217	9.9
238.27457	1.3
253.09273	9.0
277.21796	100.0
278.22095	9.7
348.20166	1.3
445.20715	2.0
513.30719	4.4
713.04932	1.4
759.41058	31.5
760.41626	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	761.3049
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01768	1.6
58.00478	1.3
59.01266	16.3
61.98699	3.3
62.82558	0.9
71.01272	18.4
72.99192	2.7
73.02834	4.5
83.01279	2.9
85.02860	4.9
85.99985	1.5
87.00761	2.9
88.98712	1.5
89.02327	6.9
95.01257	1.4
96.95908	1.5
99.00800	2.1
101.02350	11.9
111.00784	1.6
113.02357	5.2
119.03416	2.7
119.04929	1.4
123.04443	1.0
125.02354	1.6
132.02142	1.2
133.02853	3.4
135.04439	3.2
137.02356	2.0
141.01871	0.8
145.02960	0.9
149.06033	2.1
150.03105	1.8
151.03952	2.3
159.04448	0.9
160.01593	1.5
161.02403	6.9
161.05963	0.9
165.05473	2.3
171.04495	0.9
177.07829	0.8
179.03448	3.2
179.05553	1.4
180.04082	1.3
180.08014	1.0
187.03963	1.0
194.05807	1.0
195.04520	1.1
195.06503	1.1
195.10385	1.1
197.05875	1.1
209.08093	1.4
212.04854	1.8
223.09769	1.4
225.05623	3.5
226.06212	1.6
227.07132	3.1
239.07231	0.9
240.04286	12.5
240.07883	4.4
241.04984	5.7
253.04997	1.0
255.06664	35.2
256.07333	7.3
269.04666	1.1
270.05710	1.4
270.09030	28.9
271.09811	16.9
271.61493	0.9
283.06125	1.2
285.04135	1.8
285.07733	1.7
296.06940	1.4
297.07675	2.0
298.08255	1.5
299.09253	1.7
300.10147	1.8
301.10870	30.1
302.11264	4.5
310.08609	1.7
311.09167	7.3
312.10062	2.9
313.10849	5.8
314.11197	1.2
325.10861	2.8
326.11548	2.1
327.12357	1.0
329.10226	4.2
341.10431	4.7
342.11002	2.8
343.08191	1.9
343.12036	3.6
344.09164	1.8
344.12704	4.8
345.13428	3.3
355.11942	1.1
356.12732	6.0
357.13455	5.0
359.15045	10.7
360.15265	1.1
370.10623	1.6
371.15045	5.3
372.15253	1.3
373.12915	2.6
381.67068	0.9
384.12228	0.9
385.13440	4.4
387.14822	1.1
399.14603	1.4
403.14261	1.3
433.92520	1.0
491.15823	5.5
503.15710	15.8
504.15790	1.5
506.17984	16.5
507.18661	2.8
518.17957	8.3
519.17877	1.1
521.20374	67.2
522.20612	10.1
533.20416	100.0
534.20654	13.7
551.21515	6.7
552.21960	1.4
731.29541	2.7
743.29285	3.8
751.78308	1.2
761.30426	60.7
762.30811	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	759.325
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01785	1.0
59.00990	1.6
59.01265	18.6
61.98698	1.4
69.50334	6.5
69.50747	1.5
71.00911	1.0
71.01276	16.2
72.99217	1.9
73.02838	6.3
75.00756	1.2
82.13119	0.9
83.01257	1.2
84.90654	0.9
85.02842	4.6
87.00767	7.0
87.04413	3.9
89.02321	7.5
96.95901	0.8
101.02345	11.3
103.03922	1.3
109.58912	0.8
113.02338	4.7
115.03915	3.2
117.03352	1.8
119.03400	3.8
119.04960	1.1
119.48108	0.9
125.60099	0.8
131.03461	4.9
133.02878	1.6
138.03125	1.5
143.03412	4.2
145.02884	5.2
145.04976	1.2
150.03120	2.6
161.02438	2.4
171.10175	1.6
187.07706	1.1
205.07062	2.4
257.08273	1.3
263.65814	1.1
299.16638	12.4
331.15314	2.0
421.92554	1.0
427.21317	2.3
433.20343	15.1
434.20740	2.3
467.30664	0.9
475.46838	1.0
613.26740	6.7
635.15594	1.1
759.32507	100.0
760.32892	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	759.3252
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	0.9
57.03333	0.9
58.00467	1.5
59.01266	20.1
66.92286	0.5
66.98743	0.4
68.51727	0.4
69.03345	1.2
69.96629	1.2
69.97021	0.8
71.01270	17.6
72.99203	2.8
73.02837	7.8
75.00764	0.7
78.95785	0.9
79.95640	0.9
83.01273	1.5
85.02838	8.8
85.99991	2.0
87.00771	10.0
87.04418	3.4
89.02345	6.8
95.01257	0.8
96.95912	21.2
96.96845	1.0
97.02862	0.4
99.00748	0.8
101.02342	9.9
103.03903	1.9
113.02361	6.9
115.03934	3.6
117.03355	1.3
119.03436	2.4
119.04926	0.7
121.02783	0.7
125.02377	0.5
131.03426	7.8
138.03078	0.4
143.03436	7.1
145.02899	6.0
145.04979	1.4
150.03154	1.5
152.51350	0.5
163.06061	1.8
164.57127	0.4
171.10217	0.7
182.49936	0.4
205.07138	4.7
209.11424	0.5
253.08536	0.5
299.16568	8.6
300.16824	0.6
336.26233	0.4
433.20221	9.8
434.20563	0.8
451.21204	1.3
613.26599	3.4
759.32477	100.0
760.32819	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	757.4403
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00201	0.7
55.18805	0.6
59.01266	7.0
61.98723	1.3
66.75054	0.5
71.01269	100.0
71.59019	0.6
72.01601	1.5
73.02848	1.4
78.95770	0.7
83.04916	0.6
84.02106	0.5
85.02852	1.3
87.00764	1.3
87.62952	0.6
89.02343	2.1
97.02852	0.7
99.00808	0.6
101.02357	3.4
104.93206	0.5
109.06528	3.2
113.02353	1.9
114.67628	0.6
125.09644	1.8
127.11196	2.1
153.56372	0.7
154.61034	0.6
161.04475	1.7
163.11189	2.0
171.10225	75.6
172.10561	4.1
181.08632	1.4
181.12277	1.4
199.09723	8.9
199.13361	1.3
200.10051	0.7
201.11316	8.0
207.10249	12.3
217.14403	0.9
225.11307	7.6
235.08232	4.6
243.12460	1.0
253.09302	11.3
254.09525	0.7
277.21774	84.7
278.22095	8.4
339.73633	0.7
435.18857	0.7
461.20230	2.3
721.41522	2.7
722.42078	0.9
732.52136	0.7
739.42798	0.8
757.43756	5.5
758.44055	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.4403
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00201	0.7
55.18805	0.6
59.01266	7.0
61.98723	1.3
66.75054	0.5
71.01269	100.0
71.59019	0.6
72.01601	1.5
73.02848	1.4
78.95770	0.7
83.04916	0.6
84.02106	0.5
85.02852	1.3
87.00764	1.3
87.62952	0.6
89.02343	2.1
97.02852	0.7
99.00808	0.6
101.02357	3.4
104.93206	0.5
109.06528	3.2
113.02353	1.9
114.67628	0.6
125.09644	1.8
127.11196	2.1
153.56372	0.7
154.61034	0.6
161.04475	1.7
163.11189	2.0
171.10225	75.6
172.10561	4.1
181.08632	1.4
181.12277	1.4
199.09723	8.9
199.13361	1.3
200.10051	0.7
201.11316	8.0
207.10249	12.3
217.14403	0.9
225.11307	7.6
235.08232	4.6
243.12460	1.0
253.09302	11.3
254.09525	0.7
277.21774	84.7
278.22095	8.4
339.73633	0.7
435.18857	0.7
461.20230	2.3
721.41522	2.7
722.42078	0.9
732.52136	0.7
739.42798	0.8
757.43756	5.5
758.44055	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.2884
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10966	0.5
57.03314	0.5
58.00471	0.8
59.01265	15.6
60.99179	0.7
61.98719	2.3
67.01762	0.4
70.15707	2.0
71.01272	15.4
72.99174	1.2
73.02829	1.0
83.01311	0.8
84.02082	0.5
85.02839	3.5
85.28502	0.4
87.00779	1.7
88.98712	2.3
89.02342	20.7
93.03352	0.7
94.58792	0.4
95.01284	1.6
96.95906	1.0
99.00776	0.7
101.02357	8.1
108.02071	1.6
109.02869	2.7
112.20016	0.4
113.02361	6.9
116.92819	0.6
119.03417	8.7
121.02871	2.5
122.03656	1.1
123.00823	2.1
123.04424	1.2
124.01607	1.3
125.02366	1.9
131.03407	1.2
133.02904	1.4
134.03656	0.9
135.04472	2.6
136.01596	52.4
137.02435	8.8
139.00273	0.5
139.03963	1.5
143.03459	2.8
145.02872	1.2
149.02405	1.3
149.04498	3.5
149.05980	1.6
150.03157	1.0
151.00340	12.1
151.03952	66.9
152.00880	0.8
152.04294	2.3
159.04471	1.2
160.05229	1.8
161.02417	5.1
161.04486	2.8
161.05881	0.5
162.03104	0.9
163.03975	2.0
164.04721	1.3
165.01901	0.9
165.05533	0.5
166.02672	37.8
167.03360	3.1
173.02264	0.6
174.03242	0.5
175.03970	1.7
175.07603	1.6
176.04750	1.2
177.01959	2.3
177.05537	1.8
179.03506	1.4
179.05579	9.1
179.07129	1.1
181.05037	51.7
182.05345	3.2
187.03975	0.9
189.05482	1.8
190.02757	0.7
190.06308	2.2
191.03476	1.8
191.07042	0.9
192.04256	0.8
193.04961	0.9
195.02905	0.9
195.06569	0.7
201.36037	0.4
203.03465	0.7
204.04260	0.4
205.05113	2.5
205.08685	1.5
206.05888	2.5
207.06573	1.0
209.04576	0.6
209.08200	1.3
220.07399	1.3
221.08185	4.7
233.08247	0.7
271.06238	0.5
279.06454	0.5
294.05270	0.8
297.07767	1.1
299.09274	0.5
309.07748	1.5
311.09341	0.6
324.10156	1.1
327.08774	1.2
329.10492	2.5
339.08517	0.5
341.08823	0.5
342.11191	4.5
352.97653	0.5
357.09784	12.5
357.13580	19.7
357.35025	0.5
358.10181	1.3
358.14130	2.2
369.13544	3.0
371.13815	1.7
372.12155	11.0
373.12650	1.9
387.14587	100.0
388.14972	10.7
399.14871	0.5
401.16040	0.9
417.15588	4.7
418.15891	0.6
567.22693	4.4
568.22418	1.1
579.22119	0.9
597.23517	28.9
598.23883	5.7
748.49585	0.5
759.28320	4.5
760.28711	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.3954
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79915	13.8
59.01247	61.1
61.98711	24.1
68.74822	13.0
71.57098	18.7
72.67873	11.9
73.45330	14.9
79.29889	12.8
80.15957	14.5
88.05128	13.8
131.40933	12.7
132.58224	14.9
137.93246	12.1
141.01570	33.2
145.02864	17.7
193.75014	18.0
207.10242	19.8
211.07581	28.7
225.11401	63.5
261.43890	14.1
270.34680	14.8
277.21808	54.9
278.21948	21.1
461.20242	36.3
637.31818	15.6
721.42993	19.7
757.39429	100.0
758.39960	30.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.4396
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00203	0.6
59.01264	11.9
59.67681	0.6
64.24178	0.7
69.03335	0.6
70.73748	0.6
71.01270	72.8
72.01614	1.2
73.02847	1.9
83.04909	0.7
83.76527	0.5
85.02847	1.3
85.74615	0.6
87.00780	1.5
89.02352	1.5
95.01289	0.6
97.02844	1.4
99.00753	0.7
101.02341	3.3
109.06497	3.1
113.02351	1.9
125.02359	0.5
125.09623	2.2
127.07574	0.7
127.11210	1.7
135.08041	0.8
139.07631	0.5
141.01636	3.9
145.02893	0.8
145.05051	1.1
153.09145	0.8
155.10739	0.7
161.04559	1.4
163.11206	2.3
171.10223	45.9
172.10580	2.0
181.12283	1.4
199.09717	9.3
199.13419	1.4
201.11304	5.5
202.11606	0.6
207.10255	12.0
208.10547	1.4
211.07683	2.0
225.11288	7.3
235.08220	6.1
243.12347	0.9
250.59589	0.6
253.09357	9.5
254.09555	0.8
259.20657	0.7
277.21774	100.0
278.22137	10.2
315.16254	0.8
393.27936	0.7
404.87469	0.6
416.76816	0.7
417.17865	0.8
448.69611	0.7
461.20303	1.4
491.69443	0.6
513.30920	0.8
637.31158	1.3
695.40125	1.3
721.41486	3.2
722.42078	1.0
739.42865	1.1
757.44507	5.9
758.43951	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.4241
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	0.5
59.01270	4.1
61.98700	0.7
65.19002	0.5
70.08470	0.5
71.01266	4.0
71.59190	0.5
71.59552	0.9
73.02821	0.8
74.48254	0.5
80.02582	0.7
81.03355	0.9
83.01273	0.6
83.04915	3.9
83.92871	0.5
85.02835	1.4
87.00765	0.7
89.02335	3.5
95.04956	0.8
96.95883	0.5
97.02862	1.0
101.02348	3.4
109.06536	0.8
111.08083	4.9
113.02368	2.1
125.09623	0.8
145.02910	0.9
153.12767	0.9
161.02405	0.7
161.04483	1.4
163.11220	3.6
165.12828	3.3
169.12263	1.9
171.10213	4.1
179.05656	0.8
181.12300	1.3
183.13918	0.6
185.11861	0.9
191.10748	1.2
197.11813	28.5
198.12073	1.5
199.13367	2.1
207.10318	0.8
209.11821	100.0
210.12154	5.9
211.13365	4.4
225.11278	1.3
227.12874	13.2
228.13255	0.5
235.08249	2.9
247.20815	0.7
251.16310	0.7
253.09335	13.8
254.09567	1.3
263.20218	1.1
265.18295	0.6
273.18753	0.8
291.19760	16.4
292.20145	2.0
293.21222	1.3
294.97888	0.7
309.20795	46.3
310.21057	4.0
356.72818	0.6
370.10013	0.6
441.01431	1.1
445.20789	0.7
479.81549	0.6
495.98669	0.6
545.29822	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.3953
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	36.4
61.98716	52.7
65.38987	8.4
68.80917	8.6
89.02361	9.5
95.17156	9.3
106.63768	9.6
109.06453	15.8
141.01588	12.1
163.11179	13.3
199.13373	17.2
207.10216	92.9
211.07628	9.5
225.11253	13.4
277.21780	100.0
278.22058	11.5
287.03644	9.3
292.46710	9.0
333.57648	8.8
443.19547	17.2
689.92047	10.4
721.42023	49.5
757.39374	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	757.3957
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01260	16.1
61.98722	19.0
70.52023	6.2
71.58810	5.9
71.59229	5.9
109.06501	13.6
141.01672	7.4
163.11272	13.1
183.87531	6.2
189.09245	8.5
207.10263	100.0
211.07603	6.2
225.11317	20.9
253.09334	14.5
277.21790	82.7
278.22183	10.7
443.19513	7.2
461.20309	12.9
721.41913	51.0
722.41742	10.7
757.39032	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	755.2423
Annotation	Markhamioside C
Peak:m/z	Relative Intensity
54.44909	0.3
59.01266	5.3
69.03362	0.3
70.06670	0.3
71.01276	4.5
71.58024	0.5
72.99187	0.5
73.02840	1.0
76.66348	0.3
83.01316	0.5
85.02847	1.6
87.00771	1.1
87.04392	0.5
89.02332	3.3
96.95916	3.5
101.02343	3.0
103.03924	0.5
104.02578	0.3
105.03381	0.7
113.02357	2.3
115.03925	0.4
117.03373	1.1
119.03436	1.6
119.04911	0.3
123.04452	1.4
125.02362	0.8
131.03452	1.0
131.46899	0.3
132.02107	2.0
133.02882	36.2
134.03308	1.0
135.04449	16.7
136.04776	0.6
143.03435	1.2
145.02919	1.1
153.05536	1.0
160.01604	0.4
161.02391	100.0
162.02736	4.1
163.03963	0.5
163.06007	0.5
175.03920	0.4
177.01878	0.3
179.03467	3.7
184.95139	0.3
191.05510	0.5
205.07135	0.8
207.06691	0.3
208.20032	0.3
243.02979	0.3
249.07591	0.6
258.67389	0.3
261.07590	0.5
271.02588	0.5
285.04071	0.3
293.06805	0.4
297.09839	0.5
300.02905	0.8
315.10931	5.1
323.75754	0.3
401.02069	0.3
443.15906	0.5
447.14969	0.5
461.16705	6.0
462.17081	0.8
487.14627	1.8
578.64343	0.3
593.20929	0.9
623.19958	41.1
624.20300	6.8
755.24225	20.9
756.24542	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	757.3954
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01258	55.9
61.98722	58.7
71.38764	39.2
211.07681	47.1
225.11436	48.5
244.65746	23.3
277.21829	100.0
315.15961	29.4
437.47855	26.0
721.41394	52.0
757.39423	84.5
781.26770	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	755.206
Annotation	Quercetin 3-rhamnosyl-(1->2)-rhamnosyl-(1->6)-glucoside
Peak:m/z	Relative Intensity
55.59816	0.2
59.01264	1.1
63.02290	0.6
65.00220	0.9
70.44497	0.8
71.01268	1.5
71.01606	0.2
73.02825	0.3
73.46797	0.3
83.01296	0.6
85.02872	0.3
89.02348	0.9
91.01762	0.3
101.02369	0.8
107.01283	2.0
108.02076	1.4
121.02876	0.7
123.04451	0.3
124.01573	0.4
125.02402	0.4
131.03456	0.6
132.02080	0.3
133.02884	5.4
134.03180	0.4
135.00813	0.8
135.04437	2.0
148.01610	1.4
149.02403	0.3
149.04576	0.2
151.00305	4.8
152.01001	0.3
153.01869	0.3
153.05397	0.3
161.02386	13.6
162.02733	0.5
163.00345	1.0
163.04007	0.2
164.01134	0.7
169.01353	0.4
178.99832	4.1
179.03418	0.2
183.04443	0.4
187.03926	0.4
191.05573	1.2
193.01331	0.3
198.03108	0.3
199.03963	1.2
201.02007	0.5
203.03598	0.3
211.03951	0.5
215.03540	1.0
216.04271	0.8
226.02731	1.8
227.03456	3.1
228.04016	0.3
242.02159	0.3
243.03014	12.4
244.03612	1.5
244.05782	0.3
254.02197	2.1
255.03020	29.7
256.03369	2.4
271.02527	66.4
272.02975	6.4
273.03720	0.3
283.02573	0.2
299.02090	3.1
300.02802	100.0
301.03302	13.5
302.04053	0.3
313.03476	0.4
314.04279	0.4
315.11069	0.3
337.09290	0.3
343.04379	0.3
447.15189	0.4
479.48584	0.2
489.10059	0.3
533.96948	0.2
593.14001	0.5
593.22052	0.4
609.14783	0.3
755.20654	68.3
756.20996	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	755.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
55.30416	0.5
57.03320	0.7
59.01258	7.3
61.98705	1.2
70.79883	1.5
70.80245	1.3
71.01268	7.7
73.02837	1.8
83.01289	0.9
85.02841	3.9
87.00785	2.9
88.98711	0.7
89.02353	3.5
93.03342	1.4
95.01298	0.8
96.95899	1.4
99.00786	1.0
101.02341	4.8
103.19469	0.6
107.01227	0.7
108.02071	1.0
112.51209	0.7
113.02367	5.0
116.92788	0.7
117.03365	1.5
119.03423	2.0
119.04946	1.5
121.97150	0.6
123.00681	0.6
123.04394	0.6
125.02405	0.7
131.03456	2.0
132.02086	2.2
133.02879	38.3
134.03247	1.4
135.04437	8.0
137.02409	0.9
138.50536	0.6
143.03429	1.7
145.02925	3.2
147.04427	0.9
148.05257	0.7
149.06024	8.6
150.03159	0.6
151.00301	2.3
159.04532	0.7
161.02385	100.0
162.02710	4.4
163.03964	1.2
165.05461	1.3
173.06117	1.0
178.99696	0.7
179.03438	4.5
187.03979	1.3
187.07616	4.3
191.05670	0.6
201.05521	0.7
202.06331	6.6
203.03531	1.3
203.06650	0.7
205.07138	0.7
219.10324	0.6
222.60065	0.7
227.03456	1.9
231.10260	8.1
232.10695	0.9
243.03065	2.6
255.02991	7.4
267.06625	0.9
271.02533	12.5
272.02988	2.0
283.52615	0.8
284.03229	1.5
285.03885	0.9
299.02133	0.7
300.02802	26.3
301.03403	5.4
311.11325	1.2
411.16516	4.5
557.22443	5.7
583.20593	2.6
609.14758	7.6
610.14807	1.2
719.25696	67.6
720.25946	13.6
755.18268	9.4
756.19232	2.9
778.40466	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.2422
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03336	0.7
59.01272	5.7
65.00222	2.5
69.92352	2.1
71.01268	8.4
72.99205	1.2
73.02851	2.3
83.01299	1.3
85.02847	2.8
87.00792	2.3
89.02337	3.3
93.03359	1.9
95.01277	1.4
96.43288	0.7
97.02874	0.6
98.20499	0.8
99.00791	1.4
101.02354	3.9
107.01311	2.0
108.02074	1.5
109.02893	1.1
110.00022	3.1
111.00822	1.6
113.02372	1.8
117.03385	1.9
119.03474	1.1
120.80363	0.6
123.00817	1.2
123.04444	2.0
125.02396	3.1
131.03467	3.3
132.02104	2.2
133.02887	39.8
134.03247	1.1
135.00835	0.9
135.03419	1.1
135.04446	18.2
135.05444	1.3
136.04790	2.1
136.98720	1.4
137.02368	1.1
137.04967	0.7
137.99515	0.9
139.00334	5.0
143.03485	0.8
143.04973	0.9
145.02899	1.4
145.05067	0.7
148.01672	0.8
149.04507	0.9
151.00314	6.0
152.01076	2.6
153.01868	0.6
159.04437	0.7
161.02399	100.0
162.02757	5.3
163.00261	1.7
164.01080	1.0
165.01845	0.6
165.64949	0.5
165.99028	4.9
166.99794	2.6
171.04456	2.4
173.05997	0.6
175.03929	0.7
178.99916	3.0
179.03464	6.6
180.03830	1.4
182.03705	0.8
183.04436	1.7
187.03970	1.5
191.05582	1.8
193.98611	0.9
194.99382	0.7
198.03195	2.3
199.03998	2.1
200.04585	0.6
203.03445	1.1
211.04028	2.0
215.03436	2.3
216.04245	1.4
226.02757	2.7
227.03477	7.5
228.04050	1.9
239.03471	0.9
243.03030	11.2
244.03688	2.4
254.02339	3.4
255.03027	29.6
256.03583	3.3
257.04474	1.6
261.07745	1.1
267.06516	0.6
271.02548	38.8
272.03232	14.9
273.03848	1.8
282.01718	1.7
283.02524	14.7
284.03183	3.2
285.04129	3.7
299.02002	3.5
300.02811	58.2
301.03467	14.3
315.10904	2.2
327.05222	1.0
332.31995	0.8
335.07916	3.7
336.08105	1.6
337.08374	1.3
379.66623	0.7
447.15292	2.6
461.16449	2.2
522.93774	0.7
591.13495	0.9
593.21674	5.3
594.21570	0.7
619.18134	2.2
623.20038	13.6
624.20142	2.1
737.19281	1.5
755.21918	86.6
756.21790	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	755.1847
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	0.5
63.02281	0.4
65.00205	0.7
69.27525	1.9
69.27928	0.4
71.01271	0.3
72.49400	0.2
83.01279	0.4
85.02831	0.3
89.96618	0.2
101.02358	0.2
107.01288	1.4
108.02085	1.4
109.02841	0.3
117.03300	0.3
119.04876	0.2
121.02833	0.4
124.01607	0.3
133.02884	1.7
135.00797	0.6
135.04424	0.4
145.02892	0.8
147.00932	0.2
148.01596	1.2
149.05981	0.3
151.00313	4.4
161.02396	4.0
163.00294	1.0
163.03952	0.4
164.01067	0.7
169.01370	0.5
178.99847	3.2
183.04350	0.2
187.03851	0.2
187.07599	0.2
192.00584	0.5
198.03165	0.2
199.03915	0.8
201.02040	0.2
202.06332	0.3
203.03470	0.4
211.03947	0.7
215.03540	0.7
216.04277	0.6
226.02692	1.8
227.03494	2.6
228.03998	0.3
229.01489	0.4
229.05222	0.3
231.10266	0.4
243.03017	10.5
244.03455	1.2
254.02277	2.3
255.03018	27.0
256.03430	1.8
271.02530	55.1
272.03036	6.6
273.03854	0.6
284.03329	0.3
299.02029	2.3
300.02802	100.0
301.03275	12.0
302.03903	0.6
304.27472	0.2
314.05054	0.2
335.40271	0.2
489.10486	0.4
557.22308	0.4
609.14703	14.5
610.15106	2.2
639.99567	0.2
719.25757	2.8
720.26001	0.5
755.18414	42.6
756.18726	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	755.1849
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01267	3.1
63.02282	0.7
71.58058	0.5
73.02837	1.5
83.01279	1.2
85.02854	1.3
87.00781	1.3
89.02343	0.9
93.03355	1.3
96.95916	3.2
107.01321	1.7
109.02848	1.1
113.02373	0.6
117.03397	1.1
121.02882	0.9
125.02308	0.6
132.02106	1.8
133.02884	14.0
134.03444	1.6
135.00836	0.6
135.04453	17.2
136.04797	1.7
137.02333	1.4
145.02907	2.1
149.06006	3.4
150.03186	2.1
151.00287	4.8
151.03612	0.8
159.04465	0.8
161.02396	38.0
162.02797	5.1
163.00328	1.4
163.14671	0.7
164.01067	0.7
169.01355	0.7
171.04463	0.5
174.40033	0.5
175.03967	0.8
177.05516	0.7
178.99828	1.7
179.03467	9.7
180.03877	1.2
183.04491	1.2
187.03932	1.2
191.05595	1.7
200.04715	0.6
203.03503	1.9
211.03964	2.8
215.52461	0.5
221.04544	0.6
227.03499	39.2
228.03947	3.6
229.05084	1.9
239.03583	1.1
241.04964	0.6
250.49274	0.5
255.03032	73.7
256.03613	10.9
257.04553	2.0
267.06662	0.9
271.02615	1.6
283.02396	3.1
284.03326	100.0
285.03992	25.1
286.04358	2.1
300.02881	3.3
307.08337	0.9
323.08017	0.8
327.05301	0.6
443.15540	0.8
469.13748	1.1
549.16858	0.8
563.13818	0.7
593.15472	1.6
613.26764	0.6
664.19843	2.5
710.19446	0.7
711.19934	13.4
712.19928	1.6
755.18427	98.2
756.18701	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	755.2059
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01048	0.7
59.01275	7.0
59.85895	0.9
65.00205	2.3
71.01273	6.5
71.56342	2.0
73.02821	1.8
85.02833	2.0
87.00771	1.1
89.02328	3.1
95.01307	1.4
99.00769	1.1
101.02338	3.1
107.01304	1.6
108.02064	1.2
110.00023	4.4
111.00743	2.6
117.03358	2.2
119.03393	1.8
121.02870	1.2
123.00803	1.5
123.04385	1.1
124.01506	1.3
125.02345	1.8
131.03426	2.2
132.02052	2.1
133.02893	26.2
134.03317	1.2
135.00774	1.1
135.03557	1.3
135.04471	14.4
135.99445	0.9
136.04883	1.0
136.98737	1.3
137.02382	0.9
137.99507	1.4
139.00284	4.1
145.02895	2.4
148.01541	1.1
151.00320	6.3
152.01083	1.5
153.05466	1.6
161.02408	74.7
162.02721	3.2
163.00314	1.1
165.99046	5.9
166.99786	2.1
167.01617	1.1
171.04436	1.7
173.02361	1.2
173.05833	1.0
178.99796	3.6
179.03493	5.2
183.04420	2.3
187.03969	1.7
191.05507	0.9
198.03200	2.5
199.03934	4.1
200.04907	1.2
211.04074	1.4
215.03528	2.3
226.02731	2.2
227.03496	8.8
228.04025	1.3
229.05194	1.3
243.03058	14.0
244.03596	2.9
247.93324	1.0
254.02187	3.4
255.03026	32.0
256.03345	3.1
257.04437	1.5
269.10123	1.1
271.02554	41.8
272.03214	12.8
273.03864	1.8
283.02551	14.2
284.03070	4.1
285.04056	4.2
299.01965	3.5
300.02841	56.4
301.03455	11.0
315.10815	1.8
325.03409	1.0
447.14978	1.8
461.16705	2.6
473.07797	1.0
482.50824	0.9
593.21759	1.6
623.20093	19.1
624.20258	3.5
737.19366	1.0
755.21039	100.0
756.21295	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	755.2055
Annotation	Unknow
Peak:m/z	Relative Intensity
56.90528	0.3
57.95664	0.3
59.01262	1.3
63.02304	0.3
65.00222	0.8
69.70378	0.5
69.70789	1.4
71.01281	1.2
72.71556	0.3
83.01283	0.5
85.02872	0.4
87.00803	0.3
89.02349	0.5
93.03333	0.3
98.19798	0.6
101.02354	0.4
107.01299	1.7
108.02087	1.1
109.02856	0.5
113.02348	0.4
119.04945	1.1
121.02882	0.6
123.04436	0.4
124.01609	0.4
125.02389	0.6
131.03461	0.4
132.02126	0.4
133.02881	5.0
134.16936	0.3
135.00803	0.6
135.04466	1.9
148.01532	1.4
151.00314	5.2
152.00757	0.4
161.02386	13.2
162.02721	0.9
163.00276	0.5
164.01093	0.8
169.01378	0.6
178.99846	3.6
179.03439	0.7
191.05501	0.5
199.03957	0.9
211.03949	0.4
215.03516	0.7
216.04311	0.9
226.02765	1.7
227.03511	2.7
243.03021	9.5
244.03485	1.0
254.02107	2.3
255.03023	26.8
256.03381	2.4
271.02533	57.8
272.02979	5.9
273.03925	0.3
284.03256	0.4
299.02042	3.3
300.02814	100.0
301.03302	13.2
302.04178	0.4
313.03354	0.4
447.14926	0.4
461.16632	0.7
489.10492	0.5
566.25287	0.3
593.20740	0.8
623.20062	1.9
641.98395	0.3
707.05914	0.4
755.20612	74.6
756.20935	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	750.4088
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42368	1.0
56.46503	1.1
57.03322	1.1
59.01249	4.6
61.98692	1.6
62.45462	1.2
69.03339	1.5
69.29665	12.1
71.01259	3.9
74.43083	1.1
75.97822	1.2
85.02841	1.4
89.02328	1.6
101.02344	3.1
107.68925	1.2
108.29724	1.3
116.92762	2.9
137.09639	3.1
161.02425	2.0
174.09224	3.1
181.08655	7.1
199.09691	6.6
208.09763	2.3
218.08237	1.5
236.09280	3.8
253.09372	2.1
277.21777	35.2
278.22278	2.2
472.18350	3.7
650.62457	1.2
672.79797	1.3
732.39813	20.7
733.40472	4.9
749.86591	3.6
750.40900	100.0
751.41315	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	751.3779
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98068	0.6
55.01772	1.5
58.00483	1.4
59.01266	33.5
61.98722	6.3
69.03358	1.4
69.76883	1.6
69.77296	3.3
71.01274	29.1
71.04919	1.5
72.99202	2.9
73.02844	4.6
78.95760	0.8
81.03344	1.3
82.14039	0.8
82.74747	0.8
83.01277	2.7
85.02834	6.9
86.03210	0.7
86.06322	0.7
86.79612	0.8
87.00771	5.8
89.02339	24.4
93.03371	0.9
95.01290	1.8
97.02844	5.2
99.00780	1.7
101.02345	21.0
111.00734	0.8
113.02357	8.7
119.03419	6.7
124.01558	0.9
125.02379	10.7
131.03423	1.2
133.02843	0.7
133.04913	0.8
143.03467	3.0
143.62523	0.7
149.02448	0.9
153.18170	0.8
161.02361	1.1
161.04504	4.6
179.05582	4.3
221.06660	1.1
223.17239	1.6
225.02646	0.9
231.21196	1.1
231.46263	0.9
235.08257	9.6
235.17061	16.3
236.17421	1.0
245.06758	0.8
253.09341	1.9
259.25052	0.8
263.07703	1.1
275.20227	15.3
276.20535	1.2
277.09335	1.1
287.07898	2.2
293.21298	74.5
294.21573	6.6
305.08749	3.4
323.09979	1.3
379.12430	1.1
397.13593	100.0
398.13925	8.6
415.14648	38.1
416.14972	2.9
532.82050	0.9
691.35034	4.3
692.36462	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	752.4246
Annotation	WK 142B
Peak:m/z	Relative Intensity
59.01260	8.1
71.01263	10.1
71.57574	2.3
73.02818	2.4
83.01285	1.4
84.04419	1.8
89.02336	3.4
93.42601	1.3
95.01295	1.4
97.02816	2.5
97.06529	1.4
98.02375	5.5
101.02335	6.1
107.03665	3.3
108.04453	2.6
109.01620	7.5
111.08072	3.8
113.02335	3.6
122.06040	2.7
125.09654	2.2
139.02652	1.3
148.59372	1.3
149.09657	2.1
152.99550	1.8
158.09682	2.3
161.04550	2.0
176.10727	22.2
183.10213	22.9
187.09760	12.3
192.10286	3.6
202.08638	2.6
210.11372	11.7
220.09808	10.2
238.10861	10.9
253.09343	10.5
256.12024	8.8
277.21790	50.8
278.22159	5.2
310.29935	1.5
456.19122	2.0
474.20059	7.7
492.20923	9.9
493.21106	2.0
734.41388	24.8
734.62335	1.8
735.41595	4.2
752.42426	100.0
753.42645	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	755.1846
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01260	0.2
61.62189	0.1
63.02280	0.3
64.65195	0.1
65.00195	0.9
77.07304	0.1
83.01273	0.4
91.01780	0.1
95.01266	0.1
98.20599	0.3
102.46171	0.1
107.01284	1.5
108.02089	1.5
108.90573	0.1
109.02888	0.2
117.03377	0.3
117.10678	0.1
119.01364	0.2
119.04941	0.2
121.02871	0.6
121.95785	0.1
124.01572	0.2
125.02383	0.2
128.82779	0.1
133.02893	0.2
134.88501	0.2
135.00810	0.7
135.04399	0.2
145.02855	0.9
147.00841	0.1
148.01598	1.4
149.02423	0.1
149.06050	0.2
151.00308	4.4
152.01047	0.2
153.01817	0.3
161.02377	0.5
162.02863	0.1
163.00360	0.9
163.04051	0.2
164.01125	0.9
169.01369	0.3
171.04384	0.2
174.03165	0.1
175.03920	0.2
178.99823	2.7
179.03410	0.2
183.04451	0.2
187.03970	0.4
188.04808	0.2
190.99797	0.2
192.00638	0.4
198.03195	0.2
199.03969	1.0
200.04439	0.2
201.01881	0.3
202.02588	0.1
203.03468	0.3
211.03856	0.7
214.02563	0.2
215.03543	0.7
216.04301	0.7
226.02704	1.4
227.03497	3.1
228.04018	0.3
229.01315	0.2
243.03012	10.7
244.03554	1.1
254.02260	2.1
255.03017	25.7
256.03375	2.3
271.02524	57.9
272.03009	6.5
273.03897	0.4
283.02408	0.3
299.02084	2.7
300.02795	100.0
301.03271	11.7
302.03943	0.4
343.04782	0.2
355.04477	0.2
444.90799	0.2
445.07919	0.3
489.10596	0.3
591.12292	0.3
609.14722	11.5
610.14923	1.9
755.18414	39.1
756.18738	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	747.3897
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81109	0.1
57.52317	0.1
61.44759	0.1
62.22163	0.1
62.96297	0.2
65.51743	0.1
66.61721	0.1
70.60531	0.1
70.88752	0.1
70.89091	0.3
73.88509	0.1
78.95794	51.7
79.33273	0.1
79.96216	0.1
90.95406	0.1
96.96864	7.2
98.19648	0.1
150.97964	1.8
152.99524	100.0
153.99860	1.7
171.00601	4.3
212.81685	0.1
277.21814	0.6
315.16010	0.3
431.22107	36.4
432.22452	4.3
551.03821	0.2
594.53113	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	750.4085
Annotation	Neojerminalanine
Peak:m/z	Relative Intensity
57.03331	0.7
58.88368	0.6
59.01267	4.8
61.98721	0.9
69.03324	2.5
71.01270	4.4
73.02851	0.6
78.61752	0.7
82.68135	0.7
83.04913	2.0
87.00785	0.9
89.02330	1.5
98.19835	1.7
101.02346	2.1
102.79002	0.7
110.02440	0.8
111.08072	1.6
113.02325	1.3
125.15905	0.7
135.03203	1.1
137.09665	5.1
157.08611	1.2
163.07545	1.2
174.09222	4.1
181.08667	15.7
188.95985	0.8
199.09731	12.3
208.09793	5.1
209.08093	1.5
218.08217	1.3
236.09297	7.7
253.09294	2.6
277.21777	16.6
278.22125	1.9
303.72241	0.7
310.13034	0.9
382.12778	0.7
407.84616	0.7
419.60898	0.7
444.18494	0.8
472.18286	4.7
490.19135	1.4
534.13495	0.8
548.88953	0.7
730.12122	0.8
732.39899	20.9
733.40204	4.2
749.86810	1.4
750.40857	100.0
751.41248	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	747.3828
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01770	1.4
57.03334	0.9
58.00480	1.2
59.01265	27.8
61.98722	2.1
69.03324	0.7
71.01270	28.9
71.60062	0.6
72.99199	2.2
73.02836	4.4
76.04843	0.4
80.55955	0.4
85.02843	9.3
85.99976	0.4
87.00766	2.5
88.35909	0.4
89.02338	14.6
89.31375	0.4
93.03368	1.2
95.01284	2.5
96.95890	0.4
99.00792	1.9
99.08058	0.8
101.02345	17.1
101.03012	0.8
107.04935	0.6
109.02856	2.1
111.00785	0.9
113.02360	10.2
117.03358	0.5
119.03421	6.3
123.03635	0.6
123.04445	5.0
124.01592	0.6
125.02358	1.1
129.09134	0.8
131.03450	0.6
133.02846	0.9
134.03662	1.5
135.04448	48.6
136.04770	2.4
137.02350	1.0
137.05984	0.4
143.03427	0.8
147.04404	0.4
149.02313	0.5
149.04518	0.6
149.06035	2.6
150.03171	0.6
152.01201	0.6
153.01904	2.6
153.05508	3.1
156.70493	0.4
161.02376	3.5
161.04498	1.4
162.03142	0.4
164.04739	0.6
165.05537	0.9
167.76387	0.4
170.96858	0.4
177.05623	0.7
179.03419	0.8
179.05658	0.8
195.06618	0.5
255.03041	0.5
269.21295	2.2
271.22928	0.4
275.91486	0.4
283.02451	0.7
287.22324	17.7
288.22662	1.8
297.09882	1.7
298.08307	0.6
301.23911	0.7
306.16196	0.5
311.22379	0.9
315.10938	24.5
316.11261	1.9
328.09421	0.4
331.17932	0.4
395.14685	0.4
395.24240	0.4
431.26660	6.8
432.26910	0.5
449.27667	29.8
450.28021	4.2
459.69830	0.4
473.27646	3.6
747.38257	100.0
748.38605	21.3
748.49115	0.4
767.01147	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.2889
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06923	0.7
55.01753	1.1
57.03352	1.3
58.00492	5.2
59.01265	100.0
60.01618	1.2
61.70551	0.9
61.98720	1.3
68.86532	0.9
70.43784	1.5
70.44164	1.7
71.01270	74.6
72.01608	1.3
72.99189	6.3
73.02840	1.8
83.01278	2.2
85.02842	10.7
87.00757	4.9
89.02339	91.4
90.02703	1.5
93.03350	2.7
95.01293	6.4
95.21183	0.7
96.95923	1.3
100.73027	0.8
101.02351	43.9
106.04023	1.5
113.02358	31.4
115.03841	0.9
119.03421	42.1
120.01176	9.1
120.03800	0.7
121.02882	3.9
122.00705	0.9
122.03662	8.2
123.00789	0.8
123.04450	1.3
125.02438	1.3
131.03410	3.3
133.02927	2.2
135.04446	1.8
136.01556	1.5
137.02367	1.7
137.14313	0.8
143.03432	8.8
149.02391	13.0
149.04503	3.3
149.06035	1.7
150.03169	61.9
151.03564	3.7
152.04367	0.8
160.01617	1.4
161.02374	2.6
161.04503	6.8
164.04744	1.6
165.01888	1.6
165.05530	56.2
166.05836	4.0
167.03389	0.9
175.03984	1.4
177.05597	0.9
179.05580	18.3
180.04201	5.0
190.06172	0.8
195.06610	33.2
196.06955	2.7
257.12015	1.3
270.08945	2.1
285.11456	2.7
298.08456	2.7
310.08447	1.5
311.09311	1.5
313.10797	2.0
323.09393	1.1
325.10889	2.7
326.08029	2.6
326.11667	2.0
340.13229	1.8
341.10364	20.2
341.14322	1.6
342.04196	0.9
342.10776	2.2
356.12759	7.7
357.13095	1.4
371.15091	32.6
372.15472	3.0
388.14923	1.2
389.15363	1.4
519.20123	2.4
521.19531	0.8
536.19708	1.0
537.20514	3.2
585.22998	3.7
699.26093	1.0
747.28674	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	747.2889
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01778	1.2
57.03336	1.6
58.00485	4.4
59.01265	100.0
60.01617	1.1
71.01270	71.7
71.35140	0.8
72.01624	1.2
72.99207	4.9
73.02852	1.6
78.83775	0.4
83.01274	2.7
85.02845	12.0
87.00779	4.1
89.02339	82.6
90.02676	1.4
92.17561	0.5
93.03355	1.8
93.28933	0.5
95.01277	4.3
101.02348	39.5
102.02689	0.9
113.02360	29.8
114.02750	0.5
118.33012	0.5
119.03419	38.1
120.03756	0.8
121.02898	3.2
122.03672	6.9
122.08543	0.4
123.00763	0.6
123.04481	0.7
125.02372	1.0
131.03435	5.0
132.02022	0.5
133.02840	1.5
135.04443	1.1
136.01572	1.6
137.02353	0.8
143.03424	8.2
144.03706	0.6
145.02899	0.7
149.02385	13.8
149.04393	3.7
149.05586	0.6
150.03169	39.0
151.03581	1.0
160.01566	1.7
161.02361	1.3
161.04504	6.3
163.03882	0.5
164.04726	2.2
165.05527	29.7
166.05835	1.6
179.05579	16.5
179.07150	1.0
180.04285	2.7
180.05687	0.7
180.07794	0.6
195.06595	23.3
196.06921	1.1
205.65741	0.5
227.03329	0.6
255.02895	1.4
257.11676	1.2
270.08850	1.5
271.02469	0.7
282.08896	0.8
284.03278	0.8
285.11371	2.6
298.08618	2.2
310.08340	1.0
311.09024	1.3
313.10892	2.5
325.10678	1.5
326.07782	2.0
326.11432	1.0
340.12943	0.9
341.10361	14.2
342.10648	1.0
355.11536	0.5
356.12659	5.8
357.13153	0.9
371.15079	26.9
372.15387	3.8
439.10031	0.5
519.20374	11.5
520.20734	2.3
526.91608	0.5
567.22052	0.7
585.23029	1.2
747.29480	5.7
748.28027	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	747.2165
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59370	0.4
57.03318	1.3
58.00470	0.6
59.01264	6.2
59.81549	0.4
59.86200	0.4
65.00198	0.8
66.66758	0.4
69.03344	0.8
71.01268	4.7
71.57132	0.8
72.99197	0.8
73.02823	3.1
73.86868	0.5
75.00780	0.5
81.03333	0.6
85.02840	2.9
85.99991	0.6
87.00782	3.6
87.04415	1.3
89.02328	1.3
93.03360	1.0
95.01274	1.3
97.02837	2.2
101.02366	2.7
103.03938	0.5
108.02039	0.9
108.54888	0.4
109.02859	4.8
110.24349	0.4
113.02340	1.7
115.03913	1.0
117.03395	0.7
118.90366	0.5
119.88264	0.5
121.02847	3.7
121.42743	0.5
122.03675	2.7
123.00800	2.8
123.04443	4.1
124.01574	1.4
125.02359	9.3
127.30659	0.4
129.03391	0.8
131.03423	2.2
132.02110	0.4
133.02890	3.1
135.04425	2.9
136.01530	0.5
137.02362	7.6
139.03911	1.7
143.03429	2.1
143.04916	1.3
145.02873	3.6
146.03654	4.0
147.04446	7.3
149.02405	4.7
149.06010	1.0
150.03156	0.9
151.03914	1.8
154.02681	0.7
157.06509	0.6
158.03633	0.5
159.04446	4.3
160.05255	0.7
161.02388	15.5
161.06010	2.1
162.03168	2.4
163.00327	1.1
163.03941	3.0
164.01176	1.0
165.01872	7.3
167.04916	0.6
170.03651	0.7
171.04482	6.1
172.05173	1.5
173.02423	4.0
173.06042	3.8
174.03230	3.2
174.06396	0.6
175.03955	11.8
175.07600	0.4
176.04526	0.8
177.01854	0.7
177.05521	1.1
179.03502	2.5
179.05266	0.4
183.04468	1.8
184.05269	0.9
185.06003	2.3
186.03116	1.1
187.03978	4.9
188.04716	2.5
189.01811	0.5
189.05544	9.2
190.02602	0.8
190.05867	0.6
191.03465	1.3
191.07124	2.2
197.06004	2.1
198.03203	0.7
199.03946	4.5
199.07649	1.2
200.04718	2.3
201.01866	1.5
201.05574	4.6
202.02634	0.6
202.06413	0.8
203.03534	2.5
203.07129	1.0
204.04172	0.8
205.05002	3.9
205.07112	1.2
209.04323	0.5
209.06136	0.7
211.03967	2.4
211.07590	1.0
212.04765	3.4
213.05464	3.9
214.02643	1.8
214.06174	0.7
215.03534	5.1
215.07060	3.6
216.04239	0.7
216.07436	0.5
217.05051	3.8
219.06572	0.7
224.04814	0.6
225.05576	5.7
226.02541	0.6
226.06294	1.7
227.03494	3.0
227.07057	4.2
228.04190	1.3
229.01511	1.1
229.05063	3.6
230.02200	8.2
231.02931	1.9
231.06598	1.5
232.03683	1.3
240.04373	0.7
241.05066	6.0
242.02213	3.1
242.05763	1.6
243.03041	7.4
243.06601	2.7
244.03835	2.8
245.04529	3.2
245.08334	0.8
246.05341	1.1
247.06119	4.8
252.04370	0.6
253.05127	3.2
254.02000	0.6
254.05852	1.5
255.03119	2.9
255.06642	1.4
256.03799	1.8
257.04556	3.2
259.06165	21.0
260.06592	1.5
267.06812	0.7
269.01578	0.6
269.04581	3.7
270.01727	2.3
270.05283	1.6
271.02530	6.6
271.06116	2.7
273.04111	2.5
276.82657	0.5
279.03256	0.5
279.12518	0.7
286.04874	1.4
287.05713	7.6
288.05969	0.6
289.07062	2.1
297.04095	1.6
298.04935	1.7
299.05704	4.4
315.05167	5.4
316.05606	0.6
344.06540	0.5
377.10434	2.9
394.06940	1.6
403.07928	0.7
420.09021	0.5
421.09433	7.9
422.09512	0.6
439.10336	1.0
475.12549	0.5
585.18384	12.1
586.18610	1.3
595.16986	6.2
596.17310	1.1
601.15399	1.3
623.17633	0.5
625.17761	1.0
703.21704	0.6
747.21576	100.0
748.21851	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	745.3743
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	0.4
60.66486	0.1
62.96274	0.3
63.71155	0.1
64.34016	0.1
69.42059	0.8
71.01251	0.2
78.95795	49.4
84.61060	0.1
87.00780	0.1
89.02360	0.2
96.95905	0.3
96.96864	6.0
98.19822	0.2
101.02328	0.2
119.03403	0.2
133.02852	0.6
135.04474	0.7
150.97960	1.7
152.99527	100.0
153.99864	1.4
161.02383	1.6
171.00601	3.8
179.03400	0.7
183.13872	0.3
203.03436	0.3
211.13396	1.1
221.04375	0.1
239.38794	0.1
269.66885	0.1
277.21793	1.4
278.22260	0.2
335.67709	0.1
397.13474	0.4
431.22122	33.6
432.22449	3.4
487.15042	0.2
621.18311	0.6
622.18787	0.3
649.70276	0.1
654.25287	0.2
745.34039	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.3746
Annotation	Unknow
Peak:m/z	Relative Intensity
54.72016	0.2
59.01257	0.5
61.98687	0.2
62.76888	0.2
62.96289	0.3
70.78786	0.4
71.01257	0.4
78.95795	50.5
88.24137	0.2
89.02357	0.2
96.95898	0.6
96.96863	6.5
133.02885	0.9
135.04503	0.8
150.03214	0.2
150.97972	1.6
152.99529	100.0
153.99870	1.4
154.01785	0.2
161.02379	2.1
171.00606	4.2
179.03468	0.4
211.13445	0.5
224.21959	0.2
277.21802	1.5
311.75995	0.2
313.14639	0.2
407.15332	0.4
431.22119	35.8
432.22473	4.3
585.98364	0.2
615.23450	0.3
695.12299	0.2
745.33600	1.1
745.84399	0.8
746.34729	0.6
748.63800	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.2732
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99291	0.4
54.54984	0.5
59.01266	5.7
61.98717	0.8
66.49162	0.4
67.01798	0.5
71.01273	4.7
71.58103	0.7
72.99191	0.6
73.02833	0.8
83.01276	0.6
84.02145	0.5
85.02854	2.0
89.02334	4.6
93.03354	4.3
93.58990	0.4
95.01302	0.9
95.04896	0.6
101.02351	2.2
108.02113	1.1
109.02881	1.6
113.02337	2.2
119.03407	1.8
119.04913	0.6
120.01169	30.5
121.02880	12.1
122.03663	15.3
123.00800	1.1
123.04446	2.0
124.01617	1.7
125.02352	1.0
132.02127	0.5
133.02879	2.9
134.03694	1.2
135.04451	9.4
136.01595	19.2
136.04665	0.5
137.02428	4.5
139.03970	0.9
145.02890	1.1
146.03688	0.6
147.04463	1.8
149.02385	29.3
149.06020	3.6
150.03171	96.8
151.00320	4.1
151.03964	24.8
152.01076	1.5
152.04312	0.8
152.32088	0.5
153.01828	0.7
153.05473	0.6
159.04485	0.8
160.05223	0.9
161.02397	3.0
161.04570	0.5
161.06052	1.6
162.03105	1.4
163.03986	3.4
164.04741	7.4
165.05528	100.0
166.01256	0.9
166.02678	13.7
166.05838	4.0
167.03481	2.3
172.05228	1.5
173.06107	0.8
174.03209	0.8
175.03955	4.3
175.07574	0.5
176.01134	0.6
177.01952	1.4
177.05534	3.4
179.03490	1.5
179.05600	1.6
179.07018	1.1
180.04260	5.0
181.05045	19.0
182.05357	0.7
187.04037	0.7
189.05554	3.4
190.06342	6.7
191.03603	0.5
191.06818	0.9
192.04173	0.6
195.06618	66.6
196.06966	3.9
203.03442	0.7
205.05183	0.9
205.08720	1.6
206.05870	0.8
207.06680	0.5
220.07396	1.5
221.08182	1.6
227.03531	1.1
255.03065	2.1
266.05887	0.8
281.08200	0.5
282.05554	0.7
283.02618	3.6
284.03192	1.3
285.04056	1.4
287.22021	0.6
297.07697	1.5
309.07782	0.9
311.11557	0.6
314.07794	1.0
315.08768	1.8
325.07108	0.6
325.10806	0.7
326.11658	0.8
329.10291	3.0
339.08881	0.7
342.11221	1.5
355.11945	1.0
356.12717	1.9
357.09760	3.8
357.13559	9.3
358.10074	1.0
358.14014	1.1
369.13531	2.1
371.15427	0.5
372.12054	3.5
373.12878	1.8
385.13098	0.8
386.13809	2.2
387.14584	52.2
388.14966	5.6
490.16470	1.1
505.18930	3.4
506.19333	0.6
517.19379	0.7
520.17670	0.8
535.19836	63.8
536.20154	9.8
553.20819	1.9
565.20911	2.5
565.29437	0.5
581.31488	0.7
582.32941	2.5
583.22015	49.5
584.22388	8.8
626.38446	0.5
745.25909	1.0
746.26929	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.2161
Annotation	Unknow
Peak:m/z	Relative Intensity
57.00427	0.8
58.52494	0.9
59.01260	2.9
69.03336	0.8
71.01270	3.9
71.56348	1.3
73.02844	1.9
83.91485	0.9
85.02848	2.2
87.00772	3.3
93.03363	1.6
96.26888	0.9
96.95929	4.8
97.02842	1.0
101.02370	1.4
109.02857	3.6
111.00792	1.1
113.02260	0.9
117.03383	1.1
121.02911	4.2
122.03625	2.5
123.00784	2.1
123.04443	3.2
125.02377	7.1
131.03412	1.2
133.02875	2.6
135.04437	3.2
137.02373	4.9
139.03925	1.5
143.03432	1.4
143.04893	1.0
145.02867	2.8
146.03673	4.1
147.04498	6.5
149.02396	4.6
150.03194	1.2
151.03966	1.6
152.11629	1.1
152.87163	0.9
159.04431	3.9
161.02373	13.8
161.06042	1.8
162.03000	0.8
163.03897	1.3
165.01912	6.5
171.04472	3.4
173.02380	3.3
173.06007	3.3
174.03221	2.4
175.03952	8.8
176.04489	1.1
179.03461	2.1
183.04521	1.0
184.49002	1.0
185.06015	2.3
187.03903	3.5
188.04745	3.1
189.05576	8.0
190.02646	0.9
191.07054	2.0
199.03966	2.5
200.04735	1.3
201.01903	1.1
201.05536	2.8
203.03542	2.5
203.07167	1.9
205.05057	2.2
209.06091	1.2
211.03886	2.4
212.04774	3.5
213.05548	2.1
215.03542	4.8
215.07133	3.2
216.04269	1.3
217.05069	1.3
225.05586	3.5
226.06168	1.1
227.03482	3.2
227.07158	3.4
229.05118	2.1
230.02237	5.4
231.02925	2.0
231.06639	1.8
240.04276	1.0
241.05130	4.8
242.02245	2.2
243.03055	5.7
244.03825	0.9
245.04547	2.8
245.07890	1.2
247.06139	3.9
253.05023	2.7
255.03094	2.4
255.06586	1.6
257.04538	2.1
259.06143	19.1
259.10553	1.0
260.06558	1.7
269.04556	2.6
270.01782	1.9
270.05237	2.1
271.02527	5.8
271.05942	1.7
271.08923	1.2
273.04086	1.8
286.04919	1.1
286.08258	1.1
287.05725	7.6
289.07205	1.7
297.04129	1.8
298.04889	1.6
299.05713	4.6
315.05310	6.0
377.10330	2.6
394.06909	1.5
421.09445	8.4
438.09854	0.9
565.70868	1.0
585.18689	10.3
586.18750	1.3
595.16766	7.1
596.17053	1.6
625.17657	1.3
681.98004	0.9
747.21625	100.0
748.21893	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	745.2733
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	1.0
57.03330	1.6
58.00480	4.5
59.01265	100.0
60.01611	1.1
61.98711	1.0
69.27557	4.2
71.01271	70.0
72.01622	0.9
72.99195	4.4
73.02845	1.4
75.00750	0.4
81.03360	0.6
83.01271	2.5
85.02844	11.4
87.00787	3.0
89.02338	84.6
90.02672	1.5
95.01284	4.8
99.00762	0.5
101.02345	31.1
102.02646	0.8
107.03426	0.5
113.02359	26.5
114.02602	0.4
119.03417	31.3
120.03780	0.5
121.02864	1.1
122.03652	1.2
125.02378	0.7
131.03421	3.9
135.04471	2.3
136.01651	0.7
140.75232	0.4
143.02379	0.5
143.03438	7.9
146.03702	0.6
147.04292	0.4
149.02405	2.5
149.04456	3.1
149.05940	0.8
150.03168	5.1
151.03864	1.3
161.02448	0.6
161.04517	7.6
161.05882	0.7
162.03119	1.1
164.04694	0.7
165.05515	4.2
166.02612	1.3
174.03183	0.4
175.03857	0.7
177.01846	0.4
177.05481	1.5
179.05577	21.7
180.05865	1.1
181.04971	1.0
190.06340	0.6
192.04155	0.6
193.05121	0.4
195.06563	2.9
207.06602	0.7
227.03571	0.3
371.14755	0.5
384.42548	0.4
386.13654	1.1
387.14536	2.0
505.18805	0.7
531.18665	2.6
535.19904	8.8
536.19653	1.3
565.20813	0.5
593.39429	0.4
697.24756	0.4
745.26031	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.2734
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01768	0.8
57.03346	1.4
58.00480	5.3
59.01264	96.5
60.01599	1.1
61.98716	1.4
67.01754	0.5
68.99694	1.9
69.79616	1.4
69.80042	2.0
71.01270	77.6
72.01590	0.9
72.99199	6.4
73.02844	2.0
81.03369	0.5
83.01250	2.6
85.02845	10.5
87.00775	6.8
88.98693	1.1
89.02337	100.0
90.02673	1.2
93.03364	2.4
95.01280	5.4
98.58284	0.6
99.00761	1.0
101.02346	41.3
102.02644	0.9
103.67773	0.5
107.03405	0.6
107.60941	0.5
108.02061	2.6
109.02853	1.6
113.02358	33.5
114.02652	1.1
117.03352	2.0
119.03423	41.1
119.04795	1.2
120.01156	1.7
120.03710	0.7
121.02864	4.0
122.03662	5.8
123.00758	2.1
123.04442	3.6
123.57637	0.5
124.01551	1.3
125.02367	1.7
131.03426	5.2
132.02022	0.7
133.01364	0.6
133.02882	2.7
134.03607	2.0
135.04420	2.1
136.01587	16.8
137.02393	3.2
138.03146	1.3
143.02370	0.8
143.03430	10.3
145.02902	8.2
146.03717	2.9
147.04387	2.0
149.02396	7.9
149.04497	4.1
149.05962	3.6
150.03171	37.7
151.00342	4.9
151.03961	18.5
152.04347	1.0
159.04367	0.7
161.02402	10.3
161.04506	8.5
161.05843	1.1
162.03172	44.0
163.03807	2.6
164.04672	2.1
165.05524	46.1
166.02676	15.6
166.05815	2.0
167.03203	1.7
175.03923	1.0
175.07523	0.5
177.01907	1.4
177.05536	29.6
178.02682	3.2
178.05870	2.0
179.03253	1.0
179.05576	24.6
179.07143	1.3
180.04314	5.7
180.05756	1.2
181.05026	19.1
182.05389	1.2
187.03975	0.5
189.05429	1.4
190.06284	1.7
191.03416	1.0
192.04205	0.8
193.05034	5.6
195.06602	47.9
196.06854	2.1
205.04976	0.9
205.08632	0.7
207.06609	1.0
209.08183	0.7
221.08066	0.8
249.07430	0.7
274.50803	0.5
329.10202	1.1
342.11072	0.7
346.70151	0.5
355.11755	0.7
356.12573	0.7
357.09348	2.3
357.12823	4.3
372.12091	2.6
373.12811	0.8
386.13586	0.8
387.14545	21.3
388.14566	1.8
506.15131	1.5
535.20135	2.5
536.20483	0.6
547.19849	10.2
548.19696	1.7
565.20062	0.6
583.21979	8.3
584.22034	2.4
593.14105	0.9
715.26184	1.1
727.25616	0.7
745.27307	6.8
746.26587	1.7
779.26526	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.3728
Annotation	Unknow
Peak:m/z	Relative Intensity
56.09643	0.1
59.01260	0.8
61.98717	100.0
62.98409	0.1
71.01266	0.8
71.45174	0.1
71.58451	0.1
71.58932	0.2
76.56821	0.1
88.09286	0.1
89.02333	0.7
93.29678	0.1
101.02363	0.6
103.09821	0.1
105.17625	0.1
113.02378	0.2
114.02698	0.2
119.03511	0.2
125.02386	0.2
134.01614	0.1
139.98883	0.1
143.03496	0.1
143.83104	0.1
148.67122	0.1
149.45271	0.1
209.11858	0.9
210.12288	0.4
211.13538	0.2
212.13809	0.2
227.12831	0.2
253.09317	0.2
254.09891	0.1
277.21732	0.2
279.23373	0.7
280.23627	1.1
281.23972	0.6
282.24295	0.2
293.21216	0.1
397.13467	0.6
398.13873	1.0
399.14105	1.2
400.14349	0.9
416.15274	0.2
417.15457	0.5
418.15704	0.2
419.54935	0.1
478.32428	0.1
577.27319	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.1372
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77157	0.2
61.98728	0.4
71.01254	0.4
74.58394	0.2
74.96131	0.2
80.02004	0.2
98.20672	0.4
99.92489	8.8
100.92535	0.3
114.93340	0.3
116.92776	100.0
117.92783	6.0
132.45706	0.2
133.02866	0.7
135.04439	0.5
161.02390	2.0
204.76477	0.2
229.79478	0.2
229.81773	0.2
312.99020	0.2
461.16821	0.4
531.98865	0.2
623.19940	2.3
624.20361	0.4
687.10760	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.1372
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77157	0.2
61.98728	0.4
71.01254	0.4
74.58394	0.2
74.96131	0.2
80.02004	0.2
98.20672	0.4
99.92489	8.8
100.92535	0.3
114.93340	0.3
116.92776	100.0
117.92783	6.0
132.45706	0.2
133.02866	0.7
135.04439	0.5
161.02390	2.0
204.76477	0.2
229.79478	0.2
229.81773	0.2
312.99020	0.2
461.16821	0.4
531.98865	0.2
623.19940	2.3
624.20361	0.4
687.10760	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.4296
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01773	1.0
57.03339	0.7
58.00484	1.2
59.01268	27.9
60.29999	0.7
61.98713	1.3
68.08941	0.8
69.03339	1.2
71.01272	27.0
71.58883	1.2
72.99198	1.8
73.02827	4.0
78.95766	1.4
81.03350	1.1
83.01279	1.8
85.02856	5.2
85.03269	0.9
87.00771	5.6
89.02336	19.3
95.01259	2.1
97.02853	5.1
99.00790	2.5
101.02345	19.0
103.03951	0.7
111.04449	0.9
113.02367	8.8
117.03364	0.8
119.03426	5.7
123.94898	0.8
125.02354	7.4
139.03894	0.8
142.75916	0.7
143.03401	3.0
150.46974	0.8
152.99551	1.0
161.04468	4.1
171.10187	1.0
179.05592	4.0
191.29254	0.7
207.10280	1.0
209.11761	2.2
221.06644	1.3
225.11322	1.0
235.08234	10.1
253.09253	2.5
263.07861	0.9
277.21780	3.1
278.22180	1.2
279.23291	2.2
283.26486	67.9
284.26862	7.3
287.07751	3.7
305.08807	4.2
323.09869	1.3
397.13577	100.0
398.13754	8.4
415.14667	29.5
416.15073	2.9
455.13791	0.9
681.40936	6.4
682.40826	1.6
741.44409	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.4733
Annotation	Unknow
Peak:m/z	Relative Intensity
55.04531	0.5
57.28328	0.6
59.01289	2.8
61.98742	2.9
66.54451	0.6
67.76755	0.7
71.02935	1.1
78.95797	28.5
91.76517	0.7
92.92734	1.9
94.92471	1.1
96.96909	2.8
137.22409	0.7
143.60751	0.7
144.83411	0.7
150.97987	1.0
152.99532	35.0
171.00632	3.3
199.11082	0.7
227.03255	4.6
245.04451	1.1
253.21754	28.1
254.22179	1.2
255.23306	3.3
275.20309	1.0
277.21790	67.0
278.22150	5.7
279.23358	0.9
413.21277	1.5
483.27518	3.6
487.24991	1.5
505.25864	100.0
506.26126	11.4
523.89606	0.9
741.47266	34.6
742.47552	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	743.3153
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01871	0.4
55.01769	0.6
56.69084	0.3
57.03342	0.9
58.00482	0.6
59.01264	19.9
71.01268	10.5
72.37653	0.3
72.99198	0.8
73.02836	18.7
75.83408	0.3
77.65484	0.4
82.04336	0.3
83.01286	2.5
85.02847	5.0
87.00771	1.6
89.02328	0.6
97.02884	0.7
97.62505	0.3
99.00805	1.6
101.02350	14.8
113.02355	2.3
125.02369	1.3
130.21518	0.4
133.02869	0.7
135.04449	0.4
143.03482	0.4
145.02899	0.6
161.02568	1.8
161.04501	24.8
162.04886	0.6
230.04233	0.4
251.09264	1.6
268.04068	0.4
269.10358	100.0
270.10693	6.5
271.02423	0.6
272.03040	0.4
289.06958	0.5
300.02859	1.0
301.03183	0.7
302.03391	0.7
311.11426	48.7
312.11676	3.7
332.22940	0.3
387.20328	3.8
465.16589	0.3
581.14331	0.8
650.81805	0.4
700.30859	0.4
721.79547	0.4
743.20685	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4291
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	0.9
57.03340	1.6
59.00988	0.6
59.01264	6.5
61.61408	0.3
69.03340	0.6
71.01270	6.2
71.04910	2.9
71.57616	0.5
73.02837	0.9
81.03369	0.6
83.01270	0.5
83.04911	0.8
85.02857	1.1
87.00797	0.7
87.56197	0.3
89.02332	2.6
95.01289	0.6
95.04923	0.9
97.02851	3.5
97.06483	2.4
99.00782	18.9
99.94426	0.3
100.01105	0.5
101.02344	2.9
109.06515	1.6
110.03648	0.7
113.02337	1.7
119.03434	0.6
123.08086	1.2
125.09648	7.8
126.09983	0.4
127.11192	0.5
135.08086	0.7
136.05255	0.5
142.02660	0.9
143.03433	0.4
145.10240	0.4
153.12775	0.8
155.14375	0.7
161.04530	0.8
161.09682	0.6
163.11246	9.6
164.11629	0.6
171.10260	3.7
179.10622	0.5
181.12315	18.9
182.12698	0.8
197.11830	0.9
198.03745	0.3
199.13388	14.8
200.13745	0.5
201.11301	0.8
207.10262	30.9
208.10583	1.7
211.07629	1.3
223.13443	0.5
225.11336	42.3
226.11661	2.8
235.08229	0.4
243.12411	25.6
244.12761	1.1
253.09344	1.6
277.21783	18.4
278.22107	1.2
317.16141	0.8
343.45056	0.3
343.49835	0.3
425.88223	0.3
437.26468	0.4
461.20337	3.2
479.21484	7.9
480.21399	0.5
527.02350	0.4
739.42902	100.0
740.43225	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	739.429
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01776	0.7
57.03342	1.7
59.01267	4.3
61.98717	0.3
69.03339	0.6
71.00894	0.6
71.01270	8.6
71.04917	3.4
71.50842	0.6
72.99172	0.4
73.02834	1.2
76.56998	0.3
78.95792	0.4
80.02563	0.4
81.03352	0.6
83.01263	0.5
83.04913	1.2
85.02848	1.2
86.00017	0.4
87.00781	1.6
89.02338	1.5
95.01292	0.4
95.04926	0.9
96.95915	6.1
97.02851	3.2
97.06487	3.6
99.00781	16.8
101.02346	3.2
106.04149	0.6
109.02863	0.3
109.06503	1.1
110.03667	0.7
110.29668	0.3
113.02367	2.1
119.03405	0.4
123.08073	2.0
125.09652	8.6
126.09976	0.5
135.08043	0.7
136.05191	0.6
142.02638	0.9
145.04958	0.6
145.10086	0.5
153.12759	1.0
155.14268	0.3
157.22487	0.3
161.04494	1.2
161.09624	0.6
163.11237	12.0
164.11531	0.5
171.10202	3.0
179.10745	0.6
181.12306	19.2
182.12683	1.4
197.11813	1.1
199.13388	6.9
201.11256	0.9
207.10252	22.2
208.10550	1.2
223.60829	0.4
225.11325	27.1
226.11742	1.6
235.08174	1.2
243.12428	11.1
244.12769	0.6
253.09360	1.8
277.21777	36.1
278.22147	3.2
281.24921	1.3
397.13599	2.2
415.14801	0.4
461.20258	3.2
479.21503	3.4
480.21310	0.3
565.82849	0.4
577.37164	0.7
739.42902	100.0
740.43250	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	745.2733
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00461	0.8
58.27600	0.8
59.01267	24.0
60.36759	0.7
61.98727	1.3
66.63062	0.8
71.00894	1.1
71.01270	16.2
71.57462	1.2
71.57858	0.9
72.99192	1.8
73.02834	1.3
83.01283	0.8
85.02843	2.9
87.00784	1.7
88.98708	1.4
89.01822	1.4
89.02343	21.2
93.03344	4.8
95.01266	2.3
96.95905	1.9
101.02357	10.6
105.01811	2.4
106.03968	0.8
109.02844	1.2
113.02357	6.1
119.03428	9.1
120.01173	15.4
120.26873	0.9
121.02877	13.8
122.03671	15.5
123.00821	1.0
123.04436	0.9
124.01588	1.0
125.02340	1.0
131.03415	1.8
133.02855	3.2
134.03682	1.2
135.04449	9.2
136.01591	23.1
137.02419	4.2
139.03929	1.1
143.03424	1.9
145.02881	1.0
147.04405	2.1
149.02388	28.2
149.04851	1.4
149.06021	25.8
150.03169	94.6
151.00310	3.7
151.03966	23.3
152.01047	1.2
152.04343	1.2
154.02657	0.9
160.05280	1.5
161.02432	3.9
161.04486	1.4
162.03171	1.3
163.03928	3.5
164.04742	8.6
165.05528	100.0
166.02652	15.5
166.05824	5.2
167.03381	3.6
172.05226	1.6
173.06042	1.0
175.03946	3.3
177.01924	1.1
177.05559	2.3
179.03523	1.3
179.05551	3.2
179.06998	1.1
180.04274	6.5
181.05032	18.3
189.05551	4.6
190.06297	7.4
195.06613	63.5
196.06938	3.2
205.04974	1.1
221.08212	1.5
266.05737	1.3
297.07629	0.9
309.07730	1.1
315.08850	1.3
323.09241	1.1
324.09906	1.4
325.10751	1.2
329.10370	2.5
337.39951	0.9
339.08698	4.2
342.11099	2.2
353.12411	2.3
354.11243	1.7
355.11926	1.3
356.12671	2.3
357.09763	4.3
357.13495	8.1
369.13425	6.9
370.13937	0.9
372.12222	3.4
373.12726	2.0
386.13791	2.5
387.14597	43.1
388.14987	5.8
490.16846	1.0
505.18576	3.0
517.18982	1.5
535.19867	54.5
536.20233	10.1
553.20715	1.9
558.70813	1.1
565.20709	2.5
582.32458	1.1
583.22003	46.1
583.31561	3.2
584.22363	9.5
745.22845	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.5205
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	12.9
67.22832	0.2
69.84965	0.8
69.85372	0.4
71.55901	0.2
81.03352	3.7
83.04919	11.9
84.05254	0.3
98.19913	0.3
108.04470	0.5
125.07146	0.6
126.05527	0.3
140.25146	0.2
143.08191	0.5
148.07808	0.2
161.02377	0.2
207.15009	1.1
222.25296	0.2
224.17696	1.7
225.06914	0.2
225.16098	12.0
226.16469	0.9
236.95872	0.2
242.18770	0.5
250.15640	0.2
290.22382	0.3
291.20847	0.2
299.97720	0.2
309.21732	1.0
324.26477	0.3
333.23068	0.8
341.29288	0.6
352.22885	0.2
367.27222	1.6
368.27313	0.2
385.28195	0.3
433.31949	1.1
450.34891	1.3
451.33011	9.0
452.33310	1.3
550.43414	1.2
559.39764	0.3
565.44763	0.2
593.44000	0.6
659.48688	2.0
660.49243	0.4
677.49860	100.0
678.50165	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	738.3571
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01780	0.1
58.00497	0.1
59.01266	2.3
60.01608	0.3
61.01686	0.2
61.98718	100.0
62.98421	0.1
69.03335	0.1
71.01273	2.0
71.58459	0.1
72.01615	0.3
72.99213	0.1
73.01719	0.2
73.02837	0.3
83.01288	0.2
85.02847	0.4
86.03183	0.1
87.00780	0.4
88.01091	0.1
89.02337	1.7
90.02676	0.2
91.02773	0.2
93.73798	0.1
95.01245	0.2
97.02880	0.2
98.09780	0.1
101.02341	1.4
102.02705	0.2
103.02773	0.1
113.02359	0.6
114.02695	0.2
115.02822	0.2
119.03420	0.4
121.03851	0.1
125.02410	0.5
126.02734	0.1
143.03484	0.3
144.43985	0.1
161.04550	0.3
162.04863	0.1
163.05139	0.1
179.05576	0.3
180.05984	0.1
181.06165	0.1
198.00000	0.1
221.06566	0.1
235.08363	0.4
236.08609	0.3
237.08766	0.3
253.09483	0.1
277.21771	2.4
278.22134	3.0
279.22372	1.5
280.22653	0.5
288.08255	0.1
289.08441	0.1
306.09171	0.1
388.40912	0.1
397.13599	1.8
398.13986	2.5
399.14130	3.6
400.14398	1.9
415.14706	0.6
416.14923	0.9
417.15210	1.2
418.15396	0.5
678.37579	0.2
717.07416	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	738.3582
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77570	0.1
53.91317	0.1
59.01266	0.9
60.01579	0.1
60.72719	0.1
61.01715	0.1
61.98717	100.0
62.98429	0.2
68.37397	0.1
71.01273	0.6
71.58955	0.1
72.01602	0.1
83.01282	0.1
85.02853	0.1
87.00790	0.1
89.02344	0.5
90.02706	0.1
91.02778	0.1
95.01303	0.1
101.02361	0.5
113.02383	0.2
114.02703	0.1
117.03402	0.2
119.03372	0.1
119.04954	0.2
125.02383	0.2
132.33212	0.1
139.55005	0.1
139.96361	0.1
145.02888	0.5
162.05043	0.1
163.18236	0.1
179.05496	0.1
181.45778	0.1
209.11823	0.4
235.08325	0.2
236.08665	0.1
237.08836	0.1
265.86868	0.1
277.21725	0.8
278.22125	0.9
279.19757	0.1
279.22360	0.5
280.22906	0.1
293.21405	0.3
397.13583	0.5
398.14005	1.0
399.14096	1.2
399.65976	0.1
400.14297	0.5
408.16577	0.1
415.14908	0.1
416.15155	0.2
417.15137	0.5
418.15640	0.2
461.48114	0.1
476.07892	0.1
487.59109	0.1
607.23767	0.1
607.73938	0.1
737.84760	0.2
738.34802	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.2112
Annotation	Kaempferol-3-Galactoside-6''-Rhamnoside-3'''-Rhamnoside
Peak:m/z	Relative Intensity
59.01274	0.5
65.00231	0.9
67.64393	0.5
71.36413	0.5
83.01298	0.6
105.61329	0.4
107.01279	1.4
108.24693	0.6
118.06279	0.4
132.02136	0.9
135.00809	0.9
145.02867	0.9
151.00308	3.9
154.33221	0.4
161.02371	2.0
163.00333	1.2
178.99861	1.4
183.04567	1.1
187.03947	0.8
201.93318	0.4
211.04002	1.9
227.03514	32.4
228.03964	2.3
228.88907	0.4
229.05112	1.0
239.03635	0.9
255.03044	65.6
256.03577	7.6
257.04593	1.9
283.02609	2.1
284.03339	100.0
285.03949	17.9
286.04489	0.7
327.05228	0.7
593.33765	0.5
739.21118	79.4
740.21411	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	739.1901
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01258	0.6
61.98717	0.3
63.02274	0.6
65.00212	1.1
70.85707	0.5
73.28178	0.2
83.01286	0.6
89.02303	0.3
92.23603	0.2
93.03345	0.5
107.01298	1.9
108.02046	0.3
117.03399	1.5
119.04939	1.8
125.02372	0.3
126.68787	0.2
132.02094	1.4
133.02852	0.3
135.00787	0.8
141.16069	0.3
143.04938	0.3
145.02885	4.5
146.03201	0.4
151.00316	3.5
152.00999	0.4
155.04959	0.2
159.04462	0.2
161.02431	0.7
163.00313	0.9
163.03935	1.0
164.01059	0.6
169.01352	0.5
172.05132	0.3
178.99831	1.5
183.04498	1.2
184.04994	0.3
186.62178	0.3
187.03957	0.9
188.04810	0.3
189.05542	0.4
190.99879	0.4
199.03973	0.7
200.04797	0.3
211.03998	2.3
212.04721	0.7
213.01759	0.3
227.03502	43.5
228.03847	3.5
229.04991	1.3
239.03419	1.2
240.04059	0.3
242.42706	0.2
255.03023	81.6
256.03610	10.9
257.04556	2.0
283.02570	2.5
284.03317	100.0
285.03918	16.4
286.04419	0.8
369.98846	0.3
429.07764	0.3
467.26764	0.2
575.12750	0.7
593.15027	1.4
703.25977	0.4
739.18964	61.8
740.19299	12.9
740.32886	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.1902
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31378	0.1
59.01259	0.4
63.02287	0.6
65.00205	1.0
73.02847	0.3
83.01276	0.8
87.00763	0.3
93.03367	0.5
95.01294	0.3
96.53858	0.1
96.95950	0.2
101.02356	0.3
107.01293	2.0
109.02885	0.2
117.03371	2.3
118.03696	0.2
119.04933	2.3
120.02141	0.2
120.05293	0.3
121.02883	0.2
123.00778	0.2
125.02357	0.2
132.02084	1.6
133.02850	0.2
135.00812	1.0
143.04935	0.3
145.02888	5.1
146.03200	0.6
150.03131	0.8
151.00313	3.8
151.03629	0.2
152.01068	0.4
156.01855	0.1
157.06502	0.2
159.04459	0.4
161.02303	0.3
163.00334	1.0
163.03961	1.9
164.01109	0.7
164.04262	0.3
167.04955	0.2
169.01425	0.4
171.04494	0.3
178.99812	1.1
180.03003	0.2
183.04485	1.4
184.04883	0.2
187.03906	0.9
190.99854	0.3
195.04449	0.3
196.05388	0.2
199.03973	0.5
200.04811	0.7
201.05490	0.2
211.04001	2.4
212.04640	0.6
213.01973	0.3
213.05524	0.5
227.03499	46.3
228.03868	3.2
229.05061	1.5
239.03561	1.3
240.04141	0.4
241.05075	0.3
255.03023	86.8
256.03595	11.9
257.04550	1.7
269.04517	0.2
281.04758	0.2
283.02545	2.8
284.03314	100.0
285.03909	15.5
286.04343	0.9
309.04031	0.4
326.03937	0.2
327.05344	0.3
333.41068	0.2
429.08417	0.3
450.36819	0.2
510.13205	0.2
575.13330	0.5
593.15015	1.2
694.19849	0.3
695.20184	2.8
696.20477	0.5
739.18964	67.7
740.19281	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	738.4453
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73530	1.8
55.69004	1.9
57.09757	2.0
59.01257	11.5
60.39287	1.9
61.98717	2.5
67.45848	2.0
70.74809	6.0
71.01266	40.7
75.27908	1.9
81.02081	4.2
82.02879	3.8
89.02327	8.6
94.02879	2.2
96.04459	16.2
101.02334	6.7
101.59608	2.0
107.03634	5.4
108.04445	2.9
113.02313	4.0
122.05957	2.3
161.04411	3.8
168.10243	41.6
178.12347	22.4
179.05618	3.2
195.16356	1.9
196.13458	11.7
204.10286	16.1
207.10153	2.4
222.11351	100.0
223.11662	6.0
240.12439	16.1
253.09343	15.0
263.84073	1.9
277.21609	7.1
279.23364	80.9
279.46890	1.8
280.23526	6.8
402.27954	2.4
440.19058	2.9
458.20300	18.4
459.20605	2.6
463.23166	2.0
476.21503	30.9
477.21399	4.0
612.14996	2.4
721.41986	3.1
738.44196	70.5
739.45007	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	737.4133
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01259	5.2
60.98692	0.8
69.03333	2.6
71.01274	4.6
71.04915	1.8
71.58793	1.5
71.59193	0.9
73.02826	1.0
85.02850	1.1
87.00749	1.2
89.02327	2.6
101.02345	3.3
109.06528	0.9
113.02356	2.5
114.08762	0.9
123.08080	1.2
125.09634	2.1
151.11258	1.9
153.12825	0.9
156.57977	0.9
161.04440	1.8
161.09669	2.9
169.12306	2.2
179.10730	6.7
197.11816	79.0
198.12125	5.0
205.08707	1.9
207.10242	1.1
223.09709	2.4
235.08315	1.1
241.10837	3.7
253.09355	2.8
277.21796	31.4
278.22049	4.1
477.20056	1.4
719.41254	1.2
737.41370	100.0
738.41882	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	737.4132
Annotation	Unknow
Peak:m/z	Relative Intensity
55.88197	0.9
59.01267	7.8
67.13829	0.9
68.60732	1.0
69.03340	4.9
69.14048	1.2
69.54478	7.0
71.01267	8.4
73.02809	1.2
85.02843	2.4
87.00750	1.1
89.02328	2.0
100.79265	1.2
101.02342	4.0
101.09467	1.0
113.02364	1.9
121.02882	2.9
123.08084	1.5
125.09640	2.0
141.75426	1.3
148.07994	1.0
151.11180	3.1
161.02357	1.7
161.04536	2.0
161.09659	4.2
169.12291	3.0
179.10745	7.5
197.11829	42.5
198.12114	2.9
205.08780	1.4
223.09784	2.7
235.08014	1.3
241.10524	1.4
253.09277	3.7
277.21790	58.6
278.22119	7.9
279.23416	1.2
302.91577	1.2
477.20160	1.6
737.41345	100.0
738.41693	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	737.3982
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01768	1.3
57.03334	0.8
58.00476	1.9
59.01265	25.3
65.32809	0.6
69.03338	1.6
69.81020	3.7
71.01269	26.5
72.99203	1.9
72.99648	0.6
73.02496	0.6
73.02825	3.7
79.62457	0.6
83.01289	2.1
85.02834	5.1
87.00775	5.5
89.02333	19.6
95.01280	1.9
95.32772	0.7
96.78632	0.7
97.02840	3.9
97.04963	0.6
98.19850	1.0
99.00780	1.7
101.02342	17.6
109.73817	0.7
113.02370	8.5
119.03409	5.1
125.02373	9.3
131.03442	0.9
133.04997	0.7
139.03896	0.9
141.01654	2.4
143.03423	2.8
145.02914	1.0
160.75336	0.6
161.04514	4.5
179.05591	3.9
179.07024	0.7
207.91624	0.6
211.07568	0.8
217.07227	1.0
221.06734	1.5
225.11432	0.7
226.07246	0.7
235.08243	10.4
253.09286	1.7
279.23343	76.4
280.23718	7.5
287.07813	1.7
305.08987	3.3
323.09958	1.9
384.90524	0.7
397.13589	100.0
398.13995	9.7
415.14673	31.7
416.15115	2.6
421.21027	0.7
473.99222	0.7
677.37512	3.7
737.83685	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	736.4298
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03310	0.6
58.00484	0.6
59.01263	8.2
66.03370	0.9
70.02839	0.5
70.44143	2.0
70.44484	0.5
71.01266	7.5
72.99212	0.9
73.02847	1.5
83.01244	1.1
83.04918	1.1
84.04451	1.7
85.02848	2.1
87.00772	3.5
89.02333	3.2
94.02889	1.0
101.02355	5.6
106.06544	1.7
107.03672	1.2
111.08120	0.6
113.02362	3.9
120.04482	0.7
124.07624	0.6
127.07589	1.4
145.04999	2.3
149.06036	0.9
150.03320	0.5
151.11189	1.7
160.11252	2.9
161.04485	2.4
167.10751	1.1
171.10173	4.2
176.10748	0.7
178.12277	1.6
179.05544	0.6
194.11829	11.6
204.10368	3.1
209.11681	0.7
222.11360	34.2
223.11670	2.3
235.08205	9.1
240.12439	21.7
241.12831	0.9
253.09331	9.1
259.20654	0.6
275.20258	0.8
277.21786	94.3
278.22137	8.8
379.33286	0.5
406.61649	0.5
458.20465	4.2
476.21509	8.0
477.21472	0.8
513.31482	1.3
718.42285	1.7
736.42950	100.0
737.43329	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	736.4297
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	0.6
57.03326	1.0
59.01263	11.2
65.99705	0.4
66.03359	1.1
69.03335	0.5
70.02858	0.6
71.01274	7.6
71.12608	1.1
72.99194	1.1
73.02831	0.7
78.57979	0.4
83.01295	0.5
83.04908	1.5
84.04445	2.9
85.02837	1.5
87.00774	1.2
89.02337	6.8
94.02882	1.3
95.01272	1.0
96.04443	0.5
97.06496	0.6
101.02348	6.3
106.06522	3.0
108.04454	0.5
111.08070	1.0
113.02374	3.0
118.06532	0.6
119.03416	2.1
124.07553	0.6
127.07543	0.6
143.03502	0.5
148.11263	0.7
149.05986	1.2
150.09050	0.6
150.12852	0.5
151.11206	3.3
158.82613	0.5
160.11252	5.6
161.04517	1.4
161.09608	0.7
161.11548	0.5
167.10703	1.5
171.10225	9.5
176.10698	0.9
178.12344	2.6
179.05554	1.1
185.11842	0.7
194.11845	26.9
195.12164	1.4
204.10341	4.6
209.11882	1.0
222.11353	25.7
223.11711	1.1
224.09576	0.5
224.12985	0.7
235.08432	0.7
240.12437	41.9
241.12724	2.6
242.11450	0.6
253.09344	6.2
261.03870	0.5
277.21780	50.4
278.22156	4.3
287.78513	0.5
314.16043	0.7
327.19717	0.5
364.42755	0.5
391.44321	0.5
431.19315	1.2
458.14487	0.6
458.20444	9.5
459.20444	1.1
476.21484	28.7
477.21912	3.3
532.44208	0.5
718.42126	2.4
736.42950	100.0
737.43292	23.4
737.56659	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.4293
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66370	0.4
54.42088	0.2
54.58265	0.2
59.01264	20.3
71.01267	2.5
73.02810	0.5
78.95792	0.6
83.04942	0.3
85.02833	0.6
87.00781	0.6
89.02336	1.7
101.02338	1.9
110.85324	0.3
113.02370	1.2
113.87795	0.3
115.22301	0.3
119.03377	0.4
125.09648	0.6
127.11204	1.4
143.03348	0.3
145.02898	0.3
145.05017	0.4
161.04517	0.7
171.10219	86.2
172.10559	4.1
179.05615	0.5
198.27936	0.3
209.11877	1.5
210.12163	0.7
235.08260	3.9
253.09305	8.0
254.09808	0.4
255.23344	0.3
277.21774	100.0
278.22119	10.9
279.23383	1.4
280.23633	1.4
281.24466	0.9
309.79779	0.3
407.19342	1.0
513.30847	1.2
547.07794	0.3
578.43292	0.3
596.31982	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	736.4293
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01805	0.8
55.01761	0.6
57.03331	0.6
58.02863	1.1
59.01263	6.2
65.13419	0.4
68.99665	0.6
69.03349	0.5
71.01270	24.5
71.14380	1.1
73.02843	1.7
81.02092	1.8
82.02890	1.7
83.01254	0.7
83.04883	0.5
85.02863	1.8
87.00764	2.9
89.02341	2.8
89.15191	0.4
89.21460	0.5
94.02886	1.7
96.04453	8.0
100.39275	0.5
101.02352	5.3
107.03671	2.2
108.04469	1.2
112.01426	0.5
113.02367	2.2
119.03441	1.0
120.08164	0.6
122.06046	0.8
122.09660	0.7
125.09613	0.6
143.03461	0.5
145.05019	2.5
160.11240	1.8
161.04539	2.8
161.09650	0.6
168.10266	14.9
169.10522	0.6
178.12344	10.5
186.09239	1.2
196.13387	3.6
202.70041	0.5
204.10278	8.1
210.69708	0.5
222.11359	59.5
223.11708	4.0
235.08240	12.0
236.08598	0.7
240.12408	6.8
253.09338	12.1
277.21777	100.0
278.22125	9.9
289.50079	0.5
314.16345	0.6
440.19241	1.8
441.20285	0.7
458.20514	5.0
459.20825	0.7
476.21439	6.7
477.21161	0.6
513.30939	0.6
551.09314	0.5
718.41132	0.9
736.42914	49.9
737.43292	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	736.4298
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01798	0.4
55.01753	0.7
57.03347	0.3
58.00481	0.7
58.02859	0.7
59.01265	12.5
66.03384	0.4
68.01309	0.5
69.03337	1.1
70.61113	1.0
71.01270	32.0
72.01617	0.5
72.99209	0.7
73.02829	1.1
81.02090	4.0
82.02872	4.9
83.01286	1.1
83.04885	0.3
85.02853	2.3
87.00781	1.6
89.02341	7.5
94.02884	3.5
95.01270	0.6
95.04930	1.0
96.04450	18.3
97.02840	0.3
97.06465	0.5
99.00797	0.5
101.02345	7.0
106.06544	0.5
107.03696	4.0
108.04460	2.9
109.00919	0.4
109.06559	0.4
110.06043	1.7
113.02354	3.8
119.03415	2.3
120.08116	0.4
122.06023	1.2
122.09657	1.0
123.08070	0.4
125.02370	0.4
125.05984	0.9
127.07553	1.1
129.01826	0.4
135.06851	0.7
135.11719	0.4
136.07524	0.5
139.07553	0.4
141.09126	0.7
143.03415	1.0
150.09140	0.9
160.11240	2.3
161.04480	2.4
161.09692	0.9
162.09204	0.6
168.10255	39.2
169.10599	1.3
169.12096	0.3
170.81596	0.3
176.10825	0.6
178.12338	19.6
179.05560	2.2
179.10782	0.4
179.12634	0.8
186.09192	2.3
192.17365	0.3
195.10245	0.8
196.11665	0.6
196.13416	10.4
197.11853	0.6
197.13663	0.7
198.11409	0.4
204.10283	13.0
205.10674	0.6
206.11803	0.5
222.11359	100.0
223.11768	5.0
235.08278	1.8
240.12425	15.1
241.12749	0.8
253.09331	14.5
277.21780	54.9
278.22147	4.1
296.15131	0.8
314.16107	0.9
440.19479	2.9
458.20432	12.9
459.21088	1.7
476.21481	28.8
477.21744	2.8
515.80505	0.4
574.37793	0.5
605.56818	0.3
613.81976	0.3
676.25677	0.4
718.42303	1.1
719.42731	0.4
736.42938	58.7
737.43201	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	729.2779
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00481	1.0
58.52036	0.7
59.01263	27.1
61.98724	9.6
71.00893	1.3
71.01270	22.7
71.57471	1.1
72.99184	2.1
73.02838	1.8
75.00746	0.9
78.95795	1.5
85.02840	6.6
87.00781	2.3
88.98716	1.1
89.02340	33.0
95.01287	2.4
96.95914	1.1
99.00768	1.0
101.02354	15.7
104.89636	0.7
108.02060	1.4
109.02858	2.3
113.02356	12.5
116.92769	1.9
119.03420	17.4
119.04911	0.9
120.05421	0.8
121.02861	3.5
122.03635	2.0
123.00789	1.9
123.04433	1.5
124.01620	0.9
125.02363	2.8
129.01849	0.8
131.03424	2.4
133.02861	3.3
135.04480	3.8
136.01595	59.0
137.02391	10.6
137.05980	1.5
139.03955	1.7
143.03401	4.1
145.02890	1.5
147.04460	1.9
149.02341	1.6
149.04637	1.5
149.06009	21.2
150.03149	1.6
150.06325	1.0
151.00322	10.5
151.03951	64.3
152.04454	2.5
159.04436	1.1
160.05217	2.3
161.02402	8.6
161.04517	6.9
162.03139	2.2
163.03970	2.3
164.04706	1.2
165.05568	0.9
166.02667	34.1
167.03311	3.0
175.03957	2.2
175.07565	1.3
176.04694	1.3
177.01881	3.2
177.05510	2.5
179.03496	2.0
179.05563	19.8
179.07108	3.7
180.04201	0.6
181.05037	39.7
182.05312	1.6
188.04707	1.0
190.02614	0.7
190.06190	0.8
191.03447	2.8
191.05556	0.8
192.04066	1.1
193.05093	1.4
195.06538	0.8
203.03462	1.2
205.05038	2.4
205.08743	0.9
206.05807	3.8
207.06688	1.3
209.04500	0.9
209.11754	2.5
212.91362	0.7
217.05177	0.9
219.06705	1.2
221.04404	0.8
221.08191	4.0
224.22704	0.7
233.16624	0.9
234.16708	0.8
251.96982	0.8
297.07816	1.2
299.09317	1.1
299.41202	0.9
309.07822	1.6
311.11578	5.1
313.12170	0.7
321.32480	0.8
324.09949	1.0
329.10376	3.1
339.08807	0.9
341.12350	4.8
342.11298	2.2
343.11450	0.9
354.11316	1.1
357.09824	15.9
357.13617	9.1
358.10178	1.3
358.14096	1.3
367.10101	1.0
369.13535	4.6
370.13589	1.2
372.12204	11.4
387.14578	100.0
388.14874	9.7
417.17700	1.1
449.27829	0.8
659.31281	0.9
669.40802	1.6
693.33826	2.4
699.26825	1.3
711.26764	1.3
729.27435	14.4
729.39105	1.2
730.27997	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	729.2269
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79407	0.5
55.01752	0.6
57.03308	0.8
59.01226	2.2
67.01738	0.6
68.99670	2.0
69.03322	1.3
71.01231	2.2
73.02817	0.6
81.02904	0.9
81.03347	8.8
83.00810	0.7
83.01266	6.8
83.04937	0.7
85.02792	1.6
85.47816	0.5
93.03353	5.8
95.01247	2.2
95.04900	4.5
97.02861	5.6
99.04430	2.7
106.71301	0.5
107.04885	2.1
108.01991	0.5
109.02863	3.3
109.06484	1.0
111.00747	1.1
111.04448	3.4
113.02288	2.4
116.92679	0.6
119.04941	8.5
120.05199	0.5
121.02872	4.0
121.06508	1.4
122.03657	0.6
123.00732	1.0
123.04439	16.8
125.02369	13.8
133.02866	1.0
135.04448	6.0
137.01567	0.5
137.02371	5.2
137.05066	0.6
137.06026	8.6
139.03944	10.2
141.05466	0.8
147.04463	4.3
149.02315	1.7
149.05992	2.2
151.03957	3.9
151.07585	0.7
153.05511	1.0
157.47878	0.6
159.04391	0.7
161.02316	2.4
161.05984	2.3
162.02997	0.6
163.03973	4.6
163.07506	1.2
164.04607	1.3
165.01945	2.9
165.05531	8.2
166.02644	1.0
166.05663	0.7
167.03452	29.7
168.03743	1.1
175.03922	1.1
177.01839	1.5
177.05495	2.1
179.02029	0.9
179.03452	9.1
179.07054	1.2
180.04129	1.6
181.04997	2.8
189.05521	9.1
191.03419	2.3
191.05142	0.6
191.07115	0.7
193.05061	3.6
194.05580	0.6
195.06653	0.7
197.04521	4.5
205.04984	1.8
207.02960	0.7
207.06583	2.2
209.04543	27.7
210.04802	0.9
211.90479	0.5
216.22865	0.5
219.02922	1.1
219.06532	1.0
221.04550	5.4
223.06108	1.4
229.08638	1.5
229.52159	0.5
231.06580	0.7
233.04472	2.0
235.06090	1.1
239.05620	13.0
240.05984	0.6
251.05562	4.7
263.05621	2.3
269.06702	1.9
273.07748	4.7
275.05746	0.6
281.06705	1.3
285.07642	1.7
294.10248	0.7
315.08813	17.8
316.09106	1.0
327.08759	7.0
328.09253	1.2
329.10513	0.7
339.08716	1.0
341.10287	1.5
345.09717	5.5
357.09854	100.0
358.10312	8.9
369.06680	0.4
369.09979	4.7
370.10287	0.8
371.11539	1.2
387.10931	70.9
388.11246	7.2
399.10889	4.5
411.10931	0.8
417.12015	19.2
418.12296	2.4
429.11981	1.2
441.11893	3.7
447.80432	0.5
459.13037	6.3
460.13928	1.0
471.12985	2.3
477.14127	14.7
478.14465	1.9
489.14261	4.2
504.58444	0.6
507.15268	2.3
591.17590	2.3
609.18396	6.3
610.18701	1.3
621.18347	1.9
639.20258	0.9
640.19684	0.7
711.21680	1.4
729.22473	10.9
730.23004	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	723.4344
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01774	0.3
57.03326	0.2
58.00505	0.2
59.01265	3.7
69.03345	0.2
71.01270	3.4
71.04915	0.1
72.99218	0.3
73.02841	0.9
79.65401	0.1
80.02567	0.6
81.03355	0.7
83.01287	0.6
83.04916	3.2
84.02072	0.4
85.02845	1.0
87.00765	0.9
89.02338	1.7
91.03915	0.2
93.03342	0.1
95.01276	0.2
95.04915	0.4
97.02864	0.2
97.06492	0.2
98.20541	0.2
99.00793	0.3
101.02350	2.6
103.03916	0.1
109.06520	0.1
111.08102	0.1
112.31512	0.1
113.02357	1.6
115.03912	0.2
119.03411	0.6
125.02383	0.2
125.06020	0.3
127.07583	0.2
133.05014	0.3
135.08095	0.5
143.03419	0.4
145.04979	0.8
147.11732	0.2
157.05025	0.1
161.04515	1.3
163.11238	2.3
164.11565	0.1
165.12811	1.5
169.04956	0.1
179.05553	0.1
181.12320	0.4
191.10742	0.7
205.19614	0.1
209.11830	75.2
210.12172	4.8
210.14207	0.2
227.12898	9.7
228.13246	0.6
229.25237	0.1
233.22711	0.4
235.08257	5.7
236.08586	0.2
253.09334	9.2
254.09715	0.5
254.50029	0.1
259.20685	0.4
275.20218	0.3
277.21780	100.0
278.22131	10.0
278.25357	0.2
405.26761	0.1
405.32144	0.1
410.46234	0.1
427.20016	0.1
445.21005	0.5
450.51785	0.1
513.30829	0.4
603.88702	0.1
723.42902	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.4292
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	14.3
61.75526	0.2
61.98739	0.2
70.88091	0.5
71.01265	1.2
73.02833	0.4
74.39325	0.2
77.32874	0.2
78.95781	0.2
79.08411	0.2
85.02837	0.4
87.00767	0.2
89.02331	1.1
95.01280	0.2
97.11590	0.2
99.08079	0.2
101.02357	1.5
106.06948	0.2
111.27522	0.2
113.02364	0.7
119.03464	0.3
125.09634	0.7
127.11199	1.5
145.02924	0.5
153.09148	0.4
161.04523	0.7
163.04022	0.3
171.10220	100.0
172.10558	3.9
209.11813	0.6
210.12160	0.6
235.08247	1.9
253.09344	4.8
254.09840	0.4
255.23376	0.5
277.21777	48.7
278.22119	4.4
339.31256	0.2
407.19345	3.4
408.19806	0.3
513.30487	0.3
516.89795	0.2
635.73688	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.3139
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99183	0.4
61.98733	0.4
69.85526	1.7
71.01271	6.2
71.04903	0.3
73.02831	0.3
75.06805	0.3
75.62211	0.3
76.62825	0.3
80.33205	0.3
89.83266	0.3
93.03352	4.4
95.04912	0.4
96.99209	3.1
98.20490	0.6
99.04424	1.0
113.05974	0.4
117.03381	12.8
119.04945	42.4
120.05284	1.6
121.02884	1.3
123.04433	1.7
131.04956	0.6
133.02917	0.7
133.09798	0.3
143.04936	2.2
145.02888	45.0
145.06541	1.3
146.03242	1.9
151.11227	2.2
153.12802	5.7
154.89821	0.4
159.08070	0.4
163.03957	38.9
164.04298	1.8
169.06453	0.4
170.89223	0.8
171.04486	0.3
171.13855	1.2
179.14418	0.8
183.08089	0.9
189.09227	0.5
193.06577	0.4
197.11839	2.0
207.13898	4.1
209.05983	0.5
210.06859	17.3
211.07631	100.0
212.07957	7.6
219.08099	0.3
219.10222	0.5
225.14970	0.9
226.92052	0.4
235.07658	0.5
237.09303	0.7
251.12915	20.6
252.13301	1.8
263.09293	17.2
264.09637	1.1
265.08734	4.8
266.09137	0.5
281.10486	0.6
299.16602	6.9
300.16943	0.7
309.07651	1.0
327.08893	0.4
406.98334	0.7
417.20911	0.4
419.22507	0.7
427.14047	14.7
428.14374	2.0
445.20303	0.5
463.21307	4.2
464.21686	0.6
515.22949	55.4
516.23352	6.9
563.26648	0.7
727.31433	17.7
728.31726	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	723.4345
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56361	0.1
54.16929	0.1
55.01764	0.2
56.47015	0.1
57.03336	0.1
57.23836	0.1
58.00499	0.2
59.01265	2.9
69.47612	0.6
70.49963	0.1
71.01266	2.4
71.04929	0.1
72.99193	0.1
73.02831	0.4
80.02570	1.0
81.03349	1.1
83.01275	0.4
83.04915	4.2
84.02069	0.7
84.05238	0.1
85.02831	0.7
85.99993	0.1
87.00772	0.3
89.02339	1.7
89.63305	0.1
93.03374	0.1
95.01299	0.1
95.04922	0.6
95.79780	0.1
97.02852	0.2
97.06478	0.1
98.19827	0.1
99.00761	0.1
101.02345	1.9
107.04944	0.1
109.06509	0.2
111.00819	0.1
111.08058	0.1
113.02361	1.2
119.03412	0.4
123.08101	0.1
125.02374	0.1
125.06007	0.6
125.09657	0.1
131.03452	0.1
133.04990	0.1
135.08101	0.6
143.03429	0.2
145.04991	0.1
147.11732	0.2
161.04526	0.7
163.11237	3.5
164.11525	0.1
165.12805	2.1
166.13168	0.1
179.05554	0.4
181.12352	0.6
181.13846	0.1
182.12619	0.1
191.10747	0.9
207.48778	0.1
209.11818	100.0
210.12157	6.2
225.11244	0.1
227.12886	10.0
228.13205	0.7
233.12086	0.1
233.22821	0.1
235.08223	1.3
251.13051	0.1
253.09322	7.2
254.09712	0.4
259.20667	0.1
267.86884	0.1
275.20181	0.2
277.21771	47.4
278.22122	4.9
278.26712	0.1
445.20920	1.0
446.21350	0.1
723.42590	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.2896
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01768	5.6
57.03336	4.8
57.08014	0.8
58.00475	3.7
59.01266	78.5
61.98710	3.7
65.40684	0.8
69.03278	4.6
71.01270	100.0
71.57089	1.1
72.01614	1.2
72.99198	5.5
73.02835	34.9
75.00752	1.7
78.95786	0.9
81.03350	1.7
81.36031	0.8
83.01276	24.7
85.02846	43.0
86.03203	1.2
87.00298	1.3
87.00773	9.6
89.02341	32.1
95.01281	12.1
96.95902	2.0
97.02859	6.4
99.00773	12.9
99.04362	1.1
101.02349	69.7
102.02668	1.6
111.00768	1.6
113.02360	52.3
114.02701	1.3
116.92775	3.2
119.03414	10.8
119.04928	1.6
125.02371	12.4
129.01839	1.6
131.03397	2.7
133.01396	1.0
133.02847	2.2
135.04419	3.6
138.46837	0.8
141.61432	0.8
143.03435	12.0
145.02850	1.8
149.04550	1.2
149.05980	2.0
158.58116	0.8
159.02945	5.0
161.02490	6.9
161.04497	30.4
163.03928	1.2
175.03719	1.0
179.03369	1.3
179.05566	3.6
191.05545	1.5
205.03444	1.2
218.24557	0.8
221.06644	1.3
249.06093	1.6
249.14999	1.2
305.17523	0.9
315.18213	12.0
316.18613	0.9
357.19260	1.9
428.40906	0.9
459.22507	21.5
460.22803	3.2
477.23529	81.5
478.23886	12.3
519.24615	17.0
520.24847	2.6
543.24286	1.4
621.27753	29.6
622.28040	4.7
639.28827	83.6
640.29187	17.1
663.77692	1.0
681.29865	52.1
682.30212	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	723.1953
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22128	0.9
57.03337	5.3
59.01261	2.3
69.03333	0.9
69.28949	3.9
69.29377	6.7
69.33443	0.9
70.54917	0.9
71.01283	1.2
81.03355	2.4
83.01269	6.3
93.03356	4.2
95.04929	3.6
96.95927	1.1
97.02856	3.4
98.19735	2.1
107.04924	1.6
109.02141	1.6
109.02858	20.6
110.03220	1.1
119.04946	2.3
121.02855	4.4
122.03651	1.3
123.04439	16.0
125.02371	32.1
131.04980	1.0
133.02847	4.0
135.04434	3.8
137.02365	16.8
137.06015	13.2
139.03928	4.8
143.04948	1.0
145.02896	1.4
149.02371	7.5
149.06030	1.3
150.03133	1.4
151.03925	10.2
152.70099	1.0
159.04439	3.3
160.05176	1.3
161.02411	12.5
161.05986	6.7
162.03091	2.0
163.00343	1.3
163.03966	4.0
164.01077	12.5
165.01909	4.7
167.03401	2.7
175.02515	1.4
175.03951	4.3
177.01892	4.6
177.05540	1.2
179.03519	6.5
185.06032	2.0
187.03952	6.8
188.04724	3.6
189.05467	2.9
191.05653	2.4
201.05598	1.5
202.06294	1.4
203.03586	1.7
203.07100	13.7
204.07550	1.1
205.01509	1.4
205.05063	8.4
209.06036	2.2
213.05460	1.3
215.03474	1.4
216.59996	1.1
217.08664	1.8
221.08238	2.4
225.05684	1.8
227.07097	3.8
228.04175	1.0
229.05061	3.1
231.03151	1.2
243.03020	1.9
245.08214	16.7
247.06032	1.2
253.05096	21.8
254.05374	2.0
255.02975	3.7
255.06641	5.3
256.03693	1.8
257.04657	2.4
267.03030	1.1
267.06815	1.2
271.06168	7.7
273.07706	3.8
278.55264	1.3
281.04550	2.0
285.03998	1.9
289.07236	100.0
290.07593	7.3
290.54642	1.0
293.08249	2.2
295.02478	2.1
311.82178	1.1
339.08853	1.6
407.07660	13.5
408.07956	2.4
417.09897	3.1
419.07693	3.0
425.08749	1.8
433.11536	8.5
434.11465	1.6
435.10837	9.5
525.11987	12.0
526.12250	2.1
543.13062	4.1
597.16107	5.0
691.20587	1.6
723.19635	7.4
724.20355	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.1794
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64070	0.8
59.01266	1.2
60.99196	1.2
67.01784	3.3
71.01257	2.1
71.56644	1.0
77.90488	0.9
85.02843	6.5
87.00793	6.3
93.03358	23.6
93.03925	1.8
105.03400	0.9
109.02871	1.6
111.04430	3.0
123.03537	1.5
123.04440	27.6
125.02312	1.3
127.03918	1.8
129.01894	1.3
133.02853	8.1
135.04428	1.7
137.02385	1.0
149.02335	1.2
151.03909	1.5
161.02374	1.7
171.94356	0.8
173.04498	15.4
177.01892	16.1
191.05580	100.0
192.05894	4.7
195.02991	7.1
215.05664	1.5
225.51515	0.9
292.78394	0.9
351.07266	2.6
353.08841	5.4
369.08337	33.9
369.12988	2.0
370.08691	3.7
524.06342	1.0
533.10345	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.4189
Annotation	Trungapeptin A
Peak:m/z	Relative Intensity
57.03318	0.4
59.01262	6.8
61.98722	0.4
69.03339	0.5
69.94558	0.3
71.01270	4.0
71.04919	0.4
73.02838	1.2
80.02570	0.5
81.03336	1.0
83.01266	0.5
83.04912	1.1
85.02845	1.3
87.00777	1.3
88.98709	0.7
89.02328	2.3
95.01289	0.8
97.02843	3.9
99.00777	1.1
101.02351	4.5
106.04124	0.4
107.04918	0.5
109.02845	0.3
109.06499	14.4
110.03671	0.7
110.06850	0.6
113.02343	1.9
119.03414	1.1
121.06489	1.0
125.09599	0.4
129.01871	0.5
135.08099	2.4
136.05222	1.0
142.02650	1.0
143.03415	0.4
145.04974	0.9
161.04538	1.7
161.09666	1.2
163.11238	9.9
165.09148	0.5
179.10736	0.5
181.12402	1.9
189.09184	2.8
207.10252	54.7
208.10564	2.9
209.11852	1.0
225.11334	16.1
226.11633	0.9
235.08266	6.3
253.09326	10.8
254.09740	0.5
275.20081	0.6
277.21777	100.0
278.22150	8.1
281.13937	0.4
299.14963	0.9
322.51984	0.4
441.33768	0.9
443.19409	3.3
461.20496	5.1
462.20847	0.4
467.32086	0.7
485.32233	0.4
513.30640	0.8
559.36670	0.5
678.46387	0.4
703.41168	1.1
721.41907	29.5
722.42236	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	721.4185
Annotation	Trungapeptin A
Peak:m/z	Relative Intensity
57.03321	0.4
57.17775	0.4
59.01267	10.9
69.03332	0.6
70.58345	0.4
71.01278	5.1
71.58807	0.6
72.99203	0.5
73.02831	0.6
74.26260	0.4
75.00751	0.5
78.71160	0.4
80.02576	0.9
81.03362	2.2
83.01278	0.8
83.04907	2.4
85.02847	1.7
87.00783	0.8
89.02341	3.4
91.36036	0.4
91.85746	0.4
93.03355	0.4
95.01283	0.6
97.02848	5.7
99.00785	1.3
101.02350	5.5
105.56063	0.4
107.04958	0.9
109.06502	33.5
110.03632	0.7
110.06834	0.9
113.02366	2.7
118.22997	0.5
119.03451	1.0
120.43044	0.4
121.06509	2.2
122.32864	0.4
125.09616	0.6
128.36307	0.4
135.08084	3.4
136.05217	0.9
142.02625	1.7
159.04425	0.6
161.04536	1.5
161.09677	2.5
162.76680	0.4
163.11234	17.5
164.11555	0.9
179.05577	0.9
179.10683	0.5
181.12320	3.6
189.09166	3.2
207.10252	100.0
208.10594	6.5
209.11813	1.3
221.11884	0.4
225.11325	39.6
226.11562	2.0
235.08197	2.9
243.12439	0.7
251.68910	0.4
253.06682	0.8
253.09332	14.3
254.09483	0.4
277.21780	72.6
278.22128	7.4
281.13913	1.0
299.14990	1.3
313.17935	0.7
325.50406	0.4
339.16046	0.5
423.32635	0.9
434.29755	0.4
441.33749	1.5
443.19330	5.5
443.88388	0.4
444.19693	1.0
461.20407	13.6
462.20663	1.8
467.31564	0.5
468.31631	0.5
485.32822	0.8
493.29950	0.7
525.31976	1.0
530.20337	0.4
666.96350	0.5
703.40881	1.4
721.41864	37.2
722.42133	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	721.1667
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01259	0.3
63.11229	0.1
66.88420	0.1
68.80922	0.1
71.01264	0.2
71.58179	0.1
72.99194	0.2
73.02869	0.1
73.62359	0.1
79.95630	2.3
81.29022	0.1
83.91471	0.1
87.00747	0.1
89.02370	0.2
90.68121	0.1
96.95919	100.0
97.95834	0.3
101.02357	0.3
113.02446	0.1
123.00909	0.1
123.93936	0.1
133.02896	1.0
135.04454	0.8
149.06046	0.6
153.14966	0.1
161.02399	2.8
162.02762	0.2
177.01933	0.2
179.03497	0.2
190.17073	0.1
315.10950	0.1
347.32660	0.1
430.08170	0.1
461.16629	0.2
623.19922	2.0
624.19965	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.3667
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03330	0.9
58.00483	1.2
59.01267	33.1
61.98720	1.1
69.03342	1.5
69.65199	0.7
71.01273	29.0
71.59266	1.6
72.99189	2.5
73.02838	6.1
74.12896	0.8
75.00786	1.4
78.95838	0.8
81.03351	1.3
83.01266	2.3
85.02835	5.0
87.00772	5.0
89.02340	24.1
90.27721	0.8
95.01318	1.3
96.95943	1.1
97.02866	3.8
99.00796	1.8
100.56599	0.9
101.02350	21.6
113.02359	10.4
119.03416	6.7
125.02364	8.4
143.03450	4.7
149.04498	1.1
159.23448	0.8
161.02405	0.9
161.04521	5.6
163.03912	1.7
179.05569	4.8
211.07620	2.2
221.06738	1.0
235.08267	12.0
251.34549	0.8
253.09473	1.4
263.20206	67.4
264.20621	5.5
287.07761	4.0
305.08856	4.0
307.48361	1.0
323.10269	1.0
325.95175	0.8
331.15720	2.0
372.39822	1.0
397.13602	100.0
398.13922	8.0
415.14670	32.9
416.15060	2.6
559.25494	0.8
661.34082	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.4175
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62483	0.3
58.00485	0.9
59.00996	0.6
59.01266	7.7
61.46172	0.4
69.03317	0.9
70.88288	0.5
70.88641	1.0
71.01273	6.6
72.53091	0.3
73.02830	1.1
80.02573	0.5
81.03355	1.0
83.01291	0.9
83.04908	1.4
85.02843	1.6
87.00776	1.4
89.02346	4.5
95.01275	1.3
95.04926	3.7
97.02864	3.3
97.06505	0.7
99.04416	0.6
101.02350	5.3
106.04147	1.2
109.02848	1.0
109.06506	6.9
110.03669	2.0
111.04422	1.0
113.02335	3.1
119.03416	1.1
119.26624	0.4
121.06525	0.7
124.97728	0.4
125.02363	0.5
125.09687	0.6
135.08102	1.1
136.05177	0.4
136.92860	0.4
143.03435	0.5
145.04985	0.7
145.10143	0.7
148.86903	0.4
149.09691	0.9
153.12782	0.9
161.04514	1.8
161.09642	1.9
163.07579	0.8
163.11237	8.6
164.11563	0.7
165.09248	0.4
169.12312	0.6
179.05566	2.2
179.10786	2.0
181.12314	2.1
181.95685	0.4
182.12711	0.4
189.09192	4.7
190.09645	0.6
192.07866	0.4
197.11812	1.9
207.10252	31.3
208.10603	1.8
209.11771	0.5
211.07549	0.7
225.11331	100.0
226.11662	6.9
226.25923	0.4
235.08249	5.2
253.09326	8.7
255.23344	0.4
259.20700	0.5
275.20276	0.5
277.21786	53.7
278.22134	4.3
299.15155	0.7
443.19321	7.7
444.19272	0.5
461.20377	18.5
462.20752	2.4
513.30762	0.5
574.63452	0.6
721.41852	10.5
722.42316	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	719.2577
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	0.3
58.00492	0.2
59.01266	8.4
69.03363	0.2
71.01271	4.6
72.99209	0.6
73.02836	1.6
78.04153	0.2
83.01279	0.2
85.02843	1.9
85.99995	0.4
87.00788	1.6
87.04425	0.9
89.02343	4.0
91.02997	0.2
92.26800	0.2
98.20580	0.4
101.02354	4.7
103.03930	0.5
105.03350	0.7
113.02361	2.8
115.01823	0.5
115.03922	0.8
117.03407	0.5
119.03429	2.4
123.04461	0.5
125.02386	0.3
131.03429	1.4
132.02107	2.4
133.02888	40.4
134.03316	1.6
135.04462	5.1
136.04784	0.3
143.03458	1.8
145.02953	0.3
146.03656	0.2
147.04456	0.4
159.04446	0.8
161.02402	100.0
162.02744	5.2
172.05310	0.3
173.06050	0.9
175.03979	0.4
176.04831	0.2
179.03459	3.6
181.08611	0.3
187.03996	0.5
187.07631	5.8
188.08153	0.5
189.23880	0.2
201.05574	0.9
202.06343	8.0
203.03505	0.3
203.06773	0.8
203.10748	0.4
205.05475	0.2
205.07149	1.2
213.09247	0.4
216.07854	0.8
219.10181	0.3
220.07434	0.5
222.34666	0.2
231.10295	9.9
232.10716	0.9
249.11340	1.1
250.52383	0.2
255.26393	0.2
303.12756	0.3
345.13467	0.4
357.13455	0.3
375.14340	0.4
393.15219	0.5
397.79047	0.2
411.16797	3.3
412.16916	0.4
487.14630	0.5
528.18195	0.3
539.21545	0.9
557.22498	12.3
558.22821	2.0
583.20752	0.8
701.24915	1.9
702.24329	0.4
719.25714	69.7
720.26019	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	721.4187
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01775	0.6
57.03320	0.5
59.01266	10.7
61.98720	0.4
69.03329	0.7
70.14713	1.8
71.01268	5.0
72.99192	0.7
73.02835	1.2
80.02586	1.0
81.03345	2.7
83.01288	1.0
83.04898	2.5
84.02032	0.3
85.02849	1.3
87.00778	1.2
89.02346	4.1
93.03355	0.4
95.01299	0.5
95.04941	0.8
95.43797	0.3
97.02855	5.9
99.00782	1.5
101.02348	4.9
106.04134	0.5
107.04956	1.0
109.06503	29.7
110.03617	0.8
110.06850	1.2
110.14466	0.3
111.00796	0.6
113.02357	2.5
119.03442	0.8
121.06516	2.4
123.04447	0.4
125.09696	0.4
135.08084	3.5
136.05219	0.9
142.02673	1.7
143.03448	0.4
145.05046	0.4
145.10246	0.4
149.04433	0.3
161.04497	2.1
161.09636	1.6
163.11232	17.9
164.11501	0.9
179.05632	0.9
179.10710	0.6
181.12289	3.3
189.09210	3.3
207.10251	100.0
208.10585	6.1
209.11818	1.4
225.11331	35.8
226.11638	2.1
233.22816	0.4
235.08217	3.6
243.12398	0.9
253.09331	13.0
254.09779	0.7
259.20673	0.4
277.21786	80.1
278.22131	7.8
281.14127	0.5
299.15207	1.3
300.61423	0.4
385.39996	0.4
423.32727	0.7
441.33871	1.9
443.19412	5.0
444.19659	0.5
461.20392	12.0
462.20557	1.5
467.31842	0.9
476.26709	0.4
485.32809	0.6
520.92487	0.4
559.36438	0.5
629.32184	0.6
703.40985	1.0
721.41809	32.8
722.42212	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	718.3312
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48551	1.0
51.42596	1.1
58.82929	1.1
59.01267	12.2
61.68070	1.1
61.98707	6.1
71.01271	6.3
71.59280	1.5
73.02851	1.2
80.02549	1.8
81.03340	3.8
83.01283	1.6
83.04909	7.7
85.02846	1.9
89.02335	4.1
96.95922	1.4
97.02846	6.0
101.02351	5.9
109.05813	2.3
109.06503	30.2
113.02354	2.7
119.04914	1.6
121.06550	1.3
125.09635	2.0
133.02858	1.8
135.04445	2.2
135.08101	4.0
142.02669	1.3
161.02373	3.2
161.04520	1.4
161.09692	1.5
163.11226	19.5
165.12762	1.8
171.10239	1.5
181.12283	4.8
184.44212	1.1
185.11795	3.6
189.09248	2.1
191.10773	1.4
207.10246	76.0
208.10555	5.5
209.11815	100.0
210.12242	7.2
225.11322	36.4
226.11649	2.1
227.12881	18.8
228.13232	1.8
235.08275	4.2
236.33736	1.2
243.12486	1.5
249.11441	2.3
253.09297	12.6
399.21964	7.7
417.23026	7.3
443.19305	5.1
461.20334	14.3
462.20633	1.3
500.48526	1.3
635.30804	15.9
636.31335	4.5
653.31934	19.7
654.32318	4.1
671.33057	25.0
672.33521	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	718.3674
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32961	0.7
53.36113	0.8
59.00992	0.9
59.01271	9.2
61.98713	4.4
63.06198	0.7
69.63710	5.8
71.00894	1.7
71.01269	24.7
73.02847	1.7
80.02596	1.3
81.02090	2.5
81.03359	1.1
82.02881	2.2
83.01253	1.2
83.04917	5.6
85.02862	2.3
87.00782	1.8
88.98719	1.0
89.02355	4.4
94.02888	1.8
95.04935	1.6
96.04453	11.9
96.05013	1.5
96.95897	3.8
97.02863	0.7
99.00784	0.8
101.02342	6.4
107.03691	2.9
108.04491	1.3
109.06521	1.0
113.02332	3.3
119.03380	1.0
119.04939	1.2
125.06001	0.9
125.09628	1.3
133.02911	6.2
134.03603	0.9
135.04451	4.9
135.08131	1.1
143.03369	1.0
145.02985	0.8
145.04996	1.4
148.11252	0.8
160.11298	1.5
161.02399	14.3
161.04507	2.2
161.09657	0.9
163.11249	3.4
165.12781	2.1
168.10258	22.6
169.10614	0.9
171.10188	0.8
176.10812	0.8
177.05595	1.0
178.12328	13.9
179.03477	4.8
179.05615	1.7
186.09065	1.1
191.10783	1.4
196.13445	4.4
203.03485	1.2
204.10260	5.9
205.10410	1.1
207.10416	1.1
209.11819	100.0
210.12149	4.8
211.13254	1.2
221.04591	1.5
222.11359	57.3
223.11739	3.4
225.11325	1.0
227.12878	14.3
233.99129	0.7
235.08218	5.9
240.12375	9.0
253.09331	12.4
273.17181	7.5
440.19370	0.9
458.20392	8.2
476.21417	11.8
477.21646	1.7
487.14728	3.2
615.23474	1.7
622.19171	1.5
642.31494	1.2
650.32428	1.0
668.33087	6.9
686.34033	51.1
687.34326	8.5
718.29156	2.1
718.79663	1.6
719.26709	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	719.2572
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61256	0.3
51.45041	0.3
59.01265	8.1
64.55630	0.3
69.48569	2.5
71.01269	5.7
72.99196	0.4
73.02841	2.2
81.21531	0.3
83.01290	0.5
85.02824	1.8
85.99991	0.4
87.00738	1.8
87.04409	1.0
89.02336	4.8
95.00590	0.3
98.19753	0.4
101.02341	4.8
103.03958	0.4
105.03388	0.5
113.02362	3.5
115.03940	1.6
117.03374	0.7
119.03426	2.6
125.02351	0.5
131.03471	2.1
132.02086	1.7
133.02879	30.8
134.03593	1.0
135.04449	7.0
143.03413	2.8
145.04976	0.8
145.82306	0.3
146.03761	0.5
147.04445	0.4
158.03696	0.4
159.04445	1.0
161.02388	100.0
162.02733	4.6
163.06023	0.4
173.06000	1.2
175.03954	0.5
177.05513	0.6
179.03450	6.5
187.03989	1.0
187.07619	6.6
201.05568	1.2
202.06323	9.9
202.08221	0.5
203.03651	0.4
203.06682	0.9
205.07204	1.2
213.09229	0.6
216.07973	0.7
219.10172	0.4
220.07611	0.3
221.04501	1.1
231.10280	12.4
232.10721	1.0
249.11427	1.5
291.50085	0.4
373.83484	0.4
393.15573	0.5
411.16742	4.2
487.14917	0.5
539.21088	0.8
557.22534	9.0
558.22852	1.6
583.20544	1.0
701.24670	1.1
719.25696	39.6
720.26154	9.4
720.37671	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.2645
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03333	2.7
58.00473	5.8
59.01265	99.3
61.98722	4.5
64.01815	2.7
65.99725	1.4
68.99673	1.2
69.03341	1.3
71.01270	79.8
71.58178	2.1
72.87115	1.1
72.92850	0.9
72.99198	7.8
73.02846	3.0
74.09521	0.9
79.26511	1.1
79.64340	1.0
83.01276	3.5
84.44653	1.1
85.00185	1.0
85.02843	14.2
87.00793	5.6
89.02339	100.0
93.03365	1.7
95.01289	7.0
96.95893	2.3
99.00789	1.6
101.02349	34.3
101.51585	1.3
101.93184	1.0
108.01996	2.6
109.02908	1.7
112.39332	1.0
113.02368	32.0
116.04999	1.9
119.03417	38.7
119.04849	2.1
120.01172	7.6
121.02869	3.7
122.03604	2.6
123.04397	2.1
125.02364	3.5
131.03404	5.6
133.02905	6.1
135.04460	12.2
136.01593	9.4
136.04810	1.9
136.12817	1.2
137.02365	4.8
139.03865	1.3
143.03415	8.4
145.02869	4.8
146.03604	3.2
147.04494	1.7
149.02385	4.8
149.04492	4.2
149.06020	4.1
150.03174	8.3
151.03972	11.5
160.05199	1.5
161.02415	17.2
161.04486	7.8
161.05931	2.3
162.01910	2.1
162.03175	19.6
163.03935	2.1
164.04791	2.5
165.05464	3.1
167.03476	2.2
173.05977	1.4
175.03970	3.0
177.01917	4.2
177.05534	20.9
178.05899	1.5
179.03484	4.3
179.05583	30.5
179.07103	2.9
180.04240	1.5
181.04987	1.4
190.06340	1.4
191.05518	1.6
195.06473	2.4
203.08182	3.9
218.02737	2.0
224.01907	1.4
226.03557	2.4
268.04666	2.5
315.10880	3.2
327.12463	1.3
343.11990	1.3
357.13364	3.9
383.10016	1.5
499.47330	1.3
505.18759	14.5
506.18991	2.9
517.18878	1.9
533.77045	1.3
535.19739	9.0
668.17792	6.4
669.18646	4.5
715.16040	6.2
716.21350	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	716.3736
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30449	0.1
59.01260	0.7
60.01588	0.1
61.98716	100.0
62.98410	0.1
70.30183	0.4
70.50185	0.1
71.01274	0.6
85.02839	0.1
87.00801	0.1
89.02310	0.4
101.02355	0.4
102.02712	0.1
113.02359	0.2
125.02395	0.2
126.02666	0.1
174.52527	0.1
255.23262	0.6
256.23694	0.9
257.23990	0.3
258.24265	0.1
287.30585	0.1
397.13730	0.4
398.13800	0.8
399.14182	0.9
400.14297	0.7
416.15469	0.1
417.15335	0.3
418.15836	0.1
519.87109	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	20.5
60.60582	1.8
61.98700	3.2
64.01814	13.8
65.00223	2.1
65.99458	1.8
65.99738	17.4
66.58713	1.7
71.01275	14.8
71.60295	2.1
72.99201	3.1
73.02836	6.1
76.29073	1.8
85.02841	6.3
85.99976	2.5
87.00770	8.3
87.04439	2.5
89.02338	5.0
94.02884	3.5
95.01295	3.6
96.95911	2.6
97.09770	1.8
99.00784	5.0
101.02336	5.9
105.03364	4.2
106.02857	2.0
107.01311	2.6
109.02854	5.3
113.02330	5.5
115.03893	1.7
119.04911	1.8
120.00827	13.8
121.02857	10.4
122.02391	9.3
123.00850	2.1
123.04441	3.1
124.03918	2.6
125.02354	2.3
131.03413	4.4
132.02069	2.9
133.01804	3.3
133.02887	41.9
134.02385	8.9
134.03537	2.6
135.04454	38.3
136.03963	3.1
137.02390	8.6
143.03412	2.0
145.02760	1.9
146.02409	2.6
147.03206	4.4
147.04436	2.6
148.01553	2.3
149.02361	27.5
149.05986	11.4
150.01901	8.7
150.03148	31.3
151.03886	4.8
161.01138	4.9
161.02382	37.8
162.01894	31.7
162.03172	2.1
163.02525	2.9
163.03922	2.5
164.03516	8.9
165.00587	6.6
166.01292	2.6
175.03943	4.4
176.01138	10.4
177.01904	31.4
177.05518	15.7
178.01317	10.5
179.02138	15.1
179.03471	26.9
180.02936	25.2
180.04140	1.9
190.01358	9.0
191.03763	2.0
191.05598	7.5
198.04008	4.1
203.03577	2.3
206.00978	7.0
219.02979	2.1
221.04527	16.8
224.02048	18.2
242.08223	2.4
251.05621	3.2
254.31572	1.8
266.03091	23.2
277.21475	1.8
281.06711	11.1
282.06720	2.3
296.04190	1.8
326.05219	14.1
352.06958	8.2
360.09216	4.8
384.05731	3.4
486.13882	5.6
487.14667	2.2
506.15317	26.5
532.13342	14.3
533.13196	2.5
548.15875	3.7
619.17023	3.5
666.16925	94.4
667.17340	38.2
668.17163	3.5
713.16931	100.0
714.17352	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	713.1699
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	10.7
61.00773	1.1
64.01812	19.9
64.49230	1.1
65.00191	1.6
65.99734	14.8
66.03361	2.1
68.99697	1.1
69.03301	1.5
70.88464	2.4
71.01265	11.2
72.50170	1.1
72.99179	2.3
73.02831	4.4
78.03378	1.7
81.03344	2.0
83.01261	2.6
85.02837	7.7
85.99995	1.6
87.00771	7.1
87.04377	2.1
89.02341	2.8
90.03408	1.8
91.01688	1.1
92.01295	1.4
93.03362	2.8
94.02889	6.3
95.01279	5.6
97.02824	1.8
98.56567	1.2
99.00759	2.7
101.02346	5.6
104.02559	2.4
105.03387	2.3
106.02882	3.4
107.01311	7.1
109.02847	2.2
111.00777	1.3
113.02351	5.5
115.03928	1.3
116.01299	2.1
118.02837	2.3
119.03558	1.1
120.00816	14.7
121.01608	2.6
121.02853	8.9
122.02390	10.4
122.03636	3.0
123.00762	2.0
123.03201	1.9
123.04423	3.2
125.02364	1.5
127.03848	1.3
131.03398	3.1
132.00876	1.4
132.02051	1.8
133.01630	3.9
133.02882	34.8
134.02383	13.2
134.03618	5.4
135.04445	19.5
136.03946	3.9
137.02354	6.7
138.03122	3.7
139.03902	1.6
143.03429	3.6
145.02893	1.2
146.02382	2.3
147.03229	1.7
147.04416	1.2
148.00391	1.2
148.01544	2.7
149.02385	12.3
149.05984	1.5
150.01888	11.7
150.03139	30.4
151.03911	2.6
152.03426	2.1
160.00333	1.9
161.01100	3.2
161.02368	31.9
162.01884	30.2
163.02553	3.7
163.06023	1.1
163.99860	2.6
164.03506	10.0
165.00655	3.5
166.01387	3.8
168.06613	1.4
169.80992	1.3
175.00357	1.4
175.03911	2.3
176.01134	7.5
176.03438	1.3
177.00484	2.0
177.01898	26.2
177.05528	2.8
178.01369	12.2
178.02568	1.3
179.02147	18.1
179.03461	18.3
180.02962	21.2
184.37505	1.1
188.74873	1.1
190.01416	6.8
191.02000	2.0
195.03024	1.7
197.04593	1.3
198.04085	10.4
202.02733	1.3
203.03499	9.8
205.07126	2.6
206.00934	20.5
208.02463	2.4
217.25462	1.1
221.04565	2.4
224.01987	20.7
229.04713	1.1
256.04236	1.2
266.03046	8.6
280.04681	1.7
281.06876	1.6
326.05338	7.2
352.06848	13.9
356.06226	2.2
360.09406	2.8
384.05814	3.6
486.13422	1.4
488.14099	1.5
504.13715	4.1
505.13937	1.7
506.15137	15.9
507.15894	1.5
522.12610	3.2
532.13257	6.2
548.16382	6.4
655.95752	1.4
666.16931	52.9
667.17603	66.8
668.17914	12.2
713.16943	100.0
714.17316	23.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.1951
Annotation	Unknow
Peak:m/z	Relative Intensity
56.84578	0.6
59.01265	6.8
59.69102	0.6
60.99199	5.0
71.01279	5.2
72.99202	0.9
73.02844	1.1
85.02825	1.1
87.00796	1.7
88.76382	0.5
88.98699	16.4
89.02348	4.8
101.02326	3.5
102.96037	0.6
107.04932	0.7
107.85385	0.6
110.12335	0.6
113.02351	1.8
117.03369	1.1
119.03431	3.2
123.04453	1.3
132.02101	1.4
133.02881	31.9
134.03163	0.9
135.04451	15.7
135.17232	0.6
136.04778	0.9
137.02388	2.0
143.03502	0.9
151.04034	1.0
161.02391	100.0
162.02724	4.8
163.03938	0.7
177.01949	1.2
179.03476	2.8
179.05592	1.7
181.61716	0.7
191.05614	0.8
205.07266	1.1
229.11525	0.7
233.67892	0.7
249.07658	1.0
315.10925	5.1
461.16611	4.9
462.16891	1.1
487.14880	1.1
608.89032	0.7
621.18903	0.8
623.19958	83.4
624.20374	12.8
713.21552	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.1953
Annotation	Unknow
Peak:m/z	Relative Intensity
55.20867	0.6
59.01270	6.7
60.99202	9.6
62.66003	0.6
71.01274	5.7
72.99207	0.8
73.02834	2.6
80.33257	0.6
80.55912	0.6
85.02843	2.4
87.00776	2.0
87.04406	1.1
88.98703	42.5
89.02341	4.2
89.99094	0.9
99.92529	0.7
101.02321	3.9
103.03932	1.0
113.02355	2.6
115.03922	0.8
116.91380	0.5
116.92779	4.2
117.92813	1.7
118.92604	1.0
119.03411	2.3
123.04370	0.9
131.03387	1.7
132.02039	1.2
133.02885	27.9
134.03473	0.8
134.51598	0.6
135.04460	13.5
137.02411	0.7
143.03429	2.1
149.05995	0.8
153.05511	0.9
161.02396	100.0
162.02713	4.5
163.04002	0.6
163.06007	0.6
177.05493	1.3
179.03444	3.6
191.05553	0.9
205.07143	2.3
221.04549	1.9
304.81564	0.6
315.10919	6.7
461.16837	7.1
623.19989	98.8
624.20294	18.2
653.60822	0.7
659.38922	0.7
713.18854	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.3385
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	18.6
71.01268	13.7
73.02850	2.4
87.00744	3.2
88.09666	1.9
89.02343	13.6
97.02852	2.7
98.20586	4.4
101.02328	14.0
113.02341	5.8
119.03407	3.8
125.02365	5.5
135.07649	2.0
143.03438	2.3
161.04512	3.6
165.01750	2.0
167.36086	1.7
179.05594	5.1
235.08171	5.2
277.21811	47.0
277.24835	2.5
278.22079	5.6
287.07947	3.1
305.08826	3.4
397.13620	100.0
398.13950	12.4
415.14697	28.4
416.15137	2.8
416.50601	2.3
439.60654	2.4
675.35980	8.0
711.33685	57.5
712.34247	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	713.17
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05478	1.4
55.01742	1.2
57.03317	1.2
57.69438	1.1
59.01268	16.3
59.17388	1.1
64.01489	1.7
64.01807	27.9
65.00201	2.3
65.99734	18.5
66.03362	3.0
66.68385	1.1
69.03326	1.9
70.52507	3.1
71.01266	14.4
72.99196	2.8
73.02827	5.1
83.01266	1.8
85.02834	7.6
87.00760	8.5
87.04405	1.7
88.98689	2.5
89.02341	5.3
92.01335	5.9
93.03349	2.1
94.02895	6.9
95.01276	6.3
99.00784	3.2
101.02360	7.3
104.02575	4.2
105.02122	2.2
105.03368	5.7
106.02899	3.9
106.04009	4.8
107.01299	9.7
109.02843	4.4
111.00794	3.3
113.02345	6.5
115.03929	2.7
117.35172	1.1
118.02877	3.6
119.03396	3.6
119.04939	1.6
120.00835	24.0
121.01602	1.4
121.02883	13.2
122.02406	14.1
122.03712	2.9
123.00774	3.8
123.03155	2.6
123.04415	4.9
124.03972	1.4
125.02388	1.7
131.03395	4.1
132.00848	2.8
132.02000	2.9
133.01634	7.9
133.02879	69.7
134.02377	19.4
134.03581	7.4
135.04449	44.0
136.03955	7.6
136.04845	3.0
137.02371	13.8
138.01901	1.6
138.03101	3.4
139.03899	1.6
143.03461	3.4
145.02879	3.8
146.02403	4.7
147.00801	1.8
147.03185	2.2
148.01569	4.6
149.01228	2.6
149.02382	22.5
149.06064	1.6
150.01897	14.9
150.03143	39.8
151.00174	1.1
151.03955	5.5
152.03458	1.8
160.01474	1.6
160.04013	2.0
161.01176	3.7
161.02385	55.2
162.01892	57.8
163.02614	5.4
163.03926	1.9
163.06107	2.5
163.99838	3.1
164.03493	14.3
165.00597	4.8
166.01375	4.0
167.02191	1.3
175.00328	2.7
175.03929	3.5
176.01125	13.5
176.03418	2.0
177.01900	86.4
178.01259	16.0
178.02724	2.7
179.02147	25.9
179.03461	36.1
180.02939	33.0
181.03342	2.0
187.99890	1.8
189.05516	2.3
190.01457	10.6
191.02081	1.8
191.03827	1.7
191.05551	8.7
192.03000	1.3
198.04054	7.6
203.03458	4.3
204.02892	1.5
205.07108	4.4
206.00960	25.6
207.01288	2.3
208.02544	2.9
223.01172	4.5
224.01997	50.3
266.02957	2.7
315.10907	1.7
352.06787	5.6
353.21643	1.3
360.09323	5.2
459.15536	1.5
470.29080	1.1
486.13971	3.2
487.14618	1.5
504.13620	6.3
506.15247	38.6
507.15851	5.6
532.13208	17.4
548.16266	14.4
549.16693	2.8
613.19263	1.4
619.16901	3.7
620.17072	1.3
621.18250	2.9
623.20056	2.2
666.16901	79.9
667.08392	1.0
667.17529	50.9
668.17932	5.3
713.16974	100.0
714.17291	21.8
732.23492	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.1702
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60972	2.8
53.22031	2.2
59.01049	2.0
59.01268	27.0
60.99192	2.6
61.98720	4.5
64.01808	24.2
65.00208	3.3
65.99739	19.2
69.03343	3.1
70.50378	8.8
71.01275	24.8
72.99187	3.9
73.02831	7.6
78.19859	2.3
83.01279	4.2
85.02851	21.8
87.00765	11.8
88.98698	15.2
89.02341	15.4
91.05435	3.2
92.01306	5.5
93.03344	5.4
94.02881	9.6
95.01288	6.5
98.20474	2.5
99.00754	2.9
101.02346	15.7
102.98007	2.5
105.03355	10.1
106.02877	4.1
106.04029	5.3
107.01279	7.9
109.02834	4.8
111.00755	3.2
113.02351	13.6
118.02863	4.6
119.03419	6.8
119.04948	5.0
120.00835	19.2
121.02869	12.3
122.02403	10.6
122.03652	5.2
123.00771	6.2
123.04426	7.2
125.02348	4.1
127.03988	2.5
131.03413	5.4
132.02107	3.5
133.01703	7.0
133.02884	84.5
134.02415	17.4
134.03613	9.6
135.04454	54.3
136.03949	10.0
137.02374	13.4
139.03859	4.8
143.03406	7.0
145.02878	6.5
147.03101	2.6
148.01598	2.8
149.02397	18.9
149.06006	29.6
150.01880	18.6
150.03148	39.5
151.03905	5.4
152.03430	6.2
154.99574	2.6
159.04408	3.1
161.01231	4.6
161.02396	82.5
162.01865	51.5
162.02982	3.4
163.02550	3.6
163.03992	4.2
163.06058	5.3
163.99765	4.4
164.03470	12.4
165.00648	6.2
166.01329	3.2
175.03951	3.2
176.01161	12.5
177.01904	100.0
178.01251	15.0
179.02130	16.0
179.03452	41.5
180.02962	23.5
189.00597	3.6
190.01376	10.6
191.05598	65.5
194.58617	2.3
198.04050	5.3
203.03448	7.2
205.07204	4.4
206.00945	31.6
206.16570	2.6
223.01091	5.8
224.02017	53.5
266.03009	4.2
281.06815	2.6
311.11298	3.2
315.10855	4.4
352.07059	5.4
360.09357	3.1
362.26276	2.5
383.51297	2.7
473.18100	4.2
487.14780	4.3
488.14587	3.1
504.13608	8.5
506.15274	62.2
507.15268	7.6
532.13373	26.1
533.13898	4.6
548.16095	15.6
619.16364	3.5
623.19843	20.4
666.16803	49.6
667.17706	46.6
668.17310	5.1
713.16901	84.0
714.17352	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	709.4188
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03330	1.8
59.01263	6.2
61.98721	1.9
71.01267	5.8
73.02841	1.5
83.01264	0.7
83.03658	0.5
85.02857	1.3
89.02341	3.6
95.01283	0.7
97.06494	2.6
101.02353	5.1
113.02342	2.0
119.03401	0.9
125.02427	0.7
147.02609	0.6
151.11227	13.5
152.99553	1.2
161.04489	1.1
169.12299	100.0
170.12630	4.0
195.10248	2.2
213.11322	11.9
214.11604	0.7
218.98685	0.5
235.08298	1.5
253.09334	3.5
277.21780	23.2
278.22104	1.5
395.06403	0.6
431.19278	2.5
449.20441	6.4
617.78687	0.6
709.41840	95.3
710.42163	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	709.4184
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01774	0.8
57.03321	1.9
59.01260	5.5
61.98724	4.9
71.01271	4.8
71.58801	0.9
72.99173	0.5
73.02820	1.1
81.03354	0.7
83.04917	1.4
85.02835	1.4
87.00742	1.2
89.02336	2.6
95.04910	2.2
97.06496	7.0
101.02335	4.4
113.02343	2.2
119.03455	0.7
125.09609	0.7
133.10176	1.0
145.04973	1.4
149.09662	0.8
151.11217	17.3
152.11552	0.9
152.99506	1.1
161.04486	1.1
165.21736	0.5
169.12294	53.2
170.12636	2.0
182.28450	0.5
195.10223	3.4
213.11337	7.5
235.08221	1.7
236.87752	0.6
253.09444	2.5
255.23495	0.8
259.20874	0.5
277.21780	58.8
278.22092	6.3
431.19284	2.0
449.20294	2.0
547.36761	0.6
709.41827	100.0
710.42169	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	711.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03337	3.0
58.00482	2.7
59.01267	61.1
60.01582	1.9
71.01272	53.4
71.56601	2.8
72.99199	5.4
73.02833	13.0
83.01267	8.0
85.02849	26.5
87.00761	5.2
88.84937	1.6
88.98698	2.3
89.02338	46.4
93.03360	2.0
95.01301	5.3
96.95897	2.5
97.02879	2.4
99.00811	4.1
99.92505	9.3
101.02343	25.3
103.00275	4.2
113.02359	41.8
114.02727	1.9
114.85158	1.5
116.92772	100.0
117.03409	3.6
117.92793	6.0
119.03436	10.6
123.04420	2.2
125.02371	7.0
131.03435	8.6
133.02893	9.4
135.04436	10.9
136.04842	1.7
137.02408	2.5
143.03458	7.9
145.02873	8.6
146.03279	2.1
149.04474	11.0
161.02391	23.1
161.04459	17.7
162.02715	5.7
163.03999	3.6
177.01976	1.7
178.80475	1.6
179.03458	4.4
179.05582	7.7
191.05603	5.9
217.07188	2.1
221.06630	1.9
225.61476	1.5
233.06693	10.3
269.80783	1.5
271.02579	2.0
285.04080	2.2
300.02878	2.3
331.17792	2.4
379.39667	1.9
386.42172	1.7
453.89600	1.8
461.16467	2.1
463.21927	14.0
464.22314	2.3
475.22095	5.8
493.23026	10.7
535.24066	19.1
536.24377	3.1
555.39807	1.8
607.19012	2.9
607.26849	5.6
625.27411	16.8
626.27527	3.0
667.29590	20.1
668.29456	2.8
711.20111	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	707.345
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01281	0.8
61.98715	0.9
66.18009	0.2
71.01266	0.2
71.58549	0.3
75.00771	1.2
78.95800	0.5
93.03352	0.8
117.03383	0.3
119.04948	1.3
121.02950	0.2
123.04455	0.3
131.14502	0.2
135.04503	0.2
145.02890	1.3
152.99554	0.6
161.02391	0.5
163.03912	0.9
179.03349	0.2
183.08134	0.3
209.06091	0.5
210.06856	8.3
211.07632	100.0
212.07967	7.1
226.62491	0.2
227.07228	0.5
255.06396	0.2
283.11963	0.3
315.15982	1.3
331.15588	2.7
332.16153	0.2
347.15121	1.0
393.73370	0.2
443.49423	0.2
595.28619	0.2
647.32281	0.3
718.93555	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.2005
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65274	0.2
57.03323	0.2
59.01265	6.4
60.32704	0.2
64.42216	0.2
64.98875	0.2
69.03349	0.4
69.68681	0.2
71.01273	3.7
72.99194	0.5
73.02827	3.2
77.03843	0.3
83.01285	0.9
85.02854	0.8
87.00769	0.9
87.04422	0.5
89.02344	2.4
90.36281	0.2
96.95912	1.2
97.02848	0.2
98.95486	0.8
99.00770	0.6
101.02352	4.1
103.03957	0.2
105.03339	0.5
107.04939	0.2
113.02368	1.3
115.03894	0.5
117.03376	0.7
119.03421	1.9
120.38428	0.2
123.04434	0.9
125.02384	1.1
131.03458	0.8
132.02104	2.4
133.02885	37.7
134.03197	1.7
135.04454	16.6
136.04793	1.0
138.48730	0.2
143.03439	1.3
145.02896	0.3
153.05518	0.6
160.01706	0.2
161.02394	100.0
162.02731	5.3
179.03496	1.9
179.05074	0.2
179.05551	0.2
203.03548	0.3
205.07204	0.5
229.71840	0.2
232.30956	0.2
240.45152	0.2
261.07797	0.6
297.09702	0.4
315.10947	5.3
316.11194	0.5
339.10852	0.2
357.12018	1.0
461.16751	1.3
503.17795	6.4
504.18033	0.8
511.29498	0.2
529.15796	1.0
623.20093	1.4
624.19775	0.3
665.21039	54.9
666.21289	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	709.2
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84291	0.3
59.00995	0.3
59.01268	4.9
70.06631	1.5
71.01273	3.6
72.99188	0.6
73.02844	2.5
83.01305	0.3
84.95022	0.9
85.02834	1.5
87.00769	1.2
87.04387	0.3
87.69576	0.3
89.02357	1.8
95.01332	0.4
96.95908	0.4
101.02329	2.5
103.03909	0.7
105.03333	0.6
113.02359	1.8
115.03953	0.5
117.03372	0.9
119.03430	0.9
123.04456	0.9
125.02378	0.6
126.24350	0.3
131.03419	1.1
132.02081	3.0
133.02881	42.5
134.03291	0.9
135.04454	16.3
137.02333	0.4
143.03438	0.6
145.02893	0.4
160.38467	0.3
161.02390	100.0
162.02730	4.2
163.06053	0.5
171.74080	0.3
179.03447	4.1
195.54874	0.3
205.07132	0.5
271.02731	0.4
297.09839	1.0
299.01923	0.3
314.60431	0.3
315.11075	2.3
434.44080	0.3
443.15268	0.5
461.16833	1.9
503.17838	2.9
529.15863	0.8
552.93555	0.3
605.18958	0.4
623.19824	1.6
637.22278	0.3
665.21033	55.0
666.21442	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	709.2011
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01268	5.4
59.73467	0.3
71.01274	3.9
71.58157	0.6
72.99200	0.8
73.02831	1.9
83.01267	0.6
84.94999	0.5
85.02838	1.7
87.00767	1.2
88.19446	0.3
89.02340	2.3
95.01305	0.3
96.95923	2.4
97.37238	0.3
99.00782	0.4
101.02341	2.4
103.03934	0.4
105.03393	0.8
107.04932	0.4
108.80038	0.3
109.02827	0.3
112.31759	0.2
113.02354	1.7
115.01788	0.3
117.03397	1.0
119.03436	1.0
119.04935	0.6
123.04449	1.0
125.02357	0.7
128.10057	0.3
128.90109	0.5
131.03456	0.9
132.02098	3.2
133.02884	41.0
134.03168	1.7
135.04453	16.8
136.04816	1.3
137.02397	0.4
143.03459	1.2
145.02884	0.6
153.05524	0.8
161.02393	100.0
162.02745	5.6
163.03947	0.9
163.06046	0.6
177.05498	0.4
179.03471	4.7
205.07227	0.8
221.04559	0.4
271.02466	0.7
274.62411	0.3
297.09976	0.8
299.02042	0.6
300.02710	0.7
314.04373	0.3
315.05191	0.4
315.10870	2.9
357.11752	0.4
448.04617	0.3
461.16843	1.9
503.17886	2.4
529.15497	0.5
535.32947	0.3
579.14209	0.6
605.19043	0.5
623.19720	2.3
665.21039	46.4
666.21356	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	707.1157
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94770	0.1
60.49406	0.1
62.00907	0.1
65.99711	0.1
66.34103	0.1
70.47163	0.4
71.01283	0.2
79.95628	2.6
82.95325	0.1
88.69094	0.1
96.95912	100.0
97.95870	0.4
98.95507	0.5
105.12836	0.1
111.00826	0.1
133.02846	0.2
135.04419	0.2
148.22365	0.1
151.00273	0.3
161.02391	0.5
178.99860	0.1
243.03104	0.1
255.03020	0.3
271.02472	0.7
272.03046	0.1
274.85648	0.1
297.08810	0.1
300.02777	1.1
301.03546	0.6
383.96179	0.1
384.87192	0.1
609.14832	1.9
610.14941	0.3
639.02277	0.2
680.49799	0.1
707.18585	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.2005
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08627	0.2
54.93192	0.2
55.14305	0.2
58.00481	0.4
59.01266	6.6
61.56690	0.2
68.17232	0.2
69.03341	0.4
69.31332	0.6
69.31754	1.3
71.01273	4.3
71.01667	0.3
72.99207	0.6
73.02831	3.3
81.03332	0.3
83.01293	0.8
85.02846	1.0
86.00034	0.2
87.00758	1.5
87.04412	0.4
89.02344	2.4
89.03874	0.2
95.04928	0.2
96.95913	0.6
97.02876	0.4
98.19750	0.4
98.95493	0.3
99.00793	0.7
101.02353	3.9
103.03933	0.4
105.03400	0.7
105.17206	0.2
107.04905	0.2
109.02907	0.2
113.02356	0.9
115.01805	0.2
115.03913	0.8
117.03392	1.1
119.03430	1.6
119.04945	0.5
123.04471	1.0
125.02381	1.8
131.03464	0.9
132.02095	2.2
133.02887	39.7
134.03177	1.6
135.04454	17.5
136.04813	0.6
143.03465	1.0
145.02885	1.7
145.04900	0.3
153.05545	0.8
161.02397	100.0
162.02728	5.0
163.03935	0.5
163.06073	0.4
179.03448	1.2
179.05617	0.2
195.60097	0.2
205.07153	0.5
249.07855	0.3
261.07758	2.0
262.27066	0.2
279.08771	0.7
297.09836	0.3
314.15546	0.2
315.10928	4.3
316.11328	0.6
339.10892	0.5
357.11990	0.8
461.16840	1.1
477.20511	0.2
487.14474	0.3
503.17810	5.0
504.18234	0.6
519.17511	0.2
529.15784	4.2
530.15863	0.7
623.19897	0.7
665.21039	38.8
666.21356	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	703.2626
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	0.5
58.00488	0.7
58.32806	0.4
59.01265	14.8
61.98724	1.7
66.73701	0.5
71.01269	8.0
71.30489	1.0
72.99183	0.8
73.02843	3.0
74.99004	0.6
81.03346	0.5
82.73110	0.4
83.01272	0.9
85.02405	0.4
85.02846	3.0
85.77461	0.4
85.99995	0.8
87.00767	2.9
87.04410	1.4
89.02336	8.2
93.03364	0.8
95.01252	0.6
96.95886	0.5
99.00774	1.3
101.02348	7.0
103.03933	0.9
113.02364	3.0
115.03923	1.3
117.03373	28.3
118.03719	1.1
119.03484	3.3
119.04939	11.2
121.02885	0.9
123.04419	0.9
125.02381	1.0
131.03410	2.2
132.05684	0.5
133.02916	1.0
133.06512	2.1
134.03676	2.8
135.04471	1.2
140.27853	0.4
143.03450	3.8
145.02885	100.0
146.03206	4.6
147.04401	0.7
150.03137	1.0
159.04471	2.0
161.02397	1.9
161.06021	5.2
163.03957	13.9
163.06024	1.1
164.04315	0.6
165.05537	0.7
172.05353	0.7
173.06076	1.8
174.76689	0.5
175.03880	0.7
177.05527	0.8
187.03981	3.4
187.07594	9.1
195.06534	0.5
201.05553	2.1
201.09142	0.6
202.04533	1.0
202.06334	13.3
203.06773	1.3
203.10655	0.9
205.05013	4.5
205.07126	2.4
213.09245	0.9
216.07869	1.3
217.05080	0.5
220.07426	0.6
231.10286	16.4
232.10670	1.0
249.11368	1.8
265.07220	3.6
289.07245	0.6
371.23825	0.6
411.16650	5.9
453.14575	0.8
453.20972	0.5
471.15140	4.9
491.09323	0.4
507.22183	0.8
539.20978	1.0
557.22443	27.6
558.22595	3.6
605.18738	1.4
606.19592	1.3
652.80585	0.5
666.50751	0.6
667.39160	0.8
685.25073	1.3
703.26215	70.1
704.26532	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	704.3518
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01770	1.4
57.03347	1.4
58.00480	1.5
59.01264	30.4
61.98719	4.2
69.03342	1.6
69.69337	6.5
71.01273	25.3
72.01589	1.2
72.34552	1.0
72.81844	1.1
72.99185	2.0
73.02839	4.1
78.95786	1.2
81.03345	2.0
83.01284	3.2
85.02841	5.7
87.00771	4.3
89.02337	22.4
95.01299	3.0
96.95935	1.8
97.02843	3.8
99.00768	1.3
101.02342	19.7
109.02873	1.0
113.02335	7.7
119.03405	7.4
119.04899	1.4
125.02364	5.0
133.02858	2.5
135.04474	2.2
136.04657	1.1
137.02371	1.3
143.03458	2.7
145.02876	2.8
150.53038	1.2
161.02361	4.9
161.04489	3.6
161.05891	1.1
179.03532	1.4
179.05539	5.2
183.13806	1.1
209.11848	2.5
211.13373	2.8
221.06592	1.7
235.08257	3.6
253.09338	2.0
263.07687	1.3
265.07281	1.8
276.21075	3.2
278.79794	1.1
288.19720	5.1
289.17987	1.2
305.08939	1.2
306.20819	100.0
307.21191	8.8
397.13571	35.8
398.13812	2.7
415.14685	37.6
416.14755	2.8
498.60941	1.1
634.98932	1.0
704.35358	15.5
705.35431	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	703.2624
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10728	0.2
55.01781	0.4
57.03343	0.5
58.00495	0.5
58.18422	0.2
59.01265	12.3
61.98705	0.4
69.03343	0.6
71.01272	8.2
71.36275	0.4
72.99199	0.9
73.02834	2.8
81.03346	0.3
83.01273	0.9
85.02846	4.0
85.61260	0.2
85.99997	0.5
87.00774	2.7
87.04411	1.2
89.02339	4.9
89.02898	0.3
89.03854	0.2
93.03328	0.3
95.01290	0.6
96.95892	1.1
97.02872	0.2
97.06481	0.3
99.00815	0.2
101.02346	6.7
103.03911	1.0
112.31647	0.2
113.02357	6.2
115.03922	1.3
117.03375	43.1
118.03703	1.9
119.03445	3.2
119.04933	6.6
120.05305	0.3
123.04440	0.2
125.02374	1.0
131.03433	2.0
133.02869	0.9
134.03638	0.8
135.04445	1.1
143.03432	2.6
145.02888	100.0
146.03212	5.1
147.04449	0.8
150.03127	0.4
158.03673	0.5
159.04456	1.6
161.02385	0.7
161.04579	0.3
161.06006	0.5
163.03955	4.5
163.06082	0.7
164.04283	0.4
171.04472	0.2
172.05241	0.5
173.06018	2.3
174.06805	0.3
175.03906	0.7
175.07568	0.3
179.03371	0.5
187.03981	1.9
187.07617	8.3
188.07962	0.5
190.06270	0.5
201.05553	1.9
201.09180	0.3
202.06328	13.4
203.06735	1.2
203.10780	0.6
205.05272	0.4
205.07147	1.5
213.09140	0.6
215.06990	0.2
216.07906	1.1
219.10185	0.8
220.07382	1.2
231.10275	14.0
232.10628	1.2
235.99211	0.2
249.11345	2.7
265.07159	0.3
296.24500	0.2
305.14194	0.4
345.13376	1.0
357.13422	0.8
358.13770	0.2
375.14590	1.1
393.15506	1.5
410.19046	0.2
411.16714	5.2
412.16910	0.6
471.15247	0.2
539.21381	2.6
540.22174	0.3
551.32050	0.3
557.22491	32.4
558.22827	4.8
561.35950	0.2
583.20703	1.5
584.20990	0.3
685.25616	0.6
686.25281	0.3
703.26215	54.0
704.26544	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	703.2625
Annotation	Unknow
Peak:m/z	Relative Intensity
56.97682	0.3
57.03340	0.5
58.00483	0.5
59.01264	13.7
61.98719	0.6
69.03358	0.4
71.01266	8.6
71.35035	0.8
72.56676	0.3
72.99203	1.1
73.02837	3.3
83.01295	0.8
85.02837	4.3
85.99972	0.6
87.00767	2.8
87.04416	1.0
89.02340	5.9
95.01283	0.7
97.02843	0.5
99.00794	0.5
101.02347	6.0
103.03915	1.0
113.02356	5.0
115.03917	1.5
116.92774	1.0
117.03378	39.2
118.03723	1.3
119.03448	3.2
119.04944	9.0
120.05279	0.3
125.02357	0.8
131.03430	2.6
133.02873	0.7
133.06541	0.7
134.03662	1.2
143.03432	2.7
145.02888	100.0
146.03212	4.6
147.04475	0.8
150.03165	0.7
157.16002	0.4
158.03665	0.5
159.04459	1.3
160.01683	0.6
161.02345	0.6
161.04654	0.5
161.06026	1.5
163.03964	6.3
163.06010	0.7
164.04391	0.4
165.05511	0.6
165.81357	0.4
172.05212	0.5
173.06047	1.9
175.03987	1.0
187.03998	2.2
187.07608	8.5
188.08189	0.6
195.06596	0.7
201.05562	2.4
201.09128	0.4
202.06345	12.5
203.06815	1.2
203.10852	0.5
205.05211	0.6
205.07167	1.6
216.08003	0.9
220.07324	1.0
231.07959	0.7
231.10278	13.4
232.10585	0.9
249.11337	2.2
265.07272	0.8
345.13504	1.0
357.13470	0.8
375.14563	1.2
393.15701	1.8
411.16650	4.7
412.16995	0.5
471.15259	0.8
507.22464	0.9
539.21368	5.4
540.21637	0.6
557.22473	37.7
558.22827	5.2
583.20313	1.4
681.08154	0.4
685.25269	0.8
703.26233	60.0
704.26593	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	699.3359
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	0.9
59.01265	7.4
61.98702	1.0
65.48019	0.7
69.03341	1.0
71.01273	24.2
71.57570	1.1
71.57992	0.9
72.99178	1.3
73.02821	0.9
81.01618	0.8
81.02090	3.4
82.02878	4.6
83.01295	0.8
85.02830	2.0
87.00766	1.7
89.02359	5.2
90.98502	2.4
94.02853	2.7
95.04923	0.8
96.04447	14.5
96.95908	2.0
101.02348	5.6
101.56391	0.9
107.03672	3.2
108.04465	2.2
110.06030	1.5
113.02354	3.3
117.34908	0.8
119.03395	1.1
119.13268	0.8
122.06014	0.8
125.02367	1.1
125.06013	1.2
134.64600	0.9
135.04381	1.4
145.05017	1.8
160.11232	2.2
161.02350	2.9
161.04483	2.4
168.10257	18.6
176.10739	0.8
178.12325	17.3
179.03432	1.3
179.05603	1.6
179.12524	1.2
186.09285	1.6
196.13405	16.5
197.13664	1.0
204.10318	10.6
206.11902	1.1
209.11832	1.9
222.11357	100.0
223.11758	5.5
224.13020	1.8
235.08324	4.5
240.12427	18.8
253.09309	10.9
327.84677	1.0
344.75284	0.9
440.19659	1.0
458.20334	7.0
459.21515	1.1
476.21515	13.9
477.21997	1.3
609.26080	0.9
627.31708	1.6
655.34882	1.6
664.21167	1.0
681.32336	3.5
699.33582	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	700.1746
Annotation	Unknow
Peak:m/z	Relative Intensity
54.97098	0.7
57.03339	1.3
58.00496	0.8
59.00997	1.1
59.01269	16.3
61.72303	0.7
61.98714	1.9
64.01806	2.7
65.03854	1.0
65.99732	3.4
66.79538	0.6
67.01772	1.2
67.29891	0.7
68.99292	0.6
68.99703	0.7
69.03329	1.5
70.89545	1.0
70.89900	1.5
71.01275	14.0
72.48113	0.7
72.99201	6.6
73.02843	7.3
75.00759	3.3
75.09853	0.6
81.03348	0.8
83.01279	2.9
85.02838	6.7
85.99984	2.5
87.00780	8.5
87.04403	3.0
88.98702	0.7
89.02345	5.6
91.01785	0.7
93.03369	6.9
94.02884	3.2
95.01285	3.4
95.04929	2.1
96.95925	2.0
97.02859	1.7
99.00771	3.0
101.02342	6.8
103.03945	1.6
105.03372	1.5
106.02898	1.4
107.04945	1.0
107.76704	0.7
108.02102	0.7
109.02849	5.3
111.00799	2.2
113.02352	6.7
115.00295	0.7
115.03941	2.8
116.05180	0.6
117.03377	0.7
119.01300	0.7
119.03391	2.0
119.04857	0.8
120.00846	1.4
120.31638	0.6
121.01632	0.8
121.02866	7.7
122.02401	2.9
122.03626	2.6
123.00802	3.2
123.03217	0.8
123.03586	0.8
123.04432	6.1
124.01575	1.8
125.02354	2.2
129.01822	0.7
129.80884	0.8
131.03401	5.1
133.02882	12.4
133.14166	0.7
134.02394	3.3
134.03648	1.7
135.04451	26.4
136.01579	1.5
136.04823	2.1
137.02373	15.7
138.01871	1.6
138.03166	2.4
139.00314	1.9
139.03923	5.9
143.03444	6.2
145.02864	1.2
145.05052	1.3
147.00797	2.5
147.04451	1.2
148.00403	1.1
148.01584	2.0
148.05176	0.9
149.02386	13.6
149.06046	3.5
150.01904	3.6
150.03152	29.4
150.06310	0.9
151.03807	2.4
152.63405	0.8
153.01904	1.6
154.02621	1.0
161.02394	36.2
162.01895	3.2
162.02986	1.6
163.00310	2.0
163.04053	0.7
163.06046	2.2
164.01080	2.3
164.03510	1.8
165.01891	10.7
166.01416	1.7
166.02673	1.1
167.03439	3.8
175.00290	1.8
175.03957	1.6
175.99731	1.7
176.01106	1.1
177.01892	6.1
177.05504	5.0
177.41223	0.9
178.01378	1.7
178.05899	1.3
179.03477	23.3
180.03024	4.8
181.01447	0.9
181.03352	1.0
182.02112	1.3
190.99831	1.9
192.00546	2.1
193.01396	19.9
194.00749	4.3
195.03008	1.7
196.02452	2.3
198.04088	4.3
203.03467	9.1
205.07211	2.7
209.00926	0.8
221.04631	6.5
221.06657	1.3
222.04948	1.9
233.04544	0.9
245.04591	0.7
247.08060	1.0
251.05585	5.2
252.05914	2.1
281.06735	13.0
282.07089	4.0
341.08398	6.8
342.09189	4.2
360.09497	4.5
367.10297	0.8
426.79050	0.8
469.13510	1.5
475.13226	0.9
487.14767	10.5
488.14310	3.3
506.15256	100.0
507.15680	10.2
522.14722	3.5
538.12177	1.0
562.14270	9.3
563.14319	1.3
626.17523	1.0
628.18951	1.2
635.16302	2.3
653.17297	9.4
654.17853	4.6
656.18488	2.8
664.15448	4.3
667.17462	0.9
670.17340	1.2
682.16351	12.7
683.16644	2.3
700.17706	13.8
701.17712	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	699.1429
Annotation	Unknow
Peak:m/z	Relative Intensity
55.89985	0.5
60.99195	2.1
65.00201	0.8
70.61597	1.5
71.01266	1.2
83.01306	0.8
88.98693	6.9
94.68618	0.6
107.01292	2.0
109.02850	1.8
121.02845	1.2
123.00819	0.8
125.02377	0.6
133.02881	1.2
135.00815	0.9
135.04449	0.5
137.02432	0.5
138.82602	0.4
139.00288	0.7
145.02888	1.1
148.01593	0.9
149.02353	0.6
151.00305	8.9
161.02371	1.6
163.00293	1.5
169.43080	0.5
177.01974	1.2
178.99843	4.4
187.03986	0.6
191.03484	0.6
211.03961	0.8
226.02791	1.4
227.03494	1.6
232.02402	0.5
243.03056	6.7
244.03253	0.6
245.04623	1.1
254.02228	1.5
255.03036	14.4
256.03418	1.9
271.02524	35.3
272.02921	4.4
283.02567	1.2
298.04178	0.5
299.02017	1.2
300.02811	78.7
301.03543	30.9
302.03964	2.7
343.04596	0.8
371.40765	0.5
374.05347	0.6
498.71149	0.6
607.20642	0.9
609.14697	100.0
610.15100	16.0
642.45380	0.7
699.17041	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	703.2623
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27876	0.2
51.85900	0.3
57.03331	0.6
58.00485	0.8
58.73487	0.2
59.01264	11.0
59.46241	0.3
61.32170	0.2
61.98736	1.3
68.99686	0.3
69.03342	0.5
70.45415	1.1
71.01271	8.6
72.99194	1.2
73.02834	2.4
73.12219	0.3
83.01282	0.9
84.80302	0.3
85.02840	4.4
85.99986	0.6
87.00772	2.8
87.04414	0.8
89.02337	5.8
93.03345	0.3
95.01292	0.5
96.95915	2.5
97.02876	0.3
98.95469	0.3
99.00781	0.3
101.02353	6.7
103.03901	0.8
107.04895	0.3
107.71101	0.3
109.02837	0.5
109.14400	0.3
113.02368	6.1
115.03922	1.1
117.03378	41.1
117.77368	0.2
118.03703	1.6
119.03454	3.2
119.04941	7.8
120.05268	0.3
121.02866	0.6
121.90813	0.2
123.04438	0.3
125.02355	0.9
131.03458	2.3
133.02859	1.6
134.03696	1.5
135.04451	9.6
136.04803	0.5
137.02348	0.6
137.63910	0.3
143.03419	2.8
145.02888	100.0
146.03220	4.4
147.04436	0.7
149.05992	0.5
150.03183	0.4
151.03897	0.3
158.03645	0.4
159.04454	1.5
161.02397	3.0
161.04578	0.4
161.06073	0.7
162.02856	0.3
163.03957	5.4
163.06038	0.5
164.04315	0.6
165.05505	0.5
166.02728	0.4
172.05273	0.6
173.06044	2.1
174.06841	0.3
175.03944	0.8
177.05536	0.4
179.03458	7.2
181.05064	0.6
187.04065	1.8
187.07616	8.2
188.04547	0.3
188.08025	0.5
189.05579	0.4
201.05531	1.9
202.06329	13.6
203.06795	1.1
203.10757	0.4
205.07080	1.6
213.09250	0.6
215.07018	0.3
216.07936	0.8
219.10239	0.5
220.07346	0.8
230.09464	0.3
231.10275	13.9
232.10574	1.3
249.11366	2.5
255.03090	0.4
269.68045	0.3
289.07083	0.3
299.02203	0.3
317.06659	0.4
335.07788	1.1
345.13501	1.1
357.13586	0.8
375.14557	1.1
388.33109	0.2
393.15759	1.6
411.16690	5.5
428.85840	0.3
461.16937	0.4
471.15002	0.3
539.21271	2.8
557.22473	34.4
558.22870	4.2
583.20062	1.5
682.32208	0.3
685.25464	0.8
703.26227	50.0
704.26733	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	695.3135
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54840	0.3
54.32436	0.3
59.01264	100.0
60.01604	1.0
61.98717	0.8
69.53683	2.6
78.95796	9.2
97.16574	0.3
108.33584	0.3
113.81774	0.3
162.42792	0.3
196.04327	0.3
204.18277	0.3
205.15958	1.0
279.23190	0.4
332.08453	0.3
427.19247	0.5
447.13309	0.6
462.26306	0.4
509.00879	0.3
641.24194	0.3
653.30511	0.5
695.31293	37.9
696.31677	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	697.1791
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	100.0
60.01606	1.1
61.98707	0.2
67.59727	0.2
69.74679	1.3
72.29263	0.2
79.66911	0.2
92.92538	0.2
93.03360	1.1
100.51311	0.2
107.99646	0.2
112.32076	0.2
121.02898	2.0
133.02916	0.3
135.04504	0.4
145.02864	0.4
161.02435	0.6
171.10243	0.3
173.02356	0.3
183.68611	0.2
191.03435	0.9
209.04503	1.2
284.53494	0.2
315.16147	0.3
327.16055	1.4
440.20105	0.2
575.12537	0.3
593.13226	1.1
598.45667	0.2
625.26959	0.3
653.26538	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	697.2003
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	3.2
60.99193	16.4
68.34566	0.3
71.01273	2.2
72.99184	0.3
73.02837	0.7
74.06850	0.3
75.11008	0.3
85.02839	0.8
87.00768	0.5
88.98701	100.0
89.02338	2.1
89.44102	0.3
89.99040	0.9
101.02365	1.8
105.03393	0.3
109.02837	0.4
113.02362	1.0
114.11082	0.3
116.92763	0.5
117.03356	0.8
119.03429	1.0
119.04939	1.4
121.02865	0.5
123.04474	0.5
131.03429	0.4
132.02081	0.5
133.02884	12.3
134.03670	0.4
135.04457	6.9
136.04768	0.5
137.02390	0.9
143.03473	0.7
144.03467	0.3
145.02876	1.2
149.02419	0.4
150.13113	0.3
160.38608	0.3
161.02394	47.8
162.02762	2.1
163.03964	0.6
163.05994	0.4
165.01854	0.3
177.01869	0.5
179.03448	3.2
192.99629	0.6
193.01343	0.6
202.02379	0.4
205.07162	0.3
227.07159	0.9
235.00703	0.5
243.06728	0.4
315.10992	0.4
461.16705	0.7
471.33960	0.4
577.06708	0.3
577.36609	0.4
607.20459	42.9
608.20850	7.8
696.72046	0.5
697.18140	1.9
698.19409	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.2515
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01774	0.9
57.03340	1.5
58.00476	4.5
59.01265	92.0
60.01605	0.9
61.98719	2.7
66.10715	0.6
69.03349	0.8
69.76867	3.9
71.01270	71.8
72.01609	1.2
72.99201	7.5
73.02835	5.7
74.82222	0.6
83.01275	1.6
83.73328	0.6
85.02847	12.3
87.00768	8.6
89.02337	100.0
90.02686	1.4
94.78070	0.6
95.01290	5.0
96.95899	0.6
97.02827	0.8
99.00780	0.7
101.02348	40.1
103.03910	3.3
108.02113	0.9
109.02820	1.1
113.02356	27.6
115.03873	1.3
117.03316	0.7
119.03418	34.1
119.04810	1.4
121.02837	2.1
123.04476	0.8
125.02364	2.2
127.03995	0.7
131.03423	5.9
133.02864	2.2
135.04446	3.9
136.01585	6.2
137.02394	3.0
143.03430	7.4
145.02916	3.2
145.04874	1.0
146.03601	1.0
149.04469	3.1
149.13574	0.7
150.03169	0.9
151.03955	6.2
160.05304	0.8
161.02405	8.6
161.04462	6.7
161.05980	1.8
162.03178	3.6
163.04041	3.1
163.06061	9.7
172.05200	2.1
173.05992	1.4
174.03174	0.6
175.03929	1.7
176.04718	0.9
177.05498	2.2
178.06308	1.2
179.03397	2.0
179.05574	16.2
189.05501	3.5
190.06339	3.4
191.05536	1.1
193.08595	0.7
205.07144	3.4
225.05505	1.3
236.64305	0.9
237.05438	0.7
238.06239	0.9
241.05031	0.6
251.07216	0.8
252.04134	0.7
253.05110	5.9
254.05522	0.9
265.05011	2.3
266.05685	2.6
267.06561	1.8
268.07144	1.7
279.06564	2.8
280.07245	2.0
281.04636	20.1
281.07739	0.9
281.26376	0.6
282.04993	2.0
291.06519	1.2
293.08133	1.1
295.05975	1.7
295.09229	0.6
296.03873	0.9
296.06946	15.0
297.07358	2.1
305.08203	0.7
307.05994	1.2
308.06635	0.6
308.10669	0.6
311.06363	0.8
311.09317	8.5
312.09421	0.7
321.07538	2.5
322.08163	1.1
335.09012	1.3
336.10074	3.3
341.21494	0.6
351.12299	1.0
439.11841	1.7
442.13876	1.1
443.14658	0.7
457.12726	2.2
459.14334	1.4
469.16449	0.7
470.13437	0.7
471.14597	1.1
472.15790	2.9
473.15482	1.2
485.15997	0.9
487.13019	10.7
488.14111	2.3
491.28860	0.7
497.27029	0.8
502.09354	0.7
502.16470	7.4
503.16821	1.6
517.18781	65.2
518.19238	10.7
531.62592	0.7
609.25848	0.7
696.77258	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.2785
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	4.3
57.03326	3.8
58.00477	2.9
59.01264	86.6
60.01591	1.6
61.98693	1.8
68.99702	2.3
69.03350	4.1
69.60805	5.8
70.54813	0.8
71.01270	100.0
72.01601	0.9
72.99189	5.2
73.02835	39.5
75.00759	2.2
75.66331	0.6
78.26586	0.8
81.03326	1.0
83.01276	22.2
84.02085	0.9
85.02841	45.1
85.99986	0.9
86.03165	0.9
87.00768	13.1
89.02335	41.4
89.63451	0.7
91.66002	0.7
95.01289	11.2
96.95906	1.3
97.02844	7.5
99.00783	23.6
99.04432	1.1
101.02346	64.7
105.85648	0.6
111.00790	5.4
111.04475	0.9
112.01591	2.5
113.02356	56.2
119.03418	10.9
125.02373	11.7
129.01865	3.2
131.03445	5.3
133.02855	1.4
137.02405	1.0
143.03436	14.7
149.04503	5.1
149.05984	1.4
153.01840	0.9
155.03526	1.2
159.02942	7.8
161.02364	3.0
161.04503	28.8
162.04826	1.0
167.03511	1.0
179.05568	4.6
191.05507	3.4
203.05678	1.1
217.07249	1.1
219.05006	1.2
233.06740	2.9
249.15005	1.8
259.06073	0.9
269.04355	1.0
275.07849	0.8
315.18192	10.6
357.19110	1.0
429.21524	1.6
447.22443	82.3
448.22794	7.8
459.22388	12.5
460.22513	1.2
477.23480	13.0
478.24277	1.6
489.23596	9.6
490.23627	1.4
513.23303	1.3
517.23584	0.9
519.24579	19.1
520.25000	2.4
545.09674	0.8
591.26703	28.6
592.26880	4.1
609.27771	67.9
610.28174	8.9
651.28815	88.1
652.29071	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	695.1852
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01268	4.2
61.98724	0.7
62.73309	0.5
62.76337	0.4
63.97488	0.4
71.58089	0.8
72.99197	0.5
73.02856	1.0
79.95638	1.0
83.01260	1.1
85.02844	1.7
86.68890	0.5
87.00763	1.3
87.94003	0.5
88.98719	1.4
89.02362	2.4
93.03365	1.2
94.68484	0.5
95.01270	0.9
96.95914	47.6
101.02364	2.4
107.01302	1.5
109.02885	1.1
113.02370	1.7
116.40989	0.5
117.03374	1.7
119.04971	1.6
125.02367	0.5
126.75528	0.5
131.31557	0.5
132.02141	1.5
133.02872	3.1
135.00847	0.6
135.04437	3.4
145.02905	6.1
146.03227	1.5
149.02357	0.6
149.04817	0.5
149.06021	1.7
150.03172	0.6
151.00333	2.8
156.72101	0.5
161.02388	9.0
162.02782	1.4
163.00261	1.3
163.04057	1.0
165.05464	0.8
167.03540	0.5
169.01402	0.7
175.02454	0.5
175.03954	0.6
176.04716	0.6
177.01805	0.5
178.99850	2.4
179.03354	1.2
183.04475	0.8
187.04037	1.3
191.05580	6.0
191.07114	0.7
192.05928	0.5
211.03996	1.3
227.03514	35.7
228.03874	3.0
229.05109	2.8
239.03436	0.9
255.03029	69.4
256.03574	9.4
257.04565	2.0
283.02551	1.1
284.03329	100.0
285.03940	21.7
286.04404	1.3
311.15460	0.6
413.05301	0.5
423.28897	0.7
491.65009	0.6
531.10876	0.8
533.23468	0.7
623.19489	0.9
635.26422	1.3
650.21436	0.7
651.22083	5.0
652.22284	0.6
695.18427	86.6
696.18768	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	695.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21407	0.3
59.01271	1.0
61.81427	0.3
62.70863	0.3
70.24001	0.4
71.01288	0.9
71.57846	0.4
71.58221	0.6
78.95776	0.5
85.02849	5.6
87.00779	1.1
93.03342	2.5
96.95907	1.1
96.96869	0.9
102.90203	0.3
103.69952	0.3
109.02871	0.6
111.04413	0.8
127.03929	1.1
135.04471	0.9
137.02272	0.5
161.02379	1.3
171.02953	0.4
173.04515	1.2
179.03456	0.8
191.05583	100.0
191.88571	0.4
192.05978	3.4
353.08765	15.6
354.09268	1.5
460.59787	0.3
597.17340	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21407	0.3
59.01271	1.0
61.81427	0.3
62.70863	0.3
70.24001	0.4
71.01288	0.9
71.57846	0.4
71.58221	0.6
78.95776	0.5
85.02849	5.6
87.00779	1.1
93.03342	2.5
96.95907	1.1
96.96869	0.9
102.90203	0.3
103.69952	0.3
109.02871	0.6
111.04413	0.8
127.03929	1.1
135.04471	0.9
137.02272	0.5
161.02379	1.3
171.02953	0.4
173.04515	1.2
179.03456	0.8
191.05583	100.0
191.88571	0.4
192.05978	3.4
353.08765	15.6
354.09268	1.5
460.59787	0.3
597.17340	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.2269
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41257	0.2
59.01268	1.3
62.38932	0.3
67.01769	0.5
69.85974	1.5
71.01258	1.2
72.99188	0.3
73.02827	0.3
83.04920	0.3
83.68108	0.2
85.02841	8.1
87.00781	2.3
88.81206	0.2
91.63009	0.2
93.03355	2.8
97.78360	0.2
98.19744	0.3
99.00801	0.5
101.02314	0.3
109.02879	0.5
111.04401	1.0
113.02357	0.3
127.03903	1.8
129.01860	0.3
136.56493	0.3
137.02271	0.4
171.03006	0.5
173.04486	1.9
173.43753	0.2
191.05588	100.0
192.05946	3.9
227.65993	0.2
296.85519	0.3
353.10901	1.7
468.30215	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.1478
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01279	0.8
65.00210	0.8
69.55984	1.9
69.56396	0.7
83.01295	0.6
96.95920	0.4
98.19789	0.5
107.01304	1.5
108.02082	1.4
109.02888	0.3
116.92822	0.5
121.02883	0.5
125.02391	0.4
133.02908	1.0
135.00829	0.5
135.04442	0.9
137.02422	0.6
145.02898	0.8
148.01593	1.6
151.00313	3.5
161.02356	2.7
163.00310	1.0
164.01089	0.6
165.01907	2.5
169.01399	0.5
175.06221	0.4
178.99825	2.5
179.03474	0.9
180.04213	1.1
186.03258	0.4
191.05649	0.4
192.00529	0.5
193.01349	0.4
195.06613	3.0
199.03912	0.8
203.03511	0.6
215.03590	0.6
216.04294	0.4
224.03197	0.4
225.07664	0.7
226.02739	1.1
227.03554	2.6
243.03006	11.1
243.08777	0.4
244.03516	1.0
245.37889	0.4
254.02299	2.2
255.03024	24.9
256.03430	1.9
267.06754	0.4
271.02533	55.0
272.02975	5.4
299.02042	2.6
300.02802	100.0
301.03262	10.4
355.46729	0.3
420.33380	0.4
609.14709	1.7
651.15784	63.5
652.16101	10.7
695.21722	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	695.2783
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	3.8
57.03341	3.2
58.00460	0.9
59.01267	49.3
60.01594	0.7
61.98708	0.7
62.97437	0.7
68.99709	0.9
69.03339	1.7
71.01270	70.1
72.01622	0.9
72.99198	3.1
73.02837	31.8
75.00757	1.4
81.03354	1.1
83.01274	14.8
85.02839	28.8
85.99982	0.7
86.03181	0.8
87.00777	8.0
89.02335	21.6
95.01283	10.3
97.02853	4.6
98.20599	1.1
99.00780	19.1
101.02345	48.1
102.02717	1.0
111.00760	1.7
112.01585	2.2
113.02356	38.6
119.03413	4.1
125.02362	7.7
129.01831	1.6
131.03412	2.4
141.01889	0.8
143.03445	8.3
149.04482	1.0
149.06009	2.5
159.02946	5.0
161.02399	1.6
161.04501	24.7
161.05843	1.3
162.04791	0.9
179.05634	0.6
179.73361	0.7
191.05560	1.2
214.44199	0.8
219.05217	0.8
229.56911	1.0
249.14949	2.3
249.80312	0.7
304.06808	0.6
315.18213	12.9
316.18539	0.7
429.21774	0.9
447.22424	63.0
448.22726	5.4
459.22546	5.4
460.22751	1.0
477.23218	4.2
489.23608	6.4
517.23236	1.3
519.24554	5.7
520.24829	1.0
573.25208	1.1
584.69720	0.7
591.26746	22.1
592.27002	3.0
609.27777	45.4
610.28149	8.1
651.28833	100.0
652.29187	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	693.2053
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27959	0.2
58.00496	0.2
59.01266	8.6
60.01587	0.2
67.12225	0.2
69.03329	0.3
69.71596	0.3
69.72010	1.1
71.01270	5.3
72.99184	0.5
73.02836	3.7
81.03352	0.3
83.01272	0.8
84.01608	0.2
85.02852	2.0
87.00777	1.1
87.04412	0.5
89.02342	2.3
97.02850	0.6
99.00769	0.6
101.02342	3.2
103.03930	0.5
109.02873	0.2
113.02370	2.0
113.84632	0.2
115.03901	0.5
117.03378	34.9
118.03704	1.2
119.03578	1.1
119.04944	10.0
120.05269	0.2
123.04411	1.1
125.02385	1.7
131.03424	0.9
133.02861	1.7
134.03677	0.2
135.04454	8.8
136.04764	0.7
138.87610	0.2
143.03450	1.3
145.02890	100.0
146.03224	4.3
153.05486	0.4
159.04485	0.3
161.02379	4.5
161.04417	0.4
163.03964	6.3
163.06056	0.4
164.04315	0.3
172.57549	0.2
177.05597	0.3
187.03973	0.5
205.07236	0.4
249.07759	0.3
261.07809	1.6
279.08716	0.4
297.09918	1.5
315.10870	3.0
339.10962	0.7
357.11923	0.8
443.15729	1.2
461.16754	2.0
462.17554	0.3
485.16708	4.9
486.17084	0.6
503.17850	14.8
504.18109	2.0
529.15796	2.6
607.20648	1.0
649.21539	40.3
650.21869	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	693.2059
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45966	0.3
54.56858	0.3
59.01266	9.0
69.03352	0.5
71.01266	5.6
71.60364	0.6
72.99219	0.8
73.02840	3.0
81.03354	0.5
83.01293	0.4
85.02840	3.2
87.00768	1.8
87.04434	0.6
89.02352	2.7
91.17599	0.4
97.02888	0.5
99.00760	0.8
101.02331	3.5
101.02798	0.3
102.68235	0.4
103.03919	0.9
107.04977	0.5
113.02364	3.3
115.03952	0.6
117.03378	31.3
118.03730	1.3
119.03503	0.8
119.04943	15.7
120.05257	0.8
122.06010	0.5
123.04433	0.6
125.02376	1.5
128.90092	0.5
131.03427	1.3
133.02881	8.0
135.04449	8.4
136.04771	0.5
143.03473	1.8
143.31706	0.4
145.02888	100.0
146.03218	4.4
149.06033	1.1
153.05490	0.9
159.04500	0.7
161.02386	20.8
162.02722	0.9
163.03961	9.8
163.06052	0.8
179.03436	1.2
187.04027	0.8
205.07202	0.8
297.10001	1.9
307.08279	0.4
315.10834	3.0
316.11087	0.4
331.02933	0.4
357.11884	0.7
443.15738	2.1
461.16699	2.3
462.17191	0.5
485.16721	10.5
486.17322	1.3
503.17804	17.9
504.18185	3.0
529.16138	0.4
571.55847	0.4
607.20007	1.8
649.21509	55.4
650.21887	12.6
693.49402	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.263
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24089	0.5
54.14741	0.6
55.01776	2.4
56.52965	0.6
57.03329	2.3
58.00476	2.8
59.01263	100.0
60.01607	1.3
61.98732	1.3
64.37171	0.6
69.03337	1.5
69.55728	4.6
71.01268	82.7
72.01608	1.1
72.99200	3.8
73.02834	25.1
75.00765	0.7
81.03306	0.6
83.01277	11.8
85.02843	29.1
87.00778	3.9
89.02335	83.3
90.02660	1.5
95.01269	7.3
95.67275	0.5
96.95916	1.8
97.02856	2.2
98.95470	1.3
99.00780	7.3
101.02345	52.0
102.02671	1.0
113.02355	57.2
114.02706	1.2
119.03417	5.9
125.02364	2.6
131.03424	26.1
132.03740	0.8
133.02855	1.8
135.04480	1.4
143.03438	6.6
145.02773	0.7
149.04497	82.5
150.04839	1.7
153.35031	0.6
161.02504	3.2
161.04491	21.3
179.03471	1.9
179.05556	2.0
191.05608	3.8
201.35257	0.6
203.03514	0.7
203.05510	1.6
217.07040	0.7
221.06630	2.5
233.06679	73.2
234.07062	4.1
239.93996	0.6
293.08859	3.3
369.71667	0.6
445.20776	1.5
517.22821	0.9
589.25061	1.0
607.26044	2.3
649.27405	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	691.3501
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01259	1.1
63.22758	0.1
70.70956	0.3
73.43544	0.1
84.30300	0.1
87.84077	0.1
88.37707	0.1
93.03347	0.6
95.86198	0.1
98.20474	0.1
117.03374	0.3
119.04939	0.2
122.06541	0.1
123.04457	0.3
126.50525	0.1
145.02878	0.5
168.05704	0.1
169.06540	0.2
183.08070	0.4
193.06497	0.2
209.06027	0.4
210.03912	0.1
210.06871	8.6
211.07640	100.0
212.07976	7.2
315.16019	0.6
316.16486	0.1
331.15543	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.356
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01763	0.5
57.03337	0.4
58.00471	1.1
59.01270	15.1
61.98707	0.6
64.78794	0.4
69.03345	1.0
69.25929	3.3
69.26337	0.8
71.01268	13.3
72.99191	0.8
73.02843	1.9
74.30128	0.3
81.03352	0.4
83.01266	1.7
85.02845	2.6
87.00764	2.4
89.02342	11.9
95.01311	0.6
96.95905	0.8
97.02869	1.7
99.00766	0.6
101.02351	10.2
105.54449	0.3
107.50960	0.3
109.06470	0.4
111.08061	0.6
113.02360	4.8
119.03423	3.2
123.04444	0.4
124.01597	0.4
125.02346	3.4
125.62771	0.4
130.12338	0.3
131.03459	0.6
133.05045	0.4
143.03418	1.6
149.04518	0.4
152.99522	0.4
161.02342	0.6
161.04456	2.1
167.10826	0.5
179.04184	0.4
179.05576	2.6
183.10252	0.5
194.25467	0.4
195.13892	8.3
196.14360	1.0
205.12325	0.6
211.13435	0.9
221.06772	1.0
223.13388	5.5
224.13889	0.5
231.21260	0.6
235.08240	3.4
253.09383	1.2
256.13126	0.8
275.20215	4.8
287.07864	0.4
293.21298	100.0
294.21619	9.8
300.84686	0.4
305.08691	0.9
323.09802	0.5
379.12857	0.3
397.13599	24.2
398.13879	2.0
415.14651	26.2
416.15079	1.8
437.43652	0.4
560.49890	0.4
565.80627	0.4
654.27142	0.7
691.35974	1.0
720.21338	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.2047
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00472	0.3
59.00993	0.5
59.01265	6.4
69.03352	0.4
71.01269	5.0
71.45131	0.6
72.99196	0.4
73.02831	3.7
81.03320	0.3
81.04414	0.2
83.01275	1.0
85.02841	0.9
85.99928	0.3
87.00786	1.1
87.04414	0.4
89.02337	2.0
96.95882	0.4
97.02819	0.4
97.13216	0.3
97.72818	0.3
99.00736	0.5
101.02341	4.7
103.03917	0.3
105.69538	0.3
107.16246	0.3
113.02352	1.4
115.03973	0.6
117.03377	35.2
118.03735	1.3
119.03419	1.1
119.04945	5.7
120.05257	0.4
123.04467	0.7
125.02380	1.7
131.03432	0.9
133.02849	0.7
135.04454	13.3
136.04782	0.7
142.33281	0.3
143.03430	1.0
145.02888	100.0
146.03218	5.2
149.05971	0.5
153.05505	0.6
161.02434	1.6
161.04535	0.3
163.03986	2.6
179.03465	0.6
187.03973	0.3
205.07236	0.7
240.34520	0.4
261.07806	1.9
279.08936	0.5
315.10895	5.8
339.10831	0.7
357.11969	2.1
391.68121	0.3
443.15775	0.6
461.16995	1.9
485.16861	1.2
487.14594	0.4
503.17786	20.4
504.18149	3.0
529.16058	2.6
607.20740	0.9
608.20905	0.5
649.21527	33.9
650.21796	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	689.3346
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31800	0.1
59.01268	0.9
61.98707	0.3
65.01919	0.2
69.85599	0.5
78.95790	0.2
91.39423	0.1
93.03379	0.7
93.03889	0.2
94.89237	0.1
111.31370	0.2
117.03375	0.6
119.04929	0.5
121.02846	0.2
123.04439	0.4
130.77025	0.1
143.04909	0.2
145.02905	1.9
163.03957	0.4
169.06552	0.2
183.08070	0.4
204.21986	0.1
209.06036	0.3
210.04839	0.3
210.06866	8.7
211.07645	100.0
212.07991	6.2
227.07245	0.2
265.08789	0.7
299.16571	0.4
313.14584	1.0
315.15970	0.7
315.65891	0.1
329.14087	0.6
331.15665	0.5
463.21375	0.3
474.43976	0.1
497.17184	0.2
551.19788	0.3
553.19653	0.6
597.17731	0.2
627.20984	0.7
629.21185	1.6
630.21246	0.2
652.15442	0.2
689.23474	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.3346
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	1.4
60.82193	0.1
66.31444	0.1
70.63692	0.3
75.00751	0.2
93.03361	0.7
95.04923	0.2
100.55857	0.1
117.03351	0.3
123.04421	0.4
132.13657	0.1
145.02852	0.3
169.06566	0.2
183.08107	0.5
193.06572	0.1
209.06070	0.5
210.06862	8.8
211.07629	100.0
212.07967	6.5
227.07198	0.7
329.13742	0.2
330.48383	0.1
331.15485	0.2
345.89749	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	691.3502
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39942	0.1
59.01256	0.7
61.33612	0.1
61.98712	0.2
63.23234	0.1
69.49472	0.2
69.49892	0.4
93.03355	0.7
95.04904	0.1
117.03368	0.2
117.31637	0.1
119.04942	0.2
121.02867	0.1
123.04441	0.4
135.04471	0.1
143.04929	0.1
145.02907	0.3
161.44757	0.1
169.06525	0.3
182.07420	0.1
183.08083	0.5
196.05229	0.1
208.05243	0.1
209.06111	0.4
210.06862	8.4
211.07637	100.0
212.07973	8.1
213.08148	0.1
252.30418	0.1
265.08838	0.2
299.16730	0.2
315.15967	0.4
331.15506	0.5
407.08188	0.1
411.47763	0.1
419.44403	0.1
463.21359	0.3
484.81540	0.1
490.13434	0.1
524.74249	0.1
563.84613	0.1
628.53955	0.1
698.29230	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	686.3408
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71824	0.3
50.86974	0.3
52.01810	0.5
55.01778	0.3
57.03327	0.7
58.00489	0.4
58.02870	0.6
59.01266	6.8
59.01544	0.7
61.98703	2.0
68.01287	0.4
68.99688	0.7
69.03345	0.8
69.25272	3.2
69.25678	0.9
71.01270	22.5
71.04892	0.6
72.99187	0.6
73.02836	1.4
78.95757	0.6
80.02573	1.3
81.02092	2.9
81.03330	1.8
82.02876	2.3
83.01263	1.4
83.04912	5.7
84.02068	1.0
84.81738	0.4
85.02845	1.8
87.00793	2.1
89.02335	4.3
94.02886	1.8
95.01295	0.8
95.04929	1.3
96.04448	8.9
97.06516	0.5
98.02409	0.3
99.00779	0.4
101.02349	5.7
106.06586	0.4
107.03664	2.6
108.04459	1.5
109.06502	0.8
109.85177	0.3
110.06042	0.7
113.02338	2.8
119.03407	1.3
120.04525	0.5
122.06071	0.4
123.08078	0.4
125.02332	0.5
125.06034	1.3
127.03903	0.4
127.07558	0.5
133.02863	0.6
135.04376	0.4
135.08051	0.7
141.09125	0.4
143.03455	0.5
145.04997	1.6
148.07637	0.4
151.11244	0.6
160.11276	1.4
161.02420	2.1
161.04501	2.2
161.09689	0.6
163.11246	4.6
165.12767	2.9
168.10254	16.9
169.10564	0.7
169.34236	0.4
171.10117	0.5
176.10750	0.7
178.12332	11.5
178.13914	0.6
179.03418	0.5
179.05563	0.5
181.12311	0.7
186.09238	0.8
191.10776	1.1
195.10170	0.5
196.13408	5.3
197.11848	0.4
197.13660	0.4
199.13409	0.5
204.10277	6.2
205.10625	0.5
206.11713	0.6
209.11819	100.0
210.12154	5.4
212.42424	0.3
222.11354	53.8
223.11697	3.6
227.12897	17.2
228.13260	1.1
235.08238	6.2
240.12437	7.7
253.09334	11.5
254.09735	0.7
323.41434	0.4
440.19342	0.5
445.20844	1.4
458.20459	4.0
459.21140	0.5
463.22238	0.4
476.21399	10.0
477.22000	1.0
603.19495	0.4
642.31342	0.7
650.32483	0.4
668.32855	3.4
669.33521	0.7
686.34064	22.2
687.34186	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	687.2676
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53496	0.5
59.01262	4.6
59.69486	0.5
61.98725	3.9
65.37670	0.5
66.63213	0.6
71.01285	3.0
73.02859	0.8
81.03387	0.9
83.01292	1.2
85.02863	1.2
87.24732	0.5
88.98698	1.0
89.02351	2.4
93.03370	3.7
96.95943	1.5
101.02371	2.4
109.02852	4.3
113.02351	1.9
117.03391	0.9
119.04963	0.7
121.02869	8.2
122.03657	14.5
123.00782	1.0
123.04427	1.9
124.01520	0.9
125.02383	1.8
132.02086	0.9
133.02869	6.0
134.03670	1.1
135.04453	4.4
136.01617	1.7
137.02377	10.4
137.06073	0.5
139.00314	0.6
139.03940	0.9
145.02890	1.4
147.04503	1.0
149.02385	37.1
149.06081	1.8
150.03169	93.7
150.06776	4.3
151.00322	3.3
151.03854	5.1
152.01102	0.7
152.04707	1.7
153.01881	0.6
153.05536	1.0
161.02390	12.6
162.02921	1.6
163.03969	1.4
163.07648	0.8
164.03412	0.9
164.04732	8.4
164.08354	0.8
165.05527	100.0
166.02679	8.5
166.05821	4.0
167.03511	2.9
172.12125	0.6
175.03983	1.7
177.01897	0.9
177.05545	1.2
179.03496	4.7
179.05074	0.7
179.05373	0.5
179.06999	0.6
179.10709	2.8
180.04251	6.0
181.05023	17.2
182.05415	0.9
184.03665	0.5
191.03529	1.1
192.04288	0.7
193.05037	2.9
193.99820	0.6
195.06613	61.0
196.06964	2.9
203.03456	0.9
205.05014	2.3
209.11833	0.7
220.07408	1.6
283.13614	0.8
315.05295	0.8
315.08774	1.4
327.15790	0.7
329.10208	1.2
345.22675	0.6
369.13751	0.6
371.11334	1.6
386.13589	1.7
387.10687	1.3
392.12170	1.0
392.34827	0.7
402.13043	1.0
403.13751	1.5
417.15701	12.1
418.15927	1.1
461.14398	2.4
476.16693	0.9
477.17407	1.7
479.34027	1.0
491.19308	22.8
492.19574	3.6
525.23224	2.1
525.34399	2.9
535.16107	1.9
549.17682	0.7
550.18237	1.9
565.20886	35.5
566.21204	6.1
613.22479	0.7
624.14343	0.6
639.24628	26.9
640.24799	4.3
655.20490	0.7
686.37720	2.0
687.26312	5.1
687.39038	11.1
688.26019	1.7
688.38635	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	686.2683
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36874	0.4
55.37444	0.4
59.01266	4.0
61.98717	24.0
69.03309	0.5
71.01272	8.1
73.02837	1.5
78.95806	0.6
81.03345	0.4
82.02863	0.5
83.01278	0.9
83.04925	0.9
84.75832	0.4
85.02837	2.7
87.00756	0.7
89.02347	2.0
95.04935	0.5
96.04469	1.6
96.95912	0.6
99.00785	0.5
101.02346	4.4
110.80463	0.4
113.02361	2.1
115.81532	0.4
117.03367	1.2
125.02405	0.6
132.02087	0.8
133.02878	27.6
134.03398	0.7
135.04454	10.0
137.02353	0.6
152.99663	0.7
159.02934	0.5
161.02390	100.0
161.04575	2.5
162.02740	4.3
163.11241	0.6
163.94455	0.4
168.10265	2.6
171.10275	0.6
178.12296	2.2
179.03442	6.3
180.03848	0.5
196.13393	0.7
204.10245	0.9
209.11826	14.8
210.12158	0.5
222.11354	9.8
227.12950	2.5
235.08244	0.7
240.12491	1.4
251.55075	0.4
253.09212	2.0
315.17883	0.6
321.23047	0.4
374.24860	0.5
392.12247	0.6
458.20175	0.9
476.21384	2.5
495.26752	0.4
546.43317	0.4
623.27240	62.7
624.27570	12.2
668.32715	0.6
669.31952	0.5
686.33942	4.8
687.34009	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	686.3408
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45405	0.8
52.50015	0.7
59.01263	11.3
61.98701	2.2
65.99725	0.8
66.03389	0.9
69.03318	0.8
71.01266	9.4
71.56889	1.6
72.93689	0.8
73.02829	1.0
80.02580	1.2
81.03337	1.3
83.01274	1.5
83.04916	6.6
84.02084	1.3
84.04429	2.4
85.02850	2.7
87.00774	3.3
89.02340	6.7
93.03360	0.7
94.02847	1.5
95.04894	1.0
96.04405	0.9
96.51333	0.8
96.95914	0.8
99.00782	1.4
101.02357	8.7
106.06540	2.7
108.04475	0.9
109.06452	1.0
111.08070	1.0
113.02378	3.8
120.43156	0.8
123.04401	0.8
125.02396	1.1
125.09650	1.1
127.07541	1.2
133.02885	0.8
143.03458	0.8
151.11212	3.3
160.11282	3.2
161.02429	4.5
161.04462	2.6
161.09720	0.8
163.11229	6.2
165.12775	2.8
167.10748	1.6
171.10228	9.9
176.10646	0.9
178.12340	2.5
181.12308	1.0
191.10741	1.2
194.11838	19.0
204.10280	3.4
207.10202	1.4
209.11818	100.0
210.12204	6.1
222.11348	33.3
223.09761	1.1
223.11739	1.6
225.11447	0.8
227.12889	18.0
235.08273	5.0
240.12439	38.9
241.12857	1.9
253.09311	10.7
445.21295	1.8
458.20471	6.3
476.21475	28.2
477.21875	3.0
668.33087	12.4
669.33160	2.5
686.34088	76.2
687.34473	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	686.1952
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01268	5.4
61.98720	9.8
70.78076	0.5
71.01279	3.5
71.27758	0.9
73.02845	1.1
78.63715	0.4
85.02847	1.2
87.00780	1.2
87.04456	0.4
89.02344	2.3
101.02367	2.8
113.02341	1.5
115.03931	0.8
117.03334	1.0
119.03418	2.0
123.04462	1.0
131.03450	0.5
132.02106	1.1
133.02888	26.2
134.03232	1.0
135.04459	13.7
136.04732	0.7
143.03432	1.0
158.35321	0.5
161.02397	100.0
162.02719	4.0
178.35861	0.4
178.37430	0.5
179.03447	4.0
205.07104	0.6
249.07697	0.6
297.10019	1.0
315.10986	3.4
461.16870	3.8
462.17233	0.6
487.14893	1.9
623.19965	77.4
624.20386	13.0
675.49194	0.5
686.19226	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.1948
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01770	0.4
59.01266	8.3
61.98717	5.6
62.14875	0.3
69.58504	2.6
71.01269	5.2
72.99213	0.9
73.02840	2.7
85.02841	1.8
86.00003	0.7
87.00772	2.2
87.04406	0.7
89.02339	4.2
101.02341	3.5
103.03942	0.7
105.03323	0.7
113.02365	2.2
115.03925	1.2
117.03437	0.9
119.03420	1.5
123.04442	1.1
131.03426	2.2
132.02113	1.4
133.02882	30.0
134.03276	1.1
135.03415	0.7
135.04453	12.8
136.04808	0.4
142.29961	0.3
143.03453	2.5
144.99443	0.3
145.05049	0.4
148.04980	0.4
149.06070	0.8
153.05510	0.8
161.02397	100.0
162.02737	4.5
162.50327	0.3
163.06105	1.0
177.05501	0.8
179.03442	2.5
180.04147	0.4
205.07213	1.5
221.04617	1.4
281.06686	0.8
315.05267	0.4
315.10889	4.8
316.11554	0.6
358.93066	0.4
360.74316	0.4
461.16672	6.9
462.17218	0.8
569.10339	0.3
623.19952	65.6
624.20300	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	686.1954
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22211	0.5
57.21492	0.5
59.01268	9.2
59.71178	0.6
61.98721	7.1
71.01273	5.0
71.12068	0.7
71.12385	0.6
72.99203	0.6
73.02841	2.0
76.04479	0.4
85.02841	1.2
87.00790	1.9
89.02345	5.5
92.58382	0.6
101.02355	4.6
103.10118	0.5
113.02380	1.9
115.03917	1.0
117.03424	0.6
119.03432	3.2
123.04446	1.8
131.03424	1.4
132.02138	1.1
133.02882	27.5
134.03194	1.4
135.04453	20.4
136.04787	1.2
143.03467	1.5
153.05431	1.1
161.02397	100.0
162.02739	5.7
177.05473	1.2
179.03494	3.4
179.05380	0.5
205.07224	1.3
209.29953	0.5
221.04524	1.0
281.06833	0.7
315.10971	6.1
429.56931	0.6
461.16742	5.8
623.19965	94.9
624.20270	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	686.1954
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98866	0.8
57.80114	0.6
58.12025	0.7
59.01259	9.9
61.98712	1.6
63.31491	0.6
65.99728	1.1
66.27924	0.6
66.66483	0.7
69.33765	3.0
69.34197	3.8
69.94898	0.7
71.01269	6.5
72.99208	3.9
73.02849	4.0
73.03201	0.8
85.02837	3.3
87.00761	3.5
87.04389	0.8
89.02350	3.5
93.03323	0.8
94.02851	0.7
95.01312	0.9
96.88832	0.8
99.00787	0.7
101.02359	6.4
103.03927	0.9
109.02861	2.3
113.02354	3.1
115.03880	1.2
119.03439	3.0
119.04952	1.3
121.02863	1.5
122.02388	1.5
122.03619	1.6
123.00762	0.9
123.04443	4.9
125.02381	1.3
131.03432	2.0
132.02116	1.1
133.02885	24.7
134.02353	1.4
134.03261	1.2
135.04449	26.9
136.04799	1.2
137.02371	13.1
138.02872	0.9
139.03874	0.7
143.03445	2.6
145.02887	1.2
149.02390	1.7
149.06081	0.8
150.02011	1.8
150.03162	13.5
151.00232	1.0
151.03911	1.7
160.01506	0.8
161.02393	100.0
162.02864	4.5
163.04005	1.3
163.06110	0.8
177.05518	2.5
179.03468	12.5
180.02992	2.5
191.03435	1.0
193.01376	0.9
194.00925	1.1
197.04506	2.0
203.03484	1.7
205.07213	2.1
209.04527	1.5
209.08089	0.9
210.00386	1.5
211.06149	1.0
221.04471	2.3
239.05551	1.4
271.02383	0.9
281.06802	0.8
299.01862	1.2
315.10867	4.8
461.16879	5.2
462.17538	0.8
472.95169	0.8
481.66534	0.8
487.14929	1.5
506.15018	8.3
507.15695	1.2
548.16296	2.4
565.41516	0.8
575.99811	0.9
621.18555	2.3
623.19971	65.1
624.20355	10.3
639.18451	1.9
656.18286	2.8
668.18506	12.9
669.18976	2.3
686.19385	37.9
687.19318	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	686.1953
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00478	0.5
59.01266	6.7
61.98719	2.7
70.74902	0.7
70.75235	0.4
71.01278	4.6
72.99197	0.8
73.02843	1.2
75.74506	0.3
85.02833	1.7
87.00768	1.2
89.02343	3.5
93.03384	0.5
101.02356	3.0
109.02834	0.5
113.02374	1.9
115.03952	0.5
117.03371	0.8
117.63343	0.4
119.03422	2.2
123.04421	2.1
125.02372	0.8
131.03426	1.0
132.02121	1.3
133.02887	35.0
134.03255	1.0
135.04454	17.8
136.04794	0.6
137.02405	1.6
143.03448	1.1
147.04460	0.4
149.02400	0.7
150.03169	1.2
150.18448	0.3
151.04027	0.5
153.05498	0.5
158.99557	0.3
161.02399	100.0
162.02731	5.2
165.01848	0.4
177.01912	0.7
177.05547	0.3
179.03479	1.9
193.01353	0.7
205.07167	1.3
249.07751	0.7
315.11032	4.4
443.15872	0.3
461.16690	4.6
487.15234	0.4
621.17743	0.4
623.19952	75.3
624.20306	13.6
624.30316	0.8
668.18164	1.5
686.19537	2.7
687.19232	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	684.3252
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10672	1.0
58.02861	1.2
59.01266	19.3
69.03340	2.1
71.01272	41.2
71.01668	2.1
71.58540	1.5
73.02840	2.2
74.28981	0.8
80.02558	1.1
81.02083	4.2
81.03335	4.8
82.02874	5.7
83.01275	1.8
83.04932	4.6
84.02066	1.0
85.02840	4.1
87.00763	3.0
89.02332	7.9
92.04920	0.9
94.02864	3.5
94.07719	0.9
95.01285	1.0
95.04937	1.9
96.04454	18.3
97.02858	8.6
97.06476	1.2
99.00784	2.1
101.02344	11.2
107.03687	4.6
107.04881	1.2
108.04435	3.0
109.06506	37.0
110.03664	2.0
110.06055	1.9
110.06839	2.3
111.09743	1.0
113.02370	5.5
119.03469	1.7
119.04939	1.4
121.06493	2.7
122.05976	0.9
123.04444	11.6
123.08005	1.0
124.04737	1.1
125.09618	1.9
126.72021	0.8
135.08101	6.4
136.05219	1.7
142.02637	2.3
145.04977	1.9
148.07634	1.2
160.11156	2.2
161.04482	3.9
161.09650	4.1
163.03937	2.3
163.11238	22.0
164.11569	1.5
165.09196	1.4
168.10260	31.3
169.10648	1.3
176.10677	1.4
178.12338	21.1
179.05585	1.3
179.10664	2.7
181.12361	6.2
186.09164	1.9
189.09166	2.3
196.13470	10.1
204.10289	13.4
205.10651	0.9
207.10258	100.0
208.10576	6.7
209.11771	4.0
222.11363	87.6
223.09773	1.8
223.11725	6.7
224.13060	2.1
225.11328	53.4
226.11661	4.0
235.08205	7.7
238.10797	1.5
240.12462	13.3
243.12355	1.8
253.09312	16.2
299.15112	2.1
315.37582	1.1
341.16174	1.1
412.21451	3.6
430.22397	4.2
443.19263	6.6
449.91360	1.0
458.20413	6.9
459.20996	1.2
461.20444	32.8
462.20746	4.0
476.21558	21.7
477.21771	3.1
612.30450	1.4
622.28986	1.2
625.32916	1.4
640.30109	4.8
641.30524	1.5
648.30829	8.9
649.30511	2.6
654.32520	2.8
666.31488	27.8
667.32037	10.9
684.32532	50.0
685.33081	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	685.382
Annotation	Unknow
Peak:m/z	Relative Intensity
56.76585	0.5
57.03328	0.9
59.01265	9.1
61.98715	7.3
62.80194	0.5
71.01259	5.7
71.58042	0.9
72.99197	1.5
73.02824	1.5
74.98975	0.6
75.00768	10.1
83.01272	1.0
85.02850	3.0
87.00758	1.3
88.34727	0.5
89.02321	4.3
93.03358	0.7
96.95902	1.6
97.06498	0.8
99.04423	1.3
101.02346	4.1
104.13630	0.5
109.02873	1.1
110.31465	0.5
111.08080	0.8
113.02354	3.7
113.05912	0.6
117.03393	0.8
118.98000	6.8
119.03413	1.0
119.04932	1.3
119.36136	0.6
121.02843	0.7
123.04441	1.1
123.08075	1.6
125.02363	1.1
131.03391	0.8
133.02867	5.0
134.03764	0.6
135.04439	4.8
135.08102	1.0
136.01582	0.7
137.05975	0.7
145.02846	1.9
146.72232	0.5
147.04439	0.5
149.04530	1.1
149.06006	4.4
150.03159	1.3
150.06804	37.9
151.03841	0.5
151.07227	1.7
157.08636	0.8
161.02394	13.4
161.04471	1.1
161.09584	1.1
162.02773	0.9
162.06799	0.9
163.03976	0.6
163.07584	6.6
164.04550	0.6
164.08379	6.8
165.05466	0.8
167.03433	1.2
174.07129	0.5
175.03909	0.6
177.09146	0.7
178.09911	1.5
178.65526	0.6
179.03467	2.6
179.05682	0.9
179.10739	19.9
180.11115	1.2
191.05580	1.4
193.04961	0.8
203.03496	0.7
205.05240	0.5
229.10757	0.7
243.03061	0.6
271.02637	1.3
292.20587	0.6
299.02057	2.2
300.02832	1.3
303.55280	0.5
311.11160	0.7
313.20169	2.4
314.04498	1.2
315.05145	2.6
320.19830	1.5
325.20258	0.7
335.22266	1.0
341.23508	0.9
343.21100	2.7
364.22607	1.8
392.12271	1.1
441.30255	0.9
446.30762	0.6
447.22205	1.4
462.29868	1.3
475.30951	0.8
476.30643	0.6
477.23453	1.6
477.32193	4.8
478.32449	0.9
493.22415	1.2
493.31766	3.6
494.32065	0.6
504.30795	1.7
505.31851	4.0
507.33005	0.6
522.32068	2.4
523.20862	3.5
523.32819	24.0
524.20245	0.7
524.33142	3.2
609.27832	5.1
610.27960	1.2
623.13843	3.9
625.27899	1.8
685.38190	100.0
686.38562	21.6
692.53717	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.3822
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03332	0.8
59.01262	3.2
61.98725	2.3
69.03322	0.5
71.01270	2.3
72.99210	0.4
73.02839	0.6
74.98969	0.3
75.00723	0.3
83.01286	0.3
85.02854	0.6
87.00783	1.1
87.39784	0.3
89.02318	1.5
89.46335	0.3
93.03395	0.3
95.04892	0.5
97.06503	0.5
99.04420	0.9
101.02345	1.2
103.70654	0.3
109.02882	0.4
111.08073	0.5
113.02368	1.0
113.06013	0.4
113.89023	0.3
116.92870	0.3
118.98003	0.5
119.04922	0.9
122.03627	0.4
123.04452	0.6
123.08077	1.4
125.02345	1.0
133.02859	1.2
135.04433	1.5
136.05194	0.4
137.02319	0.4
137.09624	0.4
145.02922	0.6
148.05264	0.4
149.02409	1.0
149.06035	5.6
150.03223	1.9
150.06807	35.2
151.03937	0.8
151.07254	1.3
155.10722	0.8
157.08664	0.5
161.02405	4.5
161.09604	0.6
163.03932	1.0
163.07602	5.5
163.11253	0.4
164.04688	0.4
164.08369	6.1
165.05524	2.1
165.08836	0.4
171.10219	0.5
176.08415	0.7
177.09137	0.8
178.09982	1.6
179.03467	1.0
179.05458	0.3
179.10739	17.0
180.11079	0.9
195.06609	1.2
201.11380	0.8
229.10762	0.5
242.39906	0.3
257.13849	0.5
261.18710	0.5
292.20352	0.4
299.02188	0.4
306.18472	0.6
311.11523	0.6
320.20041	1.0
321.20667	0.8
335.22333	0.7
341.23444	0.7
343.21289	4.8
344.21622	0.6
364.22620	1.1
394.54944	0.4
441.30316	0.9
459.31332	1.2
462.30109	2.1
463.30563	0.5
476.32260	0.4
477.32303	7.0
478.32712	1.3
504.31094	1.5
505.31818	2.1
522.32214	2.2
523.32867	27.5
524.33179	4.5
619.21869	0.7
623.19666	0.4
625.38983	1.0
685.38202	100.0
686.38531	20.1
686.50635	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.1382
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60901	0.5
57.03351	0.6
59.01271	2.5
60.12115	0.5
61.98718	63.9
65.00229	0.7
70.41229	0.5
71.01275	3.0
72.99207	0.6
73.02845	0.6
83.01299	0.7
85.02857	1.1
87.00809	0.6
89.02325	1.6
90.23634	0.4
96.95929	1.3
99.93511	0.5
101.02348	2.0
107.01311	0.7
109.02904	1.0
111.50571	0.4
113.02338	1.3
116.59547	0.5
116.92775	1.7
117.03391	2.2
119.03484	0.6
119.04969	3.3
121.02896	0.7
125.02385	1.0
133.02879	3.0
135.04454	2.8
137.02376	0.7
145.01826	0.9
145.02901	12.0
145.04070	0.7
147.04451	0.7
149.06041	0.9
150.03098	0.7
150.06815	1.7
151.00307	4.7
161.02391	7.8
162.02765	1.1
163.00281	0.9
163.03969	3.0
165.05598	0.7
167.03514	0.5
169.01315	0.6
171.04567	0.6
173.08131	0.6
179.03452	1.9
179.10805	0.8
183.04440	1.0
187.04031	0.9
191.05594	0.8
199.03990	3.0
203.03410	0.9
205.04936	0.7
211.03938	0.7
215.03497	1.3
222.28087	0.5
227.03398	3.0
228.04091	0.5
242.02213	1.3
243.03029	13.9
244.03540	2.0
255.03056	9.7
257.04553	2.7
270.01675	1.7
271.02548	27.5
272.03195	3.2
284.03287	0.8
285.04025	3.6
286.04810	1.9
287.05643	1.9
293.09177	0.6
299.02048	33.6
300.02795	23.9
301.03018	2.0
307.08316	1.8
313.03479	0.7
314.04388	34.4
315.05154	55.8
316.05475	5.3
351.52777	0.6
392.12418	0.5
623.14166	100.0
624.14606	18.9
650.98456	0.6
685.38721	2.4
687.39746	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	684.1794
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03332	2.0
59.01003	2.4
59.01264	31.4
61.98710	4.2
65.60334	2.1
65.99723	4.2
69.03306	2.6
69.40894	5.7
69.41300	12.4
71.00965	1.9
71.01273	24.2
72.46819	2.0
72.99190	3.7
73.02837	11.5
85.02840	12.4
87.00764	18.1
87.04384	5.3
89.02352	12.2
92.15381	2.0
93.03348	3.1
94.02863	2.2
95.01278	4.1
97.02853	2.2
98.20547	2.5
98.32331	2.1
99.00749	3.2
101.02347	15.0
103.03882	3.0
105.03344	3.8
108.02020	2.3
113.02344	10.0
115.03891	5.2
116.03497	3.0
119.03374	7.3
119.04883	2.1
121.02848	9.6
122.03616	6.5
123.00764	6.7
123.04450	28.8
125.02328	4.3
131.03444	10.1
132.02023	2.6
133.02879	37.1
134.02376	4.3
134.03471	4.1
135.03432	3.8
135.04449	74.1
136.04741	5.9
137.02332	10.6
138.03053	2.5
139.03973	3.2
143.03395	6.2
147.00755	2.5
148.01584	3.7
149.02344	23.6
149.06004	4.2
150.01981	4.1
150.03177	47.4
151.03839	9.4
161.01106	4.6
161.02391	89.4
162.02673	8.8
163.06012	2.4
163.37471	2.2
164.03430	4.5
165.01816	7.2
166.02614	7.6
167.03331	3.4
175.00311	2.6
176.01082	2.8
177.01889	36.6
177.05420	6.4
178.01302	2.7
179.03464	63.4
179.05652	2.7
180.02954	9.3
193.01317	4.0
195.02863	7.4
196.02470	6.8
203.03406	8.8
205.07124	4.5
221.04471	8.2
221.06532	2.6
281.06592	8.2
282.07138	2.2
360.09454	4.5
461.16174	2.7
487.14563	12.1
488.14786	8.6
506.15234	100.0
507.15747	12.1
522.14459	3.6
566.53967	2.7
637.17877	24.6
638.18213	8.5
640.19299	5.1
652.19647	14.3
666.17145	3.3
684.17694	70.9
685.17999	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	684.1802
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	22.1
61.98709	3.4
62.21579	1.5
64.01814	1.7
64.96316	1.4
65.34923	1.3
65.99741	2.3
67.01750	2.2
69.03316	1.6
69.78441	1.5
71.01270	17.1
71.56456	2.7
72.99207	3.4
73.02834	8.9
75.64964	1.6
76.60899	1.5
83.01290	1.5
85.02831	6.9
85.99996	1.9
87.00763	12.1
87.04408	4.0
89.02353	7.7
93.03326	3.1
94.02862	1.7
95.01257	5.1
96.95922	1.6
99.32253	1.6
101.02337	9.8
103.03882	2.4
105.03356	2.1
106.02932	1.7
107.04915	2.7
109.02847	3.4
113.02312	7.4
115.03912	6.0
119.03349	1.7
121.02907	7.1
122.02416	1.7
122.03625	4.3
123.00795	4.3
123.04453	20.3
125.02319	4.2
131.03336	4.8
132.02063	1.8
133.02884	26.9
134.02359	4.5
134.03328	2.1
135.04463	50.3
136.04782	2.6
137.02295	4.2
138.02914	1.4
139.03955	3.1
141.47423	1.4
142.57840	1.6
143.03380	4.4
145.04953	2.3
149.02411	16.3
150.01945	3.1
150.03143	32.1
151.03983	8.4
161.02399	48.8
162.01727	2.9
162.02887	3.7
164.03456	2.5
165.02042	1.7
166.02612	5.1
167.03392	3.5
167.45708	1.7
173.09761	1.4
175.00301	2.4
176.01031	2.1
177.00494	2.3
177.01912	36.8
177.05496	2.9
178.02553	1.9
179.03462	43.0
180.02826	4.0
193.01233	1.5
193.85132	1.4
195.02905	9.2
196.02467	6.9
198.03990	2.7
203.03444	3.6
205.07181	3.8
220.39854	1.5
221.04610	3.6
222.04115	2.4
224.37326	1.3
247.70285	1.7
281.06693	2.4
283.38190	1.5
304.30548	1.8
315.10733	1.7
332.19241	1.6
341.10965	1.7
360.09482	2.8
461.16711	3.3
487.14642	8.5
488.14996	3.4
506.15274	100.0
507.15430	10.9
621.18359	2.7
637.17957	31.5
638.17889	6.8
640.18738	4.5
652.19769	4.4
666.15814	2.1
684.17816	50.6
685.18408	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	684.1798
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29788	0.3
55.01777	0.4
59.01266	8.5
64.01807	1.3
65.99733	1.5
69.03349	0.7
71.01270	11.5
71.06448	0.9
72.99197	0.4
73.02831	3.1
75.25527	0.3
81.03348	0.5
81.94843	0.4
83.01285	1.2
85.02843	3.1
87.00765	3.0
88.98701	1.4
89.02335	6.5
89.97278	0.3
94.02885	0.4
95.01296	1.3
97.02850	1.1
99.00788	1.0
99.63233	0.3
101.02348	7.8
105.03363	0.9
106.02875	0.4
107.04944	0.3
109.02876	2.0
111.00797	0.7
113.02374	3.9
117.03381	0.7
119.03416	2.6
121.01566	0.4
121.02882	0.6
122.02367	0.7
122.03663	1.2
123.03194	0.3
123.04444	1.1
125.02346	1.4
131.03433	2.6
132.02109	1.0
133.02885	23.3
134.02498	1.6
134.03706	3.2
135.04451	32.0
136.04802	1.2
137.02373	1.7
138.03154	0.6
143.03448	0.6
147.04480	0.6
148.05244	0.5
149.02434	1.5
149.06003	2.5
150.01978	1.0
150.03160	18.2
151.03986	1.7
152.03432	0.5
159.03036	0.5
161.02390	63.0
161.04561	2.5
162.01877	2.2
162.02831	1.5
163.03983	0.4
163.83481	0.3
164.03429	1.5
175.03954	1.9
177.01910	1.0
177.05540	4.2
178.02733	0.6
179.03459	24.1
179.05466	1.1
180.02879	3.7
189.05556	0.5
193.04955	0.4
194.59352	0.3
198.04089	1.2
203.03481	6.7
204.03912	0.5
207.06697	0.4
221.04535	2.3
221.06683	2.6
233.04517	0.8
245.04578	0.4
257.14041	0.4
341.09045	0.3
344.75696	0.3
360.09171	0.6
383.09903	0.9
443.12067	0.7
475.15146	1.6
503.14023	3.5
504.13696	2.1
522.14734	10.5
523.14728	1.1
637.17883	15.3
638.18170	3.2
684.17926	100.0
685.18225	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	683.2208
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76411	0.4
58.00476	0.5
59.01263	12.4
61.98701	0.6
71.01276	7.8
71.28522	0.9
72.99192	1.8
73.02834	6.3
78.82522	0.3
83.01264	0.7
83.78763	0.4
85.02842	4.3
85.99996	0.8
87.00777	3.9
87.04420	1.5
89.02339	5.4
90.43903	0.3
93.03376	0.9
95.01351	0.4
97.02871	0.3
99.00735	0.6
101.02345	11.1
103.03906	3.7
105.03413	0.4
107.04925	0.8
109.02882	1.9
113.02353	2.3
115.03908	1.6
117.03389	1.2
119.03439	2.1
121.02866	5.7
123.04415	1.0
125.02328	0.9
131.03439	2.8
132.02083	2.1
133.02881	34.0
134.03598	2.8
135.04446	51.4
136.04805	2.0
137.02368	6.1
138.03127	0.7
139.03934	0.4
143.03421	3.9
145.02908	0.7
145.04991	1.0
145.45476	0.4
146.03662	2.8
147.04456	0.4
149.02402	1.4
149.06017	4.1
150.03134	0.7
151.03912	0.8
153.01854	0.5
160.01645	0.5
161.02391	100.0
162.02773	6.0
163.03992	0.7
163.06071	11.6
164.04755	1.7
164.06328	0.4
165.01889	11.6
166.02603	1.7
168.04315	0.4
173.02390	0.7
175.03926	1.0
177.01903	1.1
177.05502	2.9
179.03462	48.7
179.06975	1.6
180.04074	4.6
181.05017	2.8
189.05568	0.6
191.05603	1.3
195.02980	0.8
203.03497	3.3
205.07172	4.3
209.04552	2.8
220.03827	0.4
221.04462	0.4
225.95282	0.3
233.04578	0.8
255.05109	0.9
259.94971	0.4
265.09357	0.7
281.06769	0.9
281.41452	0.4
307.08188	0.6
311.11441	1.2
323.07629	0.9
469.13199	0.4
487.14673	8.0
488.15054	1.1
489.16257	2.2
503.18042	1.1
651.19434	40.4
652.09717	0.6
652.19836	7.4
683.21857	2.4
684.20490	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	684.1791
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01789	0.5
57.03341	0.8
58.00468	0.7
59.01264	16.1
64.01822	2.6
65.99734	3.1
67.01773	0.7
69.03356	1.3
71.01272	12.6
71.60313	1.2
72.99220	1.7
73.02836	7.4
73.39368	0.6
75.00765	2.5
81.03380	0.9
83.01288	1.7
83.96739	0.6
85.02837	7.8
86.00011	1.9
87.00771	8.4
87.04422	3.5
88.98697	0.5
89.02345	4.3
89.03876	0.7
93.03365	2.3
94.02909	1.2
95.01286	3.8
95.04905	0.6
97.02878	1.2
98.03087	0.5
99.00797	1.7
101.02351	6.3
103.03922	1.7
105.03413	1.6
106.02914	1.6
107.04948	1.5
109.02854	3.0
111.00806	1.2
113.02361	5.1
115.03940	2.0
119.03471	1.0
121.02873	6.4
122.02425	1.9
122.03693	3.6
123.00800	5.5
123.04446	24.3
124.01645	0.7
124.04790	1.3
125.02403	1.7
131.03430	4.6
132.02133	1.1
133.01878	0.7
133.02063	0.4
133.02887	17.0
134.02379	3.5
134.03651	2.1
135.04446	20.6
136.04820	1.0
136.44986	0.5
137.02396	3.8
138.03134	2.2
139.03937	2.9
143.03441	4.6
143.90567	0.6
145.04968	0.6
147.00833	1.8
147.04472	1.0
148.01614	1.8
149.02394	13.9
149.06059	1.9
150.01961	2.2
150.03166	28.9
151.03993	5.4
152.03467	1.2
153.01889	0.8
154.02618	0.9
159.02956	0.5
161.02391	26.9
161.04451	1.1
162.01762	3.3
163.02730	1.0
163.03987	0.8
163.06100	1.2
164.03529	0.9
165.01892	0.8
166.01451	1.2
166.02649	4.0
175.00378	1.2
175.03969	2.4
176.01146	1.5
177.01897	28.9
177.05374	3.2
178.01280	1.3
179.02162	0.9
179.03481	16.3
180.02942	5.9
187.71834	0.6
193.01199	0.7
193.05144	0.8
193.23064	0.6
195.02980	8.6
196.02432	8.0
198.04059	3.7
199.04378	0.6
203.03482	10.6
205.07204	1.8
214.03624	0.9
219.03020	0.6
221.04562	2.6
221.06841	1.6
233.04520	0.8
233.89932	0.5
237.04045	1.0
245.04704	0.7
281.06650	4.0
341.11035	3.8
360.09537	2.3
371.61731	0.5
459.15182	0.6
461.16846	1.1
469.13785	1.4
485.13522	0.7
487.14639	7.3
488.14581	1.7
503.14005	1.7
506.15253	100.0
507.08133	0.8
507.15549	13.8
507.22693	1.1
508.16013	1.0
522.13843	2.7
637.17889	20.6
638.18286	6.4
639.19391	0.9
640.19598	2.9
666.16626	2.6
667.16949	1.1
684.17926	62.2
685.18274	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	683.1839
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99778	0.7
57.03341	1.1
59.01255	4.4
68.99696	1.4
69.03341	0.8
69.33594	7.3
71.01263	2.7
72.99175	0.7
73.02824	1.7
79.06603	0.6
81.03342	7.6
82.15884	0.6
82.46964	0.7
83.01270	6.0
85.02840	2.5
89.02308	1.4
93.03365	5.6
95.01266	2.2
95.04902	3.6
97.02840	5.0
98.19838	1.5
99.04417	2.5
101.02369	1.3
102.44444	0.7
107.04910	1.3
109.02852	2.9
109.06487	1.3
111.00768	1.3
111.04403	3.1
113.02324	1.6
114.31835	0.7
118.59062	0.6
119.04947	8.5
121.02842	4.6
121.06510	1.7
122.03624	1.3
123.00800	1.1
123.04430	16.0
125.02363	11.6
133.02861	2.7
135.04457	7.6
137.02405	6.6
137.06027	7.0
138.03125	1.1
139.03934	9.8
139.68953	0.6
142.38445	0.7
143.05046	0.7
147.04483	4.3
149.02390	1.4
149.06004	2.6
150.03088	1.2
151.03958	4.0
151.07547	0.8
153.05470	1.7
161.02359	5.8
161.06004	1.9
163.04002	3.4
163.07649	0.9
165.01834	3.2
165.05501	6.5
166.02673	1.4
167.03442	25.3
168.03813	1.1
175.03949	1.7
177.01901	1.5
177.05565	3.3
179.03481	10.4
179.06992	1.5
180.04179	1.2
181.04958	2.3
189.05507	7.5
191.03447	2.7
191.07095	0.9
193.05040	3.8
197.04570	3.4
198.04015	1.0
203.03519	1.5
207.06628	1.9
209.04533	26.3
210.04915	1.4
219.02951	1.4
219.06586	0.8
221.04486	4.7
223.06110	1.1
229.08693	1.7
233.04590	1.3
235.06067	1.0
239.05623	9.5
251.05653	3.6
263.05563	1.3
269.06805	2.1
273.07791	3.8
281.06604	1.9
285.07742	1.4
306.80856	0.7
313.11142	1.0
313.14868	0.8
315.08780	14.8
316.08908	1.5
327.08823	8.5
342.11032	0.9
345.09824	4.9
357.09854	100.0
358.10248	9.7
368.64581	0.7
369.09970	2.9
371.11655	0.7
387.10941	74.0
388.11234	5.4
399.11011	3.2
417.12012	23.0
418.12280	2.2
423.11972	0.7
429.12158	1.4
441.12024	2.5
459.13223	5.2
471.13229	2.2
477.14151	22.9
478.14536	2.7
487.14929	1.0
489.14008	3.6
501.14020	2.5
507.15567	1.8
519.15283	6.6
531.15662	1.2
549.16223	1.5
563.14679	1.1
597.18286	2.1
621.18097	0.7
639.19592	4.8
651.19684	1.8
683.18762	2.1
683.38641	1.4
684.17841	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	680.22
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	35.2
65.99735	33.6
71.01266	26.5
71.60175	2.8
72.99205	31.4
73.02853	8.8
75.00774	3.7
77.46861	1.9
81.28745	1.9
85.02848	9.5
85.99986	2.0
87.00771	9.3
87.04378	4.0
89.02349	19.0
90.25240	1.9
93.03398	2.6
98.02387	2.6
99.00846	2.7
100.00247	2.3
101.02354	21.5
103.03905	2.6
104.01064	1.8
105.03375	2.7
107.04968	2.9
109.02872	4.5
113.02364	11.2
115.03925	2.7
117.03437	2.3
118.02928	3.1
119.03409	12.1
119.04979	2.8
121.02882	7.0
123.04462	14.8
131.03458	5.8
132.02155	4.6
133.02890	50.5
134.03694	4.0
135.04457	82.8
136.04814	5.3
137.02377	50.8
138.02792	2.1
143.03458	8.4
145.02934	11.0
146.02463	5.1
147.00851	2.3
147.03221	9.7
147.04475	18.4
148.04022	4.6
149.02432	11.1
149.06055	3.2
150.03168	31.0
150.05524	3.5
151.03972	7.7
153.05504	3.1
160.01649	2.8
160.04033	5.5
161.02393	96.2
162.03026	3.1
162.05556	29.6
163.03958	14.3
163.05989	4.5
165.05533	2.5
172.04074	3.7
173.02422	13.9
174.01938	3.1
174.05545	13.7
175.03960	11.8
175.06024	2.1
176.01118	2.7
176.03452	23.7
176.04741	1.9
177.01949	18.0
177.05557	3.8
178.02597	5.7
179.03464	23.8
183.81200	1.8
190.01483	6.4
190.05040	19.7
190.06398	2.1
191.02112	2.7
191.03531	20.0
192.03027	8.1
192.06635	5.3
194.04803	2.3
197.04637	2.3
200.03506	27.3
203.03485	15.6
205.07222	4.6
216.03049	8.5
217.03401	5.0
218.01357	11.3
218.04597	100.0
219.01547	2.9
219.03273	2.3
219.04967	6.6
220.02583	8.3
234.54134	2.1
236.02008	2.8
236.05629	14.0
240.87009	1.7
281.06815	8.1
315.10986	16.0
332.35953	2.0
443.16000	8.4
444.16168	2.1
461.16748	74.9
462.17078	9.6
463.77695	2.1
487.14694	16.3
488.14981	3.6
500.17542	4.6
517.15979	4.9
518.18970	2.3
519.17566	3.8
542.18732	2.6
637.18878	3.2
644.20538	2.5
653.20984	4.4
662.21075	32.0
662.31531	3.2
663.21417	6.2
680.21985	88.5
681.21399	25.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	680.2217
Annotation	Unknow
Peak:m/z	Relative Intensity
56.03991	1.8
58.00496	2.3
59.01263	34.6
65.60999	1.7
65.99735	33.9
66.00058	2.5
70.87347	3.9
70.87685	2.0
71.01268	20.5
72.99200	28.2
73.02837	10.7
83.01318	1.8
85.02849	10.6
85.99986	2.1
87.00789	8.5
87.04430	4.0
89.02338	19.3
89.02768	1.8
93.03371	3.6
95.01300	2.6
95.04926	1.9
99.00742	2.0
99.03591	1.7
99.04383	1.8
100.00357	2.2
101.02350	21.8
101.39532	1.8
103.03911	3.8
105.03366	3.9
107.04976	4.3
109.02890	4.3
111.00899	1.9
113.02383	10.0
115.03928	3.2
117.03397	3.2
118.02901	2.5
119.03390	9.5
119.04949	5.2
120.04436	4.6
121.02908	6.2
123.04449	16.4
124.04792	2.3
125.02389	2.3
131.03467	6.8
133.02882	51.7
134.03587	2.8
135.04449	86.9
136.04808	3.8
137.02379	49.6
139.03917	1.9
143.03465	8.7
145.02921	8.0
146.02451	4.9
147.00905	2.6
147.03214	10.1
147.04485	16.0
148.03993	7.0
149.02361	8.8
149.06078	3.5
150.03168	30.4
150.05629	2.7
151.03938	7.9
152.62309	1.7
153.05527	6.0
156.04501	2.4
160.01630	2.1
160.03961	3.7
161.02393	100.0
162.02896	3.9
162.05556	26.9
162.06885	2.7
163.03969	15.0
163.06049	4.6
165.05637	3.3
172.04044	3.9
173.02382	15.7
174.01952	5.1
174.05568	17.1
175.03943	11.9
176.03470	24.9
176.04709	2.1
177.01917	19.7
177.03429	2.8
177.05562	2.5
178.02434	4.1
179.03464	27.2
189.01927	3.0
190.01573	5.2
190.05026	23.0
191.01962	2.8
191.03542	26.1
191.05324	3.5
192.02916	8.9
192.06689	2.9
195.03056	3.4
200.03513	29.8
201.03896	2.5
203.03517	15.0
204.03867	2.4
204.20822	2.0
205.07239	7.0
216.03094	7.9
217.03407	4.0
218.01418	12.8
218.04605	97.9
219.03206	3.8
219.05051	5.5
220.02557	9.0
221.04764	2.6
236.05675	18.9
259.52011	1.9
281.06784	7.9
315.10901	18.9
329.44022	2.3
443.15637	10.1
461.16724	67.7
462.17450	8.2
469.13715	2.6
487.14731	20.3
488.15115	3.6
500.18170	2.5
517.15863	4.2
519.17029	3.4
534.17047	2.0
542.19281	2.6
595.20996	2.5
637.19427	4.3
646.87189	2.2
653.21387	2.1
662.21106	29.2
663.21478	6.6
680.21948	86.0
681.21417	26.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	678.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91879	2.0
59.01274	16.6
65.99728	3.1
70.87192	6.3
71.01256	9.2
72.99198	5.0
73.02812	3.9
73.39427	2.0
85.02836	4.5
87.00780	3.9
87.04411	2.5
89.02328	4.6
93.03345	3.6
97.89199	2.1
101.02343	7.0
105.03408	2.7
113.02364	4.8
115.03895	1.9
115.62860	1.9
117.03315	3.3
119.03429	5.1
121.02870	2.8
123.04444	10.0
125.02401	2.7
131.03410	3.0
132.02060	2.2
133.02902	21.8
135.04442	39.8
137.02367	3.1
143.03427	3.9
145.02898	7.7
147.04466	4.6
149.02380	4.8
149.06003	5.3
150.03094	3.6
151.03905	6.0
153.05423	2.3
161.01074	3.9
161.02396	58.8
162.02718	2.4
163.03976	11.6
172.03972	6.6
173.02341	4.7
174.05563	4.6
176.01067	2.4
176.03416	2.3
177.01910	39.3
178.02191	3.5
179.03465	21.1
188.03432	4.8
189.01894	28.9
190.05019	7.5
200.03494	6.0
205.07127	2.6
215.02203	1.9
216.03038	100.0
217.03354	7.0
218.04552	5.7
292.04065	2.1
314.92249	2.2
315.10892	4.3
461.16931	6.0
487.14853	3.3
500.17786	8.7
538.83881	2.5
635.53467	2.1
638.18634	2.6
641.08441	2.8
651.19989	5.2
660.19220	4.9
678.20508	46.8
679.20197	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	678.3301
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07084	0.2
59.01264	0.3
61.98717	100.0
71.22225	0.2
71.22566	0.3
101.46132	0.2
110.53936	0.2
151.89255	0.2
197.63008	0.2
205.47517	0.2
209.06299	0.2
210.06839	1.6
211.07622	23.3
212.07971	23.4
213.08249	11.9
214.08496	2.9
260.19202	0.2
375.71307	0.2
480.96713	0.2
690.00507	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.1527
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	0.6
63.02284	0.5
65.00230	0.4
75.09644	0.3
93.03345	0.4
107.01273	1.5
117.03404	0.5
124.94387	0.3
131.15646	0.3
132.02089	1.2
133.02878	1.1
135.00806	0.9
135.04442	1.2
137.02287	0.3
143.04880	0.4
145.02895	0.7
149.02359	0.4
151.00322	2.7
151.03891	0.3
161.02374	2.8
161.26997	0.3
163.00266	0.9
163.03923	0.4
164.01132	0.6
165.01920	0.3
169.01320	0.5
178.99797	1.1
179.03452	1.0
183.04469	0.9
185.02351	0.3
187.03929	0.7
190.99930	0.3
199.04018	0.5
211.03990	1.4
212.04790	0.3
222.42508	0.4
227.03497	40.0
228.03931	2.0
229.05031	1.1
229.56943	0.3
239.03482	0.5
255.03023	74.6
256.03540	8.3
257.04480	1.3
283.02536	1.2
284.03317	100.0
285.03897	12.7
286.04327	0.6
303.64304	0.4
309.03964	0.4
471.09381	0.8
635.16290	63.4
636.16626	8.9
679.21667	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.377
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57580	0.2
55.01761	1.2
57.03339	0.8
58.00481	1.7
59.01265	34.0
60.01589	0.4
67.01758	0.2
68.99704	0.5
69.03340	1.8
71.01270	34.4
71.40538	0.2
71.59476	0.2
72.01600	0.4
72.99206	3.0
73.02837	5.9
75.00765	0.9
78.95799	0.9
80.96402	0.2
81.03343	1.7
83.01279	4.1
83.04919	0.4
85.02844	7.4
85.99984	0.2
87.00772	8.8
87.04393	0.4
89.02337	28.4
90.02684	0.4
91.03915	0.6
93.03353	0.3
95.01279	2.2
97.02854	5.7
97.03487	0.3
99.00780	2.4
99.04411	0.4
101.02345	28.0
102.02686	0.5
103.00280	0.3
103.03912	0.3
109.02876	0.6
111.00799	0.6
111.04419	1.1
111.89088	0.1
112.01595	0.2
113.02356	13.2
114.02686	0.2
115.03934	0.9
119.03416	8.6
120.03786	0.2
121.02872	0.6
123.00835	0.4
123.04436	0.4
124.01589	0.2
125.02364	12.7
126.02683	0.3
126.24043	0.2
127.03913	0.5
129.01866	0.3
131.03430	1.4
133.04996	1.0
135.04396	0.2
137.02332	0.3
139.03937	1.3
141.01848	0.6
143.02361	0.3
143.03438	5.6
145.02859	0.4
149.02348	0.2
149.04477	1.1
151.03923	0.2
152.99529	1.3
155.03464	0.2
157.04999	0.4
161.02448	0.2
161.04500	6.3
164.76804	0.2
167.03468	0.8
169.05003	0.5
171.02899	0.2
173.14651	0.2
175.47403	0.2
179.05568	6.1
181.05013	0.2
185.04553	0.6
199.06044	0.4
203.05592	0.6
211.07555	0.8
217.07167	1.1
219.05151	0.5
221.06641	2.3
223.00203	0.2
235.08258	13.0
236.08678	0.5
241.01205	0.5
245.06664	0.6
253.09341	2.9
261.22147	0.3
261.43066	0.2
263.07736	1.1
277.09442	0.8
279.23346	100.0
280.23706	8.8
280.26334	0.1
287.07758	3.3
293.24951	0.3
305.08832	3.5
306.09201	0.4
323.09842	1.7
331.15540	0.3
361.11346	0.5
379.12640	1.0
397.13586	80.3
398.13910	6.5
415.14661	32.0
416.15033	2.5
577.26343	0.2
595.29065	1.8
596.29840	0.3
677.37646	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.1041
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	0.4
59.18916	0.1
71.01259	0.3
79.95624	2.7
89.02335	0.2
96.95915	100.0
97.95850	0.3
101.02341	0.2
113.02358	0.2
119.04938	0.4
120.82377	0.2
133.02913	0.4
135.04451	0.7
137.02373	0.2
145.02840	0.2
150.03227	0.2
151.00241	0.2
161.02409	0.7
163.03973	0.6
177.01837	0.4
178.99911	0.2
179.03531	0.3
189.01907	0.2
216.03049	1.0
225.46622	0.1
243.03012	0.2
255.02998	0.3
271.02634	0.7
300.02780	2.0
304.84869	0.2
461.17728	0.2
464.78000	0.1
579.13867	1.7
580.14117	0.3
615.24835	0.1
676.19495	0.2
677.20721	0.2
678.20331	0.6
686.95428	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	675.3611
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01773	1.8
57.03329	1.0
58.00478	2.3
59.01263	47.2
60.01597	0.4
67.01765	0.2
68.99709	0.5
69.03345	2.5
71.01268	39.0
72.01606	0.7
72.99194	2.9
73.02836	6.6
75.00761	0.8
81.03352	1.8
82.58901	0.1
83.00800	0.3
83.01278	4.3
83.04917	0.3
85.02842	8.9
85.99976	0.3
87.00768	9.5
87.04398	0.4
89.02334	35.5
90.02674	0.5
91.03902	0.8
93.03362	0.4
95.01286	2.7
95.04920	0.3
97.02851	7.0
98.03236	0.1
99.00781	2.4
99.04430	0.5
100.68246	0.1
101.02344	32.9
102.02680	0.6
103.00272	0.3
103.03911	0.5
109.02855	0.5
111.00802	0.6
111.04420	1.5
112.01543	0.3
113.02355	15.1
114.02717	0.4
115.03892	0.8
119.03414	10.0
121.02857	0.7
123.00798	0.5
123.04433	0.6
124.01572	0.5
125.02363	13.4
126.02741	0.4
127.03941	0.5
127.07565	0.3
129.01895	0.2
131.03421	1.9
133.04999	1.2
135.04291	0.1
137.02396	0.4
139.03955	1.0
141.01875	0.7
142.02644	0.2
143.03429	6.0
149.02448	0.2
149.04483	0.9
151.03975	0.2
152.89314	0.2
153.01762	0.2
155.03445	0.2
157.05029	0.4
161.04500	7.1
162.04813	0.3
163.03983	0.2
167.03430	0.9
167.98207	0.1
169.05008	0.4
171.02943	0.6
174.31335	0.1
175.05940	0.1
179.05573	7.0
180.05815	0.1
181.05057	0.3
185.04497	0.8
189.03934	0.2
199.06111	0.5
203.05611	0.5
205.19540	0.2
217.07135	1.3
219.05121	0.6
221.06660	2.7
227.05743	0.2
233.06609	0.2
233.22812	0.3
235.08237	16.5
236.08664	0.8
245.06659	0.8
253.09296	3.3
259.08292	0.2
259.20700	0.4
263.07782	1.6
275.20218	0.5
277.09616	1.0
277.21768	100.0
278.22110	9.7
287.07764	4.0
288.08151	0.3
291.23407	0.3
305.08868	4.7
306.09250	0.3
323.09909	2.0
324.10135	0.2
338.71277	0.2
361.11444	0.5
379.12628	1.5
397.13568	96.5
398.13910	8.4
398.19229	0.3
415.14642	39.0
416.14975	3.3
494.84338	0.2
675.36060	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3555
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	2.3
61.98724	0.4
64.98042	0.3
69.96561	1.5
107.70881	0.3
117.03371	6.8
119.04944	8.9
120.05273	0.4
121.02869	2.9
123.04433	1.1
133.02879	0.5
145.02893	45.6
146.03204	1.5
162.03168	1.1
163.02695	0.7
163.03970	9.2
164.04367	0.3
180.98599	0.3
211.07590	1.9
212.08072	0.4
226.63356	0.3
239.86563	0.3
283.74051	0.4
286.67804	0.3
299.16586	100.0
300.16928	9.7
304.72171	0.4
315.16077	71.2
316.16434	6.8
360.14728	1.2
360.50766	0.3
539.59619	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.361
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01773	1.9
57.03339	1.5
58.00481	2.5
59.01266	55.1
60.01594	0.6
62.03493	0.2
62.39111	0.2
67.01752	0.4
67.06237	0.2
67.64986	0.2
68.99703	0.5
69.03346	3.0
71.01270	44.7
72.01606	0.8
72.99202	3.1
73.02835	7.3
73.03248	0.4
74.00994	0.2
75.00760	0.7
81.03349	2.1
83.01277	5.7
83.04905	0.7
85.02842	9.0
85.99969	0.3
87.00773	12.1
87.04417	0.3
88.01054	0.2
89.02339	36.5
90.02661	0.4
91.03902	0.8
93.03358	0.5
95.01290	3.5
95.04942	0.2
96.14893	0.2
97.02854	7.3
97.06552	0.2
99.00778	2.7
99.04445	0.5
101.02345	35.3
102.02700	0.6
103.03903	0.6
109.02862	0.6
111.00787	0.7
111.04465	1.3
112.01610	0.3
113.02358	17.9
114.02676	0.5
115.03919	0.9
117.45289	0.2
119.03422	10.4
121.02868	0.6
122.75114	0.2
123.04441	0.6
124.01577	0.5
125.02369	15.0
126.02734	0.4
127.03942	0.5
127.07561	0.3
129.01871	0.3
130.38933	0.2
131.03423	1.8
133.02934	0.2
133.04996	1.4
137.02379	0.4
139.02892	0.2
139.03920	0.9
141.01863	0.8
141.05562	0.2
143.03438	6.4
149.02429	0.3
149.04507	1.8
157.05028	0.4
161.04509	7.3
162.04886	0.3
167.03453	0.8
169.04958	0.5
171.02870	0.4
179.05571	6.7
180.05928	0.2
181.05019	0.6
185.04517	0.7
199.06128	0.6
203.05634	0.6
211.07707	0.3
217.07162	1.1
219.05023	0.6
221.06641	3.0
233.15405	0.3
233.22847	0.3
235.08243	15.2
236.08632	0.6
245.06679	0.7
251.77731	0.2
253.09319	3.6
259.20779	0.5
263.07831	1.9
275.20145	0.5
277.09366	0.9
277.21777	100.0
278.22110	9.8
283.08255	0.2
287.07816	4.1
291.23358	0.4
295.01157	0.2
305.08865	4.4
306.09244	0.3
323.09885	1.8
361.11371	0.8
379.12473	0.9
397.13593	89.6
398.13943	7.8
404.04053	0.2
415.14661	36.5
416.15027	2.7
425.32230	0.2
593.27753	0.4
675.36261	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3554
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	1.5
61.98716	0.6
69.24286	1.0
69.24708	3.1
100.65354	0.4
117.03370	9.5
118.04150	0.6
119.04948	8.5
121.02873	2.7
123.04436	1.2
145.02885	59.7
146.03233	2.8
162.03168	1.6
163.03960	8.4
175.95236	0.4
203.85655	0.4
210.06873	1.1
211.07626	11.1
212.07974	1.4
277.21667	0.4
299.16580	100.0
300.16928	9.3
315.16074	99.3
316.16443	10.5
329.13876	0.7
343.73953	0.3
348.55838	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3552
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60187	0.1
59.01260	1.9
60.10676	0.1
60.27177	0.1
69.94995	0.4
69.95403	0.3
93.03368	0.5
106.99834	0.1
117.03369	0.3
119.04964	0.2
123.04459	0.4
128.58324	0.1
145.02885	1.2
161.04565	0.1
165.83655	0.1
169.06621	0.2
183.08156	0.5
193.06525	0.2
196.05312	0.2
209.06018	0.4
210.06860	7.5
211.07632	100.0
212.07973	6.4
299.16605	1.8
300.16922	0.2
315.16119	1.7
408.62918	0.1
412.62869	0.1
418.16946	0.1
528.71613	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3552
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01260	3.7
61.98719	1.1
69.28033	3.4
85.48846	0.3
98.20515	0.7
117.03377	7.5
118.04245	0.4
119.04942	12.1
121.02899	2.2
123.04438	0.9
133.02875	0.6
145.02885	63.8
146.03210	2.9
151.11208	0.7
162.03139	1.1
163.03954	10.1
164.04192	0.4
169.12393	0.4
210.06827	1.6
211.07628	22.9
212.07886	1.6
254.03085	0.3
299.16574	80.4
300.16913	8.0
315.16068	100.0
316.16406	10.0
332.41788	0.4
615.34045	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3557
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26311	0.1
52.08622	0.1
59.01262	1.5
61.89720	0.1
61.98710	0.4
69.62505	0.1
69.99404	0.1
71.16962	0.4
77.40406	0.1
93.03355	0.6
95.04916	0.2
98.19857	0.1
104.51452	0.1
117.03369	0.5
119.04925	1.1
123.04407	0.3
145.02908	1.9
165.13876	0.1
172.86014	0.1
182.07300	0.2
183.08086	0.6
193.06517	0.3
209.06116	0.4
210.06860	8.6
211.07631	100.0
212.07968	8.8
213.08173	0.2
239.72539	0.1
299.16620	2.2
300.17017	0.3
315.16043	3.7
316.16348	0.4
373.40506	0.1
466.10663	0.2
627.93158	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	675.3554
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01267	1.2
61.98721	0.5
67.23878	0.1
71.16643	0.2
93.03355	0.5
117.03388	0.1
123.04455	0.3
145.02866	0.1
169.06561	0.2
183.08090	0.4
193.06522	0.1
209.06082	0.3
210.06870	8.1
211.07634	100.0
212.07968	8.3
213.08121	0.5
255.73224	0.1
264.05554	0.1
285.02863	0.1
299.16779	0.1
315.15778	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	675.355
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01264	1.2
61.98709	0.2
65.37223	0.1
70.34172	0.2
70.34568	0.3
78.99431	0.1
93.03367	0.5
107.15028	0.1
117.03396	0.4
123.04429	0.4
137.37799	0.1
145.02873	0.9
163.03922	0.2
169.06544	0.2
179.73573	0.1
182.07352	0.1
183.08070	0.6
186.63496	0.1
192.80893	0.1
209.06027	0.2
210.06851	8.2
211.07629	100.0
212.07973	9.0
213.08231	0.5
299.16565	1.3
315.16058	1.5
316.16446	0.2
325.61490	0.1
404.77686	0.1
456.94772	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	675.3552
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01264	0.8
70.97369	0.2
74.08080	0.1
85.37237	0.1
90.60485	0.1
93.03365	0.7
117.03381	0.2
123.04440	0.3
164.70189	0.1
169.06528	0.2
181.06427	0.1
182.07420	0.1
182.87994	0.1
183.08070	0.5
193.06607	0.1
196.05144	0.1
209.06114	0.4
210.06865	8.7
211.07632	100.0
212.07970	6.8
243.72894	0.1
263.84879	0.1
280.74194	0.1
315.15903	0.1
414.14902	0.1
592.03302	0.1
615.65198	0.1
653.64093	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	675.269
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01267	10.3
61.24079	0.9
61.98711	3.7
71.01279	4.6
71.57607	1.3
73.02850	1.4
74.98978	1.4
80.04953	3.0
81.03364	1.0
85.02836	1.8
87.00764	1.3
89.02324	2.2
94.02895	2.7
94.06537	3.3
95.04931	1.0
96.95910	8.6
98.02376	3.5
101.02343	2.9
104.04989	1.7
106.06528	2.4
107.03673	3.2
108.04462	1.6
110.02407	8.6
111.04430	9.4
113.02350	2.5
119.03370	1.0
120.08123	7.1
121.05238	0.9
122.06032	24.5
123.04439	1.7
123.06380	1.1
124.03970	2.2
125.02348	1.4
132.04482	2.8
133.02888	4.2
134.06032	3.6
135.04443	6.8
136.03949	2.5
137.02417	1.4
138.05568	1.9
139.02625	1.7
147.05611	1.4
147.33887	0.8
148.04027	1.4
149.06032	2.5
150.05565	8.3
152.03497	7.1
152.07117	33.3
153.07443	1.0
154.05092	2.0
160.04057	2.4
161.02417	11.7
161.04646	3.2
162.02785	2.2
162.05533	2.3
165.01839	1.7
168.06631	1.3
174.05566	4.1
175.05066	1.4
179.03448	5.3
180.04121	1.4
181.05109	1.0
190.05074	3.0
195.06520	1.5
201.10335	5.6
211.08731	1.0
213.10324	3.4
223.08667	1.1
225.07719	1.3
225.10249	1.8
227.11948	4.1
229.09834	11.3
229.13455	2.7
230.09947	1.2
237.10399	3.1
238.10997	1.1
239.11884	2.3
241.09831	2.7
245.13062	2.2
251.08200	1.7
253.09720	1.4
255.11433	9.8
257.13000	2.0
265.09955	4.3
267.11380	1.7
273.12430	2.7
278.10489	1.0
279.11389	1.9
281.13013	4.7
283.10956	1.4
292.08563	1.4
293.12753	1.0
294.10187	1.0
295.10779	2.0
301.11987	19.6
309.12350	1.5
313.12024	3.1
317.11465	1.0
319.13049	13.8
323.10364	2.2
325.11874	5.5
326.12567	1.3
341.11322	0.9
344.14130	1.5
355.13190	5.6
356.13889	1.2
358.11783	1.8
359.12781	1.0
361.18900	1.4
372.13519	2.2
373.14319	1.5
374.15125	7.2
375.15765	1.0
383.61920	1.3
386.11176	1.4
388.16742	6.8
392.12286	2.7
392.62460	5.0
393.12524	1.6
400.13040	3.9
401.13617	1.2
413.12646	1.2
416.16284	16.5
417.16519	1.8
428.16321	1.3
434.17218	1.8
490.20227	1.4
499.67517	1.1
531.25928	1.3
539.23230	3.6
553.24536	1.2
555.27393	1.0
557.24176	7.8
558.24396	1.0
581.24164	8.3
582.24884	1.1
599.16187	1.9
599.25262	21.9
600.25946	3.4
601.24030	1.3
602.23883	1.4
625.23065	5.0
643.24298	42.4
644.24457	8.6
657.25787	1.7
675.26849	100.0
676.27167	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	675.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54399	0.7
54.36352	0.7
57.82282	0.8
58.33731	0.7
59.01267	15.2
61.98716	4.2
71.01269	4.7
73.40953	0.8
74.98981	2.8
76.16822	0.8
76.98556	0.8
79.98882	0.7
80.04946	3.3
80.24737	0.8
81.03341	1.7
83.01281	1.0
83.04918	2.0
85.02825	1.7
87.00767	0.9
89.02361	1.9
90.14171	0.9
93.03359	0.8
94.02876	1.6
94.06520	2.0
95.01305	1.2
96.95922	9.6
98.02370	3.5
99.04382	1.0
101.02348	3.1
104.04965	2.3
106.06510	2.8
107.03654	3.5
107.04920	0.8
108.04465	1.6
109.02879	1.2
110.02383	9.1
111.04436	11.5
113.02299	1.9
119.04948	1.7
120.04456	1.9
120.08108	8.7
122.02386	1.2
122.06036	27.4
123.04410	1.9
124.03937	1.0
125.02408	1.4
130.06526	1.2
131.03435	1.1
132.04471	3.1
133.02863	5.5
134.06026	3.6
135.04448	6.7
136.03935	4.3
137.02362	1.3
137.04671	1.4
138.01860	0.9
138.05524	3.3
138.19272	0.8
139.02664	2.1
139.77136	0.8
145.02896	1.8
147.05562	2.2
148.03954	2.1
149.05960	1.6
150.05551	10.0
152.03487	8.5
152.07112	39.6
153.04251	1.1
153.07396	1.1
154.05016	3.6
160.03998	2.5
161.02385	19.1
161.04614	2.5
162.02693	2.4
162.05537	3.0
163.03915	1.6
168.06593	2.6
174.05568	4.3
175.05119	1.1
179.03438	3.3
180.04152	0.9
185.07083	1.2
190.05055	4.3
192.34573	0.8
201.10289	7.8
204.13945	0.8
209.11829	3.5
210.36311	0.8
211.08734	1.8
213.10291	4.8
214.10945	1.2
223.08662	1.5
224.09514	1.7
225.10358	1.3
227.11896	6.8
229.09825	11.4
229.13361	4.6
237.10323	3.1
237.14040	1.1
238.10823	1.4
239.11899	4.1
241.09840	2.4
245.12976	3.2
251.08267	1.0
251.11987	1.2
253.07397	0.9
253.09886	1.1
255.11453	9.7
257.12939	4.0
265.09964	4.4
265.12411	1.0
267.11377	1.9
273.12570	4.1
275.13931	1.2
277.09949	1.3
279.11475	2.4
281.12955	4.4
283.11038	1.5
287.10550	1.1
291.11389	1.1
293.09601	1.2
295.10861	3.4
301.11978	22.1
302.12369	3.1
313.12082	3.4
319.13052	20.6
320.13315	2.0
323.10437	3.3
324.10956	1.2
325.12009	10.5
326.12631	2.2
341.11530	1.0
342.12540	1.3
344.10110	1.1
355.13168	8.8
356.13840	1.7
358.11963	1.9
358.15894	1.0
359.12686	2.2
372.13626	3.1
373.14276	2.7
374.15158	8.6
386.11063	1.6
386.15350	1.3
388.16794	10.0
389.17480	2.1
391.15170	1.2
392.11954	4.6
392.16556	1.7
392.62643	6.0
393.12268	1.1
400.13040	3.6
401.13574	1.3
413.62772	1.2
415.15762	1.0
416.16245	19.9
417.16406	3.3
419.15054	0.9
428.16449	1.3
434.17215	2.2
446.21002	1.5
462.19910	1.2
487.67822	1.1
499.67184	1.9
531.26874	0.9
535.55609	1.0
539.23071	2.5
553.24811	0.9
555.26233	1.9
557.24237	9.7
558.24750	2.3
575.25720	1.1
581.24286	11.2
582.24377	2.0
599.25305	25.8
600.25787	5.8
601.23389	1.6
602.23773	2.0
625.23737	4.3
626.23199	1.4
631.27692	1.7
639.26685	4.2
640.26910	1.3
643.24237	51.2
644.24640	11.4
656.29199	1.2
656.79407	1.4
657.25848	2.6
675.26874	100.0
676.27197	22.3
676.38501	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.2162
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01769	1.3
57.03328	2.2
58.00492	0.8
59.01266	30.3
60.34563	0.6
61.98724	1.2
69.03342	1.7
71.01271	43.3
71.58015	1.1
72.99198	2.1
73.02836	16.9
75.00753	0.9
78.95812	0.9
81.03350	1.2
83.01274	7.7
83.02396	0.9
85.02840	21.6
87.00768	5.9
89.02339	10.7
93.03366	0.8
95.01279	4.4
96.95900	2.7
97.02863	2.5
99.00774	16.2
99.04444	0.8
101.02345	24.8
102.02651	0.7
109.02863	1.1
111.00786	1.3
113.02357	25.5
114.02698	1.0
116.92775	1.7
117.03281	0.7
119.03471	3.1
119.04884	0.9
123.04427	1.2
124.37905	0.5
125.02354	7.5
127.03957	0.9
131.03439	2.5
131.04950	1.0
132.05763	1.0
133.02896	2.5
133.06520	100.0
134.06844	4.4
135.04459	4.0
137.02351	1.9
139.03954	0.8
143.03432	9.4
145.02899	2.4
149.02373	0.9
149.04472	1.7
149.06041	1.7
150.03166	1.3
159.02934	2.1
161.02440	6.3
161.04495	18.3
162.02721	1.0
163.03934	1.1
167.03455	1.6
177.01852	1.2
179.03404	1.7
179.05554	1.7
191.05659	0.9
203.05563	1.3
211.07625	0.7
219.05048	0.9
221.06685	0.8
229.08588	1.0
229.60297	0.6
255.03149	0.7
271.02618	0.7
271.61124	0.6
275.07800	0.9
281.45142	0.7
295.11865	2.3
305.08838	7.6
323.09872	6.5
331.28189	0.9
365.10919	8.6
392.12308	1.3
427.16174	49.1
428.16479	4.8
439.16055	2.4
457.17172	1.4
469.17377	5.2
477.23795	0.8
499.17883	3.2
513.19592	0.7
553.19391	1.4
571.20447	13.7
572.20874	1.4
589.21521	38.9
590.21948	5.7
631.22565	31.8
632.22736	6.5
639.28381	3.3
643.24799	1.2
666.28149	0.7
675.26782	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.2162
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01769	1.3
57.03328	2.2
58.00492	0.8
59.01266	30.3
60.34563	0.6
61.98724	1.2
69.03342	1.7
71.01271	43.3
71.58015	1.1
72.99198	2.1
73.02836	16.9
75.00753	0.9
78.95812	0.9
81.03350	1.2
83.01274	7.7
83.02396	0.9
85.02840	21.6
87.00768	5.9
89.02339	10.7
93.03366	0.8
95.01279	4.4
96.95900	2.7
97.02863	2.5
99.00774	16.2
99.04444	0.8
101.02345	24.8
102.02651	0.7
109.02863	1.1
111.00786	1.3
113.02357	25.5
114.02698	1.0
116.92775	1.7
117.03281	0.7
119.03471	3.1
119.04884	0.9
123.04427	1.2
124.37905	0.5
125.02354	7.5
127.03957	0.9
131.03439	2.5
131.04950	1.0
132.05763	1.0
133.02896	2.5
133.06520	100.0
134.06844	4.4
135.04459	4.0
137.02351	1.9
139.03954	0.8
143.03432	9.4
145.02899	2.4
149.02373	0.9
149.04472	1.7
149.06041	1.7
150.03166	1.3
159.02934	2.1
161.02440	6.3
161.04495	18.3
162.02721	1.0
163.03934	1.1
167.03455	1.6
177.01852	1.2
179.03404	1.7
179.05554	1.7
191.05659	0.9
203.05563	1.3
211.07625	0.7
219.05048	0.9
221.06685	0.8
229.08588	1.0
229.60297	0.6
255.03149	0.7
271.02618	0.7
271.61124	0.6
275.07800	0.9
281.45142	0.7
295.11865	2.3
305.08838	7.6
323.09872	6.5
331.28189	0.9
365.10919	8.6
392.12308	1.3
427.16174	49.1
428.16479	4.8
439.16055	2.4
457.17172	1.4
469.17377	5.2
477.23795	0.8
499.17883	3.2
513.19592	0.7
553.19391	1.4
571.20447	13.7
572.20874	1.4
589.21521	38.9
590.21948	5.7
631.22565	31.8
632.22736	6.5
639.28381	3.3
643.24799	1.2
666.28149	0.7
675.26782	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.3456
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01763	0.2
55.31894	0.1
58.00484	0.1
59.01263	2.0
59.93627	0.1
69.03320	0.2
70.74526	0.1
70.74866	0.3
71.01270	2.3
71.04913	0.2
73.02821	0.4
74.98995	0.2
80.02570	1.0
81.03355	1.1
83.01275	0.2
83.04913	4.6
84.02074	0.7
85.02863	0.5
87.00778	0.3
89.02332	1.3
93.03365	0.2
94.18854	0.1
95.01297	0.2
95.04939	0.7
97.02906	0.2
97.06503	0.3
101.02341	1.8
107.04924	0.2
109.06496	0.2
113.02357	0.9
119.03439	0.3
123.08042	0.2
125.02361	0.1
125.05991	0.4
125.09605	0.3
127.11219	0.1
133.02873	0.1
135.08083	0.6
139.07498	0.3
143.03508	0.2
147.11742	0.2
149.09628	0.2
161.02382	0.3
161.04488	0.8
163.11234	3.5
164.11540	0.2
165.12808	2.5
165.14110	0.3
166.13109	0.1
171.10245	1.7
173.09654	0.2
177.09332	0.1
179.03618	0.1
179.05569	0.2
181.12338	0.4
191.10742	0.9
199.13336	0.2
207.10211	0.2
209.11819	100.0
210.12161	6.5
210.14238	0.2
213.91492	0.1
221.11702	0.3
227.12895	14.0
228.13164	0.9
235.08241	1.4
247.13469	1.1
248.13791	0.1
249.15018	0.2
253.09337	5.5
254.09576	0.3
265.14496	0.3
323.66885	0.1
375.21704	0.2
401.23529	0.2
419.24503	0.3
445.20892	0.9
463.21814	0.2
611.30939	0.2
629.31769	0.2
637.32391	0.7
655.33014	0.2
656.32990	0.1
673.34454	0.2
703.81598	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.3453
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	0.2
57.03338	0.2
58.63729	0.1
59.01266	2.4
61.98711	0.6
69.03347	0.1
71.01267	2.4
71.04912	0.2
71.49464	0.2
71.55511	0.1
72.99171	0.2
73.02831	0.5
74.98981	0.2
75.00762	0.1
80.02558	1.1
81.03340	1.1
83.01273	0.6
83.04915	4.3
84.02052	0.8
84.05253	0.1
85.02843	0.7
87.00784	0.4
89.02345	1.4
90.13891	0.1
93.03358	0.3
95.01292	0.3
95.04923	0.6
96.95907	0.3
97.02861	0.1
97.06486	0.2
99.00793	0.1
101.02340	1.8
109.06503	0.3
111.08074	0.1
113.02335	1.1
114.75988	0.1
119.03413	0.4
121.02885	0.2
125.02336	0.2
125.05988	0.6
125.09624	0.4
135.04411	0.1
135.08075	0.7
137.06006	0.3
139.07581	0.4
141.01654	0.2
143.03500	0.1
145.02843	0.2
145.04961	0.2
147.11774	0.2
149.09660	0.2
161.02382	0.6
161.04480	0.7
162.06816	0.3
163.11232	3.3
165.12794	2.3
171.10225	1.9
177.09167	0.5
179.03459	0.2
179.05466	0.2
181.12318	0.6
191.10730	0.7
199.13312	0.2
207.10237	0.2
209.11816	100.0
210.12158	6.5
210.14230	0.2
221.11844	0.4
223.13513	0.2
227.12886	13.6
228.13220	0.9
235.08237	1.3
247.13435	1.0
253.09315	5.6
254.09715	0.4
265.14487	0.3
401.23267	0.3
419.24408	0.2
426.16733	0.1
445.20871	0.8
446.21091	0.2
446.82645	0.1
463.21884	0.2
487.32825	0.2
611.31451	0.2
637.31909	0.7
655.32599	0.3
673.41327	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.2728
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06214	0.1
52.43634	0.1
55.01768	0.2
57.03330	0.2
59.01268	0.7
69.73429	0.8
71.01271	3.6
72.99139	0.2
73.02845	1.1
83.01285	0.3
85.02837	1.5
89.02338	0.4
91.05446	1.2
92.30603	0.2
93.03344	0.2
95.01290	0.3
97.02849	0.2
99.00794	0.7
101.02373	2.3
101.03872	5.6
102.04145	0.2
109.02912	0.2
113.02364	1.6
117.03391	2.8
119.04946	100.0
120.05276	4.6
122.02206	0.2
123.04476	0.2
125.02351	0.2
133.02852	0.2
135.04407	0.7
137.02333	0.3
143.03419	0.2
145.02892	0.2
159.02927	0.5
161.02357	0.6
161.04514	3.5
163.03961	5.6
165.01857	0.2
180.34508	0.1
209.04634	0.2
244.16861	0.2
325.09357	39.9
326.09714	2.7
349.98401	0.2
461.17184	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.2886
Annotation	Unknow
Peak:m/z	Relative Intensity
55.04722	1.9
59.01257	10.3
61.98712	7.6
62.91832	2.1
67.63037	1.9
71.01270	5.3
71.59220	3.3
74.98992	4.8
76.98562	5.2
80.04950	6.4
80.22050	2.1
85.02863	2.6
89.02357	5.2
94.06538	2.4
96.95901	2.4
101.02358	5.7
104.04995	2.4
106.06528	3.4
106.89694	1.7
107.03699	5.7
109.02874	1.7
113.02363	2.0
119.03444	2.1
119.04951	5.3
122.06040	49.6
125.01273	1.9
125.02336	2.1
133.02887	6.3
134.03659	1.7
134.06042	13.6
135.04506	4.5
136.07631	3.0
137.02432	3.2
139.02721	2.7
139.07590	2.6
148.03973	2.4
149.06038	3.3
150.06795	2.9
152.07108	55.4
160.04056	2.2
160.06367	2.7
161.02383	17.2
163.03926	10.2
166.05003	2.7
174.05553	2.8
177.09247	2.4
179.03441	3.6
180.06685	2.0
188.07170	6.6
199.13374	3.9
199.49886	1.7
209.11874	21.2
213.10353	11.2
225.10204	3.3
227.12987	13.9
235.08443	2.4
237.10272	3.8
239.11960	9.5
241.13567	5.9
245.13020	7.6
249.10660	2.4
250.07512	4.4
251.08334	3.4
251.11887	3.2
252.08963	2.9
253.09712	7.7
263.08322	2.3
265.09827	7.4
267.11432	5.7
277.09772	3.5
278.06940	3.2
279.07825	6.2
279.11191	2.6
285.04086	2.1
285.12482	24.7
293.09354	16.2
293.13028	6.3
294.10028	5.8
295.10950	15.7
307.10861	5.3
309.12479	3.5
313.11838	2.8
323.10434	7.0
330.01962	2.5
337.08279	8.1
339.10123	3.3
358.15646	8.8
392.12088	8.2
392.62546	7.3
400.16882	10.7
412.16431	3.3
432.19611	3.7
444.16153	2.5
458.17224	2.9
459.17606	3.8
460.18970	6.5
462.16733	2.3
474.20105	3.7
476.18027	3.6
486.16669	3.2
503.16992	5.4
504.18097	14.7
518.19403	16.1
519.19995	2.8
523.23724	3.1
536.20734	4.3
550.22064	14.5
551.21954	3.0
565.24670	53.7
566.25256	11.5
597.27246	7.9
609.23779	30.9
610.23914	6.7
641.26306	100.0
642.26691	26.8
672.40515	3.5
673.28705	28.2
673.40503	10.0
674.28998	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	672.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	0.5
61.98717	100.0
62.98433	0.1
65.27602	0.1
70.96178	0.1
70.97933	0.1
71.01279	0.5
71.57878	0.1
73.02850	0.2
79.64384	0.1
80.57099	0.1
82.31228	0.1
83.13620	0.1
85.02867	0.2
89.02344	0.2
93.40035	0.1
101.02379	0.3
113.02370	0.2
135.04477	0.3
146.85728	0.1
149.06094	0.2
161.02408	0.5
161.04517	0.2
258.85709	0.1
259.06284	0.1
267.34326	0.1
287.05774	0.1
304.27469	0.1
328.07529	0.1
433.67270	0.1
447.22620	0.1
449.90683	0.1
480.24506	0.1
543.26685	0.1
609.27618	0.9
610.27966	0.2
611.28735	0.3
612.28156	0.5
672.27893	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.2742
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03348	0.1
59.01260	1.0
61.98717	100.0
62.98414	0.1
71.01269	0.8
72.04766	0.1
73.02840	0.2
74.98981	0.2
78.89239	0.1
80.12144	0.1
83.01277	0.1
85.02868	0.2
87.00803	0.2
88.98716	0.1
89.02330	0.6
90.02705	0.1
95.01330	0.1
96.95983	0.1
101.02370	0.6
103.02787	0.1
107.03636	0.1
109.02893	0.1
109.06532	0.1
113.02379	0.4
119.03443	0.2
119.04932	0.1
121.02798	0.1
122.06041	0.3
125.02319	0.1
133.02895	0.4
134.03702	0.1
135.04453	0.4
136.05186	0.2
137.02328	0.1
142.96790	0.1
145.02882	0.1
149.06055	0.3
152.07106	0.4
161.02396	1.0
161.04439	0.2
163.03931	0.1
167.03436	0.2
179.03497	0.3
180.50366	0.1
191.05557	0.1
201.11249	0.1
203.03568	0.1
207.10298	0.1
209.11818	0.2
229.32375	0.1
300.02798	0.1
447.22433	0.1
448.22916	0.2
449.22980	0.2
478.23935	0.1
479.24152	0.2
480.24493	0.2
592.20923	0.1
597.23889	0.4
609.27856	0.4
610.28961	0.1
611.28497	0.3
612.28357	0.8
624.21362	0.1
629.26904	0.3
641.22211	0.2
671.37091	0.3
672.26300	0.1
672.36609	0.3
673.25323	0.4
673.37878	0.2
697.79205	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	672.1433
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12312	1.1
57.73055	1.2
61.98713	4.2
98.20600	1.8
107.01298	2.1
109.02863	1.9
115.38993	1.2
121.02821	2.0
133.02924	1.7
151.00308	8.9
158.32237	1.2
161.02335	3.5
162.02638	1.8
163.00334	2.3
178.99814	6.5
193.07433	1.2
194.00888	1.9
227.03426	1.5
243.03059	6.6
245.04613	1.2
255.03036	15.4
271.02536	34.7
271.05521	1.7
272.02841	2.8
300.02811	86.8
301.03522	39.3
337.87891	1.5
351.61716	1.5
364.57458	1.4
548.43591	1.4
609.14661	100.0
610.15051	14.3
650.37360	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.4033
Annotation	Guineamide D
Peak:m/z	Relative Intensity
50.45134	0.3
51.43510	0.4
57.03328	0.6
59.01265	2.6
61.98711	2.9
71.01277	3.2
71.57861	0.4
73.02808	0.4
74.98988	12.0
75.00790	0.4
75.76701	0.4
78.95791	0.7
80.96405	0.4
81.03389	0.5
83.04913	0.7
85.02835	1.1
87.00764	1.0
89.02318	1.2
93.03400	0.4
95.01288	0.7
96.95895	0.4
97.02814	0.5
99.04430	0.8
101.02360	1.4
109.02843	0.5
109.06502	0.9
111.04434	0.5
113.02357	1.1
113.06013	0.5
115.40394	0.4
119.03468	0.4
119.04920	0.5
121.02892	0.7
123.00823	0.4
123.04488	0.5
127.11211	0.4
133.02881	1.4
135.04437	1.7
135.08064	0.7
136.01692	0.4
136.05205	0.7
137.06001	0.4
137.09625	0.7
143.03453	0.4
145.02910	0.4
149.06024	4.8
150.06805	37.5
151.03906	1.4
151.07246	1.4
153.01814	0.5
155.10748	0.6
161.02394	4.1
161.09598	0.6
162.03018	0.6
162.06850	0.5
163.03998	0.7
163.07593	9.6
163.11224	1.0
164.04761	1.1
164.08385	4.1
165.05315	0.4
166.02650	1.1
168.04259	0.4
171.10216	0.6
176.01114	0.4
176.08369	1.5
177.05533	1.3
177.09114	0.9
178.09950	3.1
179.03499	1.7
179.07179	1.7
179.10738	11.6
180.11134	0.7
181.05009	1.1
192.04245	0.7
193.05019	0.9
193.08789	0.6
194.05859	0.5
207.06575	1.7
207.10246	2.5
209.08246	1.6
209.11812	7.2
210.12071	0.5
211.13385	0.5
223.06085	0.8
225.11336	6.2
226.11534	0.5
227.12878	1.0
235.08206	0.5
253.09332	0.8
265.21725	0.5
285.20868	0.4
327.21872	0.5
327.25378	1.2
328.25717	0.4
329.23367	5.0
386.13727	3.0
387.14444	1.0
392.12436	0.8
416.14981	1.6
417.15555	0.9
430.31009	0.7
443.19504	0.6
445.33621	1.0
448.32077	7.3
449.32474	1.2
461.20294	1.0
462.33743	1.3
463.34344	12.5
464.35049	1.9
476.31552	0.4
490.33090	1.7
491.33865	2.9
498.95929	0.4
508.34207	3.7
509.34918	28.6
510.35138	3.9
510.41776	0.5
535.19965	0.4
565.20959	1.1
595.22150	0.5
653.31732	1.0
671.40332	100.0
672.40674	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	671.3297
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88963	0.4
55.01768	0.8
57.03348	0.6
59.01264	14.3
62.68976	0.4
69.03336	0.5
69.57739	0.8
69.58141	3.0
71.01269	5.6
71.04871	0.5
73.02835	1.1
73.83098	0.4
80.02560	2.3
81.03354	3.9
83.01289	1.2
83.04922	7.3
84.02070	1.1
85.02840	1.4
87.00764	1.4
89.02349	3.9
93.03377	1.3
95.01296	0.5
95.04926	1.1
96.95970	0.4
97.02855	6.4
97.06504	0.7
99.00784	1.4
101.02341	6.0
107.04952	0.9
109.06502	24.9
110.03663	1.1
110.06831	0.9
113.02377	2.4
119.03452	0.9
121.06512	2.0
121.22995	0.6
123.04426	0.6
123.08087	1.1
125.05984	0.8
125.09617	2.9
134.03690	0.5
135.04410	0.5
135.08089	3.8
136.05209	1.4
141.01649	3.2
142.02667	2.1
145.02910	0.7
145.10150	0.8
149.09700	0.5
161.02472	0.6
161.04497	1.9
161.09691	2.2
163.11240	18.7
164.11555	1.3
165.12814	2.8
171.10205	2.9
177.12811	0.6
179.05530	0.8
179.10721	0.9
181.12299	4.4
185.11819	2.7
189.09167	1.9
191.10786	1.8
201.11235	1.0
203.10754	0.6
207.10260	72.0
208.10602	3.3
209.11823	100.0
210.12152	6.5
211.13426	1.1
217.12285	0.8
221.11812	1.2
223.13422	1.7
225.11334	32.9
226.11659	2.1
227.12889	12.5
231.10278	1.1
235.08224	3.6
235.98997	0.5
243.12332	0.7
245.11807	0.8
247.13435	1.5
249.11287	1.4
253.09340	11.1
254.09546	1.0
254.63545	0.5
263.12970	1.5
265.14526	0.8
281.13995	0.6
299.15070	1.4
355.22888	0.6
365.60165	0.6
373.23929	1.5
381.20798	0.8
389.23431	0.9
399.21732	5.4
417.22949	5.5
443.19247	2.8
445.21002	1.5
461.20383	11.2
462.20499	1.1
485.20374	0.9
625.32562	0.6
627.30023	0.8
635.31024	12.2
636.31201	2.5
653.31830	13.8
654.32428	2.8
671.33002	29.2
672.33276	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	671.3296
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	15.2
61.98694	5.2
71.01281	9.7
71.58887	1.5
71.59253	1.2
73.02827	2.0
74.98977	1.9
80.02574	2.3
81.03345	4.4
83.01243	1.7
83.04919	7.4
83.51081	1.0
84.02052	1.4
85.02847	3.9
87.00771	2.4
89.02332	6.2
93.03374	1.3
95.04915	1.3
96.95919	4.6
97.02853	7.1
99.00771	1.4
99.37457	1.1
101.02346	7.4
109.06496	22.5
113.02341	5.5
119.03407	1.3
119.04939	4.2
125.09624	2.5
133.02892	1.7
135.04404	4.7
135.08051	4.2
136.05180	1.4
155.75841	1.2
161.02377	4.8
161.04488	2.2
163.03926	5.5
163.11229	19.5
165.12740	3.0
171.10211	3.2
173.19278	1.2
177.09187	1.4
179.03426	3.8
181.12296	3.8
185.11815	3.0
189.09077	1.6
191.10788	1.4
207.10257	62.3
208.10590	2.7
209.11812	100.0
210.12233	6.1
211.13388	1.9
225.11325	33.4
226.11665	2.2
227.12888	13.6
231.10245	1.8
235.08278	4.2
247.13205	1.4
253.09337	10.7
322.93222	1.3
329.13876	4.6
343.64362	1.3
399.21671	6.4
417.22708	5.3
435.23996	1.5
443.19452	3.5
444.89325	1.7
449.32928	3.0
461.20358	12.3
629.37061	1.9
635.31146	10.6
636.30890	1.4
653.31750	14.4
654.31995	1.8
670.72626	1.4
671.32800	28.7
672.33466	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	671.1856
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51268	1.3
59.01265	27.2
61.47579	1.3
64.66635	1.3
65.00208	1.7
65.03833	2.7
67.01799	1.3
69.03327	1.5
71.01273	18.4
71.58042	2.0
72.99197	16.2
73.02832	6.0
77.03850	2.3
81.03353	3.5
83.01286	1.9
85.02840	7.3
86.00000	1.6
87.00770	6.9
87.04411	2.6
89.02346	14.5
93.03361	10.6
95.01281	1.8
95.04915	3.2
97.02843	2.8
99.00775	2.4
101.02351	16.0
109.02869	14.7
111.00806	2.4
111.04443	2.1
113.02364	8.6
115.03913	4.0
117.03391	2.1
119.01281	2.0
119.03440	10.1
121.02875	15.5
123.00807	2.0
123.04459	12.0
124.01538	1.4
125.02380	9.1
131.03418	3.7
133.02876	35.6
135.00798	4.8
135.04457	62.6
136.04788	3.0
136.15430	1.5
136.40294	1.4
137.02382	27.3
139.00240	1.7
139.03932	6.6
143.03409	5.8
145.02856	2.8
145.04996	2.1
147.00826	2.2
149.02397	13.2
150.03110	4.2
151.03947	10.5
153.01875	23.4
153.05482	2.7
161.02396	100.0
162.02724	4.4
163.00330	6.5
163.06052	3.8
165.01895	15.8
167.03416	5.4
177.01898	24.3
179.03473	34.3
180.03690	2.2
181.01337	3.8
183.02997	2.1
190.99825	13.1
192.00430	1.8
193.01390	23.1
194.01825	3.1
195.02943	3.2
203.03571	1.7
205.07120	3.8
209.00943	12.8
315.10907	13.4
379.07523	1.6
443.15689	3.5
461.16782	53.3
462.16968	3.8
463.74570	1.4
465.16077	4.0
475.15509	1.6
477.16135	6.4
487.14807	7.0
493.15091	2.1
530.82806	1.6
581.18909	2.9
583.20996	1.9
597.18353	4.9
599.19843	6.1
609.18378	4.5
623.20459	2.2
625.17590	3.5
627.19415	26.7
628.19708	5.5
643.19446	1.9
653.17542	6.8
671.18188	16.5
672.19061	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	670.2004
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70169	0.1
56.81763	0.1
59.01262	1.3
61.98716	100.0
62.98409	0.2
64.09412	0.1
69.67834	0.1
71.01273	0.9
73.02863	0.2
85.02833	0.3
87.00784	0.3
89.02335	0.7
99.16519	0.1
101.02361	0.8
109.02858	0.2
113.02351	0.5
115.03946	0.2
117.03370	4.2
118.03692	0.1
119.03434	0.6
119.04939	0.7
121.02885	0.2
123.00815	0.1
123.04462	0.2
125.02397	0.3
131.03412	0.2
133.02875	0.8
135.04440	2.8
137.02304	0.2
145.02888	15.9
146.03217	0.8
146.08176	0.2
149.02396	0.2
150.01918	0.1
150.03102	0.2
151.03955	0.2
153.01915	0.2
161.02399	2.8
163.03964	0.8
177.01913	0.4
179.03485	0.5
193.01445	0.2
194.00890	1.4
205.07246	0.2
231.49957	0.1
249.07726	0.2
277.12213	0.2
315.10980	1.2
344.04327	0.2
384.41199	0.2
407.95395	0.2
443.15878	0.2
461.16763	3.1
462.17444	0.3
487.14676	0.4
488.15222	0.2
516.29065	0.2
607.20477	17.1
608.20813	2.6
652.17310	0.2
670.19196	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.1632
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70816	0.3
52.63445	0.3
57.46067	0.3
59.01262	0.9
65.03848	0.3
70.58939	0.8
71.01266	0.5
72.99178	0.4
73.02839	1.7
78.12930	0.3
81.03362	0.8
83.04913	2.0
91.05424	0.4
93.03358	11.9
96.95940	0.5
99.00744	0.6
99.04416	0.7
101.17666	0.3
107.04929	1.1
109.02859	0.9
111.04439	3.9
113.88354	0.3
117.03391	0.4
121.02852	0.6
123.04455	0.4
133.02888	6.5
134.03696	3.9
135.04451	100.0
136.04785	4.9
137.02371	6.0
143.03409	0.4
147.48975	0.3
149.02432	0.4
155.03438	2.2
161.02394	27.2
162.02707	1.4
168.49263	0.3
173.04503	2.0
177.05420	0.3
178.90901	0.3
179.03464	87.0
180.03812	4.3
180.05368	0.5
193.01437	0.4
291.09039	0.3
335.07797	94.8
336.08133	8.2
401.98389	0.3
439.70169	0.3
466.95529	0.3
490.78235	0.3
609.49615	0.4
638.07849	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	670.2008
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01271	7.9
61.98720	46.0
64.01804	1.8
65.99738	1.2
71.01276	5.3
73.02853	1.4
83.01235	0.8
85.02861	1.9
89.02336	3.6
92.70247	0.7
96.95892	1.1
101.02331	2.5
113.02343	1.8
117.03397	1.4
119.03381	1.3
119.04924	0.8
123.04402	0.9
131.03484	0.9
132.02150	1.0
133.02890	29.4
134.03250	1.7
135.04482	6.7
143.03426	1.0
145.02881	1.6
145.48615	0.7
150.01956	1.1
150.03131	0.9
161.02394	100.0
162.02806	5.4
177.01855	1.6
177.05605	1.1
179.03493	5.8
180.03760	1.4
203.03610	0.9
212.23021	0.8
317.30353	0.8
461.14926	0.9
607.20465	95.8
608.20898	16.1
623.18878	1.5
670.19012	15.1
671.19824	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	670.2008
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01264	2.4
61.98716	100.0
64.01820	0.7
65.99717	0.3
69.27959	3.2
69.28365	0.4
71.01260	1.8
73.02821	0.4
85.02875	0.6
89.02343	0.6
98.20596	0.7
101.02367	1.4
107.01360	0.4
113.02323	0.7
117.03380	3.5
119.03462	0.5
119.04980	0.6
123.00836	0.4
125.66396	0.4
133.02887	1.2
135.04430	3.3
142.08905	0.3
142.57826	0.3
145.02887	16.1
146.03252	0.4
149.02411	0.3
150.01926	0.5
150.03172	0.5
161.02397	3.3
163.04031	0.8
177.01936	0.7
179.03474	0.7
206.00894	0.4
249.07809	0.3
315.11044	0.9
434.45737	0.4
461.16812	2.8
483.40475	0.3
542.07727	0.4
607.20465	19.8
608.20801	3.1
670.19244	4.5
671.20282	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	670.2008
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	0.2
58.00484	0.3
59.01267	5.8
59.22710	0.1
61.98718	20.7
62.21576	0.1
64.01830	0.4
69.03346	0.2
71.01270	2.8
72.99185	0.4
73.02851	0.7
73.79196	0.1
75.00784	0.2
77.03876	0.2
83.01283	0.3
85.02845	1.2
87.00783	0.8
87.04453	0.2
87.89245	0.1
89.02342	3.0
92.69336	0.2
95.01311	0.4
95.04933	0.2
97.02863	0.1
98.20566	0.4
99.00784	0.2
101.02347	2.4
103.03902	0.2
105.03391	0.7
107.04956	0.2
107.05722	0.2
109.02863	0.2
113.02371	1.4
115.03939	0.5
117.03384	1.0
119.03431	1.3
119.04941	2.3
120.05272	0.2
121.02868	0.2
123.04440	0.5
125.02347	0.2
131.03424	0.4
132.02126	1.7
133.02884	34.3
134.03276	1.2
135.04449	11.1
136.04785	0.6
137.02379	0.5
137.05984	0.6
143.03436	0.8
145.02951	0.1
149.02351	0.1
149.06017	0.2
150.03117	0.3
156.45862	0.2
161.02394	100.0
162.02748	4.3
163.03970	0.3
163.06053	0.6
177.01938	0.3
179.03459	5.1
180.03764	0.4
193.01430	0.2
193.60895	0.1
194.46556	0.1
203.03496	0.2
205.07216	0.3
220.19356	0.1
274.62515	0.2
281.06732	0.2
284.09732	0.2
299.11395	0.3
350.36267	0.2
445.17087	0.3
451.14923	0.2
487.14597	0.2
607.20465	60.2
608.20837	8.7
634.28693	0.2
670.19092	1.4
671.20026	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.148
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01276	1.6
63.02294	1.5
65.00224	1.4
65.78665	0.5
69.35962	1.3
69.36368	3.7
70.40913	0.5
71.01279	0.7
72.99226	0.5
73.02861	0.7
73.73718	0.4
83.01291	0.8
85.02866	1.9
87.00808	0.5
93.03363	0.7
96.95967	0.6
98.19797	0.9
99.44003	0.4
99.64769	0.5
101.02380	0.8
107.01280	2.5
108.02103	2.2
109.02869	1.4
113.02384	0.7
119.01310	0.6
121.02872	2.3
127.03912	0.5
133.02917	1.6
134.78638	0.5
135.00827	1.4
135.04474	2.8
145.02911	0.6
148.01648	1.4
149.02426	0.8
149.08203	0.5
150.03218	1.5
151.00320	13.4
153.01939	0.6
159.04523	0.8
161.02408	4.8
163.00320	2.9
166.02681	1.4
169.01515	0.9
175.00339	0.7
175.03920	0.8
176.01143	1.0
177.01941	0.5
177.05553	0.5
178.99838	6.8
179.03503	1.6
181.05006	3.6
190.02725	0.9
190.99837	0.8
191.03564	1.9
191.05580	17.4
199.04021	0.9
203.03494	2.6
205.05110	0.9
209.04587	0.6
211.04042	0.9
215.03461	0.9
218.05865	1.2
226.02696	1.8
227.03487	3.3
229.05139	0.8
233.08209	2.1
243.00536	0.6
243.03023	9.9
244.03653	0.9
245.04617	2.0
254.02356	2.5
255.03029	24.9
256.03473	1.8
271.02542	57.7
272.03052	6.4
273.04099	1.7
283.02588	1.2
299.01999	3.8
300.02820	100.0
301.03531	45.8
301.08643	0.7
302.04028	2.3
311.38000	0.5
314.04495	1.8
315.05167	4.2
353.08917	2.2
357.09918	0.5
415.14044	1.1
447.16727	4.2
463.08957	42.8
464.09286	4.6
477.10742	4.4
506.14993	0.6
507.14984	0.6
622.18683	0.7
668.18506	0.9
669.14709	67.9
670.15082	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	669.2995
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53276	0.7
55.01765	1.9
57.03333	2.4
58.00474	2.4
59.01267	55.8
71.01273	48.3
71.05843	1.5
72.99194	2.5
73.02844	4.7
74.98494	0.8
83.01286	6.4
85.02343	1.5
85.02847	21.2
87.00774	2.7
89.02340	45.5
95.01291	5.6
97.02852	1.5
99.00805	4.8
101.02348	28.7
113.02363	33.9
119.03425	13.8
122.08893	0.9
125.02371	2.9
127.22711	0.8
131.03421	8.5
135.04485	1.5
137.30170	0.7
143.03435	5.6
149.04480	6.9
161.02463	4.2
161.04478	11.0
179.05595	8.0
189.87300	0.8
191.05614	6.7
219.70175	0.7
233.06685	10.4
254.86211	0.8
315.18106	1.2
366.09344	1.0
447.16129	0.8
447.22473	33.7
448.22864	3.4
477.23541	38.2
478.24011	4.4
489.23132	0.8
609.27783	100.0
610.28125	16.4
669.18793	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.3872
Annotation	Ajugasalicioside F
Peak:m/z	Relative Intensity
50.29886	0.3
57.03317	1.2
59.01263	2.4
61.98704	1.1
71.01262	1.8
71.17376	0.4
71.28014	0.8
72.99215	0.4
73.02817	1.0
83.01301	0.6
85.02834	1.3
87.00773	0.6
89.02322	1.5
96.95901	0.6
99.04427	0.5
101.02319	1.3
108.81328	0.4
109.06448	0.4
111.08064	0.7
113.02340	0.6
113.06023	0.5
125.02371	2.5
133.02850	0.9
135.04440	1.4
135.08037	0.7
137.05916	0.5
137.58899	0.4
149.02339	0.4
149.06012	5.9
150.06810	43.8
151.00282	0.7
151.03874	0.4
151.07254	1.8
153.09196	0.6
155.10660	0.6
157.08598	0.8
161.02414	2.6
161.09630	0.4
162.06831	0.6
163.07600	9.8
164.08391	6.2
169.12268	0.9
171.10167	0.5
175.03871	0.4
176.08392	1.8
177.09116	0.9
178.09981	3.7
179.03343	0.8
179.10751	14.8
180.11105	0.5
186.42271	0.4
215.88756	0.4
263.20120	0.8
275.05695	0.4
279.23306	1.0
281.21136	0.8
283.19144	0.4
285.04016	1.1
303.05148	1.6
325.23871	0.9
327.21817	5.8
328.22165	0.5
383.90244	0.4
385.40436	0.4
392.12195	0.5
428.29111	1.3
443.31848	1.0
444.32391	0.8
446.30490	9.6
447.30725	1.0
460.32001	1.3
461.26624	0.8
461.32785	11.0
462.33179	1.4
488.31543	1.6
489.32462	3.1
506.32645	3.4
507.33331	30.7
508.33630	5.2
669.38708	100.0
670.39069	19.7
677.27997	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	668.185
Annotation	Unknow
Peak:m/z	Relative Intensity
55.91914	1.3
59.01266	14.9
64.01809	1.9
71.01277	8.9
71.33598	2.9
72.99193	1.2
73.02833	6.5
73.71136	1.1
83.01275	1.4
85.02837	4.4
87.00791	6.7
87.04407	2.5
89.02341	5.0
101.02354	7.8
103.03872	2.1
113.02350	4.5
115.03915	4.9
119.03383	1.6
122.02364	3.5
122.03661	1.7
131.03438	8.6
133.02867	5.1
134.02383	6.7
135.04440	14.1
136.35422	1.3
143.03438	10.3
147.75409	1.2
149.02380	1.8
149.06078	2.5
150.01959	4.8
150.03151	36.0
161.02383	23.7
162.01869	6.7
164.03439	1.7
175.04015	1.4
177.05548	8.8
179.03455	21.6
180.02869	8.7
205.07195	4.8
221.04547	14.4
223.44904	1.5
233.04607	1.6
281.06650	9.4
335.23062	1.4
360.09464	3.7
363.78195	1.4
487.14713	5.2
506.15274	67.2
507.15506	7.1
570.87067	1.4
586.22235	1.8
621.11096	1.3
621.18817	12.3
622.19086	2.1
631.50311	1.7
668.18512	100.0
669.18976	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	668.1848
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32431	0.4
59.01265	4.9
62.73569	0.5
64.01817	0.8
65.99740	0.6
70.34689	1.0
70.35081	1.0
71.01269	2.2
72.99186	0.4
73.02833	2.7
85.02848	1.6
87.00766	2.1
87.04397	1.0
89.02346	1.3
94.02885	0.6
101.02353	2.3
103.03889	0.4
109.02872	1.1
113.02361	1.3
115.03911	1.0
121.02847	0.7
122.02417	0.5
122.03656	1.3
125.02331	0.4
131.03441	1.4
131.48775	0.4
132.02124	0.7
133.02885	11.8
134.02397	1.7
134.03622	1.6
135.04462	13.3
143.03456	2.0
145.04968	0.5
149.02448	0.5
149.06004	1.0
150.01979	1.0
150.03166	12.7
161.02399	34.2
162.01720	1.0
162.02890	0.9
164.03438	0.7
175.03990	1.1
177.05392	2.3
179.03468	15.1
180.02852	2.4
189.43694	0.5
198.04066	1.0
203.03496	6.1
205.07112	0.9
221.04526	1.9
259.45050	0.6
281.06662	2.1
316.76437	0.4
360.09381	0.6
360.71552	0.5
487.14673	4.6
488.14664	1.3
506.15298	11.0
507.15759	0.7
532.13354	1.1
621.18451	16.3
622.18921	2.7
633.32007	0.5
668.18500	100.0
669.18890	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	668.185
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01767	0.6
56.02413	0.4
57.03342	0.9
59.01266	13.9
60.28725	0.4
61.98716	1.7
64.01802	2.4
65.99739	2.6
71.01270	8.5
72.99194	1.4
73.02835	6.3
75.00768	0.8
81.03332	0.8
81.83845	0.4
83.01298	1.1
85.02843	6.0
86.00007	1.3
87.00772	6.2
87.04409	2.7
89.02348	3.5
94.02878	0.8
95.01293	1.6
95.04808	0.4
95.40800	0.4
96.95917	0.9
97.02845	0.7
99.00765	0.6
101.02348	6.6
103.03928	1.9
105.03357	0.7
106.02881	0.8
107.01299	0.5
107.04943	0.8
109.02879	2.1
111.00791	0.8
113.02351	5.0
115.03927	4.2
117.03375	0.9
118.02912	0.6
119.03443	1.2
121.02887	0.7
122.02419	1.6
122.03658	2.9
123.03193	0.7
123.04469	0.8
125.02380	1.1
131.03416	5.5
132.02103	1.8
133.02885	24.6
133.92641	0.4
134.02434	3.6
134.03619	3.3
135.04449	34.7
136.04802	2.0
137.02330	2.3
138.03200	0.8
139.03897	0.6
143.03433	5.3
144.03767	0.4
145.02927	0.6
145.05025	1.0
147.04417	0.6
148.05264	0.5
149.02374	2.4
149.05997	2.7
150.01962	2.7
150.03160	30.5
151.03636	1.9
152.03412	0.5
161.02393	73.5
162.01897	4.7
162.02872	2.5
163.06079	0.9
164.03490	1.7
175.04004	3.2
176.01198	0.5
177.01872	1.2
177.05540	6.8
178.02696	0.8
179.03467	33.2
180.02864	6.6
181.75659	0.4
189.05602	0.5
190.01123	0.5
198.04077	1.3
203.03482	12.9
204.03763	0.9
205.05331	0.5
205.07054	2.1
221.04565	6.6
229.91455	0.6
245.04533	1.2
251.05650	0.9
257.96533	0.4
281.06735	5.0
307.08325	0.6
323.07922	0.9
360.09348	2.0
459.14673	0.7
467.12894	0.5
469.13754	0.9
487.14661	6.9
488.14722	2.1
506.15302	28.5
507.15482	3.4
621.08215	0.9
621.18445	18.5
622.18781	3.8
668.18475	100.0
669.18781	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	668.1848
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43204	0.6
54.68261	0.7
55.01773	0.7
59.01269	11.7
64.01817	1.8
65.99719	1.6
66.87569	0.7
71.01275	9.1
71.12011	1.5
72.99187	0.7
73.02839	5.9
83.01294	0.7
85.02839	3.6
85.99987	0.8
86.79849	0.6
87.00779	6.0
87.04426	2.9
89.02340	3.5
93.03407	0.7
95.01311	1.1
101.02351	4.1
105.03321	0.7
106.02888	1.0
107.04916	1.0
109.02890	1.0
113.02357	3.6
115.03923	4.6
117.03359	1.0
119.03413	0.8
121.02895	0.8
122.02399	1.8
122.03667	1.9
123.04435	1.2
131.03448	3.8
132.02078	1.3
133.02885	33.5
134.02565	3.4
134.03653	4.6
135.04454	56.1
136.04793	2.1
136.70349	0.7
137.02365	2.0
143.03444	3.9
143.97757	0.7
145.04939	1.1
149.02422	1.7
149.06044	0.8
150.01955	2.6
150.03162	32.2
151.03984	3.6
161.02394	100.0
162.01891	4.1
162.02850	3.1
164.03496	1.5
175.03923	1.2
177.05487	1.3
178.02740	1.0
179.03471	56.8
180.03072	4.8
180.04105	1.0
203.03528	5.3
204.03873	0.7
205.05209	0.8
205.07143	3.0
221.04541	1.0
233.04634	1.1
235.64265	0.7
252.65356	0.7
281.06577	0.8
323.08081	0.8
335.60428	0.8
360.09448	2.7
367.10394	1.1
459.15152	1.5
487.14557	3.2
506.15311	17.1
507.15457	2.1
570.99951	0.7
621.18439	19.3
622.18799	2.8
668.18481	76.0
669.18744	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	668.185
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00227	0.6
54.56257	0.4
58.00479	0.5
59.01265	7.0
59.82510	0.4
61.98703	0.5
63.26102	0.4
64.01808	24.0
65.00209	2.5
65.02133	0.5
65.99740	10.8
66.03369	1.7
67.01772	1.3
68.38198	0.5
69.03345	0.5
71.01263	5.3
72.99188	1.5
73.02844	2.1
74.43157	0.4
78.03338	0.6
81.03384	0.6
83.01276	1.3
85.02840	1.4
87.00755	1.7
87.42538	0.4
89.02355	3.0
90.03392	0.7
92.01320	3.2
93.03358	1.1
94.02885	6.5
95.01284	4.0
96.95927	2.2
98.19808	1.5
99.00758	0.7
101.02345	3.9
104.02586	5.0
105.02106	1.5
105.03371	0.8
106.02895	2.5
107.01296	9.0
109.02885	1.2
113.02331	1.8
116.01318	0.5
118.02903	1.0
119.03426	1.7
119.04948	0.9
120.00826	5.4
121.01598	1.1
121.02853	1.1
122.02392	9.2
122.03349	0.6
122.03677	0.6
123.00791	3.6
123.04406	2.2
125.02379	0.6
131.03404	1.6
132.00897	0.7
132.02055	0.9
133.01620	3.5
133.02866	8.7
134.02409	5.7
134.03400	0.6
135.00810	0.8
135.04451	15.7
136.00359	1.0
136.03897	1.0
136.04819	0.8
137.02338	1.1
139.03883	0.6
143.03448	1.1
145.02933	1.1
146.52650	0.5
147.00845	0.7
148.01601	3.6
149.02324	2.5
150.01895	11.0
150.03136	3.7
151.00313	0.9
151.02313	0.5
151.03914	1.7
152.03470	0.5
153.05502	1.0
160.00363	0.8
160.01546	0.5
161.01186	1.0
161.02386	21.3
162.01889	19.1
163.02417	1.3
163.03958	1.8
163.06091	0.5
163.99826	5.2
164.03445	4.4
164.04546	0.5
165.00612	3.7
165.01819	1.0
166.01442	3.1
176.01128	10.7
177.01909	8.9
177.05525	0.6
178.01373	5.2
179.03459	8.6
180.02995	1.9
190.01480	2.5
191.02240	0.6
192.02968	0.7
203.03514	0.9
205.07144	0.9
206.00940	16.4
207.01280	0.9
207.03043	0.7
208.02499	7.6
221.04401	0.5
224.01990	2.0
281.06921	0.7
315.10931	2.1
459.15289	0.8
461.16852	2.3
487.14545	0.9
518.62622	0.5
621.18439	3.5
622.19324	0.8
650.17078	0.4
651.19458	0.7
668.18463	100.0
669.18945	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	667.3067
Annotation	Unknow
Peak:m/z	Relative Intensity
54.97689	6.4
59.01277	6.8
61.98708	26.6
71.23122	7.3
71.23470	15.8
106.93764	6.9
113.55921	5.9
133.02847	11.4
161.02412	27.2
171.10229	100.0
179.03525	12.8
204.06966	6.6
211.07620	39.2
265.08713	10.8
277.21759	69.5
315.16077	7.4
331.15536	16.4
366.01233	7.2
415.16016	7.6
420.61780	7.7
593.68500	8.3
668.18378	8.7
695.17743	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	667.3067
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01268	17.2
71.57630	23.3
76.36954	13.4
77.92480	14.7
78.95754	14.8
79.34365	12.5
93.03302	16.8
112.13248	13.3
119.04935	83.4
145.02878	44.2
161.02370	24.0
163.03964	81.5
171.10213	99.1
178.67120	15.8
208.35147	13.9
211.07596	56.5
227.07190	33.1
259.86188	15.1
277.21738	100.0
299.16513	75.8
315.15936	31.8
331.15442	20.8
364.44278	13.8
367.12003	68.2
385.33008	13.4
450.42923	15.8
483.33835	15.1
587.69696	13.9
623.26971	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	668.185
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	0.8
59.01262	16.6
61.98705	3.3
64.01797	2.2
65.99723	3.0
69.58646	1.7
69.59054	3.8
71.01274	9.7
72.99185	1.9
73.02836	9.7
81.03346	0.7
83.01266	1.1
85.02857	5.5
85.99997	1.5
87.00774	8.7
87.04413	3.4
89.02336	4.3
94.02898	1.0
95.01259	1.9
97.02835	0.7
99.00745	1.2
99.04349	0.9
101.02339	6.8
103.03911	1.5
106.02847	1.1
107.04926	0.7
109.02840	1.6
113.02349	5.4
115.03897	5.0
118.02901	0.8
119.03423	1.2
121.02866	1.0
122.02332	1.3
122.03653	3.4
123.04462	1.2
125.02359	1.2
131.03419	6.1
133.02885	12.4
134.02382	5.8
134.03528	1.6
135.04445	28.1
136.01669	0.6
136.04810	1.4
137.02353	2.5
141.02040	0.6
143.03436	7.6
145.05037	1.4
148.05170	1.1
149.02393	2.4
149.06046	6.6
150.01945	3.2
150.03159	38.9
151.03806	2.7
159.02922	1.2
161.02394	36.6
162.01817	7.0
163.03969	1.0
163.06015	1.0
164.03493	1.2
175.04019	1.2
177.05544	10.1
179.03477	23.9
180.02882	5.3
198.04022	1.9
203.03487	2.7
205.05038	1.1
205.07195	3.2
221.04523	12.4
251.05592	1.7
281.06766	9.7
338.68332	0.7
360.09485	4.5
364.72556	0.8
467.12100	1.1
469.13400	1.2
487.14783	5.5
506.15268	50.0
507.15384	5.5
511.86520	0.8
583.99982	0.8
590.99762	0.8
621.18347	15.0
622.18787	2.9
668.18463	100.0
669.18872	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	667.2837
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01774	2.3
57.03337	2.6
58.00489	4.3
58.39722	0.6
59.01264	90.1
60.01610	1.0
60.13736	0.5
61.98718	1.4
65.45391	0.6
65.99724	0.7
69.03349	0.8
69.49341	3.6
69.49754	1.1
71.01270	84.4
72.01620	1.4
72.99191	5.4
73.02841	6.4
83.01283	6.5
85.02845	27.5
86.00053	0.7
87.00771	4.7
89.02337	100.0
90.02667	1.2
95.01294	8.8
97.02843	1.1
99.00785	6.9
101.02349	43.6
102.02692	1.6
113.02357	62.4
114.02695	1.4
115.03915	1.1
119.03419	14.5
125.02373	2.4
129.01866	0.9
131.03432	21.7
132.03749	1.0
133.02901	8.7
133.06494	1.0
134.03610	1.1
135.04454	8.5
137.02382	0.7
143.03448	6.0
145.02876	1.0
149.04501	74.5
149.05873	2.7
150.03171	4.9
150.04869	1.5
153.87283	0.6
161.02393	20.0
161.04510	22.4
162.02734	1.7
162.04858	1.0
163.03967	0.8
165.05545	0.8
179.02017	1.0
179.03476	6.8
179.05580	19.6
179.07144	1.2
191.05641	3.6
193.56540	0.6
195.06685	1.1
203.03525	1.7
224.42128	0.6
233.06683	97.2
234.06990	5.4
248.55385	0.6
284.03299	5.5
285.04013	4.1
285.11249	1.3
287.22299	0.8
293.08920	8.1
294.09097	0.6
299.05621	7.4
367.10724	0.8
384.62881	0.9
396.44043	0.8
445.20932	1.4
475.21979	2.0
487.14352	1.0
506.15399	2.1
537.21838	0.8
564.31256	0.9
600.76099	1.3
607.26154	10.5
608.26672	1.9
621.18378	2.8
666.78473	2.9
667.16870	1.8
667.28497	1.4
667.38898	0.9
668.18433	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	667.2623
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72781	0.7
55.01764	2.0
57.03336	1.8
58.00482	4.6
59.01263	97.5
60.01608	1.3
61.98721	1.6
64.01808	5.3
64.99723	0.7
65.00192	1.0
65.99731	2.6
69.02206	1.3
69.03342	2.6
71.00428	1.7
71.01270	45.2
72.99194	8.2
73.02834	46.2
75.00778	1.3
83.01292	2.2
83.04903	0.7
85.02839	19.8
85.99988	2.5
87.00773	16.4
87.04409	6.3
89.02339	38.8
90.02755	0.7
90.03423	0.7
95.01286	1.6
97.02845	1.1
99.04428	1.7
101.02344	79.3
102.02683	2.5
103.03908	36.7
104.02531	0.8
104.04255	1.0
107.01300	1.8
107.04893	0.8
109.02865	1.7
113.02337	5.0
115.03935	9.2
117.03367	2.1
119.03423	17.5
119.04954	3.0
120.00940	0.7
121.02905	1.5
122.02350	1.1
122.03653	0.9
123.00825	1.5
123.04448	1.8
125.02363	4.8
127.03922	3.5
131.03419	13.1
132.02066	1.2
133.01791	1.3
133.02879	20.0
133.05043	0.8
134.02411	3.0
134.03633	2.8
135.04451	41.5
137.02368	2.4
143.03432	16.5
145.02924	5.6
145.04997	12.1
146.03505	0.9
149.02408	2.0
150.01927	2.9
150.03163	14.6
151.03954	3.3
161.02390	58.4
162.01886	3.3
163.04114	5.6
163.06067	100.0
164.03441	1.7
164.06392	4.2
165.01872	0.7
175.03932	1.1
176.01097	1.3
177.01904	2.5
177.05501	1.8
179.03458	34.2
180.02959	2.1
187.03957	2.5
203.03435	4.9
205.07149	35.1
206.00955	3.0
206.07478	1.5
220.02698	0.9
224.04774	1.6
238.06346	2.3
239.10889	1.2
241.08789	1.1
253.08736	1.2
254.09583	0.9
255.10287	5.5
256.10489	0.8
264.07632	0.9
265.09515	3.7
266.05817	1.9
266.09833	1.2
267.10352	1.1
269.11816	3.1
270.12540	1.5
281.08234	1.4
282.08951	2.2
283.09830	25.6
284.10147	2.8
295.09885	3.8
296.10574	2.9
297.11215	2.0
298.12180	3.7
307.10516	0.9
309.07645	1.3
309.11093	1.0
310.08228	2.6
310.12204	1.9
311.09314	64.2
312.09573	7.2
324.10095	1.1
325.10922	8.5
326.11624	45.2
327.11978	3.3
340.12708	1.1
341.14001	66.0
342.14325	5.9
360.09293	1.1
395.75644	0.8
482.09875	0.9
487.14606	5.1
506.15430	7.0
621.08228	1.1
621.18353	19.5
628.34833	0.7
667.26978	5.1
668.18396	67.8
677.55969	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	666.1693
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	6.7
65.00201	4.6
65.99749	3.6
69.87837	6.4
69.88251	4.3
71.01262	8.4
72.33618	1.9
73.02830	4.8
83.01269	3.5
85.02822	2.7
86.08469	1.9
87.00777	3.0
87.04401	2.1
93.03354	4.4
95.01302	3.8
96.95901	3.2
101.02368	4.1
104.27368	1.9
107.01302	6.5
109.02852	14.9
119.01333	2.9
121.02864	6.4
122.60275	1.9
123.00774	5.0
123.04431	2.6
124.01575	2.7
125.02380	5.3
130.02916	2.4
131.03470	2.7
133.02870	6.4
134.02438	9.5
134.03386	1.9
135.00795	7.2
135.04451	3.4
136.01541	2.0
137.02385	18.4
137.50328	1.8
139.03926	4.3
143.03441	3.3
146.02390	2.5
147.00784	3.7
147.03175	2.1
148.01601	33.9
148.03883	2.9
149.02379	18.7
151.00305	18.2
151.03967	2.4
152.01083	4.7
153.01860	3.5
158.02423	3.8
161.02353	10.9
162.01909	22.9
163.00319	15.0
163.02634	3.7
163.03952	8.7
164.03484	14.5
165.01874	5.8
166.99785	2.9
173.06117	2.1
175.00307	8.7
175.04007	2.8
176.01207	4.1
176.03497	2.8
177.01900	66.4
178.02274	3.9
178.99852	11.2
179.03459	3.0
183.04552	2.5
186.01901	14.6
187.02391	3.2
187.03983	3.2
189.01929	3.2
190.01453	13.3
191.02013	13.5
191.03510	7.8
192.00620	3.0
199.04037	3.3
201.05623	2.3
202.01393	8.3
202.99826	16.3
203.02014	5.4
204.03004	63.0
205.01494	2.5
205.03328	2.9
206.99361	3.3
214.01402	8.2
221.00790	2.4
227.03490	5.8
230.00906	18.9
231.01471	4.5
233.04610	2.7
239.03340	4.1
241.05069	2.5
242.02374	3.2
243.03050	9.6
245.04521	2.4
247.01274	3.8
255.02972	6.7
256.03674	2.6
257.04620	3.3
267.02933	3.0
269.04514	2.9
270.01566	2.4
271.02554	22.9
272.03143	7.1
273.04010	4.5
283.02399	3.2
284.03262	5.4
285.03918	7.8
287.01910	3.3
288.02551	3.2
294.04190	11.2
295.02524	6.6
296.05927	2.5
299.02011	34.9
300.02655	11.5
301.03482	5.4
310.03571	5.8
311.04700	3.7
312.02551	4.2
312.05649	2.8
313.03613	18.2
314.03992	2.8
316.02155	12.4
317.02985	10.1
322.03635	52.2
323.03998	6.6
339.03867	32.0
340.04645	67.0
341.04904	4.0
357.04803	7.0
358.05762	6.2
463.08926	2.5
475.14999	4.4
489.12613	5.8
501.12704	21.1
502.12946	3.2
530.15222	69.4
530.23236	3.9
531.15503	8.9
556.13214	60.3
557.13849	5.7
581.15485	3.1
599.16461	3.9
608.14575	4.2
625.13995	9.5
626.14691	2.4
648.15826	80.3
649.16284	10.9
666.16846	100.0
667.16870	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	662.2106
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42595	0.5
59.01268	11.4
60.01586	0.5
61.02767	0.5
65.99734	3.1
71.01266	8.6
71.57803	0.8
71.58189	0.6
72.99192	0.9
73.02856	3.0
75.00755	0.6
83.01278	0.7
85.02845	3.0
85.99942	0.8
87.00760	3.2
87.04408	1.1
88.83193	0.6
89.02336	5.6
93.12701	0.5
99.00780	2.1
101.02348	8.1
103.03922	1.6
105.03378	0.6
109.02836	0.9
111.00867	0.6
113.02338	2.7
114.02673	0.6
115.03928	1.5
117.03381	2.1
119.03432	4.1
123.04439	2.4
125.02383	0.8
131.03462	3.0
132.02109	3.1
133.02885	35.9
134.03113	3.6
135.04451	38.4
136.04808	2.8
137.02397	0.8
137.06039	1.0
143.03427	4.0
144.04538	0.7
145.02895	9.4
147.04465	7.8
147.58173	0.5
149.06015	1.9
150.03148	0.6
153.05501	1.2
160.01585	0.9
161.02394	100.0
162.02740	15.3
163.02818	0.9
163.04068	0.7
163.06085	1.5
167.07121	2.5
172.03973	3.8
173.02406	21.7
174.02925	1.2
174.05554	11.2
175.04044	2.5
177.05569	0.5
179.03461	34.3
180.03810	1.9
193.05019	1.4
199.02774	0.8
200.03522	41.9
201.03838	2.2
203.03525	1.6
205.07129	4.1
215.03717	0.6
218.04707	1.1
220.89613	0.5
221.04410	0.6
221.45027	0.5
233.04688	0.7
249.07748	0.8
281.06659	0.7
315.10950	4.6
323.07822	2.4
354.12109	1.0
418.65854	0.6
440.67380	0.5
461.16684	5.9
462.16971	1.5
464.16638	0.6
469.13382	0.9
477.14258	1.6
487.14746	9.9
488.14954	1.6
500.17783	7.9
501.17975	1.2
595.20447	1.1
622.18964	1.4
624.20313	25.4
625.20758	3.2
626.20892	3.4
635.20264	3.1
636.19604	0.8
662.21069	98.2
663.21411	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	662.3355
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12057	0.5
54.98574	0.5
59.01270	0.6
59.59785	0.5
61.98719	100.0
70.34676	0.5
88.57862	0.5
92.01962	0.5
99.96119	0.6
106.05959	0.5
136.94124	0.7
140.90680	0.7
147.60034	0.5
186.36932	0.5
211.07637	9.3
212.07983	12.8
213.08228	5.8
214.08572	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.2163
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01783	4.2
57.03329	2.7
58.00491	3.0
59.01265	100.0
69.03340	2.1
71.01269	89.1
71.59171	4.0
72.99213	6.0
73.02835	19.5
81.64020	2.0
83.01279	16.7
85.02843	47.8
87.00783	11.0
87.19096	1.9
89.02340	76.5
95.01278	13.5
96.95903	4.9
97.02885	5.2
99.00777	7.9
101.02345	50.3
108.76954	2.4
113.02356	97.0
114.02704	3.6
119.03431	17.1
123.04470	4.0
125.02392	11.2
127.06689	2.2
131.03447	24.3
133.02873	4.4
135.04459	5.4
137.02354	2.6
143.03441	24.3
147.04462	2.1
149.02444	2.0
149.04471	27.5
151.00389	2.7
161.02405	14.6
161.04510	35.3
166.83461	2.1
167.03514	2.8
178.99823	2.5
179.03487	1.7
179.04208	2.7
179.05576	18.2
191.05579	17.4
192.92610	2.1
203.05598	2.0
216.03081	2.2
217.07111	4.9
221.06581	2.6
226.28738	1.8
233.06654	25.5
234.35861	2.0
269.79129	2.2
271.02536	2.9
293.08884	2.3
331.04544	2.4
332.42590	2.2
351.93155	2.5
415.16214	39.5
416.16702	3.0
427.16022	7.1
445.17056	14.9
487.18246	32.7
559.20599	12.3
577.13220	3.8
577.21527	44.6
578.21881	6.3
583.15131	2.3
619.22534	27.9
620.22571	4.8
643.07880	2.1
653.70612	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	662.2107
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01267	16.2
65.99734	2.7
69.60928	5.1
69.61346	2.8
71.01270	12.9
72.99176	1.4
73.02851	6.2
82.03913	1.0
85.02843	7.0
85.99986	1.1
87.00777	5.7
87.04415	1.6
89.02338	7.6
99.00775	1.8
101.02342	10.5
103.03905	3.0
109.02831	1.3
110.22267	1.1
113.02348	4.9
115.03931	3.1
117.03379	2.1
119.03405	3.5
119.04961	1.9
123.04429	2.0
125.02360	1.4
131.03409	4.2
132.02052	1.8
133.02881	32.1
134.03247	5.1
135.03423	2.4
135.04445	34.8
136.04761	3.3
137.02388	2.6
141.01900	1.3
143.03424	8.2
145.02890	9.1
146.03371	1.1
147.04477	9.6
149.06042	7.3
150.03236	1.6
153.05528	1.6
155.80061	1.2
161.02397	97.4
162.02731	21.7
163.02858	2.3
163.06039	3.3
165.05507	1.4
172.04030	2.4
173.02379	16.0
174.05548	8.0
175.04025	3.2
177.05568	9.1
179.03462	27.2
191.05461	1.3
191.07129	1.3
193.05064	4.9
200.03522	35.2
201.03882	1.6
205.07130	5.1
205.08838	1.0
221.04562	14.5
235.06123	2.8
251.05750	1.4
281.06726	14.7
315.10925	4.3
316.11304	2.4
323.07742	3.3
335.07950	1.3
336.05182	2.1
350.04050	1.4
354.12198	1.6
461.16684	7.4
462.17163	3.8
469.13580	4.4
477.14240	2.0
479.45633	1.1
487.14746	7.2
500.18091	15.2
501.17990	2.5
624.20361	48.2
625.20508	6.2
626.20703	6.7
635.19702	4.1
662.21094	100.0
663.21344	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	662.2104
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01264	11.9
65.99728	3.3
66.62332	0.5
71.01271	8.6
71.16811	0.9
72.99195	0.6
73.02828	3.2
74.38773	0.6
85.02853	3.2
87.00767	3.1
87.04415	1.2
88.91054	0.5
89.02348	6.0
95.01243	0.6
96.18750	0.4
99.00781	1.8
99.49255	0.5
101.02360	5.9
103.03937	1.3
109.02884	1.3
113.02354	3.9
115.03920	1.8
117.03385	1.8
119.03444	3.5
119.04946	1.2
123.04468	2.5
125.02383	0.9
126.62164	0.5
131.03461	2.7
132.02112	1.9
133.02884	38.2
134.03181	6.4
135.04460	25.8
136.04805	3.6
143.03433	2.5
143.64502	0.7
144.04524	1.0
145.02890	8.4
147.04462	7.7
149.04538	0.6
149.06038	2.7
150.03221	0.8
150.43538	0.6
153.05525	1.2
160.01616	1.1
161.02393	100.0
162.02730	24.0
163.02892	1.7
163.04088	0.7
163.06088	1.6
172.04042	3.5
173.02408	15.6
174.03136	0.8
174.05556	9.6
175.03969	2.3
177.05524	0.7
179.03462	12.3
180.03801	0.8
191.03488	0.7
191.07199	0.5
193.05133	1.1
200.03516	32.6
201.03830	1.7
203.03474	5.8
205.07158	2.1
218.04616	1.6
221.04594	0.6
249.07607	0.7
261.07724	0.8
281.06723	3.5
297.10291	0.8
315.10910	2.4
316.11292	1.4
399.06845	0.6
461.16827	3.7
462.17044	1.6
477.13840	1.9
482.17065	1.0
487.14679	7.9
488.14642	1.7
500.17908	6.0
524.76483	0.5
526.15430	0.9
619.22461	1.0
622.19110	1.4
623.19885	2.3
624.20264	42.0
625.20520	5.9
626.20880	6.5
635.20166	2.9
662.21045	75.3
663.21375	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	661.3036
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46480	0.3
55.87958	0.4
69.69404	0.8
69.69824	2.0
80.41115	0.3
85.50851	0.3
87.04417	0.6
88.87714	0.4
96.35165	0.4
97.06503	2.2
98.19798	0.7
101.09208	0.4
124.05205	2.1
132.02159	0.5
133.02885	14.3
134.03720	3.4
135.04453	14.5
136.04767	0.9
137.02397	3.4
137.09753	0.4
139.03979	0.9
152.08403	0.9
161.02390	68.7
162.02727	4.5
163.02875	0.7
167.10716	5.6
178.02699	2.0
179.03459	12.5
180.03790	1.2
230.15933	0.4
270.55078	0.5
329.14023	100.0
330.14346	13.7
331.15555	60.0
331.41922	0.4
332.15921	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	662.2107
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01267	16.2
65.99734	2.7
69.60928	5.1
69.61346	2.8
71.01270	12.9
72.99176	1.4
73.02851	6.2
82.03913	1.0
85.02843	7.0
85.99986	1.1
87.00777	5.7
87.04415	1.6
89.02338	7.6
99.00775	1.8
101.02342	10.5
103.03905	3.0
109.02831	1.3
110.22267	1.1
113.02348	4.9
115.03931	3.1
117.03379	2.1
119.03405	3.5
119.04961	1.9
123.04429	2.0
125.02360	1.4
131.03409	4.2
132.02052	1.8
133.02881	32.1
134.03247	5.1
135.03423	2.4
135.04445	34.8
136.04761	3.3
137.02388	2.6
141.01900	1.3
143.03424	8.2
145.02890	9.1
146.03371	1.1
147.04477	9.6
149.06042	7.3
150.03236	1.6
153.05528	1.6
155.80061	1.2
161.02397	97.4
162.02731	21.7
163.02858	2.3
163.06039	3.3
165.05507	1.4
172.04030	2.4
173.02379	16.0
174.05548	8.0
175.04025	3.2
177.05568	9.1
179.03462	27.2
191.05461	1.3
191.07129	1.3
193.05064	4.9
200.03522	35.2
201.03882	1.6
205.07130	5.1
205.08838	1.0
221.04562	14.5
235.06123	2.8
251.05750	1.4
281.06726	14.7
315.10925	4.3
316.11304	2.4
323.07742	3.3
335.07950	1.3
336.05182	2.1
350.04050	1.4
354.12198	1.6
461.16684	7.4
462.17163	3.8
469.13580	4.4
477.14240	2.0
479.45633	1.1
487.14746	7.2
500.18091	15.2
501.17990	2.5
624.20361	48.2
625.20508	6.2
626.20703	6.7
635.19702	4.1
662.21094	100.0
663.21344	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	661.3038
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74252	0.2
71.58073	0.5
80.16792	0.3
112.87833	0.3
117.03424	0.4
121.02870	0.7
132.02061	0.3
133.01866	0.3
133.02078	0.2
133.02878	10.0
134.03694	4.0
135.04453	37.5
136.04794	2.4
137.02385	3.6
139.03897	0.7
139.11221	0.5
145.02905	0.3
146.83481	0.3
150.03160	0.3
153.75935	0.3
161.02393	48.3
162.02751	3.3
163.02831	0.3
178.02692	1.2
179.03464	17.8
180.03854	1.7
181.03909	0.3
208.25156	0.3
211.07631	1.0
227.07155	0.5
308.26440	0.3
329.14020	100.0
330.14365	19.9
331.15546	78.4
332.15894	7.8
342.44516	0.3
375.15582	0.3
468.51672	0.3
661.30579	1.2
662.31354	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.3039
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89272	0.5
119.04902	0.5
121.02879	0.9
133.02873	9.6
134.03731	3.2
135.04449	28.9
136.04778	1.3
137.02376	5.6
139.03922	0.9
150.03122	0.6
161.02393	51.9
162.02727	2.8
163.04015	0.6
166.23726	0.5
169.12317	0.8
173.05804	0.5
178.02684	1.6
179.03499	3.7
211.07678	0.9
227.07169	2.0
231.14920	0.6
285.15024	14.1
286.15390	1.9
313.22244	0.6
329.09964	1.2
329.14017	40.2
330.14359	5.7
331.15576	100.0
332.15894	9.2
445.61224	0.7
661.30676	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	661.3037
Annotation	Unknow
Peak:m/z	Relative Intensity
70.59469	2.1
72.70004	0.5
96.95953	0.6
123.08155	0.6
133.02875	11.3
134.03636	2.4
135.04472	5.7
137.02303	2.7
139.03947	1.1
145.02893	2.0
146.03250	0.9
150.03171	0.7
161.02385	68.1
162.02734	3.3
167.10738	3.3
178.02686	1.6
179.03462	4.8
194.72791	0.5
285.53143	0.7
329.14005	100.0
330.14343	12.8
331.15555	65.5
332.15927	6.6
338.49512	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.3038
Annotation	Unknow
Peak:m/z	Relative Intensity
69.68223	1.1
69.68652	0.7
93.03375	0.4
98.20588	0.3
106.04076	0.3
107.05010	0.3
109.66974	0.3
117.03393	0.5
121.02905	0.9
130.62433	0.2
132.02089	0.6
133.01843	0.4
133.02881	12.1
134.03714	4.0
135.04449	36.2
136.04782	2.4
137.02373	3.0
137.04962	0.4
139.03929	1.2
145.02890	0.4
148.05287	0.3
149.02399	0.3
150.03149	0.4
161.02391	48.6
162.02725	3.2
163.02898	0.5
169.12273	0.4
178.02699	1.2
179.03461	19.1
179.55605	0.3
180.03813	1.7
181.80327	0.2
205.01991	0.3
205.20457	0.3
211.07672	0.9
227.07190	0.6
241.88620	0.3
329.14017	100.0
330.08536	0.3
330.14368	20.0
331.15540	82.2
332.15897	8.3
483.29877	0.3
546.07690	0.3
661.30603	0.7
662.30432	0.4
684.91071	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.3603
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17834	0.1
56.63992	0.1
59.00960	0.1
59.01264	2.0
61.28071	0.1
61.98711	0.1
68.99741	0.1
70.34565	0.2
70.34958	0.2
78.27018	0.1
81.23095	0.1
81.91152	0.1
93.03351	0.6
95.04896	0.1
100.77773	0.1
117.03395	0.1
119.61043	0.1
120.90819	0.1
123.04452	0.3
159.71082	0.1
169.06534	0.2
182.07347	0.1
183.08086	0.5
193.06511	0.2
196.05222	0.1
209.06110	0.4
210.06862	8.5
211.07632	100.0
212.07964	7.4
213.07996	0.1
254.23959	0.1
314.97971	0.1
539.07092	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	661.1096
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57426	0.1
65.80138	0.1
68.87901	0.1
78.95783	0.2
79.95625	2.5
91.22889	0.1
96.95916	100.0
97.95853	0.4
101.29781	0.1
108.60540	0.1
111.84484	0.1
113.65206	0.1
135.04454	0.2
149.55298	0.1
151.00362	0.1
161.02437	0.2
165.01907	0.2
187.03996	0.1
225.07706	0.2
227.03453	0.5
255.03030	1.2
284.03339	1.7
285.04001	0.3
319.13089	0.2
447.39240	0.1
563.14221	1.9
563.22449	0.2
564.15002	0.3
617.26556	0.1
686.60132	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	659.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	8.5
61.98705	2.6
66.66837	1.0
71.01273	5.6
71.59948	1.5
73.02821	1.6
78.98417	1.0
83.01249	1.1
85.02850	2.5
87.00757	1.7
89.02321	4.9
96.95886	1.6
99.00787	1.1
101.02364	5.7
109.02850	2.9
111.00799	1.1
113.02348	3.1
119.03395	3.8
119.04971	1.4
123.00698	1.0
123.04373	1.8
125.02371	3.0
132.02101	1.5
133.02870	30.9
135.04456	28.0
136.04730	1.2
141.01883	1.0
145.02850	2.1
150.03192	1.2
151.00294	4.5
151.03925	1.9
152.01025	2.1
153.01912	1.2
153.05479	2.0
161.02386	100.0
162.02727	5.9
163.04002	2.1
169.01379	3.2
175.04028	1.7
177.01828	1.3
178.99835	5.1
179.03438	8.0
203.03525	1.4
205.01463	1.5
205.07166	1.1
209.00806	1.7
211.51332	0.9
221.04700	1.1
222.98827	1.8
243.03024	2.0
249.07784	1.1
262.16995	0.9
271.02509	4.2
287.01953	1.9
288.02899	1.5
298.86774	1.0
315.01419	2.4
315.10962	5.3
333.02539	3.3
353.85712	1.1
461.16760	5.7
473.64151	1.2
489.12659	1.4
517.11932	1.7
610.19672	1.1
623.19971	88.2
624.20380	11.9
625.13727	1.7
641.13422	2.2
643.58478	1.1
660.17261	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.3873
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37220	0.6
58.62780	0.5
59.01263	3.5
61.98721	3.5
64.38353	0.5
66.61068	0.6
69.24426	1.2
69.24820	6.5
69.99876	0.7
71.01282	2.7
71.01627	0.6
79.95630	0.7
85.02837	0.7
87.00775	1.1
89.02354	1.3
96.95924	0.7
98.19750	1.1
101.02327	1.5
111.04420	0.9
111.08057	0.6
113.02367	1.7
121.06504	0.9
122.03687	0.8
122.06033	1.3
123.04408	0.8
125.02338	0.8
131.03510	0.6
133.02887	1.9
135.04393	4.0
136.05232	34.4
136.07547	1.7
137.02368	1.0
137.05934	1.2
137.09644	0.9
147.08078	0.8
149.06024	8.9
150.06871	3.1
152.07150	0.6
161.02394	5.0
162.06819	2.3
163.07600	0.9
164.04680	0.7
164.08374	5.4
165.09169	17.7
166.09489	1.0
179.03503	1.1
179.07097	1.1
180.03935	0.7
191.05605	0.7
209.11810	2.3
211.13353	2.3
214.12358	1.0
229.09898	0.7
241.09865	1.3
242.10600	2.4
257.12973	11.0
258.13297	1.0
265.21826	0.8
301.11984	13.9
302.12274	1.2
329.23370	5.9
355.13141	0.8
403.88184	0.6
431.31668	1.1
434.30304	4.1
448.32004	1.0
449.32822	16.8
450.33047	2.6
476.31567	1.3
477.32321	3.1
494.32452	3.2
495.33295	30.5
496.33423	4.0
581.24115	0.6
593.04169	0.7
657.38690	100.0
658.29285	0.6
658.39038	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	659.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	5.0
61.98640	0.4
66.61091	0.4
69.46730	4.4
69.88263	0.5
71.01266	2.8
71.62035	0.5
73.02845	0.7
85.02863	1.1
87.00764	0.9
89.02335	2.8
98.19773	0.6
101.02345	2.9
105.03339	0.7
113.02355	1.7
115.03926	1.1
117.78172	0.5
119.03432	2.0
119.69434	0.5
123.04440	1.0
131.03416	0.9
132.02106	1.6
133.02881	26.2
135.04437	16.1
143.03450	1.4
153.05536	1.0
161.02386	100.0
162.02736	4.1
179.03445	3.8
205.07269	0.9
221.04558	0.6
286.37973	0.6
297.09915	0.6
315.10986	3.9
419.08337	1.0
426.67221	0.5
443.15790	0.6
461.16690	4.5
462.16663	0.7
487.14725	1.4
623.19965	75.8
624.20349	12.2
650.83270	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.1487
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73804	0.4
59.01266	1.2
59.07394	0.3
61.98718	100.0
69.23241	1.0
69.23663	3.3
82.86163	0.4
85.45250	0.3
89.02367	0.5
101.02387	0.6
111.61510	0.4
115.77275	0.3
123.04401	0.4
133.02940	0.7
135.04475	1.1
137.02397	0.3
139.00439	0.3
145.02927	0.7
151.00316	1.5
161.02380	1.4
178.99907	1.0
179.03432	0.7
199.03975	1.1
215.03496	0.6
227.03499	1.3
242.02202	1.6
243.03027	8.9
243.05374	0.7
244.03297	0.5
255.03072	2.8
256.03519	0.4
257.04568	1.7
270.01709	1.6
271.02533	11.8
272.03094	1.0
285.04156	3.5
286.04904	1.7
299.02036	21.6
300.02579	4.2
313.03546	0.5
314.04404	33.6
315.05023	8.0
495.22830	0.7
497.40836	0.3
553.45197	0.4
574.31140	0.4
593.15240	53.9
594.15527	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	657.3448
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91004	0.1
59.01266	1.8
59.10794	0.1
69.24228	1.3
74.69843	0.1
75.50429	0.1
81.74105	0.1
89.17674	0.1
93.03379	0.6
98.19759	0.2
102.92290	0.1
117.03365	0.2
123.04404	0.3
169.06558	0.2
183.08124	0.4
209.06087	0.4
210.06862	8.9
211.07629	100.0
212.07968	7.2
212.10982	0.1
218.80887	0.1
248.57736	0.1
575.31097	0.1
619.05298	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	655.1899
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46778	0.7
54.66446	0.7
57.03293	0.8
58.00449	0.8
58.17377	0.7
59.01266	10.8
60.19800	0.7
61.98720	11.0
63.02259	0.9
65.00176	1.3
65.03802	0.8
67.01764	0.8
68.99651	0.8
70.08121	3.0
71.01275	9.2
72.99194	7.7
73.02836	4.4
75.00717	2.3
76.63930	0.9
77.03809	0.7
81.03315	1.0
83.01250	2.0
85.02853	4.1
85.99985	0.9
87.00774	5.7
87.04382	1.9
89.02345	4.7
93.03361	7.2
95.01221	1.6
95.04899	2.3
97.02821	1.3
97.16389	0.7
99.00729	2.7
101.02367	7.0
103.03898	1.1
105.03358	1.3
107.01230	1.3
109.02847	7.4
111.00755	1.5
113.02341	3.8
115.03862	1.4
116.53126	0.7
117.03380	0.9
119.01263	1.4
119.03381	1.5
119.04932	1.3
121.02885	8.1
123.00780	2.0
123.04453	10.4
125.02306	1.6
131.03394	2.6
132.01976	0.9
133.02893	12.8
134.03575	2.4
135.04454	20.3
136.01573	1.0
136.04803	0.9
137.02374	40.9
138.02748	1.9
139.00310	1.2
139.03914	4.1
141.01762	0.8
143.03395	3.2
145.02855	1.6
145.05003	0.8
146.03476	0.8
147.00768	3.0
148.00412	1.2
148.01566	3.6
149.02386	13.3
149.05975	2.0
150.03052	2.4
151.00294	4.2
151.03922	2.9
153.01814	1.1
153.05423	1.3
157.00160	0.9
159.03014	0.8
161.02390	31.9
162.02693	2.6
163.00302	1.8
163.06111	1.7
164.01094	2.0
165.01883	17.0
166.02477	1.1
167.03456	6.7
169.01434	1.1
175.00247	1.8
175.03879	1.2
176.01013	0.9
177.01904	14.7
177.05420	3.6
178.99809	3.8
179.03447	13.7
180.03868	1.2
187.04022	1.1
192.00635	2.5
193.01399	100.0
194.01878	5.5
195.01433	0.9
195.02974	3.6
195.04562	1.0
203.03523	1.7
205.07169	2.3
213.05544	1.2
221.04617	5.4
221.06602	1.3
227.03516	7.9
229.05151	4.1
251.05699	1.0
255.03041	15.7
255.05530	1.3
257.04602	1.7
271.02618	0.8
281.06738	4.0
284.03326	20.0
285.04111	24.9
285.07175	1.3
297.09766	0.9
301.03110	0.7
315.10965	3.1
321.06552	1.1
325.48337	0.8
329.03223	0.8
433.15121	1.4
443.15930	3.2
454.38388	0.9
461.16739	22.5
462.17621	3.2
468.52838	0.8
469.13696	1.4
475.14771	1.8
477.16174	2.6
487.14639	3.8
493.15115	1.5
493.21701	4.1
515.14398	0.9
517.15753	1.8
583.20905	1.3
593.15234	40.4
611.19427	1.4
623.20215	0.8
637.17877	5.1
638.19409	1.2
655.19513	26.5
656.20093	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	656.1486
Annotation	Unknow
Peak:m/z	Relative Intensity
56.10439	0.3
59.01258	0.6
61.98717	16.9
63.02291	0.5
65.00200	0.6
73.02842	0.5
83.01263	0.5
84.40451	0.3
87.00763	0.4
91.01834	0.3
93.03352	1.6
95.01314	0.3
101.02344	0.7
107.01283	2.2
108.02115	0.3
109.02869	0.6
117.03371	0.9
119.03417	0.5
121.02812	0.5
123.00819	0.4
125.02345	0.5
133.02907	0.6
135.00821	1.0
135.04445	1.2
137.02365	1.1
139.00354	0.4
145.02895	1.4
146.03293	0.6
148.00444	0.7
148.01596	0.4
149.02440	0.5
151.00308	3.1
151.03929	0.5
152.00700	0.7
153.01894	0.6
159.04384	0.7
161.02432	1.7
162.02737	0.4
163.00322	1.6
163.03918	0.6
164.01010	0.6
165.01897	0.8
167.04951	0.3
169.06551	0.6
171.04419	0.5
175.03995	0.4
177.01898	0.7
178.99858	1.1
179.03403	0.4
185.06053	1.2
187.03926	1.5
189.05550	0.8
193.01443	2.2
195.02931	0.3
197.06056	0.9
199.03989	0.8
202.02559	0.4
211.03973	1.3
212.77243	0.3
213.05540	0.7
227.03503	18.8
228.03850	1.1
229.05075	6.7
230.05415	0.5
239.03488	1.1
240.04152	0.7
241.05054	1.1
243.02866	0.4
255.03026	33.9
256.03537	4.7
257.04532	4.6
267.02994	0.8
283.02533	0.7
284.03320	39.8
285.04080	53.0
286.04492	4.7
327.04996	0.5
396.83661	0.4
461.16797	0.5
593.15228	100.0
594.15594	16.4
594.23590	0.4
656.13531	4.3
657.14471	0.6
667.63672	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.1899
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46778	0.7
54.66446	0.7
57.03293	0.8
58.00449	0.8
58.17377	0.7
59.01266	10.8
60.19800	0.7
61.98720	11.0
63.02259	0.9
65.00176	1.3
65.03802	0.8
67.01764	0.8
68.99651	0.8
70.08121	3.0
71.01275	9.2
72.99194	7.7
73.02836	4.4
75.00717	2.3
76.63930	0.9
77.03809	0.7
81.03315	1.0
83.01250	2.0
85.02853	4.1
85.99985	0.9
87.00774	5.7
87.04382	1.9
89.02345	4.7
93.03361	7.2
95.01221	1.6
95.04899	2.3
97.02821	1.3
97.16389	0.7
99.00729	2.7
101.02367	7.0
103.03898	1.1
105.03358	1.3
107.01230	1.3
109.02847	7.4
111.00755	1.5
113.02341	3.8
115.03862	1.4
116.53126	0.7
117.03380	0.9
119.01263	1.4
119.03381	1.5
119.04932	1.3
121.02885	8.1
123.00780	2.0
123.04453	10.4
125.02306	1.6
131.03394	2.6
132.01976	0.9
133.02893	12.8
134.03575	2.4
135.04454	20.3
136.01573	1.0
136.04803	0.9
137.02374	40.9
138.02748	1.9
139.00310	1.2
139.03914	4.1
141.01762	0.8
143.03395	3.2
145.02855	1.6
145.05003	0.8
146.03476	0.8
147.00768	3.0
148.00412	1.2
148.01566	3.6
149.02386	13.3
149.05975	2.0
150.03052	2.4
151.00294	4.2
151.03922	2.9
153.01814	1.1
153.05423	1.3
157.00160	0.9
159.03014	0.8
161.02390	31.9
162.02693	2.6
163.00302	1.8
163.06111	1.7
164.01094	2.0
165.01883	17.0
166.02477	1.1
167.03456	6.7
169.01434	1.1
175.00247	1.8
175.03879	1.2
176.01013	0.9
177.01904	14.7
177.05420	3.6
178.99809	3.8
179.03447	13.7
180.03868	1.2
187.04022	1.1
192.00635	2.5
193.01399	100.0
194.01878	5.5
195.01433	0.9
195.02974	3.6
195.04562	1.0
203.03523	1.7
205.07169	2.3
213.05544	1.2
221.04617	5.4
221.06602	1.3
227.03516	7.9
229.05151	4.1
251.05699	1.0
255.03041	15.7
255.05530	1.3
257.04602	1.7
271.02618	0.8
281.06738	4.0
284.03326	20.0
285.04111	24.9
285.07175	1.3
297.09766	0.9
301.03110	0.7
315.10965	3.1
321.06552	1.1
325.48337	0.8
329.03223	0.8
433.15121	1.4
443.15930	3.2
454.38388	0.9
461.16739	22.5
462.17621	3.2
468.52838	0.8
469.13696	1.4
475.14771	1.8
477.16174	2.6
487.14639	3.8
493.15115	1.5
493.21701	4.1
515.14398	0.9
517.15753	1.8
583.20905	1.3
593.15234	40.4
611.19427	1.4
623.20215	0.8
637.17877	5.1
638.19409	1.2
655.19513	26.5
656.20093	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	655.1892
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09980	0.9
52.47245	0.9
59.01265	12.0
65.03848	0.9
67.97469	0.9
71.01272	9.3
72.99187	5.0
73.02831	3.7
78.26701	0.8
81.03385	1.2
83.01287	1.3
85.02858	4.1
87.00763	4.2
87.04440	1.5
89.02348	5.8
89.03896	0.9
93.03374	8.8
95.01324	1.6
95.04922	2.6
97.02849	1.1
99.00750	1.4
101.02364	7.1
103.03908	1.0
105.03354	2.6
106.76179	1.0
107.04897	1.1
109.02865	8.6
113.02367	3.4
115.03873	1.4
119.01325	1.4
119.03406	3.1
121.02873	9.9
123.00771	1.6
123.04446	9.5
125.02293	1.1
131.03429	2.5
132.02020	0.9
133.02896	20.0
134.03725	1.4
135.04454	39.5
136.01648	0.9
136.04739	2.1
137.02374	35.3
138.02730	1.0
139.03938	4.5
141.01859	0.9
143.03421	2.8
145.95830	0.8
147.00787	3.5
148.01631	4.4
148.04977	1.0
149.02396	20.7
150.03088	1.4
151.03946	3.8
151.19183	0.9
153.05511	2.0
161.02399	44.2
162.02745	2.4
164.01035	0.9
165.01895	16.5
166.02603	1.3
167.03453	7.6
175.00267	3.5
175.04051	1.6
177.01891	18.5
177.05464	1.2
178.02194	1.3
179.03468	22.5
180.03767	1.7
185.83269	0.9
192.00621	4.9
193.01402	100.0
194.01723	5.3
203.03525	5.1
203.05101	0.8
205.07211	2.7
227.24631	0.9
281.06647	1.8
315.10950	5.8
337.10648	0.9
443.15900	1.6
460.40854	0.9
461.16791	24.9
462.16977	3.1
469.13452	1.0
475.14801	1.4
477.16193	4.2
487.14713	12.0
488.14932	1.3
493.15479	2.2
517.15399	1.1
583.20306	1.8
611.19843	3.1
637.17999	8.3
655.18884	27.3
656.19147	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	655.1892
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35332	0.5
58.00464	0.9
59.01262	10.4
61.98713	1.4
65.00211	1.1
65.03845	0.7
67.01770	0.7
68.74747	0.5
69.30863	2.2
69.31292	3.1
71.01269	7.7
72.99205	4.8
73.02831	3.1
75.00732	1.1
77.03864	0.7
81.03346	1.1
83.01278	1.2
83.53553	0.5
85.02847	3.4
85.99954	0.6
87.00787	2.6
87.04410	0.9
89.02330	4.5
91.01770	0.6
93.03355	9.3
95.01292	1.5
95.04950	2.0
97.02866	1.4
98.20509	1.0
99.00790	0.8
99.04462	0.5
101.02350	6.7
101.09476	0.6
103.03945	0.8
105.03380	2.2
108.02088	1.0
109.02863	8.3
111.00790	1.3
113.02379	3.5
115.03945	1.4
119.01301	1.1
119.03436	3.1
121.02881	8.1
122.03637	0.7
123.00779	1.7
123.04436	7.2
124.04784	0.6
125.02367	2.3
129.46120	0.5
131.03418	2.6
132.02098	0.7
133.02878	14.1
134.03465	0.8
135.04445	23.7
136.01611	0.8
136.04761	1.8
137.02371	31.3
138.02702	0.8
139.03937	4.2
143.03404	2.5
147.00839	2.9
147.04552	0.6
148.01611	4.8
149.02385	20.2
149.05988	1.2
150.03156	3.4
151.03891	2.0
153.01892	1.1
153.05508	2.1
159.02995	0.6
161.02388	30.4
162.02759	2.7
163.06117	1.2
164.01062	1.8
165.01881	17.1
166.02368	0.9
167.03455	5.5
168.03741	0.9
168.24312	0.5
175.00305	2.4
175.03951	2.1
176.00995	0.6
177.01913	13.5
177.05510	1.3
178.02266	0.8
179.03447	10.1
180.03851	0.6
190.99820	1.1
192.00592	4.1
193.01399	100.0
194.01814	3.7
195.02960	2.0
199.35635	0.6
203.03494	4.4
205.05180	0.7
205.07204	2.1
208.25499	0.5
209.04527	1.3
221.04645	0.8
227.03455	1.4
231.81157	0.6
239.05502	0.8
245.04568	0.7
255.03009	3.1
281.06723	2.1
284.03287	5.9
285.04001	1.8
297.09671	0.6
315.10901	4.1
341.11063	0.9
377.05228	0.5
415.12024	1.5
443.15854	2.5
445.13565	0.9
461.16736	29.3
462.17111	3.6
475.14597	3.1
477.16049	3.2
478.15533	0.6
487.14859	3.8
493.14996	1.5
515.14246	1.3
517.15863	1.2
535.16840	1.5
547.16418	0.6
583.20264	1.0
593.15247	8.1
594.98474	0.7
611.19843	2.1
623.19183	1.4
637.17981	7.7
638.18640	1.6
655.18939	27.8
656.18976	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	655.1892
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09980	0.9
52.47245	0.9
59.01265	12.0
65.03848	0.9
67.97469	0.9
71.01272	9.3
72.99187	5.0
73.02831	3.7
78.26701	0.8
81.03385	1.2
83.01287	1.3
85.02858	4.1
87.00763	4.2
87.04440	1.5
89.02348	5.8
89.03896	0.9
93.03374	8.8
95.01324	1.6
95.04922	2.6
97.02849	1.1
99.00750	1.4
101.02364	7.1
103.03908	1.0
105.03354	2.6
106.76179	1.0
107.04897	1.1
109.02865	8.6
113.02367	3.4
115.03873	1.4
119.01325	1.4
119.03406	3.1
121.02873	9.9
123.00771	1.6
123.04446	9.5
125.02293	1.1
131.03429	2.5
132.02020	0.9
133.02896	20.0
134.03725	1.4
135.04454	39.5
136.01648	0.9
136.04739	2.1
137.02374	35.3
138.02730	1.0
139.03938	4.5
141.01859	0.9
143.03421	2.8
145.95830	0.8
147.00787	3.5
148.01631	4.4
148.04977	1.0
149.02396	20.7
150.03088	1.4
151.03946	3.8
151.19183	0.9
153.05511	2.0
161.02399	44.2
162.02745	2.4
164.01035	0.9
165.01895	16.5
166.02603	1.3
167.03453	7.6
175.00267	3.5
175.04051	1.6
177.01891	18.5
177.05464	1.2
178.02194	1.3
179.03468	22.5
180.03767	1.7
185.83269	0.9
192.00621	4.9
193.01402	100.0
194.01723	5.3
203.03525	5.1
203.05101	0.8
205.07211	2.7
227.24631	0.9
281.06647	1.8
315.10950	5.8
337.10648	0.9
443.15900	1.6
460.40854	0.9
461.16791	24.9
462.16977	3.1
469.13452	1.0
475.14801	1.4
477.16193	4.2
487.14713	12.0
488.14932	1.3
493.15479	2.2
517.15399	1.1
583.20306	1.8
611.19843	3.1
637.17999	8.3
655.18884	27.3
656.19147	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	654.2057
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	0.3
55.31097	0.3
57.03354	0.3
58.00486	0.4
59.01266	7.6
61.98717	20.7
64.93499	0.3
69.03345	0.3
69.85166	1.5
71.01274	5.6
72.01601	0.5
72.99189	0.7
73.02841	1.9
83.01287	0.8
85.02851	2.3
86.00016	0.3
87.00784	1.2
88.98692	0.7
89.02339	3.6
95.01275	0.4
96.95937	1.9
97.02882	0.4
99.00782	0.7
101.02347	4.3
102.02652	0.2
103.03918	0.5
105.03374	0.5
109.02843	0.3
113.02377	2.7
115.03910	0.5
117.03400	1.4
119.03394	0.9
119.04916	0.5
123.04455	0.6
125.02357	0.9
131.03438	0.8
132.02151	1.4
133.02884	27.7
134.03192	0.8
135.04453	10.4
136.04733	0.5
137.02415	0.5
143.03455	1.5
145.02884	0.9
147.04443	0.3
149.02455	0.3
149.06049	0.8
161.02393	100.0
162.02727	4.8
163.03957	0.8
163.06059	0.5
177.01889	0.5
177.82060	0.3
179.03467	6.8
180.03801	0.3
191.05563	0.4
203.03531	0.3
205.07109	0.6
243.06628	0.3
271.02509	0.4
287.22354	0.5
301.36102	0.3
316.18610	0.3
342.21194	0.2
373.25946	0.5
431.26614	0.4
447.22391	0.4
448.22672	0.8
449.22531	1.2
449.28275	0.5
450.23273	0.4
461.16687	0.4
461.23062	0.3
591.20966	59.4
592.21271	7.7
593.32434	2.9
594.32849	2.6
611.28308	0.6
612.28699	1.0
653.29352	1.0
654.19714	0.4
654.29596	1.1
655.25757	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	654.2054
Annotation	Unknow
Peak:m/z	Relative Intensity
56.16196	0.3
59.01266	6.5
61.98717	32.1
70.88546	0.8
71.01260	3.5
71.63464	0.3
72.99197	0.5
73.02839	0.6
73.47733	0.3
85.02851	1.1
86.51183	0.3
87.00763	0.4
89.02337	4.5
94.91560	0.3
96.26818	0.3
101.02348	3.7
113.02355	1.3
117.03366	1.3
119.03436	3.0
123.04437	0.7
125.02374	0.5
131.03459	0.6
132.02103	1.7
133.02879	27.5
134.03188	0.9
135.04443	15.5
136.04749	0.7
143.03444	0.6
145.02872	0.5
149.05980	0.4
150.03148	0.4
161.02386	100.0
162.02718	4.1
163.03938	0.5
167.03471	1.1
167.06111	0.3
169.56604	0.4
179.03430	0.7
179.05682	0.4
191.05649	0.5
205.07115	0.4
237.34212	0.3
254.24200	0.3
266.62851	0.4
319.45300	0.3
329.06625	0.6
449.27512	1.2
493.21222	0.4
517.88043	0.3
575.84271	0.4
591.20941	71.4
592.21301	12.0
654.17841	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	654.1904
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	0.9
57.03344	1.3
58.00467	1.5
59.01267	25.2
63.47324	0.5
64.01796	1.9
64.20615	0.5
65.99732	1.0
69.41659	3.5
69.42070	1.1
71.01273	24.0
72.01596	0.6
72.99198	1.6
73.02840	1.2
81.03342	0.7
83.01271	1.2
85.02844	9.7
86.75809	0.6
87.00771	1.2
89.02338	19.2
95.01301	3.2
98.20572	1.1
99.00808	0.9
101.02345	11.5
106.02857	0.6
113.02362	18.8
119.03416	3.4
121.02854	1.2
122.02373	1.2
122.03651	1.5
123.04438	1.2
125.02345	0.8
125.81866	0.5
131.03455	2.7
133.02888	1.3
134.02400	2.5
135.04460	3.1
137.02405	1.2
149.02437	3.1
149.04506	2.3
150.01909	2.3
150.03148	17.6
151.03703	1.1
156.86024	0.6
161.02374	2.7
161.04495	1.4
162.01846	3.5
177.01927	1.0
177.30946	0.6
179.03510	1.2
180.02980	7.0
193.01381	2.0
198.04039	0.8
206.08147	1.0
233.06624	1.3
431.15625	0.9
432.16019	0.8
461.16736	4.6
522.15033	3.2
594.21429	1.5
611.19830	2.7
654.19037	100.0
655.19281	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	653.3768
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01769	1.3
57.03337	1.5
57.49572	0.2
58.00482	2.3
59.01265	41.5
60.01607	0.5
62.50344	0.2
67.01789	0.3
68.99714	0.5
69.03339	2.2
69.73044	1.2
71.01269	38.5
72.01593	0.6
72.99199	3.0
73.02835	6.8
75.00778	0.8
81.03357	1.7
83.01271	4.6
83.04916	0.3
85.02842	8.7
85.99982	0.4
87.00771	9.1
87.04392	0.4
89.02336	31.9
90.02657	0.4
91.03902	0.6
93.03373	0.4
95.01275	2.7
95.04919	0.2
97.02847	6.5
98.03201	0.2
98.19852	0.2
99.00780	2.6
99.04413	0.5
101.02344	32.7
102.02685	0.5
103.00267	0.4
103.03909	0.3
109.02859	0.7
111.00803	0.5
111.04415	1.3
112.01571	0.2
113.02356	15.5
114.02705	0.4
115.03935	0.7
119.03418	10.6
120.03759	0.3
121.02865	0.6
123.00786	0.5
123.04426	0.4
124.01594	0.5
125.02369	13.8
126.02714	0.4
127.03938	0.5
129.01840	0.3
131.03430	2.1
133.04987	1.2
135.04462	0.2
137.02377	0.5
139.03957	1.3
141.01872	0.8
143.03436	5.7
144.03813	0.2
145.02904	0.9
149.02344	0.2
149.04480	1.2
150.25664	0.2
155.03508	0.3
157.04961	0.3
161.04501	6.7
162.04849	0.4
163.03929	0.2
167.03487	0.9
169.05032	0.6
171.02992	0.4
179.05579	7.3
180.05779	0.2
181.05057	0.3
184.85785	0.2
185.04530	0.7
197.04558	0.2
199.06079	0.6
203.05717	0.5
211.07642	0.7
217.07172	1.2
219.05103	0.5
221.06688	2.6
233.06664	0.2
235.08237	14.7
236.08562	0.7
237.22328	0.5
239.18420	0.2
245.06685	1.0
253.09314	3.4
255.23326	100.0
256.23663	9.1
263.07739	1.7
269.24902	0.6
277.09317	0.8
287.07764	3.9
288.08096	0.3
299.16370	0.2
305.08832	4.6
310.84381	0.2
323.09988	1.6
343.36621	0.2
361.11514	0.7
379.12326	1.4
397.13577	95.3
398.13910	8.2
400.85742	0.2
415.14651	33.9
416.15012	2.9
559.31683	0.2
653.36993	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3758
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21897	0.2
51.40672	0.2
55.01774	1.1
55.09198	0.2
57.03343	0.8
57.19696	0.2
58.00484	1.8
59.01265	36.0
60.01604	0.4
68.99722	0.3
69.03336	2.0
71.01270	37.2
71.59237	0.2
71.59593	0.3
72.01604	0.6
72.99197	3.0
73.02838	6.1
75.00778	0.8
81.03357	1.7
83.01275	4.1
83.04932	0.3
85.02841	8.0
87.00770	8.7
87.04424	0.3
89.02337	32.0
90.02686	0.7
91.03919	0.8
93.03309	0.3
95.01294	2.4
95.04931	0.3
97.02851	6.2
99.00764	1.9
99.04421	0.8
101.02344	30.1
102.02679	0.6
103.00336	0.3
103.03920	0.5
109.02876	0.6
111.00790	0.8
111.04444	1.4
112.49470	0.2
113.02357	15.0
114.02704	0.4
115.03921	0.6
119.02572	0.5
119.03419	10.4
121.02868	0.8
123.04449	0.4
124.01566	0.4
125.02365	13.1
127.03905	0.4
129.01859	0.4
131.03452	1.1
133.04988	1.0
137.02405	0.4
139.03906	1.0
141.01907	0.4
143.03424	6.3
149.02341	0.3
149.04442	0.7
161.02457	0.5
161.04497	7.6
163.03940	0.4
167.03465	0.9
169.04994	0.7
179.05571	5.9
180.05833	0.3
185.04547	0.8
199.06119	0.7
203.05510	0.4
211.07600	0.3
217.07201	1.2
219.05145	0.5
221.06636	2.3
235.08244	14.8
236.08546	0.7
237.22321	0.3
245.06705	1.0
249.78471	0.2
253.09351	3.5
255.23335	99.9
256.23685	8.0
263.07755	1.3
269.24985	0.8
277.09302	1.2
279.32413	0.3
287.07800	3.9
305.08798	4.2
323.09943	2.2
361.11505	0.5
379.12610	1.1
397.13583	100.0
398.08450	0.3
398.13873	7.9
415.14651	35.5
416.14969	3.2
448.36005	0.3
653.37280	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2314
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03336	0.3
58.00494	0.1
59.01259	1.5
60.99194	0.1
65.34699	0.1
67.01775	0.4
68.95975	0.1
69.03345	0.2
70.44242	0.4
70.44600	0.1
71.01272	1.1
72.99195	0.2
73.02835	0.4
75.50079	0.1
81.03333	0.2
83.04910	0.3
84.02082	0.2
85.02840	7.3
87.00767	1.7
89.02345	0.6
93.03362	2.5
94.03722	0.1
95.01300	0.1
99.00781	0.3
99.04400	0.5
101.02335	0.5
109.02866	0.7
109.98071	0.1
111.00823	0.1
111.04433	0.9
113.02359	0.2
115.03885	0.2
119.03401	0.2
125.02406	0.1
127.03930	1.8
129.01816	0.1
131.03462	0.3
135.04448	0.7
137.02353	0.2
143.03415	0.3
147.02893	0.2
149.04500	0.8
155.03418	0.1
165.05513	0.2
171.02979	0.6
173.04485	1.1
191.05582	100.0
192.05927	3.9
205.03491	0.4
274.33011	0.1
315.11011	0.7
452.32355	0.1
461.16727	6.3
462.17291	0.7
623.28802	0.1
679.62744	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	653.2315
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56505	1.2
55.01762	2.4
57.03330	2.2
58.00490	1.5
59.01262	39.4
71.01266	53.1
71.31142	2.8
72.01577	1.1
72.99200	2.9
73.02821	8.8
79.54556	1.1
83.01276	10.2
85.02840	22.3
87.00780	1.9
89.02335	26.4
95.01282	3.7
97.02859	2.6
99.00771	4.6
101.02344	36.3
112.01575	3.4
113.02348	31.5
119.03417	8.3
123.04460	1.5
125.02367	6.4
131.03403	1.4
133.02878	1.7
135.04424	3.1
143.03441	7.5
149.02330	1.8
149.04454	1.4
150.03137	4.0
150.31604	1.2
159.02914	2.6
161.02415	4.5
161.04489	16.5
179.03439	1.7
179.05579	3.5
180.02823	1.2
187.37700	1.2
191.05611	1.9
207.90533	1.1
228.00941	1.4
269.10428	10.9
386.64578	1.2
431.15662	61.4
432.15930	5.5
593.20990	100.0
594.21222	14.5
653.20062	2.8
654.18945	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	653.2122
Annotation	Citbismine-F
Peak:m/z	Relative Intensity
59.01265	11.2
61.98713	0.8
69.77466	3.3
71.01273	8.6
72.99187	1.2
73.02837	5.1
83.01257	1.3
85.02852	3.5
87.00768	3.5
87.04410	1.4
89.02341	6.4
96.15816	0.5
96.95879	0.8
98.20535	0.8
99.00781	3.9
101.02341	8.1
101.89112	0.6
103.03927	1.1
109.02888	0.7
113.02367	5.1
115.03935	2.0
117.03395	1.3
119.03442	3.0
119.04928	3.3
120.05247	0.6
122.03690	1.4
123.04406	1.4
125.02295	0.9
131.03432	3.5
131.19682	0.5
132.02103	2.0
133.02890	28.2
133.85266	0.5
134.03226	0.9
135.04454	14.1
137.02391	2.3
143.03455	4.1
145.02898	2.8
149.02399	1.4
149.04474	0.7
149.06049	2.9
150.01964	0.9
150.03168	14.9
151.03766	0.8
159.02954	1.4
159.04398	0.8
161.02390	100.0
162.02829	3.8
163.03914	4.2
163.06079	1.3
164.04366	0.7
176.04817	0.6
177.05533	4.4
179.03464	11.6
180.02875	0.9
181.05060	0.8
187.03999	1.4
191.05550	1.2
203.03482	2.1
205.05334	0.8
205.07124	3.3
221.04579	3.0
223.06181	0.6
245.63597	0.6
251.05495	0.6
257.91742	0.6
281.06729	3.2
298.60074	0.7
330.09622	1.7
345.12073	1.8
467.12061	0.9
476.15506	1.7
487.14322	1.0
491.17813	6.9
492.13354	3.4
507.15530	1.0
530.67529	0.6
607.16614	1.6
645.47980	0.9
653.20953	67.3
654.18671	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	653.21
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61834	0.3
58.00465	0.4
59.00988	0.7
59.01264	7.2
69.99098	1.2
69.99507	0.7
71.01271	4.8
72.99203	1.0
73.02836	2.2
83.01300	0.5
85.02845	2.0
87.00786	2.3
87.04413	0.8
89.02338	3.0
93.03390	0.4
95.01313	0.4
98.19822	0.4
101.02344	3.5
103.03923	0.9
104.02617	0.5
105.03386	0.5
109.02885	0.5
113.02352	2.0
115.03928	1.3
117.03381	1.1
119.03412	1.2
119.04941	0.8
121.02887	0.7
123.04454	0.8
125.02369	0.5
131.03423	1.8
132.02071	1.9
133.02884	36.5
134.03296	1.3
135.00841	0.4
135.03424	0.7
135.04454	13.5
136.04782	0.8
137.02400	1.6
137.62979	0.4
143.03453	1.9
145.02840	0.6
149.02354	0.9
149.06078	0.5
150.03162	5.2
151.00414	0.6
161.02391	100.0
162.02756	4.6
163.00328	1.0
163.03983	0.9
163.06085	1.1
165.01875	0.5
177.01933	1.0
177.05563	0.5
179.03456	7.8
190.01985	0.3
190.99826	0.7
192.00621	0.8
193.01408	1.5
203.03537	1.2
205.07211	1.6
221.04543	0.8
293.41599	0.4
298.01181	0.4
300.02780	1.0
345.12021	0.7
381.21259	0.4
473.17740	1.1
476.15552	0.9
487.14468	0.6
488.15091	0.6
491.17664	3.4
503.19272	0.5
507.15729	0.6
517.15540	0.5
623.23969	0.5
653.20996	54.2
654.21631	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	653.2104
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	5.5
61.98714	0.4
71.01273	4.3
72.99192	0.9
73.02842	2.0
81.03345	0.4
83.01281	0.3
85.02840	1.8
87.00763	2.0
87.04425	0.8
88.61988	0.2
89.02338	2.7
96.95941	0.4
99.00833	0.3
99.67027	0.2
101.02343	3.4
103.03914	0.6
105.03365	0.4
107.01283	0.4
109.02843	0.5
113.02351	1.8
115.01828	0.3
115.03915	0.8
116.92771	0.6
117.03390	0.9
119.03429	1.0
119.04939	0.9
121.02856	0.5
123.04433	0.9
125.02345	0.4
127.03912	0.3
131.03426	1.8
132.02094	2.3
133.02882	34.7
134.03261	1.3
135.04451	13.1
136.04782	0.8
137.02365	1.1
143.03458	2.0
145.02888	0.7
147.47954	0.3
149.02374	1.0
149.04503	0.4
149.06027	0.5
150.03166	5.0
151.00307	0.4
151.03821	0.3
160.01613	0.4
161.02393	100.0
162.02745	5.5
163.00319	0.6
163.03993	1.1
163.06076	1.0
165.01941	0.4
165.05518	0.4
171.83206	0.3
175.03969	0.9
176.01022	0.2
177.01936	0.6
177.05513	0.8
179.03468	9.4
180.03831	0.8
181.05019	0.7
190.99773	0.8
191.03464	0.3
191.05623	0.3
192.00603	0.3
193.01366	0.3
193.05072	0.5
203.03482	1.5
204.03920	0.4
205.07085	1.5
221.04585	0.6
223.06221	0.2
243.06581	0.2
255.03003	0.7
256.03409	0.4
263.05426	0.2
268.16754	0.2
271.02631	1.1
272.02957	1.0
273.03271	0.6
281.06781	0.6
282.07166	0.3
297.82855	0.2
299.02151	0.3
300.02716	1.4
301.03226	1.4
302.03357	0.9
315.11023	0.7
323.07333	0.3
327.10880	0.3
337.09250	0.5
345.01709	0.4
345.12042	0.5
461.16876	0.4
473.16800	0.5
476.15659	0.9
486.92914	0.3
487.14651	0.7
488.15244	0.7
491.18002	3.0
492.18735	0.5
492.97488	0.3
503.19366	0.4
517.15601	0.5
623.23627	0.4
653.21106	53.4
654.21643	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	653.2097
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59679	0.6
53.04973	0.6
57.77961	0.7
58.23910	0.6
59.01259	4.9
61.94974	0.7
71.01278	3.5
71.59736	1.2
73.02829	1.4
85.02846	1.9
87.00769	1.4
89.02348	1.2
94.32914	0.6
101.02334	3.5
109.02856	1.5
113.02370	1.4
115.03931	0.8
119.03422	0.6
121.02873	1.2
123.04440	4.5
125.02318	1.0
131.03357	1.1
132.02112	1.9
133.02876	35.2
134.03253	1.2
135.04442	28.9
136.04782	1.4
143.03401	2.0
147.04431	1.4
149.02359	1.6
150.03160	12.3
151.03947	11.9
153.05516	0.7
161.02385	100.0
162.02710	3.9
163.00349	0.8
163.06027	1.2
164.07106	2.0
165.01869	1.1
175.04010	1.2
177.01819	0.9
177.05542	0.7
179.03445	24.7
180.03763	1.6
190.99760	0.9
193.01402	1.3
203.03496	2.1
205.05043	2.1
205.07137	2.1
206.08150	3.5
223.38754	0.6
236.02191	0.8
256.42126	0.6
323.08005	0.7
459.15332	2.2
487.14832	5.8
488.14984	1.0
491.17145	1.0
621.18359	45.1
622.18579	5.3
653.21112	27.1
654.21588	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	653.2108
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03336	0.4
58.00485	0.3
59.01266	5.2
69.65680	1.4
69.66087	0.9
71.01263	2.5
72.99193	0.7
73.02850	1.6
74.03889	0.3
75.87692	0.3
79.78664	0.4
85.02853	1.4
85.99957	0.3
87.00784	1.3
87.04419	0.4
89.02327	1.6
101.02370	1.8
103.03921	0.7
105.03366	0.8
107.04934	0.4
109.02870	2.0
111.00773	0.7
113.02343	1.2
115.03925	0.5
117.03376	0.6
119.03407	0.3
119.04868	0.3
121.02853	0.7
122.03683	0.4
123.04438	2.7
123.71825	0.4
125.02375	0.6
131.03429	1.4
132.02107	2.2
133.02885	34.2
134.03276	1.2
134.03584	1.2
135.04449	23.8
136.04796	1.0
137.02379	1.1
143.03415	1.2
147.04437	0.6
149.02377	1.3
149.06017	1.1
150.03166	13.4
151.00409	0.4
151.03964	6.7
159.04283	0.3
161.02388	100.0
162.02736	5.5
163.00284	0.4
163.03999	0.9
163.06071	1.4
175.03955	2.8
176.95831	0.4
177.02017	0.4
177.05519	3.2
179.03458	22.5
180.03844	1.6
185.11565	0.3
189.05667	0.5
195.06541	0.4
203.03496	11.5
205.05072	1.4
205.07182	1.2
217.05060	0.4
221.04608	2.2
233.04553	0.5
247.08356	0.7
263.05579	0.8
281.06686	2.8
305.06805	0.4
313.09518	0.4
323.07587	0.5
348.58011	0.4
441.14151	0.4
459.15140	2.1
460.15152	0.4
469.13693	1.1
487.07578	0.5
487.14676	10.4
488.15189	0.9
491.17978	0.7
517.16010	0.5
621.03644	0.5
621.18384	32.6
622.18854	4.1
653.21057	33.6
654.21442	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	652.1896
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82995	0.5
54.85761	0.4
59.01270	6.6
60.37510	0.5
65.03878	0.5
66.03391	0.5
66.91011	0.5
67.01775	0.6
69.03332	0.8
71.01270	3.8
71.30366	1.1
72.99204	0.8
73.02830	2.5
81.03341	0.5
82.94910	0.5
85.02842	2.7
87.00774	3.0
87.04385	0.5
89.02327	1.2
89.03865	0.7
92.04950	1.0
93.03371	1.2
95.01291	2.1
101.02360	2.5
103.03906	0.6
105.03370	0.6
107.04945	1.1
109.02874	6.1
111.00820	2.4
113.02359	2.3
115.03931	1.0
117.03351	1.0
117.23684	0.5
118.02912	1.6
119.04874	0.8
121.02855	1.9
123.04425	1.4
125.02345	0.7
131.03416	2.2
132.02115	2.0
133.02884	29.2
134.03604	4.0
135.04449	66.0
136.03928	1.3
136.04794	4.6
137.02380	12.9
139.03877	0.9
143.03421	1.2
145.02846	0.6
146.02388	1.3
147.03200	2.9
147.04427	1.7
148.05244	1.2
149.02373	3.3
149.06027	4.7
150.03087	1.7
150.06274	0.6
151.04004	0.8
158.03665	0.6
159.04454	0.5
160.82045	0.5
161.02393	100.0
162.02728	11.8
163.00325	1.7
163.02696	0.5
163.06065	1.3
164.03479	32.4
165.01909	2.9
165.03755	0.7
174.03119	1.0
175.00514	0.5
175.03952	11.4
176.04395	0.7
177.01932	1.4
177.05507	10.2
178.02629	0.9
178.05864	0.8
179.03459	65.6
180.03786	5.6
190.99863	2.1
193.01450	0.7
193.05115	0.5
195.02805	0.6
201.05598	1.5
203.03484	55.3
204.03819	4.3
205.07106	1.0
217.05051	0.9
219.06685	0.6
221.04567	8.0
233.04587	1.0
235.05940	0.6
245.04597	2.8
247.08429	0.5
250.68433	0.6
263.05634	6.3
281.06732	31.6
282.07047	2.9
285.04059	1.0
305.06613	2.5
309.07971	0.5
323.07867	3.0
370.22247	0.5
394.60959	0.6
469.13556	7.0
470.14075	1.3
481.11209	0.6
487.14685	55.5
488.14993	8.6
489.16745	0.7
490.16147	1.2
504.18881	0.6
621.18292	1.0
651.19464	0.5
652.19299	25.5
653.19720	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	652.1902
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01774	0.6
57.03299	0.4
59.01265	9.8
64.01801	1.7
65.99725	1.4
66.03366	0.6
69.03342	1.0
69.56519	1.0
69.56953	1.6
71.01269	5.5
72.99180	0.9
73.02836	5.9
83.01288	0.5
85.02849	3.2
85.99989	0.9
87.00773	5.3
87.04395	2.2
89.02329	2.6
92.65691	0.3
94.02875	0.9
95.01254	0.8
97.02851	0.5
99.00812	0.6
101.02343	3.7
102.05506	0.3
103.03896	0.6
106.02870	1.0
107.01282	0.4
113.02364	2.7
115.03934	3.4
117.03360	2.4
119.03413	1.1
119.04940	10.6
120.05278	0.7
121.02869	1.5
122.02386	1.5
122.03665	2.6
125.02354	0.9
131.03427	4.6
132.05731	0.9
133.06512	4.0
134.02409	4.3
134.03539	0.7
135.04385	0.5
137.02422	0.5
143.03432	4.4
145.02885	12.4
145.04854	0.7
149.02357	1.1
150.01932	2.5
150.03154	30.3
151.03572	1.4
152.03471	0.7
161.02362	1.0
161.06024	11.7
162.01921	5.5
162.06314	0.4
163.02657	0.4
163.03928	9.7
164.04367	0.4
177.05524	0.5
180.02988	6.2
187.03981	0.7
198.04071	0.5
205.05026	8.5
205.07129	2.3
265.07217	5.8
271.02557	0.6
299.01999	1.4
360.09406	4.3
432.31549	0.5
506.15259	30.0
507.15585	3.2
605.18927	1.2
609.32452	0.4
632.09814	0.4
652.18982	100.0
653.19263	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	652.19
Annotation	Unknow
Peak:m/z	Relative Intensity
56.94513	1.2
58.00467	1.1
58.17463	1.2
59.01265	11.4
64.01805	2.7
65.99741	3.3
69.82772	4.1
69.83190	4.0
71.01265	8.4
71.98184	1.2
73.02832	5.4
85.02847	3.9
87.00774	5.7
87.04439	1.8
89.02348	2.7
93.03355	2.4
94.02865	1.3
95.01340	1.5
96.50170	1.2
98.20531	2.1
101.02355	3.5
103.03894	1.4
113.02351	4.5
115.03880	1.2
117.03378	11.9
119.04945	45.6
120.05281	2.2
121.02852	1.5
122.02346	2.1
122.03659	3.7
128.51476	1.4
131.03433	2.6
133.02884	1.3
133.06514	2.5
134.02388	6.2
143.03462	3.1
145.02893	43.4
146.03165	1.6
149.02325	2.3
150.01979	2.8
150.03163	44.5
151.03639	1.3
152.03465	1.7
159.04512	7.5
160.89587	1.1
161.05984	6.3
162.01929	5.2
163.03958	42.5
177.05563	2.5
180.02966	9.0
187.03981	24.0
198.03995	1.9
205.05031	2.9
205.06903	1.3
229.05057	1.9
237.29375	1.1
241.87335	1.2
265.07111	1.8
299.02182	1.9
488.14124	3.8
499.11581	1.3
499.72781	1.7
506.15347	8.1
507.15759	1.6
652.19000	100.0
653.19324	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	652.1904
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10270	0.3
58.66068	0.4
59.01268	5.4
61.98705	1.6
64.01489	0.7
64.01813	12.7
65.00213	1.9
65.99734	7.9
66.03372	1.0
67.01761	1.1
68.16364	0.3
69.03318	0.5
70.92995	0.4
71.01275	3.8
71.57786	0.5
72.99209	0.5
73.02822	1.9
78.03374	0.6
83.01257	1.0
85.02843	2.0
87.00768	1.8
87.04406	0.5
88.98716	0.9
89.02339	2.0
92.01327	0.9
94.02886	3.7
95.01263	2.3
96.37046	0.4
96.95907	0.5
101.02352	2.5
104.02577	1.7
105.02090	0.7
105.03369	0.4
106.02866	1.3
107.01287	4.4
109.02797	0.4
113.02354	1.3
116.01324	0.5
117.03366	1.1
119.03469	0.4
119.04943	5.2
120.00832	1.3
121.01608	0.7
121.02833	0.6
122.02399	7.5
122.03683	0.8
123.00792	2.3
123.04439	0.4
125.02390	0.6
131.03447	1.0
132.02101	0.5
133.01611	1.8
133.02861	6.6
133.06520	0.7
134.02414	3.3
135.04463	2.8
137.02354	0.7
137.06052	0.4
139.03947	0.4
143.03438	1.3
145.02892	5.9
145.04951	0.4
148.01575	1.6
149.02367	1.2
150.00735	0.6
150.01895	8.4
150.03159	8.2
151.03896	0.7
152.03456	0.5
159.04434	0.5
160.00330	0.5
161.01172	0.7
161.02382	5.4
161.06061	2.2
162.01845	6.6
163.02649	0.7
163.03923	4.5
163.99768	0.9
165.00606	1.1
176.01118	3.9
177.01904	5.4
178.01358	2.9
179.02061	0.4
179.03484	2.4
179.04849	0.5
180.02960	2.1
181.03673	0.4
187.03949	0.7
191.05556	0.6
203.03491	0.6
205.05031	1.3
205.06903	0.6
206.00945	8.7
224.02031	2.1
265.07181	1.3
271.02548	1.3
299.02032	3.2
360.09232	0.6
429.45288	0.4
471.15445	0.5
506.15152	6.2
507.15753	0.8
605.19067	0.6
652.18958	100.0
653.19318	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	652.1897
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01768	0.3
57.03331	0.4
58.00477	0.3
59.01266	6.1
60.99189	2.9
62.42154	0.2
64.01805	2.2
65.99734	2.0
69.03348	0.5
69.26558	2.3
71.01270	4.8
72.99192	0.5
73.02837	3.0
73.03204	0.4
74.83682	0.2
75.00769	0.3
78.03393	0.2
81.03335	0.2
83.01279	0.8
85.02843	3.0
86.00001	0.7
87.00768	2.7
87.04401	1.0
88.98699	23.5
89.02341	1.8
90.03341	0.2
91.01862	0.3
93.03365	0.9
94.02895	0.9
95.01299	0.9
96.04435	0.2
97.02855	0.5
99.00783	0.4
101.02351	2.3
103.03934	0.6
106.02895	0.9
107.01305	0.3
113.02357	3.0
115.03909	1.3
117.03378	9.2
118.02888	0.3
118.03701	0.4
119.04945	37.0
120.05270	1.7
121.01546	0.3
121.02898	1.0
122.02402	1.1
122.03654	2.3
123.00816	0.5
123.03198	0.4
124.03979	0.3
125.02356	0.8
131.03439	1.8
133.02893	0.5
133.06522	0.5
133.93216	0.2
134.02417	3.4
134.03496	0.4
135.04449	0.5
136.03975	0.4
137.02385	0.7
138.03162	0.5
143.03421	1.2
145.02890	27.6
146.03217	1.1
149.02386	1.4
150.01990	1.7
150.03162	28.7
151.03505	1.0
152.03529	0.4
154.02744	0.2
158.03697	0.2
159.04436	1.2
161.02414	0.9
161.04706	0.2
161.06026	1.2
162.01909	4.3
163.03949	38.1
164.04457	1.5
177.02019	0.2
177.05519	0.8
179.02155	0.4
179.03517	0.5
180.02997	5.0
187.02328	0.3
187.03981	4.6
188.04247	0.3
198.04070	1.3
205.05087	0.6
205.07181	1.2
217.04944	0.3
227.03560	0.4
229.05084	0.5
255.03062	0.8
265.07388	0.4
279.12259	0.3
284.03262	1.6
324.07407	0.4
360.09561	1.5
381.85120	0.2
383.58441	0.2
471.15540	0.5
506.15274	7.4
507.15616	0.8
563.14081	2.6
605.18921	2.1
606.19366	0.5
652.18976	100.0
653.19299	18.7
653.30310	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	652.1898
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	0.4
59.01265	7.0
64.01801	1.8
65.99734	1.9
69.03339	0.6
71.01266	4.4
71.47289	0.4
72.99199	1.0
73.02832	4.8
81.03357	0.4
83.01274	0.5
85.02842	3.2
85.99969	1.1
87.00762	3.8
87.04407	2.0
89.02351	1.7
93.03361	0.9
94.02859	0.7
95.01268	0.9
97.02833	0.8
99.00788	0.4
100.88609	0.3
101.02336	2.2
103.03917	0.7
106.02867	1.0
109.10834	0.4
109.87562	0.3
113.02356	2.3
115.03898	1.6
117.03374	10.1
119.04943	31.3
120.05286	1.4
121.01681	0.4
121.02837	1.2
122.02396	1.2
122.03664	3.2
123.03143	0.7
124.03938	0.5
125.02348	1.1
131.03426	1.9
131.04947	0.9
132.05707	0.4
133.01628	0.5
133.02847	0.4
133.06526	1.7
134.02405	3.7
134.03392	0.6
135.04424	0.4
137.02406	0.7
138.03140	1.2
143.03447	2.1
145.02888	35.2
146.03252	1.7
147.04456	0.4
149.02396	1.4
149.05989	0.4
150.01984	1.8
150.03160	27.7
151.03600	1.1
152.03465	0.4
158.03690	0.7
159.04445	3.7
161.06052	2.7
162.01910	3.9
163.03949	31.1
164.04308	1.5
177.05537	1.5
179.02394	0.4
180.02980	5.5
187.03990	14.6
188.04320	0.9
198.04053	2.4
205.05017	1.5
205.07034	0.6
214.93187	0.3
229.05095	0.9
265.07230	0.9
289.07147	0.6
340.77576	0.4
360.09518	1.7
488.14307	0.7
506.15228	6.3
507.15317	0.8
536.32092	0.3
554.53394	0.5
563.30212	0.4
590.66760	0.4
594.60870	0.4
605.18347	0.5
652.18964	100.0
653.19299	16.5
653.30542	0.5
680.88098	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	652.19
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	0.7
56.34314	0.4
57.03327	0.6
59.01266	10.4
61.98711	0.6
64.01817	2.7
65.99722	3.0
69.37936	4.6
71.01266	7.4
72.99198	1.4
73.02844	5.9
81.03338	0.7
83.01269	1.1
85.02852	5.5
86.00001	0.7
87.00780	4.2
87.04398	1.8
89.02335	3.5
93.03326	1.6
94.02863	1.1
95.01271	1.1
97.02827	0.9
98.22263	0.4
99.00751	0.8
101.02349	4.5
103.03922	0.9
106.02902	0.9
107.01247	0.5
108.02041	0.7
113.02367	4.6
115.03923	2.4
117.03376	12.5
119.04945	55.4
120.05271	2.1
121.02857	1.3
122.02411	2.5
122.03650	3.3
123.03188	0.6
123.04400	0.5
125.02359	1.5
131.03424	3.2
133.02870	1.6
133.06516	1.0
134.02399	4.8
134.03374	0.6
135.04437	1.8
136.03914	0.6
137.02391	0.9
138.03128	0.6
143.03444	2.7
145.02896	39.9
146.03220	1.7
149.02415	2.6
149.06061	1.0
150.01997	2.5
150.03168	42.9
151.03709	1.0
159.04512	1.8
161.02391	4.1
161.06021	1.8
161.85417	0.5
162.01880	5.9
163.03963	59.7
164.04283	2.1
177.05498	1.1
179.02107	0.7
179.03444	1.6
180.02979	8.0
187.03978	8.3
190.42749	0.5
198.03986	2.4
205.05019	0.9
205.07123	1.2
217.05222	0.7
265.07294	0.8
351.10944	0.8
360.09473	3.0
461.16470	0.7
471.15247	0.6
506.15289	9.4
507.15515	1.1
568.58044	0.6
605.18927	2.3
652.18970	100.0
653.19342	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	651.3115
Annotation	Unknow
Peak:m/z	Relative Intensity
56.18751	10.4
59.01236	11.0
67.55879	11.2
70.95239	29.5
70.95588	17.6
87.38454	11.2
101.31685	11.7
105.51561	10.5
137.81384	12.1
211.07632	100.0
447.10196	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	651.311
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10735	2.9
59.01269	5.5
73.38960	3.3
78.95789	5.1
94.15419	3.4
98.20576	7.0
113.20734	3.7
123.66112	3.3
129.16393	3.3
133.02914	5.0
135.04405	3.7
138.81192	3.2
145.02869	11.3
161.02383	19.9
179.03360	4.3
187.31978	3.5
189.95293	4.1
211.07605	10.5
299.16574	11.2
315.16104	100.0
316.16412	8.5
568.51276	4.1
615.33130	24.7
625.52637	4.1
628.48236	4.2
650.79626	7.5
651.29108	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	651.2883
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06970	0.4
55.01772	4.1
57.03338	3.8
58.00481	3.5
59.01266	96.3
60.01611	0.8
61.98715	1.9
62.21685	0.4
67.01790	0.5
67.83706	0.4
68.99699	0.9
69.03349	3.3
71.01271	100.0
72.01598	1.2
72.99207	6.2
73.02839	32.6
74.03172	0.4
75.00768	1.7
81.03357	1.5
83.01279	22.3
84.02068	1.0
85.02844	43.0
86.00018	0.7
86.03170	0.7
87.00228	0.8
87.00771	13.6
88.98724	0.5
89.02341	56.0
90.02670	0.8
93.03400	0.9
95.01290	10.7
96.95899	1.0
97.02858	7.1
99.00782	19.1
99.04472	0.6
101.02349	67.2
102.02694	0.9
107.03432	0.6
109.02867	1.1
111.00787	4.3
112.01566	2.9
113.02361	67.7
114.02691	1.7
115.03924	1.2
119.02573	0.8
119.03419	16.2
119.04877	1.1
120.03755	0.4
121.02868	1.0
121.72781	0.5
123.04450	0.8
125.02364	13.3
127.03948	0.9
129.01875	2.6
131.03429	9.5
133.02881	3.1
134.30748	0.4
135.04453	4.6
137.02364	1.6
139.03915	0.5
141.01897	0.8
143.03436	18.9
144.03787	0.5
145.02930	0.8
145.05006	2.0
149.04503	9.4
149.05861	1.0
150.03194	0.8
151.04044	0.5
155.03415	0.8
159.02924	4.7
161.02460	6.8
161.04497	25.0
162.02878	0.5
163.03909	1.1
167.03470	1.5
175.03946	0.6
177.19954	0.5
179.03487	2.8
179.05576	13.7
180.05975	0.7
182.23625	0.4
185.04498	2.1
191.05583	7.8
197.96022	0.4
203.03613	0.7
203.05600	1.6
205.03477	0.7
217.07207	2.0
219.05119	1.0
219.13940	0.5
221.06587	0.6
227.05594	0.6
229.20766	0.6
233.06689	7.3
245.06839	0.5
249.15132	2.1
275.07758	1.2
279.16080	1.0
287.05450	0.6
293.08701	0.6
315.18231	11.4
316.18460	0.7
335.09787	0.5
357.19217	1.6
381.18967	0.5
392.12283	1.6
392.62439	0.7
411.20380	1.0
429.21454	1.2
441.21063	0.5
447.22455	79.3
448.22806	8.3
459.15955	0.9
459.22437	16.4
460.22818	1.8
477.23520	22.7
478.23749	2.9
489.23477	7.4
490.23309	0.7
513.23621	1.5
517.22827	1.1
519.24591	26.3
520.24982	3.3
573.25616	1.2
589.19513	1.3
591.26715	21.4
592.27081	3.1
609.27771	65.5
610.28052	10.2
629.26166	0.8
649.34015	0.5
651.28827	50.2
652.18964	1.5
652.29047	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	650.1738
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01260	6.4
63.76994	1.5
65.00212	3.4
65.99738	2.4
70.00258	8.1
71.01266	6.4
73.02826	3.6
83.01275	1.4
85.02849	2.9
87.00767	2.3
89.02345	3.6
93.03355	6.2
95.01273	1.9
99.00735	1.7
101.02372	3.8
103.03963	3.3
107.01283	6.6
109.02843	4.0
117.03339	3.0
118.02905	1.9
119.01315	1.5
121.02879	3.9
122.02398	2.8
123.00763	5.2
123.04424	1.9
124.01540	1.9
125.02311	3.3
131.03467	2.1
132.02113	3.6
133.02866	10.3
134.02426	8.4
135.00735	1.6
135.04442	7.1
137.02364	16.9
143.04912	1.6
145.02882	5.6
146.02354	2.4
149.02347	3.8
151.00293	15.0
151.03900	2.3
161.02400	13.0
162.01923	18.5
163.00362	7.5
163.06116	3.5
164.03473	21.6
165.01900	2.0
169.01428	2.4
172.04056	2.5
175.03963	2.0
176.01080	1.4
177.00482	2.1
177.01907	24.9
177.05530	1.5
178.99800	8.8
179.03464	5.7
183.04547	2.2
185.43863	1.4
186.01962	15.9
187.03958	2.3
189.58548	1.3
190.01416	11.6
193.01419	1.9
195.02934	1.9
203.02153	4.8
204.02985	21.0
205.07069	2.2
211.03879	3.2
213.05367	1.5
225.05571	3.0
227.03519	10.7
229.05127	3.5
239.03508	3.9
240.04280	1.7
243.03030	2.4
250.05122	2.1
255.03012	22.1
256.06198	2.1
257.04745	1.9
266.04538	2.3
267.03003	3.4
268.03729	1.8
269.04608	17.2
270.04300	1.4
271.02484	8.1
272.03354	3.0
273.04117	1.9
278.04538	4.9
279.02985	9.3
280.06006	2.3
283.02573	8.6
284.03168	12.4
284.05765	1.8
285.03958	3.9
294.04141	6.7
295.04861	4.0
296.03113	2.0
297.04010	10.3
300.02667	14.5
300.05063	1.4
301.03577	24.0
305.03174	1.7
306.04126	19.9
323.04364	22.5
324.05191	75.7
325.05554	3.8
340.04691	2.9
341.05396	12.4
342.06155	8.3
432.39636	1.7
459.15262	2.0
485.12985	11.2
501.13348	1.7
512.13959	3.1
530.15265	17.6
540.85944	1.4
556.13196	2.7
583.16547	2.0
609.14514	9.2
632.16272	41.3
633.16663	6.5
650.17383	100.0
651.17896	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	651.1945
Annotation	Aeschynanthoside D
Peak:m/z	Relative Intensity
52.60666	0.2
55.01722	0.2
57.03323	0.3
59.01259	4.9
59.26077	0.2
69.03343	0.4
71.01268	4.0
71.59991	0.3
72.99196	0.8
73.02834	2.2
77.03864	0.3
83.01265	0.6
85.02843	2.3
85.99990	0.9
87.00773	2.6
87.04403	1.0
88.82723	0.2
89.02345	1.7
89.03889	0.4
93.03349	0.6
95.01302	0.5
97.02906	0.4
99.00785	0.4
101.02341	2.5
103.03913	0.9
105.03382	0.7
107.01320	0.2
107.04945	0.5
108.02096	0.2
109.02853	2.5
109.97410	0.2
111.00779	0.8
113.02391	1.4
115.01885	0.3
115.03925	0.7
117.03379	1.2
119.03442	0.7
119.04944	0.3
121.02877	2.5
122.03674	0.4
123.04447	1.6
125.02401	0.4
131.03458	1.7
132.02101	2.1
133.02882	38.1
134.03717	3.0
135.04448	36.1
136.04840	1.2
137.02367	4.6
138.03091	0.3
139.03963	0.8
143.03430	1.8
145.02870	0.4
145.04956	0.3
147.03191	0.5
147.04453	0.6
148.05185	0.5
149.01237	0.3
149.02377	5.5
149.06036	2.8
150.03069	0.6
151.03928	0.4
151.64955	0.2
159.04453	0.2
160.01593	0.6
161.02388	100.0
162.02747	4.0
163.00363	0.3
163.03944	0.6
163.06056	1.5
164.03471	4.4
165.01868	3.0
166.02625	0.4
172.05344	0.2
173.06081	0.4
175.03966	4.2
177.01869	0.4
177.05522	3.8
178.02638	0.7
179.03461	36.4
180.04057	2.3
181.05028	0.7
187.04012	0.3
189.01926	0.3
189.05611	0.5
193.05042	1.5
195.02991	0.4
201.05562	0.5
203.03481	26.5
204.03851	0.7
205.07132	1.3
207.06506	0.3
215.03456	0.3
217.05089	0.8
221.04556	2.9
233.04590	0.4
235.06194	0.7
245.04533	1.2
247.08298	0.4
255.03011	0.4
259.06058	0.4
263.05664	2.8
271.02594	0.9
277.07370	0.3
281.06726	15.4
282.07083	0.6
295.08368	0.2
300.02811	1.4
301.03314	0.3
305.06860	1.2
305.60056	0.2
307.08194	0.5
323.07745	1.2
325.09375	0.6
367.10529	0.6
381.12268	0.3
396.28696	0.3
409.11850	0.5
469.13672	2.8
470.13995	0.3
487.14679	18.6
488.15250	0.9
489.16306	2.7
490.16937	0.3
505.13745	0.3
623.19653	0.3
651.19470	22.0
652.19519	6.8
671.45032	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.2875
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01770	5.3
57.03337	4.4
58.00480	3.2
59.01264	57.4
60.01604	0.4
61.22694	0.4
61.98708	1.1
63.18514	0.4
67.01775	1.1
68.99689	1.0
69.03339	3.0
69.29214	4.1
71.01270	99.5
72.01606	1.3
72.99202	5.1
73.02835	42.3
74.03149	0.5
75.00773	1.9
79.01753	0.3
81.03359	1.4
83.01276	18.3
83.04932	0.4
84.02069	0.6
85.02842	43.0
85.99980	1.2
86.03183	0.8
87.00776	13.0
89.02335	27.9
90.02679	0.3
95.01286	13.3
96.95906	2.2
97.02847	7.0
99.00779	26.4
99.04366	0.9
100.01094	0.9
101.02345	64.2
102.02682	1.3
109.02840	0.8
111.00791	2.8
112.01611	2.3
113.02356	52.9
114.02683	1.2
115.03958	0.5
116.92798	0.5
117.01735	0.4
119.03423	5.3
119.04872	1.8
121.02855	0.4
121.63758	0.4
123.00749	0.4
123.04504	0.5
123.76537	0.3
124.01639	0.5
125.02363	11.0
129.01855	1.9
131.03419	4.0
133.02876	1.3
135.04463	2.6
137.02336	0.7
139.03868	0.5
141.01895	0.9
143.03436	12.9
144.03696	0.4
145.02884	1.6
149.02441	0.7
149.04482	1.7
149.06013	0.8
150.03172	0.7
159.02936	7.7
161.02509	5.9
161.04500	31.4
162.02795	0.4
162.04814	1.0
162.72485	0.3
163.03998	2.6
165.01968	0.6
167.03413	0.7
171.10150	0.6
173.04547	0.6
177.02002	0.5
177.05528	0.4
179.03421	1.4
179.05537	1.0
191.05566	1.5
203.03529	0.7
203.05446	0.4
205.03453	1.1
205.05101	0.9
219.05060	1.7
225.07716	0.6
233.04463	1.0
249.15056	3.2
279.16129	0.6
315.18185	20.7
316.18457	1.6
327.21869	1.1
335.09824	0.7
355.08179	1.1
357.19418	1.2
381.19662	0.4
392.12573	0.6
429.21365	1.2
447.22433	100.0
448.22781	9.6
459.22522	8.9
460.22906	1.4
477.23441	6.8
478.23953	1.0
487.14169	0.4
489.23352	10.6
490.23706	1.0
513.23639	1.3
517.22925	1.1
519.24463	9.7
520.24933	0.9
543.24115	0.4
573.25482	1.4
591.26709	28.9
592.27002	4.5
609.27765	64.8
610.28156	9.5
615.24768	0.4
629.26794	0.7
629.76459	0.5
630.25519	0.4
651.28802	96.3
652.19177	1.1
652.29095	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	649.2003
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01268	87.3
61.55147	5.3
71.01268	100.0
71.59243	10.2
71.63883	5.3
73.02845	29.1
74.34323	5.1
83.01287	25.1
85.02850	41.3
87.00821	13.6
89.02335	21.6
95.01322	9.0
96.95900	8.9
97.02858	7.5
99.00785	24.4
101.02340	82.1
113.02362	55.3
119.03403	6.0
123.00843	5.8
125.02376	16.1
133.02875	12.9
133.78975	6.2
135.04459	24.9
143.03450	17.2
159.02974	7.8
161.02414	32.0
161.04459	27.6
163.93822	5.4
171.27054	5.9
179.03481	14.6
181.03300	7.7
189.29742	6.0
191.05598	19.4
203.03670	6.3
227.23323	5.7
228.13374	6.2
259.23169	5.1
269.10400	54.7
273.70001	5.7
317.30502	5.9
401.14505	65.5
402.14969	6.2
413.14767	41.4
431.15616	21.7
473.16830	38.3
474.16693	7.6
545.18738	15.1
563.19751	46.4
564.20190	12.2
605.21246	46.0
606.20953	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	647.307
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	0.8
57.03329	0.8
59.01269	6.1
61.98721	3.0
62.83492	0.6
70.97843	0.7
70.98180	0.9
71.01273	10.1
72.99200	1.0
73.02840	3.1
80.49891	0.6
83.01277	1.0
85.02835	4.7
87.00774	1.0
87.16840	0.5
89.02340	2.2
95.01270	1.1
96.95901	0.8
99.00793	1.4
101.02343	11.9
113.02353	4.3
119.03427	0.7
119.04955	1.4
125.02382	1.0
133.02869	1.6
134.03670	0.6
134.06061	0.7
135.04424	5.1
137.02393	1.2
143.03419	1.1
145.02888	0.8
160.03905	0.7
161.02396	4.6
161.04477	1.1
162.05577	1.5
163.03949	1.4
165.01906	1.5
176.03452	0.8
179.03474	4.2
195.06593	1.3
225.07741	0.8
231.11415	0.8
235.74516	0.5
240.36266	0.6
252.08917	0.7
267.11499	0.9
269.21240	1.1
287.22351	8.7
300.02765	1.6
311.22183	0.7
329.23410	0.8
392.12173	0.9
431.26605	19.4
432.27008	2.0
443.19281	0.7
449.27649	100.0
450.27985	13.0
468.82562	0.5
473.20941	0.9
473.27612	12.8
474.27957	1.3
479.84906	0.6
485.27499	1.7
491.28796	7.1
492.29025	1.4
508.17352	3.0
533.29907	1.0
551.30969	1.8
612.23755	0.6
629.22827	1.3
647.22375	1.8
647.31934	2.8
648.22839	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	648.1584
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21971	0.9
59.01257	1.7
63.02282	1.3
65.00211	3.3
70.40491	2.1
70.40874	2.6
96.05740	1.1
98.20470	1.2
107.01297	6.5
109.02879	1.9
109.52238	1.1
117.03396	1.5
121.26193	1.0
125.02338	4.3
127.42789	1.1
133.02911	1.3
142.02928	1.6
142.50746	1.0
145.02859	4.9
147.03209	1.6
151.00310	22.5
152.00760	1.5
160.03970	2.2
161.02359	4.6
163.00241	1.5
170.02443	2.6
172.04076	1.6
175.04013	1.8
178.99835	9.9
186.01999	1.5
190.01216	1.1
199.03944	3.5
202.01405	1.3
211.03998	1.9
213.02130	1.3
215.03510	2.6
216.04285	1.2
224.04770	1.3
225.05437	1.4
227.03477	5.4
228.04192	1.2
229.05106	3.3
235.00557	1.2
239.03674	2.6
241.05025	1.7
243.03032	6.7
251.03485	1.7
253.05028	2.6
255.03021	11.0
256.03598	2.2
256.06146	2.6
266.04672	2.7
267.02884	5.8
269.04651	3.2
269.52676	1.1
271.02530	40.1
272.02982	6.2
273.04065	2.6
278.04501	1.2
279.03241	1.6
280.03610	1.5
282.04178	2.2
283.02454	4.2
284.03271	1.6
285.04160	1.8
294.04178	11.5
295.02365	9.3
296.03113	1.9
297.04144	14.3
299.02045	51.7
300.02786	19.4
301.03516	22.6
302.03784	3.6
310.03717	5.2
312.02591	1.4
313.03592	6.0
322.03616	33.7
323.04272	12.0
324.05209	41.8
325.05499	3.9
339.03909	29.0
340.04572	17.7
463.08972	6.0
484.08746	4.2
581.15515	4.4
608.14056	8.7
609.13855	2.0
610.15411	5.1
621.14789	3.4
648.15790	100.0
649.16138	17.2
666.01587	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	645.3088
Annotation	Unknow
Peak:m/z	Relative Intensity
66.63879	0.5
71.57836	0.9
78.84473	0.5
85.02846	0.5
89.84502	0.6
117.03379	22.0
118.03664	0.7
119.04950	6.2
121.02874	5.7
121.03701	0.7
122.68346	0.5
123.04436	1.8
128.20769	0.5
133.02866	1.6
134.03661	0.6
145.02888	98.1
146.03230	4.3
147.91389	0.5
154.42812	0.6
161.02386	0.9
162.03180	3.1
163.03957	5.0
207.25554	0.5
211.07652	4.7
285.15021	2.2
315.16092	100.0
316.16470	9.0
329.14023	70.3
330.14334	6.4
331.15472	1.4
419.18744	0.7
513.48383	0.6
609.23608	3.1
610.23761	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	646.2156
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	7.5
61.98708	1.6
66.88024	0.7
71.01270	6.4
71.58195	0.7
72.83303	0.6
73.02825	1.9
75.00776	0.6
85.02842	3.1
87.00763	1.8
88.06853	0.5
89.02347	4.1
93.77298	0.6
96.95877	1.1
101.02333	2.9
105.03370	1.0
109.02869	0.9
113.02364	2.2
115.03917	0.9
117.03384	2.6
119.03399	2.0
119.04951	3.5
121.02898	1.2
123.04445	1.2
129.19655	0.6
131.03474	1.2
132.02118	2.0
133.02887	32.3
134.03172	7.7
135.03427	1.2
135.04439	16.4
136.04768	2.6
137.02362	1.0
137.06046	0.7
143.03436	0.7
145.02904	9.9
145.04877	1.1
146.03291	0.9
147.04462	10.3
158.06041	0.8
161.02391	100.0
162.02730	32.9
163.02859	3.4
163.06126	0.8
172.04022	1.2
173.02406	13.4
173.04636	0.9
174.05556	2.2
179.03474	12.9
180.03778	2.0
200.03517	25.5
201.03894	1.0
216.95633	0.8
218.04567	2.1
221.04422	0.6
243.06615	2.6
289.21097	0.6
330.64456	0.6
335.08002	0.8
369.28589	0.6
388.48117	0.7
472.22192	0.6
479.12137	2.5
487.14725	0.8
605.18561	0.8
608.20795	55.5
609.21136	8.1
610.20990	6.8
619.20367	1.3
623.19983	0.9
645.68744	2.0
646.21503	37.0
647.21747	7.3
668.18744	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.1247
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42399	1.4
54.52202	1.2
54.72224	1.5
59.01255	5.8
65.00194	1.8
66.26595	1.3
71.01269	1.9
71.59736	1.5
71.60112	2.4
72.99212	1.7
73.02852	1.3
79.85284	1.3
83.01247	1.3
85.02817	2.1
89.02302	1.3
93.03316	1.5
101.02325	3.6
107.01263	3.3
108.59513	1.4
109.02843	2.4
117.03384	7.3
119.03369	2.0
119.04924	2.4
121.02843	1.8
125.02486	1.2
133.02861	11.0
135.04428	7.3
139.00331	2.1
139.21767	1.4
145.01828	1.9
145.02884	21.3
146.03239	2.3
148.01506	1.5
149.06038	8.8
151.00305	12.3
161.02390	43.8
162.02678	5.6
163.00290	1.6
178.99849	7.7
226.02710	1.6
227.03270	1.7
229.01309	2.0
236.88156	1.4
243.03098	6.8
245.04590	1.5
255.03012	16.4
271.02539	39.4
272.02988	4.7
299.01999	2.9
300.02820	84.2
301.03525	31.9
461.16827	2.4
509.13968	1.7
607.20483	32.9
608.20929	7.8
609.14459	100.0
610.14941	14.7
627.15472	1.5
645.15344	1.9
646.13599	3.0
653.02985	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	645.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01775	1.2
55.48327	1.0
57.03343	1.5
58.00480	1.7
59.01266	37.6
61.98725	6.9
69.23537	11.4
71.01273	33.0
72.99216	2.2
73.02840	4.2
83.01282	3.8
85.02841	13.1
87.00784	3.3
89.02335	37.8
95.01281	2.9
96.95905	2.3
97.02839	1.3
99.00802	4.6
101.02344	27.8
113.01617	2.2
113.02357	26.5
117.03368	1.6
119.03416	12.0
125.02354	4.2
131.03374	5.0
133.02867	3.8
135.04460	5.1
137.02373	3.2
138.05504	1.2
143.03464	4.5
149.02391	1.4
149.04521	6.2
149.06000	4.2
150.03192	2.1
151.04002	1.6
151.07570	2.0
159.42332	1.0
161.02429	11.6
161.04480	7.1
162.02760	2.0
163.04010	1.3
165.01874	11.6
168.97337	1.0
175.04059	1.0
176.04730	1.6
179.03487	9.0
179.05530	6.1
179.06956	1.3
180.04265	6.0
180.05542	1.0
191.05617	4.1
194.05838	4.5
195.06613	13.0
203.03593	1.3
209.08202	9.6
210.05331	1.0
225.07674	6.1
233.06686	6.3
241.09853	1.7
267.11508	3.1
285.04163	1.2
293.08954	1.3
294.09549	1.0
335.88431	1.2
392.12299	1.1
446.13617	1.2
447.22458	23.1
448.22925	2.3
477.23541	27.1
478.23785	2.2
597.23444	4.7
609.27765	100.0
610.28107	16.0
627.21014	1.7
644.78741	5.4
645.25549	25.3
645.35895	5.4
646.25525	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	645.1247
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42399	1.4
54.52202	1.2
54.72224	1.5
59.01255	5.8
65.00194	1.8
66.26595	1.3
71.01269	1.9
71.59736	1.5
71.60112	2.4
72.99212	1.7
73.02852	1.3
79.85284	1.3
83.01247	1.3
85.02817	2.1
89.02302	1.3
93.03316	1.5
101.02325	3.6
107.01263	3.3
108.59513	1.4
109.02843	2.4
117.03384	7.3
119.03369	2.0
119.04924	2.4
121.02843	1.8
125.02486	1.2
133.02861	11.0
135.04428	7.3
139.00331	2.1
139.21767	1.4
145.01828	1.9
145.02884	21.3
146.03239	2.3
148.01506	1.5
149.06038	8.8
151.00305	12.3
161.02390	43.8
162.02678	5.6
163.00290	1.6
178.99849	7.7
226.02710	1.6
227.03270	1.7
229.01309	2.0
236.88156	1.4
243.03098	6.8
245.04590	1.5
255.03012	16.4
271.02539	39.4
272.02988	4.7
299.01999	2.9
300.02820	84.2
301.03525	31.9
461.16827	2.4
509.13968	1.7
607.20483	32.9
608.20929	7.8
609.14459	100.0
610.14941	14.7
627.15472	1.5
645.15344	1.9
646.13599	3.0
653.02985	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	644.3244
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20444	0.6
61.98690	0.6
69.81309	3.7
69.81717	1.2
72.18321	0.7
72.99190	1.1
75.00762	0.8
81.94875	0.6
93.03348	2.3
145.74895	0.7
153.12762	1.4
197.11783	1.0
200.01125	0.9
206.06009	0.8
207.06841	6.2
208.07530	1.9
209.06030	1.0
213.01842	1.5
216.03033	14.8
217.03314	0.8
234.05655	2.3
236.07127	1.4
242.00967	2.7
248.10443	0.7
261.05530	2.0
291.05545	0.9
292.06229	1.0
305.04529	2.1
325.14517	3.5
335.04233	0.9
336.05103	2.0
349.18002	1.6
367.15503	4.6
379.14374	2.9
380.14706	1.2
388.19278	9.4
389.19113	0.7
417.17596	0.9
432.18268	1.4
446.19595	0.8
472.17746	76.6
473.18015	12.8
490.19077	1.9
532.38727	0.8
543.31622	2.2
570.32593	2.0
598.31561	1.0
599.30200	2.2
626.31348	5.7
644.32416	100.0
645.32800	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	643.2418
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	1.6
60.87175	0.4
61.98721	3.5
67.01797	1.1
69.92106	1.5
69.92519	0.7
71.01266	1.7
71.69748	0.5
73.02860	0.4
74.98990	0.8
76.07106	0.5
81.03365	0.6
82.26568	0.4
85.02840	0.5
87.00802	0.4
89.02338	1.0
93.03352	0.7
93.75772	0.4
95.01283	0.5
95.04333	0.4
95.04926	0.9
96.95934	3.4
101.02312	0.7
109.02854	1.5
113.02272	0.4
119.04932	0.5
121.02908	0.7
122.03706	0.5
123.00833	0.6
123.04424	1.3
125.02356	1.9
133.02858	1.4
135.04442	1.9
136.01625	1.5
136.05247	2.1
136.07574	0.5
137.02370	18.3
137.06042	0.5
138.02704	0.7
139.00288	0.4
143.03638	0.4
145.02853	1.1
149.02423	1.0
149.06084	0.8
150.03166	0.6
151.00337	3.2
151.03944	1.8
152.01053	0.6
152.04639	0.5
161.02423	3.9
162.02701	0.5
163.03970	0.8
164.01131	1.6
165.01886	100.0
165.09186	1.1
166.02608	9.7
167.03465	3.0
168.03769	1.1
175.03961	0.7
177.01956	0.6
177.05476	0.5
179.03462	16.3
180.04247	59.5
181.04994	10.3
182.05330	0.6
187.04022	0.6
191.03447	0.4
192.04375	0.5
194.05835	2.9
195.02995	2.7
195.06606	83.2
196.06963	4.2
203.03532	0.9
205.05020	1.3
207.06570	0.5
210.05322	14.0
211.05630	0.6
218.05818	0.6
221.08247	0.4
225.07693	83.0
226.08032	4.5
233.08162	1.3
315.08640	2.5
316.09097	2.6
317.09399	2.2
345.09766	0.7
346.10318	0.8
347.10403	0.9
358.15814	0.4
372.12390	0.5
373.13055	1.2
387.10684	1.3
387.14819	6.0
388.15363	0.6
392.12463	0.7
392.62527	0.6
402.13168	0.7
403.14044	1.0
417.15637	11.4
418.15884	1.8
433.15002	2.8
434.14920	0.7
476.06992	0.4
481.35751	5.8
506.90549	0.4
595.22064	3.7
596.22150	0.9
643.25183	3.1
643.38055	1.0
643.76263	0.6
644.25146	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2413
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10892	0.3
58.36809	0.3
59.01260	0.8
59.84261	0.3
61.98714	1.7
67.01788	1.0
68.99724	0.4
69.83054	0.7
69.83470	1.2
71.01271	1.2
74.98974	0.4
81.03356	0.5
93.03374	0.4
96.95914	0.5
101.02334	0.5
107.04951	0.6
108.02116	0.4
109.02869	3.9
110.68047	0.3
119.04951	0.4
121.02864	0.7
123.00819	1.2
123.04387	0.6
125.02340	0.4
131.04956	0.6
133.02873	1.2
135.04454	1.1
136.01564	1.8
137.02377	25.9
138.02719	0.9
138.92427	0.3
139.00354	0.3
139.03914	0.5
145.02939	0.5
147.00856	0.4
148.01616	0.4
149.02399	0.9
150.03189	1.9
151.00319	5.6
151.03938	4.1
151.07532	0.3
152.01045	0.6
152.04787	1.5
153.01892	0.6
153.05466	0.5
159.04526	0.5
161.02394	2.7
162.03151	0.7
163.03943	0.9
164.01103	2.8
164.04741	0.9
165.01886	100.0
165.05521	3.2
166.02658	17.0
166.06244	0.4
167.03406	2.5
168.04123	0.3
174.03220	0.3
175.03975	1.6
176.04669	0.7
177.01894	1.4
177.05498	1.5
178.02783	0.5
179.03464	23.5
179.07021	1.0
180.04247	56.9
180.35466	0.3
181.05019	21.7
182.05359	1.0
184.03746	0.7
187.03941	2.0
190.02631	0.5
190.06319	0.9
191.03439	0.7
192.04230	1.1
193.05043	0.7
194.05824	3.9
195.03000	2.9
195.06606	75.2
195.98242	0.4
196.06966	3.9
202.06297	0.7
203.03542	0.4
205.05063	5.1
205.08856	0.4
206.05763	0.6
207.06599	1.0
210.05324	10.7
210.84917	0.3
211.05789	0.7
219.06604	0.8
220.07385	2.9
221.08154	0.9
223.06390	0.3
225.07692	55.7
226.08047	3.1
235.09811	0.7
244.11754	0.3
274.24274	0.4
327.08813	0.4
341.10132	0.4
342.87122	0.4
344.08945	0.6
345.09735	0.6
355.08096	0.5
359.11469	2.1
369.09662	0.3
371.11240	0.9
372.12137	0.9
374.37787	0.3
386.13620	1.1
387.10742	2.7
387.14987	6.7
388.11182	0.5
388.15601	0.4
402.13446	1.7
403.14014	1.8
416.14886	1.4
417.15634	28.9
418.15933	3.8
565.18860	2.7
566.17999	0.6
577.21173	0.5
580.19568	0.9
595.21979	40.4
596.22321	7.6
643.25793	2.4
643.37646	0.5
644.24603	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41397	0.2
54.01850	0.2
55.01764	0.3
57.03339	0.3
58.00461	0.3
59.01266	8.7
61.14318	0.2
61.98715	0.7
71.01270	4.5
72.99184	0.5
73.02840	1.3
74.51387	0.2
78.95805	0.5
83.01274	0.5
85.02840	1.1
87.00768	1.1
87.04404	0.7
89.02336	4.5
96.95872	0.3
96.96806	0.3
97.02821	0.3
99.00771	0.8
101.02343	5.4
103.03936	0.3
103.13634	0.3
113.02363	1.9
115.03927	0.4
117.03378	20.2
118.03720	0.9
119.03422	3.2
119.04942	4.4
121.02847	0.5
123.04424	1.4
124.16898	0.2
131.03448	1.2
133.02875	0.8
133.06512	0.8
135.04446	16.5
136.04782	0.7
143.03456	1.1
145.02888	100.0
146.03230	4.9
152.99467	0.3
153.05510	1.2
161.02345	1.5
161.04674	0.5
161.06024	2.4
163.03972	4.2
163.06091	0.5
165.05545	0.4
171.10185	0.3
177.05423	0.3
179.03461	0.4
179.05524	0.3
205.05049	2.1
205.07169	1.0
229.85194	0.4
238.73862	0.3
265.07236	1.8
315.10913	6.8
316.11127	0.5
318.03412	0.3
327.21680	0.3
381.71448	0.3
461.16714	9.2
462.16946	0.8
481.21213	0.4
529.43304	0.3
554.72656	0.3
605.33636	0.4
607.20447	67.0
608.20868	11.1
608.28754	0.3
643.27588	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
56.89052	0.3
59.01269	10.3
61.98713	0.8
69.36359	3.5
71.01268	4.9
73.02837	1.5
75.28537	0.4
85.02850	1.3
85.81297	0.4
87.00771	1.9
89.02339	5.1
90.31371	0.4
99.00784	1.0
101.02342	5.2
103.03963	0.4
113.02368	1.2
115.03859	0.5
117.03382	21.4
118.03687	0.8
119.03436	3.4
119.04936	5.1
123.04427	1.5
127.08701	0.5
131.03453	1.5
133.02876	2.4
133.06609	0.6
135.04456	18.2
136.04823	0.5
143.03456	1.0
145.02895	100.0
146.03215	4.4
153.05511	1.1
153.83165	0.4
160.24239	0.4
161.02393	7.4
161.05992	2.0
163.03955	4.0
177.05553	0.7
179.03448	0.9
195.24139	0.4
196.10814	0.4
205.05077	2.4
205.07216	1.3
210.07022	0.4
210.65654	0.4
217.36452	0.4
229.39592	0.5
265.07336	2.2
271.47037	0.4
304.60489	0.4
315.10950	8.1
461.16705	10.0
462.17093	1.2
554.81879	0.7
607.20483	80.2
608.20795	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	642.1327
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66234	0.3
51.72482	0.3
59.01262	0.9
61.98716	4.6
64.92327	0.4
65.00220	0.5
71.01246	0.4
83.01293	0.4
95.38407	0.3
96.76253	0.3
102.53938	0.3
107.01305	0.9
108.02074	0.9
109.02850	0.5
110.98502	0.4
124.01575	0.5
125.02397	0.5
131.86655	0.4
133.02878	1.0
135.00845	0.6
148.01604	1.4
151.00301	3.3
160.03650	0.3
161.02415	2.4
163.00305	0.5
163.37086	0.4
164.01128	0.5
178.99840	3.9
179.03564	0.4
199.03899	0.6
216.04285	0.5
226.02724	1.2
227.03468	1.8
229.01653	0.4
243.03021	8.5
244.03432	1.1
253.99803	0.4
254.02159	2.6
255.03035	23.9
256.03314	1.6
271.02542	49.6
272.03012	4.6
299.02151	1.3
300.02826	100.0
301.03250	10.4
307.57501	0.4
579.13684	86.3
580.14014	13.4
643.12683	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00458	0.6
59.01266	8.3
65.43900	0.6
69.76723	2.7
71.01272	6.0
72.99174	0.8
73.02834	1.6
75.00764	1.3
83.53043	0.4
85.02853	1.4
87.00755	0.8
87.04390	0.7
89.02360	3.6
95.83759	0.5
98.19868	0.7
101.02351	4.1
113.02382	3.4
115.03938	0.6
117.03378	26.1
118.03747	1.0
119.03412	2.9
119.04932	4.4
123.04448	1.0
125.02340	1.1
126.03436	0.4
131.03419	1.1
133.02902	1.1
135.04457	13.5
136.04704	0.6
143.03441	1.1
145.02892	100.0
146.03253	4.1
153.05492	0.8
161.02428	3.2
161.06110	0.5
163.03931	2.7
163.06059	0.6
179.03462	0.7
205.07127	0.7
209.08125	0.5
249.07819	1.4
261.07767	0.8
297.09976	0.8
311.92209	0.4
315.10992	7.0
316.11148	0.5
387.59775	0.5
412.01266	0.5
443.15900	0.8
461.16763	13.0
462.17310	1.1
481.20950	0.6
487.14786	1.3
599.24353	0.5
607.20453	71.9
608.20856	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	641.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01269	9.9
59.01521	1.9
71.01263	2.3
71.59560	2.1
78.22396	1.6
79.95611	2.5
80.04940	6.8
80.96413	3.1
82.06806	1.4
82.41664	1.2
84.06136	1.3
86.29980	1.6
90.08774	1.4
94.97961	1.3
104.04934	2.5
106.06485	2.7
107.03669	4.5
120.08129	2.4
121.02969	1.5
121.05206	1.7
122.06039	37.4
123.06437	1.7
125.02342	1.2
130.06609	1.7
132.04427	3.1
134.06027	13.6
138.35313	1.3
139.02675	2.0
140.40468	1.1
148.03891	2.0
150.06755	5.4
152.07115	48.4
153.07466	2.1
158.42259	1.2
160.06357	5.9
161.02397	3.4
161.04771	1.4
163.07626	1.8
174.05510	4.2
190.05066	3.0
213.10332	33.9
214.10573	2.5
224.09402	2.2
225.00676	1.9
225.10266	1.7
226.11024	2.7
237.10295	3.4
239.11905	19.9
241.13484	16.6
242.13922	1.9
245.12970	9.5
251.11868	2.5
265.09918	3.8
285.12521	63.0
286.12759	5.7
290.09116	1.4
293.12915	10.8
294.13092	1.9
295.10925	4.3
309.43829	1.4
313.11969	5.1
323.10379	9.6
325.12198	3.4
328.10922	3.3
328.14606	1.7
339.09747	2.3
342.12576	2.0
343.13116	4.7
344.13904	4.1
355.12836	7.2
356.13913	2.9
356.18140	2.0
357.14932	4.1
358.15747	20.7
359.15860	3.7
369.14798	2.0
372.17145	1.6
382.16052	1.7
384.13553	3.9
385.14191	1.9
400.16769	15.2
401.17142	2.5
412.16656	3.6
464.35025	2.4
471.15530	4.7
479.37598	9.8
497.25766	3.2
523.23468	12.5
524.24023	2.7
537.24731	2.4
565.24689	84.2
566.25043	18.9
568.23145	4.2
609.23669	100.0
610.23914	20.3
641.26123	25.7
642.26270	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2103
Annotation	Leucocyanidin 4',7-dimethylether 3-O-rutinoside
Peak:m/z	Relative Intensity
57.03331	0.8
58.00469	1.2
59.01262	24.8
61.98723	1.2
71.01268	17.8
71.59800	0.8
72.99194	16.0
73.02836	4.1
75.00762	1.6
77.78516	0.8
81.03307	0.9
83.01270	1.9
85.02849	6.1
85.03747	0.7
87.00761	4.4
87.04397	1.4
89.01823	1.4
89.02332	14.6
93.03340	1.9
95.01289	1.4
97.02885	0.7
99.00784	1.0
101.02345	14.2
103.03899	1.8
107.04942	0.8
108.02103	2.0
109.02842	3.2
113.02364	7.7
115.03917	1.8
119.03400	10.8
121.02853	1.8
122.03650	1.2
123.04434	18.1
124.01617	1.0
125.02369	2.4
131.03403	4.6
132.02089	0.8
133.02873	25.8
134.03601	3.4
135.04446	83.9
136.01570	2.7
136.04779	3.4
137.02371	100.0
138.02696	3.6
139.04019	4.4
143.03444	7.4
145.04990	1.0
147.04442	1.6
149.02399	7.1
150.03079	1.4
151.03943	13.4
153.01933	1.0
153.05493	3.0
161.02390	82.8
161.32314	0.8
162.02724	6.4
163.03975	1.2
163.06059	2.5
164.07127	1.2
165.05516	1.1
175.04008	0.8
177.01889	3.1
177.05559	0.9
178.02228	0.7
179.03458	26.7
180.03856	1.2
197.04538	10.5
205.07126	3.5
206.08231	2.2
209.04564	5.0
221.04524	1.7
239.05585	1.8
241.97237	0.8
297.09909	1.0
315.10913	17.0
316.11353	1.2
389.52539	0.8
443.15805	3.9
461.16733	23.6
462.16977	3.7
503.17712	4.4
611.19916	24.8
612.20386	3.2
623.19965	57.6
624.20398	10.4
641.20978	80.8
642.21155	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	641.2105
Annotation	Unknow
Peak:m/z	Relative Intensity
57.51665	0.4
58.00486	0.5
59.01266	10.4
70.60490	1.3
71.01267	7.2
72.99207	1.3
73.02841	2.3
81.03367	0.7
85.02848	2.2
87.00770	1.4
87.04433	0.5
89.02343	6.9
93.03392	0.8
97.02867	0.7
101.02351	6.9
101.69051	0.4
103.03912	0.5
108.02080	0.7
109.02879	1.7
113.02353	2.7
115.03896	0.7
119.03424	4.6
121.02905	0.6
123.04459	2.6
125.02385	0.8
131.03456	1.5
132.02068	1.2
133.02882	26.1
134.03244	0.8
135.04456	30.8
136.01590	1.2
136.04796	1.6
137.02376	100.0
138.02719	4.2
139.03952	1.2
143.03429	2.2
149.02365	1.8
150.03053	0.5
151.03932	0.5
153.05513	1.8
161.02393	85.3
162.02727	4.1
177.05478	0.5
179.03497	2.4
179.05052	0.4
205.07173	2.2
221.04630	0.5
249.07695	0.7
261.07675	0.6
297.09879	0.7
315.10944	8.6
316.11316	0.7
330.96365	0.4
401.09125	1.2
431.09995	1.0
443.15439	0.6
461.16763	16.6
462.17197	1.7
487.14664	0.6
503.17776	4.9
521.12842	0.9
531.17560	3.0
551.13892	0.7
611.19983	6.4
612.19543	0.6
623.19940	62.7
624.20349	9.7
641.20941	14.9
642.22046	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	641.2105
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57762	0.7
57.03328	1.1
58.00470	1.6
59.01264	19.3
65.22318	0.8
69.94016	4.3
71.01268	14.5
72.62362	0.8
72.99199	2.2
73.02853	3.8
81.03316	0.9
83.01274	0.9
85.02844	5.2
87.00782	3.7
87.04379	1.4
89.02341	9.6
93.03356	2.3
95.01298	1.2
101.02347	11.5
103.03929	1.8
106.20016	0.7
107.04984	0.9
108.02114	1.0
109.02843	2.1
113.02354	7.2
115.03902	1.8
117.03400	1.0
119.03426	5.8
121.02833	1.2
123.04451	9.8
125.02318	1.3
131.03427	2.9
132.02110	1.5
133.02887	28.2
134.03241	1.2
135.04451	43.4
136.01585	2.1
136.04771	2.8
137.02380	100.0
138.02721	3.5
139.03922	3.4
143.03435	3.5
149.02411	8.5
150.03113	1.6
151.03986	1.4
153.05528	1.5
161.02402	84.3
162.02753	8.1
163.02879	2.2
163.06059	2.8
174.42271	0.8
177.01894	1.7
178.02193	1.1
179.02347	0.7
179.03488	10.1
180.03799	0.8
181.04939	0.8
191.24945	0.7
205.07141	3.5
206.08177	1.3
209.04480	2.3
210.51617	0.8
221.04564	1.5
230.84799	0.8
255.23363	0.8
293.08826	1.8
296.48581	0.8
297.09711	1.3
315.10977	10.7
316.11176	1.4
325.53577	1.0
343.08411	1.0
440.50830	0.8
443.15747	2.4
448.14673	1.0
461.16708	17.7
462.17114	2.3
463.12088	1.0
479.16748	1.5
503.17853	3.2
531.17395	1.0
534.56744	0.8
611.19861	23.1
612.20410	5.6
623.19928	43.0
624.20538	7.6
641.20831	26.5
642.21149	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	641.1891
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03334	1.3
58.43633	0.3
59.01273	1.8
61.98719	1.8
65.00204	0.5
67.01778	0.5
67.39204	0.3
68.99693	1.0
69.03336	1.0
69.28436	1.3
69.28861	2.3
71.01276	0.9
74.98996	0.3
79.95626	0.6
80.02568	0.3
80.96413	1.4
81.03349	10.2
83.01268	3.6
85.02818	0.4
89.02325	0.4
93.03360	4.9
94.98014	0.5
95.01286	1.2
95.04927	8.4
97.02834	4.6
99.04424	4.5
101.02274	0.3
105.03329	0.4
107.01225	0.3
107.04916	0.9
108.02093	0.6
109.02869	1.0
111.04413	0.7
111.85292	0.3
113.02354	1.1
119.04944	7.2
121.02864	1.5
121.06535	0.8
122.03648	1.3
123.00833	0.4
123.04436	16.3
123.51544	0.4
124.01599	0.6
124.04826	0.3
125.02363	18.9
126.02694	0.6
133.02885	0.9
135.04462	2.5
137.02382	4.0
137.06009	10.7
139.03928	3.2
141.05490	0.9
145.02856	0.4
145.06493	0.8
147.04449	1.8
149.02361	1.8
149.05995	1.7
151.00305	0.6
151.03905	1.3
153.05545	0.7
155.03479	0.6
161.02396	1.7
163.00371	0.3
163.03952	0.9
163.07549	0.7
164.04761	0.5
165.01880	0.7
165.05533	5.8
166.02675	0.6
167.03448	43.3
168.03787	1.8
177.01932	0.5
177.05553	0.5
179.03453	8.4
180.03957	0.8
181.05029	1.7
189.05515	4.4
191.03412	1.0
193.01360	0.6
193.05011	1.4
197.04564	3.4
205.01367	0.4
205.05116	0.7
206.02161	0.4
207.02911	0.6
209.04533	12.8
210.04889	0.8
221.04575	2.7
225.00691	0.5
225.85661	0.3
229.08766	0.4
231.06630	0.7
233.04669	0.7
239.05646	1.2
251.74170	0.4
271.09976	0.4
273.07742	8.6
274.08038	0.7
283.26593	0.4
285.07727	2.7
287.09329	0.4
299.09171	0.4
313.07370	0.6
315.08807	100.0
316.09119	9.7
323.55646	0.4
327.08740	1.4
345.09866	29.6
346.10193	2.9
357.09711	1.0
381.10013	0.6
399.10941	1.8
417.11984	0.5
623.18243	0.7
641.18707	1.6
641.28174	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	639.2979
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27113	0.2
59.01263	1.7
61.07620	0.2
69.88139	0.8
79.34834	0.2
93.03371	0.5
98.20585	0.2
123.04438	0.3
131.59923	0.2
163.03922	0.3
183.08049	0.5
189.38281	0.2
209.06052	0.4
210.04837	0.4
210.06860	9.7
211.07626	100.0
212.07968	6.3
212.10022	0.3
269.07242	0.2
277.21841	0.8
277.52539	0.2
475.94238	0.2
537.70087	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.1375
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61363	0.5
59.01285	2.6
63.02283	3.1
65.00207	8.6
67.01791	1.8
68.01975	0.5
68.99723	1.6
69.00925	0.6
70.93032	1.0
71.01273	3.2
72.99225	0.7
73.02861	1.8
79.01811	1.2
80.72449	0.6
81.03402	0.8
83.01289	3.9
85.02856	1.1
87.00807	1.2
89.00246	1.0
89.02382	0.9
91.01823	1.0
92.99757	0.9
93.03398	2.1
94.12262	0.6
95.01288	4.4
95.03501	0.5
96.99249	1.6
97.02884	0.6
99.00816	2.4
101.02402	0.8
106.00506	3.3
107.01300	9.4
108.02185	1.3
109.02865	11.1
110.00040	2.3
111.00799	8.6
117.03394	0.6
118.96900	0.6
119.01279	0.6
119.04985	1.6
120.99238	1.3
121.02839	3.1
123.00797	7.9
123.01545	0.6
123.04489	1.6
124.01617	2.5
124.98713	3.3
125.02382	3.9
131.03482	0.7
131.04967	1.4
132.02129	1.3
133.02876	5.6
134.00035	1.1
135.00803	2.9
135.04462	2.1
136.01622	0.7
136.98779	2.4
137.02385	2.8
137.99500	1.2
139.00311	8.1
139.03987	1.7
140.01056	1.6
141.01901	2.6
143.03317	0.5
143.04970	2.6
145.02919	2.9
146.03664	0.8
147.00830	1.1
147.04512	2.3
148.01585	2.6
148.98769	2.9
149.02379	5.8
149.99542	6.2
150.03023	0.8
151.00314	25.2
151.03957	0.8
152.01103	4.2
153.01868	5.5
153.99052	0.7
154.99831	1.7
155.05019	0.9
157.02913	1.5
159.04451	4.9
161.02390	7.9
161.06110	0.6
162.02831	1.2
163.00304	4.5
163.03952	3.3
163.06158	0.7
164.01134	1.4
164.98241	2.7
165.01892	2.1
165.99046	2.6
166.99834	3.5
168.00616	4.7
169.01404	4.7
169.02797	1.3
171.04436	5.8
173.02391	3.0
174.03145	1.4
175.03969	6.7
176.01146	1.5
176.98322	1.1
177.01875	3.6
177.05536	1.4
177.99039	9.7
178.99820	32.0
179.03372	1.3
180.00330	1.6
181.01413	1.4
181.98624	1.2
183.04488	2.0
185.02406	2.2
186.03177	0.8
187.00362	0.7
187.03961	10.4
188.04453	0.8
189.01880	5.9
190.02681	2.1
190.99876	1.8
191.03545	3.2
192.00597	2.3
193.01379	4.2
194.01962	0.6
194.99365	3.2
197.02483	1.0
198.03163	0.9
199.04016	6.8
201.01910	4.3
202.02716	2.5
203.00334	0.6
203.03490	12.9
204.04176	2.7
204.97771	1.7
205.01326	3.0
205.05054	2.2
205.98557	1.4
206.02203	2.0
206.99373	3.0
207.02986	2.4
208.00165	1.6
209.00861	4.3
213.01903	2.9
214.02734	2.6
215.03467	9.2
216.04117	1.1
217.01433	2.8
217.05083	1.6
218.02092	1.0
219.02948	2.9
222.98831	2.8
223.99545	1.8
225.02016	1.0
227.03497	4.1
229.01508	3.5
230.02213	2.8
231.02977	8.4
232.00092	0.6
232.03729	6.3
233.00989	1.3
233.04552	8.9
241.01474	3.2
242.02226	3.0
243.02983	17.1
243.06758	0.8
244.03575	1.6
245.00864	3.1
245.04515	3.3
246.01720	1.6
247.02519	2.7
249.03976	1.0
253.01517	0.7
255.03032	2.5
256.03394	0.9
257.01050	2.3
257.04614	0.8
258.01770	3.7
259.02533	9.8
260.03210	2.0
261.04031	3.7
269.00937	3.3
270.01782	1.8
271.02539	37.2
272.03067	4.5
273.03961	1.7
275.01898	0.7
276.02786	0.7
286.01166	3.5
287.02042	39.0
288.02646	8.0
289.03601	6.8
297.00464	9.5
298.00766	1.2
299.02020	11.6
300.02762	10.0
301.03564	8.3
302.03964	1.0
303.01492	1.3
305.03067	1.7
314.00754	2.3
315.01541	100.0
316.01926	11.3
317.03110	5.1
332.01859	8.7
333.02536	7.5
357.02084	0.8
463.08960	1.9
479.08490	1.2
479.15707	1.9
489.12476	1.8
501.12485	4.8
505.11954	4.8
506.12744	1.3
513.12360	0.9
515.13831	0.8
517.11597	1.1
523.14105	0.7
529.12213	2.2
541.15973	3.8
542.15625	1.0
557.15521	0.7
569.15210	2.9
579.13660	0.7
595.13080	2.1
597.14777	6.9
613.14166	3.3
623.12610	10.8
624.12634	2.2
641.13538	48.7
642.13641	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	639.2881
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01767	4.2
57.03342	3.6
58.00492	2.3
59.01265	51.4
60.01587	0.6
65.00906	0.3
67.01797	0.4
69.03337	1.2
70.89561	1.0
71.01270	70.1
72.01601	1.1
72.99195	3.9
73.02836	16.1
75.00760	0.6
83.01276	11.3
84.02065	0.5
85.02845	29.7
86.03181	0.8
87.00771	3.4
89.02339	31.2
90.02671	0.3
95.01289	7.0
97.02848	2.9
99.00787	7.9
100.58504	0.3
101.02345	50.4
102.02690	1.1
107.01207	0.3
112.01543	0.5
113.02354	33.3
114.02679	1.1
119.03421	11.8
125.02380	5.4
129.01817	1.1
131.03427	2.4
133.02907	0.5
143.03426	7.3
145.02872	1.1
145.59248	0.4
149.04518	0.5
149.06006	2.0
159.02928	3.8
160.76599	0.3
161.02559	1.6
161.04500	19.2
162.04836	0.6
163.03973	0.4
177.01816	0.3
179.05560	4.9
188.61865	0.3
192.92790	0.3
205.03514	0.6
221.06659	0.7
230.27167	0.3
249.15073	0.5
305.08905	0.6
315.18182	8.8
315.21725	0.6
316.18713	0.5
375.02777	0.4
447.26184	0.5
477.23511	100.0
478.23831	12.2
579.30157	1.9
639.28809	84.8
640.29150	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	639.2677
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03336	0.4
59.01268	3.8
61.98717	2.7
71.57815	0.4
72.99167	0.2
73.02836	1.4
73.49653	0.2
76.89022	0.2
83.01298	0.9
85.02849	2.3
87.00784	0.8
89.02356	1.5
93.03359	0.2
95.01294	0.4
96.41683	0.2
96.95916	0.5
97.02888	0.3
99.00780	0.5
101.02344	3.1
105.03356	0.4
107.04932	0.6
113.02354	2.5
113.02994	0.3
117.03374	1.6
119.03397	0.6
121.02942	0.3
123.04453	0.7
125.02386	0.6
132.02098	1.8
133.02885	32.7
134.03232	1.1
135.04453	13.1
136.04860	0.8
137.02383	0.5
143.03419	0.3
145.02881	0.7
149.06026	14.3
150.06371	0.7
159.04430	0.4
161.02397	100.0
162.02740	4.9
163.03938	0.4
173.06079	0.2
175.04013	0.4
177.05504	0.5
179.03462	8.0
180.03792	0.3
190.11403	0.3
190.50279	0.3
199.97963	0.2
202.06406	0.4
209.11830	1.2
211.13474	0.3
221.04599	0.3
281.06775	0.5
283.13489	0.5
311.11594	0.5
331.15588	1.1
345.15930	0.5
370.49374	0.2
407.15417	1.8
407.65280	0.4
416.15884	0.9
416.66019	0.5
477.21436	0.8
477.32178	0.8
534.20380	1.6
534.70935	0.7
630.25830	0.3
639.26727	67.7
640.27057	12.4
657.37952	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.2675
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19056	0.2
55.01761	0.3
55.11048	0.2
57.03330	0.4
59.01265	3.1
59.43420	0.2
61.98724	1.2
71.00896	0.4
71.58987	0.3
72.01539	0.2
72.97414	0.4
72.99198	0.7
73.02840	1.2
76.80647	0.2
81.03345	0.2
83.01265	1.1
85.02840	2.6
87.00780	0.4
89.02352	1.1
89.03808	0.3
95.01292	0.6
95.15743	0.2
96.95936	0.4
99.00792	0.4
101.02349	3.0
105.03349	0.3
107.04922	0.5
109.02887	0.3
113.02346	2.2
116.92788	0.3
117.03355	1.5
118.98058	0.4
119.03455	0.3
119.04935	0.6
121.02856	0.3
123.04449	0.7
125.02357	0.2
129.01727	0.2
132.02069	1.5
133.02881	31.0
134.03096	1.2
135.04445	13.1
136.04880	0.3
137.02345	0.8
143.03487	0.3
145.02896	1.0
149.02438	0.3
149.06027	1.2
152.99571	0.3
158.39575	0.2
159.02983	0.3
159.04451	0.3
161.02388	100.0
162.02750	4.5
163.04013	0.4
175.04051	0.3
177.05519	0.4
178.02596	0.3
179.03462	7.6
180.03731	0.4
185.80826	0.2
191.05595	0.6
191.10797	0.8
202.06281	0.3
203.03462	0.5
209.11801	0.4
211.13498	0.3
212.71376	0.2
219.94690	0.2
251.05415	0.2
281.06726	0.3
300.02744	0.3
313.07129	0.3
315.18210	0.3
323.07965	0.3
383.09619	0.2
404.78702	0.2
407.15488	0.4
416.16061	0.3
461.16711	0.3
477.21524	0.4
477.32404	1.7
482.03482	0.2
491.86652	0.2
534.20654	0.3
578.42395	0.3
591.20245	0.2
639.26721	68.0
640.27057	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	639.1949
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44767	0.3
51.39878	0.3
52.12725	0.3
58.00491	0.3
58.75357	0.3
59.01265	7.2
68.22555	0.3
69.76017	0.5
69.76421	1.5
71.01269	5.9
72.99203	0.5
73.02837	1.1
74.34398	0.3
75.00772	0.4
75.67687	0.3
79.02134	0.3
85.02837	2.1
87.00781	1.2
89.02340	5.1
96.95911	0.6
98.02383	0.5
98.20439	0.5
98.95467	0.8
99.00789	0.7
101.02333	5.7
105.03378	0.7
107.04964	0.4
113.02368	3.2
115.01817	0.3
117.03377	0.7
119.03429	3.1
119.04864	0.4
121.02897	0.3
123.04433	2.7
125.02375	0.9
131.03423	1.1
132.02086	1.7
133.02881	39.0
133.92487	0.3
134.03281	1.2
135.04448	23.0
136.04797	0.8
137.02332	0.3
143.03421	0.6
149.02377	0.9
150.33305	0.4
151.03946	0.4
153.05527	1.8
159.02951	0.4
161.02391	100.0
162.02718	4.0
163.03966	0.6
177.01906	3.8
179.03458	5.5
179.05598	0.7
203.03401	0.4
221.06656	0.8
222.77208	0.3
249.07751	0.9
251.39500	0.3
261.07748	0.7
273.97714	0.3
279.08841	0.9
297.09894	1.7
315.10974	4.8
323.07663	0.5
341.08765	0.6
459.15204	0.4
461.16895	1.3
467.11984	1.1
477.15015	17.5
478.14899	2.1
503.14200	1.1
571.17078	0.3
595.20721	0.5
621.18408	0.5
639.19434	42.9
640.19659	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	639.1943
Annotation	Suspensaside
Peak:m/z	Relative Intensity
58.00472	0.4
59.01265	8.5
66.80517	0.3
70.35862	0.3
70.36185	1.0
71.01266	5.6
72.99222	0.9
73.02827	2.4
75.00763	0.6
77.03860	0.6
83.01263	0.4
85.02832	2.1
86.00016	0.4
87.00758	2.2
87.04420	0.8
89.02335	3.6
89.03866	1.1
91.01816	0.3
93.03343	2.0
95.01260	0.4
95.04938	0.6
99.00784	0.6
101.02344	4.6
103.03905	1.0
105.03371	3.0
106.03632	0.4
106.53149	0.3
107.01311	0.3
107.04961	1.4
109.02848	0.7
111.29680	0.3
113.02339	1.8
115.03931	1.6
119.01263	0.3
119.03411	2.2
121.02850	2.8
122.03674	0.4
123.03543	0.8
123.04440	14.6
124.04771	0.7
125.02320	0.3
125.65417	0.3
131.03453	2.1
132.02089	0.9
133.02887	21.8
134.03278	0.6
135.04449	16.0
136.04779	1.6
137.02359	0.8
139.03947	2.7
143.03432	2.3
145.05020	0.6
147.00792	0.6
148.01573	0.5
149.02383	9.8
150.03127	0.8
151.03955	7.2
153.05531	0.8
159.02930	0.3
161.02391	35.4
162.02736	2.5
163.06075	0.7
165.01801	0.4
169.04953	0.5
175.00285	0.4
175.04025	0.5
176.01163	2.0
177.01891	100.0
178.02232	4.6
179.03484	5.4
180.03831	0.6
195.02972	2.5
203.03508	1.8
204.03879	0.4
205.07204	1.4
221.06589	0.4
281.06744	0.6
315.10901	2.6
327.42328	0.3
331.10580	0.6
341.11154	0.4
388.73383	0.4
443.15582	0.5
461.16772	13.3
462.17145	1.5
463.17529	0.6
477.16336	1.9
485.13907	0.4
487.14740	0.8
488.15082	0.5
586.09277	0.3
595.20551	0.5
638.69141	0.3
639.19397	27.8
640.19812	4.8
647.36853	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.1945
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01068	0.4
50.49061	0.3
50.90010	0.3
56.24674	0.3
59.01266	6.3
59.64830	0.4
67.50415	0.5
69.24350	3.6
72.99173	0.4
73.02836	1.8
83.01273	0.6
85.02838	1.8
85.28926	0.4
87.00769	1.7
89.02346	4.4
95.01291	0.5
98.19839	0.7
101.02347	5.1
105.03387	0.5
107.04945	0.4
113.02362	2.9
117.03383	0.7
119.03424	1.7
123.04398	2.4
131.03427	1.4
132.02104	2.2
133.02882	41.1
134.03619	1.3
135.04449	20.6
136.04855	0.4
137.02388	0.4
150.03148	0.3
151.03995	0.6
153.05505	1.1
159.03052	0.4
161.02393	100.0
162.02739	4.5
163.04019	0.3
177.01910	4.6
179.03464	7.0
179.05016	0.5
179.05760	0.4
203.03563	0.6
211.58333	0.3
221.06636	2.3
315.10852	0.8
459.15161	1.1
461.16788	1.0
477.16214	12.9
478.16153	1.1
503.13928	0.7
639.19421	76.7
640.19830	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	639.1946
Annotation	Suspensaside
Peak:m/z	Relative Intensity
51.75129	0.3
52.79180	0.3
58.00465	0.3
59.01265	10.0
61.98710	0.5
63.16938	0.3
69.03349	0.6
70.71588	0.8
70.71919	0.3
71.01270	7.3
72.01593	0.3
72.99201	1.2
73.02842	3.6
74.33613	0.3
75.00763	1.0
81.03347	0.4
83.01278	1.0
85.02840	3.5
85.99971	0.5
87.00777	3.7
87.04407	1.3
89.02345	4.4
89.03851	1.6
93.03355	2.1
95.01285	1.0
95.04924	0.8
97.02882	0.4
99.00774	1.3
101.02351	5.1
103.03932	1.3
104.02620	0.4
105.03374	2.8
107.01220	0.3
107.04920	1.5
108.02054	0.3
109.02860	1.1
113.02356	3.2
115.03923	2.0
117.03391	0.4
119.01290	0.3
119.03436	1.9
119.04953	0.5
121.02866	3.6
123.04448	13.0
124.04806	0.6
125.02341	0.8
131.03432	2.9
132.02103	1.0
133.02882	16.8
133.43256	0.3
134.03304	0.9
135.04449	14.7
136.04787	1.2
137.02380	1.9
139.03931	2.8
143.03442	3.5
145.02904	0.8
145.04982	0.5
147.00803	0.5
147.04408	0.5
148.01582	1.0
149.02386	9.3
149.06033	1.8
150.03177	2.0
151.03961	7.8
152.04329	0.3
153.05498	0.7
161.02393	28.0
162.02696	2.3
163.03963	0.6
163.06088	1.4
163.28162	0.3
167.03471	0.4
176.01157	1.4
177.01895	100.0
178.02243	6.4
178.05795	0.5
179.03476	7.0
180.03790	0.8
181.05095	0.7
187.03970	0.4
193.01347	0.3
193.05081	0.5
195.02997	2.4
196.03329	0.5
203.03461	0.5
205.07179	2.6
209.04579	0.7
219.16565	0.3
221.04599	3.9
221.06639	0.5
222.04878	0.6
223.06096	0.4
237.04140	0.8
251.05620	0.5
255.02858	0.3
263.05515	0.6
281.06729	2.9
282.07123	0.7
285.04050	0.3
285.65811	0.3
287.02084	0.6
297.06439	0.4
297.09607	0.4
300.03046	0.3
301.03622	0.4
313.03381	0.4
314.08249	0.3
315.01471	0.4
315.10989	2.8
320.20108	0.3
321.06180	0.6
323.07672	0.5
331.04462	0.4
331.10437	0.3
339.07367	0.4
341.10400	0.3
357.09778	0.7
369.09714	0.4
428.53003	0.4
443.15543	0.6
459.13171	1.3
461.16757	17.8
462.17026	2.7
463.16840	0.3
469.13403	0.5
475.12762	0.4
477.16257	5.2
478.16263	0.6
485.13040	1.1
487.14343	1.7
488.14410	0.3
489.14749	0.9
503.14359	0.5
562.67645	0.4
577.19482	0.3
579.30066	0.5
595.20428	0.8
621.18018	0.6
639.19427	39.1
640.19855	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	639.1945
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01773	0.4
59.01268	8.1
64.03265	0.3
71.01268	4.8
71.16783	0.4
72.99183	0.7
73.02836	1.6
81.03344	0.5
83.01283	0.5
84.88096	0.3
85.02877	1.5
87.00757	1.8
87.04416	0.8
89.02330	3.3
89.02739	0.3
89.03847	1.6
93.03365	1.8
95.01255	0.4
95.04943	0.8
101.02349	3.9
103.03917	0.4
105.03378	2.7
106.75877	0.3
107.04909	1.4
109.02866	0.7
113.02367	1.7
115.03918	0.8
116.04248	0.3
117.03362	0.4
119.03433	2.2
121.02860	2.4
123.04439	7.9
131.03409	1.7
132.02118	1.7
133.02881	18.9
134.03383	0.6
134.16200	0.3
135.04449	14.0
136.04800	1.5
137.02345	1.1
139.03951	2.0
143.03438	1.8
147.00803	0.4
148.01593	0.5
149.02376	7.0
150.03148	1.2
151.02823	0.5
151.03957	6.0
151.29433	0.3
153.05510	1.1
161.02388	29.5
162.02705	2.0
163.06062	0.6
169.05034	0.8
176.01117	1.6
177.01891	100.0
178.02223	5.8
179.03474	5.8
180.03815	0.9
195.02974	1.4
203.03522	0.3
205.07245	1.5
233.69527	0.3
315.10925	3.5
316.11426	0.5
323.08139	0.4
331.10547	0.4
440.91193	0.3
443.15506	0.6
461.16708	18.0
462.17142	2.1
462.52725	0.3
463.17596	0.3
477.16025	2.6
487.14914	0.7
488.14938	0.4
489.15369	0.5
512.94269	0.4
595.20215	0.7
621.18317	0.7
639.19354	32.9
640.19647	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	639.1582
Annotation	PHA-665752
Peak:m/z	Relative Intensity
59.01260	8.1
62.04902	1.0
65.00187	1.8
73.02811	3.4
75.00735	1.5
81.03339	1.1
85.02824	2.4
87.00751	3.1
89.02330	2.0
93.03331	1.9
95.01273	1.6
95.04940	1.0
99.00748	1.5
101.02303	3.0
105.03335	2.6
107.01269	1.2
109.02842	1.6
109.99977	1.2
111.00739	2.7
113.02310	2.7
117.03349	1.3
119.03394	1.8
119.04860	1.6
121.02812	1.7
123.00744	2.7
123.04440	9.7
124.01464	1.3
125.02306	2.2
132.02080	1.5
133.02875	20.2
135.04462	11.3
136.04694	1.2
137.02322	1.6
139.00275	4.7
139.03905	1.7
143.03383	1.6
145.02856	1.8
149.02376	7.4
150.03021	1.6
151.00223	3.5
151.03932	6.4
152.01065	1.9
153.01852	1.1
153.05429	1.5
159.04420	1.5
161.02396	47.2
162.02689	2.8
163.00272	2.3
163.03920	1.6
165.01823	1.2
165.98943	3.0
166.99774	1.7
167.03435	2.1
171.04401	2.1
175.03944	1.0
177.01898	65.9
178.02130	3.7
178.99767	3.5
179.03456	8.4
187.03876	2.1
189.01836	1.8
195.02888	2.3
197.02229	1.2
198.03110	1.5
199.03848	1.3
201.01791	1.4
203.03329	4.4
205.07054	1.6
209.00775	1.4
214.02516	1.9
215.03366	3.8
217.04919	1.2
226.02618	1.0
227.06944	1.7
231.02846	2.3
241.01340	2.4
242.02234	5.0
243.02954	6.0
244.03712	1.3
255.02972	1.3
257.04517	1.1
258.01605	3.6
258.05017	1.0
259.02542	6.1
265.07007	1.5
270.01697	6.4
271.02560	5.8
272.03326	2.0
273.03964	3.5
273.17505	1.0
281.06662	1.8
285.04129	8.2
286.01178	2.6
286.04245	1.3
286.99136	1.4
287.01855	18.6
287.05444	4.0
288.02545	1.1
298.01050	2.0
299.01834	3.3
300.02374	1.7
301.03653	4.6
302.04379	9.0
303.04901	1.3
313.03613	10.1
314.04138	2.5
315.01318	8.6
315.05069	2.4
315.10880	1.6
316.02240	7.2
329.02768	1.5
330.00308	1.1
330.03851	21.1
331.04651	25.6
332.04703	1.9
336.67029	1.2
357.09644	2.4
368.43823	1.1
443.15115	1.5
461.16678	12.6
477.15573	4.4
487.14566	1.3
488.14883	1.6
577.30273	1.5
621.16608	2.1
639.16095	100.0
640.16553	17.9
647.86169	1.3
651.58777	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.1373
Annotation	Quercetin 3-(6''-feruloylgalactoside)
Peak:m/z	Relative Intensity
59.01265	5.0
61.98717	0.6
63.02281	0.8
65.00222	1.9
69.03374	0.3
70.50057	1.1
73.02808	0.3
83.01289	1.8
85.02840	0.3
85.85602	0.3
88.98704	0.7
89.02361	0.9
93.03383	0.4
96.95963	0.3
100.93695	0.3
101.02367	1.3
104.52780	0.3
107.01289	4.2
108.02107	1.6
109.02895	2.0
111.00758	0.4
113.02380	0.8
116.92781	0.9
117.03365	0.3
119.01252	0.4
119.03507	0.3
119.04978	0.6
121.02907	2.4
125.02374	0.8
126.93969	0.3
132.02095	0.7
133.02892	5.5
134.03726	0.8
135.00816	0.8
135.04451	4.2
136.01616	3.5
139.00380	0.4
139.03899	0.4
145.02904	1.0
146.03720	0.3
147.04419	0.5
148.01628	1.6
149.02339	0.6
150.03180	0.6
151.00320	13.7
151.03947	8.8
152.00717	0.7
153.01881	0.4
159.04478	0.8
160.01581	1.0
161.02394	15.6
162.02737	0.8
163.00322	2.6
164.01114	1.1
165.01924	0.4
169.01387	1.0
170.84785	0.3
174.03178	0.4
175.03940	1.8
175.53117	0.3
177.01854	0.6
177.05540	0.5
178.99849	6.2
179.03439	2.6
183.04463	0.6
187.03989	0.7
190.99835	0.9
191.03377	0.5
192.00655	0.7
193.05104	0.4
199.04018	1.3
201.01932	0.4
201.05542	0.5
203.03531	3.5
204.03995	0.3
211.03995	1.6
215.03493	1.1
216.04263	0.7
218.05821	3.6
221.04541	0.6
226.02777	1.7
227.03513	4.4
227.27206	0.4
228.04091	0.5
229.01349	0.6
229.05089	0.8
233.08237	3.4
234.08563	0.4
239.03461	0.4
243.03015	14.8
244.03580	2.0
245.04475	0.7
254.02156	2.5
255.03021	29.3
256.03439	2.7
257.04730	0.5
271.02536	64.3
272.03009	7.2
273.04016	1.3
283.02496	1.4
284.03186	0.4
299.02051	5.0
300.02820	100.0
301.03519	44.8
302.03891	2.9
314.04333	3.0
315.05164	9.1
316.05557	1.0
323.07819	3.2
355.11981	0.7
385.13028	2.0
417.10251	0.6
417.15683	9.3
418.15805	0.6
463.08936	33.4
464.09222	3.3
477.09665	2.3
639.13678	68.1
640.13940	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	637.2516
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43162	0.6
58.00477	0.6
59.01264	76.6
60.01590	0.8
60.52079	0.6
61.98709	1.6
69.03320	0.8
70.14340	1.2
70.14742	1.6
71.01270	26.4
72.99191	0.9
73.02833	25.7
75.00756	0.9
81.58314	0.7
83.01272	10.7
85.02842	3.3
87.00760	1.7
89.02328	7.2
91.55535	0.6
95.01289	1.5
99.00789	1.1
101.02345	33.1
102.02625	0.7
113.02365	14.3
119.03424	5.3
123.04416	0.8
125.02349	1.7
130.07353	0.7
131.03439	4.3
133.02876	2.1
135.04442	13.0
143.03409	5.4
143.88857	0.6
145.02896	1.2
146.03618	1.1
148.05269	0.7
149.04503	11.9
149.05713	1.2
149.96906	0.6
155.03392	1.4
161.02420	5.0
161.04494	16.1
161.05869	0.7
163.03955	100.0
164.04372	3.9
177.05566	0.8
178.06311	82.3
179.03535	0.6
179.05508	1.3
179.06918	6.7
193.08676	97.2
193.52411	0.7
194.08983	5.1
203.03674	0.6
203.05589	2.4
206.05789	1.1
209.11821	2.2
221.06613	7.1
239.09268	0.7
323.11371	2.3
341.12439	6.3
352.09558	0.7
383.13773	3.0
517.21118	4.8
534.20715	0.8
577.23041	1.6
638.25708	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2156
Annotation	Leucosceptoside A
Peak:m/z	Relative Intensity
55.01762	0.9
57.03313	1.5
58.00473	2.0
59.01268	27.9
61.98725	1.3
69.52202	6.6
71.00892	1.6
71.01270	21.0
72.99187	2.4
73.02841	8.0
75.00775	0.7
81.03353	1.2
83.01276	0.9
85.02846	8.9
85.99963	1.0
87.00771	5.6
87.04431	1.2
89.02347	12.1
93.03333	1.2
95.01312	2.0
96.95339	0.7
96.95911	4.2
99.00802	1.9
101.01694	1.3
101.02348	14.0
103.03900	3.6
103.17784	0.7
105.03337	0.9
107.04935	0.8
109.00814	0.7
109.02830	1.6
111.00817	0.8
113.02352	11.4
115.03903	1.7
117.03397	5.2
119.03449	5.2
119.04955	4.0
121.02869	3.4
123.04455	3.9
125.02303	1.4
131.03423	4.8
132.01045	0.9
132.02092	22.6
133.02896	15.0
134.03676	23.1
135.04463	38.7
136.04768	2.3
137.02356	3.2
139.03951	0.9
143.03485	3.8
145.02885	11.4
145.05003	0.9
147.00784	0.9
147.04445	1.2
149.02411	4.8
149.06021	4.9
150.03174	4.8
151.03973	1.6
153.05501	2.3
160.01610	93.4
161.02391	49.9
161.04414	1.3
162.02747	1.9
163.03967	4.0
163.06006	4.2
164.03496	1.1
165.01889	2.9
166.02647	1.0
175.03966	100.0
176.04359	5.2
177.01878	3.0
177.05489	2.1
178.02672	2.9
179.03458	11.3
179.05049	1.2
179.05579	1.0
187.03949	0.9
193.05048	13.7
194.05452	1.9
203.03410	2.2
205.05267	1.5
205.07161	3.7
207.06607	0.8
221.04535	1.1
226.06531	1.0
227.07147	8.4
231.33217	0.8
249.07704	1.0
255.03084	1.3
256.03464	0.9
261.07693	1.6
265.07147	1.9
269.04590	1.2
284.03210	1.6
285.03922	1.3
287.05316	1.0
296.10715	1.2
297.09848	3.2
311.13120	1.9
311.16733	1.0
315.10938	8.6
392.12424	1.2
443.15729	24.2
444.15985	2.8
461.16754	45.7
462.16974	5.9
467.12369	1.2
471.14609	1.1
487.14871	3.2
491.15939	1.0
565.14417	1.2
605.18768	0.9
607.20709	1.2
623.19543	1.9
636.68488	1.2
637.21521	76.7
637.69366	2.2
638.21729	15.5
652.18787	1.4
668.17993	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2156
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	0.9
57.03313	1.5
58.00473	2.0
59.01268	27.9
61.98725	1.3
69.52202	6.6
71.00892	1.6
71.01270	21.0
72.99187	2.4
73.02841	8.0
75.00775	0.7
81.03353	1.2
83.01276	0.9
85.02846	8.9
85.99963	1.0
87.00771	5.6
87.04431	1.2
89.02347	12.1
93.03333	1.2
95.01312	2.0
96.95339	0.7
96.95911	4.2
99.00802	1.9
101.01694	1.3
101.02348	14.0
103.03900	3.6
103.17784	0.7
105.03337	0.9
107.04935	0.8
109.00814	0.7
109.02830	1.6
111.00817	0.8
113.02352	11.4
115.03903	1.7
117.03397	5.2
119.03449	5.2
119.04955	4.0
121.02869	3.4
123.04455	3.9
125.02303	1.4
131.03423	4.8
132.01045	0.9
132.02092	22.6
133.02896	15.0
134.03676	23.1
135.04463	38.7
136.04768	2.3
137.02356	3.2
139.03951	0.9
143.03485	3.8
145.02885	11.4
145.05003	0.9
147.00784	0.9
147.04445	1.2
149.02411	4.8
149.06021	4.9
150.03174	4.8
151.03973	1.6
153.05501	2.3
160.01610	93.4
161.02391	49.9
161.04414	1.3
162.02747	1.9
163.03967	4.0
163.06006	4.2
164.03496	1.1
165.01889	2.9
166.02647	1.0
175.03966	100.0
176.04359	5.2
177.01878	3.0
177.05489	2.1
178.02672	2.9
179.03458	11.3
179.05049	1.2
179.05579	1.0
187.03949	0.9
193.05048	13.7
194.05452	1.9
203.03410	2.2
205.05267	1.5
205.07161	3.7
207.06607	0.8
221.04535	1.1
226.06531	1.0
227.07147	8.4
231.33217	0.8
249.07704	1.0
255.03084	1.3
256.03464	0.9
261.07693	1.6
265.07147	1.9
269.04590	1.2
284.03210	1.6
285.03922	1.3
287.05316	1.0
296.10715	1.2
297.09848	3.2
311.13120	1.9
311.16733	1.0
315.10938	8.6
392.12424	1.2
443.15729	24.2
444.15985	2.8
461.16754	45.7
462.16974	5.9
467.12369	1.2
471.14609	1.1
487.14871	3.2
491.15939	1.0
565.14417	1.2
605.18768	0.9
607.20709	1.2
623.19543	1.9
636.68488	1.2
637.21521	76.7
637.69366	2.2
638.21729	15.5
652.18787	1.4
668.17993	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.3164
Annotation	Unknow
Peak:m/z	Relative Intensity
65.47964	46.7
67.43644	41.9
70.85200	100.0
70.85536	47.8
77.99166	45.2
78.95802	72.7
81.60090	42.3
82.45060	49.6
89.45786	38.9
127.21236	41.4
152.98105	38.8
155.32008	45.7
168.00546	41.4
171.10213	88.8
199.13344	52.4
211.07631	87.9
532.37616	56.6
599.34174	79.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.3159
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61235	30.7
54.83412	31.0
71.07149	52.2
72.41270	32.4
93.63391	31.7
97.78370	33.2
98.61058	37.8
100.10369	33.1
111.52153	35.0
147.53888	40.8
168.11165	33.4
171.10185	55.5
203.07944	39.3
211.07654	100.0
254.15082	51.2
319.94589	41.8
395.91519	39.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.2676
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46377	0.2
58.02864	12.4
59.01257	0.8
59.13130	0.2
69.85392	1.3
70.02863	4.8
71.01249	0.4
72.00793	2.6
78.86297	0.3
79.23126	0.2
91.05411	2.4
101.02347	0.3
109.02916	0.4
133.02902	1.8
135.04451	3.3
136.04796	0.3
137.02444	0.3
144.47162	0.3
147.04460	18.5
148.03850	0.5
148.04889	0.7
149.02429	0.5
161.02403	4.3
162.09236	0.6
164.07120	54.9
165.01796	0.3
165.05554	0.4
165.07433	2.4
175.00375	0.3
175.03867	0.4
177.01912	0.4
179.03470	2.8
194.24428	0.3
203.03410	1.6
206.08214	100.0
207.08568	5.8
214.50461	0.3
233.81345	0.3
250.07280	1.2
281.06760	0.8
371.36017	0.3
461.17068	0.3
487.14841	2.1
556.17084	0.3
636.19385	0.6
637.18134	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01258	1.9
71.01286	1.3
71.43354	0.9
71.43687	1.1
77.71446	0.9
88.06906	0.8
89.02344	1.3
94.02877	1.0
106.06525	1.2
108.04458	2.6
109.02867	1.4
110.06037	2.1
121.05267	1.3
122.06019	9.2
123.00754	0.9
123.04456	1.7
124.07589	2.4
125.02391	1.1
133.02899	2.0
134.06064	11.8
135.04398	1.9
135.06807	2.7
136.07648	3.0
137.02325	1.3
137.04764	0.9
138.05550	1.4
139.06310	1.5
140.07108	18.1
145.02870	1.9
146.06055	8.9
147.00790	1.0
148.07675	1.0
149.02429	2.3
149.04768	6.4
149.05922	1.7
150.05539	2.7
151.03963	1.4
152.07130	3.6
161.02370	5.4
162.05588	8.8
163.06216	1.6
164.03519	4.7
164.07124	11.5
166.05046	3.8
167.03470	2.1
167.05827	2.8
178.05061	1.3
179.03464	2.3
179.05775	2.6
186.49702	0.8
187.08644	1.1
190.07379	1.9
191.05646	1.2
193.05029	1.5
197.08626	0.9
209.04521	1.2
211.08734	1.2
212.10796	3.1
213.10439	2.4
215.08267	1.1
215.11929	1.4
225.10329	1.3
226.07669	4.1
226.12434	18.8
227.08287	19.3
227.12045	2.9
228.08632	1.9
229.09787	1.5
230.12076	1.1
239.08208	2.7
240.08981	5.3
241.09848	32.3
242.10558	7.0
243.11377	7.0
244.11729	0.9
253.09789	3.2
254.10658	4.2
255.03128	1.5
255.11414	20.5
256.11749	1.3
257.09253	1.1
259.11057	1.5
261.12518	4.8
269.13013	55.3
270.10452	1.8
270.13480	6.9
271.11166	5.3
271.14352	5.0
272.08276	1.2
272.15112	1.0
273.12491	9.8
284.03305	2.7
284.11636	1.3
285.12311	7.2
286.13376	1.0
295.11047	1.3
299.10492	1.2
301.12009	7.4
302.12762	1.1
303.13568	27.8
304.14001	2.9
313.12039	19.4
314.12671	6.0
315.13541	7.5
316.10455	1.3
319.12769	1.3
321.14816	1.2
357.09872	3.0
364.16730	1.3
366.14679	3.2
378.18304	1.6
380.16257	3.5
381.16776	2.4
387.10831	1.2
394.17932	3.1
396.11032	1.8
408.15732	3.6
422.17468	2.4
429.13263	0.9
438.16852	1.6
452.18674	1.0
453.19083	10.5
454.19897	2.5
516.15332	3.4
563.14008	1.9
573.27454	1.7
575.25256	37.7
576.25348	6.3
589.26166	1.3
599.25421	2.8
606.21973	1.0
617.26312	100.0
618.26611	16.8
635.18768	1.3
635.27478	30.1
636.18823	2.8
636.27863	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	635.2001
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	2.1
61.98717	5.5
64.97993	0.3
69.70499	1.4
69.70919	0.9
71.01277	2.1
73.02840	0.5
76.78156	0.3
85.02850	0.8
87.00796	0.4
93.11265	0.3
96.95885	0.3
99.00767	0.4
101.02325	1.0
105.03352	0.5
109.02899	0.7
113.02361	0.9
117.03374	1.7
119.04930	0.9
121.02839	0.5
124.01535	0.4
125.02329	0.4
132.02112	0.9
133.02882	25.6
134.03610	1.1
135.04448	14.8
136.04825	1.0
137.02377	1.2
145.02887	1.9
147.04449	1.0
148.05240	1.2
149.06023	64.2
150.06412	2.8
157.60986	0.3
159.04456	0.3
160.01633	0.5
161.02393	100.0
162.02756	4.4
163.03949	1.2
164.03445	0.7
165.01913	0.5
175.03943	0.9
177.01787	0.3
177.05536	2.9
178.02657	0.5
179.03481	12.3
180.03912	0.7
181.75383	0.4
189.05305	0.4
191.05516	0.5
203.03500	1.1
205.05022	0.6
205.07213	0.4
221.04564	3.5
263.05655	1.2
265.07111	0.8
280.05859	0.7
311.11383	1.0
323.07800	16.2
324.07843	1.6
326.42401	0.3
392.12164	0.5
402.46329	0.3
413.13226	0.4
432.26926	0.3
473.14615	82.4
474.15015	11.0
474.19931	0.2
508.34430	0.3
635.19879	6.2
636.19550	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.2204
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32120	0.1
59.01259	0.8
59.44899	0.1
61.98716	0.8
71.01266	0.9
71.57949	0.3
72.99178	0.1
73.02840	0.6
83.01264	0.2
85.02838	0.4
89.02335	0.4
93.03361	0.6
100.87173	0.2
101.02339	0.8
108.02112	0.3
108.20047	0.2
113.02387	0.4
117.03390	0.4
119.04945	3.3
122.03650	0.7
123.04449	0.3
124.01548	0.2
125.02492	0.2
130.04161	0.4
131.04924	0.8
133.02873	0.6
133.06491	0.3
135.04463	0.8
137.02370	0.5
145.02893	0.8
147.04449	1.3
148.05232	1.9
149.06023	100.0
150.03091	0.3
150.06364	4.0
158.03699	0.5
159.04454	3.1
161.02385	1.8
161.04523	0.6
161.06015	0.4
162.02780	0.2
163.03957	3.9
173.06085	0.4
175.03934	0.3
177.05507	0.3
179.03444	0.2
187.03870	0.2
187.07672	0.2
200.04715	0.2
201.05533	0.7
203.03505	0.2
219.06642	0.7
227.22966	0.1
231.06708	0.3
243.06709	0.5
261.07797	0.9
292.12979	0.1
303.08673	0.2
310.25565	0.2
311.11411	4.2
312.11880	0.3
321.09860	6.5
322.10101	0.5
348.73163	0.2
471.16736	8.3
472.17090	1.1
483.15347	0.3
615.24646	0.2
633.22449	3.5
633.74255	0.2
634.22510	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.1631
Annotation	Multiflorin A
Peak:m/z	Relative Intensity
58.31688	0.5
59.01263	3.1
65.00227	0.6
65.16807	0.6
68.82547	0.6
69.47070	5.2
72.99188	0.6
73.02823	1.4
77.17784	0.5
83.01291	0.7
85.02842	1.8
87.00760	1.1
89.02331	1.6
93.03375	1.3
99.00790	0.9
101.02349	1.5
107.01317	1.3
109.02846	0.9
113.02328	1.4
117.03375	2.2
119.04944	4.5
121.02866	14.7
123.04443	1.6
131.03456	0.7
132.02094	1.4
133.02882	10.4
134.03644	0.8
135.00819	1.3
135.04434	4.4
137.02373	1.7
145.02898	7.7
147.03125	0.7
149.02383	23.6
149.06020	1.5
150.03064	2.4
151.00330	1.9
151.03917	0.7
159.04440	1.2
161.02396	13.1
161.05995	1.3
161.77898	0.6
162.02827	0.6
163.00348	0.7
163.03960	6.5
163.06059	0.8
164.01076	1.2
164.03442	4.9
165.01901	2.0
165.46805	0.6
169.01454	0.9
175.03929	0.8
177.01852	2.4
177.05536	1.0
178.99821	1.2
179.03456	4.5
183.04495	1.3
185.06042	0.7
187.03972	3.8
195.02962	0.7
195.06599	1.2
201.05382	0.6
203.03488	1.8
205.05110	1.3
211.03970	1.6
218.65593	0.6
225.07735	1.4
227.03502	41.0
228.03877	4.2
229.05031	1.8
232.55240	0.6
243.06496	0.6
255.03023	77.4
256.03534	8.7
257.04572	1.5
265.07245	1.5
269.12994	0.9
281.06668	1.1
283.02460	1.8
284.03323	100.0
285.03876	15.0
286.04425	1.1
327.05389	0.9
333.58945	4.6
334.09058	1.2
429.08115	0.6
471.09665	0.9
487.14828	0.9
575.25494	0.8
617.26270	1.2
635.16296	83.2
636.16644	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	631.3293
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74496	0.2
61.33870	0.2
70.15582	0.2
71.59415	0.4
75.19791	0.2
80.54555	0.2
82.92112	0.2
83.64272	0.2
96.95911	1.4
117.03374	9.9
118.03614	0.3
119.04942	3.0
121.02879	1.7
123.04453	1.0
133.02863	0.7
134.03682	0.2
139.11185	0.5
141.12764	0.2
141.72664	0.2
145.02888	51.2
146.03209	2.4
161.02361	0.5
162.03171	0.9
163.03934	1.8
180.96764	0.2
211.13405	0.4
271.02502	0.6
273.04053	0.2
299.02029	2.2
300.02655	0.3
315.16074	100.0
316.16418	10.4
349.43677	0.2
397.77420	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.3296
Annotation	Unknow
Peak:m/z	Relative Intensity
71.57729	0.4
71.58110	0.4
97.02331	0.3
111.88303	0.3
114.99179	0.3
117.03385	6.7
119.04946	21.1
120.05265	0.7
121.02872	2.6
123.04451	0.7
133.02898	0.7
145.02890	25.7
145.96855	0.3
146.03261	1.1
162.03200	0.9
163.03958	19.0
164.04318	1.1
240.64900	0.3
259.51352	0.3
289.87164	0.3
299.02081	0.4
314.14853	0.4
315.16077	100.0
316.16409	9.1
495.58136	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.3288
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30051	0.4
56.53384	0.4
58.40243	0.3
70.75475	1.0
74.39886	0.4
79.25180	0.4
91.92604	0.4
93.03364	1.2
95.39294	0.4
106.04156	0.9
111.00800	1.0
113.02213	0.4
121.02846	2.4
133.02872	9.1
134.03659	22.3
135.04460	8.9
137.02373	20.9
137.03448	0.6
138.02692	0.6
139.03941	7.6
145.02881	1.1
149.02434	0.7
150.03165	2.5
161.02374	6.4
162.02789	0.7
178.01172	0.8
178.02684	12.0
178.04237	0.7
179.03455	9.5
210.06894	1.8
211.07625	13.7
212.07977	1.2
315.16068	100.0
316.16400	10.8
331.15588	2.2
475.77795	0.5
495.37161	0.5
631.32928	2.9
632.33710	0.6
644.74695	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.33
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01278	0.4
59.15071	0.3
60.33831	0.3
70.83259	1.1
96.95946	0.5
117.03388	5.4
118.83717	0.3
119.04937	6.7
120.05289	0.4
121.02869	1.0
145.02888	47.2
146.03239	2.3
151.11232	1.4
162.03175	0.8
163.03951	3.0
169.12317	0.5
184.66072	0.4
211.07605	1.4
213.03314	0.3
214.05360	0.4
237.93671	0.3
271.02621	0.5
299.02081	0.7
300.63571	0.4
315.16071	100.0
316.16379	11.2
343.07053	0.4
493.79321	0.4
522.90253	0.4
631.32751	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	631.3289
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41302	0.3
69.98582	2.3
77.47196	0.4
100.68963	0.4
117.03378	11.8
118.03664	0.4
119.04944	47.3
120.05274	2.1
121.02860	1.8
123.04466	0.6
139.11217	0.7
145.02887	57.9
146.03226	3.4
162.03101	0.8
163.03967	8.4
164.04358	0.7
169.12253	0.7
185.22533	0.4
211.07637	5.4
211.09424	0.7
271.02551	0.5
295.94495	0.5
298.95313	0.4
299.02029	1.0
299.16647	2.8
313.14539	1.0
314.14832	2.0
315.16071	100.0
316.16415	10.7
317.16696	0.9
331.15549	2.9
588.37988	0.5
631.33234	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.3288
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31647	0.1
65.43594	0.1
73.27229	0.1
91.67603	0.1
121.02873	0.1
133.01974	0.2
133.02884	2.4
134.03656	1.0
135.04459	1.2
137.02374	0.9
139.03894	0.2
150.03113	0.2
159.99980	0.1
161.02385	12.2
162.02740	0.4
166.63437	0.1
178.02719	0.4
179.03455	0.9
200.48740	0.1
315.16064	100.0
316.16400	8.8
575.90021	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	629.3135
Annotation	Unknow
Peak:m/z	Relative Intensity
70.87943	2.2
72.96660	0.8
73.87632	0.7
97.06502	1.9
117.03380	18.3
118.03663	0.9
119.04948	37.3
120.05292	1.9
121.02879	3.2
123.04456	1.2
124.05198	2.0
145.02890	100.0
146.03223	5.2
147.04472	0.8
152.08337	1.1
162.03139	1.5
163.03931	8.9
167.10690	4.6
195.31627	0.6
211.07607	3.6
220.64067	0.7
265.08865	0.8
313.14536	62.2
314.14929	7.8
315.16077	65.2
316.16376	6.5
327.61505	0.7
442.90131	0.9
629.31250	1.5
632.07001	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.3137
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48294	1.2
72.16325	1.3
103.05148	1.3
117.03372	17.5
119.04931	13.9
121.02880	6.8
123.04436	2.4
134.03587	1.6
139.74286	1.3
145.02888	100.0
146.03230	6.2
162.03148	1.6
163.03938	9.0
188.97076	1.3
207.85112	1.4
313.14517	99.2
314.14926	11.8
315.16077	82.7
316.16241	7.6
559.09973	1.6
629.30756	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	629.314
Annotation	(R)-6-O-(4-Geranyloxy-2-hydroxy)-cinnamoylmarmin
Peak:m/z	Relative Intensity
57.23676	1.8
58.77587	2.0
59.01250	3.7
71.57862	3.2
86.19018	2.9
86.96316	2.7
93.03362	3.6
117.03393	14.1
119.04948	26.4
121.02844	8.1
122.76926	2.4
133.02863	7.6
135.04448	5.0
145.02890	77.5
146.03198	3.3
161.02408	2.3
163.03981	21.2
164.18690	2.6
175.04016	2.3
206.17123	2.8
210.06995	3.1
211.07622	25.6
251.97774	2.5
264.00610	2.5
288.91718	2.6
313.14545	100.0
314.14859	10.4
315.10971	5.9
315.16116	68.4
316.16196	5.4
381.45657	2.6
408.52740	2.5
537.49860	2.7
558.94476	2.8
629.31403	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	631.22
Annotation	Unknow
Peak:m/z	Relative Intensity
61.04439	0.5
61.98697	0.6
63.02283	4.5
65.00202	7.3
68.99719	0.6
69.03322	0.5
71.50713	0.8
83.01279	4.4
93.03351	3.0
94.79408	0.5
95.01290	3.7
107.01300	12.2
108.02091	5.5
109.02871	2.0
111.00804	1.1
117.03371	3.5
119.01298	1.6
119.04959	4.5
121.02874	2.7
123.00810	2.9
123.04430	3.3
124.01588	7.4
125.02376	2.2
131.04944	0.6
133.02875	5.1
134.03677	2.1
134.77733	0.6
135.00793	0.8
135.04459	5.6
136.01575	2.2
137.02359	2.3
139.00301	1.0
139.03952	0.6
143.04959	1.5
145.02890	13.7
146.03300	1.0
147.00842	3.3
147.04492	0.8
148.01543	0.9
149.99471	0.5
151.00311	37.4
151.11139	0.6
152.01093	29.9
153.01753	1.6
157.02849	1.3
158.03694	0.7
159.04456	1.1
161.02394	15.9
163.00285	3.0
163.03967	2.8
164.01122	1.2
167.03465	0.8
169.01378	4.3
169.06580	0.6
171.04459	2.5
173.02379	0.6
175.03964	1.7
178.02708	1.0
178.99829	42.0
179.03380	6.5
180.00320	2.2
183.04459	1.2
185.02432	0.6
187.00443	0.7
187.04015	1.9
189.01888	1.2
195.02931	3.2
198.03209	1.4
199.04013	6.0
200.04556	0.7
201.01889	2.0
203.03485	1.7
206.99344	11.4
208.00124	8.1
210.06877	9.6
211.07635	83.5
212.07999	5.3
213.02113	0.7
215.03505	2.2
216.04291	0.9
222.13304	0.6
223.07654	3.6
226.02721	1.3
227.03531	5.2
227.07101	2.0
228.04219	1.0
230.02171	0.8
231.03069	0.7
235.07730	0.7
237.09212	1.2
242.02194	1.4
243.02994	6.9
244.03726	1.0
245.04617	1.1
251.07150	0.8
255.03017	4.3
256.03885	0.7
257.04529	0.9
259.02515	8.2
260.03308	4.9
263.07263	0.8
265.08713	1.7
271.02542	57.5
272.03177	9.2
275.05682	20.6
276.05917	1.6
279.06937	0.7
282.01697	0.7
285.04041	1.0
287.05859	3.9
298.01108	1.0
299.02039	74.3
299.16559	10.4
300.02728	27.2
300.16943	1.9
301.03497	6.6
303.05164	40.3
304.05472	3.5
309.07779	2.1
313.03580	3.0
314.04391	1.5
315.16077	54.2
316.16415	3.4
317.02542	0.6
325.17682	0.7
329.14044	1.0
330.14233	1.4
331.04669	100.0
331.15540	26.1
332.05066	9.0
332.15854	1.4
339.16153	0.7
402.29208	0.6
403.19397	1.5
417.20651	0.9
419.23145	0.8
435.21619	0.7
445.20120	5.1
446.20792	0.5
461.19424	2.7
463.21277	0.8
477.19308	0.8
489.55713	0.6
631.32831	18.8
632.33057	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	629.313
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	1.0
61.69066	0.1
61.98711	0.7
62.91835	0.1
68.33907	0.1
69.95402	0.6
93.03359	1.7
105.03383	0.1
109.02872	0.2
109.78957	0.1
116.02595	0.1
117.03394	1.0
119.04929	0.7
121.02888	1.3
122.03193	0.2
123.04424	0.5
131.04909	0.2
133.02869	0.5
143.05049	0.2
145.02870	2.0
156.05746	0.1
161.02385	0.5
163.03937	0.4
169.06519	0.4
181.06435	0.2
182.07396	0.2
183.08104	0.6
185.06050	0.2
193.06514	0.2
199.07547	0.2
208.05144	0.2
209.06107	0.7
210.06854	11.7
211.07631	100.0
212.07965	6.5
221.06161	0.1
223.07750	0.7
225.05598	0.2
226.06439	0.7
227.07137	11.1
228.07516	0.8
229.01405	0.3
235.07578	0.4
243.51543	0.2
250.06288	0.2
251.07217	0.5
263.07175	0.6
265.08939	0.2
277.05228	0.2
278.05670	0.2
279.06683	0.5
281.08203	0.2
291.06781	0.2
299.16635	0.6
313.14468	0.5
315.16086	1.2
316.16333	0.2
323.16583	0.2
329.14081	0.5
331.15576	0.2
339.16089	0.6
344.42288	0.1
355.15570	0.1
391.18832	0.2
403.19104	0.7
417.20953	0.3
431.18591	0.3
433.20230	0.5
445.20389	1.1
447.18002	0.2
459.18506	0.2
461.19882	0.8
475.17621	0.8
477.19592	0.2
493.27029	0.1
629.31323	10.5
630.31635	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	629.2466
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	0.6
57.03348	1.6
58.00485	4.0
59.01267	96.5
61.98745	1.6
70.62072	0.7
71.01273	68.4
71.58177	1.1
72.01588	0.7
72.99199	5.0
73.02853	2.4
83.01289	2.6
85.02847	10.8
87.00781	5.0
89.02342	100.0
90.02679	1.7
93.03394	0.9
95.01284	5.1
99.00779	0.7
101.02353	34.1
102.02686	1.1
105.10055	0.6
109.02874	1.6
113.02363	27.3
114.02728	0.7
115.00285	0.6
117.03365	1.2
119.03429	39.8
119.04910	2.0
120.03732	1.3
121.02881	1.5
123.04391	1.0
125.02330	2.7
131.03439	4.4
131.59140	0.6
133.02893	4.8
135.04471	5.5
137.02412	1.2
139.00267	0.8
143.03447	9.1
145.02872	4.2
147.87347	0.6
149.02412	2.2
149.04477	3.2
149.06006	0.7
150.03165	1.6
151.03935	1.3
153.01923	0.7
153.40466	0.7
161.02419	12.0
161.04491	13.1
162.02760	1.0
162.04962	0.7
163.03906	1.2
164.04813	0.6
165.01884	0.8
165.05498	2.4
166.02589	0.7
167.03424	1.2
177.01872	1.5
177.05496	1.7
179.03496	4.0
179.05579	52.6
180.05904	2.4
181.04958	1.2
187.03949	0.8
189.05553	1.3
193.01183	0.8
195.02979	0.6
195.06476	0.7
203.03481	1.4
203.22112	0.6
205.01375	0.8
207.06549	1.0
221.04453	0.7
227.03468	2.4
227.07172	1.4
229.04980	0.9
253.77388	0.6
255.03012	4.6
256.03491	0.8
257.04578	0.9
284.03366	9.7
285.04105	11.0
286.04474	1.0
320.70172	0.6
359.14944	0.9
461.16373	1.8
471.13367	0.6
487.14526	0.9
593.15088	14.7
594.15259	1.9
608.81323	0.7
629.17822	2.7
629.32983	1.4
629.68671	1.6
630.18890	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	628.3297
Annotation	Unknow
Peak:m/z	Relative Intensity
56.44502	0.5
59.01260	0.8
71.59005	0.6
71.74359	0.5
91.06363	0.5
93.03355	5.3
104.82500	0.5
119.04856	0.5
121.02873	0.9
130.86790	0.5
145.02881	2.7
158.02411	0.5
165.09462	0.5
168.04482	0.5
179.18597	0.4
187.03983	0.5
193.06541	0.5
197.05959	0.5
200.03542	0.8
207.06743	0.9
208.07631	0.9
220.07666	0.6
221.06128	1.2
222.06729	0.6
223.07664	0.9
230.85870	0.4
234.05589	1.7
235.07695	2.0
248.07245	1.0
249.05568	1.3
249.08000	1.2
266.08215	0.6
268.64212	0.5
275.06000	0.5
276.06677	1.7
293.06992	0.5
299.16602	0.8
323.16873	2.4
324.16733	0.5
336.16199	0.9
353.16434	7.0
354.17111	2.3
364.15512	1.7
380.15036	1.1
403.19125	1.0
456.18024	0.7
517.28186	0.7
534.28668	1.1
628.32928	100.0
629.33191	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	629.173
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01784	8.2
57.03326	10.4
59.01260	21.5
67.01764	7.7
68.08307	5.3
68.99698	17.2
69.03334	12.5
70.20218	5.5
70.48757	6.8
71.01274	36.8
71.36297	16.4
72.99190	9.0
73.02818	17.6
75.00767	9.1
81.03355	40.8
83.01282	43.9
85.02824	53.9
87.00745	13.6
91.05473	5.5
93.03367	52.1
95.01261	15.4
95.04930	24.5
97.02871	41.1
99.00782	26.2
99.04407	10.8
101.02335	19.8
104.97991	5.6
105.03380	8.7
107.04897	19.8
108.02118	10.1
108.53985	6.8
109.02888	51.3
111.00775	25.6
111.04390	19.6
113.02366	34.3
119.04951	61.2
121.02843	28.3
123.00779	12.4
123.04446	65.7
124.01574	9.3
125.02372	83.3
127.03901	10.5
133.02863	9.2
135.04460	41.6
136.01530	6.8
137.02376	67.1
137.06010	12.6
139.03937	54.5
141.01833	15.0
147.04420	30.5
149.02362	29.1
149.06046	12.9
150.03096	6.2
151.00266	12.3
151.03935	45.6
153.01843	47.3
153.05525	7.9
159.04482	7.8
161.02386	23.3
161.06010	8.0
163.00385	7.9
163.03937	33.7
163.07614	10.1
164.01065	6.9
165.01891	35.5
165.05544	38.0
166.02664	11.1
167.03450	100.0
173.06024	7.2
175.03989	14.0
177.01968	31.2
177.05507	17.9
177.73608	6.5
178.02763	6.6
179.03453	81.7
180.04156	13.8
181.01363	11.2
181.05043	12.3
183.03030	8.8
189.05548	49.9
191.03497	37.4
193.01366	13.5
193.05040	32.5
194.05641	7.4
195.02968	59.0
203.03551	9.6
205.01488	10.2
205.04919	10.7
207.03090	32.1
207.04771	10.8
209.04547	37.5
211.02313	7.7
219.02946	20.0
219.06618	7.1
221.04478	33.5
225.03987	21.3
231.06532	8.9
233.04492	16.1
235.02483	28.6
237.04105	8.7
239.05646	32.9
243.06653	11.7
251.05608	15.1
259.06317	13.8
263.05667	12.6
271.06180	8.7
273.07767	13.8
281.06732	7.2
284.03348	10.1
285.07858	11.3
289.07333	7.6
297.07712	18.6
299.09195	12.0
301.07227	61.5
315.08633	22.2
327.08511	24.8
341.10086	8.6
343.08377	11.6
355.07077	9.2
357.09735	45.5
387.11139	17.2
389.08759	17.6
419.09644	16.2
421.11584	29.2
435.12888	11.7
447.12955	18.3
449.10602	7.5
463.12396	21.4
473.10941	8.4
476.13266	9.7
477.13989	9.6
491.11972	37.3
492.12155	13.2
509.13251	34.9
567.17328	12.0
593.15076	9.9
596.17554	10.8
611.16290	26.7
612.17078	9.1
629.17053	46.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.3552
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	100.0
60.01592	1.1
61.98723	2.0
71.59161	1.2
78.95782	2.3
93.03397	1.4
105.03342	1.9
117.03364	1.4
121.02878	4.9
133.02881	15.5
134.03214	1.1
145.02856	2.2
161.02348	1.1
167.08594	1.8
177.01920	5.3
211.07660	9.6
214.10323	1.0
241.05099	1.1
293.22769	4.2
309.22247	6.2
315.16168	1.8
337.21677	1.3
345.13501	1.1
345.95688	1.0
363.19772	2.5
381.20718	22.5
382.21115	3.1
447.06616	0.9
505.33282	4.5
506.33490	1.8
549.32379	1.6
606.24933	1.1
627.29694	6.7
628.31061	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	627.2982
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22545	0.2
55.64307	0.2
57.97138	0.2
59.01262	0.3
71.14288	0.5
73.02834	0.3
76.91618	0.2
78.95817	0.2
80.54884	0.2
83.50359	0.2
117.03465	0.2
121.02876	0.6
133.02882	6.3
134.03697	2.4
135.04456	3.2
137.02367	3.0
139.03931	0.9
142.84196	0.2
145.02856	0.3
150.03214	0.2
152.77507	0.2
161.02396	29.9
162.02739	1.0
178.02696	1.2
179.03473	3.6
210.06848	0.3
211.07652	1.5
313.14536	100.0
314.14865	8.9
314.18536	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2977
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03362	0.6
69.68987	0.6
71.07160	1.3
73.72587	0.5
87.04379	0.5
97.06495	2.1
117.03377	16.5
119.04943	6.4
121.02852	1.8
123.04403	0.7
123.81552	0.7
124.05217	3.9
145.02887	94.0
146.03242	4.7
152.08368	0.9
162.03285	0.7
163.03975	5.6
167.10745	7.4
196.80052	0.5
313.14523	100.0
314.14847	9.8
328.58197	0.6
341.98944	0.6
343.49878	0.5
399.52979	0.7
511.73325	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2987
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89005	0.7
61.98732	0.7
71.23350	1.1
71.59341	0.6
74.93375	0.7
79.01543	0.8
94.88001	0.7
117.03387	11.3
117.39229	0.7
119.04948	19.9
121.02873	3.0
123.04480	1.2
145.02892	33.2
146.03217	1.5
162.03171	1.3
163.03964	11.5
246.93753	0.7
313.14529	100.0
314.14853	9.8
357.10831	0.8
518.35193	0.7
630.04059	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.304
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00501	0.5
55.01777	0.5
57.03336	0.6
59.01266	29.6
61.98712	2.9
67.17270	0.5
68.68858	0.4
70.73618	1.2
71.01268	8.1
72.99198	0.7
73.02832	4.5
75.00766	0.8
83.01291	1.8
85.02831	4.6
87.00793	0.8
89.02354	1.9
93.03342	0.6
95.01280	1.2
96.95910	0.7
97.02815	0.5
99.00814	1.2
101.02348	8.7
106.04135	0.7
107.04966	2.3
113.02361	4.0
117.03380	1.2
119.03442	0.6
125.02386	1.0
132.02061	1.0
133.02888	13.0
134.03693	7.7
135.04453	92.6
136.04776	3.3
137.02382	0.9
143.03499	0.6
145.02946	1.1
149.02385	0.5
149.05989	0.9
157.48358	0.5
159.02969	0.9
161.02397	38.4
161.04340	2.5
162.02744	2.6
163.03978	0.6
165.01871	0.5
175.03944	0.5
179.03462	57.1
180.03873	3.5
243.19789	0.5
261.49295	0.5
268.73676	0.5
290.02167	0.5
384.12744	0.8
405.24979	0.8
417.16064	0.5
435.97479	0.5
447.25961	2.3
461.16711	0.5
465.27130	100.0
466.27432	10.6
591.20917	4.6
592.20874	0.8
627.30493	13.5
627.38843	0.9
628.30005	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	627.2459
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	3.1
61.98713	1.3
68.97092	0.6
69.17764	0.6
69.51540	2.8
69.51964	2.3
71.01264	1.6
78.95789	3.0
83.01259	0.8
83.41315	0.6
85.02839	1.3
89.02356	1.8
91.69006	0.6
93.03356	0.9
95.01261	0.9
95.04934	0.7
96.95971	0.9
97.02866	0.7
101.02358	1.8
109.02882	2.9
111.00852	0.8
121.02872	3.1
122.03712	0.8
123.00783	2.8
123.04466	1.0
124.01585	1.9
125.02402	1.2
133.02867	1.9
135.04430	3.8
136.01567	5.4
137.02368	12.8
138.03043	1.3
139.00270	1.3
139.03937	3.2
145.02870	1.1
147.04427	1.2
149.02376	1.2
149.06020	0.8
150.03128	1.2
151.00314	25.8
151.01527	1.5
151.03964	7.4
151.07611	0.8
152.01134	3.2
152.04701	2.4
152.99516	2.0
153.05421	0.9
154.27751	0.5
159.04422	1.2
161.02367	3.5
163.03940	2.5
164.04660	1.0
165.01904	2.9
166.02666	72.3
167.03365	6.1
171.10229	0.8
173.02356	0.8
175.03973	4.5
175.07510	0.7
176.04732	1.3
177.01921	4.9
177.05510	1.9
178.02641	1.2
179.03474	7.0
180.04221	1.9
181.05028	85.8
182.05385	3.3
183.52373	0.6
184.03743	1.1
187.03973	2.7
189.05536	2.0
190.02664	1.0
190.06322	4.5
191.03522	2.9
191.06958	0.8
192.04260	1.1
193.04979	1.4
194.05777	0.7
195.03038	0.8
202.06516	0.7
203.03461	1.5
205.05014	5.5
205.08710	0.9
206.05804	2.7
207.06627	1.8
217.05121	0.9
218.05803	0.8
219.06627	0.9
220.07430	3.9
221.08174	4.8
233.08179	0.9
235.09818	1.2
235.89360	0.6
241.01181	0.8
299.05594	0.7
311.05606	0.8
311.22147	0.9
312.06628	0.9
327.08911	1.3
329.10312	1.0
330.14719	1.6
339.08795	2.4
342.11017	0.9
354.11383	1.0
356.12823	1.3
357.09830	2.8
357.13602	0.9
359.11447	3.8
372.12253	5.9
373.12918	1.4
386.13684	0.8
387.10715	12.5
387.14612	44.1
388.10709	1.2
388.15332	4.5
399.14566	2.2
401.16403	1.5
402.13330	7.9
403.13773	2.0
417.15631	100.0
418.15970	10.8
431.17242	1.2
535.20038	1.3
565.20837	18.0
566.20911	3.3
597.23590	3.7
627.25378	8.2
627.38190	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	627.2308
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	1.0
58.00463	4.5
59.01265	98.5
60.01583	1.3
61.98724	1.1
65.78810	1.0
68.28296	1.0
69.30473	8.5
69.30885	1.6
71.01271	69.8
72.01624	1.2
72.99197	5.5
73.02835	2.0
75.00752	1.6
75.32542	1.0
78.47755	1.0
83.01285	2.4
85.02847	9.5
87.00744	4.7
89.02335	100.0
89.47890	1.0
90.02678	1.6
95.01279	4.5
97.02885	1.1
101.02346	32.8
113.02350	29.8
115.33823	1.0
119.03421	39.5
120.03796	1.2
121.02914	1.4
125.02368	1.6
129.21523	1.1
131.03456	4.9
133.02875	2.9
134.03238	1.2
135.04414	2.0
143.03439	9.2
145.02904	2.4
149.02434	1.1
149.04468	4.3
153.05518	1.1
161.02356	3.5
161.04541	12.5
162.02719	1.7
165.05548	1.7
179.05577	45.9
179.07172	2.3
180.05905	2.5
203.38460	1.3
209.08018	1.2
242.64256	1.0
386.22620	1.1
387.10983	2.2
417.11673	1.0
627.20447	2.6
640.71893	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2821
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	2.2
60.43380	0.4
69.87930	2.7
70.65282	0.4
72.89729	0.4
77.82298	0.4
78.95791	1.8
93.03357	0.5
98.20483	0.7
113.26281	0.4
117.03374	11.2
119.04943	11.2
121.02882	5.3
123.04433	1.8
130.04175	0.6
131.04959	1.1
133.02884	2.0
133.58157	0.4
134.03641	1.0
145.02890	26.9
146.03192	1.4
147.10316	0.5
152.99542	1.1
157.05376	0.6
157.06572	1.7
159.04434	0.5
161.02367	1.0
162.03156	2.6
163.03954	9.3
184.05212	0.5
185.06056	2.8
187.03925	2.5
197.06088	0.9
217.77495	0.5
225.05574	3.8
226.06360	100.0
227.06689	7.8
229.04994	1.1
241.08723	59.6
242.09055	4.6
248.35315	0.4
256.83011	0.4
299.16580	35.1
300.16852	2.8
334.15555	0.5
339.19565	2.5
383.18719	35.7
384.19086	3.7
408.18481	0.5
461.23474	0.7
554.38019	0.5
625.28180	26.6
626.28595	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	626.1376
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17632	0.4
59.01254	0.4
59.66191	0.4
61.98717	100.0
62.98410	0.3
97.45310	0.4
97.93030	0.3
107.01316	0.4
124.50253	0.3
132.02075	0.4
151.00281	1.6
152.00963	0.4
161.02382	0.6
162.02788	0.4
163.00238	0.6
169.01384	0.5
178.99821	0.9
211.04033	0.6
227.03497	18.0
228.03926	1.0
229.05025	0.6
239.03500	0.4
255.03030	33.1
256.03543	4.2
257.04453	0.7
283.02322	0.6
284.03333	58.4
285.03967	9.1
300.02792	0.7
301.03387	0.9
307.38495	0.5
361.12573	0.3
399.07343	0.7
409.25601	0.4
445.90384	0.4
463.08994	0.4
464.09116	0.7
563.14178	72.1
564.14532	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	627.187
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	6.7
61.98717	4.9
65.15612	0.3
68.77551	0.4
71.01271	4.8
71.56951	0.7
72.00713	0.3
72.99217	0.5
73.02850	1.3
79.47128	0.4
81.03402	0.5
82.99335	0.4
83.01267	0.5
85.02858	1.9
87.00767	1.1
88.98716	0.7
89.02328	3.4
93.03385	0.6
95.01295	0.7
95.04902	0.7
96.95914	0.9
99.00777	0.4
101.02355	2.9
102.66807	0.4
103.03899	0.6
109.02887	0.8
113.02376	2.0
117.03392	1.2
117.14570	0.4
119.03428	0.8
119.04900	1.0
121.02870	0.9
121.06602	0.3
123.04443	0.9
124.01591	0.5
125.02387	1.5
131.03421	1.0
132.02090	1.9
133.02882	26.9
134.03252	1.2
135.04457	10.6
135.05455	0.7
136.04778	0.8
137.02376	2.5
137.05995	0.6
139.04010	0.6
143.03442	1.2
145.02841	0.9
149.02379	0.9
149.06038	1.3
150.03166	0.5
151.00325	2.9
151.03908	0.4
152.04738	0.6
161.02393	100.0
162.02716	5.6
163.03978	0.6
164.04668	0.5
165.01857	0.4
165.05524	0.4
166.02669	8.5
167.03447	2.1
175.03897	0.6
177.01866	0.4
177.05550	0.6
179.03467	6.6
180.03844	0.9
181.05028	10.4
181.06543	0.6
187.04002	0.8
190.02745	0.5
191.03485	0.9
192.04213	0.4
193.04839	0.5
203.03522	0.9
205.05099	1.9
205.07030	0.8
206.05910	0.6
220.07462	0.8
221.04651	0.5
221.08217	1.2
235.09721	0.4
271.45981	0.5
281.06650	0.4
339.08698	0.6
342.09329	0.5
357.09698	0.5
372.12268	0.6
387.10745	1.9
387.14990	5.9
388.15112	0.7
392.12299	0.7
392.62479	0.6
402.13339	1.3
417.15637	11.4
418.15933	1.1
443.15808	0.4
449.27808	1.5
461.16949	0.6
465.27017	1.0
591.20959	61.5
592.21301	9.2
608.25916	0.6
608.76270	1.8
609.26593	0.8
627.15265	0.7
627.23840	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	625.1579
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94199	0.6
56.72003	0.5
57.03342	8.7
59.01264	7.2
61.98719	13.5
63.02328	1.8
65.00211	6.0
66.40735	0.5
68.99763	0.7
69.48265	1.4
69.48682	3.7
71.01272	5.3
72.99221	0.9
73.02856	1.2
78.95862	0.7
81.03408	2.5
83.01279	7.8
85.02905	2.7
87.00860	0.9
88.98720	0.8
89.02388	2.7
93.03378	4.2
95.01344	1.3
96.95922	0.7
97.02898	1.2
97.29384	0.6
97.59567	0.6
99.00823	0.6
101.02344	3.1
107.01286	7.7
107.04932	1.4
108.02153	0.7
109.02222	0.6
109.02914	2.0
111.00822	1.2
113.02409	2.6
114.02682	0.7
116.92848	1.3
117.03444	2.7
119.03486	1.0
119.04998	2.3
121.02937	2.0
123.04476	2.0
124.01637	2.1
125.02368	53.8
126.02737	1.4
131.03490	1.0
132.02122	1.5
133.02893	8.4
134.03729	4.2
135.00885	0.6
135.03598	0.9
135.04449	4.3
137.02385	1.3
139.03960	1.1
143.03535	0.7
145.02956	2.0
147.00798	0.7
147.04541	1.3
148.05183	0.6
149.02405	5.6
149.04599	0.6
149.06078	1.8
149.99593	1.4
150.03178	2.2
151.00314	29.3
151.03920	1.9
152.01117	4.6
153.01897	9.8
155.04893	0.7
155.76756	0.6
157.06618	1.0
158.03676	1.1
159.04492	1.3
160.01616	5.6
161.02390	16.8
161.04471	0.9
162.02722	6.0
163.00356	2.9
163.02823	1.2
163.04037	1.4
164.01033	0.7
165.01933	1.6
165.05560	1.4
167.03452	1.3
169.01421	1.0
169.06641	1.4
172.05266	2.4
173.06042	7.4
175.03964	8.1
175.07623	0.9
176.01151	4.0
176.04765	1.0
177.01842	0.9
177.05540	1.7
178.99846	13.2
179.03430	3.3
180.00177	0.7
187.07686	1.0
187.11183	0.7
191.07152	0.7
193.01445	0.8
193.05052	1.8
195.06760	0.8
196.05196	0.8
197.06104	2.5
199.03960	1.4
199.07687	1.1
200.04602	1.0
201.05515	2.9
203.03453	0.7
213.05647	2.1
215.07135	8.0
221.19141	1.6
225.05550	3.2
235.06151	1.3
241.05045	5.5
242.05515	0.6
243.06702	4.8
259.06168	93.6
260.06506	6.1
268.03864	1.8
269.04611	100.0
270.04916	7.0
271.02594	1.6
273.07822	0.8
283.06223	1.3
283.19250	2.0
287.05682	28.7
288.05972	2.1
295.08252	1.0
299.02020	1.0
300.02713	1.6
301.03357	0.7
301.07181	0.7
301.20313	3.2
311.05524	1.4
316.01834	0.9
323.04236	0.7
323.07761	1.4
337.09329	2.6
343.12131	1.1
403.14047	5.6
417.15656	0.8
445.24509	2.2
462.17014	1.1
463.25632	22.4
464.25870	0.9
487.25659	0.9
505.26581	2.9
517.09540	1.1
518.10474	1.8
565.28186	0.9
597.16211	4.0
598.16217	0.9
607.14655	6.1
608.15021	1.4
624.19653	2.5
625.15375	45.1
626.15930	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	625.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01261	7.1
59.34667	0.6
63.02267	0.7
65.00191	1.6
71.01273	4.9
72.99149	0.7
73.02818	1.6
83.01244	1.7
85.02821	1.4
87.00754	1.4
89.02330	3.2
95.01243	2.3
97.02795	0.6
98.20618	1.1
99.00729	1.4
101.02311	2.7
107.01253	2.8
108.02058	1.3
109.02847	3.8
110.00009	6.8
111.00777	3.9
113.02283	2.2
117.03354	0.8
119.01261	0.6
119.03380	2.2
121.02824	1.0
123.00813	3.6
123.04388	1.1
124.01519	2.6
124.98674	0.7
125.02287	2.0
132.02077	1.0
133.02890	13.1
134.03178	4.8
135.00729	1.0
135.03528	0.9
135.04440	10.9
136.01556	0.8
136.04716	2.0
136.98662	1.6
137.02348	1.4
137.99536	3.2
139.00296	8.8
139.03914	0.7
143.03345	1.1
145.02805	1.3
146.03616	0.8
147.04340	0.7
148.01489	1.0
149.02296	2.0
150.02989	0.6
151.00307	9.3
151.03844	0.9
152.01085	5.4
153.01807	1.3
153.05356	0.8
155.04924	0.7
159.04349	1.3
161.02391	34.4
162.02736	14.6
163.00209	2.7
163.02884	4.9
163.04076	0.9
164.01048	1.5
165.01733	0.8
165.97833	0.7
165.99031	8.8
166.99869	4.4
169.01234	0.7
171.04385	1.8
172.05235	0.6
174.03009	1.2
175.00294	0.8
175.03848	1.8
176.01074	0.8
177.01830	1.7
178.98491	0.6
178.99840	9.9
179.03409	1.4
180.00320	1.0
181.01175	0.8
181.04984	0.8
183.04396	1.7
186.03029	0.9
187.04013	2.9
188.04489	1.0
189.01840	1.7
193.01180	0.7
193.98512	0.9
194.99211	1.1
198.03156	1.7
199.03995	4.2
201.01794	2.3
202.02647	1.1
203.03511	3.8
206.99193	2.5
207.06395	0.7
208.00021	1.3
209.11830	6.9
211.03914	1.5
213.01816	1.1
214.02600	2.1
215.03477	3.9
216.03957	1.3
217.01314	0.9
218.01819	0.9
219.02983	0.7
226.02570	0.7
227.03485	5.6
227.12796	1.7
229.01367	1.1
230.02068	1.0
231.03008	2.9
232.03590	1.3
241.01239	0.7
242.02271	4.5
243.02991	8.6
244.03406	1.7
245.00987	0.6
245.04230	1.2
255.03036	6.8
257.01013	0.9
259.02475	3.7
270.01794	6.5
271.02545	39.3
272.03152	6.6
273.03854	2.3
287.02045	14.5
288.02719	7.4
289.03125	1.1
298.00934	2.1
299.02057	41.6
300.02542	5.1
301.03326	1.9
315.01303	2.4
315.10654	1.6
316.02298	55.5
317.03003	21.9
318.03183	1.8
341.03036	0.8
397.13104	1.9
403.13779	2.1
415.14139	1.5
461.16614	1.2
462.16901	0.9
463.08777	0.7
463.15988	4.2
473.78394	0.7
489.12286	1.8
543.37891	0.7
581.14880	1.0
607.13422	2.9
607.21210	0.7
624.20636	3.3
625.13593	100.0
626.14130	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	625.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24842	0.7
53.48385	0.7
59.01264	10.6
59.01544	1.4
59.36259	0.7
63.02258	0.9
63.26283	0.7
65.00185	3.2
68.70430	0.7
68.99688	1.1
69.90955	2.0
69.91365	2.6
70.42188	0.8
71.01257	7.0
72.99157	2.6
73.02808	2.0
79.60307	0.8
83.01257	1.4
85.02821	2.0
87.00758	1.9
87.04356	0.9
89.02351	4.1
95.01240	2.3
99.00758	1.4
101.02332	5.5
103.03824	1.1
106.16204	0.8
107.01237	2.8
108.02077	0.8
109.02812	3.6
110.00003	7.9
111.00801	3.7
112.51740	0.7
113.02305	2.9
117.03308	2.5
119.03374	3.5
119.04859	2.5
121.02890	9.0
123.00751	3.5
123.04392	2.6
124.01511	2.5
125.02254	2.4
131.03409	0.9
133.02017	1.0
133.02890	16.1
134.03185	2.5
135.00719	1.3
135.03442	1.3
135.04443	15.0
136.01566	1.5
136.04733	1.6
136.98688	1.6
137.01425	1.3
137.02376	19.4
137.99437	2.8
139.00320	9.5
145.02890	11.4
145.04858	0.8
146.03448	0.9
149.02365	1.8
151.00336	9.4
151.03912	1.5
152.01126	4.2
153.01891	1.3
161.02396	42.8
162.02711	7.8
163.00247	2.2
163.02797	2.5
163.04002	1.5
164.00934	2.7
164.98192	1.0
165.99042	9.5
166.99870	4.1
169.01215	1.5
171.04338	0.9
173.02353	1.2
174.03157	1.8
175.03851	2.3
178.99831	10.9
179.03444	4.7
181.04913	2.4
183.04398	1.2
185.02371	1.0
187.03842	3.2
189.01888	1.3
191.64449	0.7
194.99306	1.0
197.04445	1.1
198.03067	1.8
199.03905	3.3
201.01836	3.0
202.02577	1.6
203.03349	3.7
205.01401	1.2
213.01805	1.6
214.02698	3.9
215.03452	4.7
216.03870	1.2
226.02504	1.3
227.03516	6.5
229.01337	1.4
230.02036	0.8
231.02980	4.0
232.03490	0.9
241.01315	1.5
242.02179	6.0
243.03044	9.0
243.06650	1.2
244.03595	1.0
254.02077	1.1
255.03043	7.3
259.02521	5.4
260.03110	2.0
270.01752	6.4
271.02551	41.7
272.03082	5.9
273.03680	1.2
277.56967	0.9
286.99121	1.2
287.02014	17.2
288.02710	11.2
289.02917	0.8
298.01096	2.4
299.02042	44.5
300.02460	5.0
301.03366	1.7
315.01492	4.7
315.10757	3.6
316.02298	79.1
317.02844	15.3
335.07425	1.2
349.55637	0.9
404.51633	0.9
412.84415	0.8
427.19229	0.9
461.16934	5.1
462.16562	1.3
503.17822	9.3
543.31006	0.9
594.55292	0.9
607.20764	23.6
608.20227	3.3
624.19226	3.3
625.13629	100.0
626.13983	14.3
626.22754	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2728
Annotation	Ligurobustoside B
Peak:m/z	Relative Intensity
55.01787	0.2
55.92639	0.1
58.00474	0.2
59.01268	4.4
61.98713	0.4
71.01271	3.3
71.57599	0.1
71.57990	0.2
72.99195	0.4
73.02834	4.5
75.00759	0.2
83.01283	0.5
85.02850	0.9
87.00785	0.8
88.98731	0.2
89.02348	1.7
89.03873	0.1
95.01292	0.3
97.02882	0.2
99.00810	0.3
101.02348	3.1
101.03007	0.2
105.03377	0.5
113.02358	1.0
116.92837	0.2
117.03394	1.2
118.98009	0.8
119.03430	1.0
121.02872	0.2
123.04437	0.7
125.02328	0.4
131.03470	0.4
132.02081	1.8
133.02890	30.5
134.03169	1.3
135.04456	14.7
136.04778	1.1
137.02417	0.2
143.03484	0.7
145.02881	0.4
149.02386	0.2
149.06070	0.3
153.05522	0.2
160.01646	0.2
161.02400	100.0
161.04558	3.8
162.02740	6.1
162.04776	0.2
173.62617	0.2
175.03935	0.2
177.42770	0.2
178.00003	0.1
179.03479	3.9
180.03825	1.1
181.04100	0.2
203.03494	0.6
204.03914	0.4
221.04543	0.2
230.81985	0.2
261.07819	0.2
281.06827	0.3
282.07022	0.4
297.10080	0.2
311.10516	0.3
315.10886	0.6
315.18182	1.9
316.08386	0.2
323.74197	0.2
324.08316	0.2
331.94247	0.1
461.16772	1.3
461.24091	0.6
470.13998	0.2
473.93857	0.1
487.14722	0.5
488.15347	1.1
504.17136	0.2
521.33936	0.2
543.24829	0.2
623.19659	6.5
623.27380	35.0
624.19891	1.3
624.27753	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	623.2723
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25993	0.1
55.01772	0.2
57.03334	0.2
58.00493	0.2
59.01262	3.7
61.98711	0.2
64.08134	0.1
69.03335	0.2
69.51398	0.4
69.51824	0.7
71.01266	2.9
72.99188	0.4
73.02441	0.3
73.02834	4.1
77.03878	0.2
83.01302	0.3
85.02829	1.0
87.00775	0.6
87.04386	0.2
89.02346	1.4
95.01319	0.3
97.02876	0.2
98.19735	0.2
98.65315	0.2
99.00747	0.2
101.02341	3.0
103.23426	0.1
105.03344	0.5
107.04937	0.2
113.02349	0.6
117.03378	1.2
119.03387	0.8
123.04449	0.4
132.02086	1.6
133.02881	32.8
134.03156	1.4
135.04448	18.0
136.04759	0.7
143.03485	0.2
143.33182	0.1
161.02390	100.0
161.04552	4.3
162.02727	5.2
162.04776	0.2
177.05449	0.2
178.02484	0.1
179.03502	0.9
180.03821	0.2
249.07387	0.2
268.74393	0.2
315.11002	0.3
315.18237	2.4
316.18457	0.3
337.43881	0.2
343.31970	0.2
461.16788	0.7
461.23779	0.5
473.90399	0.2
488.15442	0.2
623.27478	44.1
624.27887	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.1996
Annotation	Forsythiaside
Peak:m/z	Relative Intensity
54.62240	0.3
58.00478	0.5
59.01264	12.6
69.37802	2.0
69.38205	0.7
71.01269	5.0
72.99196	0.4
73.02831	2.0
83.01280	0.8
85.02856	1.7
87.00782	2.2
87.04407	0.6
89.02351	4.6
95.01299	0.4
98.20570	0.6
101.02351	5.3
105.03357	0.6
113.02340	1.9
115.03919	1.0
115.78420	0.3
117.03370	0.9
119.03422	4.3
123.04453	1.6
131.03423	1.3
132.02104	1.7
133.02881	34.6
134.03265	1.2
135.04453	21.8
136.04761	0.6
143.03450	1.7
145.05081	0.3
149.06030	1.3
151.00368	0.6
153.05507	0.9
161.02394	100.0
162.02731	5.1
177.01865	0.5
177.05551	0.7
178.99815	0.5
179.03470	2.6
193.84151	0.3
205.07150	0.7
221.04588	1.2
279.91791	0.3
281.06738	0.7
315.10950	5.5
316.11285	0.4
461.16769	6.2
462.17258	0.6
477.14166	0.6
576.01642	0.3
623.19971	51.4
624.11896	0.9
624.20435	9.0
652.46252	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.1994
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67066	0.2
55.48602	0.3
58.05447	0.2
59.00994	0.5
59.01268	6.6
70.87872	0.7
70.88235	0.3
71.01273	4.1
72.99223	0.5
73.02842	2.2
83.01283	0.4
85.02846	1.0
87.00761	1.6
87.04417	0.6
89.02338	4.3
89.28310	0.2
96.45661	0.2
99.00730	0.3
101.02357	3.8
103.03937	1.1
109.02856	0.3
113.02364	2.3
115.03917	1.6
117.03381	0.5
119.03407	2.2
123.04430	0.9
131.03426	1.8
132.02109	1.2
133.02881	24.4
134.03281	0.6
135.03423	0.6
135.04453	11.4
136.04779	0.4
143.03461	2.9
145.04991	0.5
149.06021	0.4
153.05470	0.6
161.02396	100.0
162.02744	4.9
163.06085	0.9
177.05534	0.9
178.70757	0.3
179.03464	3.0
205.07191	1.8
221.04529	1.1
271.02606	0.3
281.06750	0.9
299.01999	0.5
314.04419	0.8
315.05151	0.5
315.10907	4.3
371.40167	0.3
461.16757	10.5
462.17188	1.2
589.08655	0.3
623.19971	63.5
624.20306	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	623.2209
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	2.5
59.01267	47.4
69.03333	3.0
71.01274	47.2
71.58642	3.2
72.99212	3.9
73.02851	14.8
74.11137	2.4
77.79822	1.8
83.01248	2.8
85.02853	13.0
86.53753	2.1
87.00740	11.2
87.04428	2.6
89.02340	36.9
101.02341	36.1
101.83250	2.4
103.03921	4.8
104.57854	2.5
113.02381	18.8
115.03946	2.6
119.03388	15.1
123.04410	9.4
125.02339	3.7
131.03421	14.8
131.23238	2.2
135.04459	36.4
143.03430	9.1
146.21251	2.3
153.05499	8.9
153.85518	2.2
161.02437	4.9
161.04507	12.7
163.06062	4.3
205.07253	3.1
221.06619	9.5
231.56866	2.5
256.05179	2.2
297.34882	2.5
315.10965	17.4
461.16742	46.2
462.16809	4.8
464.36905	2.4
467.49106	2.6
477.16376	8.0
553.45801	2.5
623.21991	100.0
624.22516	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	623.2724
Annotation	Ligurobustoside B
Peak:m/z	Relative Intensity
52.08263	0.1
55.01775	0.3
57.03335	0.2
58.00492	0.1
59.01266	3.3
59.35574	0.1
61.98697	0.1
69.03345	0.2
70.87341	0.2
71.01266	4.3
72.99188	0.3
73.02835	1.5
74.64200	0.1
77.03857	0.2
83.01271	0.8
85.02845	2.3
86.03172	0.1
87.00768	0.4
89.02332	1.0
89.03867	0.3
91.05407	0.1
95.01285	0.3
97.02818	0.1
99.00768	0.6
101.02341	2.9
101.53297	0.1
105.03337	0.6
107.04963	0.3
113.02353	1.7
115.01817	0.2
115.31472	0.1
117.03381	1.2
119.03429	0.4
123.04433	0.4
126.81654	0.1
131.03423	0.2
132.02101	1.9
133.02879	33.2
134.03342	1.1
135.04448	10.3
136.04794	0.4
137.02347	0.2
143.03429	0.3
159.02940	0.3
160.01520	0.1
161.02390	100.0
162.01346	0.2
162.02722	4.7
179.03462	5.2
180.03810	0.3
312.20016	0.1
315.18317	0.3
459.68619	0.1
461.17380	0.1
461.24014	0.4
461.33231	0.1
623.27283	52.7
624.27594	10.4
639.63739	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	623.1992
Annotation	Forsythiaside
Peak:m/z	Relative Intensity
55.01770	0.4
59.01265	5.5
66.26776	0.2
71.01270	3.4
71.38347	0.4
72.99203	0.3
73.02833	1.3
83.01286	0.2
85.02837	1.3
85.99998	0.2
87.00771	0.9
87.04399	0.3
89.02337	3.3
101.02342	3.1
103.03932	0.5
105.03371	0.6
113.02370	2.1
115.01798	0.2
115.03945	1.0
116.46109	0.2
117.03367	0.5
119.03421	2.3
119.41350	0.2
123.04403	0.8
125.02376	0.4
131.03424	1.0
132.02090	1.4
133.02879	29.8
134.03276	1.0
135.04448	15.6
136.04774	0.7
143.03452	1.6
145.04999	0.2
153.05527	0.7
161.02386	100.0
162.02725	2.4
163.06073	0.5
179.03479	4.0
180.03862	0.2
205.07149	0.6
232.96132	0.2
247.12227	0.2
249.07716	0.5
261.07663	0.4
279.08640	0.3
297.09869	0.6
315.10855	2.8
359.88766	0.2
435.70822	0.2
443.15649	0.5
461.16760	3.3
462.17068	0.3
487.14777	0.4
496.68387	0.2
551.60938	0.2
623.19952	28.1
624.20233	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	623.1993
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00480	0.4
59.01263	10.9
69.58267	0.6
69.58683	1.2
71.01273	4.9
72.99203	0.4
73.02840	1.5
83.01277	0.4
85.02815	1.2
87.00768	1.7
87.04398	0.6
89.02341	5.6
98.19801	0.3
101.02352	5.1
103.03918	0.5
105.03375	0.4
113.02354	1.6
114.81710	0.2
115.03923	1.1
117.03391	0.9
119.03426	3.9
123.04462	1.7
126.26543	0.3
131.02576	0.3
131.03404	1.3
132.02122	1.4
133.02884	31.3
134.03262	0.9
135.04453	23.2
136.04764	0.9
143.03473	1.7
145.04967	0.3
149.05998	0.7
153.05560	1.0
161.02393	100.0
162.02725	5.4
163.03944	0.4
177.05522	1.0
179.03464	2.9
198.78178	0.3
205.07166	0.9
221.04485	1.4
222.04918	0.3
281.06674	0.8
315.10938	5.4
316.11230	0.5
461.16772	7.9
462.16928	0.5
477.14166	0.4
566.39520	0.3
580.64679	0.3
623.19977	62.4
624.20270	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	623.1994
Annotation	Forsythiaside
Peak:m/z	Relative Intensity
51.58974	0.3
59.01266	3.4
65.97945	0.3
66.45345	0.3
70.34636	1.0
71.01272	2.2
73.02831	0.6
74.18264	0.3
85.02850	0.8
87.00774	0.5
89.02330	3.2
101.02352	3.5
103.03928	0.5
111.93692	0.3
113.02371	1.9
115.03941	0.7
116.72102	0.3
117.03364	0.4
119.03410	3.5
131.03433	1.0
132.02078	0.8
133.02882	11.1
134.03198	0.5
135.04454	14.5
136.04729	0.9
143.03415	1.4
153.05496	0.4
161.02391	100.0
162.02737	5.4
163.06009	0.4
163.86061	0.3
179.03407	1.8
183.15549	0.3
205.07138	1.0
209.08231	0.5
249.07771	0.9
261.07593	0.3
279.08911	0.3
315.10913	5.0
316.11325	0.6
330.54712	0.3
387.30298	0.3
417.58157	0.4
440.91788	0.3
461.16745	8.8
462.17041	0.9
466.90405	0.3
487.14664	0.7
560.02539	0.3
623.19940	64.2
624.20288	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	623.1994
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	6.1
63.93559	0.4
68.29630	0.3
71.01279	3.4
72.99176	0.4
73.02840	0.9
85.02843	0.8
87.00739	0.7
87.04438	0.4
89.02340	4.1
94.51142	0.4
95.62589	0.3
101.02364	4.7
113.02332	1.9
115.03925	0.8
117.03423	0.6
119.03426	4.0
123.04439	0.6
131.03429	1.1
132.02115	1.4
133.02887	24.4
134.03223	0.8
135.04448	16.7
136.04767	0.5
143.03438	1.0
145.02866	0.7
153.05504	0.8
161.02394	100.0
162.02721	3.9
163.06102	0.5
175.03964	0.5
177.53049	0.3
179.03452	1.5
181.78394	0.4
205.07059	0.6
233.26947	0.3
234.14732	0.3
243.06639	0.5
249.07689	1.0
261.07736	0.5
279.08804	0.8
297.09912	0.6
315.10895	4.5
380.11880	0.4
461.16769	8.3
462.17075	1.3
477.15259	0.5
623.19989	61.5
624.20233	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	623.1422
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01335	2.5
61.98768	0.5
63.02330	1.0
65.00256	1.2
67.39851	0.5
69.74625	0.5
70.47102	0.9
70.47498	1.2
71.01276	2.3
73.72570	0.4
83.01359	1.3
85.02925	0.5
87.00822	0.6
89.02438	1.5
91.09212	0.5
93.03364	2.3
95.31155	0.4
101.02377	1.1
107.01315	2.4
108.02184	1.0
113.02398	0.7
117.03375	5.5
119.04947	5.2
120.12920	0.5
124.01733	0.7
125.02438	0.8
132.02177	1.0
133.02884	11.9
134.03262	0.5
135.04428	5.7
136.04875	0.6
137.02365	3.5
145.02892	19.6
146.03200	0.6
147.04553	0.6
148.01717	0.7
151.00314	7.8
152.00885	0.5
155.05034	0.5
159.04514	1.1
161.02388	33.7
162.02884	1.7
163.00354	1.0
163.03958	3.5
164.01143	0.9
164.63063	0.6
171.04478	1.1
179.03529	1.4
183.04538	2.1
185.02539	0.8
187.04073	2.2
199.03987	7.4
201.01985	1.1
203.03502	0.9
211.03963	1.0
215.03561	2.3
216.04161	0.5
221.42830	0.6
227.03497	10.0
228.04166	0.6
242.02307	4.3
243.03015	31.4
244.03534	3.7
254.02269	0.8
255.03018	23.4
255.06517	2.6
256.03494	2.9
257.04608	3.4
259.05997	0.6
260.06226	0.6
270.01724	3.3
271.02533	56.5
272.03058	7.8
284.03262	3.4
285.04074	10.2
286.04810	4.1
287.05600	2.4
299.02036	62.4
300.02762	45.1
300.07788	0.7
301.03238	3.4
307.08319	5.7
314.04398	41.9
315.05154	94.0
316.05521	7.3
322.00403	0.6
323.07892	0.5
436.38968	0.5
461.16406	1.9
475.20618	0.6
477.10358	2.1
517.74585	0.7
623.13666	100.0
624.14130	21.3
646.77509	0.6
647.58807	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2054
Annotation	Unknow
Peak:m/z	Relative Intensity
57.29422	0.4
59.01270	1.9
67.01759	0.4
71.01273	1.6
71.04713	0.6
73.02841	1.5
78.95809	0.3
81.03344	0.5
83.04896	0.5
85.02846	11.4
87.00774	2.4
89.02352	1.1
93.03361	4.2
99.04433	1.1
101.02354	0.4
109.02865	1.2
111.04414	1.5
113.02344	0.4
117.01850	0.3
117.05495	0.7
127.03944	2.2
128.11395	0.3
137.02347	0.5
171.03003	0.4
173.04514	3.4
191.05595	100.0
192.05917	3.7
219.65987	0.4
279.10901	3.6
305.87961	0.4
581.33606	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.1424
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01022	1.0
59.01344	9.3
61.98798	2.1
63.05283	0.5
64.35411	0.5
65.00281	1.3
69.03403	0.8
69.24711	1.1
69.49625	3.6
71.01358	7.7
72.99249	0.7
73.02927	2.7
80.96486	0.9
81.27825	0.5
83.01367	1.7
85.02936	2.1
87.00871	2.2
87.04486	0.6
89.02346	5.7
89.03967	0.5
95.01306	0.6
101.02362	6.6
103.04032	0.5
106.49470	0.5
107.01384	1.8
109.02872	0.5
113.02354	3.5
117.03377	4.7
119.03457	2.7
119.04939	5.2
123.04519	1.2
125.02457	1.5
131.03500	1.6
132.02116	3.0
133.02887	34.4
134.03401	1.8
135.00937	0.7
135.04463	25.0
136.04797	3.7
137.02469	1.0
143.03491	2.1
143.05032	0.9
145.02899	16.9
146.03299	1.5
149.06039	1.2
150.03214	1.0
151.00317	8.1
151.11510	0.6
151.35907	0.5
153.05458	0.8
157.02951	0.8
159.04521	0.9
161.02400	100.0
162.02757	8.4
163.00424	1.6
163.03960	3.0
163.06061	1.2
164.01178	0.7
167.03473	1.1
169.01457	1.0
169.02937	0.6
171.04498	0.8
175.03995	1.7
177.05525	0.7
178.99835	0.6
179.03462	18.6
180.03792	5.6
183.04498	1.4
187.04025	1.3
199.03993	6.7
201.01910	1.5
203.03481	2.6
204.03877	0.7
205.06978	0.7
207.10202	0.9
211.03912	1.3
215.03532	2.7
216.04041	1.2
225.11290	1.3
226.02557	0.7
227.03482	6.9
228.03993	1.0
229.01425	0.5
233.12454	0.5
242.02161	2.7
243.03020	25.7
244.03601	2.7
249.07649	0.8
254.02109	1.0
255.03032	21.7
256.03558	3.1
257.04553	3.2
259.06125	1.3
270.01779	3.7
271.02545	48.8
272.03088	7.2
279.08749	0.8
281.06613	0.8
283.02441	0.6
284.03348	2.6
285.04086	7.4
286.04828	2.9
287.05389	2.3
297.09708	0.8
299.02051	56.6
300.02789	42.5
301.03174	3.2
307.05103	0.5
307.08322	6.3
313.03387	1.0
314.04419	36.9
315.05182	94.8
315.10345	5.2
316.05450	8.0
323.07550	1.6
392.11414	0.7
461.17004	5.7
461.22781	0.8
472.15073	1.3
477.09647	2.2
487.14517	3.1
488.14905	3.1
623.12299	75.0
623.33929	2.6
624.13367	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	621.184
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27653	0.9
58.14133	1.2
59.01268	8.0
61.98719	1.2
64.75502	0.9
70.60243	2.1
70.60578	1.1
71.01277	4.9
72.99207	5.3
73.17989	1.1
75.00745	1.4
85.02837	2.7
87.00776	1.9
87.04388	1.9
89.02347	4.6
93.03376	1.4
99.00777	1.2
101.02345	3.6
109.02866	12.6
113.02362	3.3
115.03902	1.5
117.03397	1.2
119.03383	1.2
119.04905	3.3
121.02866	3.6
123.04434	15.5
125.02380	2.9
125.35528	1.1
132.02029	1.5
133.02893	29.2
134.03275	1.3
135.04451	24.0
135.09088	1.2
137.02382	3.5
143.04948	1.2
145.02901	4.0
147.04503	1.6
149.02379	5.1
150.03204	5.2
151.00287	2.1
151.03917	2.2
153.05507	6.3
158.03706	1.3
159.04465	8.0
160.49109	1.2
161.02396	100.0
162.02759	3.4
163.03938	4.2
167.04959	2.6
171.04471	5.6
172.05164	1.5
173.02373	2.8
173.05960	5.0
174.03149	3.9
175.03955	4.8
177.01990	1.3
177.05547	1.5
179.03468	10.8
183.04475	4.2
185.06071	10.3
187.03946	9.7
188.04648	2.4
189.05493	3.5
195.04483	1.4
197.79800	1.2
199.03986	8.1
200.04742	3.7
201.05557	15.9
202.02740	2.0
202.06104	1.7
203.03476	4.0
211.04019	7.8
212.04814	1.4
213.05565	6.2
215.03523	9.5
216.04144	2.0
217.05057	3.8
221.04530	1.5
223.04068	1.1
227.03485	6.2
229.05086	51.6
230.05322	5.1
231.02974	1.6
231.06587	1.6
239.03401	1.2
241.05055	6.0
242.02252	3.1
243.03011	8.4
245.04562	4.1
247.06012	2.4
255.03040	6.3
257.04538	7.0
259.06195	9.2
267.06717	1.2
272.03140	1.1
273.04108	24.8
274.04584	2.3
275.05725	19.0
276.06055	1.8
285.04199	12.3
287.05713	3.2
303.05188	14.7
335.07773	1.6
361.09326	2.9
365.10056	1.2
383.11411	5.0
389.08856	24.1
390.09384	1.6
395.11456	2.0
409.09045	1.2
413.12366	2.6
421.11536	3.3
427.10480	11.3
428.10944	2.0
439.10300	2.2
449.10999	4.4
457.11542	30.1
458.11966	4.9
467.11945	1.7
477.14120	46.5
478.14813	5.1
487.14740	3.0
603.17322	16.7
604.17761	2.2
621.18414	39.6
622.19360	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	620.1634
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	10.5
65.00217	7.7
65.99725	4.1
70.75816	1.8
71.01263	5.9
71.57481	3.0
71.57846	2.5
73.02820	2.8
74.55453	2.0
75.31699	2.4
81.57932	1.9
83.01311	3.7
83.04913	3.1
83.46441	2.0
85.02848	5.4
87.00780	2.2
89.02348	3.4
89.69525	2.1
93.03367	10.0
95.01271	2.8
96.95912	30.4
101.02342	5.3
107.01292	10.5
109.02834	4.7
111.00800	2.7
113.02368	6.0
117.03373	3.0
121.02875	8.2
121.25465	2.0
123.00824	4.8
123.04447	12.5
125.02400	3.9
132.02048	12.5
133.02887	37.7
134.02380	9.0
135.00778	3.4
135.04440	15.9
135.35117	2.1
137.02393	26.0
145.02831	2.7
146.02391	3.1
147.04408	3.5
149.02376	6.0
149.06023	2.3
150.03191	7.4
151.00311	36.1
151.03967	5.8
153.05519	2.5
158.02371	3.4
159.02962	4.6
159.04436	3.3
161.02391	57.5
162.01933	17.9
162.09869	2.0
163.00317	10.8
163.02692	2.1
164.03447	29.5
169.01405	5.8
169.23744	2.2
173.06075	3.0
175.00365	3.0
175.03978	4.5
176.01091	6.2
177.01868	26.6
178.99818	13.5
179.03409	13.1
183.04483	2.8
186.01917	31.6
190.01404	9.8
191.05643	3.7
193.01526	3.4
199.03937	2.2
202.01378	2.5
203.00035	3.4
203.02214	6.7
204.02980	28.6
205.07201	3.5
211.04018	5.1
217.05064	3.3
225.93613	2.9
227.03481	18.8
229.05005	5.4
230.00919	2.4
238.05150	3.5
239.03471	6.4
243.02963	3.8
250.05139	3.6
255.03059	37.3
256.03571	4.2
266.04657	6.5
267.03156	3.0
268.03778	5.4
269.04617	30.2
270.04233	10.7
271.02560	6.9
272.03348	3.4
273.04205	3.4
278.04581	7.5
279.03021	14.6
280.03299	2.9
283.02551	13.6
284.03235	22.6
284.05817	3.3
285.03989	7.5
286.04437	2.5
287.07770	4.4
289.50919	2.6
294.04257	7.0
295.04956	7.5
296.03320	2.5
297.04105	10.9
298.04758	2.4
299.04462	4.8
300.02673	13.6
301.03601	42.8
302.03995	3.7
305.03394	6.0
306.04120	32.0
307.04672	4.8
314.04437	2.9
321.06265	3.6
323.04416	45.7
324.05176	85.4
325.05496	9.0
326.03030	3.7
340.04770	2.8
341.05438	57.1
342.05893	7.8
467.12149	5.2
477.14169	5.9
500.14322	16.4
501.14890	3.1
526.12433	3.9
553.16376	2.8
563.14185	9.0
579.13708	7.4
602.15326	52.3
603.16016	6.2
620.16370	100.0
621.17401	31.3
637.14380	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	619.2051
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03356	0.4
59.01266	5.8
60.01674	0.4
61.98726	1.7
66.03067	0.3
71.01266	7.2
71.60217	0.5
72.99213	0.6
73.02850	2.2
83.01304	0.5
85.02861	2.1
87.00778	0.9
89.02338	3.1
89.03869	0.5
91.05443	0.8
93.03355	0.7
95.01294	0.8
96.95902	3.1
99.00789	2.0
101.02346	4.5
107.04948	2.1
108.02073	0.5
109.02853	0.5
113.02345	2.5
116.92796	0.6
117.03387	4.8
119.03429	1.1
119.04934	4.1
121.02930	0.5
123.04445	0.9
125.02428	0.5
131.03491	0.5
132.02084	0.9
133.01863	0.7
133.02884	19.2
134.03690	8.9
135.04448	100.0
136.04779	3.4
137.73860	0.5
143.03510	0.4
145.02892	22.6
146.03255	0.8
147.04460	0.6
148.05232	14.0
149.06021	32.6
150.06352	1.4
161.02391	56.2
161.04567	1.7
162.02693	2.1
163.03951	4.2
163.07605	9.9
164.08015	1.0
171.10258	0.4
171.16374	0.4
175.04030	0.6
177.05519	0.4
179.03464	68.2
180.03748	3.3
181.05080	0.4
203.03517	0.8
205.05078	0.5
247.06197	0.5
307.08307	12.8
308.08624	0.8
311.11450	2.5
392.12231	2.6
392.62564	0.5
450.20706	0.4
457.15158	17.8
458.15350	2.2
461.24643	0.4
464.41776	0.4
619.20319	50.0
619.75098	1.2
620.20306	10.2
620.34406	0.5
642.69226	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2576
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
56.82896	0.7
71.35671	1.3
79.99224	0.6
175.59468	0.6
198.23972	0.8
212.04594	0.7
216.21962	0.7
218.28384	0.8
265.71841	0.7
389.15207	0.7
401.13916	1.6
415.15686	3.0
416.16495	10.5
417.16788	2.2
429.17346	1.5
430.18015	2.6
431.18942	1.6
444.16077	1.1
458.17322	1.6
459.18344	100.0
460.18747	17.8
473.19885	15.7
474.20657	7.7
475.21567	1.0
485.16699	0.9
499.17834	0.7
501.19385	2.0
503.17328	3.2
511.19724	1.1
517.18982	1.5
518.19659	47.6
519.20032	8.9
532.21216	8.9
533.22034	91.2
534.22351	15.0
587.23138	7.0
588.23163	1.4
619.25745	87.4
620.25983	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	619.3721
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18962	0.3
59.01265	100.0
60.01605	1.1
61.98745	0.3
71.01273	1.7
71.58090	0.4
71.58469	0.6
85.02841	0.7
96.95987	0.5
101.02374	0.9
113.02362	0.6
125.02365	0.4
143.03488	0.5
161.02390	0.9
161.04515	0.7
176.00575	0.4
257.04547	0.4
332.21732	0.3
355.28473	0.6
499.32886	4.2
517.33923	2.6
559.34955	4.0
560.35681	0.9
619.22119	0.5
619.47443	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2049
Annotation	Dracunculifoside N
Peak:m/z	Relative Intensity
50.03475	0.3
59.01269	2.5
61.98708	1.5
70.44462	1.0
71.01283	1.9
73.02845	0.7
75.37952	0.3
77.03806	0.2
83.01311	0.3
85.02856	0.8
87.00794	0.3
89.02358	1.1
89.03839	0.3
93.03335	0.4
96.95919	1.4
101.02364	1.2
101.20577	0.2
105.03378	0.7
107.04938	0.7
108.02072	0.4
109.02852	0.3
112.48125	0.2
113.02380	1.0
116.92731	0.3
117.03372	1.1
119.03434	0.5
119.04934	0.5
121.02859	0.4
122.03716	0.3
123.04501	0.5
125.02383	0.5
132.02118	2.5
133.02881	35.0
134.03731	2.0
135.04449	36.1
136.04768	1.6
137.02338	0.5
139.03957	0.4
141.01659	0.3
147.04485	0.9
148.05257	1.4
149.06021	42.4
150.03192	0.5
150.06358	2.3
157.23035	0.2
160.01602	0.4
161.02388	100.0
162.02736	4.1
163.07646	0.4
165.05463	0.6
175.03938	0.5
177.05493	0.5
179.03461	31.2
180.03818	1.3
183.04456	0.4
191.05632	0.6
193.04962	0.5
195.06685	0.3
196.07076	0.3
203.03551	0.6
227.03522	1.1
255.03067	2.1
283.02521	4.0
284.03235	0.7
285.04077	1.0
295.11743	0.7
307.08221	0.5
311.11258	0.4
323.07773	16.0
324.08105	0.9
388.54440	0.3
392.12271	1.2
392.62308	0.4
395.07770	0.3
426.87863	0.3
437.96942	0.3
469.13730	0.4
473.14633	21.9
474.15027	2.7
543.51764	0.3
619.20337	32.3
619.75439	0.6
620.20441	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	617.2831
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01789	2.5
59.01265	89.3
61.98725	10.3
63.55417	2.0
64.99894	1.6
69.03343	2.2
70.14204	2.3
70.14479	8.9
70.25627	1.8
71.01273	65.0
72.99199	5.3
73.02835	34.1
75.00739	2.7
75.65760	1.7
81.03335	3.8
83.01281	11.0
85.02844	42.0
86.07463	1.7
87.00779	7.1
89.02341	26.6
94.12622	1.8
95.01300	7.8
95.04910	1.8
96.95914	5.9
97.02853	7.2
98.20502	1.8
99.00768	15.7
101.02349	44.4
113.02369	28.4
117.03345	3.4
119.03423	5.1
119.04954	3.4
124.01562	29.1
125.02378	12.7
131.03534	3.8
133.02890	6.0
135.04471	6.0
137.02356	2.4
139.03934	5.0
143.03400	9.0
145.02943	4.4
149.04521	3.4
149.05989	6.1
150.03131	2.4
155.42267	2.0
159.02885	5.3
161.02397	18.2
161.04498	24.2
162.02684	2.1
169.85498	1.9
171.10245	9.1
179.03459	3.5
205.07129	1.9
209.11873	9.0
235.17101	3.2
237.18550	4.2
237.35695	1.8
295.19098	2.3
308.34430	1.9
343.59732	2.0
345.20645	12.4
381.22855	5.8
399.24036	10.5
418.03693	2.3
441.25067	4.7
513.27197	54.9
514.27338	9.3
531.28235	100.0
532.28674	11.5
549.01080	1.9
573.29291	56.0
574.29468	7.6
617.22388	2.6
618.27570	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	615.334
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23672	0.3
55.15788	0.3
59.01265	0.8
61.98709	0.3
71.01261	0.7
71.50852	0.4
73.02840	0.3
78.95799	0.4
85.02834	0.4
89.02353	0.4
93.03372	0.5
101.02354	0.3
104.37436	0.3
113.02366	0.4
117.03371	12.1
118.04163	0.5
119.04947	14.2
120.05260	0.6
121.02872	4.2
123.04427	1.4
133.02887	3.6
134.03676	0.8
135.04463	1.3
145.02885	62.3
146.03220	2.1
147.04443	0.3
154.89803	0.3
161.02399	6.0
161.27794	0.2
162.03195	1.4
163.03954	13.8
164.04353	0.4
170.89256	0.8
173.06071	0.3
179.03432	0.7
202.06343	0.9
203.03514	0.3
210.06856	0.8
211.07619	5.7
211.13457	0.4
212.07999	0.5
217.00500	0.3
223.07716	0.5
235.07671	0.3
237.09348	0.4
263.07175	0.8
270.56384	0.3
271.02402	0.6
282.40125	0.3
283.13437	0.3
289.17484	0.3
291.06537	0.4
298.09113	0.3
299.01971	1.0
299.16577	100.0
300.16919	10.2
300.20395	0.4
304.97766	0.2
315.16071	63.2
316.16443	6.0
318.96609	0.6
327.16141	0.4
389.20956	0.2
407.15677	0.3
413.37772	0.2
416.15698	0.4
416.65851	0.3
461.19827	0.3
463.21051	0.4
615.23236	0.7
615.33234	7.6
616.33905	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	615.3341
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12360	0.2
57.99790	0.2
65.05461	0.2
66.06225	0.2
69.73425	0.6
69.73837	0.9
72.51235	0.2
78.95827	0.3
90.95160	0.2
93.03361	1.9
115.74429	0.2
117.03372	5.8
119.04948	7.2
121.02891	2.3
123.04430	1.2
131.04927	0.3
133.02864	0.7
143.04971	0.4
145.02888	32.5
146.03221	1.4
151.11212	0.3
158.03807	0.2
162.03201	1.0
163.03954	7.4
164.04138	0.2
169.06462	0.4
170.89256	0.2
171.04440	0.3
182.07269	0.2
183.08177	0.4
193.06523	0.4
195.04530	0.2
209.06078	0.4
210.06853	13.2
211.07631	100.0
212.07983	7.3
221.06023	0.3
223.07675	1.3
235.07724	0.4
237.09238	1.3
241.67969	0.2
247.07634	0.3
262.06522	0.2
263.07162	1.6
264.07983	0.4
265.08826	1.1
281.08319	0.5
291.06699	0.6
299.16583	58.5
300.16910	6.5
306.37775	0.2
312.31097	0.2
315.16086	29.3
316.16461	2.7
318.96942	0.3
325.17651	0.3
392.02060	0.2
417.20837	0.3
445.20398	0.9
446.20416	0.3
461.19800	0.9
463.21628	0.4
527.92694	0.2
615.33386	18.4
616.33856	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	617.2044
Annotation	Unknow
Peak:m/z	Relative Intensity
60.95172	2.3
61.98723	6.5
63.02284	5.2
65.00214	8.1
71.59074	4.7
71.80184	2.1
73.62804	2.1
76.59599	2.5
78.95812	4.9
83.01293	8.9
95.01310	11.0
96.95913	4.0
98.95505	2.9
104.21594	2.3
107.01305	17.3
109.02863	39.0
111.00807	6.2
111.42116	2.3
117.03349	2.6
121.02870	14.2
121.25938	2.5
123.00761	2.5
124.01589	2.2
125.02370	6.6
125.92738	2.2
133.02878	8.9
135.00810	9.8
135.04422	3.7
145.02882	6.2
147.00729	2.6
151.00311	46.7
152.01019	6.5
152.99496	2.5
153.01871	12.0
159.04498	6.4
161.02394	17.7
162.03120	3.5
163.00320	42.4
163.03952	11.9
164.01047	6.9
165.01842	3.5
169.01450	3.7
171.04509	2.6
173.06067	3.8
175.03981	11.8
178.99812	17.5
183.04500	3.3
187.04001	8.4
189.01935	3.6
190.99843	19.5
195.99974	2.5
199.04103	4.3
201.01910	3.7
201.05496	5.7
203.03467	7.9
205.05057	6.3
206.99336	16.7
208.00137	5.6
211.03973	8.7
227.03493	16.9
229.05022	13.8
230.02206	3.7
231.02989	4.7
243.03088	5.0
245.04607	13.8
255.02924	13.4
259.32535	2.4
271.02521	48.4
272.02884	4.7
273.04105	100.0
274.04407	4.3
299.02045	70.5
299.16690	2.7
300.02417	6.7
317.03085	53.2
318.03296	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	615.3342
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02293	0.4
70.76955	0.3
70.77293	0.7
78.10499	0.3
93.03355	0.5
107.01266	0.3
117.03380	9.6
119.04946	13.0
120.05286	0.3
121.02879	4.2
123.04456	1.5
132.90181	0.3
133.02849	1.8
134.03641	0.3
143.04948	0.6
145.02890	50.5
146.03233	2.3
147.04384	0.5
151.00302	0.6
161.02335	0.5
162.03171	1.9
163.03957	12.9
164.04282	0.6
171.04431	0.5
175.04019	0.3
199.03952	1.7
201.01849	0.6
210.06860	4.7
211.07634	38.2
212.08040	3.1
215.03551	0.8
227.03450	0.8
237.09204	0.4
243.03047	2.1
254.02431	0.5
255.03001	0.4
271.02545	14.8
272.02921	1.7
299.02051	31.8
299.16583	100.0
300.02505	4.2
300.16925	10.6
301.03549	1.1
315.16071	60.7
316.16400	5.9
615.33173	4.2
615.41669	0.4
616.33966	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.3347
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55520	0.3
82.49304	0.3
93.03358	1.6
117.03373	13.8
118.04230	0.5
119.04946	22.2
120.05268	0.4
121.02863	4.9
123.04421	1.7
133.02858	1.2
134.03679	0.4
145.02892	71.5
146.03214	3.0
147.08110	0.7
151.00331	0.3
151.11220	1.1
152.01093	2.1
152.99570	0.6
159.04457	0.8
162.03195	2.0
163.03955	20.4
164.04300	0.8
171.04451	0.4
178.99817	3.9
189.63802	0.3
195.02890	0.4
210.06874	3.4
211.07646	27.1
212.07994	2.1
223.07594	1.0
235.07643	0.4
237.09277	1.8
255.02983	1.6
263.07162	1.2
265.08792	1.5
281.08386	0.6
283.02438	0.9
284.03375	1.0
291.06729	0.4
299.16592	100.0
300.16934	10.2
315.05377	5.9
315.16086	92.8
316.05615	0.5
316.12885	0.6
316.16428	9.2
445.20224	0.5
461.19754	0.7
615.33344	19.8
616.33698	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	615.334
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28038	0.1
70.59985	0.3
70.60316	0.1
93.03358	1.3
95.04958	0.2
113.27286	0.1
117.03366	1.0
119.04945	0.9
121.02885	0.2
123.04421	0.4
131.05022	0.2
132.03423	0.1
133.02895	0.4
134.03667	0.2
135.04410	0.1
137.02385	0.2
139.11221	0.1
143.04955	0.3
145.02892	4.2
146.03226	0.1
151.11209	0.2
153.12808	0.2
159.04471	0.2
161.02371	1.8
162.03178	0.2
163.03935	0.3
167.08612	0.1
169.06546	0.2
169.12282	0.1
171.04466	0.2
180.29216	0.1
181.06529	0.2
182.07365	0.2
183.08101	0.4
193.06601	0.3
209.06038	0.5
210.06862	10.2
211.07628	100.0
212.07973	7.1
213.08255	0.2
221.06105	0.1
222.06866	0.2
223.07646	1.8
235.07658	0.3
237.09262	0.7
247.07611	0.1
263.07187	0.9
264.07855	0.2
265.08759	1.1
266.09097	0.1
267.06601	0.4
281.08200	0.2
291.06787	0.3
292.06998	0.1
299.16605	3.9
300.16977	0.4
309.07837	0.8
315.16071	11.1
316.16339	1.2
377.21094	0.2
403.19284	0.4
417.20731	0.2
419.18024	0.2
419.23093	0.2
433.20319	0.4
445.20209	0.6
461.19824	0.8
462.20370	0.2
463.21362	0.2
573.31946	0.2
615.33374	10.6
616.33771	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	615.3342
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40701	0.2
52.26496	0.2
56.68481	0.2
71.14528	0.4
74.49643	0.2
93.03356	4.6
117.03357	1.1
119.04926	0.8
121.02834	0.4
123.04413	0.4
123.08020	0.2
129.03452	0.2
131.05002	0.3
133.02896	0.7
135.04454	0.4
141.03476	0.2
143.04973	0.5
145.02872	2.4
147.04460	0.4
151.11217	0.6
153.12775	0.8
159.04401	0.3
161.02394	1.3
163.03928	0.3
165.43552	0.2
169.02917	0.2
169.06555	2.1
171.04517	0.4
181.06549	0.2
182.07280	0.3
183.08105	0.7
187.03932	1.5
193.06509	0.3
195.04533	0.3
195.08212	0.3
196.05247	0.2
197.11850	0.3
207.08147	0.6
208.05377	0.2
209.06088	0.8
210.04832	0.4
210.06862	11.7
211.07629	100.0
212.07962	6.9
212.10020	0.3
213.01987	0.7
221.06154	0.5
222.07002	0.2
223.07616	1.8
233.06139	0.4
234.06856	0.3
235.07666	2.4
236.08226	0.4
237.05548	0.7
237.09230	0.6
239.07144	0.5
245.06120	0.3
249.05539	0.2
251.07129	0.8
253.08755	1.6
261.05664	2.4
262.06128	0.5
263.07175	2.4
264.07715	0.3
265.05286	0.2
265.05777	0.3
265.08737	2.6
266.08862	0.2
279.06650	1.1
280.07312	0.2
281.25867	0.2
288.04309	0.2
289.05103	3.6
290.05484	0.2
291.06726	0.6
297.07660	0.3
299.16580	2.4
305.15616	0.2
307.06149	0.4
309.07712	0.5
315.16104	2.9
316.16754	0.2
323.16684	1.4
339.16110	0.6
355.15475	0.2
358.34424	0.2
377.17374	0.3
391.19586	0.2
403.19153	0.8
405.20877	0.3
415.19278	0.9
417.20746	2.3
418.21326	0.5
419.18829	0.5
433.20276	0.8
434.20822	0.3
443.18692	9.8
444.19125	1.4
445.20297	2.7
446.20697	0.4
461.19708	1.9
557.32739	0.2
597.32324	0.4
615.33362	52.1
616.33679	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	615.2463
Annotation	Unknow
Peak:m/z	Relative Intensity
55.44648	0.7
59.01262	7.0
61.98711	2.4
70.71009	2.1
71.01273	5.0
72.99179	1.1
73.02842	2.2
77.99007	0.7
83.24596	0.7
85.02836	2.2
87.00800	1.2
87.87833	0.8
88.98702	1.0
89.02322	2.3
96.95908	2.9
99.00768	1.1
101.02351	2.8
107.04912	1.1
109.02889	1.1
113.02347	1.9
117.03423	0.9
119.03387	1.0
119.04932	1.4
121.02870	1.8
122.03671	1.0
123.04404	1.6
125.02370	2.2
131.03445	1.1
132.02081	1.1
133.02843	5.1
134.03668	1.2
135.04495	6.3
136.04803	1.0
137.02385	2.2
139.03911	0.8
145.02875	3.5
146.03691	1.3
146.85796	0.9
147.04414	1.7
148.05342	1.5
149.02368	2.8
149.05980	2.4
150.03162	9.0
151.00343	1.7
151.03908	1.2
153.01881	0.7
160.01613	3.7
160.03958	0.9
161.02400	14.5
161.06029	1.0
162.02921	1.4
163.03992	1.8
164.04761	1.4
165.01907	3.5
165.05516	7.9
175.03893	2.2
175.07570	0.9
176.04692	1.2
179.03464	3.6
179.07095	2.1
180.04239	2.5
181.04968	2.1
190.06345	1.4
191.03514	0.9
191.07095	3.4
193.04962	0.9
194.05803	2.9
195.06609	6.1
203.03522	1.3
205.08669	1.6
209.08176	2.9
210.06837	2.4
211.07785	4.1
211.13358	0.9
213.56122	0.8
219.04478	0.8
225.09483	0.8
226.06206	1.6
227.07214	0.9
237.05751	1.0
237.09225	1.0
238.06438	6.7
241.08722	1.3
249.05592	0.9
250.06448	1.0
253.08696	11.4
254.05859	2.4
254.09114	1.8
255.03090	1.1
259.06177	1.9
265.05270	1.0
266.05884	3.0
267.06552	1.5
269.08231	3.6
271.02435	1.1
277.05002	1.2
278.05933	3.7
279.06818	5.5
281.04810	1.4
281.08188	3.0
282.05405	9.8
283.06046	1.0
285.04047	1.0
286.08368	0.8
287.05597	1.2
291.06647	1.5
292.07410	4.2
293.08279	10.4
294.05383	5.1
294.09064	5.7
295.06012	1.3
296.07013	1.9
297.07745	39.5
298.08054	4.0
299.01984	1.3
300.02945	1.7
301.11023	1.1
307.09607	3.7
308.10400	4.5
309.07791	25.1
309.11261	4.0
310.07996	1.7
311.09464	4.5
312.10086	40.6
313.10504	4.7
314.08102	1.1
315.05167	2.7
323.09177	1.2
324.10107	14.9
325.10321	1.2
326.11618	2.3
327.08838	2.4
327.12427	37.7
327.16385	1.9
328.09274	0.9
328.12814	3.5
329.10455	1.1
330.07556	1.3
339.12405	10.6
340.12842	1.5
341.10300	2.4
342.07297	1.1
342.11081	1.5
345.09946	2.1
353.03284	0.8
356.12756	2.6
357.09818	15.8
357.13510	1.1
358.10175	2.1
360.12210	10.2
361.13110	1.2
372.12238	7.3
373.12485	0.9
375.14575	94.5
376.14914	10.4
387.14587	100.0
388.14923	13.8
389.16470	3.9
392.12073	1.2
405.15503	1.4
443.15976	0.9
461.16559	1.0
509.12955	1.3
534.66730	1.0
537.21448	14.0
538.21802	2.4
567.22467	9.1
568.23187	1.8
575.10571	1.1
579.22705	0.8
585.23413	5.2
597.23584	1.9
614.74799	1.2
615.15381	0.9
615.24506	15.8
615.75439	1.1
616.25214	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	615.2096
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03337	8.7
59.01268	2.6
61.98721	3.5
63.02283	1.1
64.89139	0.5
65.00213	3.4
68.99712	0.5
69.03337	0.5
71.01266	2.5
71.59187	0.7
72.99197	0.7
73.02835	0.9
81.03356	2.1
83.01277	7.6
85.02859	0.8
87.00758	0.7
89.02380	1.0
93.03383	2.4
96.95944	0.9
97.02856	1.4
101.02366	1.3
107.01295	5.0
107.04944	1.7
108.02182	0.5
109.02880	1.3
111.00754	0.7
113.02381	1.0
117.03378	1.8
119.04980	0.9
121.02878	2.0
123.04443	1.7
124.01585	1.8
125.02365	71.6
126.02717	1.9
131.03442	0.4
133.02870	4.9
135.04428	4.1
137.02354	2.8
139.00346	0.6
139.03952	1.6
145.02872	1.5
145.06580	0.6
149.02365	5.5
149.06053	1.0
150.03146	1.7
151.00307	20.3
151.03889	1.5
152.01102	4.7
153.01884	9.6
159.04457	1.1
161.02382	8.2
161.04503	0.6
163.00352	1.3
165.01892	5.4
165.05550	1.5
166.02504	1.4
167.03508	0.9
169.01413	1.2
169.06541	1.4
171.04442	0.8
172.05301	1.2
173.06024	4.0
175.04008	1.8
175.07663	0.9
175.71625	0.5
176.01079	1.9
177.01880	1.4
177.05519	2.5
178.99820	10.2
179.03444	6.0
180.04254	3.1
181.04994	1.9
181.06543	1.2
191.03365	0.8
191.05511	0.5
195.06619	4.4
196.05260	0.8
196.06924	1.1
197.06013	1.3
199.03978	0.8
199.07573	1.2
201.05548	3.3
203.03534	1.3
213.05507	0.8
215.07161	4.6
219.06616	0.7
225.05524	2.9
225.07689	3.7
227.03432	0.8
241.05099	3.0
243.06618	5.7
255.03050	0.6
259.06158	69.0
260.06479	4.6
268.03745	0.7
269.04602	59.8
270.04962	5.5
271.02643	1.2
283.06229	1.0
284.03421	0.6
287.05664	36.1
288.06012	2.8
299.02020	2.3
311.05695	0.9
370.05255	0.5
392.12268	0.9
449.27753	0.7
482.25314	0.6
507.14984	0.6
534.22113	1.8
534.72253	0.8
597.19922	1.7
615.20923	100.0
615.74353	1.4
616.21149	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	615.21
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03337	11.6
59.01268	4.8
61.98721	4.1
65.00211	4.0
66.78970	0.6
68.99699	0.8
69.45953	1.4
69.46364	4.2
71.01274	3.1
72.99201	0.7
73.02851	1.5
75.43612	0.7
81.03352	4.1
83.01274	11.3
85.02853	1.0
89.02338	1.1
90.25571	0.6
93.03338	4.3
95.01323	0.9
95.04923	1.0
96.95909	1.8
97.02855	2.3
99.00825	0.7
101.02349	2.3
101.43812	0.6
107.01292	6.8
107.04941	1.6
108.02110	1.1
109.02862	2.5
111.00780	0.7
113.02359	1.3
117.03342	1.2
119.04932	1.8
121.02875	2.5
123.04436	1.6
124.01596	1.7
125.02367	88.1
126.02739	2.7
131.04955	1.2
132.02155	0.8
133.02893	6.1
134.03714	0.7
135.04446	4.0
137.02368	2.4
139.03931	2.4
142.31868	0.6
143.03429	0.8
145.02867	1.1
149.02379	5.9
149.06010	2.2
150.03204	1.0
151.00311	26.5
151.03944	1.4
152.01112	5.9
153.01883	10.9
155.04979	0.8
156.36847	0.6
157.06512	1.3
158.03613	0.7
159.04465	1.6
161.02373	8.2
162.02774	1.4
163.00272	0.8
163.03986	0.7
165.01840	3.2
167.03432	1.6
169.01347	2.0
169.06563	0.9
171.04387	1.2
172.05261	3.9
173.06012	8.1
175.00551	0.8
175.03970	2.2
176.01126	1.5
177.01903	1.3
177.05504	4.6
178.99814	16.1
179.03436	4.6
180.04164	0.7
181.05000	1.1
181.06502	0.8
183.10274	1.5
187.07607	0.9
195.06586	1.2
196.05273	0.9
197.06056	2.2
199.03990	1.5
199.07619	2.0
201.05537	4.0
203.03394	1.4
213.05586	1.5
215.07132	9.2
219.06633	0.8
225.05634	5.2
225.07645	1.4
226.05959	1.0
241.05116	3.3
243.06662	8.3
255.02927	1.0
256.07385	1.2
259.06165	100.0
260.06519	8.5
269.04605	58.1
270.04929	4.5
271.09772	1.3
283.06177	7.2
287.05676	63.3
288.06104	4.9
299.01874	1.0
301.07220	1.9
311.05603	1.8
392.12354	1.3
525.21497	1.3
555.21179	0.7
587.21277	7.8
588.21930	1.4
597.19360	1.4
615.20831	99.1
615.75519	2.0
616.21277	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	615.1884
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02271	0.6
65.00211	1.2
71.59268	0.9
83.01305	0.5
87.88740	0.5
93.03363	1.6
97.76147	0.5
107.01319	1.3
107.66419	0.5
109.02855	0.7
117.03398	3.3
119.01301	0.7
119.04935	2.4
121.02859	1.8
123.04447	0.8
133.02873	2.5
135.00792	0.6
143.04961	1.8
145.02879	15.1
151.00272	2.9
161.02393	1.4
163.03978	2.8
171.04475	2.5
175.03937	1.0
178.99872	0.7
187.03955	0.8
199.04010	6.3
201.01904	1.6
210.06871	3.3
211.07645	26.9
212.07965	1.1
215.03447	2.4
223.07646	2.0
226.02780	1.9
227.03522	3.3
228.03862	0.8
237.09149	2.0
242.02220	1.0
243.02988	5.2
255.03014	1.6
255.64436	0.6
263.07217	2.0
265.08734	1.0
271.02539	47.5
272.02869	3.2
281.08328	0.9
291.06723	1.2
299.02032	100.0
299.16583	18.5
300.02475	10.3
300.16913	1.3
301.03638	3.4
306.04578	0.5
309.07794	0.6
315.16064	16.3
316.16495	0.8
406.77368	0.6
433.20547	2.6
448.09030	0.6
461.19742	4.2
462.20343	0.6
615.33374	25.0
615.43427	1.2
616.33441	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	613.2307
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01271	2.9
61.98722	3.6
71.01273	1.8
71.57845	0.8
72.99189	0.8
73.02844	0.8
76.79205	0.5
78.95764	0.5
85.02820	0.5
89.02357	1.2
93.03354	3.6
95.01280	0.7
96.95952	0.8
101.02365	1.3
103.44971	0.5
105.01868	0.5
105.03331	0.5
109.02887	1.8
109.38743	0.5
109.72900	0.5
119.04964	0.8
121.02874	5.6
122.03662	12.0
122.17131	0.5
123.00806	0.9
123.04477	1.0
124.01630	1.1
125.02378	1.6
133.02905	3.1
134.03683	0.5
135.04430	3.4
136.01581	3.2
137.02396	7.7
139.03957	1.2
142.72368	0.4
145.02925	1.7
149.02385	17.8
149.06024	0.5
150.03171	86.3
151.00284	3.9
151.03752	5.0
152.01140	0.8
152.04449	0.8
153.01949	0.7
161.02367	5.8
162.02789	0.5
164.04730	4.8
165.01891	24.4
165.05528	100.0
165.63591	0.5
166.02669	12.1
166.05820	3.7
167.03461	2.5
174.01683	0.5
175.03966	1.2
177.01917	1.0
177.05545	1.1
179.03453	7.2
179.07112	0.6
180.04248	19.2
181.05031	13.2
182.05460	0.9
187.03961	1.2
192.04233	0.5
193.04962	1.2
194.05775	1.0
195.06610	93.8
196.06927	5.6
199.13490	0.5
202.06325	0.7
203.03450	0.8
205.05045	2.8
206.05801	0.6
207.06602	0.6
210.05284	3.5
220.07411	1.1
221.08104	0.9
225.07698	21.1
226.08005	1.3
243.76784	0.5
270.11536	0.5
329.10309	0.7
339.08688	0.6
347.10025	0.5
357.13602	1.9
372.12186	1.0
384.12512	0.7
387.10809	1.3
387.14740	11.3
388.15100	1.4
392.12204	4.0
392.62448	0.7
402.13412	1.1
403.13754	2.3
417.10251	1.0
417.15652	16.0
418.15933	2.7
510.32089	0.6
535.19354	0.8
565.20728	7.7
566.21246	1.6
595.22028	0.7
613.22906	2.8
614.22571	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2306
Annotation	Unknow
Peak:m/z	Relative Intensity
55.04405	0.3
59.01258	1.1
61.98726	1.5
67.01794	0.8
67.10819	0.3
71.01275	1.1
71.58176	0.4
72.99209	0.7
88.98701	0.5
89.02328	0.6
93.03352	0.3
96.95915	1.4
99.00729	0.4
101.02351	0.8
106.86517	0.3
107.04977	0.5
109.02859	1.0
113.80832	0.3
121.02879	0.6
125.02390	1.0
133.02872	0.8
135.00826	0.3
135.04433	1.5
136.01599	1.6
137.02368	17.0
145.02832	0.7
147.00964	0.5
149.02322	0.5
149.06024	0.5
150.03181	0.9
151.00351	0.6
151.03958	1.4
151.21587	0.4
153.01875	0.6
153.05534	0.4
159.04413	0.5
160.01601	0.4
161.02414	2.6
163.03925	1.2
164.01128	2.4
165.01881	100.0
166.02237	4.4
175.03993	0.6
176.04706	0.4
177.01978	0.4
177.05582	2.1
179.03458	22.3
179.07010	0.7
180.04242	56.4
181.04622	2.7
190.06285	0.5
194.05838	4.4
194.07445	0.6
195.03020	3.1
195.06602	71.3
196.06944	3.4
203.07196	0.4
204.93028	0.3
210.05324	12.6
211.05753	0.6
219.06583	0.5
222.05154	0.4
224.06940	0.6
225.07683	63.8
226.08040	3.0
227.03520	0.4
238.06482	0.4
240.07884	0.5
253.08687	0.5
259.06207	0.7
267.06668	0.6
268.07452	2.0
269.04642	0.8
278.05792	0.4
280.07434	0.6
281.08295	0.5
283.06064	0.4
283.09836	1.3
293.08463	0.6
295.06155	0.9
296.07004	1.1
297.07892	0.5
297.11371	0.7
299.09232	0.7
307.09619	0.6
308.06998	0.7
308.10678	1.0
309.07767	1.1
309.11243	0.5
311.09283	1.1
312.06601	1.7
313.07193	0.5
313.10706	0.5
322.08569	0.7
323.09247	2.1
324.06369	0.8
324.09982	1.4
325.10852	2.1
326.07941	0.5
326.11569	3.2
327.08759	5.1
327.12262	0.3
328.09387	0.7
337.10684	0.4
338.11664	0.7
339.08765	6.7
339.12445	1.7
340.09265	1.0
341.14001	0.8
342.11160	4.4
343.11649	1.1
354.11130	2.5
355.11868	0.4
356.12695	0.4
357.13504	18.6
358.13913	2.0
369.13486	21.4
370.13846	2.1
392.12387	0.4
392.62115	0.6
487.14032	0.8
491.17657	0.4
502.15518	0.3
505.15125	0.7
517.18695	0.5
519.16785	0.7
535.20544	3.6
536.19818	0.9
547.20013	0.6
565.20886	33.3
566.21094	6.3
583.21954	0.9
613.23016	3.6
614.22467	0.7
615.45367	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2307
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	1.9
61.98714	4.6
67.01770	0.6
69.46916	2.9
71.01272	1.7
72.99200	0.5
73.02810	0.4
76.58334	0.3
81.03366	0.8
81.59340	0.3
85.02834	0.7
87.00832	0.3
88.98707	0.5
89.02341	0.4
93.03354	3.9
95.01271	1.0
95.04942	0.8
96.95905	0.6
97.02855	0.4
98.20650	0.4
101.02355	0.9
105.03362	0.6
107.04939	0.8
108.02097	0.6
109.02865	4.2
111.00760	0.5
113.02345	0.5
117.03336	0.5
119.04919	0.8
119.87470	0.4
121.02872	7.5
121.06516	0.4
122.03658	13.4
123.00805	1.7
123.04407	1.4
124.01579	1.2
125.02354	0.9
126.33963	0.3
131.04936	0.7
133.02867	3.8
134.03639	1.0
135.00746	0.3
135.04451	3.5
136.01604	5.0
136.04889	0.4
137.02376	17.6
138.02905	0.6
139.00296	0.7
139.03940	1.5
145.02873	2.4
146.03651	0.4
147.04431	0.9
148.01637	0.6
149.02382	26.6
149.05992	1.0
149.55139	0.3
150.03165	89.5
151.00307	6.0
151.03923	8.6
152.01131	1.8
152.04747	3.0
153.01886	0.9
153.05508	0.9
154.02632	0.7
159.04471	1.4
160.01613	0.4
160.05161	0.4
161.02382	4.7
161.04509	0.3
161.06024	0.6
162.03197	0.7
163.03926	0.9
164.01088	0.6
164.04739	5.0
165.01886	32.4
165.05516	100.0
166.02667	18.0
166.05815	4.6
167.03430	3.4
168.04050	0.3
172.05254	0.5
174.03139	0.5
175.03952	3.2
176.01056	0.3
176.04808	0.8
177.01912	1.2
177.05501	2.2
178.02719	1.0
179.03459	9.7
179.07069	1.1
180.04243	23.8
181.05017	24.4
182.05353	1.1
184.03729	1.6
187.03970	2.9
188.04672	0.8
189.05556	1.2
190.02695	1.1
190.06296	2.4
191.03467	1.0
192.04269	1.0
193.05054	2.2
194.05804	1.4
195.06602	75.2
196.06940	3.3
202.06366	0.8
203.03467	1.1
203.07162	0.4
204.04253	0.7
205.05038	6.4
205.08717	0.9
206.05682	0.7
207.06645	0.9
210.05315	3.6
219.06635	1.1
220.07355	3.8
221.08154	1.7
223.06018	0.4
225.05476	0.9
225.07681	17.3
226.08023	0.8
235.09766	1.4
265.04880	0.4
266.05679	0.4
282.05447	0.9
297.07700	0.5
313.07019	0.4
314.08096	0.5
315.08661	1.0
322.08347	0.5
323.09219	0.5
325.07294	0.6
329.10333	2.6
339.08621	0.7
341.10358	1.0
342.07156	0.4
354.11276	0.5
356.12729	1.0
357.09747	1.1
357.13522	2.2
358.13818	0.5
359.11429	1.1
371.11288	0.9
372.12302	1.9
373.12976	0.6
381.13153	0.3
385.12860	0.6
386.13824	1.2
387.10852	2.5
387.14795	17.0
388.10666	0.6
388.14923	1.4
392.12219	1.3
392.62317	0.8
399.14307	0.4
402.13211	2.3
403.14120	3.1
404.13971	0.4
410.35715	0.4
416.14792	1.2
417.15607	29.3
418.16043	3.4
505.15384	0.6
521.18024	0.6
535.19055	3.4
536.19635	0.6
547.19763	1.6
550.18073	1.6
551.18933	0.5
565.20874	59.8
566.21173	10.6
583.22058	0.9
613.22900	5.1
613.32288	0.4
614.23114	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2306
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01269	3.3
60.87462	0.4
61.98719	7.3
67.01767	0.9
69.82272	0.5
69.99112	2.4
71.01277	1.6
72.01614	0.5
73.02855	0.6
83.01283	0.6
85.02859	0.9
87.00732	0.5
88.98730	0.4
89.02332	1.3
89.77544	0.4
93.03355	4.5
95.01286	1.2
95.04928	0.7
95.29126	0.5
96.95910	0.8
101.02353	1.5
105.03358	0.7
107.04956	1.3
108.02112	0.8
109.02859	4.4
113.02386	0.6
117.03384	0.9
119.03436	0.6
119.04914	0.6
121.02866	9.2
122.03658	15.5
123.00809	1.9
123.04517	2.2
124.01574	2.1
125.02371	1.4
131.04872	0.5
132.02133	1.0
133.02885	3.6
133.06645	0.5
134.03604	0.8
135.04437	5.0
136.01590	6.5
136.04843	0.4
137.02373	21.5
137.05878	0.5
138.03052	0.4
139.00261	0.7
139.03951	1.5
145.02937	2.2
146.03717	0.5
147.04451	1.8
148.01590	1.1
149.02383	31.4
149.05971	2.2
150.03169	100.0
151.00316	7.0
151.03955	9.9
152.01067	2.0
152.04764	2.8
153.01884	0.8
154.02635	0.8
159.04428	1.2
161.02362	6.9
161.06102	0.6
162.03094	1.4
163.03960	1.9
164.01131	0.9
164.04738	6.3
165.01888	41.4
165.05524	100.0
166.02669	23.4
166.05797	4.5
167.03381	4.3
172.05209	0.5
173.02414	0.6
174.03172	0.5
175.03969	4.1
176.04662	0.7
177.01894	1.7
177.05540	2.4
178.02618	1.2
179.03461	12.8
179.07077	1.4
180.04239	30.1
181.05025	25.5
182.05397	1.2
184.03728	1.4
187.04007	3.8
188.04715	0.6
189.05594	1.2
190.02701	1.4
190.06290	2.6
191.03453	1.5
191.07088	0.8
192.04204	0.7
193.05139	2.2
194.05818	1.9
195.06606	85.5
196.06934	5.0
202.06320	1.1
203.03432	1.0
203.07104	0.6
204.04208	0.5
205.05034	8.0
205.08727	0.7
206.05754	0.8
207.06630	1.3
210.05276	4.5
219.06506	0.8
220.07443	4.0
221.08203	1.5
225.07686	20.7
226.08083	1.5
235.09724	1.2
239.03621	0.6
265.05103	0.5
266.05783	0.6
267.06775	0.5
282.05334	0.8
285.07788	0.4
297.07684	0.7
311.09628	0.7
314.08139	0.8
315.08838	0.9
325.07474	0.6
327.08752	1.1
329.10507	2.8
339.08530	0.7
341.10165	0.8
354.10931	0.6
355.12143	0.8
356.12833	1.0
357.09714	1.2
357.13599	3.1
359.11475	1.1
371.11398	1.4
372.12216	2.2
373.12939	1.0
385.12738	0.6
386.13708	0.9
387.10815	2.6
387.14792	18.0
388.15472	2.3
392.12283	1.5
392.62292	1.0
402.13373	2.1
403.14221	2.5
416.14700	2.0
417.15625	31.8
418.15891	3.8
505.15106	0.9
517.15283	1.1
535.19598	4.6
547.20251	0.9
550.18481	1.1
565.20898	60.2
566.21283	11.9
577.19867	0.6
583.22009	0.7
613.22974	4.0
613.31946	0.5
614.23151	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.1785
Annotation	Unknow
Peak:m/z	Relative Intensity
55.19940	0.4
57.03331	1.7
59.01251	1.7
63.02273	0.6
65.00204	3.2
67.01772	1.2
68.99695	2.5
71.01270	1.1
73.02828	0.6
81.03336	1.2
83.01278	10.8
85.02833	1.4
87.00790	0.9
89.02342	0.8
100.48952	0.5
101.02366	1.1
107.01302	4.6
109.02848	6.3
111.00793	0.8
117.06470	0.4
121.02872	0.7
122.03659	1.2
123.04443	16.3
125.02378	7.4
135.04411	0.6
137.02405	1.0
149.02390	1.8
150.03171	8.7
151.00320	18.1
151.03955	46.8
152.00665	0.7
152.04277	2.0
153.01878	100.0
154.02216	3.7
161.02385	1.5
165.96915	0.5
169.01321	0.7
175.04045	0.5
183.04420	0.5
185.02449	0.9
193.05083	1.1
197.06075	0.6
225.05679	1.2
241.05284	0.6
269.04584	6.9
270.04901	0.7
287.05521	0.8
304.95184	0.5
306.15692	0.5
459.15204	44.9
460.15488	4.6
595.17004	0.6
613.18591	0.8
633.45782	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.1791
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	1.7
59.01255	4.5
67.93051	0.7
69.03366	1.2
71.01254	2.9
71.38990	0.9
71.39330	1.9
72.99191	1.1
73.02829	0.9
81.03339	7.0
81.60368	0.9
83.01278	5.8
85.02829	1.8
89.02301	1.1
93.03362	1.9
95.04926	3.6
97.02834	3.8
99.04439	2.0
101.02332	2.4
105.64416	0.9
107.01376	1.1
107.04919	1.2
109.02857	10.7
111.04393	2.5
113.02349	2.9
118.05873	0.8
121.02854	5.5
122.22031	0.8
123.04446	14.7
124.04745	1.3
125.02351	10.5
130.91083	0.8
133.02824	0.8
135.04427	15.2
136.04822	1.3
137.02388	5.6
137.06023	4.4
139.03938	6.6
147.04434	2.3
149.02303	1.0
149.05975	2.2
151.00279	1.0
151.03934	4.0
153.05481	2.0
161.02411	1.2
161.05981	1.7
163.03979	3.3
165.01900	2.4
165.05513	3.6
167.03445	29.5
177.05501	1.3
179.03458	9.8
179.06973	1.2
180.04015	1.4
181.05043	2.2
183.19197	0.9
187.03990	0.9
189.05467	1.2
189.20174	0.8
191.03471	2.2
193.05052	3.3
197.04501	6.6
205.05055	1.6
206.02144	1.1
207.02969	1.0
207.06627	2.1
209.04547	38.5
210.04849	2.3
219.02931	1.3
219.06725	1.0
221.04564	8.4
223.06062	2.1
233.04539	3.5
235.06177	2.1
239.05629	18.6
240.06017	1.3
245.08324	1.0
251.05620	19.6
263.05652	5.8
265.07095	0.9
269.04083	1.0
269.06763	4.0
281.06775	7.7
293.06656	2.1
305.06665	1.1
311.07922	1.2
331.08310	7.0
343.08325	1.5
353.35104	1.1
355.08340	1.2
361.09427	4.4
373.09372	100.0
374.09637	11.0
385.09244	3.1
403.10406	70.0
404.10800	6.2
415.10382	3.2
433.11469	20.3
434.11740	2.0
445.11447	2.4
455.10028	0.9
457.11166	1.4
475.12598	13.3
476.13080	1.2
487.12674	1.2
493.13660	30.8
494.13931	4.0
505.13470	7.6
523.14630	4.5
595.16925	1.5
613.17645	12.5
613.30243	3.6
614.18036	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	613.1791
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	1.2
59.01266	3.3
61.23893	0.8
62.49121	0.8
67.01772	0.9
68.99701	2.5
69.03341	3.1
69.77482	2.9
69.77895	1.7
71.01266	5.8
73.02829	2.6
74.42603	0.8
75.00772	4.5
81.03345	4.3
83.01269	9.0
85.02836	7.4
87.00758	2.2
89.02341	1.2
90.11868	0.7
93.03365	6.7
95.01291	4.1
95.04915	3.1
97.02863	8.0
98.20457	1.2
99.00777	2.0
99.04417	1.0
101.02334	3.3
105.03334	0.7
107.04947	3.5
108.02067	2.4
109.02859	10.5
111.00790	5.8
111.04448	3.4
113.02343	2.5
119.04928	8.3
121.02865	6.0
121.06524	1.4
122.03661	0.9
123.00788	1.8
123.04438	9.6
124.01575	1.4
125.02369	13.6
127.03940	1.5
129.01852	1.5
131.04984	0.8
133.06467	1.0
135.04446	9.0
137.02364	12.1
137.05957	2.5
139.00279	2.2
139.03941	12.4
140.01073	1.4
140.04276	0.9
141.01888	5.4
145.02887	1.8
147.04446	2.9
149.02374	2.4
149.06007	2.1
150.03191	1.7
151.00310	1.3
151.02827	1.3
151.03955	14.2
152.01036	1.0
152.57503	0.8
153.01875	20.2
153.05489	1.2
154.02682	3.7
155.03429	1.0
159.04440	1.1
161.02379	3.5
161.06020	1.2
163.00270	2.1
163.03967	4.7
164.01103	0.9
164.04753	0.9
165.01886	7.0
165.05544	4.5
166.02747	1.5
167.03459	21.0
168.03900	1.1
169.05174	0.9
171.04413	0.8
173.02518	1.1
173.06128	1.0
175.03922	2.1
177.01878	3.2
177.05524	2.0
178.02554	1.7
179.03474	31.0
180.03903	1.5
181.01414	15.1
181.05022	3.7
182.02199	9.6
183.02997	6.3
187.03947	1.2
189.01909	2.3
189.05542	8.1
190.05937	0.8
191.03464	10.3
192.04242	0.9
193.01331	1.5
193.05040	7.9
195.02953	7.4
196.03711	5.5
197.04568	4.0
201.05544	0.8
203.03461	2.0
205.01471	1.8
205.05083	1.7
206.02269	1.2
207.02951	7.0
207.05072	8.9
209.02711	1.2
209.04539	14.6
210.04819	0.9
211.02484	1.6
212.03203	1.1
213.04005	1.2
217.05075	1.1
218.02289	1.4
218.69818	0.7
219.03059	5.1
221.04550	14.5
222.04961	1.0
223.02477	1.1
224.03314	1.0
225.04045	39.8
226.04373	1.6
231.03065	1.4
231.06677	0.8
233.04504	2.6
235.02483	2.0
235.06035	0.9
237.04051	2.9
239.05605	6.5
245.04533	1.0
245.08380	0.9
249.04036	2.9
251.05630	4.5
255.05110	16.4
257.08307	1.0
259.06061	2.2
263.05588	5.4
267.05002	0.9
269.06641	1.0
271.06076	0.9
273.07648	3.1
281.06674	3.8
285.07935	15.0
286.08279	1.2
288.06360	1.1
289.07178	7.1
293.06894	4.3
297.07782	5.9
298.07965	1.0
299.08557	1.4
301.07129	2.5
302.07889	2.2
303.07498	2.8
313.07205	1.5
315.08905	4.4
323.07748	2.0
325.07245	3.0
327.08914	22.3
328.09167	1.1
329.10266	1.1
330.07410	6.9
331.08188	3.2
339.06854	0.9
342.07449	1.5
343.08426	2.1
345.08261	13.6
346.09055	1.0
355.08246	2.0
357.09613	2.8
361.09225	1.0
373.09366	27.1
374.09686	2.7
385.09436	1.5
387.10861	5.0
403.10324	16.0
404.10699	1.8
405.12018	15.1
406.12393	1.1
409.11526	2.3
415.10501	1.6
423.12897	1.2
433.11447	6.2
449.14688	1.8
457.11264	0.9
463.12427	1.5
465.12564	3.7
475.12500	9.5
476.12939	1.5
492.77945	0.7
493.13632	57.4
494.13818	8.4
505.13614	1.5
506.14124	0.9
523.14423	2.6
569.19403	0.8
595.16656	3.1
613.17822	100.0
614.18134	19.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.3299
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05764	0.3
55.01767	1.1
57.03333	1.1
59.00993	0.5
59.01268	7.1
60.99176	0.3
61.98722	3.2
66.00835	0.3
68.99715	0.4
69.03340	0.6
71.01271	11.7
72.99187	1.1
73.02837	4.4
74.00342	0.3
75.00758	0.3
79.63647	0.3
83.01265	2.2
85.02843	5.7
87.00771	1.7
87.04346	0.4
88.98697	2.4
89.02338	2.8
95.01294	1.3
96.95914	0.5
97.02855	0.5
98.20557	1.0
99.00782	1.1
99.08078	0.7
101.02348	14.9
107.01290	0.4
110.57710	0.3
111.00784	0.5
112.01562	0.3
113.02355	4.0
113.77299	0.3
116.92838	0.3
119.03436	0.4
121.02782	0.3
124.01559	0.5
125.02365	1.6
129.09152	0.5
131.03430	0.3
133.02875	0.9
135.04465	0.9
141.12814	0.6
143.03419	0.4
149.05988	0.6
150.03215	0.3
151.00320	1.1
161.02357	3.3
161.04533	0.5
179.03496	0.6
229.97008	0.3
241.21646	0.4
243.03006	0.5
255.02953	1.0
269.21286	2.4
271.02515	2.2
272.02924	0.5
285.04050	0.4
287.22342	20.1
288.22717	1.5
299.22375	0.4
300.02795	3.2
301.03656	2.1
301.23926	0.4
302.03448	0.6
329.23389	0.7
352.66937	0.3
392.12161	1.7
431.26550	13.9
432.26810	1.4
449.27649	100.0
450.27969	11.4
463.29132	1.0
473.27667	8.2
474.27921	0.6
485.27396	2.0
491.28531	1.5
533.30157	0.5
549.23816	1.8
611.14020	3.8
611.33112	2.7
612.33167	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.3298
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01788	1.1
57.03354	1.2
58.00486	0.4
59.01265	7.5
61.98723	0.6
69.03339	0.4
69.42036	2.5
71.01270	13.0
72.99214	0.9
73.02833	4.3
75.00770	0.4
83.01275	2.2
85.02847	5.2
87.00803	1.3
88.98736	0.9
89.02340	2.2
95.01324	1.0
97.02883	0.7
99.00810	1.2
99.08064	0.6
99.92474	0.4
101.02348	15.6
106.94436	0.3
107.01322	0.7
111.00787	0.5
112.01563	0.5
113.02357	3.6
116.92776	5.3
119.03449	0.7
124.01613	0.6
125.02408	1.4
129.09175	0.6
131.03400	0.3
133.02899	0.8
135.04425	1.7
143.03464	0.4
151.00311	2.1
159.02948	0.4
161.02344	1.8
161.04529	0.3
169.67386	0.3
179.03539	0.7
211.07631	0.3
241.21794	0.4
249.88940	0.4
254.02643	0.3
255.02966	0.5
256.03427	0.6
257.03531	0.8
269.21283	2.4
271.02512	1.7
272.02927	1.2
273.03195	1.5
287.22333	21.1
288.22662	1.8
296.19025	0.3
300.02835	2.2
301.03302	3.1
301.23941	0.6
302.03491	2.7
303.04169	0.8
311.22427	0.3
323.07959	0.5
329.23465	0.8
431.26590	14.3
432.26761	1.6
449.27640	100.0
450.27991	11.1
463.29095	0.9
464.09366	0.6
465.09555	1.9
473.20920	0.4
473.27701	7.3
474.27878	0.9
485.27570	1.7
491.28659	1.9
503.28452	0.5
611.13690	5.0
611.32947	11.0
612.14160	1.6
612.33429	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	611.2502
Annotation	Unknow
Peak:m/z	Relative Intensity
57.64148	0.4
61.98721	0.5
65.03833	0.5
71.59264	0.5
71.59654	0.4
76.25568	0.4
78.95793	5.3
93.03358	55.2
94.03680	1.5
96.96867	0.8
107.04958	0.8
114.50631	0.4
117.03388	1.3
119.04946	1.0
133.02812	0.4
135.04431	1.3
145.02887	7.5
145.03992	0.2
147.04457	4.6
152.99527	7.6
161.02370	2.3
162.03094	0.4
173.02390	18.9
174.02896	1.1
175.03949	0.6
191.03529	2.3
195.13828	0.5
201.01898	1.2
219.02924	0.6
223.00153	0.6
239.07111	1.9
241.01152	1.5
265.05142	0.5
267.06503	1.7
277.21689	0.9
283.06232	0.6
294.21603	0.4
295.22852	2.0
299.16513	0.9
315.04910	1.3
315.16064	7.4
316.16461	0.7
327.16086	55.4
328.16501	6.7
355.15585	4.6
356.16315	2.2
360.15732	1.0
419.18600	1.4
420.19312	4.2
421.20261	15.8
422.20648	2.1
429.11771	0.9
431.18848	0.6
449.20084	0.9
538.44183	0.4
576.58368	0.4
583.25574	8.5
584.25854	1.6
611.25043	100.0
612.25354	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	611.275
Annotation	Unknow
Peak:m/z	Relative Intensity
55.83686	0.2
57.59736	0.2
59.01248	0.3
78.95795	10.0
79.95630	2.9
95.97502	0.2
96.95918	100.0
96.96833	15.3
97.95837	0.3
97.99892	0.2
98.02399	0.5
98.19785	0.7
149.04524	0.5
152.99538	1.1
214.34477	0.2
277.21869	0.6
431.22040	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2512
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69883	0.2
52.27747	0.2
71.01278	0.2
71.57315	0.2
77.03845	0.3
89.03858	0.3
95.04927	0.9
105.03358	4.1
106.04169	0.2
107.04934	3.5
121.02850	0.6
123.04438	0.5
132.02106	0.4
133.02884	33.3
134.03268	0.9
135.04451	13.1
136.04753	0.6
145.02946	0.2
149.02367	0.7
157.84155	0.2
160.01604	0.6
161.01010	0.2
161.02388	0.9
161.04576	0.2
177.01886	7.8
178.02353	0.6
179.03593	0.2
211.07584	0.3
286.15643	0.3
297.09872	0.6
303.68323	0.2
314.15298	100.0
315.15735	12.8
316.16699	0.2
611.24921	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.236
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56391	1.2
57.03339	2.5
58.00478	4.7
59.01265	100.0
60.01583	2.1
61.98713	3.4
66.67745	1.3
70.01563	1.3
70.72445	4.5
71.01270	67.4
72.99194	5.7
73.02837	4.3
74.14555	1.2
74.96584	1.3
77.90635	1.1
78.08852	1.5
83.01264	3.7
85.02839	12.7
87.00777	5.5
88.98702	2.4
89.02338	88.0
90.02718	1.8
93.03380	1.6
95.01305	5.0
96.95882	1.7
99.00845	2.2
101.02346	35.0
113.02360	28.9
119.03426	31.8
119.04945	2.0
120.03745	2.2
121.02902	2.7
122.03664	1.7
125.02373	4.2
131.03452	3.2
133.02898	7.3
135.04468	8.2
137.02383	2.3
143.03433	8.6
145.02884	5.0
149.04507	4.3
149.05908	1.7
151.03981	4.0
161.02396	16.3
161.04483	8.4
162.02901	1.5
163.04025	2.4
165.01884	1.8
165.89691	1.6
179.03444	4.2
179.05585	36.9
180.02591	1.4
180.04218	2.7
180.05869	1.5
195.06544	2.1
225.07674	2.7
236.80280	1.2
301.03656	1.8
317.19794	1.9
392.12329	4.1
392.62473	2.1
416.15524	1.6
449.27460	5.6
449.33002	2.9
611.15594	4.2
611.37122	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	611.2514
Annotation	Unknow
Peak:m/z	Relative Intensity
57.37197	0.8
59.01263	1.2
64.54612	0.7
65.03828	0.9
69.42596	6.1
78.95798	16.7
93.03360	72.6
94.03664	1.6
96.95896	1.1
96.96819	3.0
98.20532	1.3
113.09563	0.9
117.03330	2.3
119.04908	0.9
121.02852	1.8
133.02829	1.0
135.04344	1.2
145.02887	32.4
146.03676	15.5
147.04465	5.7
151.11189	1.0
152.98351	1.0
152.99524	19.2
153.12740	2.6
157.14970	0.8
160.01546	2.4
161.02321	4.7
163.03873	2.7
167.13409	0.7
173.00978	0.9
173.02402	14.4
174.03194	4.7
175.03873	3.4
179.03409	0.8
190.02603	1.2
191.03445	1.7
195.13913	4.3
201.01933	6.4
223.00012	2.0
224.79491	0.8
225.05457	2.2
228.11363	0.8
239.06895	1.4
241.01176	6.1
251.07016	2.0
253.04976	2.0
254.05882	1.0
267.06680	6.0
277.21765	3.6
293.21130	1.1
294.05014	1.2
295.22891	13.3
315.04785	2.2
315.16037	9.5
325.14377	1.1
326.15359	3.6
327.16095	65.0
328.16479	6.9
355.15488	6.2
356.16202	1.5
420.18741	1.3
421.20264	15.4
422.20038	2.0
448.18622	1.6
449.19583	6.1
583.25653	31.0
584.26111	4.4
611.25061	100.0
612.25433	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	611.1632
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03334	1.3
59.01253	1.8
62.16362	0.5
63.02285	2.9
65.00210	32.6
71.01261	1.1
71.43355	1.2
73.02821	1.0
81.03340	0.7
83.01276	12.2
86.62000	0.6
87.00797	0.8
95.01332	0.9
101.02378	1.0
105.03376	1.8
107.01298	35.7
109.02869	2.4
121.02876	1.1
122.03634	1.4
123.04439	16.1
124.01563	2.0
125.02359	11.2
133.02875	7.9
135.04439	6.0
145.02899	0.6
147.04456	1.1
149.02383	2.2
150.03171	6.5
151.00311	100.0
151.03937	24.0
152.01108	7.1
155.04955	1.1
163.05937	0.7
169.01370	2.1
169.06558	0.7
171.04443	1.9
173.06012	0.9
174.03165	1.0
175.03961	3.7
176.01134	0.8
177.01962	1.6
178.99803	6.1
185.06094	2.4
187.04050	1.1
197.06122	0.8
198.03261	1.1
199.03961	5.5
201.01878	1.1
201.05638	0.8
212.04832	0.6
213.05664	1.5
215.03513	0.7
217.05051	1.7
229.05154	0.9
239.03552	0.7
240.04347	0.7
241.05066	3.6
243.03069	1.2
248.61661	0.6
257.04568	3.5
268.03851	0.7
285.04111	77.9
286.04471	6.5
302.04626	0.8
303.05133	3.5
444.16824	0.6
459.15341	4.4
485.12854	3.6
486.13672	0.7
593.15564	0.8
611.16321	29.4
612.16510	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	611.163
Annotation	Unknow
Peak:m/z	Relative Intensity
55.83333	0.5
57.03326	1.0
59.01258	1.2
63.02289	1.6
65.00211	20.0
66.00546	0.6
69.69934	2.3
69.70352	0.9
71.01274	1.1
73.02851	0.7
83.01283	8.8
85.02869	0.6
89.02345	0.7
96.92818	0.5
107.01298	22.6
109.02848	1.2
115.05428	0.5
121.02882	1.0
122.03662	0.9
123.04433	10.6
124.01609	1.2
125.02371	8.4
133.02872	5.1
135.04446	5.7
149.02403	1.6
150.03162	4.9
151.00313	100.0
151.03932	20.3
152.00987	5.1
152.04282	1.2
161.02371	0.8
169.01392	3.1
171.04478	1.0
173.06100	0.5
175.03941	2.8
176.01123	1.5
177.01913	1.5
178.99835	6.0
185.06081	0.9
187.04050	1.1
189.05615	0.7
193.05028	0.6
198.03130	0.6
199.03938	4.3
201.01953	0.8
211.03987	0.9
213.05588	2.0
215.03453	1.1
217.05084	1.6
229.05183	1.1
241.05118	3.7
243.03117	0.6
257.04636	2.7
259.06210	0.9
269.07999	0.7
284.03271	0.7
285.04114	90.9
286.04446	7.5
302.04544	0.9
303.05283	3.8
459.15170	5.7
460.15613	0.8
485.13367	4.3
486.13626	0.7
593.15015	0.6
611.16278	36.6
612.16736	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	611.1633
Annotation	Huangqioside E
Peak:m/z	Relative Intensity
53.93002	1.0
57.03317	1.3
59.01271	1.3
65.00191	2.6
69.65018	3.4
69.65449	4.9
71.01266	1.3
79.01779	1.5
81.03333	4.3
81.97891	1.2
83.01270	5.8
85.02864	1.2
87.15016	1.1
93.03347	3.8
95.01259	2.1
95.04868	1.5
97.02839	4.9
98.20644	1.2
105.03336	2.1
107.01308	14.0
107.04910	3.3
109.02883	9.3
111.00813	1.4
111.04385	1.7
119.04919	1.7
121.02847	4.6
123.00813	2.7
123.04452	6.1
125.02378	30.0
126.02725	1.6
133.02852	2.6
134.03700	1.2
135.04451	100.0
136.04767	4.0
137.02379	7.6
139.03957	5.6
145.02896	1.4
147.04430	2.2
149.02405	7.4
150.52356	1.1
151.00313	13.5
151.03917	2.9
153.01855	3.6
153.05429	2.0
155.03444	3.0
159.04459	3.9
161.02379	6.8
163.00293	7.1
163.03920	4.0
165.01891	8.3
167.03465	11.3
173.02458	1.3
175.03954	4.4
176.01067	1.4
177.01875	8.2
177.05501	2.1
178.02480	1.4
178.99773	1.3
179.03462	4.6
181.04994	1.4
189.01936	1.6
191.03465	5.4
192.00656	1.7
193.01410	23.2
193.05130	1.5
197.04486	4.3
197.81706	1.1
199.03961	2.1
203.03488	2.1
205.01427	7.9
206.02014	1.5
207.02965	5.9
209.04526	11.5
217.01456	1.5
217.04996	2.5
219.02946	2.6
221.04565	2.5
223.02426	9.8
233.00952	1.9
235.02516	44.0
236.02838	2.4
239.05627	6.6
241.05017	2.7
247.02579	2.6
249.04034	3.3
251.05524	2.8
261.04114	2.6
265.03589	26.3
266.03867	2.1
269.06793	2.7
275.05649	2.4
277.03625	2.5
285.04114	18.8
286.04346	1.2
295.04666	7.9
303.05161	16.6
329.06824	3.7
341.06516	2.0
359.07886	3.0
371.07800	96.1
372.08258	10.7
383.07919	1.8
401.08847	79.1
402.09259	9.4
413.08759	5.9
431.09897	20.9
443.09863	2.4
455.09744	3.4
460.62054	1.3
461.10742	1.7
473.11151	9.5
485.11057	2.3
491.12061	55.2
492.12485	7.0
503.11682	7.7
521.13318	12.3
522.13458	1.5
533.13062	1.2
593.15350	5.0
611.16284	67.1
612.16693	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	611.1414
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03342	7.3
59.01268	7.5
59.29254	0.5
61.98726	1.6
63.02296	1.8
65.00215	5.6
69.03355	0.7
71.01273	6.3
71.57710	0.9
72.99216	1.0
73.02857	1.7
75.00776	1.6
81.03363	2.2
83.01279	7.2
85.02862	1.6
87.00774	1.0
88.98726	2.2
89.02336	3.9
93.03361	2.6
95.01312	0.7
97.02864	0.8
99.00807	1.4
100.86382	0.5
101.01804	0.5
101.02360	3.0
103.17405	0.5
107.01303	7.5
108.01596	1.1
109.01737	0.7
109.02856	2.5
111.00780	0.8
113.02377	2.0
117.03382	5.4
118.03735	1.5
119.03419	0.9
119.04913	2.6
120.05279	0.8
121.02879	3.0
123.00814	0.6
123.04451	1.7
124.01588	1.8
125.02373	63.4
125.40858	0.5
125.41837	0.5
126.02723	1.5
131.03470	0.8
132.02037	0.6
133.01857	0.7
133.02884	12.9
134.03770	1.1
135.00885	0.6
135.04460	12.4
136.04810	1.0
137.02409	1.2
141.27580	0.5
143.03464	0.7
145.02896	8.0
146.03227	5.1
147.03481	2.3
149.02422	2.5
149.04518	0.6
149.06035	1.8
149.99529	0.9
151.00316	25.1
151.03917	0.8
152.01082	6.6
153.00778	1.2
153.01895	5.9
156.05681	0.5
157.06502	1.4
159.04500	1.9
161.02397	33.3
162.02748	2.4
163.00349	3.6
163.02776	0.7
163.03963	1.3
164.01027	0.7
164.04279	0.7
165.01875	0.9
167.03481	0.8
169.01390	1.8
169.06548	1.2
169.12317	0.6
171.04539	0.9
172.05319	2.6
173.06064	5.6
175.03998	2.7
176.01093	5.5
177.01874	0.8
177.05540	6.1
177.99074	0.6
178.99857	13.1
179.03455	11.4
180.00179	1.8
180.04018	0.4
181.00233	1.1
181.06544	1.3
183.04440	1.0
185.06071	0.7
191.03510	0.7
193.01442	0.7
197.06061	1.7
199.03937	1.4
199.07629	1.6
200.04695	0.9
201.05550	5.2
203.03589	0.7
205.01216	0.5
207.05096	0.6
209.08279	1.2
213.05598	1.7
214.06232	0.6
215.07164	6.5
219.06538	0.6
221.04555	3.3
224.04713	0.7
225.05571	4.5
226.06064	0.7
229.05145	0.5
240.04219	0.8
241.02821	0.8
241.05046	4.8
243.06685	5.9
251.05817	0.8
255.19786	0.5
259.06174	60.7
260.06537	3.7
268.03909	0.8
269.04620	84.5
270.04984	6.8
273.04022	0.5
281.06580	1.1
283.06299	0.7
285.04129	1.8
287.05698	39.4
288.05963	2.6
300.02762	0.8
300.20544	0.6
301.03598	7.5
301.20361	0.5
302.03857	8.1
303.04214	6.4
303.21802	1.1
311.05719	0.8
323.07791	15.0
324.07968	1.5
431.09692	1.5
445.16489	0.6
446.16656	0.7
449.11087	2.9
462.16953	0.7
463.17233	1.1
464.17679	1.4
465.17331	0.6
465.27234	1.2
504.08994	1.5
593.13153	9.1
594.13757	1.2
610.21722	4.9
611.14185	100.0
611.29999	5.0
612.14551	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	611.1271
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00505	1.1
58.34619	1.0
59.01259	5.0
61.98708	3.4
63.02268	3.4
64.99907	1.1
65.00195	7.2
67.01759	1.6
68.99689	1.9
69.01799	1.0
69.75830	7.2
71.01254	3.5
72.99205	2.0
73.00291	1.0
73.02847	1.3
74.81894	1.1
77.99278	1.1
83.01269	5.4
85.02828	1.5
87.00743	1.4
88.98688	5.3
89.02354	1.9
95.01286	5.3
99.00776	2.0
101.02345	1.6
106.00482	1.7
107.01292	9.7
109.02863	6.3
109.99998	2.3
111.00784	8.5
113.11839	1.1
119.03377	1.4
119.04877	1.1
121.02878	2.4
123.00815	8.0
123.04409	1.3
124.01577	3.2
124.98688	2.0
125.02377	3.0
133.02844	4.2
135.00758	1.9
135.04427	3.5
136.98755	2.0
137.02370	3.0
137.99567	1.3
139.00307	10.8
139.03938	1.3
140.01143	1.4
140.67261	1.1
143.04941	2.5
145.02835	3.4
147.04424	1.9
148.01569	4.0
148.98711	2.0
149.02364	4.8
149.99509	4.7
151.00311	45.9
152.01102	6.6
153.01820	3.4
154.99832	2.2
159.04524	5.2
161.02386	9.0
163.00285	4.6
163.03941	1.7
164.01074	2.2
164.98212	3.9
165.01833	1.8
165.99010	2.9
166.99789	3.2
168.00604	8.3
169.01329	4.7
169.02669	1.3
171.04433	4.0
173.02374	2.1
174.03204	1.6
175.03926	5.4
176.01128	2.3
177.01875	4.1
177.99011	7.4
178.99826	52.6
179.03304	2.2
180.00386	3.8
181.98578	2.1
183.04382	1.6
185.02397	1.4
187.00316	1.4
187.03944	9.3
189.01918	7.4
190.02557	3.1
191.03360	2.1
192.00620	3.4
193.01341	4.2
194.99268	3.1
197.02379	1.5
199.04016	5.8
201.01878	4.5
202.02631	1.9
203.03436	13.0
204.04095	2.1
204.97748	2.3
205.01321	2.9
205.05124	1.2
205.98541	1.3
206.02222	2.4
206.99394	1.7
209.00874	3.1
213.01920	3.1
214.02634	3.0
215.03441	8.3
217.01385	4.3
218.02132	2.1
219.02960	2.8
222.98833	4.3
227.03453	3.6
229.01390	4.5
230.02167	3.1
231.03015	10.3
232.00174	1.2
232.03778	12.9
233.04300	1.7
234.01828	1.0
241.01573	2.2
241.99799	1.0
242.02248	3.6
243.02991	17.7
244.03568	1.6
245.00905	4.0
245.04704	1.2
246.01611	2.2
247.02559	2.3
248.03113	1.1
255.02902	1.9
257.01053	2.2
258.01633	4.2
259.02484	14.0
260.03210	5.1
261.00641	1.5
269.00955	2.5
270.01682	2.5
271.02530	32.6
272.03058	2.8
276.13043	1.2
283.04819	1.2
286.01236	7.2
287.02039	44.1
288.02765	12.9
289.03574	2.1
297.00436	7.8
298.00903	1.8
299.02051	9.6
300.02707	6.3
301.03488	10.4
302.03613	1.6
303.01553	1.7
304.02231	1.5
314.00742	4.9
315.01535	100.0
316.01910	12.4
317.02988	2.2
332.01764	17.5
333.02271	3.5
399.14456	1.2
449.07257	1.7
459.11462	2.2
471.11438	3.2
475.10919	2.2
511.14679	4.4
539.14331	6.1
565.12244	2.2
567.13623	7.1
583.12775	2.7
593.11627	17.3
594.11920	2.2
611.12585	41.0
612.12756	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	609.381
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40520	0.4
53.31877	0.3
55.29174	0.3
59.01262	2.1
64.33612	0.3
67.91450	0.4
69.24466	1.9
69.24889	2.2
88.96870	0.3
96.10625	0.3
117.03374	6.9
119.04944	2.2
121.02837	2.1
123.04405	0.6
123.33746	0.4
145.02888	42.3
146.03214	1.2
162.03185	0.8
163.03938	1.3
209.80067	0.4
213.99672	0.4
247.20638	0.8
271.02554	0.5
276.31598	0.4
291.19714	12.4
292.19995	1.0
299.16580	100.0
300.02765	0.9
300.16907	10.0
301.03613	0.4
309.20779	20.4
310.21051	1.6
315.16055	0.5
449.73898	0.4
457.26126	0.4
573.34930	0.5
609.14343	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.3446
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01264	100.0
60.01599	1.0
69.25500	0.4
69.25906	3.5
78.75712	0.3
89.40968	0.3
89.58668	0.4
93.03387	0.9
119.04927	0.5
121.02881	0.6
133.02853	1.8
137.09657	0.5
139.11261	0.6
145.02945	0.4
153.09309	0.4
155.10805	0.4
158.03729	0.8
160.05212	0.8
161.06110	0.5
171.04471	0.9
177.01880	0.8
185.06046	0.4
215.14505	0.7
219.47638	0.3
246.29504	0.4
255.14000	1.3
255.23370	0.7
257.15546	4.0
258.15854	0.4
271.02457	0.6
283.13510	0.6
299.16797	0.4
300.02847	1.4
301.03516	0.4
301.14709	0.8
317.21570	0.4
326.90759	0.3
356.97263	0.3
376.05426	0.3
381.20752	3.0
393.24649	1.7
395.25983	0.9
411.25491	8.3
412.25821	0.8
455.24561	1.1
463.09894	0.4
591.37000	1.2
609.15106	0.7
609.38055	23.6
610.38739	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2778
Annotation	Atractyloside A 14-O-beta-D-fructofuranoside
Peak:m/z	Relative Intensity
55.01775	3.2
55.19214	0.2
57.03338	2.6
58.00483	1.1
59.01265	30.4
60.01601	0.4
60.99186	0.4
61.26179	0.2
65.65023	0.2
67.01781	0.6
68.99722	0.3
69.03338	0.7
71.01269	50.9
72.01608	0.8
72.99197	1.8
73.02834	20.4
74.03196	0.3
75.00757	0.9
81.03336	0.3
83.01277	8.0
84.01597	0.2
84.02055	0.3
85.02841	22.8
85.99976	0.5
86.03170	0.4
87.00768	3.1
88.98701	2.3
89.02335	15.2
90.02676	0.3
95.01285	6.6
97.02844	2.3
98.19752	0.4
99.00780	10.4
100.01118	0.2
101.02345	34.8
102.02683	0.6
107.01331	0.4
111.00800	0.8
112.01565	0.9
113.02356	26.2
114.02699	0.5
119.03422	3.4
122.09302	0.2
125.02361	2.5
129.01843	1.0
131.03423	1.6
133.02910	0.3
143.03442	2.8
149.04472	0.4
150.04642	0.2
151.00305	0.5
158.40395	0.2
159.02933	3.8
161.02382	0.5
161.04500	17.1
162.04836	0.5
166.10547	0.2
167.34816	0.2
178.99768	0.2
179.05537	0.6
187.70660	0.2
191.05588	0.6
205.03494	0.3
226.28726	0.2
249.15067	1.0
255.03094	0.6
271.02588	0.9
285.03986	0.5
300.02808	2.5
301.03510	1.7
315.18198	10.2
316.18542	0.8
335.09918	0.3
352.63092	0.2
447.22440	71.5
448.22778	7.6
463.09094	0.4
469.43277	0.2
477.23495	13.0
478.23999	1.3
609.27747	100.0
610.28088	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	609.2779
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09113	0.4
55.01772	4.8
56.46882	0.4
57.03129	0.4
57.03341	4.8
58.00483	3.8
59.01265	81.1
60.01609	0.9
61.98709	1.0
68.99722	0.5
69.03352	0.9
71.01270	100.0
71.59395	0.6
72.01606	1.6
72.99208	5.9
73.02835	23.9
74.03162	0.5
75.00775	1.8
81.03338	0.7
83.01278	14.6
84.01588	0.5
84.02087	0.8
85.02842	42.6
86.03178	0.6
87.00768	6.3
89.02338	50.1
90.02713	0.6
95.01282	9.1
97.02850	4.1
99.00269	0.3
99.00778	16.5
101.02348	61.2
102.02714	1.6
111.00778	3.2
112.01577	1.4
113.02357	51.2
114.02708	1.2
119.02573	0.9
119.03424	14.5
120.03764	0.5
124.83259	0.4
125.02364	6.9
129.01857	2.4
129.82747	0.4
131.03413	6.8
133.02879	1.8
135.04486	2.1
141.01817	0.7
143.03450	7.9
144.03789	0.4
145.02869	1.0
149.04512	4.5
151.00310	1.6
154.76031	0.4
159.02940	5.6
161.02489	5.1
161.04497	26.1
162.02652	1.0
162.04871	0.7
177.01939	0.7
178.99779	0.5
179.03754	0.8
179.05559	8.5
191.05547	5.3
205.03520	0.9
227.03511	0.6
233.06697	3.8
243.03011	0.9
249.15022	1.2
255.02956	2.6
271.02512	5.2
275.07651	0.5
287.22409	0.9
300.02789	8.3
301.03491	4.2
315.18185	14.1
316.18439	1.3
392.12128	1.3
392.62405	0.9
393.12454	0.6
431.26559	0.5
447.22430	98.3
448.22821	11.6
449.27512	1.2
477.23508	47.1
478.23859	5.0
491.28473	0.9
551.10449	0.5
608.76086	5.4
609.15137	5.8
609.27716	98.4
610.15369	1.3
610.28088	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	609.2694
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07238	0.5
57.03323	0.5
59.01260	1.6
69.03374	0.4
70.39001	1.0
70.39408	0.8
71.04908	2.0
76.71519	0.4
78.95796	59.2
85.02852	0.4
96.96868	12.6
97.06433	0.4
150.97945	0.4
152.99532	84.0
153.99854	1.0
157.48918	0.4
171.00597	2.3
177.16533	0.4
209.15401	0.6
223.00148	9.3
223.17000	2.1
231.21080	0.6
235.17070	10.2
236.17383	0.6
241.01230	24.4
242.01582	1.0
244.88326	0.4
255.02985	0.9
259.02368	1.4
271.02524	1.4
275.20221	8.4
276.20508	0.9
291.19574	0.5
293.21320	14.6
294.21576	1.5
300.02774	1.8
301.03503	0.7
315.04956	12.2
316.05313	0.9
333.05917	1.0
368.23846	0.4
451.92059	0.5
609.26929	100.0
610.17114	0.6
610.27179	13.3
614.72607	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.269
Annotation	Scortechinone P
Peak:m/z	Relative Intensity
53.51572	0.5
57.03336	0.7
59.01265	1.2
64.17103	0.5
69.75877	2.8
69.76292	1.1
71.01270	0.6
78.95794	54.4
79.95646	1.0
80.34777	0.5
80.96408	2.5
82.95988	0.5
88.72664	0.5
93.03356	1.0
93.35587	0.5
96.95914	1.5
96.96862	11.6
98.19837	0.9
100.58154	0.7
113.09612	0.8
121.10164	1.6
126.34006	0.6
137.05261	0.6
150.97997	1.4
151.00336	1.5
152.99527	77.1
153.99840	1.4
161.02458	1.3
171.00609	1.7
171.10231	5.0
183.13887	6.6
183.47403	0.6
195.13885	1.9
211.13449	1.4
223.00093	7.4
223.13423	1.2
225.00763	1.4
241.01219	21.6
243.03294	1.2
248.13390	0.6
254.02409	0.7
255.03094	2.4
259.02170	0.9
271.02563	6.7
275.20261	4.8
293.21310	13.9
294.21640	1.2
300.02817	9.8
301.03503	4.3
315.04959	11.9
333.06134	0.8
375.99637	0.7
427.81998	0.7
523.18719	1.3
545.86871	0.6
602.32172	0.7
609.15131	9.1
609.26868	100.0
610.15771	1.3
610.27301	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	609.2048
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	2.7
58.00465	2.0
59.01266	29.2
67.85102	0.7
69.65544	4.9
71.01268	36.9
72.99200	1.7
73.02827	2.2
83.01259	2.1
85.02345	1.4
85.02843	20.7
87.00776	1.6
89.02335	23.8
90.02614	0.7
95.01281	7.1
96.73590	0.7
97.02857	1.0
98.20612	1.5
98.86995	0.8
99.00761	1.1
101.02348	13.1
113.02356	44.1
114.02657	0.8
119.03399	7.1
123.04452	14.9
123.24502	0.7
124.04774	0.8
125.02330	1.7
130.56311	0.7
131.03406	4.4
135.04446	36.2
136.04800	1.6
136.50215	0.7
143.03386	1.7
149.04498	4.0
153.05516	15.3
161.04472	3.4
179.05592	1.5
191.05611	4.3
206.05751	0.8
209.08218	1.0
233.06642	3.2
245.00070	0.8
249.07744	1.6
249.26117	0.7
297.09821	2.4
315.10910	12.1
316.11118	0.7
364.59460	0.8
392.22934	0.8
423.41812	0.8
446.30957	0.8
447.15201	6.0
477.16217	38.3
478.16739	5.8
575.97827	0.8
609.20477	100.0
610.20929	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	609.2568
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	0.5
59.01269	3.0
61.98717	4.2
65.61102	0.3
67.27217	0.3
69.03357	1.1
71.01260	2.2
71.59521	0.3
72.99189	0.9
73.02843	1.0
78.95810	0.6
80.96419	2.0
83.01297	0.5
85.02845	1.8
87.00787	0.8
89.02354	0.6
91.06863	0.4
93.03335	0.4
94.97964	0.3
95.01321	0.5
99.00786	0.6
101.02354	1.9
107.01270	0.4
108.02071	0.5
109.80704	0.3
113.02373	2.3
113.04143	0.3
121.02917	0.6
122.03672	0.8
125.02369	0.8
131.35208	0.3
133.02881	4.1
134.03679	0.5
135.04475	2.0
136.63281	0.3
137.02388	0.7
139.11224	1.5
145.02872	0.5
147.04475	1.4
148.05212	2.3
149.06018	100.0
150.06363	4.5
151.00313	1.3
152.99507	1.2
161.02382	13.2
161.04449	0.7
162.02715	0.8
178.99821	0.6
179.03465	1.0
183.10220	5.9
191.07251	0.4
224.81674	0.3
225.00887	0.9
243.03024	1.0
255.02991	2.8
260.79031	0.3
271.02530	7.3
272.03015	0.9
278.65607	0.3
283.02405	0.4
292.06076	0.4
293.08707	0.7
293.10690	0.5
300.02814	10.2
301.03470	3.9
302.03922	0.5
311.11459	0.8
328.25085	0.4
353.12473	8.6
367.04211	0.3
425.14606	17.0
426.15204	1.6
442.16254	0.4
443.15588	3.0
447.23096	0.8
496.72388	0.3
525.09656	0.4
536.30206	0.6
549.56317	0.3
609.14716	10.8
609.26117	10.0
610.14709	1.0
610.26685	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	609.205
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01767	0.9
57.03333	2.2
58.00471	1.4
59.01266	23.1
68.61724	1.0
69.04741	0.8
71.01270	34.5
71.26893	1.6
72.99194	1.5
73.02842	4.3
75.74696	0.8
83.01302	1.4
85.02847	17.2
86.03170	1.0
87.00785	2.0
89.02335	29.2
90.02650	0.9
95.01272	6.1
97.02850	0.9
99.00787	15.6
101.02348	10.1
110.02219	0.8
113.02361	50.4
114.02724	1.8
119.03426	5.2
123.04442	7.7
125.02384	1.8
131.03409	2.9
134.03659	1.2
135.04446	29.6
143.03427	2.4
146.57874	0.9
149.04486	9.8
153.05525	7.0
161.02344	1.7
161.04506	4.0
191.05559	4.4
209.08173	0.8
233.06737	1.2
293.08694	1.2
297.09735	1.8
315.10910	7.5
358.58258	0.8
424.32578	0.8
447.15179	9.4
448.15192	1.0
477.16290	19.0
478.16794	2.1
577.22906	1.1
609.20520	100.0
610.20892	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	609.1838
Annotation	Calceolarioside C
Peak:m/z	Relative Intensity
57.03313	0.4
59.01265	9.3
60.01593	0.4
70.23788	0.4
71.01266	8.8
71.59281	0.4
72.99202	0.7
73.02825	1.1
73.38910	0.3
83.01276	1.2
83.13527	0.4
85.02385	0.5
85.02843	3.0
87.00749	0.5
89.02345	5.1
95.01273	0.6
95.19882	0.3
96.95914	0.6
99.00781	1.0
101.02335	5.5
109.02809	0.6
113.02383	3.3
117.03363	0.6
119.03425	3.8
119.04917	0.6
121.02863	0.8
123.04425	1.3
125.02347	0.6
126.22270	0.4
131.03436	1.9
132.02100	1.2
133.02885	32.9
134.03285	1.1
135.04449	21.3
136.04803	1.1
143.03464	0.4
145.02937	0.6
151.00359	0.8
151.03981	0.5
153.05467	0.5
161.02393	100.0
162.01497	0.6
162.02742	5.4
163.03925	0.5
165.01894	0.5
175.03925	0.6
179.03471	2.6
179.05524	0.8
191.05576	1.3
193.82578	0.4
210.53737	0.4
211.47787	0.3
215.31560	0.3
229.04759	0.4
243.03049	0.5
249.07727	0.9
255.03033	2.2
261.07663	0.4
271.02579	3.8
283.02435	0.5
297.09821	0.8
300.02835	6.3
301.03537	1.8
315.10944	6.9
316.11597	0.5
447.15091	9.1
448.15549	1.1
473.12967	0.6
609.18469	31.6
610.18927	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1844
Annotation	Unknow
Peak:m/z	Relative Intensity
56.25980	0.4
59.01269	9.7
64.44283	0.4
71.01276	6.3
72.99210	0.7
73.02825	1.4
73.98055	0.4
81.76904	0.4
85.02853	1.4
87.00787	0.5
89.02341	7.9
95.01289	0.7
95.04863	0.5
98.20583	1.0
99.00166	0.9
99.00784	10.7
101.02349	5.8
105.03422	0.7
109.02893	0.6
113.02371	3.2
117.03390	1.0
119.03413	4.3
123.04444	1.3
131.03398	0.8
132.02115	1.7
133.02888	32.0
134.03197	1.2
135.04453	27.0
136.04785	1.2
143.03436	0.6
145.02890	0.8
149.04477	0.7
153.05446	0.7
159.63206	0.4
160.01685	0.4
161.02396	100.0
162.02753	5.1
176.67574	0.5
179.03455	2.9
191.05586	2.3
205.66650	0.5
249.07715	1.0
271.30704	0.5
297.09891	1.2
300.02637	0.8
315.10995	6.8
316.11420	0.5
355.10367	0.4
447.15158	14.8
448.15689	1.2
459.73654	0.5
473.13351	0.6
609.18414	41.4
610.18842	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	609.1838
Annotation	Calceolarioside C
Peak:m/z	Relative Intensity
53.04989	0.4
53.36345	0.4
59.01265	8.7
65.00193	0.5
67.86783	0.4
69.76776	2.5
71.00896	0.5
71.01266	6.3
73.02821	1.6
73.35616	0.3
85.02831	1.8
87.00754	0.5
89.02338	6.4
95.01275	0.5
99.00784	8.1
101.02338	4.9
103.15900	0.4
107.01271	0.8
109.02840	0.5
113.02359	4.9
117.03396	1.0
119.03425	4.0
121.02863	1.1
123.04450	1.0
125.02357	1.5
131.03439	1.2
132.02118	1.0
133.02890	26.7
134.03210	0.4
135.04462	24.0
136.04753	1.1
145.02884	0.9
149.04485	1.0
151.00307	4.2
153.05533	0.6
161.02400	100.0
162.02739	4.9
163.00320	0.6
163.03920	0.7
175.03999	0.5
178.99850	2.1
179.03467	3.6
179.05498	0.5
180.03835	0.5
191.03296	0.3
191.05556	2.3
201.05565	0.5
203.03497	0.6
209.04625	0.4
209.08253	0.6
226.02640	0.7
227.03448	1.0
243.03029	3.6
244.03346	0.4
245.04475	0.4
249.07608	2.0
254.02191	0.8
255.03030	8.9
255.05492	0.7
256.03543	1.1
261.07800	1.4
269.04526	0.6
271.02518	17.9
272.03156	2.0
273.04153	0.4
279.08780	1.3
283.02667	1.1
286.61816	0.4
297.09805	2.7
299.02057	0.7
300.02814	39.1
301.03482	16.5
302.04028	1.4
315.10892	6.6
357.09900	0.7
445.61804	0.6
447.15167	16.6
448.15637	1.9
473.13168	5.2
474.13724	0.7
609.17340	52.0
610.17657	8.3
625.55322	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1493
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00502	0.8
59.01265	13.3
65.00216	2.9
69.90678	5.1
71.01272	8.9
71.13778	0.9
72.99204	1.1
73.02840	3.0
83.01292	1.8
84.87022	1.0
85.02878	2.2
87.00791	2.1
89.02345	5.8
95.01297	2.0
98.20482	1.1
98.47755	0.9
99.00767	1.2
101.02344	5.1
102.02667	1.1
107.01302	2.0
110.00014	2.1
111.00824	1.1
113.02373	3.3
115.03937	1.6
117.03374	19.3
117.04185	1.3
118.03737	6.4
119.03409	1.1
119.04951	5.0
120.05273	1.7
121.02939	1.2
123.00807	1.9
123.04420	2.0
125.02452	1.0
131.03467	1.5
133.02872	4.0
135.00749	1.0
135.04471	9.6
136.04785	3.2
136.98740	1.4
137.02324	1.5
139.00319	2.8
143.03433	2.0
145.02895	75.3
146.03230	31.7
147.03386	7.1
149.02431	1.5
151.00304	6.6
152.01164	1.5
161.02393	11.3
161.06029	1.7
162.02774	3.6
163.03967	3.4
165.99049	2.3
171.04445	3.3
178.99832	4.7
179.03438	1.3
187.03983	3.3
189.01892	1.7
198.03229	1.1
199.03952	2.6
203.03450	3.9
205.05099	2.1
205.07054	1.1
213.01906	1.5
214.02701	2.8
215.03558	6.8
226.02812	1.3
227.03481	1.9
230.02257	1.9
231.03032	4.1
241.01434	3.8
242.02243	4.8
243.02998	7.4
246.05244	1.4
253.01765	1.0
254.02441	1.2
255.02995	4.1
255.64836	1.0
256.03586	1.7
257.04642	2.1
258.01706	5.2
259.02469	9.1
260.03140	1.2
269.01047	1.7
270.01755	7.6
271.02570	14.0
272.03171	2.6
273.01395	0.9
273.04086	5.7
274.04776	1.7
284.03363	2.0
285.04144	11.3
286.01230	4.5
286.04553	1.6
287.02075	33.7
287.05362	2.9
288.02295	2.0
298.01178	3.9
299.02014	3.7
300.02820	13.4
301.03598	16.8
302.04333	13.9
303.04581	1.9
312.02875	1.6
313.03629	12.3
314.03979	1.8
315.01587	17.3
315.05002	1.3
315.11102	1.7
316.02081	3.9
316.11316	1.3
317.11288	1.6
329.03003	2.6
330.03845	39.5
331.04477	12.5
341.38495	1.0
456.51224	1.0
461.16776	4.8
462.17249	11.8
463.17523	10.5
505.33984	2.9
565.14124	1.2
577.11481	1.5
591.13696	2.9
608.20825	16.0
609.13782	100.0
610.14368	15.5
610.23724	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1475
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66714	0.3
59.01266	0.5
65.00195	0.4
69.56350	1.0
69.56774	2.0
83.01264	0.4
107.01280	1.1
108.02095	2.0
135.00819	0.5
135.04443	0.5
148.01587	1.4
151.00299	3.9
161.02348	0.6
163.00319	1.2
164.01093	0.9
168.94469	0.4
178.99829	2.4
183.45787	0.4
187.03970	0.5
198.03099	0.4
199.03935	0.9
203.03418	0.6
211.03999	0.5
215.03456	0.7
216.04288	0.8
226.02740	1.7
227.03467	2.5
228.04095	0.5
243.03029	11.2
244.03571	1.3
254.02284	2.4
255.03027	29.8
256.03351	2.2
270.11951	0.5
271.02530	61.5
272.02994	5.2
277.60931	0.4
299.02106	2.1
300.02814	100.0
301.03275	9.7
365.51291	0.4
450.51318	0.4
609.14734	42.7
610.14954	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1471
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01275	0.4
63.02273	1.0
65.00209	2.0
70.88464	1.3
72.60146	0.5
74.88837	0.4
83.01266	1.3
93.03375	0.5
107.01302	3.9
108.02094	1.4
109.02863	1.8
121.02879	2.0
135.00807	1.6
139.03841	0.4
148.01608	1.7
151.00316	12.5
161.02397	0.7
163.00351	3.3
163.03970	0.6
164.01097	0.8
169.01431	0.8
178.99832	5.3
183.04417	0.6
187.03873	0.5
190.99838	0.6
193.01453	0.4
199.04025	0.9
201.01897	0.6
203.03534	0.7
211.04004	1.0
213.02034	0.4
215.03633	1.0
216.04314	0.5
222.81058	0.4
226.02737	2.4
227.03540	3.8
228.03957	0.6
229.05101	1.2
243.03003	13.9
244.03349	0.8
245.04517	1.8
246.07126	0.5
254.02237	2.8
255.03027	33.1
256.03397	2.2
271.02536	70.0
272.03003	6.3
273.04141	0.9
283.02576	1.0
299.02182	2.2
300.02814	84.0
301.03525	35.3
302.03833	2.5
609.14716	100.0
610.15082	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	609.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	12.2
60.01596	1.0
61.62982	0.9
65.00208	2.7
65.00526	1.0
71.01276	7.7
73.02837	1.7
87.00766	2.0
89.02334	5.6
91.00122	0.9
93.03351	2.5
95.01308	2.4
99.00791	1.5
101.02376	6.0
102.02704	1.6
104.79697	1.1
107.01318	3.6
108.02103	1.4
109.02897	1.7
110.00026	3.7
111.00779	2.1
113.02353	2.9
117.03378	27.8
118.03715	13.4
119.03419	2.4
119.04924	5.5
120.05297	1.7
121.02821	1.0
121.89300	1.0
123.00825	1.9
124.01568	1.2
125.02360	2.9
131.03474	1.3
131.57730	1.2
132.02118	1.1
133.02870	3.2
135.00890	1.3
135.04437	14.7
136.04781	4.1
136.98813	1.1
137.04965	1.0
139.00296	3.9
145.02890	100.0
146.03226	42.6
147.03397	10.5
148.18384	1.0
149.02431	2.2
151.00291	8.5
152.01045	2.4
153.01855	2.4
153.05470	1.1
159.04445	1.0
159.99954	1.0
161.02383	9.5
162.21091	1.1
163.00322	3.9
163.03961	2.9
164.01155	1.1
165.99016	4.0
166.99800	3.2
168.13156	0.9
171.04530	1.9
178.99805	4.5
183.04478	2.8
185.02428	1.5
187.03983	2.9
199.03954	3.7
200.04707	0.9
201.05585	2.3
209.00960	1.1
211.04025	3.5
215.03471	1.7
216.04190	1.6
226.02623	2.1
227.03479	8.9
228.04095	2.5
229.05061	2.6
242.55577	1.0
243.03021	14.7
244.03650	2.5
245.04524	2.4
249.07768	1.3
254.02281	3.3
255.03024	36.1
256.03564	1.8
257.04645	4.9
271.02512	40.9
271.05478	2.0
272.03207	13.6
273.03976	1.8
283.02551	14.8
284.02832	2.0
285.04166	3.1
297.09662	1.2
298.10031	1.1
299.02011	2.2
300.02823	52.0
301.03583	42.4
302.03986	3.4
315.10947	2.9
316.11102	2.3
317.11371	2.1
343.04456	1.5
407.39337	1.1
445.15802	1.5
461.16791	4.5
462.17105	11.7
463.17355	10.4
489.13898	1.1
550.85931	1.0
591.13562	3.6
608.20856	13.1
609.13770	95.7
609.22314	10.6
610.14392	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	607.3291
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	6.2
69.37896	2.8
81.13200	0.3
93.03374	0.7
120.40019	0.4
145.02876	0.9
169.06590	0.4
183.08000	0.6
188.06433	0.4
210.06865	9.5
211.07643	100.0
212.07974	6.6
262.93515	0.4
267.24670	0.4
297.39993	0.4
404.22638	0.4
450.62964	0.4
607.36407	0.7
608.37433	0.4
637.05359	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1263
Annotation	56343-26-1
Peak:m/z	Relative Intensity
59.01261	0.5
63.02281	0.8
65.00198	1.7
69.46990	1.8
71.01257	0.5
71.30319	0.2
76.41512	0.2
83.01265	1.1
85.02834	0.3
87.00773	0.3
93.03355	0.4
95.01305	0.2
98.31559	0.2
99.00696	0.2
101.02341	0.2
107.01300	2.7
108.02075	1.3
109.02830	1.4
117.03368	0.8
119.04955	0.4
121.02856	2.3
124.01603	0.4
125.02335	0.5
133.02866	0.6
135.00778	1.0
135.04411	1.0
145.02901	2.7
147.00824	0.3
148.01587	1.5
149.02362	0.5
151.00310	13.8
152.00674	0.6
153.01869	0.3
159.04431	0.3
161.02393	2.3
163.00345	2.9
163.03929	0.5
164.01074	1.0
165.01900	0.3
166.02657	0.4
167.04959	0.3
169.01382	0.9
178.99821	6.2
179.03450	0.4
180.00177	0.4
181.04993	0.7
183.04480	0.5
185.06059	0.4
187.03984	0.8
190.99825	0.7
192.00552	0.3
198.03113	0.3
199.03973	1.0
202.02608	0.2
203.03481	1.0
211.03976	1.4
215.03395	0.5
215.92215	0.2
216.04250	0.8
218.05817	0.6
226.02702	1.4
227.03500	3.7
227.07118	0.2
228.03946	0.4
229.05051	0.9
239.03505	0.5
243.03011	10.4
244.03421	0.9
245.04649	1.2
254.02231	2.1
255.03012	28.7
256.03421	2.2
257.04507	0.6
266.02209	0.3
271.02527	53.8
272.03000	6.0
273.04193	1.3
283.02466	1.3
284.03455	1.2
285.04056	2.2
299.02045	1.6
300.02805	100.0
301.03516	48.0
302.03912	3.5
313.03589	0.3
323.07629	0.5
343.64444	0.2
447.16074	0.3
463.08911	42.2
464.09262	4.8
547.21344	0.3
609.12634	60.6
610.12988	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	609.1264
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01264	1.2
61.98721	0.3
63.02301	0.7
65.00201	1.4
69.29616	2.5
69.30039	0.8
71.01276	1.5
77.39958	0.3
83.01267	1.4
85.02863	0.4
87.00784	0.4
88.98711	1.6
89.02328	0.4
93.03362	0.5
95.01317	0.4
98.20812	0.3
101.02360	0.7
107.01303	3.5
107.69768	0.3
108.02069	1.6
109.02848	1.5
113.02382	0.4
117.03375	1.0
119.04953	0.7
121.02873	2.7
125.02392	0.6
133.02898	0.6
135.00821	0.7
135.04465	0.7
145.02885	2.9
147.00940	0.4
148.01654	1.4
149.02454	0.6
149.06033	0.4
151.00310	14.4
152.00752	0.4
159.04370	0.4
161.02408	1.3
161.04500	0.3
163.00319	3.3
164.01070	0.9
169.01387	0.9
175.03955	0.4
178.99838	6.5
183.04457	0.9
185.06136	0.3
187.03964	0.7
190.99895	0.5
192.00607	0.6
193.01433	0.3
198.03123	0.3
199.03969	1.0
201.01892	0.5
201.03728	0.4
201.05536	0.7
203.03525	0.7
211.04030	1.5
211.13518	0.4
215.03528	0.8
216.04300	0.5
226.02754	1.9
227.03459	3.1
229.04953	0.5
239.03450	0.5
243.03027	11.3
244.03488	1.5
245.04558	1.2
254.02284	2.4
255.03023	28.9
256.03348	2.1
271.02530	60.4
272.03000	6.0
273.03940	1.4
283.02567	1.2
285.04077	0.4
299.02209	1.8
300.02817	100.0
301.03525	44.9
302.03870	3.0
343.04596	0.4
389.17422	0.3
447.25980	0.6
463.08920	42.3
464.09146	4.7
505.54117	0.3
609.13007	51.2
610.13342	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	607.2049
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01238	0.3
53.55897	0.3
59.01266	9.4
69.70125	2.1
71.01262	5.7
71.17541	0.3
72.99210	0.7
73.02835	1.7
83.01275	0.4
85.02838	2.3
87.00766	1.3
87.42854	0.3
89.02330	5.2
89.03832	0.4
95.01345	0.3
101.02352	4.5
103.03964	0.4
105.03363	0.5
113.02355	2.7
115.03919	0.5
117.03380	9.3
118.03667	0.4
119.03458	2.5
119.04927	5.9
120.05253	0.3
123.04433	0.6
131.03421	1.0
132.02084	1.3
133.02882	31.4
134.03259	1.1
135.04443	12.5
136.04765	0.6
137.02344	0.5
137.05992	0.7
143.03419	0.8
145.02890	29.3
146.03223	1.2
149.05934	0.3
161.02388	100.0
162.02727	5.0
163.03947	2.2
163.06036	0.4
179.03458	1.6
201.01831	0.3
205.07106	0.5
211.07681	0.6
233.08289	0.7
270.01755	0.3
271.02499	1.0
279.03226	0.3
280.89166	0.3
297.10040	0.4
299.02100	1.6
299.11435	0.4
300.02664	0.7
301.03607	0.7
315.10870	1.0
443.15686	2.4
445.17130	1.0
453.11505	0.4
461.16782	8.0
462.17191	0.9
463.09195	0.5
509.33801	0.3
591.23120	0.3
607.20490	60.4
608.20892	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	607.2052
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79175	0.7
59.01266	13.4
71.00936	1.0
71.01274	7.8
71.09174	0.8
71.09505	1.3
72.67767	0.7
73.02828	2.9
78.20300	0.8
83.01284	1.3
85.02848	3.0
87.00761	2.1
89.02340	6.2
99.00764	1.3
99.25066	0.7
101.02348	6.8
104.50933	0.7
113.02344	4.1
117.03381	25.6
119.03433	4.9
119.04951	7.4
125.02366	0.9
131.03412	2.2
133.02885	9.1
135.04449	18.7
136.04758	1.2
143.03455	1.7
145.02890	100.0
146.03218	6.0
149.06000	3.7
150.03194	0.9
151.03859	1.2
153.05498	1.0
156.72183	0.9
161.02393	24.1
161.04501	1.7
161.06029	2.7
162.02802	1.0
163.03999	4.6
165.01894	0.9
177.01941	2.0
177.05513	1.3
179.03403	1.9
185.44402	0.7
195.06639	1.0
203.03490	0.8
205.05066	2.0
205.07030	1.0
227.03531	0.9
227.64064	0.7
241.01486	2.0
242.02171	3.8
243.02965	1.9
264.13211	0.8
265.07117	1.9
270.01883	3.5
271.02567	5.5
285.04120	1.8
299.02109	6.3
300.02591	1.7
311.09384	0.8
314.04422	1.8
315.10849	6.3
375.11945	0.9
384.12711	2.8
461.16739	17.5
462.17267	1.4
564.13940	1.6
607.20813	59.0
608.21216	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	607.2047
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01775	0.2
57.03334	0.2
58.00485	0.4
59.01264	7.8
61.67347	0.2
69.03365	0.2
69.28426	1.5
69.28839	0.5
71.01268	4.5
72.44078	0.2
72.99181	0.2
73.02831	1.2
82.41749	0.2
85.02840	1.4
85.99972	0.2
87.00777	1.1
87.04403	0.4
89.02339	2.9
101.02337	3.7
103.03902	0.3
113.02360	2.3
115.03915	0.7
117.03374	28.0
118.03720	1.2
119.03446	2.4
119.04935	4.8
120.05276	0.5
123.04425	1.1
125.02368	0.4
131.03439	1.0
133.02899	0.9
133.60399	0.2
134.03685	0.2
135.04449	11.4
136.04758	0.5
143.03409	0.9
145.02885	100.0
146.03226	4.4
153.05518	1.1
159.04359	0.2
161.02394	3.3
162.02893	0.2
162.34129	0.2
163.03947	4.2
163.06134	0.5
164.04283	0.8
175.03957	0.4
177.05470	0.4
179.05614	0.2
187.03987	0.2
205.05228	0.3
205.07169	0.6
207.06557	0.3
209.08221	0.3
249.07751	1.8
261.07767	1.4
267.08835	0.3
271.02496	0.4
279.08771	1.6
297.09866	3.1
299.02039	0.8
301.03516	0.3
315.10928	4.7
316.11322	0.3
443.15573	2.5
461.16730	29.1
462.17102	2.6
463.09073	0.2
487.14804	2.1
488.14905	0.2
607.20435	54.5
608.20856	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	607.2048
Annotation	Isosyringalide 3'-alpha-L-rhamnopyranoside
Peak:m/z	Relative Intensity
55.01771	0.3
57.03338	0.3
58.00489	0.4
59.01268	13.2
59.38690	0.2
61.32405	0.2
68.52367	0.2
69.03345	0.4
69.54430	1.4
69.99484	0.2
71.01273	7.5
71.98465	0.2
72.99196	1.0
73.02841	2.4
76.30788	0.2
77.03850	0.2
81.03354	0.2
83.01269	0.3
85.02843	2.4
86.00005	0.4
87.00774	2.5
87.04412	0.6
89.02341	6.0
89.03909	0.2
93.03358	0.4
95.01279	0.3
96.95977	0.2
97.98386	0.2
99.00778	1.1
99.04392	0.3
101.02353	6.4
103.03936	0.5
105.03355	0.5
107.04974	0.3
110.33099	0.2
113.02348	2.3
115.03944	1.5
117.03381	27.4
118.03709	1.2
119.03453	4.2
119.04939	6.9
120.05311	0.3
120.69444	0.2
121.02862	0.5
123.04440	1.6
125.02468	0.2
131.03441	1.5
132.02092	1.1
133.02885	17.9
133.06560	1.1
134.03714	1.9
134.06822	0.2
134.16013	0.2
135.04456	19.3
136.04773	0.8
137.06009	0.3
143.03442	1.4
145.02892	100.0
146.03229	5.0
149.04556	0.3
149.05960	0.3
153.04401	0.3
153.05479	1.2
160.01640	0.2
161.02397	44.6
161.05975	3.0
162.02733	2.5
162.06331	0.3
163.03966	3.9
163.06058	0.4
172.87918	0.2
175.03929	0.4
177.05515	0.7
177.81801	0.2
179.03468	1.5
179.05336	0.2
180.03877	0.3
187.03885	0.3
193.05080	2.1
201.61526	0.2
205.05075	2.3
205.07137	1.1
206.05392	0.3
211.07562	0.2
217.09106	0.2
221.04446	0.2
235.06218	0.4
255.02974	0.2
265.07230	1.7
266.07629	0.3
271.02704	0.3
300.02771	0.4
315.10953	4.7
316.11163	0.7
371.15051	0.5
443.15771	0.3
453.11157	0.7
453.61304	0.2
461.16721	14.6
462.16983	2.0
533.20770	0.3
607.20483	68.2
608.20837	12.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2046
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01270	8.8
62.82850	0.5
64.53863	0.5
70.15987	0.5
70.35252	1.7
71.01269	5.6
73.02837	2.0
83.01280	0.5
83.74087	0.5
85.02836	2.6
87.00777	1.6
89.02332	4.4
101.02346	2.9
104.99751	0.5
105.03370	1.1
113.02370	1.8
117.03383	14.1
119.03442	1.2
119.04945	4.5
123.04463	0.7
131.03413	1.1
132.02109	2.0
133.02885	46.4
134.02324	0.5
134.03262	2.1
135.04468	14.6
143.03462	0.6
145.02893	38.3
146.03247	1.8
153.05522	0.7
161.02397	100.0
162.02742	4.6
163.04036	1.5
179.03453	4.6
205.07094	0.7
249.07729	0.8
284.03369	1.4
297.24765	0.6
299.05716	2.4
315.11032	0.8
341.15024	0.5
348.26938	0.6
443.15567	1.2
461.16885	8.3
462.16919	0.7
607.20453	66.9
608.20776	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	607.2044
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49283	0.3
58.00464	0.4
59.01260	7.6
61.09314	0.4
61.87595	0.3
69.46246	3.4
71.01273	3.7
73.02840	1.1
83.01280	0.4
85.02843	1.4
87.00758	1.1
87.04415	0.4
89.02327	3.4
89.03881	0.4
98.19838	0.8
101.02336	3.8
103.27625	0.4
113.02357	2.0
115.03905	0.9
117.03374	27.4
118.03690	1.3
119.03433	2.8
119.04937	4.3
123.04412	1.0
125.02389	0.4
131.03404	0.5
135.04457	12.2
143.03441	1.1
144.47594	0.4
145.02888	100.0
146.03241	4.0
153.05490	1.2
156.64812	0.4
160.29010	0.3
161.02405	0.6
163.03978	2.8
163.06236	0.4
205.07074	0.4
209.08241	0.6
249.07741	1.5
261.07816	1.6
279.08774	1.5
297.09909	1.8
299.01947	0.8
315.10922	4.4
390.20059	0.4
443.15933	2.2
449.37723	0.4
461.16748	26.6
462.17212	3.1
487.14679	1.6
592.78448	0.4
607.20459	49.5
608.20892	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	607.2047
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09681	0.2
55.01758	0.3
55.15768	0.3
58.00484	0.2
59.01265	7.9
64.30284	0.2
69.38188	0.2
70.90981	0.2
71.01276	4.6
72.99207	0.4
73.02827	1.6
73.20038	0.2
74.31854	0.2
83.01288	0.5
85.02845	0.8
86.00018	0.2
87.00779	1.5
87.04396	0.6
89.02339	4.2
98.19743	0.5
99.00755	1.1
99.75152	0.2
101.02350	4.7
103.03928	0.5
113.02357	1.6
115.03931	0.9
117.03380	20.9
118.03709	0.5
119.03439	3.7
119.04936	3.9
120.05273	0.2
123.04433	0.9
125.67398	0.2
131.03432	0.9
133.06528	1.0
135.04451	15.9
136.04787	0.6
143.03452	1.5
145.02890	100.0
146.03223	3.8
153.05528	1.0
161.02402	0.9
161.06026	2.2
163.03952	4.2
163.06146	0.4
177.05504	0.4
187.04056	0.4
205.05040	2.7
205.07143	1.3
235.06139	0.3
265.07178	1.7
278.04889	0.2
297.10028	0.3
315.10928	5.7
316.11209	0.5
443.15955	0.2
461.16739	13.5
462.17072	1.2
484.84918	0.2
607.20465	46.5
608.20819	8.4
608.28265	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3037
Annotation	Unknow
Peak:m/z	Relative Intensity
55.22390	1.9
57.03341	2.8
59.01263	48.1
61.43633	2.3
69.03374	1.8
71.01267	9.8
71.59052	1.8
71.59463	3.6
73.02842	2.9
80.02570	1.9
81.03359	2.5
83.01243	2.8
83.04893	2.0
84.00012	2.0
89.02337	6.9
96.16962	2.2
96.95884	2.0
97.02853	2.2
97.06493	4.8
101.02333	12.6
109.06500	2.3
113.02350	5.3
119.03464	2.2
119.08595	1.8
123.04467	2.6
123.08084	2.4
125.09646	5.7
137.09645	3.7
152.10555	2.3
163.11230	6.0
179.05563	3.5
185.11835	5.7
191.10753	2.1
191.14401	8.6
207.10210	5.1
209.11838	39.2
217.15898	2.4
225.11319	5.3
227.12817	2.8
237.11272	4.3
245.19067	19.5
246.19528	2.1
253.09319	40.4
263.20236	3.9
271.17139	4.2
289.18161	100.0
290.18372	10.0
307.19235	99.4
308.19565	10.4
459.43982	2.0
543.28253	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	605.2419
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24390	0.2
61.81608	0.2
71.21021	0.5
71.89945	0.2
76.58842	0.2
77.07318	0.2
106.06512	0.4
149.49950	0.2
149.75484	0.2
162.05544	0.3
199.74919	0.2
211.44687	0.2
394.11908	0.6
415.15778	0.6
416.16983	0.4
420.97961	0.2
429.17328	0.8
430.18039	1.8
443.18924	0.7
444.15988	0.3
444.19272	0.2
445.20154	0.3
453.17264	0.3
456.15860	0.3
457.20895	1.7
458.16937	0.3
458.21600	0.4
459.17783	2.9
460.18402	0.4
461.23373	0.4
470.21481	0.6
471.18405	1.5
472.18790	0.5
473.19867	4.3
474.20425	0.9
475.21393	0.6
485.19955	1.9
485.24127	1.0
486.20953	3.9
487.21628	1.1
496.19305	0.8
497.19861	0.3
499.17709	1.7
500.18250	0.5
501.22824	2.3
502.23312	0.7
503.21063	0.3
510.20615	0.5
511.21432	3.0
512.21661	0.7
513.19556	2.8
514.20197	9.2
515.20544	1.4
517.18567	0.4
518.19806	1.6
519.20209	0.4
528.21753	0.9
529.22565	100.0
530.22894	19.4
532.21228	1.7
533.22333	1.9
546.22919	0.5
561.25159	0.8
573.21552	1.3
605.24274	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2468
Annotation	Penstebioside
Peak:m/z	Relative Intensity
55.01771	4.2
57.03341	3.4
58.00478	2.1
59.01266	34.0
61.98721	1.4
69.03345	1.2
71.01273	67.2
71.57018	0.6
72.01596	0.9
72.99202	3.2
73.02836	24.2
75.00762	2.0
80.96397	0.6
81.03373	0.6
82.95272	0.7
83.01279	10.9
83.02402	0.9
85.02843	31.9
85.99992	0.6
86.03185	0.8
87.00770	4.9
87.04404	0.7
89.02341	16.5
93.03339	0.6
95.01276	5.4
96.01619	0.5
96.95896	1.5
97.02865	3.3
99.00783	13.8
101.02350	49.5
102.02699	1.3
105.84592	0.5
111.00787	1.4
112.01585	4.6
113.02361	31.5
114.02684	0.6
117.03362	1.5
119.03426	4.3
119.04961	1.1
121.02899	0.8
123.04478	0.8
125.02380	4.8
129.01816	0.8
131.03459	1.6
133.02882	7.1
135.04449	3.6
137.02377	1.2
143.03430	4.3
145.02885	5.8
149.02348	0.7
149.04475	1.7
150.03183	1.0
151.03947	0.9
158.29089	0.6
159.02972	4.8
161.02400	16.2
161.04509	19.3
161.05835	0.6
162.02779	0.9
162.04764	0.6
163.03952	2.0
165.01939	0.6
179.03474	2.3
179.05602	2.1
191.03540	0.8
191.05589	1.2
193.01462	1.0
202.06349	0.8
233.06639	0.6
245.11879	2.8
297.07718	0.7
302.72150	0.5
311.15094	21.5
312.15384	1.2
340.09030	0.6
392.12326	1.2
443.19308	100.0
444.19656	12.2
444.25534	0.9
459.13974	0.6
461.14560	3.5
471.15860	0.9
472.15988	1.0
473.20374	33.6
474.20798	4.1
501.23477	0.9
503.25345	0.6
555.19000	0.7
573.19946	2.8
587.20551	0.7
605.24786	88.8
606.25208	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	603.2468
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03664	0.5
53.22295	0.5
54.18455	0.4
59.01270	3.0
61.98724	1.2
71.01286	1.9
71.60341	0.8
73.02849	0.6
85.02867	0.6
87.00772	0.6
89.02337	0.9
93.03368	4.2
95.01305	0.5
96.95927	0.5
98.95537	0.6
101.02374	1.0
108.02095	0.8
109.02880	1.3
113.02362	1.0
114.43183	0.4
119.01313	0.5
121.02879	14.6
122.03673	11.2
123.04451	1.0
125.02402	1.1
133.02875	4.3
134.03664	14.0
135.04475	4.5
136.01585	2.2
136.30644	0.5
137.02390	3.9
143.17943	0.4
145.02901	1.4
146.03604	0.7
147.00822	0.7
147.04417	0.6
148.05240	0.9
149.02388	34.4
149.06024	26.0
150.03174	82.2
151.03545	3.8
153.05521	0.7
161.02361	4.8
161.05988	0.7
162.02979	1.0
163.03949	1.2
164.01048	0.6
164.04753	11.0
165.01910	10.1
165.05527	100.0
166.06311	48.7
167.06862	3.1
177.05524	0.9
179.03456	9.6
179.07072	2.0
180.04250	14.4
181.04959	1.7
181.08665	31.2
182.09050	1.3
183.06502	0.5
194.05852	4.3
195.06610	84.5
196.06990	4.0
197.08173	4.4
205.05009	1.9
207.06648	0.7
209.08253	0.7
210.05322	1.5
225.07683	6.7
248.03130	0.5
253.04950	0.9
281.04510	0.6
297.07751	0.9
299.09131	1.3
300.09982	1.1
301.10776	1.5
313.07184	0.6
328.09537	1.1
329.10355	9.7
330.10550	0.8
343.11963	4.6
344.12701	9.7
345.13031	1.1
357.13351	1.8
358.10501	0.8
359.10641	1.3
359.15100	35.0
360.15491	3.5
373.12985	39.9
374.13116	3.9
403.13715	0.7
407.17154	6.6
408.17645	0.7
421.15179	11.8
422.15268	1.1
477.14301	0.6
518.76294	0.5
521.66553	1.2
522.17017	0.8
555.22491	22.7
556.22778	3.6
575.25690	0.5
603.23914	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	603.225
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03335	0.6
59.01263	3.0
61.98708	0.9
69.03345	0.6
71.01269	0.8
71.27063	0.9
83.01279	1.9
93.03344	0.7
95.01265	0.7
95.04892	0.7
96.95864	0.6
97.02831	1.0
108.02054	0.5
109.02863	6.6
117.03334	0.7
119.04932	0.9
121.02798	1.9
122.03648	1.3
123.04430	5.2
124.01604	0.8
125.02365	6.0
127.47240	0.4
133.02846	2.1
134.03685	0.5
135.04446	2.0
137.02383	4.0
139.03932	1.4
145.02895	1.5
146.03653	1.5
147.04460	3.5
149.02362	2.3
150.03107	0.6
151.03954	3.1
157.02831	0.7
159.04469	2.8
161.02394	7.6
161.06026	1.7
162.03122	0.9
163.00281	0.6
163.03972	3.4
164.01105	1.5
165.01898	5.0
171.04471	1.7
172.05188	0.7
173.02402	3.1
173.06006	1.0
174.03188	7.0
175.03961	19.0
176.04424	0.9
177.05531	1.4
179.03450	1.5
183.04523	0.7
185.06035	1.1
187.03957	2.4
188.04642	0.5
189.05507	1.4
191.03484	0.7
197.05978	0.6
198.03256	0.6
199.04031	5.1
200.04538	0.7
201.01913	5.3
201.05530	2.0
202.02431	0.5
203.03462	1.6
203.07103	0.9
205.05049	2.2
209.06120	0.4
211.03990	2.2
211.07382	0.4
212.04749	1.1
212.34160	0.4
213.05547	3.2
213.57124	0.5
214.02635	0.6
215.03464	3.1
215.06639	0.5
217.05078	1.8
219.06537	1.0
225.05589	1.7
226.02693	0.6
226.06194	0.7
227.03432	2.4
227.07132	0.7
228.04243	0.8
229.01425	0.7
229.05104	1.5
231.02986	3.4
237.05449	0.8
239.03470	1.0
240.04321	1.1
241.05107	2.9
242.02194	1.8
243.03003	14.4
243.06720	1.7
244.03503	1.8
245.04503	1.9
247.06151	3.0
253.05051	2.3
254.05693	0.9
255.02991	5.4
255.06573	1.4
256.03571	2.2
257.04550	2.7
269.04614	1.5
271.02579	1.3
271.06204	0.7
281.04565	1.1
282.01782	0.5
283.02505	4.1
284.03079	0.6
285.04016	2.2
287.05783	0.5
288.02789	1.1
289.07062	0.8
297.04059	2.3
298.04886	0.7
299.05511	0.8
315.16132	1.7
327.15994	1.4
328.17007	0.5
329.17593	0.9
339.08838	0.7
339.16028	0.6
353.17627	0.5
355.15613	2.6
356.16473	0.6
363.08954	2.0
364.09033	0.6
369.16946	1.1
371.18680	0.9
381.09741	0.7
389.06693	0.6
392.12354	2.4
394.06677	0.7
397.16595	1.1
405.09875	1.8
407.07800	26.6
408.08069	3.0
409.20349	0.5
423.18088	0.6
431.07669	0.6
439.17966	0.8
441.19318	1.4
449.08932	4.0
450.09262	0.7
451.17697	4.5
452.18475	0.6
479.17496	1.0
480.17755	1.6
481.18668	1.3
585.21326	0.7
603.22467	100.0
604.22852	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	603.2244
Annotation	CHEBI:67969
Peak:m/z	Relative Intensity
51.10476	0.6
59.01255	3.3
61.98701	0.7
69.26151	7.3
71.01266	1.0
83.01259	2.0
89.02332	1.1
95.04929	0.6
97.02844	1.4
101.02356	0.8
109.02877	4.2
121.02870	1.3
123.04469	4.5
125.02368	1.1
133.02895	1.1
135.04384	0.9
137.02339	0.9
139.03935	1.0
145.02922	3.5
146.03647	1.3
147.04440	2.9
149.02371	2.2
151.03944	1.6
157.02895	0.8
159.04390	1.7
161.02322	2.8
161.06038	1.7
163.03925	2.1
165.12782	1.2
171.04469	2.0
172.05215	3.1
173.02379	13.9
173.05942	1.2
174.03191	8.5
175.03958	13.4
180.79590	0.7
187.03987	2.4
188.04912	1.0
189.05559	5.5
199.03926	5.4
201.00084	1.5
201.01906	22.7
201.05635	1.1
201.71870	0.7
205.05038	1.6
209.11815	2.6
211.03876	1.1
213.05528	3.0
215.03456	0.8
217.05028	0.9
219.02899	0.9
225.05565	1.4
231.02959	1.8
240.04353	1.1
241.05080	2.3
243.02919	2.5
247.06116	2.6
253.05142	1.2
253.09296	2.0
254.05733	0.9
255.06674	1.2
257.04581	0.8
263.20236	0.8
281.04523	0.8
289.18109	1.9
307.19229	5.5
315.16037	1.6
327.16092	2.3
345.07904	0.8
355.15573	26.1
356.15775	3.9
363.08740	3.5
371.18802	3.2
397.16803	3.7
407.07611	6.0
408.08038	0.8
445.20728	1.4
451.17706	3.6
452.18213	1.3
541.22186	3.9
542.22699	1.5
543.28619	0.8
559.23627	3.0
564.38080	0.7
585.21600	1.3
603.22467	100.0
604.22839	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	603.2258
Annotation	CHEBI:67969
Peak:m/z	Relative Intensity
57.03335	0.7
59.01247	2.1
69.84598	3.5
74.20328	0.6
83.01284	2.1
96.95943	1.3
97.02837	1.4
98.02966	0.6
98.19861	0.8
109.02876	5.9
121.02878	1.4
122.03660	1.4
123.04446	4.4
124.01590	0.8
125.02393	4.9
133.02863	1.9
135.04442	1.8
137.02374	5.2
139.03911	1.2
144.03081	0.6
145.02843	1.5
146.03644	1.4
147.04427	3.4
149.02386	1.8
151.03912	2.5
157.02870	0.7
159.04440	2.5
161.02397	8.8
161.06030	1.7
162.03120	0.8
163.03946	2.8
164.01143	0.8
165.01860	5.0
171.04477	2.0
173.02380	4.3
174.03221	4.9
175.03984	16.3
176.04536	0.8
177.02040	0.9
177.05522	1.2
179.03511	1.1
183.04497	0.9
185.05992	0.9
187.03972	2.5
188.04730	1.1
189.05539	1.2
191.03375	1.3
199.03989	3.3
201.01953	4.7
201.05560	1.3
203.03473	2.0
205.05035	1.8
211.04018	1.7
212.04593	0.8
213.05559	2.8
214.02608	1.0
215.03586	3.0
217.05058	1.9
219.02800	0.7
219.06622	1.1
225.05568	1.1
227.03467	2.5
229.04865	1.1
231.03020	2.9
239.03558	1.2
240.04341	1.2
241.05055	1.9
242.02161	2.1
243.03020	12.2
243.05600	1.0
243.06676	1.6
244.03448	1.1
245.04639	1.3
247.06064	2.1
253.05034	1.9
255.03046	5.7
255.06651	1.8
256.03708	2.2
257.04581	2.2
264.82352	0.7
269.04553	2.4
271.02432	1.8
272.87183	0.7
281.04541	1.2
283.02383	3.1
285.04077	1.8
289.07172	1.0
297.04074	2.1
315.16138	1.2
327.15872	0.7
353.17502	0.8
353.63080	0.8
355.15564	1.8
363.08896	1.9
369.16998	1.1
392.12268	4.3
392.62640	0.7
397.16742	1.0
405.09845	2.2
407.07788	23.4
408.08084	2.4
439.16959	1.3
441.19235	1.3
449.09003	2.8
451.17801	3.4
479.17242	1.5
480.17999	1.5
481.18652	1.0
603.22479	100.0
604.22778	18.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.2363
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25497	1.5
55.01773	2.0
57.03335	2.1
58.00495	3.4
58.02858	2.5
59.01264	71.7
61.98721	2.0
71.01270	69.1
71.59822	2.1
72.99212	2.8
73.02837	9.5
75.00729	1.9
78.95776	2.3
79.61298	1.7
83.01277	6.9
85.02848	28.6
87.00771	5.4
89.02337	59.9
95.01259	5.4
96.95906	3.3
99.00762	4.2
101.02342	51.6
113.02354	46.8
114.02757	1.8
119.03423	17.8
125.02362	5.7
131.03435	11.6
143.03438	4.5
145.02911	2.2
149.04485	6.6
161.02423	3.5
161.04459	9.2
164.07155	2.3
179.05525	13.7
191.05594	8.2
206.08131	2.5
233.06633	4.4
379.16229	35.0
409.17169	32.0
410.17386	2.7
541.21490	100.0
542.21802	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	601.2304
Annotation	Unknow
Peak:m/z	Relative Intensity
55.52240	0.5
55.61435	0.5
56.88118	0.5
59.01266	1.9
61.98712	1.0
64.45357	0.5
71.01266	2.2
82.44498	0.5
85.02855	0.9
85.60748	0.6
89.02351	0.7
93.03354	3.6
98.19670	0.8
101.02341	1.1
108.02070	0.5
113.02316	0.7
121.02879	5.5
122.03667	13.1
123.04453	1.2
124.01540	0.8
125.02348	0.7
128.90825	0.6
133.02882	2.1
135.04414	1.4
136.01593	1.6
137.02397	1.1
145.02882	0.8
146.03673	11.5
147.04373	1.7
149.02383	26.8
149.06033	4.2
150.03166	90.2
151.00328	0.8
151.03487	4.4
160.01616	1.5
161.02408	1.6
161.06020	3.2
163.03928	1.2
164.04733	12.8
165.01892	4.6
165.05525	100.0
166.02562	1.5
166.05907	4.5
170.49350	0.6
177.01900	0.7
177.05484	1.0
179.03471	1.3
179.07101	20.0
180.04276	8.8
180.07440	0.7
181.04979	2.2
187.03986	0.5
194.05833	0.6
195.06609	68.9
196.06944	4.3
225.07611	3.7
238.06369	2.1
250.06342	0.7
253.08690	1.9
254.05899	0.8
255.06363	0.6
267.10300	1.6
269.08270	0.8
278.05899	1.2
279.06699	2.1
281.04688	0.8
281.08234	0.8
282.05310	3.2
283.06027	0.9
290.96957	0.5
293.08356	1.9
294.05554	1.1
294.08954	2.2
295.09781	6.7
296.07379	0.7
296.10309	2.7
297.07751	8.1
298.08438	2.3
307.09723	0.8
308.10654	0.7
309.07755	5.2
309.11380	1.7
310.08255	0.6
311.13016	0.6
312.10052	8.8
313.10703	1.5
324.10196	3.6
325.10565	0.6
327.12515	7.7
339.12454	3.2
341.10361	0.8
343.11911	0.6
357.09897	3.2
357.13593	1.3
360.12350	2.6
361.12997	0.6
372.12112	0.8
373.12988	6.6
375.14584	25.8
376.14914	3.0
379.13794	0.7
387.14581	31.8
388.14893	2.9
391.79422	0.5
407.11496	0.6
421.15216	1.8
422.15225	0.6
431.14868	1.7
439.22079	1.3
460.15448	6.8
461.15625	1.2
475.17719	27.2
476.17929	4.3
505.18903	1.2
523.19843	17.6
523.27405	1.1
524.20038	2.8
535.19824	2.2
553.20898	16.1
554.21295	3.3
569.16705	1.2
571.21783	0.7
583.22644	0.7
601.23004	9.1
602.23633	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	601.2093
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03337	0.7
63.02282	5.0
65.00210	11.4
68.37972	0.3
68.99690	0.4
70.74191	0.5
70.74556	1.0
75.21033	0.3
83.01280	9.1
86.41241	0.4
91.01801	0.5
93.03362	19.9
94.03719	0.7
95.01289	3.0
96.95899	3.5
107.01295	18.3
108.99194	0.4
109.02867	0.9
111.00774	0.6
113.11530	0.3
117.03370	4.1
119.04964	1.0
121.02843	0.4
123.00806	1.4
124.01587	4.8
125.02364	6.9
130.04283	0.4
131.04892	0.5
135.00812	2.8
135.04449	4.4
137.02373	1.3
139.00299	1.2
141.01842	0.4
143.04964	1.5
145.02893	3.2
145.06563	0.6
151.00311	53.5
152.01105	21.2
152.99554	1.1
153.01888	3.5
157.06554	0.7
158.03720	0.3
158.46759	0.4
159.04472	4.1
161.02399	6.8
161.06041	2.3
162.02809	0.4
163.00323	9.6
164.01071	1.0
167.04964	0.4
169.01389	4.3
171.04428	1.2
173.06013	0.6
177.05522	1.3
178.99825	23.5
180.00252	0.7
181.01422	0.8
183.04471	0.7
185.06050	1.5
187.03969	2.5
189.05513	1.0
189.99005	0.6
191.03380	1.9
201.05566	7.0
202.05806	0.7
206.99342	38.2
208.00107	14.9
209.00508	0.5
211.03946	1.8
213.05566	1.3
215.03517	2.5
227.03554	2.9
228.03925	0.5
229.05066	5.5
233.04558	0.7
245.04576	64.2
246.04881	4.3
253.21957	0.4
255.03053	8.2
256.03586	1.0
257.04593	10.9
258.05023	0.7
273.04108	100.0
274.04434	7.1
283.02548	13.5
284.03223	3.3
299.16495	0.7
299.27872	0.4
301.03604	77.0
302.03876	6.2
336.19882	0.4
340.93552	0.4
481.25980	1.1
583.19507	0.4
601.20844	1.8
602.21429	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.3392
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91195	0.2
70.45465	0.3
70.45863	0.5
93.03344	0.2
114.28232	0.2
117.03371	9.5
119.04945	2.4
121.02867	3.0
123.04417	1.0
124.09790	0.2
133.02885	0.6
134.03609	0.3
145.02885	47.6
146.03233	1.8
147.08089	2.3
149.57378	0.2
153.12865	0.2
162.03152	1.1
163.03975	1.8
223.07707	0.2
237.09264	0.2
260.08026	0.2
263.07193	0.2
299.16577	100.0
300.16925	10.0
300.20453	0.3
304.06006	0.2
489.30151	0.2
599.33923	3.1
600.34308	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.2975
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89933	0.7
58.02594	1.3
58.02863	14.9
59.01267	1.6
66.03387	1.3
68.04952	0.8
69.90604	4.0
70.02875	1.2
71.01259	1.1
72.00780	1.2
72.97429	1.2
74.00597	1.8
74.02362	30.8
74.21371	0.8
81.04482	1.8
82.02877	3.7
84.04440	1.6
85.03966	0.7
86.02366	12.7
86.05994	1.9
86.98992	1.0
87.05541	6.4
88.03922	1.2
95.02422	1.1
96.04420	1.2
96.95927	1.2
97.03986	3.6
97.07597	0.8
99.05544	24.3
100.00299	3.6
101.07115	3.2
102.05508	5.4
107.06068	1.3
109.04007	5.2
109.07631	2.1
111.05563	2.2
112.03977	3.3
123.05571	2.4
125.02605	0.8
125.03486	4.4
125.07070	1.0
127.05096	4.1
128.03462	70.3
129.03787	2.5
132.98071	0.7
135.04570	1.2
135.05562	9.6
137.07167	2.0
139.05112	0.7
141.06633	3.2
143.04562	96.2
144.04903	2.5
145.06146	3.7
146.04543	11.5
149.07243	1.5
151.05132	0.9
153.06636	6.2
155.08220	1.6
155.14365	2.8
161.02386	1.0
166.09787	3.4
167.04564	5.3
167.08234	5.8
169.06190	1.7
170.03290	1.7
171.04030	1.5
179.04594	24.4
180.04967	0.9
181.06122	3.8
185.05661	1.8
186.10843	1.9
187.07922	0.9
192.07780	3.0
192.59906	0.8
197.05649	4.6
210.08839	20.5
211.07364	0.8
211.09169	0.8
216.08194	0.9
228.09958	2.0
236.06758	1.3
249.22351	1.9
254.07866	52.3
255.08246	3.9
272.08945	100.0
273.09296	5.7
273.78864	0.8
293.21371	3.8
327.20035	6.9
471.25439	7.4
472.25778	0.9
582.28668	10.9
583.29059	1.5
600.29736	74.9
601.29993	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	599.3392
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61555	0.4
69.70817	1.7
69.71223	1.0
72.65833	0.4
78.53628	0.4
78.95786	0.5
93.07575	0.4
99.64766	0.4
117.03372	6.1
119.04959	2.2
121.02835	3.1
123.04407	0.8
145.02885	39.4
146.03201	1.8
160.05222	0.4
162.03157	0.7
163.03925	1.3
181.57588	0.4
185.53731	0.4
234.23610	0.5
234.82541	0.4
299.16577	100.0
300.16907	9.1
599.33978	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.3393
Annotation	Unknow
Peak:m/z	Relative Intensity
71.22340	0.7
93.03364	3.7
95.43354	0.3
98.96200	0.3
105.76266	0.3
117.03391	3.8
119.04930	2.3
121.02883	1.2
131.04950	0.5
143.04953	1.1
145.02893	10.7
146.03217	0.4
147.08113	7.7
151.11250	1.9
153.12794	1.4
159.04489	0.5
162.03212	0.3
163.03932	1.6
171.04460	1.0
195.08014	0.5
197.11819	0.5
221.06110	1.1
222.06854	0.7
223.07657	5.9
224.07848	0.6
235.07639	2.4
237.09225	5.3
246.07127	0.3
247.07584	0.5
262.06146	0.5
263.07190	8.4
264.07889	2.8
265.08835	1.6
271.47452	0.4
279.06573	0.4
281.08228	1.5
281.73273	0.4
291.06677	2.4
299.16638	7.6
300.16827	0.9
323.16547	0.5
325.17990	0.6
346.79523	0.4
351.16223	0.6
403.19028	0.5
417.20825	1.8
445.20352	8.0
446.20688	1.1
451.25122	0.5
599.33917	100.0
600.34229	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	599.3392
Annotation	Unknow
Peak:m/z	Relative Intensity
54.86378	0.3
69.75014	0.7
69.75429	1.5
83.36134	0.3
93.03351	5.2
117.03375	3.7
119.04931	2.8
121.02863	0.9
123.08134	0.4
131.04933	0.7
133.02872	0.6
137.39619	0.4
143.04945	0.7
145.02890	12.2
146.03203	0.5
147.08112	1.9
151.11180	1.5
153.12732	1.7
159.04434	0.6
163.03941	1.0
171.04453	1.5
195.08212	0.4
197.11705	0.7
206.08972	0.4
211.07596	1.0
219.08237	0.5
221.06021	1.3
221.11768	0.4
222.06863	0.9
223.07632	7.5
224.08047	0.4
235.07690	2.4
237.09215	7.7
238.09467	0.7
246.06921	0.5
247.07657	1.2
261.05490	0.5
262.06259	0.7
263.07184	7.8
264.07755	2.2
265.08768	1.8
281.08255	2.9
291.06732	2.3
299.16586	11.8
300.16898	1.4
309.07559	0.4
323.16534	0.4
351.15961	0.7
403.19299	0.7
417.20847	1.9
445.20352	8.4
446.20480	1.6
462.20255	0.5
599.33881	100.0
600.34271	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	599.3393
Annotation	Unknow
Peak:m/z	Relative Intensity
63.33753	0.2
70.33913	0.2
70.34248	0.7
85.88572	0.2
117.03375	6.7
118.04227	0.2
119.04942	1.7
121.02879	1.9
123.04453	0.6
133.02943	0.4
145.02888	39.8
146.03217	1.9
151.11063	0.2
159.77156	0.2
161.06030	0.2
162.03169	0.6
163.03993	1.4
299.16583	100.0
300.16931	9.6
389.66840	0.2
438.42947	0.2
599.32819	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.3394
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80381	0.1
59.26659	0.1
80.44868	0.1
109.50971	0.1
117.03372	6.8
118.04292	0.2
119.04938	1.8
121.02873	2.1
121.03685	0.2
123.04445	0.7
133.02864	0.4
134.03618	0.2
145.02890	41.8
146.02167	0.2
146.03207	1.7
153.12766	0.2
161.64943	0.1
162.03175	1.0
162.84653	0.1
163.03978	1.4
218.12190	0.1
229.73938	0.1
299.16580	100.0
300.16922	9.0
480.12463	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	599.3392
Annotation	Unknow
Peak:m/z	Relative Intensity
59.92747	0.1
63.39466	0.1
67.95378	0.1
78.17240	0.1
86.76003	0.1
93.03355	1.3
93.03924	0.1
95.04936	0.1
117.03375	0.3
123.04442	0.5
133.02888	0.1
138.81218	0.1
141.07039	0.1
143.04991	0.3
145.02879	0.4
167.04961	0.1
169.02881	0.3
169.06532	0.3
170.06685	0.1
171.04492	0.1
177.55029	0.1
181.06519	0.2
182.07362	0.2
183.08144	0.6
193.06493	0.2
196.05237	0.1
209.06114	0.6
210.06866	11.5
211.07637	100.0
212.07974	6.8
221.06128	0.2
223.07631	0.1
228.92995	0.1
235.07660	1.1
236.08293	0.1
237.09273	0.3
247.07518	0.4
249.05501	0.2
258.79974	0.1
263.07175	3.3
264.07599	0.4
265.08698	0.1
267.06805	0.1
281.08279	0.1
291.06769	0.8
299.16711	0.1
323.16489	0.4
351.16589	0.1
403.19193	1.0
404.19376	0.2
417.20792	5.2
418.21121	0.7
445.20300	5.7
446.20599	0.8
567.99738	0.1
599.33881	6.7
600.34192	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	599.339
Annotation	Unknow
Peak:m/z	Relative Intensity
68.01744	2.4
69.64254	16.0
95.93342	2.2
97.66620	2.2
99.14462	2.1
117.03340	4.3
123.75048	2.3
145.02866	28.8
203.24637	2.3
227.73451	2.3
299.16586	100.0
300.16876	9.8
339.39310	2.3
386.87082	2.1
539.01257	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.3392
Annotation	Unknow
Peak:m/z	Relative Intensity
56.39807	0.3
69.31995	0.9
69.32416	2.2
78.36919	0.3
93.03349	3.5
117.03383	2.7
118.93719	0.3
119.04942	2.4
121.02902	0.3
123.08064	0.3
133.02802	0.3
143.04967	1.0
145.02884	10.0
151.11203	1.1
153.12747	1.2
159.04498	0.5
163.03944	0.7
171.04417	0.9
171.13947	0.3
193.06512	0.4
195.08095	0.5
197.11925	0.6
210.06793	1.1
211.07631	8.9
212.07990	2.0
213.08218	0.6
219.08144	0.5
221.06075	1.0
221.11728	0.4
222.06813	1.1
223.07651	6.3
224.08006	0.7
235.07657	1.8
236.08205	0.3
237.06982	0.4
237.09247	6.3
238.09615	0.4
247.07672	0.9
250.06178	0.3
261.05450	0.3
262.06439	0.4
263.07187	7.2
264.07843	2.0
265.08728	1.5
281.08273	2.2
291.06711	2.6
299.16574	8.8
300.16879	1.1
309.07538	0.4
323.16568	0.6
325.17896	0.5
329.51715	0.3
339.15927	0.4
351.16461	0.6
381.01306	0.3
403.19110	0.8
416.71542	0.3
417.21008	1.4
445.20251	6.0
446.20480	1.2
462.20514	0.4
594.21045	0.3
599.33899	100.0
600.34247	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	599.3392
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24571	0.5
67.51186	0.5
70.45229	0.9
72.37725	0.6
85.32658	0.5
93.03355	5.9
94.94041	0.5
98.20427	0.7
117.03368	3.6
119.04945	2.1
131.46936	0.6
143.04915	0.8
145.02895	9.8
146.03188	0.7
151.11237	1.7
153.12762	1.1
159.04460	0.7
169.02881	1.1
171.04446	2.0
197.11716	0.7
197.83072	0.5
211.07564	1.2
221.06015	2.2
222.06781	0.7
223.07645	6.5
225.68958	0.6
233.06248	0.7
235.07687	5.5
236.08237	1.0
237.09209	5.6
247.07634	2.4
262.06415	0.6
263.07187	20.2
264.07697	4.4
265.08633	1.7
267.06653	0.7
281.08237	1.4
291.06763	6.6
299.16568	10.4
300.16943	0.9
323.16681	1.3
325.18292	1.1
351.16156	0.7
401.21246	0.7
403.19138	5.1
404.19409	0.9
417.15106	1.2
417.20779	24.9
418.21136	3.6
428.61945	0.6
445.14008	1.4
445.20294	37.6
446.20596	5.8
599.33905	100.0
600.34222	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	599.2362
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22000	1.1
52.70950	1.1
55.12277	1.1
58.00482	3.4
59.01263	100.0
61.98711	2.9
70.03262	5.9
71.01269	64.1
72.99193	4.1
73.02835	2.6
83.01283	1.7
85.02847	10.9
87.00779	4.8
89.02335	87.1
90.02670	1.8
90.77188	1.2
95.01289	5.1
101.02344	30.7
107.03422	1.1
109.02831	1.3
113.02357	26.3
119.03414	34.7
121.02811	1.4
123.04427	1.4
125.02319	3.1
131.03441	3.5
133.02861	4.5
135.04440	3.5
137.02325	2.1
143.03419	8.7
145.02859	1.3
149.02374	3.3
149.04489	3.7
150.03116	2.4
151.03938	2.0
159.51376	1.1
161.02406	13.0
161.04503	10.1
162.03046	5.5
165.05560	1.3
166.06253	2.7
177.05502	3.2
179.03343	1.9
179.03816	2.4
179.05560	47.5
180.05934	1.4
195.06560	1.7
229.47168	1.2
233.83510	1.1
289.07251	3.3
294.55618	1.1
329.13843	3.0
333.56412	1.5
359.15057	3.3
513.62787	1.5
514.12836	1.9
537.16833	1.2
539.21478	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	599.236
Annotation	Unknow
Peak:m/z	Relative Intensity
55.94379	0.8
59.01260	5.4
60.99174	1.2
61.98722	8.2
71.01274	4.2
71.56833	1.2
72.99193	3.5
73.02827	2.1
81.03347	7.1
83.01273	5.0
83.04916	1.3
85.02863	2.2
87.00802	1.0
87.52775	0.9
88.98697	5.7
89.02338	1.8
93.03340	1.3
95.01295	2.1
95.04944	4.9
96.95926	5.4
97.02858	4.4
99.04441	2.3
100.32813	1.1
101.02374	2.6
107.04934	1.0
108.02056	1.6
108.04498	1.1
109.02870	3.0
109.06561	1.1
110.29672	0.9
110.57588	0.9
110.76066	0.9
111.00733	1.0
111.04430	3.0
111.79690	0.9
113.02374	2.1
115.91824	0.8
117.03349	1.3
119.04937	2.5
121.02870	4.7
121.06593	1.2
123.04440	9.7
125.02365	10.1
133.02921	4.0
135.04478	4.7
135.05397	1.0
137.02391	5.1
137.06013	2.8
139.03938	4.3
147.04489	2.2
149.02370	1.0
149.05995	1.1
151.03963	3.8
153.05544	1.2
159.04324	1.0
161.02399	7.9
163.03954	1.7
164.04694	1.3
165.01883	2.6
165.05568	5.1
165.06731	0.9
166.02652	1.0
167.03462	19.3
167.10664	1.3
168.03859	1.4
171.10272	1.3
175.03995	1.1
177.05533	1.7
179.03427	6.0
179.07104	1.2
181.05058	1.7
191.03339	1.1
191.10741	7.4
197.04553	5.0
209.04543	23.3
209.11839	1.3
210.04959	1.7
231.10269	4.0
231.13806	4.6
239.05641	11.1
243.13843	1.1
245.15495	3.1
247.13480	2.8
257.12720	0.9
269.06720	3.2
271.13196	0.9
273.11395	1.2
275.13004	8.0
287.12961	2.7
289.07224	1.2
301.14401	1.4
317.13998	18.4
318.14343	2.0
329.14047	8.9
332.02411	1.0
343.15656	2.0
347.15094	7.2
357.13651	1.0
359.15073	100.0
360.15433	13.9
371.15115	5.6
389.16156	71.0
390.16492	9.6
392.12119	1.9
401.16245	3.1
403.13821	1.4
419.17252	20.4
420.17468	3.2
431.17075	1.5
443.16882	1.2
461.18277	10.2
462.18784	1.7
479.13037	1.5
479.19412	20.6
480.19702	3.3
491.19464	5.7
492.20041	1.2
509.20340	3.7
581.22797	2.5
599.23688	17.8
600.24567	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	599.2151
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97546	0.4
59.01270	1.5
61.98721	1.7
69.29850	0.5
69.78893	1.1
69.79307	2.1
71.01288	1.1
81.99874	0.4
93.03370	3.1
94.15993	0.5
96.95925	0.6
99.64808	0.5
101.02375	0.6
108.02078	0.7
109.02847	0.6
121.02882	4.0
122.03661	12.8
123.00864	0.7
123.04475	0.8
125.02367	0.7
133.02887	2.0
133.24968	0.4
135.04468	2.1
136.01610	1.4
137.02382	0.6
149.02385	17.2
150.03168	94.3
151.03508	3.3
161.02377	2.4
163.03976	4.5
164.04713	3.5
164.40935	0.5
165.05527	100.0
166.02600	0.5
166.05824	3.4
175.04007	0.5
176.04671	0.4
177.01840	0.5
178.06316	0.8
179.03442	0.6
180.04245	6.5
181.04875	0.6
191.19722	0.5
193.05052	1.2
195.06610	61.0
196.06955	2.9
206.05774	0.7
207.06604	0.9
208.07393	1.1
210.05251	1.7
226.06490	0.8
236.06929	2.2
240.06514	2.4
253.04970	0.9
254.05850	2.0
263.54211	0.5
265.05139	0.6
266.05865	2.7
267.06628	0.8
269.04666	0.5
269.08240	2.4
270.05353	0.7
282.05234	1.1
283.05850	0.6
285.07693	0.9
294.05338	4.4
295.06140	3.8
296.06509	0.5
297.07770	0.5
298.04831	1.4
299.08945	0.6
308.06860	1.3
309.07779	6.5
310.04880	1.6
310.08337	3.2
312.06360	1.1
313.07260	6.8
314.07446	0.5
321.07639	0.6
323.09372	1.1
324.09976	2.6
325.07294	10.3
325.10748	1.2
326.07788	1.1
327.08817	1.7
328.09604	7.5
329.10098	1.1
336.09805	0.5
337.07123	1.1
338.08112	0.7
339.08783	7.4
340.05634	0.8
340.09528	6.7
341.10010	0.6
342.11227	1.0
343.08148	1.8
343.11899	8.1
344.12201	1.1
353.10236	0.8
354.11130	4.3
355.08121	6.3
355.11893	14.4
356.08435	0.6
356.12308	1.0
357.09836	1.4
358.10532	2.0
367.11929	5.1
370.10641	2.4
372.12225	1.1
373.12970	17.2
374.13303	1.4
385.13016	40.1
386.13474	3.7
403.14001	3.7
510.85757	0.6
521.18225	1.4
533.18164	0.8
539.19250	0.9
551.19214	1.2
569.20367	5.9
581.20129	1.6
599.21466	12.3
600.21613	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	599.2148
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10797	0.6
54.44467	0.6
59.01265	1.4
59.74485	0.6
61.98716	1.4
69.37599	5.8
93.03367	3.5
98.19764	1.2
108.02123	0.8
109.02907	1.0
121.02882	4.3
122.03658	16.2
123.04505	0.8
128.78319	0.7
133.02882	1.7
135.04477	1.9
136.01575	1.4
139.03893	0.9
145.02922	0.9
149.02382	23.7
150.03166	100.0
151.03473	3.7
153.01909	1.1
161.02388	2.0
163.03940	9.2
164.04744	5.7
165.05524	98.8
166.05873	5.7
175.03979	1.1
177.01855	0.9
178.06335	1.8
178.24831	0.6
179.03529	1.1
180.04253	6.9
192.04166	1.5
193.04988	2.1
195.06609	49.3
196.06969	2.8
207.06506	1.3
208.07321	1.5
210.05396	3.3
211.07721	1.1
218.05844	0.6
227.03474	1.2
236.06926	1.9
238.06523	0.7
240.06490	3.2
254.05913	2.1
255.02786	0.8
266.05908	2.2
267.06653	0.9
269.04764	1.1
269.08203	2.9
270.05435	0.9
279.06598	0.9
280.07501	0.9
281.04544	0.7
281.07904	0.8
282.05338	1.8
283.02689	1.2
283.09741	1.2
284.03326	0.7
285.04062	1.2
294.05441	4.8
295.06262	3.9
295.09183	0.7
296.06750	1.3
297.04340	0.7
297.07642	1.6
298.04843	2.2
299.05692	0.8
299.09241	0.8
307.05981	0.8
308.06885	1.2
309.07779	7.3
310.05075	1.5
310.08432	3.5
311.09302	5.3
312.06482	2.1
312.10043	3.8
313.07224	7.8
313.10571	1.0
314.07819	1.8
321.07721	1.5
323.09250	2.9
324.10001	2.2
325.07275	10.9
325.10831	2.0
326.07813	1.6
327.05429	1.0
327.08813	3.7
327.12311	1.3
328.06052	1.0
328.09656	6.7
329.10281	1.2
334.13309	0.7
337.07230	0.9
339.08783	7.8
340.09521	5.7
341.10141	2.8
342.07437	1.1
342.11142	1.8
343.08105	2.4
343.11911	8.5
353.10501	1.4
354.11169	4.2
355.08133	5.5
355.11926	14.1
356.12329	1.5
357.10089	3.8
358.10449	3.0
367.11911	4.7
370.10767	1.5
371.11060	0.9
372.12225	3.3
373.12982	16.0
374.13373	2.3
385.13004	37.0
386.13422	5.3
433.12497	0.8
476.14691	1.6
477.15891	1.3
488.14856	1.5
489.15561	0.9
491.17270	6.2
492.17429	1.2
503.17221	7.5
504.17703	1.5
521.18311	14.2
522.18463	2.4
533.18298	21.6
534.18689	3.2
539.20032	0.8
551.19110	5.3
569.20398	13.6
570.20483	1.9
581.20569	3.3
599.21381	16.6
600.21857	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	598.2821
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78319	1.8
57.03325	1.8
58.02867	13.7
58.81386	1.7
59.01261	5.9
61.98717	5.7
64.34748	2.3
66.03365	2.3
71.01275	3.2
71.58158	3.4
74.02359	27.0
81.04465	3.0
82.02878	2.5
86.02386	10.5
87.05518	5.0
97.03965	2.6
97.30552	2.0
99.00806	2.1
99.05540	23.3
101.07117	4.1
102.05529	4.7
109.03992	4.4
112.03969	3.4
121.02862	2.7
124.07581	2.3
125.02388	10.9
125.03360	2.2
127.05085	3.5
128.03462	64.5
133.02864	2.0
135.04475	5.1
135.05595	9.7
137.02335	2.2
141.06731	3.4
143.04558	96.2
144.04892	2.0
146.04544	8.9
149.02362	3.7
150.02945	2.5
151.03931	2.7
153.06662	3.1
161.02390	5.1
163.03918	2.2
164.04758	3.1
165.05475	2.8
166.02675	3.0
166.09782	5.6
167.04628	3.9
167.08174	5.9
171.04066	3.0
179.04634	24.3
185.05708	2.2
197.05692	3.0
210.08867	20.3
218.22502	2.1
254.07857	51.5
255.08281	2.1
259.06174	3.1
269.04523	2.9
272.08936	100.0
273.09171	6.6
291.19870	2.2
325.18491	6.3
336.30890	2.2
387.14505	3.4
388.14822	4.5
418.16010	4.2
469.23932	6.5
536.20349	17.7
537.20313	2.5
580.26819	10.5
598.28259	56.9
599.20251	2.9
599.28668	8.6
622.49487	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.2206
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60483	1.6
55.44680	1.2
58.00469	4.0
59.01265	100.0
59.74440	1.2
69.47679	8.5
69.48087	2.6
71.01272	65.5
71.01665	3.5
72.99202	5.0
83.01275	2.0
85.02862	11.5
87.00762	4.2
89.02340	95.3
95.01302	3.5
101.02348	39.6
107.03448	1.3
113.01629	2.5
113.02364	29.3
119.03432	41.1
131.03442	3.8
134.22754	1.3
139.97481	1.6
143.03442	10.8
146.64133	1.3
149.02357	2.9
149.04471	4.0
150.03107	2.2
161.02382	3.3
161.04544	11.2
164.04695	2.7
179.05588	41.1
179.07069	2.8
189.05630	2.1
195.06772	1.4
251.07176	8.4
264.08023	1.6
278.09479	2.0
279.03699	2.0
279.06699	27.4
279.09760	1.7
280.06717	1.9
281.06506	1.9
293.08289	4.3
294.09061	21.9
295.09146	2.0
309.11420	16.5
312.10046	1.7
327.08734	2.3
327.12283	2.5
341.10123	1.6
342.11151	4.8
343.11502	1.7
357.13538	35.1
358.13925	3.6
365.73010	1.4
369.09827	1.5
399.14481	12.0
411.08228	1.4
590.11108	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	597.3146
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50453	0.2
55.01775	1.7
57.03342	1.3
58.00455	0.4
59.01266	25.6
60.01591	0.3
61.98715	0.2
69.03347	0.6
70.09139	0.7
70.09557	0.3
71.01272	20.8
72.01614	0.3
72.70520	0.2
72.99197	0.9
73.02837	9.6
74.20152	0.2
74.89881	0.2
75.00767	1.3
81.03355	0.6
82.60143	0.2
83.01283	4.2
83.04923	1.3
85.02847	10.3
85.99993	0.6
86.03207	0.3
87.00775	1.6
89.02339	5.0
95.01299	1.7
95.05010	0.2
97.02869	1.3
99.00784	4.9
100.09143	0.2
101.02350	17.4
102.02661	0.4
102.20348	0.2
108.55534	0.2
111.00764	1.1
113.02362	7.5
115.03947	1.1
119.03436	0.5
125.02355	1.7
129.01865	0.5
131.03435	1.1
141.01906	0.3
143.03450	0.7
149.04488	0.4
150.03139	0.2
159.02934	1.3
161.02373	0.5
161.04507	3.3
165.05615	0.3
191.05640	0.3
199.18208	0.2
212.54976	0.2
233.06696	0.8
243.17168	0.8
243.19701	2.1
255.19647	0.2
357.10266	0.3
366.95587	0.2
374.81165	0.2
375.23996	0.5
387.11157	0.2
405.25162	1.8
406.25189	0.4
447.26202	0.3
469.33899	0.3
537.29291	3.4
538.29706	0.5
579.30389	2.1
580.31042	0.3
592.41785	0.2
597.31360	100.0
598.31732	18.3
623.59509	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.1841
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03334	9.3
59.01264	5.3
59.94369	0.7
65.72256	0.6
69.03361	2.1
69.64796	5.1
71.00945	0.6
71.01257	4.1
71.27467	0.6
72.99200	0.7
73.02826	2.7
75.00755	0.8
81.03355	1.3
83.01276	10.5
85.02851	1.2
87.00790	2.3
89.02339	3.3
93.03355	2.4
97.02839	1.1
98.19602	0.6
101.02358	6.4
103.03912	2.5
108.07957	0.7
109.02856	5.9
113.02444	1.0
119.03384	1.7
119.24044	0.7
121.02870	1.0
123.04448	8.7
125.02364	71.9
126.02703	2.3
131.03477	1.6
135.04439	0.7
137.02374	100.0
138.02742	3.1
139.03929	0.8
143.03415	1.3
145.02899	8.6
146.03745	1.0
149.02382	8.0
150.03174	5.8
151.03946	23.1
159.04485	2.0
161.06042	3.2
163.03954	0.9
163.06076	10.1
165.01891	2.4
165.05547	3.0
166.02676	1.0
167.03464	1.1
177.02023	0.7
179.03445	1.1
185.06050	2.3
187.03932	1.8
195.06642	1.2
203.07146	2.1
205.05130	1.6
205.07147	2.3
227.07159	1.0
245.08327	1.1
253.05066	1.3
269.04562	1.1
271.06174	23.8
272.06512	2.1
289.07294	5.1
394.61816	0.7
399.14548	3.5
400.15036	1.1
452.23627	0.8
459.15173	7.2
460.15689	1.1
475.14505	1.2
540.86804	0.7
593.66431	0.7
597.18390	41.4
598.18756	7.0
611.64288	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.1842
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03335	10.9
58.50080	0.3
59.01265	6.2
60.61664	0.3
63.37258	0.3
67.01781	0.3
68.99701	0.4
69.03336	2.1
69.65525	2.2
71.01275	3.4
71.63066	0.3
72.99225	0.4
73.02842	2.5
81.03354	2.1
81.49078	0.3
83.01277	10.6
85.02850	1.6
87.00772	1.7
87.04430	0.4
89.02335	1.9
93.03348	3.0
95.04944	0.4
97.02847	0.9
101.02355	6.4
102.29324	0.3
103.03887	2.3
105.03374	0.9
108.02060	0.6
108.94820	0.3
109.02863	8.6
113.02329	0.4
115.03936	0.8
117.03405	0.5
118.34021	0.3
119.03403	1.2
121.02859	1.4
122.03651	1.0
123.04443	10.8
124.04782	0.3
125.02367	72.8
126.02711	2.7
131.03421	0.7
133.02834	0.4
135.04445	0.9
137.02376	100.0
138.02696	3.4
138.90189	0.3
139.03944	0.5
143.03419	1.1
145.02885	9.0
145.05029	0.6
146.03679	1.4
149.02388	7.5
150.03175	5.1
151.03946	23.2
152.04317	0.7
153.01865	0.3
157.06622	0.3
159.04425	2.2
160.05054	0.4
161.02438	0.6
161.06009	2.6
163.03909	1.0
163.06073	9.3
164.01114	0.5
165.01910	1.6
165.05492	1.1
166.02644	1.3
167.03528	0.8
167.04846	0.4
171.00050	0.3
175.03973	0.5
179.03459	0.9
179.79945	0.3
183.04488	0.4
184.05128	0.4
185.06021	2.0
186.06398	0.3
187.03969	2.2
188.04785	0.4
201.05504	0.9
201.98013	0.3
203.07164	2.6
204.07565	0.3
205.05275	0.6
205.07175	2.4
209.06134	0.4
227.07196	1.7
229.05093	0.5
230.05757	0.4
245.08217	1.1
253.05081	1.3
256.03903	0.4
265.09247	0.4
269.04333	0.5
270.05087	0.9
271.06177	20.9
272.06577	2.0
289.07205	3.4
290.07654	0.4
399.14520	0.6
459.08749	0.4
459.15167	7.3
460.15424	0.9
472.78870	0.3
475.14447	1.4
597.18359	35.0
598.18689	5.8
622.97382	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.1841
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10760	0.9
59.01261	4.2
67.19849	1.0
69.03333	1.1
69.58922	7.6
71.01278	8.8
72.99215	1.2
73.02832	5.2
83.01284	3.1
85.02842	3.9
87.00773	24.5
89.02346	2.2
93.03363	2.0
97.02864	1.6
97.94260	1.0
99.00772	4.0
100.01574	2.8
101.02374	3.1
109.02871	1.7
111.00794	14.1
112.98725	3.9
113.02365	1.7
115.00248	1.1
121.02862	3.4
122.03642	7.6
123.00794	6.5
123.04454	2.6
125.02399	1.7
129.01888	1.5
133.02856	2.6
135.04445	2.4
136.01620	1.3
137.02332	1.1
138.03206	1.2
142.99788	3.0
149.02377	17.9
150.03171	66.2
151.00270	3.5
151.03941	6.3
153.01889	11.5
153.05507	2.0
158.42584	1.0
161.02362	3.9
163.03951	2.7
164.04753	7.4
165.05528	88.8
166.02661	4.0
166.05852	4.6
167.83711	0.9
173.00914	8.1
173.02269	1.8
174.01660	3.0
175.03949	3.3
176.04703	4.0
177.05585	1.8
178.06265	2.0
179.03448	3.7
179.07138	5.7
180.04254	6.7
181.05032	7.9
189.05598	1.3
190.02731	2.1
191.03445	4.4
191.05461	1.3
191.07085	2.2
192.04210	1.3
193.08699	1.4
194.05779	5.6
195.06609	33.9
196.06956	1.6
203.03508	2.1
205.05002	2.1
206.05836	3.2
207.06371	1.2
209.08195	8.8
219.02901	2.6
221.08199	5.5
226.09079	1.0
234.05301	2.6
247.02448	3.4
249.07834	2.3
261.03998	1.9
262.04849	6.6
263.05554	1.7
264.06366	5.6
265.07181	5.2
266.07959	1.5
269.04562	1.5
276.06424	3.0
277.07257	9.6
285.76285	1.0
291.08768	1.7
302.98230	1.0
322.07199	1.8
323.09122	1.0
337.09393	26.5
338.09766	2.8
341.14139	1.4
354.10941	1.2
369.13489	7.9
399.14453	4.8
413.12415	4.1
425.12378	1.6
443.13675	3.1
461.14645	27.9
462.14978	4.1
473.14755	2.2
485.14767	1.6
491.15659	2.1
493.23941	1.2
521.16583	2.4
521.97760	1.1
531.15308	1.6
533.16779	6.9
579.17224	19.7
580.17700	3.7
597.18347	100.0
598.18884	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	597.184
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	0.9
56.35215	0.6
57.03333	1.2
59.01271	2.7
61.98713	2.0
68.99702	1.5
69.03340	1.5
69.53625	3.4
69.54040	1.0
71.01277	2.8
73.02826	1.3
81.03349	7.9
81.32139	0.5
83.01273	6.9
83.04945	0.6
85.02843	2.9
93.03363	6.2
95.01305	1.3
95.04924	5.9
97.02853	5.6
99.04428	2.4
101.02336	1.3
107.04916	2.3
107.05573	0.6
108.02108	0.7
109.02876	4.3
109.06533	0.8
111.00755	1.1
111.04446	3.7
113.02354	1.8
119.04945	8.8
121.02892	4.3
121.06509	1.7
123.00767	0.9
123.04443	17.8
125.02365	15.6
133.02898	0.8
133.06505	1.2
135.04449	5.9
136.05154	0.6
137.02385	5.3
137.06007	7.4
138.03181	0.6
139.03940	11.6
140.04305	1.0
147.04491	3.5
149.02432	1.8
149.06046	1.6
150.03233	0.7
151.00316	0.7
151.03990	3.8
151.07541	0.8
153.05531	1.7
155.03505	1.2
161.02361	1.9
161.06015	1.9
163.03943	5.3
163.07584	1.1
164.04750	1.1
165.01933	2.9
165.05528	8.6
166.01204	0.5
166.02638	2.2
167.03448	35.5
168.03853	1.4
173.05928	0.8
174.98100	0.6
175.04053	1.2
177.01901	1.0
177.05533	2.5
179.03471	10.5
179.07121	1.3
180.04112	1.4
181.05000	2.7
189.05551	9.5
191.03453	2.5
191.07118	0.9
193.05046	4.9
197.04533	5.0
205.01422	0.7
205.05090	1.3
207.02991	1.2
207.06651	2.4
209.04547	32.4
210.04871	1.3
217.01472	0.6
219.02931	1.4
219.06532	1.2
221.04544	5.5
223.06178	1.3
229.08710	2.5
231.06631	1.2
233.04561	1.1
235.06163	1.7
239.05635	13.0
240.05943	0.8
247.09827	0.8
251.05699	4.5
257.03522	0.9
263.05713	1.7
269.06726	1.9
273.07730	4.5
274.07999	0.7
275.05798	1.1
281.06796	2.2
285.07883	1.5
286.04572	0.7
299.09464	0.8
315.08807	20.1
316.09161	2.5
327.08743	7.6
328.09180	1.1
329.10471	1.0
339.08768	1.1
341.10266	1.2
345.09866	7.0
346.10410	0.7
354.07687	0.7
357.09872	100.0
358.10199	10.3
369.09897	5.2
370.10153	0.8
371.11734	0.8
387.10934	78.7
388.11255	8.1
399.10974	3.8
417.12018	27.0
418.12265	2.1
429.11942	1.5
441.12244	0.7
459.13052	11.2
460.13434	1.1
471.13187	0.8
477.14139	33.1
478.14795	4.9
489.14185	8.0
490.14716	1.4
507.15195	3.7
561.16577	0.8
579.17480	2.6
597.18274	22.0
597.32452	1.1
598.18616	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	597.1837
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03334	2.5
59.01269	1.4
68.99704	1.2
69.03322	1.6
69.46347	5.2
71.01268	3.2
73.02858	1.3
81.03355	10.9
83.01276	10.5
85.02855	2.9
93.03350	9.5
95.01303	3.5
95.04926	7.7
97.02842	9.5
99.04411	5.6
100.74284	0.7
107.04939	3.4
108.02041	1.2
109.02233	0.8
109.02853	5.1
111.00805	1.3
111.04455	4.1
113.02381	2.6
119.04929	13.6
121.02876	5.7
121.06544	2.5
122.03703	1.4
123.00845	1.0
123.04444	23.5
125.02370	17.3
125.19753	0.8
126.02732	0.9
133.06471	1.0
135.04448	7.1
137.02373	8.1
137.06009	11.0
139.03944	17.5
141.05531	1.0
141.46956	0.8
143.95233	0.7
144.99643	0.8
145.02946	0.8
147.04469	5.9
149.02403	2.9
149.06017	2.7
151.03920	6.5
151.07504	0.9
153.05507	2.0
155.03464	1.5
161.06032	2.3
163.03955	4.9
163.07603	2.0
164.04709	2.3
165.01897	5.2
165.05515	10.7
166.02626	2.5
167.03455	43.0
168.03833	1.0
168.52092	0.8
176.50664	1.0
177.01947	1.7
177.05530	2.4
179.03468	12.9
179.07082	2.0
180.04115	1.8
181.05020	4.3
189.05537	12.5
191.03470	3.1
191.07118	1.2
192.04317	1.2
193.05080	6.0
197.04524	8.5
203.03494	1.1
205.04906	1.3
207.06567	2.0
209.04541	37.1
210.04855	1.7
219.02989	2.5
219.06613	1.3
220.03854	0.9
221.04546	6.3
223.06108	1.9
229.08784	2.2
233.04517	1.7
235.06125	2.4
239.05658	14.7
251.05582	6.9
263.05606	3.1
269.06720	3.1
273.07745	4.7
281.06677	2.0
285.07776	2.0
285.68604	1.0
287.09238	0.9
315.08856	18.6
316.09171	1.5
327.08859	7.8
329.10223	1.2
339.08737	1.0
341.10284	2.3
345.09937	7.5
357.09869	100.0
358.10217	9.5
369.09857	3.1
387.10938	72.1
388.11176	6.9
399.10956	3.7
417.12012	21.4
418.12094	2.1
429.11932	1.3
441.11905	1.5
459.13062	8.8
477.14130	24.3
478.14383	2.9
489.14240	6.9
507.15048	3.5
579.17529	1.5
597.18488	15.6
598.19098	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.29
Annotation	Neobonaspectin B
Peak:m/z	Relative Intensity
58.09272	0.5
58.11095	0.4
59.01248	0.5
68.95718	0.4
69.68357	0.4
69.97976	1.0
69.98373	1.9
76.29653	0.5
78.95793	66.3
96.96869	11.1
98.19685	0.5
150.97975	1.3
152.99527	84.4
153.99876	1.4
171.00606	1.9
213.63222	0.4
223.00121	8.0
241.01221	19.2
242.01570	0.9
257.48718	0.4
259.02347	1.3
279.23346	51.1
280.23688	6.0
315.04944	13.4
333.05927	0.6
381.11972	0.6
504.40231	0.5
531.62622	0.4
566.55963	0.5
595.29010	100.0
596.29346	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	595.2903
Annotation	Neobonaspectin B
Peak:m/z	Relative Intensity
59.01267	0.7
62.96275	0.4
70.70602	0.8
71.33528	0.4
78.95794	64.5
79.76962	0.3
96.96862	12.9
105.07306	0.3
134.98407	0.7
150.97986	0.7
152.99524	57.6
153.84421	0.3
153.99863	0.7
169.50677	0.3
171.00633	0.8
211.07559	0.5
223.00192	2.2
237.74522	0.3
241.01208	28.8
242.01573	1.4
259.02365	0.5
267.89413	0.4
279.23349	62.1
280.23654	5.9
315.04929	8.5
333.05850	0.5
415.22610	5.2
416.23343	0.6
433.23688	2.0
516.21753	0.4
595.29016	100.0
596.29315	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	595.1683
Annotation	5,7,2',5'-Tetrahydroxyflavanone 7-O-rutinoside
Peak:m/z	Relative Intensity
57.03330	1.1
58.00459	0.2
59.01001	0.2
59.01264	3.6
63.01987	0.3
63.02281	4.2
65.00206	5.4
69.03335	0.3
71.00894	0.3
71.01261	2.9
71.31461	0.3
72.99190	0.5
73.02830	1.9
81.03336	0.4
83.00814	0.3
83.01276	3.9
85.02839	1.8
85.99951	0.3
87.00764	1.2
87.04388	0.3
89.02339	1.3
93.03323	0.6
95.01258	0.6
99.04402	0.2
101.02335	1.7
103.03895	0.4
103.13609	0.2
107.01296	8.6
107.04877	0.2
111.00768	0.4
112.20026	0.2
113.02355	2.1
115.03913	0.5
116.92741	0.6
117.03366	3.2
119.03381	0.6
119.04945	0.4
121.02830	0.7
123.00790	0.3
123.04429	0.2
124.01582	1.5
125.02361	6.3
131.03419	1.2
133.02852	0.6
134.03642	0.4
135.04446	1.9
137.02377	0.5
139.00272	0.5
141.01816	0.3
141.12186	0.2
143.03406	1.2
145.02882	0.2
149.02405	0.9
151.00308	18.1
152.01099	9.2
153.01730	0.2
155.04927	0.4
157.06497	0.3
158.03618	0.3
159.04420	0.6
161.02344	0.7
161.04480	0.5
163.06024	0.7
165.01849	0.2
169.01390	2.2
169.06525	1.1
172.05219	0.2
173.06003	0.7
175.03906	0.4
177.05511	1.0
178.99829	6.4
179.03349	0.5
180.00183	0.3
180.05713	0.3
181.06544	0.7
182.03728	0.2
183.04428	0.4
193.01431	0.3
193.04938	0.3
196.05206	0.5
197.06064	1.2
199.04007	0.5
201.05516	0.7
203.03488	0.4
205.07176	0.8
213.05724	0.4
215.07159	0.4
224.04765	0.3
225.05579	3.8
226.05907	0.2
227.03444	0.5
241.05128	0.4
243.03012	0.4
243.06682	0.6
249.07936	0.2
255.03076	0.9
259.06177	4.8
260.06445	0.4
262.82666	0.2
268.03918	0.4
269.04605	100.0
270.04944	7.9
270.07944	0.2
271.02469	1.7
287.05615	2.1
288.05963	0.2
300.02805	2.9
301.03516	1.4
347.17139	0.4
373.12955	0.3
433.15140	0.9
491.21130	0.3
509.22565	0.7
551.23639	3.2
552.23920	0.4
595.16870	36.8
596.17157	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2047
Annotation	Staunoside C
Peak:m/z	Relative Intensity
55.01752	0.8
57.03330	1.4
58.00480	1.5
59.01265	41.6
61.98719	1.1
67.01769	0.7
67.59780	0.6
69.50571	2.0
69.50994	3.3
71.01270	20.6
72.99201	4.4
73.02833	1.9
75.00768	15.3
83.01284	1.5
85.02853	4.8
87.00776	2.1
88.98707	0.8
89.02335	15.3
95.01278	1.8
98.20480	1.3
99.00806	0.9
101.02351	12.4
109.02910	0.7
111.00804	0.9
113.02354	7.4
116.92708	0.7
117.03325	0.9
119.03420	7.5
119.04906	1.5
121.02889	1.2
121.60681	0.7
123.00809	1.5
124.54428	0.7
125.02398	1.2
125.13360	0.6
131.03410	1.2
131.04967	1.8
133.02895	1.7
135.04475	1.7
136.01631	0.8
136.98737	0.6
137.02388	2.1
138.03181	2.2
139.00293	3.3
139.03893	1.0
143.03438	1.4
145.02902	1.1
146.03641	0.7
147.04500	1.6
149.02423	0.8
149.04550	1.2
151.00307	5.4
151.03954	1.6
153.01859	5.7
153.05444	1.0
158.03677	2.8
159.04454	3.5
160.05266	5.5
161.02432	3.4
162.03099	0.7
166.02676	11.4
167.03281	1.4
173.02417	1.1
173.06039	4.9
174.03264	2.0
174.06590	0.8
175.03986	7.0
175.07562	4.4
176.04562	0.7
177.05534	0.9
178.02704	1.2
179.03490	1.2
179.05591	1.1
181.05028	27.2
182.05304	1.5
187.04054	1.6
188.04781	1.5
189.01906	1.4
189.05540	1.6
190.06317	5.5
194.05850	0.8
201.01903	1.5
201.05528	1.3
202.02699	2.9
202.06313	1.4
203.03488	11.1
203.07074	1.1
204.04189	2.5
204.07594	0.7
205.08656	5.7
216.04353	0.9
217.05075	5.5
218.05879	8.9
219.06557	1.8
231.06737	1.0
232.07298	0.9
233.08206	13.4
241.04955	0.8
253.05025	1.2
255.02956	0.9
264.04279	0.7
269.04578	1.8
271.02539	1.0
285.03973	1.3
286.04385	1.3
287.04990	0.7
295.06085	1.0
309.04236	0.9
309.07932	0.8
316.02344	0.8
323.05692	2.1
324.06577	1.5
325.03503	1.1
339.08829	2.7
340.05899	0.9
341.10251	1.0
353.10339	1.0
354.10928	1.3
355.08182	6.2
356.08746	1.4
370.10669	3.9
371.10880	1.4
373.13004	2.3
373.26163	2.8
385.13007	36.8
386.13245	4.4
397.13037	3.4
415.14151	11.7
416.14603	1.0
433.15097	1.9
441.43558	0.8
461.16660	0.8
578.15625	0.7
580.17010	0.8
595.20581	100.0
596.20923	16.2
617.42224	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1685
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03337	12.4
59.01259	1.5
63.02281	1.1
65.00207	4.4
70.05381	1.9
70.05797	1.0
71.01270	1.6
73.02837	0.9
74.60225	0.5
81.03343	3.1
83.01273	9.2
85.02827	0.7
87.00764	0.8
93.03348	3.1
97.02853	1.3
98.20567	0.7
101.02334	0.8
105.03346	0.6
107.01295	7.6
107.04933	0.7
109.02866	1.6
111.00787	0.9
117.03389	1.9
121.02856	1.1
123.04459	1.8
124.01614	1.7
125.02367	100.0
126.02703	2.9
126.14363	0.6
133.02904	3.6
137.02364	0.9
139.03961	1.4
147.04460	0.6
149.02359	6.2
151.00311	32.2
152.01128	6.3
153.01881	12.2
157.06583	1.3
158.03687	1.0
159.04420	1.6
161.02429	0.6
162.99133	0.5
163.00305	3.2
165.01891	2.1
167.03453	1.3
169.01396	1.1
169.06561	2.9
172.05234	2.5
173.06021	6.8
175.03955	1.4
176.01067	2.8
177.01907	1.2
177.05536	2.5
178.99832	16.0
179.03401	2.8
180.00311	0.5
180.05775	0.7
181.06496	1.1
183.04437	0.6
187.07513	0.6
197.06076	2.8
198.06395	0.6
199.03978	1.8
199.07613	1.5
200.04724	1.0
201.05556	4.1
213.05574	1.3
214.06216	0.6
215.07133	6.4
218.75427	0.6
225.05516	5.3
241.05103	4.6
243.06590	6.5
259.06161	83.6
260.06470	7.1
268.03964	0.8
269.04614	89.4
270.04965	6.6
283.06250	0.8
287.05688	25.6
288.06070	3.1
311.05759	1.1
487.10922	0.9
567.17249	1.5
577.15497	2.8
595.16797	99.3
596.17188	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	595.1687
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74446	0.4
57.03367	0.4
59.01276	1.2
65.00211	0.6
68.99716	0.7
69.03336	0.5
69.82926	2.8
71.01274	1.8
73.02835	0.6
79.01814	0.9
81.03356	0.7
83.01288	2.0
85.02857	1.0
92.99139	0.5
93.03352	4.2
95.01295	0.9
95.04899	0.5
97.02854	2.4
98.19927	0.6
99.00826	0.6
101.02335	1.1
107.01300	3.2
107.04943	0.7
109.02879	1.6
111.04482	1.1
113.02395	1.2
113.35358	0.4
117.03393	0.7
119.04951	20.6
120.05297	0.6
121.02875	2.0
123.00808	1.2
123.04456	1.7
125.02374	5.2
135.04465	1.5
137.02400	2.3
139.03931	3.2
143.04976	3.4
145.02893	4.0
147.04478	1.5
148.01628	0.4
149.02393	2.8
149.72198	0.5
150.03157	0.7
151.00291	2.4
151.03960	1.3
154.83931	0.5
161.02376	0.8
161.06059	1.4
163.00323	1.7
163.03972	2.2
165.01932	2.9
167.03438	5.3
171.04494	0.6
175.04013	1.3
177.01886	2.5
177.05519	0.9
178.02545	0.6
179.03482	2.0
184.83954	0.4
185.06044	1.0
187.03999	3.9
189.01961	0.5
191.03481	1.6
191.05566	0.5
193.01411	6.6
197.04588	2.1
199.07632	1.2
203.03523	0.8
205.01466	3.9
205.05096	0.6
206.02246	0.8
207.02942	3.1
209.04520	3.0
210.01889	0.5
219.03001	2.4
220.03795	0.6
221.04573	1.1
223.02512	1.6
227.07184	1.9
231.03096	0.6
233.04694	0.8
235.02505	8.0
239.05609	1.4
241.08757	0.6
247.02594	1.5
249.04121	1.5
261.04214	0.9
265.03604	3.8
265.08649	0.8
269.04590	1.1
269.08438	0.7
271.06180	2.3
283.06192	0.9
283.09464	0.6
285.07675	0.6
287.05582	0.5
291.05200	0.7
293.08276	0.6
295.04709	0.7
312.06436	0.5
313.07294	12.3
314.07608	1.5
325.07281	5.0
326.07916	0.6
339.08798	1.4
343.08337	4.9
353.06671	0.7
355.08316	69.8
356.08585	7.0
367.08383	3.4
369.09882	0.9
385.09384	53.3
386.09674	5.9
397.09335	2.8
415.10422	16.9
416.10690	2.1
427.10471	1.7
432.15939	0.5
433.16107	0.7
439.10492	0.7
445.11304	0.7
457.11493	7.1
458.11761	0.7
469.11600	0.6
475.12598	36.7
476.12698	5.1
487.12643	4.6
488.12866	0.9
505.13681	9.9
506.13876	1.6
577.15625	3.6
595.16809	100.0
596.17181	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	595.132
Annotation	Myricetin 3-xylosyl-(1->3)-rhamnoside
Peak:m/z	Relative Intensity
59.01273	1.6
63.02293	0.7
65.00216	2.3
68.99709	0.8
82.92469	0.5
83.01292	0.8
85.29681	0.5
88.64010	0.6
88.98713	2.1
91.01782	0.6
95.01295	1.5
99.00833	0.8
101.02377	0.9
107.01305	2.3
108.02095	0.9
109.02869	1.7
110.00027	6.7
111.00820	3.0
117.03423	0.8
123.00802	3.2
124.01566	3.4
133.02898	1.3
135.00792	0.8
135.04469	1.5
136.01619	0.9
136.98756	1.6
137.99503	2.5
139.00323	6.7
139.03877	0.7
148.01576	0.7
151.00310	10.3
152.01085	5.8
153.01784	0.8
159.04451	1.8
161.02382	2.7
163.00310	2.7
164.01115	4.3
164.98277	0.8
165.01785	0.7
165.99039	8.0
166.99884	3.3
171.04475	1.8
172.05342	0.8
173.02388	0.5
174.03157	0.8
175.04044	1.2
176.01126	0.8
177.01955	1.1
178.99821	14.5
179.01273	0.5
180.00226	0.8
186.03192	1.4
187.03990	2.6
188.04747	0.8
189.01892	1.9
190.02460	0.7
193.01422	1.2
193.11650	0.5
193.98540	0.8
194.99318	1.5
198.03177	2.0
199.03928	4.2
200.04462	0.6
201.01906	2.8
201.74123	0.6
202.02719	0.8
203.03516	3.1
206.99426	1.0
207.99985	0.9
211.04004	1.3
213.01996	0.8
214.02711	2.3
215.03506	3.9
216.04195	1.8
218.01978	0.8
219.02867	0.9
226.02780	1.6
227.03474	6.8
228.03885	1.3
229.01465	1.6
230.02116	1.0
231.02972	3.0
232.03807	1.3
241.01422	0.8
242.02208	4.3
243.03041	8.6
244.03627	2.4
254.02303	0.7
255.03061	7.5
256.03442	0.7
257.01053	0.8
259.02484	5.1
260.03223	1.8
269.01053	0.9
269.04709	0.7
270.01743	6.8
271.02533	43.5
272.03043	8.7
273.03934	1.8
280.43927	0.6
281.01260	0.7
285.04019	1.1
286.04276	0.8
287.02039	14.7
288.02686	7.9
289.03214	1.6
298.01224	2.9
299.02039	46.2
300.02417	6.5
301.03662	1.3
315.01456	2.7
316.02298	80.4
317.02835	13.8
413.05414	0.7
431.06049	1.1
461.16870	1.6
487.11185	1.0
497.94281	0.6
505.10007	0.9
577.12390	3.9
580.96332	0.7
595.13129	100.0
596.13483	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	593.3863
Annotation	Hericenone E
Peak:m/z	Relative Intensity
50.22074	0.9
51.83122	1.0
58.18163	1.0
59.01266	44.4
71.30508	2.2
78.95786	1.8
88.12350	1.3
93.03359	23.8
108.88343	1.1
119.04949	2.1
121.02873	2.0
124.47868	1.1
124.61067	1.0
145.02895	3.6
151.11224	3.1
153.12772	2.3
171.04454	4.0
171.13959	1.4
185.06056	4.0
195.04240	1.0
197.06004	5.2
211.04074	2.2
211.07635	11.4
221.31554	1.2
249.14883	1.1
257.15622	1.5
268.14658	1.4
270.16275	2.5
289.21701	2.5
296.14246	4.4
298.15945	1.4
301.21808	3.3
329.04868	1.3
333.20792	9.4
338.58264	1.4
345.20822	3.4
393.24503	4.5
395.26120	4.9
411.25504	30.8
412.25943	3.2
413.27057	1.5
421.23877	5.2
439.25003	37.0
440.25000	5.4
477.53024	1.2
575.37201	1.1
593.38635	100.0
594.39032	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	595.1318
Annotation	Myricetin 3-xylosyl-(1->3)-rhamnoside
Peak:m/z	Relative Intensity
54.50670	1.4
59.01246	6.7
59.53827	1.6
60.96989	1.4
61.98709	1.8
62.17251	1.5
63.02288	4.0
65.00220	11.4
69.24157	3.2
69.24553	16.3
71.01239	2.9
72.99190	3.5
73.02843	1.9
82.13469	1.6
83.01270	7.6
84.93638	1.5
85.02834	2.5
89.02298	1.6
93.03343	3.8
94.52064	1.5
95.01276	5.9
101.02281	2.3
107.01286	12.7
108.02110	2.9
109.99989	3.0
111.00796	13.6
116.75449	1.5
117.03357	7.7
119.05001	1.6
123.00791	5.4
123.04454	2.0
124.01524	4.1
125.02389	3.6
132.02075	3.0
133.02861	5.7
135.00810	3.4
135.04405	1.8
136.98775	2.3
137.02374	5.6
139.00298	20.2
143.04956	5.2
145.02873	9.3
149.02397	2.0
149.06023	17.7
149.99458	4.0
151.00307	56.9
152.00949	3.7
152.98216	1.7
155.04950	5.0
157.02921	2.7
159.04457	11.7
161.02348	5.4
162.02800	1.7
163.00354	3.9
164.01102	6.9
164.98227	3.6
165.01894	3.3
165.99008	5.5
166.99812	3.8
168.00601	3.2
169.01338	4.2
171.04472	8.2
173.02364	3.2
174.03123	1.9
175.04082	2.3
177.99014	7.6
178.99826	52.5
180.00121	1.8
182.03662	2.0
183.04422	6.1
185.02415	2.3
186.03186	2.3
187.03954	9.5
188.04718	6.3
189.05472	2.2
191.43507	1.7
192.00534	3.2
193.01393	2.8
194.99345	2.3
198.03201	2.1
199.03943	8.7
201.01907	2.1
201.05602	2.3
203.03453	6.5
206.99348	2.1
208.00050	2.4
209.00891	2.0
211.04028	3.2
213.01857	2.7
214.02597	4.3
215.03487	11.4
216.04240	13.0
217.05028	3.6
226.02628	3.3
227.03523	14.2
228.03780	2.4
231.03009	7.2
232.03716	3.8
242.02161	4.3
243.02986	17.6
244.03471	4.0
245.00996	2.3
245.04504	3.0
255.03032	29.9
256.03482	3.6
257.04596	1.7
259.02484	18.3
260.03174	3.1
270.01740	11.3
271.02521	70.7
271.05557	3.5
272.03125	16.1
273.04034	5.1
283.02542	10.6
284.03186	9.3
285.04025	9.6
287.02072	20.9
288.02652	9.1
289.03568	2.6
298.01157	4.5
299.02011	86.0
300.02460	12.1
301.03531	4.4
315.01465	2.2
316.02310	65.3
317.02957	21.1
404.07596	1.6
421.11047	1.9
451.12695	2.6
475.11096	2.2
483.11526	3.4
495.15128	10.6
549.11932	2.6
551.14435	4.5
552.99023	2.0
567.13422	5.8
577.11908	12.0
578.12543	2.5
595.13165	100.0
596.13470	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	593.2747
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24288	0.6
56.37116	0.5
59.01271	0.7
70.00842	1.8
70.01235	1.3
71.17261	0.6
78.95792	66.6
96.96864	13.6
96.97489	0.8
99.07379	0.6
150.77303	0.6
150.97951	0.8
152.99522	65.4
155.09113	0.5
161.04533	0.6
171.00618	0.9
223.00117	2.0
240.98763	1.4
241.01228	27.4
242.01526	1.0
259.02380	0.7
277.21777	47.7
278.22034	3.0
315.04956	8.7
333.05698	0.6
391.74142	0.5
413.21075	5.4
414.21469	0.8
431.22144	2.8
593.27423	100.0
594.27740	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	593.3559
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19729	1.4
57.03320	2.9
57.60196	1.4
59.01265	100.0
61.98723	12.3
69.39252	7.3
69.39682	6.6
71.01272	22.7
73.02837	5.9
83.01271	4.4
85.02855	10.5
87.00748	3.7
89.02326	6.7
95.01285	2.1
97.02832	1.9
99.00778	3.2
101.02356	15.8
109.47476	1.5
113.02346	14.4
125.02395	1.9
133.02846	3.5
135.04424	3.5
143.03419	3.4
149.05946	2.0
161.02408	10.3
161.04488	3.7
179.03391	2.4
227.03476	8.6
229.05180	2.8
255.03033	16.0
257.04501	1.6
284.03262	17.2
285.04126	18.9
345.30301	7.4
371.27954	2.9
392.12177	2.9
489.27448	2.4
489.34402	42.0
490.34747	7.0
507.35440	15.8
508.35913	1.8
515.17352	1.9
516.61725	1.7
533.33594	12.8
534.33948	3.5
549.36395	4.3
593.15454	21.8
593.25159	3.8
593.35791	2.5
594.15674	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	593.356
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	0.9
57.03339	2.5
59.01265	100.0
60.01604	1.4
61.98722	7.3
71.01272	17.3
71.24638	1.6
72.99181	1.5
73.02853	4.3
83.01276	3.4
85.02841	9.9
87.00758	2.1
88.98706	3.5
89.02333	3.1
93.03346	0.8
95.01292	2.5
99.00780	2.9
101.02348	7.7
102.02684	0.9
109.20237	0.9
112.16293	0.8
113.02352	9.6
115.03920	1.3
115.07611	0.9
115.35891	0.7
124.01591	0.9
125.02357	2.0
129.60123	0.8
133.02856	1.0
135.04451	2.4
143.03412	3.4
161.02405	3.9
161.04453	4.4
175.03929	1.9
176.04608	1.0
179.03511	1.6
179.05539	1.1
227.03491	4.5
229.05061	1.3
251.23863	1.0
255.02980	7.1
256.03571	1.1
284.03384	7.9
285.04059	10.5
286.04419	1.0
299.25977	1.0
345.30182	8.3
346.30472	1.6
470.13428	1.1
489.34433	45.3
490.34882	6.7
503.17331	1.8
507.35422	19.3
508.35660	3.2
515.17090	3.0
516.17621	1.1
533.33478	9.0
534.33795	1.6
549.36572	3.3
583.72998	1.0
593.15289	11.1
593.24841	1.5
594.15277	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	593.3559
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53624	0.6
57.03333	2.0
59.01266	100.0
61.98715	6.4
71.01272	10.5
73.02821	3.7
82.18858	0.6
83.01278	3.5
85.02849	8.1
86.28020	0.6
87.00774	0.7
88.98715	1.2
89.02340	1.1
95.01276	1.4
99.00812	1.8
101.02348	7.9
107.01302	0.9
109.57449	0.7
113.02352	8.4
125.02364	2.0
133.02901	1.2
135.04443	2.3
143.03476	3.3
145.02863	1.1
149.06071	1.7
151.00342	3.5
157.12276	1.1
161.02425	3.6
161.04526	2.1
163.00317	0.8
163.04007	1.3
178.99788	2.3
179.03461	0.9
201.01913	0.6
203.03484	0.7
226.02724	3.1
227.03458	4.4
228.03899	0.8
229.70180	0.8
243.03009	10.1
244.03471	0.9
254.02197	3.9
255.03008	9.0
256.03525	1.0
271.02530	41.4
272.03021	4.2
284.03510	4.9
285.04163	5.4
297.24463	1.1
299.02054	1.1
299.26065	3.2
300.02814	31.0
301.03491	9.9
302.04135	1.1
345.30121	7.7
346.30316	0.8
392.62448	0.9
449.27594	0.9
488.68375	1.2
489.34433	58.9
490.34702	9.5
507.35559	11.8
508.35822	1.8
533.33270	1.1
549.36462	3.5
550.36633	1.1
592.75385	1.1
593.13251	48.5
594.13403	11.4
594.32172	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87724	1.1
56.13683	1.1
56.18230	1.0
59.01251	5.0
61.98720	8.7
69.53500	8.7
71.01270	6.1
73.02836	1.4
78.95782	2.4
78.98467	5.6
79.95629	22.5
80.96409	56.3
85.02831	2.0
87.00758	3.1
94.97984	13.9
96.95903	3.9
97.02857	1.4
98.56417	1.2
101.02322	2.8
104.13427	1.3
106.97994	2.6
107.01231	1.2
116.73774	1.0
119.04932	2.6
122.97471	3.6
125.02354	2.5
127.03890	1.3
134.97491	3.8
136.99078	1.2
145.02910	2.1
148.99063	4.8
152.98572	7.3
164.98560	9.4
179.03600	1.1
182.99657	2.4
183.13925	1.6
206.99652	3.7
225.00760	18.1
226.00757	1.4
227.03442	2.1
243.01871	1.7
255.02962	4.5
284.03256	7.1
285.04178	6.0
299.04404	3.4
455.16217	1.4
520.30341	2.4
574.48352	1.3
593.15558	10.2
593.26392	100.0
594.16687	2.3
594.26630	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	593.2746
Annotation	Unknow
Peak:m/z	Relative Intensity
55.76730	0.4
59.01253	0.7
70.46037	1.3
78.95794	59.1
84.56062	0.5
96.96860	12.2
101.49998	0.4
114.28146	0.4
117.60105	0.5
121.03039	0.4
140.81764	0.5
150.97946	0.7
152.99525	85.7
153.99873	1.2
169.83337	0.5
171.00618	3.0
199.13806	0.4
223.00137	9.5
223.35941	0.5
241.01208	22.0
242.01614	0.6
259.02240	1.3
262.57678	0.5
277.21780	38.1
278.22141	4.3
280.60443	0.5
315.01282	0.9
315.04926	15.5
333.06061	1.1
338.61356	0.5
593.27435	100.0
594.27753	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	593.265
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54402	0.3
52.16503	0.3
56.89098	0.3
59.01262	1.1
61.98706	0.7
62.15479	0.3
63.96128	0.9
67.64038	0.3
69.03344	0.5
69.68050	1.2
69.68478	1.0
71.01272	5.1
73.02839	1.5
78.95788	0.7
78.98483	4.5
79.95625	27.6
80.96412	47.6
81.03348	0.4
83.01282	0.4
85.02846	1.4
87.00761	1.8
94.97990	12.0
96.95937	1.6
96.96853	0.6
97.02863	1.0
101.02351	2.8
102.50947	0.3
106.97998	2.9
107.01272	0.3
122.97520	3.6
125.02361	2.7
127.03926	0.6
134.97523	3.9
135.36945	0.3
136.99062	0.8
148.99075	4.3
152.98576	6.1
152.99715	0.6
164.98587	9.4
167.00188	0.4
179.00174	0.6
179.03458	0.4
182.99620	2.0
188.98589	0.6
197.01224	0.5
206.99667	3.1
225.00757	15.3
226.00960	0.7
227.03488	0.5
229.14500	0.3
241.00206	1.1
243.01909	1.9
244.02472	0.3
255.03044	1.6
272.71536	0.4
284.03345	1.8
285.04105	1.4
293.21292	0.8
299.04483	3.5
315.03976	0.5
317.05652	0.5
321.77719	0.3
341.05624	0.4
371.06622	1.2
385.08423	1.0
399.09586	1.8
413.11343	1.0
427.12823	0.6
441.14450	0.6
449.08438	0.4
455.16040	2.0
481.17706	0.6
495.19070	1.8
523.18628	1.1
524.19385	0.9
593.26483	100.0
594.26855	14.5
622.06543	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2649
Annotation	Isochondrodendrine
Peak:m/z	Relative Intensity
57.03328	0.3
59.01265	1.6
61.98710	2.8
62.98415	0.3
63.96129	0.7
69.03346	0.7
69.76083	2.0
69.92181	0.3
71.01273	6.9
73.02828	1.8
78.95793	0.5
78.98479	5.5
79.95629	9.4
79.96095	0.6
80.96409	66.1
81.03355	0.7
85.02839	2.9
86.20798	0.3
87.00778	2.7
94.97987	14.7
96.95927	2.0
97.02852	1.4
99.00783	0.6
99.04427	0.3
100.78152	0.3
101.02336	2.6
106.97991	3.5
113.02319	0.5
113.07549	0.3
119.04928	0.3
120.04049	0.3
122.97493	5.1
125.02373	3.0
127.03952	0.5
134.97507	4.1
136.99088	1.4
145.02864	0.8
148.99075	6.5
149.00250	0.4
152.98564	7.9
163.11131	0.4
164.98584	11.7
182.99672	2.6
185.97832	0.3
188.98654	0.3
199.13368	0.5
206.99638	3.0
225.00740	18.4
226.01048	0.5
227.03412	0.6
235.17070	0.6
243.01924	1.8
255.03052	1.1
275.20416	0.5
277.00229	0.6
284.03342	1.0
285.04004	1.5
293.21252	0.7
295.22830	0.6
299.04605	2.5
395.27911	0.4
396.28366	1.0
429.12296	1.6
511.12857	0.4
520.30487	1.0
593.26447	100.0
594.26801	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	593.2104
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01772	1.8
57.03334	2.9
58.00478	1.8
59.01267	63.3
61.58953	1.0
69.03326	1.3
70.50085	2.0
70.50512	3.5
71.01272	58.9
72.01614	1.4
72.99197	3.7
73.02840	10.0
83.01274	3.9
83.33392	1.1
85.02846	26.3
87.00764	1.2
89.02341	63.2
95.01299	8.2
99.00783	38.3
101.02351	28.1
108.25748	1.1
111.95585	1.0
113.02361	68.6
114.02711	2.6
119.03446	15.9
119.04927	21.3
125.02455	2.5
131.03445	6.0
137.06027	14.3
143.03427	4.3
149.04527	20.5
160.61914	1.2
161.04478	10.3
179.05638	2.8
179.08138	1.2
191.05550	11.1
216.85464	1.0
233.06461	2.6
233.08452	2.3
281.10306	1.3
293.08798	3.3
299.11465	7.1
354.45975	1.2
413.14792	1.8
431.15698	58.8
432.16110	5.1
438.83090	1.1
461.16782	25.7
462.17212	3.4
593.21027	100.0
594.21368	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	593.2103
Annotation	Zizybeoside II
Peak:m/z	Relative Intensity
55.01764	1.2
57.03322	1.6
58.00470	1.2
59.01264	36.1
59.89983	0.5
67.08900	0.5
70.51121	2.2
71.01272	33.4
72.01643	0.5
72.04669	0.5
72.99176	1.5
73.02828	5.2
73.33067	0.5
75.19254	0.5
83.01271	2.2
85.02843	16.2
87.00773	2.3
89.02338	37.1
95.01291	4.5
99.00783	24.6
101.02349	18.0
113.02357	40.0
114.02686	0.9
119.03450	9.8
119.04938	12.8
125.02390	0.7
128.35686	0.6
131.03413	4.2
137.06033	8.5
143.03452	2.6
149.04494	15.5
161.04500	8.1
179.05540	2.2
191.05573	6.6
197.80922	0.6
207.68538	0.7
233.06477	3.3
263.09296	1.0
270.79877	0.6
293.08908	1.6
294.93848	0.6
299.11459	5.7
431.15662	50.6
432.16101	5.5
461.16751	27.3
461.23349	1.0
462.17099	2.6
593.21002	100.0
594.21399	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	593.2102
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	2.9
57.03335	5.0
58.00467	4.3
59.01265	100.0
60.01602	1.0
64.74211	0.9
67.70439	1.1
69.03341	1.1
69.57453	4.5
69.57872	3.1
71.01270	77.7
72.99197	3.7
73.02821	6.5
83.01277	6.4
85.02843	33.9
87.00767	4.5
89.02337	57.8
93.03338	1.0
94.03837	1.2
95.01297	9.7
97.02839	1.9
97.34672	1.2
98.19772	1.3
99.00781	3.3
101.01698	2.0
101.02346	32.4
106.04119	1.7
108.02087	1.1
113.02357	53.8
114.02657	1.6
119.03429	17.6
119.04939	28.8
120.05327	1.1
125.02383	1.1
131.03436	6.2
133.85245	1.0
137.06018	34.0
143.03389	4.2
149.04498	6.1
161.04523	7.9
161.25993	1.1
179.05515	5.2
191.05600	5.5
233.06660	4.6
233.08600	1.5
263.09201	1.4
281.10410	1.7
299.11420	17.0
300.11707	1.2
407.03625	1.0
431.15668	47.4
432.16116	6.3
441.55072	1.1
461.16739	63.4
462.17279	7.2
469.11609	1.2
593.21014	67.9
594.21350	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	593.1892
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	0.3
57.03319	0.4
58.00468	0.4
59.01263	4.9
60.99156	0.5
61.98693	0.5
65.00202	0.3
71.00903	0.4
71.01270	5.6
71.58113	0.3
72.99181	0.9
73.02829	2.1
77.03870	0.3
83.01288	1.0
85.02838	2.9
87.00776	0.6
88.98695	2.7
89.02335	1.6
93.03349	0.4
95.01287	0.5
97.02853	0.3
99.00776	1.0
101.02349	4.4
105.03334	0.5
107.01301	0.4
107.04919	0.4
109.02860	0.6
111.00706	0.2
113.02343	2.5
117.03390	2.6
119.03448	0.5
119.04916	1.1
121.02865	0.8
123.04421	0.8
125.02379	0.4
126.52303	0.2
130.07834	0.2
131.03423	0.7
132.02124	2.2
133.02882	34.9
134.03589	1.5
135.00896	0.2
135.04453	15.0
136.04805	0.7
137.02374	1.4
143.03471	0.3
145.02895	6.5
146.03246	0.6
147.04462	0.2
148.01672	0.2
149.02367	0.5
149.06009	0.4
151.00352	0.8
153.05496	0.4
159.04492	0.4
160.01620	1.6
161.02391	100.0
162.02731	5.0
163.00352	0.4
163.03957	0.9
165.01895	3.0
165.05569	0.3
167.03598	0.2
167.05142	0.2
171.04341	0.3
175.04007	2.3
177.01865	0.4
177.05544	0.4
179.03459	8.0
180.04210	2.0
181.04852	0.4
185.06067	0.6
187.03996	0.9
195.04909	0.4
195.06604	2.2
203.03584	0.4
205.05122	0.4
210.05328	0.3
211.03970	0.3
213.05545	0.3
221.04533	0.6
224.06796	0.2
225.07703	1.2
227.03517	4.8
228.04007	0.5
229.05077	2.1
230.05566	0.3
239.03523	0.3
241.05127	0.4
243.03073	1.1
255.03017	9.9
256.03552	1.4
257.04672	1.3
269.04779	0.4
269.10452	0.4
271.02530	4.4
272.02963	0.5
281.06982	0.3
284.03323	9.4
285.04099	21.1
286.04407	1.8
299.02112	0.3
300.02798	8.8
301.03445	1.2
314.04581	0.3
315.11057	0.5
323.07837	0.6
343.25616	0.2
392.12250	0.5
429.13989	0.3
447.15518	0.8
461.15332	0.8
480.14767	2.2
480.64935	0.5
487.15488	0.4
507.15518	0.3
557.22845	0.9
569.17798	0.7
569.68481	0.3
575.14020	1.8
576.14960	0.4
593.19110	58.8
594.19415	10.1
609.30267	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1526
Annotation	Datiscin
Peak:m/z	Relative Intensity
59.01239	0.3
63.02277	0.4
65.00216	0.3
71.39385	0.3
80.09913	0.2
92.10016	0.2
93.37443	0.2
107.01292	1.1
132.02101	0.6
135.00822	0.5
135.04462	0.2
149.45610	0.2
151.00330	1.9
163.00261	0.6
164.01103	0.5
169.01329	0.3
178.99861	1.2
183.04440	0.5
185.02470	0.3
185.06024	0.4
187.03986	0.4
199.04060	0.4
199.73112	0.2
200.04802	0.2
211.03967	1.2
212.04419	0.3
219.83734	0.2
227.03499	29.4
228.03888	2.1
229.05125	1.3
239.03510	0.7
241.04980	0.3
255.03024	59.4
256.03555	8.1
257.04581	1.0
283.02573	1.3
284.03317	100.0
285.03900	18.2
286.04462	0.8
307.61035	0.2
309.04059	0.2
327.05231	0.5
429.08310	1.4
447.09937	0.4
473.11093	0.4
593.15240	60.9
594.15576	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	593.1528
Annotation	Isorhamnetin 3-alpha-L-arabinopyranosyl-(1->2)-rhamnoside
Peak:m/z	Relative Intensity
59.01271	0.7
63.02312	0.6
65.00221	0.7
69.28564	1.9
69.28986	2.7
77.33821	0.5
83.01285	0.5
96.32121	0.4
98.70906	0.4
107.01323	1.9
117.03403	0.6
131.07716	0.5
145.02887	2.8
146.03221	0.6
147.00920	0.7
151.00316	5.1
152.01048	1.0
155.05067	0.6
167.04990	0.7
171.04556	0.6
175.04010	0.4
178.99786	2.4
183.04549	2.1
185.02469	0.6
187.03987	1.2
199.04005	6.6
200.04184	0.4
201.01955	1.6
203.03508	0.9
211.03972	0.7
213.01781	0.5
214.02654	0.5
215.03517	3.7
226.02682	0.7
227.03520	7.4
241.01506	0.5
242.02271	4.5
243.03027	37.4
244.03395	3.2
254.02159	0.5
255.03049	13.2
256.03470	1.5
257.04633	7.0
258.04935	0.7
270.01779	5.9
271.02548	48.0
272.02954	4.4
285.04120	14.1
286.04831	5.4
287.05484	0.5
299.02042	94.7
300.02588	17.5
313.03564	1.4
314.04398	94.7
315.04999	23.8
316.05460	1.4
429.08078	0.6
574.93976	0.4
593.15228	100.0
594.15576	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	593.1527
Annotation	Unknow
Peak:m/z	Relative Intensity
60.89228	0.5
63.02276	1.3
65.00220	1.2
71.44905	0.8
71.45248	0.9
83.01277	1.0
91.01810	0.7
93.03356	2.5
107.01308	4.5
109.02866	1.7
117.03368	1.2
132.02132	1.3
133.05272	0.5
135.00803	3.0
135.04471	0.5
143.04948	1.4
145.06534	0.7
151.00266	2.7
153.01917	0.9
155.05000	1.0
157.06526	1.3
159.04463	1.9
161.02383	0.6
163.00342	3.2
164.01071	0.9
165.01924	1.2
167.04958	1.4
169.06538	2.1
171.04501	1.2
183.04504	1.6
185.06046	4.3
187.03957	4.6
189.05501	1.9
195.04521	1.2
196.05341	0.9
197.06009	1.6
198.25919	0.5
199.04071	1.4
201.05573	1.5
211.03984	4.3
212.04582	1.0
213.05553	2.9
214.72783	0.6
215.03464	0.7
227.03506	66.3
228.03891	5.2
229.05075	19.1
230.05385	1.4
239.03514	2.3
240.04225	1.5
241.05099	2.2
243.03018	1.1
255.03026	100.0
256.03540	10.7
257.04593	6.6
258.04999	0.7
267.03058	0.9
283.02640	1.1
284.03329	40.0
285.04095	61.9
286.04398	4.9
327.05103	0.7
584.40613	0.5
593.15265	90.4
594.15637	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	593.1331
Annotation	Unknow
Peak:m/z	Relative Intensity
54.66051	0.4
59.01262	3.9
59.84621	0.4
61.98715	1.5
62.20917	0.4
63.02283	1.0
63.71160	0.4
65.00213	1.2
66.98016	0.4
67.44157	0.4
73.02843	0.5
83.01294	1.6
85.02827	0.7
89.02352	1.2
91.01823	0.6
93.03361	1.1
93.44167	0.4
98.20659	0.9
98.81872	0.4
101.02339	1.4
107.01281	3.3
109.02874	0.4
109.35201	0.4
113.02355	0.6
117.03363	3.7
117.15960	0.4
119.03442	1.1
119.04945	3.7
125.02415	0.6
131.04951	0.4
132.02100	1.6
133.02888	7.0
134.03215	2.4
135.00827	1.8
135.04422	1.4
136.04813	0.7
143.04979	1.2
145.02882	13.4
146.03217	0.4
147.04471	0.4
151.00305	4.6
157.06491	1.0
159.04471	1.2
161.02391	17.2
162.02721	8.1
163.00331	3.4
163.02878	1.9
163.04109	2.2
164.01056	0.5
167.04962	0.5
169.01205	1.0
169.06516	0.8
171.04504	1.1
179.03468	0.7
183.04555	1.2
185.06070	1.8
187.03986	2.9
189.05493	1.2
195.04518	0.7
196.05382	0.5
197.06021	0.7
199.03964	1.7
200.04814	0.7
201.05511	0.8
205.04953	0.6
211.03960	4.0
212.04700	1.0
213.05553	1.8
215.03575	0.7
227.03503	42.9
228.03867	2.6
229.05061	10.1
230.05319	1.0
237.05557	0.4
239.03584	1.4
240.04327	1.0
241.05096	1.4
255.03023	74.2
256.03662	10.8
257.04584	7.9
267.03076	0.8
269.04480	0.5
271.02493	2.3
283.02606	1.3
284.03326	80.2
285.04083	100.0
286.04419	7.2
295.02451	0.9
299.02103	3.8
307.08374	5.2
314.04449	3.6
315.04816	0.5
327.05078	0.6
447.09564	2.8
592.21423	7.7
593.13202	90.7
593.21588	9.6
594.13489	14.8
624.73865	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.133
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13420	0.3
55.38179	0.3
57.12586	0.4
59.01263	4.2
60.29602	0.3
63.02282	1.3
65.00205	1.1
72.31697	0.3
73.02824	0.5
83.01266	1.2
83.85345	0.3
89.02351	1.9
89.03861	0.4
91.01849	0.3
93.03353	2.2
95.55405	0.3
101.02356	1.5
107.01295	3.8
109.02834	1.0
113.02358	0.8
117.03379	4.9
119.03419	0.9
119.04937	4.4
132.02072	2.2
133.02887	11.8
134.03214	4.3
135.00842	2.3
135.03516	0.6
135.04460	5.0
136.04773	1.8
137.02379	0.4
137.04950	0.5
143.04953	1.2
145.02893	13.8
146.03160	0.8
151.00301	6.3
153.01810	0.5
155.04955	0.4
157.06525	0.7
158.03650	0.4
159.04420	1.2
161.02390	28.3
162.02736	14.3
163.00305	3.0
163.02765	3.0
163.04173	2.0
164.01103	1.0
165.01823	0.5
167.04977	1.0
169.01337	0.7
169.06561	0.7
171.04443	1.1
173.02322	0.4
174.03113	0.6
182.03558	0.3
183.04460	1.3
185.06012	2.4
187.03996	3.9
189.05490	1.1
190.99794	0.4
195.04500	0.8
197.06194	0.8
198.03047	0.4
199.03998	1.0
200.04724	0.6
201.05562	0.9
211.03975	4.0
212.04730	1.0
213.05519	2.5
214.05971	0.4
223.04041	0.5
227.03506	49.3
228.03923	3.5
229.05057	11.5
230.05269	0.7
239.03497	1.5
240.04231	1.0
241.05043	1.9
243.02937	0.5
254.78766	0.4
255.03026	82.1
256.03641	13.0
257.04584	8.8
258.04993	0.5
267.03012	0.9
269.04538	0.4
283.02487	1.1
284.03326	85.2
285.04077	98.3
286.04477	6.7
307.08325	5.1
327.05035	0.6
447.09348	2.7
448.09323	0.4
474.23416	0.4
592.21350	5.5
593.13177	100.0
593.21533	10.3
594.13489	15.3
594.21021	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.3399
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01768	1.0
57.03330	2.3
59.01264	100.0
61.98722	2.5
65.40680	0.6
65.45143	0.6
69.03352	1.1
71.01268	16.5
71.37902	0.8
72.99190	1.1
73.02842	4.0
83.01279	4.5
85.02847	10.0
87.00781	1.6
89.02357	2.3
95.01289	1.6
97.02869	1.3
99.00805	2.6
101.02345	9.5
111.00736	0.7
112.01569	0.7
113.02345	10.4
125.02361	1.8
126.75256	0.7
127.11243	1.2
132.22458	0.7
133.06664	0.8
135.04466	1.0
143.03410	3.9
145.02888	0.9
149.06058	0.8
149.13326	2.4
157.12288	6.2
161.02440	2.3
161.04488	3.7
224.72440	0.7
298.91412	0.7
313.27838	0.8
343.28546	3.8
385.82513	0.8
421.29816	0.8
432.49802	0.8
439.30939	1.0
467.93997	0.8
487.32898	60.9
488.33136	9.5
505.34015	15.6
506.34476	2.4
547.34924	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	591.2976
Annotation	Unknow
Peak:m/z	Relative Intensity
56.85146	0.3
59.01265	3.9
71.19550	0.3
93.03359	0.9
98.20663	0.5
118.14758	0.3
119.04989	0.4
123.33975	0.3
169.06659	0.4
210.06868	9.2
211.07648	100.0
212.06046	0.5
212.08026	7.9
492.35321	0.3
609.21362	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.3402
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88892	2.0
52.57188	2.2
52.79274	2.0
57.03334	4.2
59.01268	100.0
61.98725	13.4
68.61046	2.0
70.62144	2.0
71.01278	28.5
71.57715	2.4
72.99216	2.2
73.02850	6.4
75.93556	2.2
79.93270	1.9
83.01283	4.3
85.02820	10.7
85.06470	2.4
85.99985	2.5
89.02363	6.0
95.01271	3.4
95.04928	3.3
96.95951	2.7
97.02827	2.8
99.00788	3.2
101.02372	15.3
109.02852	5.6
113.02383	12.0
115.07604	3.9
119.04950	4.1
120.39223	2.3
121.02854	4.3
123.04489	10.9
125.02361	7.7
133.02907	8.7
135.04474	13.9
137.02364	3.1
143.03441	5.1
145.02914	5.3
149.02422	3.7
150.03181	2.6
151.03954	7.4
161.02419	19.7
161.04507	6.1
163.04001	3.0
173.02368	2.5
175.03969	2.4
179.03468	4.4
182.12460	2.3
201.01942	2.7
243.03210	2.4
245.08148	2.9
246.08754	2.5
253.05154	2.5
289.07263	20.1
290.07407	2.6
313.00629	2.2
343.28546	4.8
355.15558	5.2
392.11880	3.1
439.17587	6.1
487.32913	34.3
488.33151	7.2
505.34009	21.7
506.34525	2.9
547.34943	5.8
548.34369	2.5
591.20728	4.4
592.25305	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	591.3403
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41806	0.6
54.99703	0.7
55.01777	1.7
57.03342	1.5
59.01266	100.0
60.01609	1.2
61.98722	2.5
69.03343	0.6
69.33566	1.0
69.33960	5.7
71.01272	16.2
73.02832	5.1
78.95820	0.8
80.85582	0.7
83.01286	3.6
85.02843	10.5
86.00034	1.2
87.00805	1.7
89.02361	2.4
95.01313	1.9
97.02888	1.6
99.00801	2.1
101.02343	10.9
106.94323	0.5
111.00793	0.9
113.02367	12.4
115.03965	1.1
119.03464	0.8
119.11170	0.6
123.04444	0.7
125.02392	3.0
133.02885	0.9
135.04475	1.4
137.99530	0.6
143.03456	4.4
145.02922	1.0
149.13350	1.0
157.12234	3.7
159.02917	1.0
161.02402	2.9
161.04485	4.9
179.03525	0.9
180.02554	1.1
219.88036	0.6
223.04303	1.0
289.07431	1.9
315.84674	0.7
325.27692	1.0
343.28543	3.8
394.22330	0.6
412.77850	0.7
451.31122	0.7
457.31888	0.9
469.31921	0.8
487.32895	52.3
488.33405	6.3
505.33997	20.8
505.41147	1.0
506.34277	1.5
547.34930	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	591.2673
Annotation	Unknow
Peak:m/z	Relative Intensity
54.95170	0.9
58.00486	1.5
59.01262	70.6
69.03327	1.5
71.01272	37.9
71.01673	2.2
72.99195	2.5
73.02839	34.9
83.01288	5.1
85.02853	7.1
85.42996	1.0
87.00758	1.9
89.02335	37.2
91.23548	1.0
96.95920	4.7
97.02840	1.5
99.00779	100.0
100.01104	2.5
101.02349	19.7
111.00753	1.4
113.02370	14.9
119.03442	3.7
124.58175	1.0
125.02359	5.7
131.03416	10.3
133.02866	1.1
135.04381	1.7
143.03455	3.8
145.02901	2.6
149.04510	33.1
149.05821	1.7
155.03468	2.3
161.02391	3.8
161.04488	7.3
163.03976	1.5
166.02673	1.2
179.03403	1.6
191.05589	34.6
192.05986	1.6
203.05585	16.0
229.72374	1.2
233.06667	6.8
301.03519	2.3
335.09952	2.2
387.14536	2.9
505.26688	6.4
506.15222	1.7
547.27716	81.7
548.27997	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	591.2095
Annotation	Osmanthuside B6
Peak:m/z	Relative Intensity
51.77655	0.3
55.01772	0.3
57.03355	0.3
57.70877	0.3
58.00480	0.4
59.01266	7.2
71.01273	4.9
73.02843	1.3
83.01286	0.7
85.02849	1.9
87.00765	0.8
89.02335	3.6
93.03377	0.4
95.01294	0.4
95.28794	0.2
98.19792	0.8
101.02353	2.7
113.02361	2.6
115.03885	0.4
117.03380	24.6
118.03705	0.6
119.03436	1.5
119.04947	15.3
120.05273	0.6
125.02384	0.5
131.03462	0.7
133.02893	0.5
135.04445	0.8
135.49626	0.3
137.05959	0.6
143.03424	0.8
145.02892	100.0
146.03242	4.6
161.02469	1.3
161.04434	0.5
163.03960	18.5
163.06123	0.7
164.04289	0.9
179.03413	0.4
179.05585	0.4
205.07173	0.7
233.08293	0.5
247.08206	0.6
255.03154	0.3
262.38135	0.3
283.02609	0.3
299.11404	0.5
427.16086	1.1
445.17389	2.0
591.21008	24.6
592.21814	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	591.2095
Annotation	Osmanthuside B6
Peak:m/z	Relative Intensity
55.01761	0.3
58.00474	0.4
59.01265	8.1
66.23219	0.2
69.81053	0.2
70.10759	0.2
71.01270	5.5
72.99194	0.8
73.02833	1.3
75.00744	0.3
81.03341	0.3
83.01290	0.5
85.02841	2.4
87.00761	1.0
89.02339	4.5
93.03359	0.2
95.01301	0.4
95.11833	0.2
96.95916	0.6
97.02842	0.2
99.00803	0.4
99.04423	0.3
101.02351	2.9
103.03915	0.5
109.02853	0.3
109.23769	0.2
113.02350	3.2
115.03902	0.5
117.03374	25.7
117.86431	0.2
118.03673	1.3
119.03556	2.1
119.04941	14.6
120.05289	0.7
121.02894	0.3
122.44857	0.2
125.02363	0.8
131.03410	0.9
133.02859	0.8
135.04439	1.5
137.06009	0.7
143.03436	0.9
145.02884	100.0
146.03227	4.3
151.00307	0.3
161.02383	2.3
161.04495	0.4
163.03955	15.6
163.05931	1.2
164.04312	0.9
175.03975	0.3
179.03510	0.7
179.05592	0.3
180.42729	0.2
183.04504	0.2
187.03954	0.2
190.63652	0.2
191.05597	0.3
205.07141	1.0
223.81332	0.2
227.03467	0.4
229.05183	0.4
229.72542	0.2
233.08330	0.3
247.08165	0.6
255.03041	1.9
283.02545	3.1
284.03223	1.1
285.04117	1.7
299.11423	0.4
382.31824	0.3
427.16019	1.3
428.17197	0.2
429.17697	0.7
445.17245	1.7
447.09338	0.6
591.21027	23.5
592.22369	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	591.21
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00498	0.2
59.01265	5.7
61.98727	0.3
69.49577	0.5
69.49992	1.0
71.01266	3.2
72.99199	0.6
73.02831	0.5
83.01270	0.4
85.02824	0.8
87.00775	0.5
89.02332	3.2
90.01866	0.2
90.55077	0.2
95.01328	0.2
96.59053	0.2
99.00810	0.2
101.02342	3.5
101.76820	0.2
113.02348	2.8
115.00293	0.5
116.92789	0.2
117.03378	23.1
118.03722	0.9
119.03454	2.4
119.04935	7.3
125.02316	0.2
129.13370	0.2
131.03427	0.4
133.01375	1.7
133.02855	0.3
133.05002	1.1
135.04457	0.4
137.05989	0.6
139.26289	0.2
143.03493	0.3
145.02888	100.0
146.02074	0.2
146.03229	4.3
149.06015	0.6
151.00316	0.2
161.02400	1.2
161.04575	0.3
163.03961	3.2
163.06006	0.2
164.44351	0.2
172.81087	0.2
177.34717	0.2
191.83345	0.2
205.07123	0.3
233.08223	3.4
255.02928	0.2
263.09326	1.2
271.02170	0.2
281.10229	0.5
285.04153	0.7
299.11322	0.7
301.03510	0.4
427.16071	0.7
445.17184	1.4
591.20978	23.8
592.21393	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	591.2099
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63168	0.2
57.03349	0.3
58.00487	0.6
59.01264	12.8
60.01600	0.2
61.98724	0.6
69.47313	1.7
71.01270	6.8
72.99210	0.9
73.02840	0.9
78.83987	0.2
83.01274	0.5
85.02845	1.7
85.24379	0.2
87.00752	1.2
87.04430	0.3
89.02337	6.7
93.03327	0.2
95.04964	0.3
96.88821	0.2
96.95912	12.6
98.20503	0.4
101.02342	6.6
105.03339	0.6
108.46673	0.3
110.48003	0.2
113.02364	2.9
115.03899	0.3
117.03378	14.5
118.03729	0.6
119.03442	4.2
119.04932	7.0
121.62911	0.2
123.04429	0.3
125.02357	0.3
131.03412	0.8
132.02115	1.6
133.02879	31.2
134.03191	0.7
135.04449	12.8
136.04752	0.6
137.06007	0.5
143.03419	0.8
145.02887	57.8
146.03209	2.5
149.05978	0.2
150.03136	0.5
155.62143	0.2
159.04286	0.3
159.93683	0.2
160.01587	0.3
161.02388	100.0
162.02750	4.5
163.03960	4.4
177.01907	0.4
177.05530	0.3
179.03461	1.0
179.05560	0.3
205.05081	0.6
205.07115	0.6
211.81393	0.3
227.03470	0.4
229.05070	0.2
255.02914	0.4
265.07037	0.4
282.01672	1.3
284.03430	0.6
313.02332	0.4
335.02087	0.3
350.69247	0.3
378.11035	0.3
400.05801	0.4
428.05728	0.4
429.17648	0.7
445.15106	2.8
446.15753	0.4
493.20837	0.6
539.71411	0.3
548.14227	0.9
591.12335	3.1
591.20892	57.2
592.12671	1.3
592.21283	9.9
603.15936	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2099
Annotation	Osmanthuside B6
Peak:m/z	Relative Intensity
57.03346	0.2
59.01266	6.0
71.01266	3.5
71.11198	0.2
71.11522	0.3
72.99210	0.3
73.02832	0.9
83.01273	0.3
83.68429	0.2
85.02843	1.3
87.00771	0.5
89.02335	3.5
91.10912	0.1
95.01293	0.2
96.95892	0.4
99.00777	0.2
101.02348	3.3
103.03925	0.2
106.63425	0.2
113.02361	3.4
117.03379	23.7
118.03728	0.9
119.03468	2.8
119.04942	9.2
120.05325	0.2
124.01656	0.2
131.03404	0.4
133.02870	0.2
133.06468	0.3
134.97569	0.2
135.04448	0.4
137.06026	0.7
143.03432	0.6
145.02892	100.0
146.03238	4.6
149.33687	0.2
161.02402	0.9
161.04562	0.3
163.03961	7.1
164.04335	0.4
175.03946	0.2
179.03397	0.3
233.08226	2.7
245.08051	0.2
263.09265	1.0
271.02338	0.2
272.02820	0.2
281.10162	0.3
299.11392	0.5
300.02954	0.2
301.03491	0.4
369.22964	0.4
392.12326	0.6
427.16003	0.6
429.16534	0.3
445.17331	1.3
487.25473	0.2
505.26715	0.6
547.27948	0.3
583.61475	0.2
591.20984	21.7
592.11993	0.2
592.21411	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	591.2097
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02353	0.2
55.45470	0.2
57.08834	0.2
59.01262	7.1
61.52344	0.3
61.98701	0.3
64.21197	0.3
70.86326	0.2
71.01263	4.5
73.02846	1.4
85.02843	1.2
85.36029	0.3
87.00789	0.6
87.04421	0.3
89.02341	3.4
95.01265	0.4
96.95920	0.8
101.02341	2.4
113.02362	1.7
115.03924	0.4
116.88703	0.3
117.03377	27.5
118.03712	1.1
119.03427	1.0
119.04942	13.9
120.05264	0.3
125.02388	0.4
131.03464	0.6
133.02888	1.0
133.06538	0.6
135.04462	0.7
137.06007	0.8
143.03433	1.1
145.02887	100.0
146.03224	4.7
149.05988	0.6
161.02403	2.6
161.06015	1.2
163.03960	10.5
163.06012	0.6
164.04344	0.3
165.05502	0.5
177.05565	0.3
179.03432	0.4
191.03377	0.3
205.05075	0.7
205.07054	0.4
227.03470	0.4
255.03047	0.6
265.07184	0.6
284.03430	1.5
285.03928	0.4
299.11218	0.3
435.32736	0.3
445.15042	1.5
563.14606	0.4
591.20966	59.7
592.21442	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	591.2099
Annotation	Osmanthuside B6
Peak:m/z	Relative Intensity
57.03328	0.2
58.00471	0.6
59.01265	11.5
59.03998	0.2
61.72391	0.2
71.01273	5.6
71.35257	0.4
72.99194	0.6
73.02831	1.0
75.90609	0.2
83.01286	0.4
85.02836	1.5
87.00762	0.8
87.04419	0.5
89.02340	5.1
89.03883	0.3
93.03362	0.2
95.01270	0.4
96.45664	0.2
96.63278	0.2
99.00763	0.2
101.02346	4.5
103.03970	0.2
104.34723	0.2
105.03389	0.5
111.00690	0.2
113.02356	2.0
115.01840	0.3
115.03937	0.2
117.03381	12.7
117.27426	0.2
118.03706	0.8
119.03429	3.2
119.04938	6.2
120.05268	0.4
121.02915	0.2
123.04446	0.5
125.02382	0.2
126.49854	0.2
131.03444	0.5
132.02109	1.6
133.02884	31.7
134.03259	1.2
135.04453	13.3
136.04803	0.7
137.02339	0.3
137.05998	0.3
143.03423	0.7
145.02890	45.4
146.03215	2.2
149.04524	0.2
160.01613	0.3
161.02393	100.0
162.02733	5.1
163.03966	4.9
163.06035	0.4
179.03519	0.5
179.05611	0.3
205.05028	0.6
205.07201	0.7
235.69460	0.2
240.29308	0.2
265.07318	0.3
271.02527	0.3
300.02747	0.5
301.03467	0.9
392.12088	0.2
429.17847	0.6
438.65744	0.2
445.15366	0.8
558.55200	0.2
591.20972	53.4
592.21277	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	591.2098
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	0.2
58.00486	0.3
59.01264	6.3
59.50241	0.2
71.01271	2.7
71.06344	0.2
71.06673	0.4
72.99194	0.3
73.02833	0.9
83.01276	0.4
85.02843	1.2
87.00783	0.8
87.04417	0.4
89.02347	2.1
89.03850	0.3
95.01301	0.4
101.02350	1.8
103.03907	0.4
103.76749	0.2
105.03368	0.6
113.02365	1.0
113.93867	0.2
115.03925	0.7
117.03386	0.9
119.03410	0.6
123.04436	0.2
125.02346	0.2
131.03450	0.6
132.02118	1.8
133.02882	28.8
134.03255	1.0
135.04453	9.0
136.04819	0.3
137.02356	0.3
143.03459	0.8
161.02391	100.0
162.02730	4.3
163.06030	0.3
173.93674	0.2
179.03464	5.3
180.03853	0.3
205.05067	0.3
205.07095	0.4
214.05954	0.2
217.08647	0.2
247.74974	0.2
429.17847	0.4
591.20935	46.8
592.21259	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	589.3242
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01773	0.5
57.03333	0.7
59.01264	27.2
61.98703	0.4
69.71812	2.6
70.14016	0.4
71.01268	5.8
71.04906	2.4
73.02832	1.3
78.95800	0.9
83.01279	0.4
83.04872	0.4
85.02839	1.9
87.00784	0.6
89.02340	5.1
95.01295	0.4
96.95921	1.9
101.02350	5.3
104.56884	0.4
106.13004	0.4
113.02353	2.4
119.03406	1.6
151.60910	0.4
161.04523	1.7
179.05571	0.7
209.15448	1.0
221.15562	0.5
223.17056	2.0
231.21201	1.2
235.08241	1.6
235.17038	20.4
236.17393	1.7
237.18648	0.7
252.99936	0.5
253.09320	26.4
254.09674	1.6
275.20218	26.5
276.20480	2.2
293.21295	100.0
294.21619	10.1
320.65897	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.3248
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02052	0.4
57.03329	0.5
59.01265	25.0
61.98705	0.6
64.55791	0.4
69.78512	0.4
71.01268	5.0
71.59568	0.5
72.99196	0.4
73.02833	0.7
85.02845	1.2
87.00779	0.7
87.23592	0.4
89.02335	4.1
91.03989	0.4
96.95912	0.5
101.02325	3.8
109.06488	0.5
113.02361	2.8
119.03413	1.1
121.10155	3.5
133.04988	0.7
161.04501	1.9
171.10228	10.8
172.10574	0.8
179.05522	1.1
183.13855	5.4
184.14105	0.6
185.11772	0.5
195.13828	1.0
211.13350	1.2
223.13344	2.1
231.21196	1.0
235.08398	1.1
235.17038	3.2
239.12794	0.4
253.09328	29.5
254.09679	1.4
265.21597	0.6
275.20206	19.3
276.20502	2.1
293.21301	100.0
294.21628	10.3
348.60260	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2099
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01771	0.1
57.03339	0.2
58.00475	0.5
59.01265	8.9
62.28237	0.1
62.88033	0.1
69.48486	0.1
71.01273	3.3
72.99213	0.4
73.02834	0.5
77.03837	0.2
83.01279	0.3
85.02851	0.9
87.00775	0.4
87.04416	0.2
89.02339	4.2
89.03872	0.3
95.01304	0.2
95.04934	0.2
96.95911	0.2
98.19765	0.3
101.02349	3.8
105.03340	0.7
113.02357	1.3
113.49054	0.1
115.01811	0.2
115.03922	0.3
117.03365	1.0
119.03423	2.5
123.04466	0.2
131.03442	0.4
132.02089	2.1
133.02879	31.9
134.03175	1.1
135.04451	16.7
136.04781	0.6
137.02318	0.1
143.03459	0.6
145.02892	0.2
159.26567	0.1
161.02390	100.0
162.02733	4.4
163.03972	0.2
163.06136	0.2
163.07524	0.2
179.03464	0.6
179.05545	0.3
179.07063	0.2
205.07156	0.3
261.18649	0.1
283.12067	0.2
429.17657	0.7
432.99615	0.1
560.83160	0.1
591.20947	37.0
592.21295	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	586.3093
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55007	0.1
59.01270	0.6
61.98716	100.0
62.98405	0.2
70.72636	0.3
71.01271	0.4
73.02832	0.1
83.01282	0.1
85.02888	0.1
89.02322	0.2
97.86794	0.1
101.02365	0.3
113.02368	0.2
114.29716	0.1
133.02879	0.1
135.04462	0.3
141.67322	0.1
149.02370	0.2
150.03194	0.4
150.25652	0.1
151.03731	0.1
156.85146	0.1
161.02393	0.7
163.03969	0.1
165.01849	0.1
165.05547	0.6
166.05862	0.1
179.03523	0.1
180.04005	0.1
195.06615	0.4
203.67029	0.1
222.18105	0.1
287.22437	0.1
407.73016	0.1
424.22632	0.1
432.27222	0.2
433.27094	0.2
434.27582	0.2
450.20474	0.1
451.28357	0.1
452.28561	0.3
514.20215	0.1
586.27802	0.1
587.28210	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	589.1789
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24383	0.3
54.25836	0.3
59.01262	1.2
71.01266	1.0
71.59309	0.5
85.02857	0.4
87.96668	0.4
89.02324	0.7
96.95907	0.7
101.02378	0.4
105.87282	0.3
113.02401	0.4
123.27926	0.3
124.28761	0.4
125.02469	0.4
133.02844	0.4
135.04434	1.4
137.02403	1.4
149.06004	1.0
161.02402	1.4
163.03963	1.2
163.73747	0.3
164.04739	77.4
165.05078	4.2
179.07101	100.0
180.07433	5.9
191.05669	0.3
200.48839	0.4
208.02739	0.3
211.07590	0.5
241.05222	0.4
242.05782	0.5
257.08218	1.5
323.11319	0.4
341.12509	28.8
342.12863	2.7
371.18271	0.4
376.26852	0.4
383.13577	8.4
384.13977	0.6
534.85040	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.158
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02857	21.2
59.01257	1.1
60.98465	0.3
70.02867	2.9
70.89037	0.5
70.89379	0.8
72.00799	1.7
76.14281	0.4
91.05413	2.0
93.03376	2.5
111.04411	0.9
133.02904	1.9
134.03665	0.8
135.04443	21.9
136.04796	1.4
137.02367	1.2
147.04454	10.6
148.04749	0.5
161.02379	5.3
164.07114	36.0
165.07491	1.8
173.04427	0.5
179.03456	18.9
180.03786	0.7
200.01846	0.3
206.08202	100.0
207.08557	5.7
250.07188	1.4
258.43402	0.4
335.07770	21.1
336.08057	1.2
437.65506	0.4
443.29907	0.4
589.29791	0.4
612.49091	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2361
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57207	0.4
59.01270	3.1
61.98721	8.1
71.01291	1.2
73.02860	0.8
75.00745	0.4
78.95827	0.5
85.02850	0.9
89.02350	1.1
93.03346	3.9
98.19827	0.7
101.02371	1.0
108.02123	0.4
113.02339	0.6
121.02871	3.8
122.03658	11.6
123.04054	0.6
133.02925	1.9
135.04445	1.9
136.01584	1.6
137.02394	0.8
145.02913	0.6
149.02379	16.0
149.06039	0.6
150.03168	87.0
151.03506	5.0
161.02396	2.3
161.04550	0.5
164.04752	3.1
165.05524	100.0
166.05878	5.6
167.06104	0.6
179.03397	1.0
180.04248	7.0
181.04871	0.7
195.06610	75.9
196.06961	5.8
229.51419	0.5
242.09590	0.6
270.08997	1.4
271.09875	0.5
285.11325	1.7
286.08627	0.7
298.08438	0.9
299.09177	0.9
310.08536	0.6
311.09537	0.5
313.10934	0.8
314.07993	1.2
325.10913	0.7
326.08060	1.0
328.13239	0.5
329.10403	3.7
330.10831	0.6
341.10413	5.8
342.10831	0.9
343.11838	0.6
344.12750	6.0
345.12851	0.6
356.12665	1.6
359.10568	0.8
359.15085	17.3
360.15329	2.1
370.13879	0.8
371.15021	15.4
372.15448	1.2
537.21198	1.6
584.73273	0.6
585.23315	2.2
585.31512	0.5
585.71924	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2358
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07124	0.5
59.01276	2.2
59.96763	0.6
61.98722	5.7
71.01288	1.9
71.07087	1.4
85.02883	1.2
89.02347	0.9
93.03373	3.7
95.01294	0.5
98.29778	0.6
101.02363	1.6
105.03442	0.6
108.02143	0.8
113.02358	1.5
121.02883	6.2
122.03654	15.2
123.04272	0.6
133.02888	2.1
134.03642	0.7
136.01570	0.8
149.02391	37.1
150.03169	97.5
151.03462	4.6
160.01640	0.9
161.04507	0.6
164.04768	8.1
165.05527	100.0
166.05884	4.9
179.07114	1.1
180.04239	7.0
195.06607	66.4
196.06998	4.1
201.46422	0.6
242.09377	0.5
257.11731	0.7
270.08966	2.4
271.09711	0.8
278.57639	0.6
283.09738	0.8
284.06760	0.7
285.11343	2.3
291.18326	1.3
297.11414	0.6
298.08499	1.2
298.11594	0.6
299.09271	1.6
299.12982	1.4
301.10818	0.8
311.09412	1.0
313.10913	1.4
314.07968	2.2
325.10544	1.0
326.07831	1.2
326.11475	1.3
327.12366	4.3
328.13193	7.7
329.10339	6.1
329.13785	1.2
330.10928	1.9
341.10403	7.9
341.14182	1.2
342.10669	1.2
343.11707	1.0
343.15442	1.5
344.12698	8.7
345.13193	1.3
356.12631	3.2
357.13434	1.1
359.15088	23.2
360.15298	2.3
369.13080	0.6
371.15042	17.6
372.15457	1.6
423.22397	2.2
453.23413	2.2
461.15903	1.9
463.17581	0.8
491.17093	0.7
492.17825	2.4
493.17752	0.6
507.20300	8.6
508.20462	0.9
519.20374	1.2
537.21399	50.6
538.21790	8.6
585.23114	5.6
586.23706	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	585.2202
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01774	0.5
57.03337	20.5
58.03626	0.6
59.01265	30.0
61.98717	2.4
66.11997	0.5
71.01279	3.9
71.57629	0.6
72.99181	0.7
73.02824	0.8
79.05399	0.7
81.03368	0.8
83.01272	1.1
83.04903	1.3
83.56940	0.4
85.02841	1.7
87.00770	0.4
89.02331	1.9
95.01303	0.5
95.04936	1.3
97.02853	4.7
97.06504	0.9
99.04414	15.3
100.04761	0.5
101.02351	5.3
102.01889	0.5
107.04924	2.6
109.02858	3.9
109.06496	3.9
111.04441	4.0
113.02322	2.1
119.03410	0.8
119.08585	0.5
121.06541	2.5
122.03650	6.2
123.04465	2.6
124.05242	8.6
125.02375	3.6
125.06015	3.7
133.02818	0.5
133.06506	3.4
135.04453	1.7
135.08112	1.1
137.06013	9.1
139.07579	71.7
140.07925	3.2
143.03464	1.2
145.06520	0.7
145.10194	0.6
147.08090	1.6
149.06036	1.9
151.03931	2.0
151.07573	1.0
153.05504	1.1
161.02371	1.2
161.04506	9.1
161.09688	0.5
163.07587	0.9
163.11240	1.0
168.06529	0.5
168.07869	13.6
169.08669	5.5
171.08128	1.0
173.09583	0.5
175.11311	1.1
177.12802	1.4
179.05585	0.6
181.08640	2.1
187.11249	11.1
188.11630	0.6
189.05487	1.1
189.09200	1.3
190.09995	2.3
191.05536	0.6
199.11357	0.8
201.09183	0.6
205.12323	22.4
206.12654	1.5
210.08965	0.8
211.09761	2.9
217.12317	2.6
229.12366	1.1
231.10283	3.6
235.13394	3.3
248.39630	0.5
249.11357	4.2
251.12885	1.0
253.10828	1.0
255.10307	0.6
261.11307	2.9
262.11682	0.7
267.57431	0.5
273.11475	2.4
279.12433	100.0
280.12750	8.3
285.11319	0.7
291.12509	0.8
303.12503	4.3
321.13507	9.7
322.13821	0.5
354.67273	0.5
361.16669	2.8
363.14389	1.0
381.15439	0.7
403.40814	0.6
423.16681	27.1
424.17014	3.0
441.17764	8.6
442.18259	0.7
465.17532	1.5
469.99838	0.5
585.22046	15.9
586.22510	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	583.2199
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37681	0.4
59.01276	0.9
61.98720	1.5
71.01282	0.5
74.52453	0.5
91.38198	0.5
93.03356	4.8
95.04938	0.8
98.20551	1.4
108.02096	0.5
109.02839	0.7
121.02873	7.1
122.03665	13.4
123.04474	0.6
124.01514	0.5
133.02873	1.8
134.03665	0.8
135.04472	1.2
136.01599	1.9
137.02394	0.8
147.04500	0.7
148.01582	0.6
149.02383	31.7
150.03171	100.0
151.03468	3.3
159.04485	0.7
161.02409	1.1
164.04744	7.7
164.44788	0.5
165.05527	97.7
166.05844	4.2
168.59547	0.5
175.03949	0.8
176.04648	0.5
177.05574	2.5
179.03465	0.7
179.07101	1.1
180.04227	6.6
190.06348	1.1
194.05934	0.5
195.06613	63.9
196.06926	3.3
199.18959	0.5
203.07101	0.7
209.08247	0.7
210.20038	0.5
210.67793	0.5
224.06750	0.9
227.02618	0.5
239.07059	0.8
255.10326	0.6
256.07529	0.5
265.08698	0.6
267.06705	0.7
268.07446	2.6
278.05737	0.5
279.06616	0.6
280.07294	0.6
283.09717	2.1
284.06842	0.9
295.06119	0.6
295.09555	0.5
296.06921	1.2
297.08020	0.7
297.11292	2.0
299.09201	0.9
307.09793	2.0
308.06949	1.4
308.10590	2.2
309.07602	1.5
309.10983	0.7
311.09244	1.3
312.06451	2.6
313.10730	0.5
321.07593	0.6
322.08475	1.1
323.09445	3.1
323.12637	0.6
324.06482	0.7
324.09915	2.7
325.07324	0.6
325.10675	2.4
326.08078	0.7
326.11646	4.8
327.08777	6.4
327.12128	0.9
328.09244	1.2
338.11563	1.1
339.08826	9.9
339.12415	1.5
340.09146	0.8
341.10129	0.6
341.13968	1.3
342.11078	5.4
343.11722	1.3
354.11288	2.9
356.12341	0.7
357.13507	22.4
358.13788	2.0
369.13504	25.1
370.13666	2.5
457.13144	0.7
461.16257	1.4
472.15253	0.6
487.17728	1.3
489.15704	0.8
505.18842	7.2
506.19012	1.3
512.36975	0.4
517.18561	1.6
520.17853	0.5
535.19836	44.0
536.20233	6.7
553.20850	0.7
583.22101	3.7
584.21930	0.5
601.90863	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2203
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27652	0.3
50.59270	0.2
57.03350	0.3
59.01268	2.1
60.99189	0.3
61.98718	5.6
69.42964	0.6
69.43362	2.2
71.01272	2.3
73.02832	0.5
83.01269	0.4
85.02860	0.8
87.00789	0.5
88.98698	1.9
89.02341	1.1
93.03357	3.4
95.01299	0.6
95.04936	0.3
96.95941	0.4
97.02849	0.3
101.02351	1.0
106.67384	0.3
109.02905	0.4
113.02375	0.8
119.03413	0.7
121.02882	4.2
122.03663	12.1
123.00845	0.4
124.01551	0.7
125.02379	0.6
131.03455	0.3
133.02882	2.2
134.03651	0.4
135.04457	2.2
136.01570	1.1
137.02383	0.9
138.03178	0.3
149.02383	17.8
149.05962	0.4
150.03171	89.6
151.03471	2.8
153.05424	0.3
160.01637	0.7
161.02377	2.6
164.04749	3.6
165.05525	100.0
166.05838	4.4
175.03914	0.5
177.05518	0.5
179.03462	1.3
179.07146	0.6
180.04242	6.2
193.01451	0.3
195.06609	74.3
196.06943	3.3
203.03391	0.4
203.07144	0.4
210.91904	0.3
237.05652	0.3
240.07959	0.6
243.06667	0.5
251.07169	0.4
255.10239	0.4
267.06573	0.5
268.07480	2.0
279.06717	0.5
280.07391	0.5
283.06848	0.3
283.09906	2.0
284.07080	0.3
287.22284	1.0
288.22562	0.4
294.08902	0.4
296.06906	1.1
297.07874	0.7
299.09335	0.7
308.06863	1.1
309.07635	1.5
310.08383	0.4
311.09283	0.9
312.06363	1.9
322.08255	0.7
323.09180	2.2
324.06296	1.3
324.10059	1.8
325.11081	0.4
327.08820	6.2
328.09042	0.4
337.10852	0.7
338.11661	1.1
339.08862	8.2
339.12521	1.5
340.09152	0.5
342.11160	5.5
343.11575	0.5
353.10489	0.5
354.11121	2.9
355.11679	0.7
357.13528	22.9
358.13889	1.7
369.13507	25.2
370.13791	2.2
392.12378	1.6
392.62228	0.7
417.11951	0.6
431.26584	1.1
449.27582	1.5
450.27817	0.8
451.28226	0.6
505.18610	0.7
522.33795	0.4
523.34802	1.2
535.19830	1.5
553.21552	0.5
582.32306	4.0
583.21936	1.7
583.32269	3.5
584.22644	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.379
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01267	16.6
60.01587	0.6
71.57211	0.9
78.95794	17.7
80.96412	1.1
90.56322	0.5
103.55464	0.7
121.02875	1.2
122.79332	0.5
152.99522	2.9
168.04242	3.3
202.66328	0.6
224.06920	8.5
231.83665	0.5
234.51234	0.6
242.07993	2.8
283.26489	100.0
284.26846	9.2
339.56720	0.7
508.34198	65.3
509.34479	9.2
582.31036	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	583.2204
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18827	0.3
59.01268	2.0
61.98718	3.5
64.08047	0.3
71.01269	0.6
71.27956	0.4
71.28279	0.4
73.01202	0.3
75.00773	0.9
78.95796	0.6
85.02821	0.4
93.03362	3.3
95.01301	0.5
96.95867	0.3
101.02328	0.4
105.03362	0.4
109.02886	0.6
121.02864	4.8
122.03655	12.4
123.00822	0.5
123.04512	0.5
124.01573	1.1
125.02354	0.5
133.02908	1.9
134.03680	0.4
135.04454	1.2
136.01584	6.3
137.02371	1.3
145.02879	0.4
147.04578	0.3
149.02385	17.7
150.03171	81.9
151.00360	1.8
151.03964	7.7
152.04291	0.4
161.02388	1.5
162.03017	0.3
163.03969	0.3
164.04735	2.8
165.05527	100.0
166.02675	4.9
166.05856	3.8
167.03419	0.5
173.06036	0.4
175.04010	0.9
175.07573	0.3
177.01952	0.5
177.05534	0.4
179.03424	0.5
180.04254	6.2
181.05023	4.9
182.05373	0.4
189.05521	0.6
190.06325	0.7
191.03488	0.3
195.06610	71.9
196.06955	4.0
205.05022	0.3
208.03537	0.3
221.08199	0.5
309.07681	0.7
311.09525	0.4
329.10330	0.3
342.11008	0.9
357.09689	1.5
357.13474	6.3
358.13885	0.7
369.13718	0.4
372.12170	1.2
373.12729	0.6
387.14581	13.8
388.14865	1.2
392.11719	0.3
405.90082	0.3
474.30264	0.3
505.18530	0.4
535.19769	2.3
583.21826	1.0
583.73914	0.3
584.24664	0.4
597.57257	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2199
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01280	2.2
59.01534	0.3
59.64032	0.3
61.98717	3.1
67.01765	0.4
69.03357	0.7
71.57870	0.6
79.36383	0.4
85.02852	0.6
89.02293	0.4
93.03365	5.3
95.01264	0.9
95.04925	0.6
96.95938	0.6
99.35297	0.4
101.02336	0.5
105.03396	0.5
108.02075	0.9
109.02867	1.2
113.02317	0.4
121.02873	13.6
122.03667	18.6
123.00776	0.6
123.04427	1.6
124.01566	1.3
125.02349	0.7
132.02106	0.5
133.02852	2.7
134.03644	1.2
135.04460	8.5
136.01595	12.2
137.02419	3.7
139.03963	1.0
146.03653	0.5
147.04459	1.4
149.02391	32.1
149.06050	1.1
150.03171	100.0
151.00314	3.2
151.03972	15.6
152.01129	1.8
152.04539	0.5
152.99702	0.4
153.05536	0.5
154.02682	1.3
160.05286	0.5
161.02400	2.7
161.06021	1.2
162.03239	0.8
163.03949	2.3
164.04727	6.7
165.05528	97.2
166.02672	9.3
166.05858	4.1
167.03456	2.8
172.05249	1.7
173.06029	0.5
174.03238	0.5
175.03961	4.7
175.07574	0.4
176.04538	0.5
177.01857	0.9
177.05562	0.8
179.03447	0.9
179.07109	0.5
180.04259	6.4
181.05029	11.6
182.05452	0.6
189.05536	4.0
190.06317	5.5
191.03493	0.7
192.04199	0.5
193.05074	0.5
195.06612	57.6
196.06982	2.5
205.04997	0.5
205.08737	1.3
206.05797	0.7
207.06538	0.6
217.04858	0.4
221.08081	0.9
230.52077	0.4
265.05365	0.4
266.05814	0.8
282.05368	1.1
297.07645	0.7
309.07758	0.7
311.09271	0.4
314.08087	0.7
315.08853	1.2
325.10825	1.0
326.11639	0.7
329.10434	3.5
330.10803	0.5
340.09546	0.5
341.10260	0.5
341.14240	0.5
342.11099	1.1
343.12091	0.7
354.11136	0.6
355.11838	0.6
356.12778	2.3
357.09756	2.3
357.13525	9.4
358.13916	1.3
369.13321	0.8
372.12100	2.1
373.13049	2.3
381.83759	0.4
386.13818	1.3
387.14594	32.7
388.14963	3.2
392.12244	2.7
490.16290	0.4
505.18930	3.7
506.19412	0.8
517.18701	1.2
518.19037	0.5
520.17993	0.5
535.19843	50.0
536.20184	8.3
553.20966	0.6
583.22040	3.6
584.22095	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.3146
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03367	0.1
59.01263	1.2
61.98717	100.0
62.98422	0.2
64.53083	0.1
69.87796	0.1
71.01276	0.8
71.01644	0.1
71.01785	0.1
71.59846	0.1
72.99207	0.1
73.02831	0.3
75.82629	0.1
85.02868	0.4
87.00766	0.2
88.98717	0.1
89.02349	0.3
101.02364	0.5
107.04982	0.1
108.02150	0.1
109.02908	0.1
113.02382	0.4
122.03713	0.2
123.04446	0.1
125.02361	0.2
131.03424	0.2
133.02875	1.5
135.04469	1.5
137.02379	0.2
143.03490	0.1
145.02896	0.2
146.03212	0.2
148.05272	0.2
149.06021	10.4
150.03186	0.3
150.06346	0.7
161.02400	3.4
161.04478	0.2
162.02792	0.4
165.05519	0.2
177.05566	0.2
179.03447	0.9
180.03897	0.1
181.80269	0.1
188.07150	0.1
192.61720	0.1
195.06604	0.2
203.03558	0.2
209.08186	0.2
221.04523	0.1
230.18533	0.1
231.72581	0.1
311.11627	0.8
313.11310	0.1
358.26938	0.4
359.27161	0.2
360.27591	0.4
392.12262	3.0
392.62363	0.7
393.12488	0.2
421.14389	0.3
421.21100	0.2
426.11722	0.3
449.27707	0.1
522.33606	0.3
523.35010	0.2
582.19092	0.2
582.32214	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3223
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01267	2.6
60.01601	0.4
61.01685	0.5
61.98719	100.0
62.98423	0.1
71.59521	0.2
71.72636	0.1
78.95795	1.3
80.96230	0.2
91.20648	0.1
132.89404	0.1
152.99513	0.6
168.04352	0.3
170.04672	0.2
210.93710	0.1
242.08025	0.2
244.08479	0.2
279.23367	5.7
280.23700	8.1
281.23999	5.4
282.24286	3.2
289.76688	0.1
303.50864	0.1
504.31265	0.9
505.31485	1.0
506.31708	1.2
507.31915	4.7
508.32205	0.2
561.15289	0.1
581.32867	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.1844
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83795	0.2
59.01269	1.5
61.98719	100.0
66.16422	0.2
71.01277	0.9
71.57368	0.3
71.57777	0.3
83.01319	0.3
85.02851	0.3
89.02344	0.6
93.03355	0.3
101.02367	0.3
110.73438	0.2
113.02370	0.4
120.15451	0.2
123.04455	0.4
125.02379	0.3
133.02856	0.2
149.06073	0.4
153.01857	0.2
161.02365	0.5
274.03394	0.3
285.07803	0.5
300.10297	0.5
301.03192	0.3
302.03632	0.3
303.03806	0.4
331.12051	0.6
523.21869	0.5
582.14801	0.8
583.17761	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3015
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90725	0.3
59.01254	1.1
63.96116	1.1
69.03352	0.8
70.32941	1.3
71.01273	6.3
72.99197	0.4
73.02849	1.5
78.98482	6.1
79.95628	10.3
80.96410	66.3
81.03347	1.1
81.96373	0.5
85.02841	2.9
86.06338	0.3
87.00774	2.5
91.08463	0.3
94.97986	17.1
95.01269	0.4
96.95930	1.5
97.02846	1.3
99.00763	0.6
99.04419	0.4
101.02323	2.6
106.73162	0.3
106.97993	3.1
113.02373	0.4
122.97496	5.3
125.02386	2.8
127.03892	0.9
134.42397	0.3
134.96545	0.6
134.97493	5.0
136.99063	1.3
138.97025	0.3
146.97530	0.3
148.99086	6.0
152.98569	7.4
164.98590	10.5
168.08145	0.3
182.99686	2.6
206.99663	2.8
225.00748	16.8
226.01027	0.9
243.01826	2.3
264.58804	0.3
281.24927	2.8
299.04462	2.8
515.99390	0.4
581.30121	100.0
582.30414	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	581.3194
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79156	0.2
55.01779	1.1
56.48990	0.2
57.03319	1.0
58.00472	0.5
59.01267	8.6
59.34479	0.2
61.98729	1.3
62.31717	0.2
68.99693	0.3
69.03333	0.8
71.01272	8.9
71.01667	0.4
72.13024	0.2
72.96763	0.2
72.99191	2.1
73.02844	4.5
75.00751	0.5
81.03326	0.3
83.01274	1.6
85.02843	3.6
85.99995	0.4
87.00766	1.9
88.10606	0.2
89.02340	3.3
95.01266	0.5
97.02852	1.0
98.19788	0.6
99.00771	2.9
99.08054	0.4
101.02345	5.2
111.00806	0.6
112.01581	0.3
113.02366	1.8
114.27615	0.2
115.03944	0.6
119.03392	0.5
124.01572	0.5
125.02364	1.4
129.09114	0.3
131.03412	0.5
133.02872	0.3
135.04448	0.4
141.12784	0.7
143.03447	0.3
149.05988	0.3
155.14398	0.3
161.02373	1.0
233.06509	0.3
241.21809	0.4
269.21280	2.3
285.20761	0.7
287.22351	22.8
288.22711	2.3
301.23892	0.4
329.23322	0.5
392.12167	0.3
431.26657	2.8
432.26846	0.4
449.27667	26.0
450.28049	3.5
491.28635	0.4
521.33502	0.5
552.03168	0.3
563.30841	0.5
581.31891	100.0
582.32233	16.4
596.56628	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2257
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	100.0
60.01603	1.7
66.81209	0.7
71.01279	2.7
73.02853	1.0
85.02824	1.0
89.02355	1.5
93.03349	1.6
98.19762	1.9
101.02390	2.5
119.03426	0.8
121.02876	1.4
135.04437	3.6
137.02348	1.0
147.04530	1.0
159.04536	0.9
161.02425	1.3
162.05060	0.8
167.03557	1.0
181.60359	0.8
205.08804	0.9
269.08212	7.4
283.09875	2.8
299.09183	4.8
304.82590	0.7
311.09341	8.4
314.11642	11.3
325.10950	1.4
326.11700	6.6
329.14011	44.5
330.14148	3.8
341.14035	26.6
342.14267	4.1
357.10199	1.0
359.15100	1.1
389.16125	4.7
461.16675	1.4
491.14673	0.9
581.19080	9.1
582.20129	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2041
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83558	0.4
59.01266	4.3
61.98716	5.0
71.01273	1.4
72.34631	0.4
73.02832	0.7
75.00771	0.8
89.02359	0.9
93.03369	3.9
96.95915	0.7
99.04450	0.4
101.02338	0.9
105.82892	0.4
108.02059	0.6
113.02381	0.8
119.04947	1.3
121.02872	6.1
122.03662	15.6
122.04555	0.7
123.04443	0.7
124.01598	0.8
125.02361	0.9
132.02077	0.5
133.02892	2.9
134.03683	0.6
135.04431	1.4
136.01584	2.2
137.02374	0.7
145.02831	0.8
147.04449	2.6
149.02383	24.8
149.05965	0.6
150.03168	100.0
151.03491	4.1
161.02414	1.9
162.03140	1.2
163.03966	0.8
164.04735	4.6
165.05525	91.6
166.02756	0.5
166.05833	3.8
175.03966	18.1
175.05484	1.0
176.04469	1.8
177.05518	1.2
179.03464	0.9
180.04247	6.5
181.04948	0.8
187.04086	0.5
188.04794	1.2
189.05574	0.5
190.06316	6.4
195.06609	47.6
196.06982	2.5
203.07158	1.0
209.06171	0.4
210.06885	0.7
218.05856	4.1
219.06552	0.8
222.05316	7.4
223.05696	0.5
225.05559	0.8
226.06180	0.6
235.07675	0.5
237.05548	0.9
238.06290	1.2
241.05202	0.9
249.05583	1.0
250.06166	0.9
251.07013	0.4
253.05093	1.6
254.05873	1.4
257.04626	0.6
263.07181	0.5
264.04276	0.5
265.04996	1.9
266.05890	4.2
267.03046	0.8
267.06406	0.6
269.08194	0.7
277.05170	1.0
278.05890	5.8
279.06702	2.3
280.07483	0.6
281.04605	2.6
281.08292	1.7
282.05429	1.8
284.03308	0.6
291.06668	0.9
292.07275	0.6
293.04709	0.7
293.08087	0.9
294.05432	1.7
294.08749	0.9
295.06134	0.9
295.09802	1.9
296.06897	0.7
296.10156	0.5
297.07745	1.6
299.05396	0.4
305.04544	0.5
306.05475	4.7
307.06137	4.6
308.06763	1.4
309.04114	3.6
309.07788	2.4
309.10983	0.5
310.04825	2.7
311.05722	0.8
319.06128	0.5
320.06989	1.3
321.07733	15.0
322.04895	1.0
322.08334	4.4
323.05792	0.6
323.09317	6.9
324.06396	4.4
324.10059	3.6
325.07214	13.4
325.10394	0.6
326.07932	1.6
335.09476	1.6
336.10080	6.2
337.07248	11.5
337.10858	3.3
338.07751	1.8
339.08817	11.9
339.12369	0.8
340.09485	9.6
341.10248	3.5
351.08786	0.9
352.09622	3.3
353.10321	1.6
354.11148	6.5
355.11942	27.8
356.12384	2.0
367.11938	44.0
368.12256	4.4
369.10159	0.5
371.11887	0.5
380.11731	0.4
385.12683	0.6
392.12396	0.6
445.13062	0.8
459.14551	1.0
471.14886	0.7
473.12646	1.6
475.14087	0.7
488.14862	3.0
489.15442	1.3
503.17294	13.5
504.17868	2.9
507.84439	0.4
515.17230	1.7
521.33356	0.8
533.18268	24.1
534.18634	4.1
551.19391	15.2
552.19604	2.6
563.19171	0.5
581.20502	26.0
582.20593	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2044
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	4.7
61.98715	11.8
63.99134	0.6
71.01259	1.9
71.11282	0.6
72.41408	0.6
72.99196	4.2
73.02861	0.9
75.00762	2.6
81.03382	0.7
83.01251	0.8
84.04673	0.6
85.02845	1.3
88.98725	0.8
89.02325	1.0
90.58508	0.5
93.03373	3.3
96.95918	1.4
97.02887	0.7
98.20676	1.0
101.02348	1.6
112.95557	0.5
119.04926	0.9
121.02878	5.9
121.32943	0.6
122.03663	13.4
123.04442	1.7
124.01593	0.7
125.02364	2.2
132.91672	0.7
133.02878	2.8
135.04442	1.9
136.01622	1.7
145.02925	0.9
147.04485	1.2
149.02383	20.0
149.06000	1.4
150.03168	94.9
151.03513	4.0
161.02420	2.9
162.03139	0.8
164.04726	3.6
165.05524	100.0
166.05853	4.3
167.03452	1.9
175.03951	11.9
176.04524	0.8
177.05573	2.2
179.03395	0.9
180.04239	6.0
188.04797	1.0
190.06323	4.3
195.06602	59.7
196.06995	3.3
207.06606	0.6
208.03624	0.7
210.06895	1.0
218.05861	5.4
219.06628	0.7
222.05296	5.7
223.05980	1.1
238.06436	1.6
241.05118	1.4
249.05580	1.4
249.47801	0.7
250.06421	0.8
254.06020	1.0
265.05234	1.1
266.05893	2.8
277.05219	1.3
278.05856	6.2
279.06564	1.8
281.04617	2.0
281.08212	2.0
282.05447	1.3
291.06802	0.8
292.07629	1.0
293.04733	0.7
294.05496	1.5
297.07935	1.5
305.04398	0.9
306.05402	5.9
307.06055	5.5
308.07370	0.9
309.04160	2.4
309.07739	1.5
310.04880	2.6
311.05502	0.8
315.08823	3.3
320.07040	2.1
321.07727	18.2
322.04880	2.1
322.08438	4.9
324.06537	2.2
324.10275	1.0
325.07199	15.8
326.07678	1.5
335.09393	2.2
336.10065	6.1
337.07333	11.4
337.10962	3.1
338.07672	0.9
339.08871	5.3
340.09537	8.2
341.10141	1.3
345.09937	1.0
352.09604	3.5
354.11096	4.3
355.07443	1.0
355.11942	29.0
356.12308	2.4
367.11932	51.9
368.12152	6.4
385.12967	1.1
434.91528	0.7
463.63898	0.8
503.17172	1.0
533.18256	1.5
551.19385	8.2
552.19781	1.1
552.75262	0.7
581.20642	22.4
581.30072	3.4
582.20563	4.6
582.29449	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2043
Annotation	Buddlenol A
Peak:m/z	Relative Intensity
56.48442	0.4
58.63884	0.4
59.01268	3.1
61.98711	4.6
71.01276	1.7
71.60047	0.7
72.99212	0.5
73.02831	0.6
75.00755	0.6
85.02844	0.8
89.02356	1.0
93.03348	4.6
94.04549	0.4
96.95972	0.5
101.02342	0.7
108.02126	0.5
109.02901	0.5
116.21230	0.4
119.04968	1.0
121.02872	4.7
122.03658	15.7
123.04439	0.9
124.01588	0.8
133.02919	2.1
134.03709	0.5
135.04459	1.6
136.01611	1.8
137.02386	0.9
145.02898	0.7
147.04504	1.8
149.02382	25.2
150.03169	100.0
151.03482	4.2
159.04512	0.4
161.02388	1.7
162.03146	0.9
163.03957	0.7
164.04749	5.3
165.05527	92.5
166.05850	4.0
175.03969	17.7
176.04613	1.6
177.05583	1.8
180.04247	6.9
181.04997	1.0
188.04797	0.9
190.06319	5.4
190.07895	0.6
191.03447	0.5
195.06609	46.6
196.06999	2.6
203.07124	0.6
204.04202	0.7
209.06229	0.5
210.06837	0.6
218.05840	5.0
219.06512	0.8
222.05315	8.1
222.07265	0.6
223.07607	0.4
225.05571	0.6
234.06874	0.4
237.05621	1.0
237.09322	0.4
238.06439	1.5
241.05096	1.1
242.05969	0.7
249.05614	0.7
250.06450	1.0
253.05000	1.0
254.05768	1.1
257.04672	0.6
265.05139	1.6
266.05930	4.3
267.03134	0.9
267.06403	0.7
269.08368	0.6
277.05203	1.2
278.05905	4.8
279.06635	1.5
280.07385	0.5
281.04608	2.7
281.08240	1.9
282.05365	1.3
291.06595	0.8
293.05048	0.5
293.08435	0.7
294.05423	1.9
294.08871	0.5
295.06326	0.8
295.09863	1.9
296.06995	0.8
296.10217	0.7
297.07730	1.4
306.05399	5.0
306.08633	0.7
307.06174	4.8
308.06824	0.9
309.04150	2.8
309.07788	2.6
309.11179	0.6
310.04910	3.3
311.05521	0.7
320.06970	1.7
321.07739	16.0
322.04855	1.7
322.08447	3.9
323.05759	0.5
323.09253	7.7
324.06409	4.9
324.10068	4.4
325.07217	13.8
325.10654	0.8
326.07779	2.5
335.09320	1.0
336.10110	5.2
337.07242	11.2
337.10907	3.1
338.07678	1.4
339.08801	11.7
339.12354	0.8
340.09552	9.9
341.10312	2.7
351.08768	1.2
352.09604	2.7
353.10364	1.5
354.11121	7.1
355.11932	24.2
356.12317	2.6
367.11935	42.0
368.12323	4.4
369.09604	0.5
385.13123	0.6
445.12891	1.1
459.15015	1.0
469.22943	0.4
473.12521	1.8
488.14786	1.9
489.15701	1.6
503.17209	13.0
504.17633	1.6
515.17151	1.7
521.33411	0.9
533.18329	25.5
534.18689	5.0
551.19373	15.7
552.19794	2.4
572.45557	0.4
581.20410	20.9
581.28302	0.8
582.20923	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	580.3635
Annotation	Unknow
Peak:m/z	Relative Intensity
57.08805	0.1
58.54448	0.1
59.01266	16.6
60.01604	0.2
61.98712	0.2
63.32919	0.1
69.33616	0.9
76.74287	0.1
77.19753	0.1
78.95795	6.7
80.64706	0.1
84.71500	0.1
85.58911	0.1
96.95922	0.5
96.96853	0.2
99.92480	0.2
115.91994	0.5
116.92788	0.4
121.00555	0.1
145.02892	0.3
146.03224	0.2
152.99518	1.7
168.04272	1.4
171.00526	0.2
172.95480	0.1
178.81094	0.1
179.89194	0.4
180.89952	0.3
196.89465	0.6
224.06979	1.0
235.91896	0.1
236.92630	0.3
242.08015	2.3
281.24911	100.0
282.25256	9.8
282.28485	0.2
294.61536	0.1
383.56308	0.1
411.66818	0.1
434.38205	0.1
506.32608	38.6
507.32962	5.7
521.28918	0.1
533.17303	0.1
563.17560	0.1
581.18225	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.3062
Annotation	Unknow
Peak:m/z	Relative Intensity
58.66991	0.1
59.01268	2.7
59.59452	0.1
60.01605	0.4
61.01686	0.5
61.98718	100.0
62.98418	0.2
67.37109	0.1
69.20776	0.2
71.58560	0.2
78.95790	1.1
80.96229	0.2
95.32574	0.1
135.63695	0.1
152.99564	0.5
168.04350	0.2
242.08040	0.2
243.08386	0.2
244.08611	0.2
277.21793	5.3
278.22131	8.2
279.22440	5.2
280.22714	2.6
502.29504	0.6
503.29684	1.0
504.30182	1.8
505.30380	4.4
506.30301	0.1
579.30743	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.3401
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02915	0.4
57.03053	0.6
57.03339	21.7
59.01264	37.7
61.98725	2.1
63.57558	0.3
69.03351	1.6
69.81307	2.1
71.01273	2.2
71.04906	0.4
72.99183	0.3
73.02843	0.5
76.18978	0.3
78.30238	0.3
82.88222	0.4
83.01314	0.5
85.02833	1.1
85.06490	5.2
89.02331	1.5
97.06506	0.6
99.08063	4.1
101.02341	1.2
113.02363	2.1
113.09624	1.2
119.03451	0.5
121.88213	0.3
123.08087	1.2
125.09643	3.4
127.07576	0.4
137.09683	0.5
143.10713	15.8
143.11858	0.8
144.11047	0.9
151.07578	1.4
155.10704	1.0
161.02400	0.8
161.04503	1.1
163.07544	0.4
171.13864	0.9
181.15930	1.0
195.13818	1.0
211.17038	3.8
212.17442	0.4
223.64391	0.4
227.16507	0.8
229.18106	29.8
230.18381	2.1
255.03021	0.8
271.02588	1.2
297.24396	1.7
300.02823	2.7
313.27563	7.0
314.27951	0.9
357.26535	100.0
358.26892	11.4
381.26553	3.7
382.27383	0.6
399.26596	0.4
411.27542	1.0
412.76431	0.3
493.41159	0.4
504.31119	0.4
519.31702	0.4
579.13568	1.5
602.15204	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2983
Annotation	Unknow
Peak:m/z	Relative Intensity
59.27158	1.7
75.79556	1.9
78.95801	20.0
91.05421	4.3
93.03358	2.5
95.04932	2.4
96.96841	5.3
103.05484	2.9
105.03352	5.8
115.07551	19.9
117.03372	35.9
119.04948	84.6
120.05244	3.6
121.02846	6.6
135.08107	2.4
145.02885	100.0
146.03215	5.0
147.04451	47.7
152.99533	31.3
162.03204	4.0
163.03941	29.2
223.00237	3.0
241.01096	10.2
263.09213	10.3
263.20224	13.0
268.56888	2.1
271.02499	5.8
300.02655	13.0
315.05045	4.6
315.16101	76.4
316.16412	6.5
342.43109	2.1
385.40610	2.6
427.13821	5.9
579.14197	7.9
579.25983	94.3
580.26147	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	579.2856
Annotation	Unknow
Peak:m/z	Relative Intensity
56.15302	0.3
59.01268	0.8
63.96114	1.2
69.03336	0.6
71.01269	8.2
72.01583	0.4
73.02834	1.4
78.95799	1.4
78.98482	4.6
79.95621	9.8
80.96407	64.5
81.03343	1.0
81.96345	0.5
83.01276	0.4
85.02846	2.8
87.00764	2.5
94.97982	14.8
96.95911	20.9
97.02858	1.5
99.00787	0.6
100.11976	0.4
101.02348	2.5
101.32596	0.4
106.98013	2.8
112.75563	0.4
113.02359	0.8
115.00294	0.3
116.92783	0.5
122.97502	4.9
125.02380	3.2
127.03927	0.6
130.65155	0.4
134.97507	3.8
136.93320	0.3
136.99095	1.3
146.97495	0.6
148.99080	5.7
152.98566	6.6
152.99657	0.8
161.04636	0.4
164.98584	12.2
167.00215	0.4
182.99648	2.1
206.99672	3.6
210.06845	2.6
211.07622	12.1
212.07951	0.8
213.08163	0.4
225.00748	16.2
226.01094	0.6
227.90408	0.3
229.77843	0.3
243.01859	1.8
245.04260	0.8
253.21600	0.4
269.21292	1.2
279.23370	2.9
280.23779	0.3
299.04459	2.6
300.02939	0.4
367.21240	1.2
378.22037	0.4
481.25760	0.7
535.29974	0.4
544.51416	0.3
579.28601	100.0
580.28937	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	579.2311
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	2.6
57.03325	3.1
58.00484	1.8
59.01266	77.1
61.98711	1.5
69.03340	1.5
69.54716	3.9
69.55125	2.0
71.01272	51.1
72.01611	1.0
72.99193	2.2
73.02443	1.4
73.02837	20.5
81.03331	1.0
83.01279	10.9
85.02843	26.9
87.00768	5.4
89.02339	36.9
90.02628	1.0
95.01283	9.3
97.02844	2.4
99.00793	4.1
101.02350	42.6
108.02096	0.9
113.02361	59.2
113.34036	0.7
113.82082	0.9
114.02693	1.7
116.47495	0.8
119.03429	14.6
119.79266	0.7
121.77839	0.8
125.02351	4.4
131.03410	3.0
133.02878	2.6
135.04440	2.2
137.02316	0.9
143.03438	6.9
149.02396	1.0
149.04482	2.2
150.03117	1.0
151.00253	1.4
151.11234	0.8
159.02882	0.9
159.04408	0.9
161.02475	5.5
161.04504	13.7
165.05559	1.7
169.12320	1.8
175.03908	1.5
179.03250	1.0
179.04201	1.0
179.05540	7.0
221.06479	1.3
242.83922	0.8
243.02962	2.7
255.03044	6.7
271.02563	13.8
272.02991	1.5
299.01871	1.4
300.02811	27.1
301.03198	2.5
331.17697	21.3
332.17831	1.9
373.18695	1.4
402.15704	0.8
417.15720	1.3
427.19983	0.9
475.21906	12.7
476.22195	1.3
480.64819	1.5
481.15204	1.0
493.23029	42.7
494.23483	4.9
519.31940	1.4
535.24091	100.0
536.24445	15.1
579.13495	17.3
579.22253	1.6
579.29224	5.0
580.13855	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	579.2097
Annotation	Unknow
Peak:m/z	Relative Intensity
55.40573	0.5
59.01268	1.2
66.62490	0.5
71.01274	2.0
73.02841	0.6
76.84435	0.5
78.02561	0.5
79.44431	0.4
85.02847	0.8
85.42121	0.4
89.29017	0.4
90.45141	0.5
93.03397	0.4
95.01273	0.6
101.02368	0.6
108.53044	0.4
109.02865	1.6
119.04951	0.6
123.00811	2.0
123.04433	0.6
125.02357	0.8
133.02869	0.6
136.01624	0.6
137.02370	9.1
145.02856	1.2
149.02403	0.9
151.00317	15.5
151.03996	1.3
152.01036	1.5
152.04730	2.9
153.05542	0.6
161.02396	1.3
161.04515	0.8
162.03270	0.4
163.03979	0.7
164.04703	0.7
166.02669	54.0
166.49629	0.4
167.03175	3.2
175.03938	1.2
177.01924	2.1
178.02737	0.4
181.05035	70.5
182.05373	3.3
190.06349	1.0
191.03477	0.7
192.04236	1.3
193.05000	1.1
195.02975	0.5
203.03526	0.5
205.08786	0.8
207.06653	1.5
219.06644	0.7
243.03006	0.8
255.03030	2.7
271.02518	5.1
272.03107	1.0
300.02826	10.5
301.03516	1.0
301.07120	0.5
329.10547	0.5
340.03632	0.4
357.09799	0.6
359.11325	1.9
371.15155	0.5
387.10959	15.5
388.11215	1.8
402.13385	5.8
403.13785	1.0
417.15643	100.0
418.16013	14.9
579.13409	6.3
580.14288	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1367
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88119	0.4
66.47825	0.4
70.90630	1.1
80.92786	0.4
84.35590	0.5
107.01292	0.5
108.02064	1.1
108.22543	0.3
116.37844	0.4
133.02884	0.6
135.00801	0.8
148.01587	0.7
151.00327	3.0
161.02354	1.2
163.00356	0.5
178.99812	4.1
199.03978	0.6
215.03444	0.5
216.04112	0.7
225.06224	0.4
226.02737	0.9
227.03517	2.0
243.03011	7.1
244.03587	0.5
254.02226	1.7
255.03026	19.5
256.03369	1.7
271.02527	39.7
272.03043	4.6
299.01965	1.2
300.02808	100.0
301.03226	11.5
411.46503	0.4
415.06540	0.5
579.13647	66.2
580.13989	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	579.1369
Annotation	Unknow
Peak:m/z	Relative Intensity
56.11758	0.2
57.03357	0.3
59.01269	2.3
63.02281	0.7
65.00205	3.4
65.00509	0.2
68.99709	0.6
71.01288	1.0
71.60468	0.4
72.99202	0.4
73.02852	0.5
79.01824	0.2
83.01282	0.7
85.02869	0.5
87.00795	0.7
89.02356	0.5
91.01838	0.3
93.03355	1.6
95.01271	1.6
96.99214	0.3
99.00780	0.5
101.02332	0.7
101.44489	0.3
107.01302	2.6
108.02090	1.8
108.99227	0.3
109.02859	0.8
110.00014	4.3
111.00799	1.9
113.02416	0.4
115.03986	0.3
117.03398	1.1
119.03426	0.4
119.05048	0.3
121.02908	0.9
123.00826	1.5
123.04427	0.6
124.01617	1.1
125.02384	1.0
130.04193	0.4
131.03433	0.4
132.02153	0.8
133.02872	1.7
134.03667	0.3
135.00804	0.7
135.04445	1.6
136.01598	0.5
136.98727	2.5
137.02313	0.5
137.99507	2.0
139.00299	4.0
141.99084	0.4
143.04961	0.9
145.02924	0.9
148.01627	1.1
149.02351	0.7
149.06032	0.4
150.03177	1.0
151.00320	7.1
151.03859	0.3
152.01099	2.4
153.01866	0.3
154.04225	0.3
155.04979	0.9
157.02919	0.5
157.06537	0.4
159.04478	1.0
161.02388	3.1
163.00291	1.5
163.06096	0.4
164.01109	0.4
164.98312	0.6
165.05583	0.5
165.99026	5.8
166.99814	2.9
167.04922	0.3
169.02885	0.4
170.03694	0.3
171.04463	2.1
173.02412	0.7
173.06078	0.7
174.03070	0.5
175.04068	0.3
177.05457	0.5
178.99823	4.3
179.03462	0.6
182.03691	0.8
183.04491	2.7
185.02383	0.3
185.06059	0.8
186.03235	0.3
187.03981	3.9
188.04721	0.4
189.05588	0.5
192.00642	0.5
193.01437	0.5
193.98575	1.0
194.99350	0.7
195.04532	0.3
195.06564	0.3
197.02409	0.7
198.03152	2.4
199.03949	4.0
200.04747	1.8
201.01976	0.3
201.05583	0.9
203.03488	0.9
203.07048	0.3
205.07240	0.3
206.99300	0.6
209.06142	0.5
210.03252	0.8
211.04008	3.3
213.01959	0.4
213.05568	0.3
214.02594	0.3
215.03491	3.4
216.04277	1.8
217.04829	0.5
225.02000	0.4
226.02716	4.0
227.03494	11.6
228.04021	1.9
229.05005	1.2
238.02658	0.7
239.03500	1.2
243.03023	17.0
244.03674	3.8
245.04471	0.9
253.05096	9.8
254.02271	4.7
254.05309	1.0
255.03026	44.6
256.03513	5.1
257.04578	2.8
259.02383	0.4
267.05170	0.3
269.04501	0.6
271.02536	52.4
272.03247	21.0
273.03748	2.5
282.01807	3.1
283.02524	16.3
284.03079	2.7
285.04037	2.3
286.04285	0.3
297.04028	0.4
299.02060	2.3
300.02811	83.6
301.03403	17.5
302.03879	0.8
309.04123	0.4
373.36102	0.3
392.12320	2.0
392.62418	0.5
397.05756	0.4
415.06802	0.8
417.08536	0.3
459.10947	0.3
461.84937	0.3
555.18042	0.6
555.67938	0.6
561.12018	2.2
562.12500	0.3
579.13605	100.0
580.13934	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	579.1369
Annotation	Unknow
Peak:m/z	Relative Intensity
56.11758	0.2
57.03357	0.3
59.01269	2.3
63.02281	0.7
65.00205	3.4
65.00509	0.2
68.99709	0.6
71.01288	1.0
71.60468	0.4
72.99202	0.4
73.02852	0.5
79.01824	0.2
83.01282	0.7
85.02869	0.5
87.00795	0.7
89.02356	0.5
91.01838	0.3
93.03355	1.6
95.01271	1.6
96.99214	0.3
99.00780	0.5
101.02332	0.7
101.44489	0.3
107.01302	2.6
108.02090	1.8
108.99227	0.3
109.02859	0.8
110.00014	4.3
111.00799	1.9
113.02416	0.4
115.03986	0.3
117.03398	1.1
119.03426	0.4
119.05048	0.3
121.02908	0.9
123.00826	1.5
123.04427	0.6
124.01617	1.1
125.02384	1.0
130.04193	0.4
131.03433	0.4
132.02153	0.8
133.02872	1.7
134.03667	0.3
135.00804	0.7
135.04445	1.6
136.01598	0.5
136.98727	2.5
137.02313	0.5
137.99507	2.0
139.00299	4.0
141.99084	0.4
143.04961	0.9
145.02924	0.9
148.01627	1.1
149.02351	0.7
149.06032	0.4
150.03177	1.0
151.00320	7.1
151.03859	0.3
152.01099	2.4
153.01866	0.3
154.04225	0.3
155.04979	0.9
157.02919	0.5
157.06537	0.4
159.04478	1.0
161.02388	3.1
163.00291	1.5
163.06096	0.4
164.01109	0.4
164.98312	0.6
165.05583	0.5
165.99026	5.8
166.99814	2.9
167.04922	0.3
169.02885	0.4
170.03694	0.3
171.04463	2.1
173.02412	0.7
173.06078	0.7
174.03070	0.5
175.04068	0.3
177.05457	0.5
178.99823	4.3
179.03462	0.6
182.03691	0.8
183.04491	2.7
185.02383	0.3
185.06059	0.8
186.03235	0.3
187.03981	3.9
188.04721	0.4
189.05588	0.5
192.00642	0.5
193.01437	0.5
193.98575	1.0
194.99350	0.7
195.04532	0.3
195.06564	0.3
197.02409	0.7
198.03152	2.4
199.03949	4.0
200.04747	1.8
201.01976	0.3
201.05583	0.9
203.03488	0.9
203.07048	0.3
205.07240	0.3
206.99300	0.6
209.06142	0.5
210.03252	0.8
211.04008	3.3
213.01959	0.4
213.05568	0.3
214.02594	0.3
215.03491	3.4
216.04277	1.8
217.04829	0.5
225.02000	0.4
226.02716	4.0
227.03494	11.6
228.04021	1.9
229.05005	1.2
238.02658	0.7
239.03500	1.2
243.03023	17.0
244.03674	3.8
245.04471	0.9
253.05096	9.8
254.02271	4.7
254.05309	1.0
255.03026	44.6
256.03513	5.1
257.04578	2.8
259.02383	0.4
267.05170	0.3
269.04501	0.6
271.02536	52.4
272.03247	21.0
273.03748	2.5
282.01807	3.1
283.02524	16.3
284.03079	2.7
285.04037	2.3
286.04285	0.3
297.04028	0.4
299.02060	2.3
300.02811	83.6
301.03403	17.5
302.03879	0.8
309.04123	0.4
373.36102	0.3
392.12320	2.0
392.62418	0.5
397.05756	0.4
415.06802	0.8
417.08536	0.3
459.10947	0.3
461.84937	0.3
555.18042	0.6
555.67938	0.6
561.12018	2.2
562.12500	0.3
579.13605	100.0
580.13934	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	578.3477
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	18.1
60.01593	0.2
70.87406	0.4
78.95795	6.2
80.96410	0.4
125.20148	0.2
142.91008	0.2
149.96049	0.2
152.99522	1.3
168.04269	2.0
180.03569	0.2
224.06947	1.1
242.08012	2.4
261.22372	0.4
279.23346	100.0
280.23697	9.8
298.65335	0.2
326.73947	0.2
387.61099	0.2
459.77094	0.2
504.31082	29.5
505.31354	4.0
578.27551	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.27
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	0.4
59.01261	0.9
63.96123	1.3
66.75340	0.3
69.03340	0.6
70.07243	1.2
71.01271	7.2
72.99185	0.3
73.02851	1.9
78.98487	6.0
79.95624	10.3
80.96409	68.0
81.03335	0.7
83.01230	0.5
85.02840	2.3
87.00779	3.0
91.03905	0.4
94.97986	15.9
95.01278	0.6
96.95917	0.7
97.02818	1.3
98.19817	0.4
99.00774	0.5
101.02336	2.6
106.97991	3.3
111.33537	0.3
113.02390	0.5
122.97497	6.5
125.02373	2.9
127.03925	0.9
134.97504	4.5
136.96501	0.2
136.99068	1.5
141.68753	0.3
146.97487	0.5
148.99086	5.6
152.98586	7.1
152.99818	0.4
164.98581	12.5
167.00090	0.3
179.00252	0.3
182.79735	0.3
182.99644	2.8
206.99686	3.2
225.00748	18.0
226.01096	0.6
243.01753	1.6
261.65854	0.3
277.21841	2.4
286.24533	0.3
287.74213	0.3
299.04401	2.9
577.26990	100.0
578.27301	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	578.1375
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52245	0.8
57.03336	1.0
59.01265	28.1
61.92206	0.8
64.01796	2.4
65.99736	1.2
69.55624	4.6
69.56045	2.4
71.01266	8.9
73.02833	7.7
83.01280	1.6
85.02836	2.2
87.00784	1.8
89.02304	5.2
91.75133	0.9
97.02857	2.8
99.00779	22.7
101.02341	9.4
104.90463	0.8
109.02865	1.1
113.02357	2.0
122.03671	2.5
125.02377	4.8
126.02711	1.6
131.03423	1.6
134.02399	2.1
137.02330	1.2
149.02382	1.3
150.01974	2.2
150.03160	20.6
151.03802	0.9
161.02390	2.2
162.01901	1.8
170.76907	0.8
180.02969	5.0
191.05624	3.2
261.35760	0.9
289.07162	2.1
290.07565	1.5
408.08258	2.0
464.79645	1.0
492.13763	8.2
493.14148	0.9
534.14764	100.0
535.15094	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	578.3101
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	0.3
59.03003	0.3
65.09350	0.3
71.04922	0.3
71.59370	0.4
78.95796	8.8
106.79209	0.3
119.04944	0.6
127.11175	0.4
130.79877	0.3
140.01126	3.8
145.02919	0.4
150.10387	0.5
151.11183	0.4
152.99561	0.8
153.12785	5.8
155.14368	0.7
163.03984	0.3
163.11237	1.0
165.09241	0.3
165.12816	5.2
170.05820	1.5
179.10745	3.4
181.12309	20.5
182.12599	1.0
192.11537	0.6
195.10274	0.7
196.03804	1.7
197.11839	2.9
199.13383	100.0
200.13712	5.4
214.04845	4.0
215.12880	4.0
231.97787	0.3
271.02679	0.6
300.02829	1.3
306.21042	0.5
319.68076	0.3
345.24417	0.5
363.25427	5.0
364.25989	0.7
381.26566	3.7
396.18005	25.9
397.18402	2.1
405.89423	0.3
434.35742	0.3
578.31158	43.4
579.14124	0.6
579.31476	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	578.3115
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72672	0.4
61.67066	0.4
61.99757	0.3
66.05721	0.4
67.41692	0.5
69.45835	2.9
70.55433	0.4
76.88418	0.4
78.95794	13.5
84.86369	0.4
85.12031	0.4
87.54639	0.5
96.95905	1.5
109.06488	0.8
122.00071	0.6
133.02892	1.3
134.03677	0.7
135.04436	1.8
137.02377	0.6
137.06039	0.6
138.06827	0.8
140.01129	4.8
149.06012	0.8
151.00366	0.6
151.07582	1.3
151.09274	0.4
151.11215	0.5
152.99538	1.1
158.72728	0.4
161.02409	6.2
164.08362	0.6
170.05772	4.2
178.02739	0.4
179.03406	0.9
192.11493	1.2
196.03708	2.6
214.04861	5.7
218.10133	0.4
233.19116	2.2
235.20648	2.2
239.16512	0.9
247.09840	1.9
249.18970	0.4
251.20190	10.8
252.20543	0.9
259.17072	0.9
261.18671	0.7
267.19754	0.6
269.04364	0.5
271.02707	1.0
271.05896	0.5
277.18152	85.4
278.18491	7.4
279.19717	33.8
279.22928	0.8
280.20084	3.1
295.19211	100.0
296.19537	8.5
300.02936	2.3
331.15576	11.7
345.24561	0.9
363.25510	16.1
364.25787	1.9
381.26581	7.0
396.98657	0.4
435.93488	0.5
455.10663	0.4
492.23810	19.7
493.24246	2.3
578.31116	63.2
579.13806	0.9
579.31427	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	577.2702
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66459	0.3
59.01266	16.9
63.96119	1.1
69.03355	0.7
69.29237	2.8
71.01273	7.2
72.99171	0.4
73.02835	1.3
77.75704	0.3
78.95800	6.5
78.98485	5.2
79.95627	11.6
80.96410	68.3
81.03355	0.6
81.96356	0.4
82.94323	0.4
85.02838	2.6
87.00786	1.9
94.97986	12.1
95.01292	0.6
96.95910	1.0
97.02857	1.3
99.00793	0.5
101.02323	2.2
106.97995	2.8
115.04608	0.2
122.97498	3.1
125.02375	3.1
127.03931	0.6
134.97528	3.5
136.99066	1.8
146.97543	0.3
148.99084	5.7
152.98553	5.0
152.99577	1.5
164.98581	10.8
165.98947	0.3
167.00113	0.4
168.04300	1.3
176.98579	0.4
188.98593	0.9
206.99728	2.6
224.06944	0.9
225.00740	12.5
226.00995	0.3
242.08014	2.3
277.21808	1.6
279.23349	100.0
299.04520	4.8
457.24921	0.3
504.31104	35.8
577.27014	88.6
578.27319	16.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.27
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01259	0.5
60.12267	0.2
63.96122	0.6
69.03310	0.4
69.91096	0.6
69.91494	0.9
70.14574	0.2
71.01270	6.2
73.02831	1.3
73.78838	0.2
78.98482	5.0
79.95624	8.4
80.96408	57.9
81.03338	0.8
85.02831	2.3
87.00771	2.3
94.97983	14.5
95.01281	0.3
96.95905	1.0
97.02843	1.8
97.78185	0.3
98.19843	0.3
99.00792	0.5
99.04412	0.4
101.02352	2.2
106.97998	2.4
113.02354	0.5
122.97495	4.4
125.02367	2.2
126.06660	0.2
127.03897	0.8
134.97491	3.4
136.99048	1.0
146.97502	0.4
148.99086	4.8
152.98570	5.3
158.08998	0.2
159.76135	0.3
164.98575	9.9
165.37315	0.3
167.00143	0.3
182.99660	2.1
187.14363	0.2
194.10274	0.2
206.99628	2.7
225.00743	15.7
226.00882	0.5
243.01900	1.3
252.60075	0.2
277.21796	2.0
278.21945	0.3
299.04495	2.5
577.26971	100.0
578.27277	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	577.2303
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01768	0.5
55.47401	0.4
57.03331	0.4
58.00492	0.6
59.01266	53.2
60.01621	0.5
60.89119	0.4
61.98711	0.9
69.03346	0.9
69.98393	0.3
71.01273	22.3
71.21866	0.6
72.99205	1.5
73.02837	22.2
75.00772	0.9
78.95798	0.5
83.01276	7.7
85.02851	2.7
87.00790	1.0
88.98686	0.4
89.02338	6.3
95.01295	0.7
97.02836	0.6
99.00778	0.6
99.04459	0.4
101.02351	25.1
102.02652	0.5
103.03899	0.4
113.02355	11.1
119.03437	3.9
121.02872	0.7
125.02364	1.3
131.03421	2.6
133.02914	0.4
134.03625	0.4
135.04449	14.5
136.04774	0.8
139.33630	0.4
143.03429	3.5
146.03654	0.5
148.05208	0.4
149.04501	3.1
149.05971	0.7
155.03391	0.7
161.02405	0.8
161.04503	8.3
163.03958	100.0
164.04343	4.4
175.03940	0.4
177.05554	0.6
178.06320	77.5
179.05461	0.8
179.06892	6.3
193.08681	86.0
194.09012	5.0
196.64853	0.3
203.05560	0.8
206.05820	0.7
221.06628	1.5
239.09447	0.4
298.01398	0.4
308.09152	0.5
323.11398	1.4
341.12494	4.1
342.13074	0.5
383.13403	0.8
445.36060	0.4
517.20502	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1575
Annotation	Kaempferol 3-rhamnoside-(1->2)-rhamnoside
Peak:m/z	Relative Intensity
59.01267	2.8
61.98724	0.7
63.02289	0.4
65.00208	0.5
66.21989	0.3
66.36665	0.4
70.48566	0.8
70.48951	0.6
72.99203	0.3
73.02852	0.6
75.00764	0.3
83.01269	0.7
85.02867	0.9
87.00758	0.4
89.02340	1.6
89.73331	0.4
90.10870	0.3
101.02335	1.1
107.01302	0.8
109.02902	0.4
113.02383	0.8
117.03363	0.4
119.03399	0.8
119.04944	0.8
131.03448	0.4
132.02086	1.0
133.02898	1.2
134.03650	0.4
135.00790	0.8
135.04485	2.1
145.02890	2.1
149.04582	0.5
151.00337	2.4
160.01666	0.4
161.02396	6.0
163.00365	0.6
163.03993	0.6
164.01129	0.7
165.05566	0.8
175.03960	0.6
178.99834	1.2
179.03444	1.0
183.04427	0.7
185.02292	0.4
185.06036	0.5
187.03995	0.5
199.04102	0.5
201.11362	0.5
203.03514	0.6
211.03972	1.4
227.03502	35.1
228.03906	3.2
229.05045	1.8
239.03496	0.6
241.01424	0.5
241.05133	0.5
245.00888	0.4
255.03032	63.7
256.03564	8.6
257.04596	1.4
270.02112	0.4
271.02539	0.9
283.02490	1.0
284.03329	100.0
285.03931	19.7
286.04431	1.2
298.01270	0.5
299.01935	1.0
301.03476	0.4
315.05029	0.5
392.12311	1.7
392.62396	2.2
393.12436	0.5
413.08786	1.1
473.67831	1.7
474.17712	0.7
489.27185	1.0
495.67050	0.4
554.17462	0.4
577.15759	73.1
578.16150	12.8
578.24475	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2148
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71211	0.3
54.55107	0.4
55.01764	2.6
55.11470	0.4
57.03329	3.4
58.00477	4.3
59.01263	88.1
60.01591	0.9
68.99686	0.4
69.03342	1.1
69.65626	2.2
71.01269	100.0
72.01604	1.1
72.99192	5.7
73.02836	7.3
81.03345	0.4
83.01277	10.9
83.75378	0.4
84.02068	0.5
85.02841	38.6
86.03208	0.8
87.00773	5.2
89.02335	87.9
90.02689	1.5
95.01279	10.8
97.02844	2.8
98.19713	0.4
99.00784	5.7
101.02344	51.4
102.02692	1.1
111.00761	0.6
113.02354	91.1
114.02684	2.3
119.03414	26.2
120.03713	0.5
125.02364	6.9
129.01851	0.5
131.03423	18.7
132.03725	0.5
133.02896	0.5
134.03667	0.8
135.04408	0.8
136.40295	0.5
137.02438	0.4
139.00223	0.7
143.03435	14.7
144.03731	0.5
149.04494	24.0
150.04865	0.6
159.02968	0.4
161.02371	0.9
161.04498	36.4
162.04851	1.2
179.05573	23.6
180.05869	0.8
191.05583	19.5
192.05978	0.9
217.08705	0.8
233.06673	30.2
234.06940	1.5
241.05090	0.5
247.09920	0.8
255.24214	0.4
256.07504	0.7
264.35980	0.4
275.07828	0.4
283.11841	2.5
293.08917	2.0
295.74792	0.4
311.09988	0.9
415.16180	51.7
416.16541	5.9
445.17227	46.1
446.17593	6.0
577.21497	46.4
578.21790	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	577.2148
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01767	2.5
57.03338	3.7
58.00484	4.1
59.01266	86.1
60.01603	1.5
66.56142	0.3
68.99734	0.5
69.03338	1.2
71.01272	100.0
71.59033	0.5
71.59437	0.5
72.01612	1.5
72.99197	5.6
73.02836	8.2
75.00777	0.5
81.03343	0.5
83.01279	12.0
83.01779	0.7
84.02056	0.8
85.02846	43.9
86.00004	0.6
86.03188	0.8
87.00770	6.3
89.02340	93.9
90.02682	1.4
93.03383	0.5
95.01288	12.5
96.95913	0.5
97.02869	2.7
99.00783	7.6
101.02348	53.1
102.02690	1.4
107.03478	0.4
112.01548	0.4
113.02358	94.9
114.02724	2.6
119.03417	28.8
120.03793	0.7
125.02366	6.9
129.01868	0.4
131.03430	20.3
133.02901	1.1
134.03648	0.9
135.04469	0.9
137.02419	0.9
139.00296	0.6
143.03438	17.4
144.03813	0.8
149.04500	29.0
150.04816	0.6
159.02911	1.2
161.04503	42.9
162.04828	1.5
173.04581	0.3
179.05580	30.2
180.05943	1.4
184.04565	0.3
189.02011	0.4
191.05588	23.0
192.05913	0.7
203.05603	0.6
217.08733	1.1
233.06676	38.9
234.07030	2.1
241.05168	0.7
247.09911	0.8
256.07425	1.0
275.07782	0.5
283.11963	2.6
293.08786	1.9
311.09802	2.0
415.16196	60.3
416.16516	7.7
445.17236	57.8
446.17529	8.1
577.21490	56.7
578.21869	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	577.1365
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88329	2.3
57.03344	11.8
71.01230	1.9
71.55881	1.8
71.56326	3.8
83.01284	7.1
95.04893	2.7
96.95900	1.9
109.02863	20.0
113.02394	2.0
118.97988	3.8
121.02867	3.8
122.03745	2.5
123.04436	16.4
124.04782	2.8
125.02372	100.0
126.02721	4.0
131.39351	2.1
133.02855	2.4
135.04460	4.5
137.02388	19.3
146.03679	2.1
146.41254	2.0
149.02374	6.9
151.03952	16.5
161.02396	28.7
161.06056	3.4
162.03009	2.2
163.04031	5.8
164.01115	5.8
165.01822	4.9
175.03973	8.5
175.88316	2.3
177.01910	6.3
179.03462	5.0
181.37270	2.4
185.06136	3.2
187.04010	6.4
188.04759	3.3
191.05656	2.8
198.37852	2.0
201.05664	3.1
203.07135	9.2
205.05026	5.8
227.03653	2.6
227.07516	2.6
229.04948	3.1
245.04578	5.7
245.08243	12.0
255.03127	9.1
256.03781	6.7
271.06296	2.3
273.04114	8.3
281.04379	2.7
285.04193	2.9
287.05670	8.1
289.07254	72.1
290.07593	4.7
299.05658	5.1
339.08762	3.8
372.35181	2.5
407.07779	72.9
408.08203	7.8
425.08771	27.0
451.10538	15.8
577.13660	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	576.3321
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98718	22.9
71.59099	0.5
77.00358	0.3
78.95802	6.8
80.96406	0.5
86.84602	0.2
96.74117	0.2
112.98438	0.3
114.93350	0.4
116.92863	0.3
117.96872	0.2
121.02875	3.6
122.03201	1.4
140.01131	2.5
152.99535	1.0
172.45195	0.4
191.03474	2.9
192.03847	1.8
196.03915	1.3
205.36150	0.2
214.04881	3.5
261.18546	0.5
277.21826	0.7
278.22079	0.3
303.27179	0.4
305.21448	0.4
307.19260	0.3
347.21854	0.6
347.26001	9.9
348.26199	1.4
349.27521	0.4
379.28619	100.0
380.28973	11.5
380.33997	0.3
386.65280	0.3
507.46896	0.3
513.58911	0.3
514.88629	0.3
533.68640	0.3
558.03217	0.3
576.33185	13.9
577.26434	0.6
577.34094	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	577.1367
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03337	12.3
71.27332	1.0
71.27658	1.2
76.49368	0.7
81.03355	2.3
83.01294	4.4
87.22021	0.6
89.34294	0.6
93.03358	1.9
95.01283	0.7
95.04939	2.1
96.69672	0.6
96.95925	0.7
97.02845	3.4
101.02331	0.7
105.39162	0.6
107.04954	1.4
109.02863	19.4
109.45354	0.6
117.03410	0.9
118.97945	0.8
121.02871	2.9
123.04435	13.6
125.02372	100.0
126.02741	3.0
131.04967	1.3
133.02907	3.2
135.04454	2.4
137.02374	17.7
139.03941	3.4
145.02856	0.9
146.03722	0.7
147.04498	0.8
149.02400	4.6
150.03137	2.2
151.02820	1.0
151.03966	12.4
159.04480	3.2
160.05214	0.8
161.02400	25.2
161.06000	4.9
162.03040	2.7
163.00317	1.4
163.03964	2.6
164.01093	4.0
165.01921	4.1
167.03455	1.6
173.06004	1.2
174.03171	0.8
175.03975	8.5
175.07634	1.5
177.01904	4.6
177.05540	1.4
178.02621	1.0
179.03444	4.5
185.06055	1.5
187.03979	6.7
188.04739	2.7
189.01884	0.8
189.05519	0.9
191.05641	1.5
193.05063	1.0
199.03995	0.8
199.07658	0.6
201.05542	1.7
202.06332	1.6
203.03523	1.7
203.07124	10.1
205.01396	2.2
205.05043	7.1
211.04041	1.2
212.04633	0.9
213.05534	1.1
215.03584	1.7
217.04984	1.1
221.08253	1.4
227.03473	1.6
227.07176	1.0
228.04243	0.7
229.05150	2.7
230.05634	1.1
231.02969	0.7
241.04994	0.8
243.02927	2.2
245.04550	6.3
245.08218	12.5
246.08476	0.9
247.06075	1.7
255.03056	7.1
255.05646	0.9
255.06560	0.6
256.03748	4.9
257.04489	1.6
269.04544	1.9
271.06232	1.3
273.04074	5.4
281.04703	3.4
283.02570	2.0
284.03143	0.8
285.03998	1.8
286.04657	1.0
287.05707	13.1
289.07254	80.2
290.07541	7.3
297.04144	1.2
297.07782	1.0
299.05713	6.7
300.06268	0.9
329.06802	1.8
339.08820	4.1
341.06647	0.8
381.09918	2.8
389.06845	0.9
407.07782	65.8
408.08139	9.9
425.08868	31.6
426.08914	4.1
449.08749	0.8
451.10486	19.2
452.10800	3.3
467.54630	0.6
535.52588	0.7
559.12335	1.0
577.13550	10.9
578.14130	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.304
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66777	0.2
59.01258	0.8
60.45441	0.1
61.98717	100.0
62.98438	0.3
71.58595	0.1
71.59027	0.2
76.73106	0.1
81.85397	0.2
96.42501	0.2
113.66937	0.2
128.64133	0.2
142.19609	0.2
253.09517	0.2
254.09653	0.4
255.09880	0.4
256.10190	0.3
270.92117	0.2
277.21826	1.5
278.22116	3.3
279.22415	2.0
280.22720	1.1
367.68402	0.2
451.03696	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3321
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	21.8
59.74436	0.1
60.01636	0.1
66.95004	0.1
70.51440	0.3
70.51830	0.2
71.01277	0.3
75.27542	0.1
78.95795	7.7
79.00139	0.1
81.52403	0.1
81.67688	0.1
83.04919	0.2
95.97600	0.1
96.96903	0.2
127.07642	0.1
135.92291	0.1
137.53175	0.1
152.99527	1.8
168.04254	1.7
171.00655	0.3
177.09233	0.2
203.78542	0.1
224.06912	1.0
233.22865	0.4
237.54770	0.1
242.08029	3.1
243.08452	0.2
259.20880	0.7
275.20227	0.4
277.21780	100.0
278.22134	9.2
478.74976	0.1
502.29526	35.1
503.29889	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	576.3038
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63988	0.2
56.38891	0.2
59.01269	1.3
60.01612	0.2
61.98719	100.0
62.98402	0.2
69.99467	0.4
69.99874	1.0
94.26836	0.2
164.38309	0.2
243.46362	0.3
253.09451	0.5
254.09625	0.4
255.09903	0.6
256.10080	0.3
277.21756	2.7
278.22119	4.4
279.22391	2.6
280.22687	1.6
458.57874	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.3452
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09256	0.2
55.01777	0.2
57.20925	0.2
58.00494	0.2
59.01265	13.5
59.67760	0.2
62.27995	0.2
62.79426	0.3
71.01270	3.1
71.50964	0.4
73.02835	0.8
78.95788	1.3
83.01255	0.3
85.02850	0.6
87.00791	0.5
89.02336	2.4
91.31509	0.3
98.19722	0.2
101.02348	3.0
107.44414	0.2
113.02351	1.5
119.03396	0.9
126.21969	0.2
133.04991	0.4
135.04457	0.6
143.03479	0.3
161.04486	1.1
173.24481	0.2
179.05565	0.4
194.32877	0.2
233.27844	0.3
235.08302	2.0
252.99670	0.3
253.09341	13.6
254.09660	0.6
262.89240	0.3
279.23352	100.0
280.20718	0.5
280.23706	9.1
315.10873	0.5
379.28876	0.3
391.98563	0.3
440.98227	0.3
575.31873	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.345
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	0.4
57.03321	0.2
59.01265	15.1
69.28672	1.8
71.01270	2.8
73.02821	0.7
83.01291	0.5
85.02845	0.7
87.00742	0.5
89.02327	1.9
101.02348	2.7
103.03916	0.2
113.02355	1.2
115.03929	0.3
115.98610	0.2
119.03422	0.6
133.04985	0.2
133.22197	0.2
143.03438	0.3
154.24651	0.2
161.04489	1.3
179.05505	0.3
194.07439	0.2
235.08226	1.7
253.09315	14.0
254.09700	0.5
279.23346	100.0
280.23703	9.5
315.02515	0.2
382.63028	0.2
515.31921	0.3
555.47345	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.2153
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03344	0.3
58.00478	0.4
59.01263	7.8
59.09457	0.1
61.98721	0.5
65.44143	0.1
67.10717	0.1
70.45371	0.1
71.01267	3.4
71.59060	0.2
71.59439	0.2
72.99203	0.5
73.02834	0.7
83.01246	0.4
85.02847	0.8
87.00769	0.6
89.02339	3.8
89.03876	0.3
93.03364	0.2
95.01311	0.2
96.95914	3.7
96.96564	0.2
96.96873	0.4
99.00770	0.2
101.02345	3.5
113.02368	1.3
115.03950	0.2
117.03377	25.2
118.03716	1.2
119.03472	2.7
119.04937	11.3
120.05271	0.6
125.02401	0.3
131.03435	0.4
133.02859	0.6
135.04483	0.4
143.03444	0.4
145.02887	100.0
146.02063	0.3
146.03226	4.7
149.05991	0.4
161.02364	1.5
161.04503	0.2
162.02751	0.4
163.02715	0.2
163.03969	2.9
163.06062	0.3
179.03409	0.4
179.05516	0.3
180.98506	0.1
191.05611	0.2
203.03383	0.2
205.07162	0.3
217.08664	0.7
283.12054	0.4
353.23526	0.2
355.46710	0.2
392.12433	0.2
392.62213	0.2
413.16345	0.2
429.17819	1.1
473.20358	0.3
515.21722	0.2
515.29303	0.2
575.21423	19.3
576.21863	3.3
576.31073	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.1991
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00492	0.3
58.15510	0.2
59.01266	5.7
61.98713	0.4
69.50986	1.5
69.51394	0.4
70.64992	0.2
71.01273	3.1
72.99212	0.3
73.02823	0.5
77.03848	0.2
78.06631	0.2
83.01264	0.3
85.02863	1.1
87.00730	0.2
87.15011	0.2
89.02347	2.2
100.94741	0.2
101.02350	2.4
105.03375	0.3
112.28902	0.2
113.02380	1.4
116.30328	0.2
117.03373	0.2
119.03387	1.1
123.04486	0.3
125.02370	0.2
131.03445	0.3
132.02101	1.7
133.02882	34.7
134.03166	1.5
135.04465	5.2
137.02368	0.3
143.03510	0.3
147.04454	0.3
149.05991	0.3
151.03889	0.2
159.04478	0.4
161.02391	100.0
162.02730	5.1
173.06030	0.8
175.03758	0.2
177.05531	0.3
179.03458	1.6
187.03979	0.4
187.07623	2.9
199.09804	0.3
201.05569	0.8
202.06343	4.5
203.03368	0.4
203.06772	0.3
216.07997	0.3
231.10281	4.4
232.10768	0.3
242.59035	0.2
249.11400	0.6
341.08963	0.4
345.13812	0.2
357.13348	0.4
375.14383	0.2
393.15460	0.4
411.16708	5.0
412.17111	0.8
437.14645	3.2
473.52921	0.2
476.13165	0.2
555.18896	0.6
572.69525	0.3
573.19897	47.7
574.20215	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	573.3291
Annotation	Unknow
Peak:m/z	Relative Intensity
55.94666	0.4
56.61168	0.5
59.01263	15.6
61.98695	0.9
69.28911	0.4
70.15339	1.6
71.01270	5.0
73.02829	0.8
76.70507	0.5
78.95802	2.7
81.65926	0.5
85.02850	1.2
87.00762	0.6
89.02339	6.5
91.85834	0.5
96.95914	5.4
101.02351	6.7
113.02377	3.3
119.03404	2.1
139.36745	0.5
143.03412	0.7
145.02902	0.7
159.55000	0.4
161.04498	2.4
213.21622	0.5
235.08134	0.7
252.99864	0.7
253.09320	27.1
254.09642	1.9
277.21780	100.0
278.22110	10.8
351.79727	0.5
400.89996	0.5
446.72028	0.5
573.25659	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.215
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08606	0.1
58.00475	0.2
59.01263	7.5
61.98717	1.0
69.61868	1.1
71.01269	3.3
72.01640	0.1
72.99200	0.5
73.02835	0.7
83.01259	0.4
85.02850	0.9
87.00789	0.6
87.04419	0.2
89.02338	3.8
95.01279	0.2
96.95897	0.4
97.69415	0.2
99.00780	0.2
101.02347	3.2
104.30274	0.1
113.02364	1.4
115.03883	0.2
117.03378	24.5
118.03694	1.0
119.03492	2.6
119.04939	11.7
120.05276	0.5
121.02893	0.2
125.02399	0.3
131.03461	0.4
132.95950	0.1
133.02892	0.7
135.04453	0.4
135.58379	0.2
139.11287	0.2
143.03458	0.5
145.02888	100.0
146.03226	4.6
147.04430	0.2
154.02740	0.1
161.02390	1.8
162.02762	0.2
163.03958	3.1
163.05998	0.3
172.88812	0.1
179.03510	0.3
179.05534	0.3
181.03328	0.3
183.10229	0.2
191.05595	0.4
205.07121	0.5
206.99854	0.3
217.08705	0.6
283.11954	0.4
313.42596	0.2
353.23413	0.6
357.30258	0.1
392.11932	0.2
429.17712	0.9
451.51721	0.2
473.65646	0.1
575.21448	19.3
576.21863	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	573.1999
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86829	0.2
52.58213	0.2
53.72419	0.2
55.01771	0.3
57.03342	0.4
59.01269	5.6
61.98710	0.8
69.45992	1.0
69.46419	0.9
71.01267	4.1
71.01620	0.4
72.99187	0.3
73.02847	0.6
77.03830	0.2
78.36941	0.2
81.18948	0.2
83.01275	0.4
85.02833	1.2
87.00766	0.3
89.02334	2.3
93.89021	0.2
95.01333	0.3
101.02343	2.3
101.19580	0.2
105.03378	0.8
107.04909	0.3
113.02358	1.8
117.03413	0.7
119.03452	0.6
121.02859	0.5
123.04458	0.3
125.02364	0.2
132.02094	2.1
133.02879	34.4
134.03766	1.0
135.04448	18.9
136.04784	0.8
137.02370	0.4
146.03702	0.4
147.04442	0.4
148.05261	0.3
149.05974	0.5
150.62672	0.3
161.02388	100.0
162.02724	5.7
163.07556	0.4
173.06075	0.6
175.03987	0.6
177.05545	0.6
179.03464	14.0
179.07048	0.6
180.03789	0.7
183.10275	0.3
187.04012	0.4
187.07610	3.1
189.05553	0.3
201.05573	0.7
202.06329	5.0
203.03545	1.3
203.06721	0.3
216.08092	0.2
219.10423	0.3
220.07396	0.5
221.04533	0.6
231.10281	3.8
231.43976	0.2
249.11342	0.8
281.06873	0.3
285.04376	0.3
287.02170	0.2
323.07828	0.3
341.09152	0.6
351.21786	0.4
375.27393	0.3
392.12228	0.3
393.15732	1.4
411.16626	3.8
412.17145	0.4
437.14310	0.5
463.21347	0.3
509.07288	0.2
531.28070	0.4
531.79962	0.2
555.18970	1.4
572.68884	0.4
573.19897	68.3
574.20209	11.9
574.29608	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.1671
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	1.7
61.98724	4.5
63.96137	0.3
69.97771	0.6
71.01269	1.9
72.99170	0.2
73.02833	0.5
75.00761	0.2
78.98476	0.8
79.95628	100.0
80.95619	0.4
80.96410	13.1
81.03364	0.2
83.01291	0.2
85.02854	0.7
87.00777	0.7
89.02335	0.7
93.97190	0.3
94.97976	1.9
95.01307	0.3
96.95904	1.1
97.02864	0.5
101.02340	1.2
106.98020	0.4
107.21849	0.2
111.94634	4.0
111.95358	0.3
112.95374	0.2
113.02345	0.5
119.03482	0.2
119.04984	0.2
122.97511	1.6
125.02383	1.2
128.72284	0.2
133.02892	1.6
134.97488	1.5
135.04466	1.1
136.99083	1.4
148.99066	0.8
149.05998	0.2
152.98573	1.6
153.01891	0.2
154.71960	0.2
161.02399	4.3
161.04460	1.4
162.02763	0.3
164.98605	1.5
179.00162	0.7
179.03452	0.8
182.99658	0.5
186.72409	0.2
188.98663	0.2
197.01280	0.6
203.03426	0.3
206.99673	1.8
223.99922	0.7
225.00752	6.7
241.00259	4.9
243.01819	1.3
255.02882	0.3
281.03491	0.2
281.06519	0.2
298.03717	0.8
298.06677	0.2
299.04510	4.0
315.04056	0.9
330.02673	0.7
341.05429	0.3
341.08945	0.3
357.04980	0.3
371.06555	1.3
385.08154	1.1
392.12289	0.3
399.09714	3.0
400.10324	0.3
411.16846	0.2
411.23828	0.8
413.11420	0.9
425.14685	0.2
427.13013	1.1
441.14426	4.7
441.20609	0.2
442.14420	0.4
474.14307	1.3
476.13144	0.3
481.17554	1.1
483.15399	0.3
497.17175	2.1
498.17474	0.2
509.16943	1.0
525.16553	2.7
526.17255	1.7
531.28180	0.4
571.26392	0.2
571.76074	0.7
572.16846	2.3
572.25665	0.3
573.19519	1.3
573.28925	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.2621
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01774	3.7
57.03331	3.5
58.00460	1.7
59.01270	38.7
61.98718	3.6
68.99684	0.8
69.03329	1.5
71.01273	53.1
71.56637	0.7
72.01591	1.0
72.99199	3.7
73.02840	23.2
75.00766	1.2
83.00815	0.9
83.01280	13.2
85.02847	28.1
85.99967	1.1
87.00778	4.4
89.02341	20.0
95.01286	5.1
96.95872	1.7
97.02881	2.9
99.00178	0.8
99.00787	12.5
101.02351	54.6
102.02693	1.0
107.04902	0.6
111.00792	1.0
112.01602	3.5
113.02358	25.2
115.11232	1.0
117.03330	1.1
119.03445	4.3
119.04944	1.2
121.02814	1.5
122.03622	1.1
123.04419	1.5
125.02383	5.2
129.01814	1.7
131.03426	1.4
132.01997	0.5
133.02901	7.2
134.03653	0.6
135.04471	7.0
137.02402	1.0
143.03436	3.7
145.02870	1.0
146.02013	0.5
149.02344	2.5
149.05978	2.1
150.03188	5.7
159.02948	4.0
160.01535	0.5
161.02364	17.8
161.04480	16.9
162.02734	1.4
165.05495	3.6
166.05882	0.8
177.01811	0.8
177.05600	0.7
179.03438	3.0
179.05614	1.5
185.11800	0.6
187.03961	0.6
191.05606	0.7
195.06621	2.8
203.03365	0.7
205.03566	0.8
209.04517	0.9
211.13426	2.7
247.09749	1.2
277.16611	30.5
278.16803	2.3
343.12012	3.7
373.26062	0.6
378.11609	0.7
384.12341	1.4
384.62708	0.9
409.20871	97.3
410.21262	10.9
439.21921	27.8
440.22482	3.4
481.16187	0.9
493.01099	0.7
547.18414	2.3
547.68323	1.9
548.18604	0.6
571.26288	100.0
572.26819	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	570.3509
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30620	0.1
59.01269	0.8
61.98718	100.0
62.98424	0.3
69.81430	0.7
71.01292	0.3
73.02834	0.3
85.02846	0.2
89.02325	0.2
101.02392	0.3
113.02377	0.1
119.03442	0.1
119.04973	0.1
133.02872	0.2
135.04420	0.3
161.02357	0.6
179.03510	0.2
217.06728	0.1
222.35155	0.2
323.29242	0.1
392.12646	0.1
510.36569	0.6
570.25134	0.2
570.75275	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.2261
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01767	1.8
57.03327	2.2
58.00486	1.5
59.01266	78.8
60.01601	2.5
61.98719	100.0
69.03349	1.6
71.01274	29.3
72.01605	1.5
72.99205	1.5
73.02832	9.6
78.95786	2.6
81.03342	1.1
83.01293	5.9
83.04922	1.4
83.72961	1.0
85.02840	17.3
85.19102	1.0
85.59808	1.0
86.03176	1.8
87.00748	3.1
88.98717	1.3
89.02338	12.3
95.01270	2.7
97.02837	3.7
99.00759	4.3
99.14951	1.1
101.02346	30.9
102.02682	2.6
107.97805	1.2
109.06496	17.2
113.02367	13.4
114.02717	1.3
119.03445	1.9
123.04459	1.5
125.02376	2.8
129.01808	1.2
133.02873	2.6
135.04440	4.2
135.08098	2.7
143.03485	1.7
149.05949	1.4
152.15334	0.9
159.02870	3.5
161.02385	7.4
161.04500	12.3
162.04832	1.7
163.09895	1.4
163.11232	9.2
171.10135	1.8
179.03369	1.3
179.05515	1.6
181.12239	1.9
189.09164	1.1
207.10263	70.2
208.10558	4.3
209.11949	1.4
225.11331	26.8
226.11694	1.9
253.09306	17.9
299.15045	1.4
343.25110	2.6
345.30176	7.7
346.30536	3.6
392.12244	1.6
406.78839	1.2
436.24329	1.1
461.20389	24.7
462.20816	4.2
477.46075	1.2
507.35477	54.1
508.35831	68.9
509.36044	5.0
567.36737	1.2
568.33203	2.4
569.24701	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	568.3353
Annotation	Unknow
Peak:m/z	Relative Intensity
58.26822	0.1
59.01260	1.8
60.01614	0.1
61.98717	100.0
62.98416	0.3
71.01280	1.0
71.56976	0.2
72.01611	0.2
73.02853	0.4
83.01311	0.1
84.15948	0.1
85.02859	0.5
85.60978	0.1
87.00794	0.2
88.98704	0.1
89.02345	0.4
91.70009	0.1
95.01331	0.1
99.00800	0.2
101.02374	0.6
113.02414	0.4
119.03425	0.1
121.02828	0.2
125.02402	0.5
130.08473	0.1
133.02879	0.6
135.04475	1.1
136.01604	0.1
137.02385	0.2
149.06023	0.1
151.00356	0.2
151.03835	0.1
161.02396	2.3
161.04495	0.2
177.02020	0.6
179.03529	0.5
200.01256	0.3
200.90800	0.1
203.03603	0.3
253.05151	0.2
287.22314	0.2
288.22766	0.3
301.03534	0.2
371.24622	0.3
392.12296	0.6
392.62360	0.1
418.42657	0.1
422.64859	0.1
449.27646	0.3
450.27924	1.1
476.29608	0.2
494.30618	0.2
507.34927	0.3
508.34753	0.9
568.31390	0.2
569.24731	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.3765
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07908	1.0
55.01770	1.7
57.03339	1.8
59.01266	71.5
61.98716	60.4
71.01270	28.9
72.56374	1.0
72.99199	1.9
73.02846	10.0
78.95775	1.4
80.91698	1.1
83.01276	4.3
85.02845	15.1
87.00770	1.8
88.98689	2.1
89.02336	8.2
95.01296	2.0
98.19793	3.2
99.00787	2.8
101.02352	20.1
109.02903	1.4
111.00806	2.0
113.02351	12.2
119.03443	2.3
122.03682	1.0
125.02319	3.2
133.02867	1.7
135.04425	3.8
137.02335	1.9
141.01659	1.9
143.03430	1.3
145.02925	1.1
149.02361	1.2
149.55492	1.0
159.02887	2.2
161.02408	7.8
161.04475	11.3
179.03421	2.4
196.21835	1.2
299.25760	1.7
345.30118	6.5
487.16388	1.2
507.35461	100.0
508.35873	17.6
531.28247	4.2
567.24976	1.8
567.35120	4.5
568.22998	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	567.3763
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42920	0.6
52.94621	0.7
55.01759	2.2
57.03331	2.7
57.43439	0.6
59.01266	42.8
59.46681	0.6
60.01578	0.8
61.01715	0.7
61.98717	18.2
68.73942	0.6
69.84964	4.3
71.01271	23.7
72.99163	0.6
73.02834	9.6
78.95786	3.0
79.35918	0.6
83.01283	5.1
85.02843	12.5
85.99969	0.7
87.00775	1.4
88.98686	1.0
89.02344	2.9
95.01263	2.0
97.02844	1.0
98.19641	0.7
99.00791	4.8
101.02351	21.1
111.00787	2.8
113.02358	10.5
119.03402	1.0
125.02313	1.4
133.02882	1.5
135.04424	1.3
159.02939	2.7
161.02379	2.9
161.04520	7.3
179.03502	1.3
261.49628	0.8
345.30124	7.0
346.30402	1.6
453.68173	0.9
458.14075	0.7
507.35492	100.0
508.35800	16.3
510.48184	0.7
567.26782	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.376
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31699	0.7
55.01768	1.3
57.03340	1.7
59.01266	42.0
61.98420	1.1
61.98718	14.8
70.25967	0.7
71.00896	1.4
71.01273	24.3
71.27847	1.0
71.28174	1.0
72.99190	1.6
73.02838	8.9
74.92035	0.7
78.95793	1.3
83.01313	3.9
84.96514	0.7
85.02843	14.2
87.00783	1.1
89.02341	4.4
95.01293	3.0
97.02836	1.2
99.00785	2.2
101.02352	18.5
102.02618	1.0
104.53479	0.8
111.00787	1.7
111.64988	0.7
113.02354	10.1
119.03385	0.9
124.97314	0.7
125.02438	0.9
133.02869	2.5
135.04442	2.3
143.03419	0.9
159.02913	1.9
161.02411	5.2
161.04504	5.6
203.03403	0.9
222.91138	0.8
251.23912	1.0
299.25955	0.8
334.62888	1.2
343.63077	0.9
345.30182	7.6
346.30380	1.3
392.12900	0.9
398.33896	0.8
453.17700	1.1
461.17627	1.0
461.67380	1.1
507.35458	100.0
508.35785	18.8
567.22577	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2306
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76733	0.5
55.01780	1.0
57.03334	1.1
58.00478	2.0
59.01265	39.9
61.98709	5.7
69.47651	3.8
71.01270	35.3
72.99188	2.6
73.02835	4.0
78.95800	6.8
81.52989	0.5
83.01279	2.3
83.90260	0.6
85.02851	8.9
87.00754	3.2
89.02338	44.3
90.02669	0.8
95.01307	2.7
96.96864	2.1
97.02869	0.6
98.20570	0.9
99.00778	1.9
99.04436	0.7
101.02346	22.8
108.82125	0.6
109.02874	0.6
111.00797	0.8
113.02353	15.3
119.03423	18.4
125.02360	1.8
131.03423	2.5
132.65242	0.5
133.02885	2.0
135.04448	18.2
137.02377	1.2
138.97987	0.9
143.03445	4.0
145.02861	1.0
149.04494	1.7
149.06039	1.6
150.03143	0.8
151.03918	1.4
159.02965	0.6
161.02411	6.1
161.04474	6.4
163.03955	100.0
164.04283	5.2
172.74139	0.6
177.05537	0.8
178.06317	81.3
179.03461	2.6
179.05438	10.0
179.06775	2.8
193.08679	73.9
194.05696	1.4
194.09016	4.7
202.06316	0.7
209.08180	5.0
209.11708	1.0
221.04605	0.7
237.07687	0.8
241.01236	1.0
269.10410	1.6
334.12421	1.2
341.08807	4.3
343.13065	0.9
343.28806	0.7
356.11105	1.8
371.13550	10.9
372.13898	1.3
461.17438	1.1
505.26541	1.3
505.33923	21.8
506.34174	2.8
535.19843	0.7
564.75421	1.4
565.28613	2.8
566.24231	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.3402
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	0.7
57.03324	0.9
58.00465	0.6
59.01269	7.4
60.99189	0.3
61.98718	9.3
69.03347	0.5
71.01271	10.6
72.99188	1.1
73.02834	3.3
81.03349	0.4
81.63544	0.2
83.01282	1.9
85.02843	5.0
85.99965	0.4
87.00764	1.1
88.98701	3.1
89.02345	2.3
95.01282	0.9
97.02860	0.3
99.00774	1.0
99.08087	0.4
101.02345	5.3
101.24174	0.2
103.03912	0.7
111.00780	0.7
113.02361	2.6
117.03391	0.3
119.03428	0.5
119.04917	0.3
121.10178	0.2
123.00794	0.2
124.01588	0.8
125.02333	1.3
125.27296	0.2
129.09149	0.4
133.02835	0.7
135.04456	0.7
135.06561	5.5
141.12761	0.6
143.03455	0.5
145.02872	1.6
147.08008	0.2
149.05936	0.4
161.02406	1.7
161.04509	0.4
162.02707	0.2
163.04010	0.5
177.01973	0.4
179.03474	0.5
239.20381	0.3
241.21898	0.3
269.21274	3.0
270.21451	0.3
285.20737	0.4
287.22351	23.6
288.22665	2.3
299.22388	0.3
329.23706	0.4
331.24939	0.4
431.26599	13.6
432.26950	1.8
449.27655	100.0
450.28018	13.3
475.29010	0.6
493.30444	0.4
507.34369	0.5
531.23090	0.3
531.28339	2.0
532.28741	0.4
567.25305	1.2
568.23682	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2097
Annotation	Unknow
Peak:m/z	Relative Intensity
56.24140	0.8
57.03286	0.9
59.00993	1.1
59.01268	16.0
61.98721	7.8
63.45704	1.0
69.03329	1.0
71.01276	8.4
71.57494	1.5
72.99206	1.1
73.02840	2.2
78.95823	0.8
83.01294	1.5
84.02033	1.1
85.02841	3.9
87.00773	2.4
87.01346	0.8
88.98685	1.3
89.02333	5.8
89.58643	0.8
91.85291	1.1
93.03364	5.5
95.01252	2.1
95.50431	1.0
99.00797	1.5
101.02364	7.6
107.04915	1.4
108.02114	1.5
109.02856	3.2
111.00782	1.2
113.02351	3.4
117.03352	1.3
119.03389	1.9
119.04917	2.2
119.53574	1.0
121.02871	25.4
122.03708	6.9
123.00759	1.4
123.04439	3.1
124.01583	2.0
124.97709	0.8
125.02350	2.2
132.02080	1.9
133.02878	7.2
134.03622	3.3
135.04442	32.3
136.00626	1.5
136.01591	14.3
136.04785	1.7
137.02377	6.0
139.00284	1.1
139.04019	1.2
145.02873	6.3
146.03630	4.1
147.04491	6.8
148.01575	1.8
149.01227	1.8
149.02390	35.7
149.05986	3.1
150.03177	12.2
151.00351	4.9
151.03949	15.7
152.01114	4.3
153.01801	1.4
153.05510	2.4
154.02614	2.7
159.04445	1.9
160.05231	1.7
161.02411	15.5
161.04510	1.4
161.05988	5.5
162.03201	4.8
163.03986	10.9
164.04768	9.3
165.05409	2.3
166.02678	10.7
167.03464	7.1
168.04199	1.7
168.58514	0.9
172.05232	3.0
173.06175	1.0
174.03215	2.5
175.03973	16.8
175.07613	1.4
176.04677	1.4
177.01932	1.7
177.05518	6.1
179.03470	10.4
179.07074	3.4
180.03868	1.1
181.05060	14.0
187.03929	2.0
189.05560	7.7
189.65193	0.8
190.06372	12.9
191.03421	2.7
191.07028	1.2
192.04218	1.1
193.05014	1.3
203.03485	1.0
205.05095	1.9
205.08687	3.0
206.05891	1.4
207.06615	3.1
227.03479	1.0
253.04916	1.2
255.02977	1.6
257.08121	1.1
279.06528	1.0
282.05579	1.7
283.06757	1.0
283.09644	4.2
284.03436	1.0
290.10947	1.1
293.08322	1.0
295.09943	1.3
299.08923	0.9
310.11960	1.3
311.09317	10.6
314.08121	1.3
315.08722	3.9
325.07141	2.2
325.10867	2.5
326.11615	8.5
329.10419	7.1
341.10251	1.4
341.13971	17.1
342.14371	1.8
343.12057	1.2
355.11789	3.0
356.12726	4.1
357.09674	3.6
357.13474	2.8
359.11514	1.4
369.13412	2.7
372.12280	1.8
373.13019	1.9
386.13797	6.4
387.14545	19.4
388.14786	1.8
418.14542	2.7
418.64862	1.0
462.10327	0.9
473.27307	1.9
490.16144	1.5
491.28680	2.1
505.18652	12.6
505.34097	2.4
506.19107	0.9
517.18866	6.1
518.19568	1.1
520.17566	1.5
535.19879	100.0
536.20117	16.2
547.19769	3.0
564.70459	1.4
565.21350	9.1
565.31714	1.5
566.19354	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2357
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01776	3.5
57.03345	5.7
58.00469	2.2
59.01264	100.0
60.01625	1.8
61.98721	25.0
62.09140	1.0
64.08783	1.1
69.03342	2.7
71.01270	64.0
71.59301	1.1
72.99203	7.9
73.02840	32.5
75.00755	7.2
75.80805	1.1
78.95784	7.5
81.03336	2.3
83.01283	14.7
85.02844	50.4
87.00778	7.5
87.04396	1.5
89.02342	23.2
90.02716	1.4
95.01279	5.0
96.95979	1.2
96.96838	2.4
97.02850	3.6
99.00787	6.4
99.04373	1.2
101.02348	51.9
113.02358	25.3
114.29284	1.1
115.03928	1.8
119.03407	9.7
119.04974	1.5
121.02875	1.4
124.01575	14.3
125.02384	8.0
131.03412	2.0
133.02864	4.6
135.04485	6.7
143.03444	13.5
144.03775	1.1
149.05997	4.6
150.37177	1.0
159.02954	4.7
160.01605	2.7
161.02464	12.7
161.04507	50.4
162.02718	2.4
162.04843	1.8
167.62801	1.0
175.03963	3.6
179.03377	3.6
179.05562	3.5
188.07092	1.4
191.05606	1.5
193.06558	1.4
203.03371	1.2
227.03516	7.3
235.08180	3.3
255.03023	13.1
256.03427	2.2
284.03339	24.6
285.03854	3.1
287.22287	1.9
297.17114	8.0
315.18207	46.8
316.18436	3.6
357.19260	19.9
358.19388	1.4
381.19464	1.4
392.12128	1.5
392.62479	3.4
443.22885	1.1
459.22556	28.5
459.29172	1.5
460.22751	3.1
461.23819	1.3
472.65704	2.2
477.23557	42.5
478.23825	4.1
503.25385	2.3
503.31827	6.7
519.24573	34.3
520.24884	4.0
521.33356	1.5
562.75903	5.9
563.14056	16.2
563.25055	8.9
563.31818	4.8
563.75867	2.1
564.14337	2.6
583.16547	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2722
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	1.5
58.00484	2.8
59.01268	57.9
60.01603	0.6
61.98740	1.7
67.01791	0.7
69.27313	7.1
70.91512	0.6
71.01270	43.5
72.01602	0.7
72.99210	2.4
73.02839	16.3
77.78313	0.7
83.01292	1.4
85.02857	5.6
87.00797	2.3
89.02343	84.7
89.73029	0.6
90.02659	1.2
95.01266	0.9
96.95926	0.9
98.19742	1.5
99.00786	27.3
101.02348	32.5
102.02705	1.2
107.01308	1.4
109.02872	1.3
113.01615	1.1
113.02351	8.5
115.03933	1.1
119.03427	5.3
119.04991	0.9
125.02390	3.5
131.03436	13.9
132.02107	1.3
133.02885	16.5
133.03827	1.2
134.03311	1.2
135.00847	0.9
135.04457	8.7
143.03398	1.5
149.04506	67.0
150.04927	1.3
151.00305	2.4
157.98566	0.8
161.02400	45.8
161.04341	3.7
162.02750	2.8
163.00346	1.1
163.03931	0.8
167.03433	1.2
177.01863	0.8
178.99791	0.9
179.03464	1.8
179.05563	1.2
187.03981	0.9
189.05556	1.8
191.05595	14.5
191.07329	0.8
211.03998	2.0
221.06664	6.0
227.03514	29.3
228.03899	2.7
229.05124	3.0
251.07794	9.6
255.03043	63.2
256.03528	8.7
257.04495	1.8
277.38278	0.8
283.02646	1.3
284.03339	100.0
285.03952	21.3
286.04507	1.3
293.08856	1.8
311.09763	3.9
357.09793	2.6
369.55087	0.8
383.10120	0.8
387.10928	1.4
399.07397	1.2
500.04865	0.7
503.25134	37.3
504.25510	6.0
519.15125	15.6
520.15417	1.9
563.14178	74.5
564.14557	15.8
579.25079	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1993
Annotation	Unknow
Peak:m/z	Relative Intensity
55.27037	0.7
56.22390	0.6
59.01269	3.6
70.84966	0.6
71.01276	2.5
71.58162	1.2
73.02830	1.2
73.46610	0.6
84.50301	0.6
85.02831	1.6
89.02341	2.2
93.07507	0.6
94.70551	0.6
96.95897	1.6
101.02337	2.1
101.50717	0.9
103.03886	0.8
113.02370	0.8
123.04452	0.8
133.02911	1.8
135.04417	1.5
149.02393	1.0
161.02414	4.9
161.04411	1.0
164.04736	74.4
165.05113	3.1
175.02388	0.8
179.07101	100.0
180.07442	6.0
191.05585	1.2
227.03441	0.9
255.02969	1.6
260.81482	0.7
266.29443	0.7
284.03305	1.5
341.12479	46.7
342.13046	4.2
361.05978	0.7
469.95178	0.7
490.87421	0.7
512.83264	0.7
562.66736	0.8
563.14362	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.163
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	1.1
60.99191	15.9
66.96946	0.5
69.54314	3.8
71.01258	1.3
72.99196	1.0
75.00762	0.9
78.00603	0.5
87.00763	1.0
88.00282	1.8
88.32140	0.4
88.98698	100.0
89.02341	3.3
89.99045	1.0
89.99714	0.4
90.01841	0.7
90.85220	0.5
95.01332	0.5
101.02371	0.5
117.76345	0.5
135.04466	1.0
149.06018	15.0
150.06389	1.5
161.02370	1.8
174.85564	0.6
175.02516	0.5
214.37737	0.5
311.11386	4.8
312.11725	0.7
330.64774	0.6
487.07309	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1992
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	4.8
57.03339	5.1
58.00482	4.4
59.01266	61.7
60.01603	0.9
63.71377	0.4
66.19928	0.4
69.03349	1.7
69.68548	0.4
71.01269	100.0
71.56294	0.5
72.01604	1.8
72.99197	4.9
73.02837	26.7
74.20945	0.4
75.00772	1.7
77.89012	0.4
79.37101	0.4
81.03358	0.8
83.01279	16.7
84.02052	0.5
85.02846	43.9
86.00024	0.7
86.03182	0.9
87.00773	6.0
89.02338	39.9
90.02707	0.6
90.66009	0.5
95.01289	9.1
97.02845	4.5
99.00781	15.1
99.04416	0.6
101.02347	83.6
102.01909	0.7
102.02684	1.9
111.00790	0.8
112.01575	1.8
113.02358	51.7
114.02702	1.6
115.03931	0.5
119.03423	11.6
119.04829	0.6
125.02361	8.7
129.01869	1.2
131.03430	3.5
135.04416	0.4
139.00285	0.5
143.03433	13.1
149.04497	2.1
159.02956	8.6
161.04501	43.8
162.04839	1.9
179.05583	6.6
191.05571	0.5
203.07072	2.3
205.03610	1.1
233.08354	1.0
269.10364	70.9
270.10764	5.3
311.11343	0.5
313.09396	0.6
401.14606	90.3
402.14938	8.9
431.15674	83.0
432.16000	9.1
443.15286	0.5
563.19928	56.7
564.20276	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	563.1418
Annotation	Unknow
Peak:m/z	Relative Intensity
55.39043	0.1
59.01254	0.3
63.02279	0.5
65.00195	0.6
69.59782	0.5
69.60197	0.2
74.97079	0.1
83.01269	0.3
93.03317	0.2
95.01297	0.1
98.20520	0.2
107.00624	0.1
107.01299	1.8
108.02042	0.2
109.02842	0.3
110.23476	0.1
117.03348	0.1
124.01576	0.1
125.02325	0.2
132.02075	1.1
133.02888	0.2
135.00792	1.2
142.44893	0.1
143.04942	0.3
151.00314	2.5
152.01041	0.4
153.01852	0.1
157.06610	0.1
158.03624	0.2
159.04419	0.2
161.02466	0.1
163.00323	1.1
164.01161	0.6
165.01852	0.1
167.04980	0.3
169.01401	0.2
169.02678	0.1
169.06570	0.2
171.04480	0.3
178.99823	2.0
182.03636	0.1
183.04504	1.0
185.02383	0.3
185.06119	0.5
187.03972	0.8
189.05504	0.2
190.99809	0.4
195.04514	0.2
196.05243	0.1
197.06018	0.1
199.03993	0.5
200.04756	0.5
211.03964	1.8
212.04567	0.3
213.01900	0.2
213.05540	0.4
223.04027	0.1
227.03500	41.8
228.03900	3.1
229.05029	2.0
239.03539	1.0
240.04140	0.2
241.05061	0.3
243.03067	0.2
255.03024	77.5
256.03510	9.5
257.04568	1.6
265.51001	0.1
267.02853	0.2
281.04712	0.2
283.02585	1.0
283.05725	0.2
284.03317	100.0
285.03879	17.3
286.04498	0.9
309.04034	0.2
326.04471	0.2
327.05051	0.3
363.11096	0.1
399.07324	1.2
417.08249	0.2
473.10956	0.2
563.14172	83.8
564.14508	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	562.3161
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	2.9
62.24264	0.3
69.67763	2.6
78.95797	9.9
90.35567	0.4
97.52341	0.4
99.89941	0.4
114.43724	0.3
118.68611	0.4
119.04953	0.5
140.01147	2.9
152.99512	1.5
153.12741	0.5
155.14351	0.8
163.11134	0.6
163.96410	0.4
165.12808	2.0
173.50212	0.4
181.12299	1.6
183.29173	0.4
196.03778	1.9
199.13377	27.5
200.13730	1.8
202.26874	0.4
214.04839	4.4
263.20203	11.3
264.20584	1.2
279.17032	0.5
279.19559	2.3
317.08981	0.3
329.25220	0.4
347.25986	6.2
348.26315	0.9
363.25772	0.5
365.27042	100.0
366.27393	12.4
488.27847	4.4
489.28409	0.7
562.31653	29.7
563.31897	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	563.142
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	0.6
56.19936	0.5
57.03267	0.6
59.01264	14.6
61.98730	0.9
65.00211	0.5
67.01784	0.5
70.77638	0.5
71.00881	0.4
71.01270	10.5
71.58110	0.8
72.99197	1.0
73.02845	3.7
83.01279	0.5
85.02831	1.3
87.00766	0.9
89.02338	18.9
89.30734	0.4
93.03431	0.5
99.00777	5.7
101.02359	7.8
107.01284	1.0
113.02362	2.0
116.92783	1.3
117.03374	0.8
118.92562	0.5
119.03403	1.2
120.32684	0.5
123.04448	1.0
125.02328	0.9
131.03432	3.6
132.02101	1.4
133.02890	9.9
135.00774	1.3
135.04459	4.9
136.01572	0.7
137.02336	0.6
142.20154	0.4
145.06442	0.4
148.01711	0.5
149.04501	13.5
151.00316	1.7
151.03923	1.1
161.02388	28.6
161.04532	1.0
162.02750	1.3
163.00331	1.1
178.99794	0.9
179.03459	1.7
183.04460	0.9
187.03973	1.1
189.05580	2.2
191.05579	2.8
196.05141	0.5
208.60504	0.5
209.04608	0.8
211.03917	1.5
221.06638	1.9
227.03502	30.9
228.03838	2.1
229.05074	2.7
239.03407	1.0
251.07684	2.4
255.03024	60.6
256.03516	7.5
257.04633	2.4
275.07330	0.5
283.02646	0.8
284.03320	100.0
285.03976	23.0
286.04492	1.3
311.09677	1.6
341.09457	0.7
357.09918	1.5
387.10898	0.8
399.07205	1.3
503.18112	0.9
503.25110	9.9
504.25400	0.6
519.15216	10.7
520.15875	2.2
563.14160	81.3
564.14551	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	561.1418
Annotation	Epicatechin-(4beta->8)-epiafzelechin
Peak:m/z	Relative Intensity
57.03341	5.6
59.01249	1.0
61.87268	0.6
61.97028	0.5
64.12942	0.6
69.03352	0.6
69.23472	6.6
69.32568	0.5
71.01240	0.8
74.02351	1.1
79.79050	0.5
81.03348	2.7
83.01274	5.4
83.61505	0.5
93.03361	3.9
94.29365	0.6
95.01309	1.4
95.04913	3.7
96.95937	1.0
97.02849	7.8
107.04935	0.9
108.02067	1.4
109.02869	27.6
110.03168	0.8
114.93281	0.6
116.03439	0.9
119.04921	1.0
120.02031	0.8
121.02885	4.7
122.03703	1.6
123.04447	23.6
124.01595	0.6
124.04773	1.2
125.02372	40.4
126.02715	1.5
131.04979	0.7
133.02888	4.3
133.45175	0.6
134.03645	0.8
135.04474	3.5
137.02379	22.1
138.03000	0.7
139.03944	5.3
143.04970	0.8
145.02870	2.0
146.03654	2.0
147.04471	1.6
149.02365	6.4
150.03156	1.2
151.03960	12.0
152.04343	0.5
157.06493	1.0
158.03674	0.7
159.04454	3.3
160.05219	1.6
161.02393	3.4
161.06023	6.6
162.03128	1.7
163.00340	2.8
163.04028	3.0
164.01106	15.8
165.01904	7.8
167.03456	1.5
173.06068	1.9
175.03951	5.1
175.07581	2.3
176.01126	0.9
177.01888	5.9
177.05467	1.1
179.03467	8.1
185.06046	2.2
187.03973	8.2
187.07581	0.8
188.04753	4.7
189.05515	1.1
191.03517	0.8
199.07520	0.9
201.05573	1.6
202.06319	2.7
203.03557	1.2
203.07106	16.2
204.07448	1.0
205.01392	4.0
205.05035	9.8
206.05426	0.8
212.04836	0.6
213.05513	0.7
217.05028	0.7
221.08174	3.2
227.07143	3.5
228.04343	0.9
229.05072	2.0
229.08560	0.8
230.05881	0.7
231.02982	0.9
245.08218	19.8
246.08583	1.7
247.06107	2.4
253.05206	0.9
255.03108	2.0
256.03748	1.3
257.04651	0.9
267.06836	1.1
271.06165	12.1
272.06601	1.3
273.07666	5.7
274.08493	0.6
281.04434	0.8
283.06125	1.3
285.04166	0.8
289.07254	100.0
290.07651	9.8
328.05981	2.0
329.06750	2.5
339.09000	1.0
381.10107	1.0
407.07770	9.7
407.12744	0.9
408.07956	1.1
425.08655	1.0
435.10928	9.2
436.11191	1.6
492.75702	0.6
543.12933	1.7
561.13672	3.3
562.14014	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.168
Annotation	Unknow
Peak:m/z	Relative Intensity
56.36108	0.4
57.90192	0.4
59.01277	0.4
69.24844	0.4
69.25005	0.6
69.25366	4.5
69.25662	0.6
80.96392	0.5
86.38240	0.4
98.20564	0.9
147.04465	1.0
148.05231	1.3
149.06027	100.0
150.06354	4.9
219.54155	0.4
311.11456	14.7
311.14987	0.9
312.11877	0.8
353.12601	5.8
354.12811	1.0
449.19733	0.5
524.40045	0.4
525.65845	0.5
559.20770	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3134
Annotation	Unknow
Peak:m/z	Relative Intensity
56.32679	0.4
56.80160	0.4
59.01266	19.1
60.01595	0.4
61.98720	5.5
66.99780	0.4
71.01266	2.8
71.57247	0.6
73.02862	0.7
75.56524	0.4
75.88840	0.4
77.81203	0.4
78.95789	2.2
80.91575	1.6
85.02818	0.6
89.02331	2.8
101.02357	3.6
101.18453	0.4
113.02332	1.4
119.03401	0.8
134.03690	0.6
145.02879	2.0
161.04501	1.4
196.03708	0.9
201.00327	0.7
201.01941	0.4
231.87050	0.4
235.08333	2.5
245.33397	0.4
253.09328	14.3
261.18707	0.6
263.20215	100.0
264.20578	8.8
271.34427	0.5
277.21786	5.3
331.15448	0.5
430.73862	0.6
474.26471	3.1
499.17584	3.3
499.28876	0.8
500.17258	0.7
517.17163	0.8
559.24371	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2977
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01770	0.3
57.03343	0.5
59.01265	100.0
59.25335	0.2
60.01604	0.8
61.98725	0.7
69.03344	0.4
69.32501	1.7
69.32932	0.4
71.01270	12.2
72.01608	0.3
72.99207	0.4
73.02839	3.4
75.00758	0.3
76.04144	0.2
83.01274	1.7
85.02844	4.0
87.00777	0.4
89.02335	1.5
95.01299	0.7
97.02876	0.6
99.00783	1.6
99.04464	0.4
101.02352	6.5
101.03011	0.3
105.03429	0.2
113.02357	3.7
117.03394	1.2
119.03453	0.8
119.04958	1.0
121.31139	0.2
125.00455	0.2
125.02412	0.9
125.60040	0.2
131.03481	0.3
133.02858	1.1
135.04465	1.3
137.09698	0.4
143.03462	0.9
145.02887	4.6
146.03267	0.3
147.26126	0.2
149.04497	0.2
151.11256	0.2
159.02960	0.5
161.02457	2.6
161.04503	5.2
161.05844	0.3
161.09688	0.2
162.02800	0.3
163.04044	1.0
167.10760	0.5
177.05536	0.2
179.03494	0.6
179.05608	0.8
183.10283	0.3
187.04044	0.3
203.05595	4.2
203.10838	0.2
205.05165	0.4
231.17528	2.5
255.03043	0.4
262.10580	0.2
275.20212	6.7
276.20618	0.8
284.03387	0.3
293.21265	2.1
294.21664	0.4
310.21643	0.2
317.21494	0.3
323.48160	0.2
335.22476	0.3
377.23364	0.3
381.09915	0.2
393.15897	0.8
411.16879	0.5
422.64145	0.2
437.25629	2.4
455.26587	3.7
455.32620	0.3
456.27206	0.6
479.26611	0.3
497.27744	3.4
498.28241	0.4
513.27130	0.3
535.08783	0.2
556.69788	0.5
557.20190	4.1
557.29871	0.6
557.69751	0.4
558.21417	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
55.37836	0.2
59.01259	1.0
60.19843	0.2
71.59000	0.3
75.52245	0.2
78.95796	2.6
79.26859	0.2
79.95625	2.6
88.06924	0.2
88.98715	0.2
92.67197	0.2
94.97990	0.2
96.66251	0.2
96.95914	100.0
96.96796	3.5
97.95856	0.4
117.03405	0.3
119.04974	0.3
145.02884	3.1
146.03244	0.2
152.99503	0.4
155.35956	0.2
202.56459	0.2
235.03053	0.3
253.09338	0.8
261.00995	0.5
267.09296	0.3
277.21820	4.3
278.21960	0.4
315.59454	0.2
347.02286	0.4
413.12811	0.6
461.19745	1.0
499.14865	0.2
517.15033	0.3
533.00903	0.3
559.16620	4.6
560.17255	0.7
561.14771	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.1683
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00996	0.2
59.01268	2.8
71.01260	0.9
71.02647	0.2
71.59268	0.3
72.58932	0.2
73.02823	0.4
85.02840	0.4
87.00772	0.2
89.02322	0.5
92.17478	0.2
101.02316	0.5
108.02069	0.2
113.02356	0.4
117.82677	0.2
119.03432	0.2
123.04443	0.4
125.47694	0.2
133.31219	0.2
135.04408	0.4
147.04472	1.6
148.05240	1.0
149.06021	100.0
150.06377	4.5
161.02371	0.5
167.03485	0.3
187.07642	0.3
191.07111	0.8
205.07126	0.2
293.10388	2.8
311.11435	19.9
312.11856	1.7
324.83157	0.2
353.12473	9.6
354.12817	1.1
447.67963	0.2
538.73169	0.2
558.23291	0.4
559.23151	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2409
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03330	1.3
58.00485	1.0
59.01265	26.6
61.98725	5.7
69.03336	1.0
69.81768	1.6
69.82176	3.0
71.01273	13.5
72.99211	2.8
73.02830	7.9
75.54928	0.7
83.01266	1.6
85.02839	6.9
85.99992	1.3
87.00775	7.9
87.04420	2.5
87.04993	0.6
89.02340	9.4
90.94360	0.6
93.03365	5.2
95.01302	1.2
99.00771	1.5
101.02343	15.2
103.03930	4.6
108.02086	3.0
109.02856	6.7
113.02341	5.3
115.03931	3.8
117.03412	1.4
119.03409	6.1
119.04931	3.4
121.02876	22.2
122.03677	17.2
123.04468	5.5
124.01558	1.7
125.02377	8.9
129.03381	1.0
131.03419	6.0
132.02124	3.5
133.02882	19.2
134.03679	23.9
135.04489	6.7
136.01605	1.0
137.02348	3.9
143.03430	7.9
145.02887	9.6
145.04982	1.4
146.03638	3.3
147.04462	14.1
148.05115	0.9
149.02391	29.8
149.06035	14.1
150.03171	80.3
151.03560	4.0
154.02678	3.1
159.04488	1.5
160.05167	0.8
161.02396	12.8
161.06042	3.7
162.03110	4.4
163.03918	2.2
163.06071	11.2
164.04749	8.8
165.05527	100.0
166.05911	5.0
167.03358	1.4
173.06050	1.5
175.07573	1.4
177.05518	2.6
178.06383	0.9
178.93188	0.8
179.03503	2.3
179.07083	10.3
180.04243	3.7
181.04951	0.8
187.07605	3.9
191.07089	1.1
195.06613	32.3
196.06929	2.0
201.05551	1.2
202.06306	7.6
203.03400	0.9
205.07135	9.7
209.08124	0.9
216.07858	0.8
231.10220	5.7
247.08267	5.8
271.02594	1.7
283.09656	0.8
297.11246	1.8
299.02124	1.6
299.13068	1.1
313.10846	1.0
315.12445	1.8
325.11398	1.7
329.14081	4.2
346.14267	5.7
347.15048	10.0
348.15326	1.0
359.15030	1.0
360.15881	0.9
361.16650	60.1
362.16937	7.1
375.18207	0.9
392.62308	1.2
411.16614	3.8
415.17764	8.2
459.15088	0.9
460.15921	11.6
461.15826	1.0
463.17722	1.9
479.20123	2.0
494.21115	2.8
509.21927	89.9
510.22180	16.7
521.21887	8.4
522.22174	2.5
539.23187	10.0
540.23340	1.6
541.66846	2.0
556.74146	3.5
557.22803	46.3
558.23273	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	557.2252
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48158	0.2
55.01769	0.5
57.03339	0.6
58.00481	1.3
59.01265	24.9
60.01611	0.3
61.98719	0.8
66.09062	0.2
68.99743	0.2
69.03346	0.9
71.01270	14.1
72.01612	0.2
72.99197	1.9
73.02835	7.6
74.03213	0.2
75.00749	0.3
81.03368	0.4
83.01261	1.2
85.02842	6.0
85.99989	1.5
87.00771	7.9
87.04400	2.8
88.01090	0.2
88.72254	0.2
89.02335	9.3
95.01298	0.8
97.02853	0.4
97.06512	0.2
99.00782	0.6
99.04395	0.3
101.02348	9.6
102.02647	0.3
103.03923	2.0
109.02827	0.4
113.02349	5.0
114.02740	0.2
115.03925	3.4
119.03432	3.9
121.02856	0.2
123.04424	0.4
125.02360	0.4
131.03418	5.3
132.03770	0.2
133.02890	0.4
134.03693	1.1
135.04466	0.2
143.03435	5.6
145.04996	1.1
146.03670	0.8
146.04958	0.1
147.04442	1.0
149.05986	0.4
151.07599	0.3
156.29225	0.2
158.03679	0.6
159.04482	2.0
160.04971	0.2
161.02336	0.4
161.04567	0.4
161.06006	0.3
163.06058	1.5
172.05321	1.0
173.06035	3.0
174.03183	0.3
174.06670	0.6
175.04004	0.6
175.07655	0.3
187.04053	1.4
187.07613	12.6
188.04543	0.3
188.08052	1.0
190.06319	0.5
201.05544	3.8
202.06332	18.7
203.06737	1.7
203.10776	0.7
204.08093	0.3
205.07120	3.2
213.09222	1.0
216.07843	1.2
219.10193	0.5
220.07526	0.8
230.09477	0.4
231.10275	17.1
232.10614	1.6
247.08289	0.3
249.09015	0.3
249.11353	1.7
250.11778	0.2
301.42529	0.2
382.12683	0.2
393.15417	0.2
411.16644	9.0
412.17151	1.0
494.36197	0.2
528.18591	0.7
557.22485	100.0
558.22864	16.1
574.06830	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2043
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01772	0.8
57.03328	0.8
58.00491	0.5
59.01267	10.4
61.98719	5.4
69.03336	0.5
71.01272	14.8
71.53750	0.6
72.99209	0.6
73.02841	3.9
75.00768	0.4
83.01277	1.7
85.02847	8.8
87.00780	1.7
89.02337	3.8
93.03342	0.7
95.01300	1.9
97.06512	0.6
99.00787	1.0
99.04446	0.3
101.02352	5.8
113.02360	9.0
117.03382	27.3
118.03725	1.1
119.03456	1.4
119.04947	29.3
120.05280	1.3
121.02880	0.6
123.04430	0.4
125.02350	0.6
130.04143	0.3
131.03429	0.6
131.04967	0.3
132.05721	0.3
133.02855	1.6
133.06500	1.0
134.03661	0.4
135.04431	0.9
137.02328	0.3
143.03415	0.8
145.02892	100.0
146.03209	5.1
147.04420	1.5
147.08067	0.6
149.05978	0.6
150.03191	0.4
158.03697	0.9
159.03212	0.4
159.04431	2.0
159.08179	0.4
161.02403	2.4
161.04669	0.6
161.06050	2.5
162.02879	0.4
163.03957	24.4
164.04277	1.3
172.05321	0.5
173.06039	2.6
174.03127	0.4
174.06737	0.3
175.03989	1.1
177.05569	0.6
179.03383	0.6
179.07085	0.3
187.03987	3.5
187.07607	11.5
188.08034	0.8
189.05496	0.4
190.06306	0.8
201.05571	3.1
202.06335	18.9
203.06757	1.1
203.10789	0.9
204.07947	0.6
205.05121	2.1
213.09233	0.5
216.07913	1.1
219.10252	1.0
220.07425	1.0
225.11446	0.3
231.10289	11.7
232.10597	1.1
249.11357	2.4
265.07266	0.5
307.08249	0.4
325.09244	0.7
334.45197	0.3
364.11826	1.9
375.14938	0.4
392.12097	0.4
393.15646	39.3
394.16019	4.6
411.16693	12.7
412.17004	1.8
437.14465	0.6
494.21072	0.6
495.21689	0.3
521.33197	0.9
539.19208	0.9
557.20459	57.9
558.11969	0.6
558.20764	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	557.2042
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51999	0.3
55.01765	0.9
56.62941	0.4
57.02009	0.3
57.03333	1.4
59.00991	0.7
59.01268	9.6
61.98722	2.1
69.03354	0.5
70.73161	1.1
71.01271	15.5
72.99196	1.0
73.02827	4.3
75.00778	0.4
83.01283	1.8
85.02844	9.4
87.00759	1.6
89.02328	4.3
93.03340	0.8
95.01279	2.7
95.53684	0.3
97.02803	0.4
97.06492	0.8
99.00785	1.4
100.76130	0.3
101.02345	5.9
107.04942	0.4
113.02361	8.4
117.03381	25.5
118.03741	1.1
119.03484	1.1
119.04945	31.8
120.05284	0.9
121.02881	0.7
123.04379	0.5
125.02391	0.8
125.63973	0.3
126.60891	0.4
133.02870	2.3
133.06520	0.7
134.03606	1.0
135.04466	1.1
137.02344	0.6
143.03433	0.8
145.02887	100.0
146.03214	5.0
147.04445	1.0
149.02359	0.5
149.06053	0.5
150.03136	1.0
151.07547	0.4
158.03624	0.8
159.04466	2.1
159.08095	0.4
161.02435	3.2
161.06030	2.4
162.02893	0.5
163.03961	24.4
164.04343	1.2
165.05537	0.7
172.05220	0.8
173.06042	3.0
175.03940	0.6
175.07642	0.6
177.05521	1.2
179.03476	0.5
187.03978	3.3
187.07608	12.7
188.07954	0.8
189.05624	0.4
190.06345	0.7
195.06638	0.7
201.05566	3.1
202.06329	20.8
203.06732	1.9
203.10681	0.8
204.07899	0.6
205.05127	1.8
213.09172	0.6
216.07864	1.3
219.10304	1.1
220.07347	1.1
231.10284	12.6
232.10619	0.9
249.11322	2.7
286.78915	0.4
291.12570	0.4
325.09363	0.5
364.11856	1.7
375.14310	0.4
393.15631	39.1
394.15997	4.2
411.16699	13.1
412.17038	1.3
434.00580	0.4
437.69022	0.4
457.78894	0.4
494.21646	0.4
509.18494	0.6
521.34277	0.4
539.19019	1.1
557.20471	63.6
558.20789	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	555.2853
Annotation	Chaetoglobosin M
Peak:m/z	Relative Intensity
52.17290	0.2
58.42034	0.2
59.01262	0.8
62.73112	0.2
63.96124	1.1
69.03328	0.5
70.92448	0.6
70.92786	0.2
71.01269	6.7
72.99189	0.3
73.02832	1.8
77.33175	0.2
78.98041	0.3
78.98484	6.3
79.95623	8.4
80.22665	0.2
80.96408	62.2
81.03364	0.7
83.01265	0.4
85.02843	2.4
87.00758	2.3
91.03905	0.2
94.97984	16.2
95.01247	0.4
96.95898	0.8
97.02850	1.6
99.00803	0.7
99.04424	0.3
99.13232	0.2
101.02343	2.6
106.97992	3.2
113.02330	0.7
122.97499	5.3
125.02359	3.3
127.03938	0.8
127.21819	0.2
134.97505	3.9
136.99069	1.7
144.32538	0.2
146.97507	0.5
148.99080	6.0
152.98578	7.7
164.98582	11.4
167.00182	0.5
179.00142	0.3
182.99666	2.5
188.98584	0.5
206.99683	3.8
215.14908	0.3
225.00745	20.1
226.01076	0.8
243.01874	2.0
255.23315	3.2
299.04453	3.7
312.58130	0.2
317.05518	0.3
506.83832	0.2
555.28534	100.0
556.28864	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	556.2048
Annotation	Unknow
Peak:m/z	Relative Intensity
56.41231	0.3
59.01264	2.7
61.98716	100.0
68.99781	0.4
71.01268	2.8
73.02841	1.5
83.01274	0.5
85.02856	1.3
87.00742	0.6
89.02341	0.5
96.95907	0.4
101.02354	2.0
109.02838	0.4
113.02360	1.1
117.03377	1.2
119.03418	0.6
125.02344	1.6
126.02671	0.4
132.02127	0.4
133.02881	14.4
134.03258	0.4
135.04454	4.4
137.02345	0.5
143.03470	0.4
145.02858	0.9
150.03244	0.5
154.01097	0.3
161.02388	79.3
162.02724	5.0
179.03481	3.7
179.07028	0.3
187.31364	0.3
195.34734	0.5
201.18954	0.3
211.07625	2.0
212.07947	1.0
231.10236	0.5
264.26254	0.4
314.40195	0.5
359.51028	0.4
392.12000	0.6
493.20911	80.7
494.21271	11.5
494.28510	0.5
519.18768	0.6
520.19153	0.8
555.72858	0.5
556.18921	0.5
556.74432	0.4
557.22327	2.9
557.30261	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2051
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10802	0.3
57.03372	0.4
59.01269	3.5
59.96132	0.3
61.04249	0.4
61.98717	100.0
71.01277	2.7
73.02828	0.8
83.01296	0.4
85.02850	1.5
87.00764	0.4
88.97221	0.3
89.02329	1.0
95.01311	0.4
96.95889	0.3
101.02326	2.1
113.02343	1.0
117.03356	0.7
119.03416	0.3
120.30022	0.3
122.92297	0.4
123.04442	0.4
125.02386	1.3
132.02074	0.5
133.02888	15.2
134.03650	0.6
135.04448	4.9
139.53665	0.4
143.03409	0.6
145.02911	0.7
150.03185	0.8
161.02390	68.5
162.02751	3.2
163.06018	0.5
179.03456	2.7
211.07626	3.7
212.07912	1.8
229.68613	0.5
392.12085	0.5
407.34564	0.4
411.16919	0.4
493.20914	95.8
494.21243	13.7
508.74722	0.4
519.18842	1.1
520.19250	1.5
551.92163	0.5
557.22565	3.8
557.30756	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2956
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03339	11.9
59.01256	5.6
61.98717	21.7
71.01275	2.9
71.57379	1.5
71.57758	1.4
72.31171	1.0
73.02848	2.1
74.88408	1.1
77.01532	1.1
84.08932	1.1
85.06486	3.5
87.00739	1.5
88.98701	1.4
97.06514	2.3
99.08080	2.2
101.02347	2.8
104.31503	1.0
113.02426	1.5
121.02899	1.6
125.02399	9.0
133.02892	3.9
135.04463	4.0
137.02411	1.4
143.10724	9.4
145.02879	1.1
145.50368	1.1
149.02431	1.2
149.06024	1.0
150.03140	3.5
161.02383	11.8
163.03992	1.4
165.05563	4.3
167.03487	1.8
179.03464	1.7
195.06636	2.9
197.02255	1.6
207.56148	1.2
225.05727	1.7
229.18111	14.9
240.07996	2.0
271.09790	1.8
297.24246	1.2
303.12897	1.5
313.27615	7.0
314.28168	1.6
343.12045	1.1
357.26535	100.0
358.26947	10.1
392.12274	2.4
478.53345	1.4
493.20474	5.9
511.23703	2.3
532.30536	1.4
555.22266	3.4
555.29602	35.7
556.21075	3.3
556.30103	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	555.225
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35209	0.5
54.59163	0.5
57.03346	1.9
59.01258	5.3
61.98718	22.1
69.03344	0.8
69.16408	0.5
71.01271	3.9
71.58215	0.7
72.99223	0.7
73.02844	1.9
75.00774	0.5
76.03751	0.7
83.01316	0.8
85.02861	1.8
87.00797	0.6
89.02353	1.5
93.03364	3.7
95.04931	1.1
96.95926	1.9
97.02871	0.5
99.00813	0.6
101.02367	2.2
107.62085	0.5
108.02077	0.9
109.02911	0.7
113.02335	0.7
119.04932	1.0
121.02861	7.1
122.03663	11.2
123.04427	2.3
124.01581	0.6
125.02368	11.5
132.02080	0.7
133.02875	6.0
134.03673	0.6
135.04457	5.8
136.01622	1.4
137.02370	0.9
145.02895	1.1
146.03630	0.6
147.04454	0.7
148.05203	0.7
149.02382	24.5
149.05988	1.1
150.03168	88.3
151.00204	0.6
151.03503	3.6
152.04768	0.8
157.15723	0.5
160.05188	0.6
161.02396	13.4
161.04442	0.7
162.02814	1.7
163.03960	3.2
164.04741	7.2
165.05527	100.0
166.05984	5.4
167.00836	0.5
167.03436	1.8
171.10272	0.7
175.03981	0.7
176.04688	0.8
177.05518	0.8
178.06294	0.6
179.03424	2.1
179.05695	0.7
179.07138	1.9
180.04237	6.9
181.08623	1.5
183.03094	0.6
183.10217	0.7
191.05557	0.9
192.04137	0.9
195.06604	84.3
196.06975	3.6
202.06326	0.7
203.03517	0.8
207.06584	3.7
211.13350	0.9
224.04700	0.7
229.08809	0.7
237.07718	1.9
239.07117	1.1
240.04259	2.8
253.08841	0.6
255.10301	0.9
266.03174	0.6
266.05966	0.9
267.06647	1.9
269.08249	4.2
269.11871	0.8
270.08820	1.0
283.06516	1.1
283.09790	2.3
293.08389	0.6
295.06134	3.9
297.11438	1.7
298.08575	2.8
299.09186	2.4
310.08475	2.4
311.09415	5.9
312.09418	0.6
313.10962	4.3
314.11661	6.6
315.12280	0.9
321.10446	0.6
325.10834	4.3
326.11636	4.3
327.12231	0.8
327.21530	0.7
329.14011	17.7
330.14340	1.9
341.09912	0.6
341.14001	11.4
342.14264	0.9
343.11859	2.3
373.12906	3.4
392.12210	2.4
392.62372	1.5
419.20859	0.6
462.16644	0.8
473.68082	1.1
477.19376	3.7
489.19250	1.1
493.20880	5.8
507.20276	11.9
508.20770	1.9
525.21423	2.9
537.21277	3.1
555.20441	3.7
555.28046	3.0
555.73309	1.1
556.21606	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	555.225
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35209	0.5
54.59163	0.5
57.03346	1.9
59.01258	5.3
61.98718	22.1
69.03344	0.8
69.16408	0.5
71.01271	3.9
71.58215	0.7
72.99223	0.7
73.02844	1.9
75.00774	0.5
76.03751	0.7
83.01316	0.8
85.02861	1.8
87.00797	0.6
89.02353	1.5
93.03364	3.7
95.04931	1.1
96.95926	1.9
97.02871	0.5
99.00813	0.6
101.02367	2.2
107.62085	0.5
108.02077	0.9
109.02911	0.7
113.02335	0.7
119.04932	1.0
121.02861	7.1
122.03663	11.2
123.04427	2.3
124.01581	0.6
125.02368	11.5
132.02080	0.7
133.02875	6.0
134.03673	0.6
135.04457	5.8
136.01622	1.4
137.02370	0.9
145.02895	1.1
146.03630	0.6
147.04454	0.7
148.05203	0.7
149.02382	24.5
149.05988	1.1
150.03168	88.3
151.00204	0.6
151.03503	3.6
152.04768	0.8
157.15723	0.5
160.05188	0.6
161.02396	13.4
161.04442	0.7
162.02814	1.7
163.03960	3.2
164.04741	7.2
165.05527	100.0
166.05984	5.4
167.00836	0.5
167.03436	1.8
171.10272	0.7
175.03981	0.7
176.04688	0.8
177.05518	0.8
178.06294	0.6
179.03424	2.1
179.05695	0.7
179.07138	1.9
180.04237	6.9
181.08623	1.5
183.03094	0.6
183.10217	0.7
191.05557	0.9
192.04137	0.9
195.06604	84.3
196.06975	3.6
202.06326	0.7
203.03517	0.8
207.06584	3.7
211.13350	0.9
224.04700	0.7
229.08809	0.7
237.07718	1.9
239.07117	1.1
240.04259	2.8
253.08841	0.6
255.10301	0.9
266.03174	0.6
266.05966	0.9
267.06647	1.9
269.08249	4.2
269.11871	0.8
270.08820	1.0
283.06516	1.1
283.09790	2.3
293.08389	0.6
295.06134	3.9
297.11438	1.7
298.08575	2.8
299.09186	2.4
310.08475	2.4
311.09415	5.9
312.09418	0.6
313.10962	4.3
314.11661	6.6
315.12280	0.9
321.10446	0.6
325.10834	4.3
326.11636	4.3
327.12231	0.8
327.21530	0.7
329.14011	17.7
330.14340	1.9
341.09912	0.6
341.14001	11.4
342.14264	0.9
343.11859	2.3
373.12906	3.4
392.12210	2.4
392.62372	1.5
419.20859	0.6
462.16644	0.8
473.68082	1.1
477.19376	3.7
489.19250	1.1
493.20880	5.8
507.20276	11.9
508.20770	1.9
525.21423	2.9
537.21277	3.1
555.20441	3.7
555.28046	3.0
555.73309	1.1
556.21606	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	554.3474
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	22.5
70.46157	0.6
71.01273	0.8
73.02834	0.3
75.04579	0.2
78.95797	17.0
78.98475	0.7
79.95646	1.0
80.96410	6.6
87.00774	0.3
94.97987	1.6
96.95908	0.4
101.02346	0.3
106.97991	0.3
121.02853	0.4
122.75582	0.2
122.97482	0.4
122.98392	0.3
125.68898	0.2
130.37935	0.2
134.97517	0.3
136.99139	0.2
148.99075	0.5
152.99568	3.2
154.69878	0.2
164.98610	1.3
165.19972	0.2
167.00203	0.2
168.04276	3.5
172.02264	0.2
192.29234	0.2
206.99738	0.5
212.84436	0.2
224.06927	8.1
225.00777	2.4
237.22452	0.2
242.08051	1.8
255.23337	100.0
256.23672	9.4
299.04425	0.2
480.31061	64.3
481.31403	9.0
495.27063	0.3
555.28558	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	555.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
57.56682	0.2
59.01262	0.7
61.98706	0.3
66.07333	0.2
71.01270	0.5
71.60455	0.3
73.02843	0.3
78.95796	5.5
79.95634	2.5
88.98680	0.3
89.02348	0.3
96.95917	100.0
96.96816	8.2
97.95824	0.3
98.02385	0.5
99.16879	0.2
115.35437	0.2
125.02368	0.3
133.02882	0.3
135.04445	0.4
148.05202	0.2
149.06026	5.0
161.02385	0.5
163.30969	0.2
165.05621	0.2
175.03946	0.2
316.51151	0.2
339.12317	0.2
437.61993	0.2
457.17316	0.6
515.82495	0.2
555.28253	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2697
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	11.1
61.98701	0.4
63.96121	1.2
65.73302	0.3
69.03324	0.7
69.64442	2.7
71.01273	7.2
73.02836	1.6
78.95799	10.1
78.98479	5.7
79.95625	8.9
80.96409	64.4
81.03345	0.9
85.02840	2.4
87.00770	2.0
88.98714	0.3
94.97985	15.6
95.01292	0.5
96.95911	2.4
96.96877	0.5
97.02827	1.3
97.80178	0.3
99.00777	0.7
101.02338	2.4
106.97998	3.4
113.02374	0.4
121.02850	4.1
122.97508	6.1
123.54378	0.3
124.66091	0.3
125.02362	3.4
127.03932	0.8
134.97496	4.1
136.99084	1.0
147.88208	0.4
148.99072	6.3
149.00272	0.5
152.98549	8.0
152.99570	2.1
164.98582	11.4
168.04318	1.0
182.99675	3.0
206.99704	3.1
224.06920	4.2
225.00748	21.7
226.01047	0.8
242.07889	0.5
243.01801	2.1
255.23323	53.9
279.23267	0.5
280.23700	0.7
281.23944	0.8
299.04382	3.3
317.05557	3.7
428.55112	0.4
438.16571	0.4
480.31042	35.7
553.26953	100.0
554.27258	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	553.2669
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01771	2.5
57.03337	2.6
59.01267	20.8
61.98723	6.8
62.04821	1.4
65.03844	1.6
67.01778	3.3
69.03349	1.8
70.89169	1.0
71.01274	35.0
72.99209	2.4
73.02834	12.2
75.00763	14.6
78.36172	1.3
79.05433	1.9
81.03350	4.5
83.01283	6.2
83.04948	2.4
85.02846	19.3
87.00764	2.4
89.02341	8.4
93.03365	2.9
95.01273	4.1
95.04935	4.2
96.95924	1.8
97.02856	1.1
99.00789	4.5
101.02346	29.6
106.04169	1.3
107.04953	2.7
108.02083	1.3
109.06512	3.5
111.00783	1.4
113.02357	16.5
117.03413	1.7
119.03461	2.0
119.04958	1.8
119.08617	1.8
121.02873	6.8
121.10157	7.2
122.03661	4.5
123.04452	2.4
125.02370	12.6
129.01830	1.2
129.07039	2.9
131.04965	1.2
131.08565	2.0
132.05789	1.3
133.02905	4.0
133.10173	17.7
134.03720	1.8
135.04465	10.3
135.08035	2.4
136.01619	4.8
137.02350	7.4
139.55917	1.2
143.03452	1.8
145.02849	1.8
145.06509	1.7
146.03685	4.5
147.04469	1.2
147.08098	19.4
148.08429	1.7
149.02376	14.6
150.03191	19.3
151.03937	7.8
151.11230	8.0
157.06531	3.7
159.02940	1.9
159.08099	35.5
160.08464	1.7
161.02443	7.6
161.04524	17.5
161.05910	2.3
162.03008	1.5
163.03934	3.5
164.04776	3.8
165.05548	19.1
165.09203	3.0
167.03479	1.3
175.03938	2.6
175.07655	2.0
177.05751	2.4
177.09181	53.0
178.09549	3.9
179.03461	1.6
179.07066	5.7
189.05721	1.1
190.02733	2.0
190.06340	3.9
195.06572	7.2
195.10242	25.4
196.10645	2.9
197.05998	2.4
200.01244	1.8
205.05150	3.3
206.09859	1.5
221.08176	3.3
225.05708	6.9
226.06276	1.9
229.08917	1.2
233.12357	1.2
237.07539	1.2
240.07990	4.3
241.05180	3.4
256.07455	3.5
271.09784	6.8
301.10733	2.2
303.12485	8.0
327.12479	1.8
331.17728	24.7
343.12079	1.9
357.13544	5.2
357.17377	1.6
473.32016	1.4
477.24161	1.6
491.26715	11.8
505.18900	22.3
506.19293	4.4
509.27655	4.9
523.19208	1.8
553.26794	100.0
554.27277	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	554.3475
Annotation	Unknow
Peak:m/z	Relative Intensity
55.54994	0.2
59.01263	17.3
59.07006	0.2
69.10769	0.3
71.01274	0.3
71.57516	0.4
78.95800	4.7
79.95609	0.4
80.96410	3.1
82.08360	0.3
94.97984	0.5
100.23466	0.2
102.18188	0.2
105.61929	0.3
121.02839	1.3
122.03210	0.3
152.99568	1.3
164.98537	0.4
168.04286	1.3
190.81958	0.3
224.06958	1.0
225.00784	0.5
226.00986	0.3
242.07982	2.6
255.23326	100.0
256.21561	0.2
256.23657	9.0
480.31046	36.4
481.31464	5.6
554.27173	5.5
554.35071	0.4
555.27338	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3031
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76675	0.2
59.01252	0.7
71.41339	0.2
71.55904	0.2
71.89733	0.2
78.95795	6.1
80.96412	0.5
98.19735	0.4
104.88077	0.2
121.02874	0.3
139.19434	0.2
152.99556	0.9
168.04259	1.5
177.15443	0.2
184.81329	0.2
224.06917	1.0
230.17290	0.2
230.19427	0.3
242.08006	2.7
261.22305	0.6
279.23346	100.0
280.23688	10.4
343.26147	0.2
504.31088	38.1
505.31467	6.7
505.38980	0.4
554.27643	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.3456
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00402	0.2
55.01759	0.3
59.01265	13.8
60.01587	0.3
71.01271	2.5
73.02834	0.9
78.95761	0.3
83.01275	0.6
85.02847	0.6
87.00748	0.5
89.02329	2.5
95.01311	0.3
101.02352	3.0
106.92628	0.2
113.02358	1.1
119.03384	0.7
121.02907	1.2
123.30723	0.2
133.02879	0.7
133.05003	0.7
137.02382	1.3
145.02840	0.7
157.04961	0.4
161.04500	1.0
163.56714	0.2
174.66505	0.2
179.05492	0.3
182.38544	0.2
187.04051	0.4
235.08258	3.1
247.17413	0.2
253.09335	12.6
254.09705	0.5
255.23331	100.0
256.23669	9.4
393.51453	0.3
404.32205	0.3
405.25644	0.3
491.32648	0.7
551.34027	2.3
552.34180	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2876
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	1.1
63.25893	0.2
66.25600	0.2
67.07479	0.2
71.01260	0.4
78.95794	8.1
90.22775	0.3
91.25937	0.2
92.77955	0.2
95.38570	0.2
99.53310	0.2
121.02911	0.2
127.07518	0.3
127.37472	0.2
130.24661	0.2
138.93651	0.2
152.99525	1.1
164.12961	0.2
168.04257	2.0
172.20445	0.2
224.06978	1.1
225.86942	0.2
233.22780	0.4
242.08040	3.5
259.20804	0.4
275.20178	0.5
277.21780	100.0
278.22134	9.7
378.09576	0.2
426.29330	0.3
502.29538	46.3
503.22513	0.5
503.29886	7.6
551.88647	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2877
Annotation	Unknow
Peak:m/z	Relative Intensity
55.90057	0.4
59.01266	18.4
61.98724	0.4
70.42121	0.4
71.58916	0.7
78.95795	22.1
82.20762	0.4
95.64940	0.4
96.96848	0.7
121.02847	1.8
152.99527	3.9
168.04277	4.7
224.06917	8.8
242.08037	3.9
253.21764	100.0
254.22096	7.7
277.21783	61.5
278.22162	5.3
408.68774	0.5
478.29520	35.9
479.29745	4.7
502.29535	59.5
503.29883	10.5
568.52362	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.3321
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60995	0.6
54.40953	0.5
57.32309	0.5
57.87810	0.5
59.01263	18.2
61.98715	0.8
64.94521	0.5
65.90506	0.6
71.58480	0.6
71.58904	0.8
72.76522	0.6
78.95796	14.3
87.24207	0.5
107.68209	0.5
121.02879	2.4
127.11856	0.6
138.80086	0.5
152.99571	2.5
158.54765	0.5
168.04271	2.1
224.06935	4.8
242.08006	3.6
253.21771	100.0
254.22110	10.5
277.21796	30.9
278.22171	3.1
478.29492	33.3
479.29871	6.0
493.22287	0.7
498.89444	0.5
502.29544	26.5
503.29898	4.6
552.34698	0.6
553.34558	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2153
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01096	0.4
57.03366	0.6
59.01263	7.8
65.99763	0.7
69.03386	0.5
71.01268	6.7
71.58113	0.5
72.99228	1.0
73.02835	3.0
75.00790	0.4
80.01358	0.4
83.01327	0.8
85.02854	2.7
87.00771	2.6
87.04439	0.6
89.02344	6.6
93.03428	1.2
94.93097	0.4
95.01351	0.7
96.95950	0.4
97.02878	0.3
99.00829	1.6
101.02332	4.6
101.95515	0.3
103.03989	0.4
109.02905	0.7
113.02331	2.2
115.03955	0.5
119.03467	1.0
119.04943	0.6
121.02870	4.2
122.03674	0.7
123.00826	0.5
123.04474	0.6
124.01660	0.4
125.02402	0.7
131.03413	2.0
133.01991	0.4
133.02856	2.4
135.04440	3.2
137.02364	3.9
139.00377	0.6
143.03497	0.8
145.02896	2.4
147.04512	1.6
149.02396	1.9
149.04494	3.6
150.03181	1.5
151.04004	1.3
152.01198	0.5
159.04427	0.6
161.02396	7.3
161.04568	1.2
161.05972	0.6
162.02994	1.7
163.02684	0.7
163.03951	5.1
164.03461	0.6
165.01949	1.6
165.05571	0.4
167.03510	0.8
173.06267	0.4
174.03215	2.5
175.03961	14.1
176.04707	2.8
177.05458	2.2
178.01378	2.1
179.02075	1.8
179.03568	1.7
179.05608	0.4
180.02875	0.8
180.04262	10.9
180.05777	0.7
181.04811	0.6
188.04759	3.1
189.05516	6.2
190.06328	19.5
191.03638	0.6
191.05566	0.8
191.07095	13.8
192.04402	0.6
192.07532	0.7
193.05040	9.3
194.05817	5.8
195.01736	1.0
195.06606	2.9
196.02548	0.4
198.04102	1.1
203.07039	1.8
205.08705	15.3
206.09036	0.9
207.06630	5.4
207.60582	0.4
208.07385	9.1
209.07991	0.5
222.09081	0.5
223.09795	1.1
225.01672	0.4
225.07652	0.4
243.06660	1.0
244.07092	0.5
256.04755	0.4
283.24304	0.4
301.03235	0.6
302.03946	0.4
307.71741	0.4
327.12424	0.5
329.10428	0.5
344.12717	3.5
359.15079	100.0
360.09521	1.0
360.15439	13.8
389.16147	4.0
390.16705	0.6
477.14230	0.7
478.14005	0.5
491.19293	1.3
505.26620	3.6
506.26840	0.7
535.14557	0.8
551.13715	31.3
552.13953	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	551.2723
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01767	1.3
57.03343	1.0
59.01266	90.3
60.01616	1.1
60.28251	0.6
61.98695	0.6
66.45210	0.5
67.14165	0.5
69.30929	0.5
71.01270	8.7
71.96096	0.5
73.02847	4.2
83.01270	3.0
85.02853	6.1
86.00004	0.7
87.00800	0.9
89.02354	1.6
91.60139	0.6
95.01286	0.9
97.02859	0.7
99.00802	1.9
101.02347	9.4
113.02372	5.4
125.02341	0.6
133.02892	1.2
135.04468	0.8
159.02948	0.8
161.02438	2.6
161.04449	0.9
179.03456	0.6
243.06779	0.6
243.19699	1.3
283.42133	0.6
286.39151	0.7
383.62915	0.6
387.23859	1.0
405.25085	1.9
447.26108	2.0
465.27029	2.4
489.27182	3.7
507.28201	100.0
508.28522	15.8
551.24585	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2726
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01773	1.8
57.03338	1.5
58.00486	0.7
59.01266	73.7
60.01596	1.0
60.99202	0.6
61.98713	1.3
63.17284	0.3
65.03572	0.3
69.03345	0.6
71.01272	18.5
71.29217	0.8
72.99207	1.6
73.02841	7.0
75.00764	0.8
81.03368	0.4
83.01273	5.1
85.02848	10.1
86.00014	1.1
86.03192	0.4
87.00786	1.5
88.98704	2.1
89.02341	3.3
95.01301	1.3
97.02845	0.9
99.00779	2.8
101.02350	14.7
106.37900	0.3
107.73748	0.3
111.00808	1.2
113.02361	6.9
117.03361	0.4
119.03415	0.9
119.04964	0.7
121.02836	0.6
123.04457	0.7
123.21909	0.3
124.01514	0.3
125.02372	1.4
129.01897	0.4
133.02882	2.6
135.04462	2.0
137.02365	0.4
139.99330	0.4
143.03401	0.6
145.02843	0.5
151.70148	0.4
159.02974	0.6
161.02393	7.6
161.04469	2.2
162.02818	0.5
163.04016	0.5
167.03531	1.5
177.01880	0.7
179.03467	0.9
181.03275	1.3
203.03514	0.3
208.72592	0.3
243.19658	0.7
246.47493	0.3
251.76781	0.4
269.21216	0.8
287.22345	3.5
319.09167	0.4
354.19080	0.4
392.11862	0.5
405.25070	1.1
419.26566	0.3
431.26678	4.1
432.26700	0.8
447.26245	0.6
449.27652	14.1
450.28152	1.6
463.10696	0.8
463.29462	0.6
465.27438	0.4
473.27667	4.2
474.27692	0.9
489.27142	3.4
490.27603	0.5
491.19440	0.6
491.28595	0.6
495.44318	0.4
507.28207	100.0
508.28531	14.3
508.34134	0.4
551.25482	2.9
551.32306	0.6
552.25092	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.3006
Annotation	Unknow
Peak:m/z	Relative Intensity
55.67571	0.6
59.01273	0.9
70.65940	0.7
71.58939	1.1
71.78971	0.6
78.95793	26.4
81.10416	0.6
88.98719	0.7
96.96852	4.1
121.02872	1.6
121.87254	0.6
150.97978	1.0
152.99521	45.5
153.99881	0.7
179.01031	1.0
197.02194	14.9
209.94449	0.6
214.62169	0.6
271.05948	15.5
279.23358	100.0
280.23672	10.3
289.06735	1.3
551.29987	64.9
552.30377	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	551.3451
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29671	0.3
59.01265	11.7
71.01265	2.2
72.12164	0.4
73.02847	0.8
85.02864	0.6
86.94602	0.4
87.00778	0.4
89.02328	2.4
96.49615	0.3
99.00855	0.4
101.02353	3.2
113.02362	1.1
119.03386	1.1
121.02894	1.0
133.05052	0.5
137.02414	0.4
145.02892	0.8
161.04518	1.0
171.04451	0.4
187.03937	1.6
208.25766	0.5
235.08290	2.8
253.09349	13.1
254.09753	0.6
255.23346	100.0
256.23694	10.1
340.16760	0.4
341.17609	1.1
476.42386	0.4
491.32111	0.9
521.33093	0.9
533.32837	1.5
534.33356	0.5
551.33942	3.6
552.34210	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.3662
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18114	0.2
52.35038	0.2
55.01768	0.7
57.03337	1.7
58.00481	0.2
59.01266	100.0
60.01603	1.4
61.98720	0.6
68.85354	0.2
69.03352	0.5
71.01272	12.1
71.57555	0.2
72.99193	0.5
73.02837	3.0
78.95748	0.2
81.03362	0.2
83.01285	3.1
85.02844	7.8
85.03360	0.4
85.99979	0.4
86.03200	0.2
87.00780	0.8
87.19543	0.2
89.02336	1.1
95.01287	1.5
97.02862	0.9
99.00776	1.8
101.02348	6.3
102.02724	0.3
107.12083	0.2
111.00801	0.5
112.01576	0.3
113.02358	8.3
115.03963	0.6
119.03465	0.2
119.04916	0.2
123.04520	0.2
124.01601	0.4
125.02355	1.4
129.01907	0.4
131.03473	0.3
133.02907	0.3
135.04468	0.5
141.12825	0.3
143.03429	2.9
149.02411	0.2
149.06056	0.2
157.12286	1.0
159.02953	0.4
161.02440	1.2
161.04492	2.4
164.04846	0.2
169.12358	0.2
179.03519	0.2
179.07076	0.2
205.03564	0.2
206.64026	0.2
279.23401	0.3
297.24469	0.9
299.25974	2.7
300.26379	0.3
327.29138	0.6
345.30167	9.8
346.30661	1.5
379.01535	0.2
387.31247	0.4
392.12259	0.3
415.30844	0.2
441.32104	0.5
459.33322	0.7
489.34457	39.4
490.34799	7.0
507.35446	11.7
508.35797	2.0
548.74274	0.4
549.36871	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1952
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	0.7
60.99196	15.0
71.58813	0.6
71.59225	0.6
78.95805	5.2
88.98703	100.0
89.99047	1.3
90.17560	0.5
91.09425	0.4
96.95914	18.7
117.16160	0.4
121.02880	2.5
145.02899	2.4
152.99562	6.4
153.41411	0.5
198.90744	0.8
304.44135	0.7
389.07480	0.6
426.99988	0.5
431.22147	0.6
461.19968	2.5
531.53040	0.5
551.09503	0.7
551.16846	1.0
551.34204	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	551.1995
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01772	2.0
56.57931	0.6
57.03342	1.8
57.72027	0.7
58.00478	5.1
59.01266	100.0
62.94438	0.8
69.03344	6.7
69.42458	4.1
69.42867	2.2
71.01270	65.7
72.01612	1.4
72.99190	7.7
73.02836	21.1
74.03174	0.8
75.36327	0.6
81.03356	5.1
83.01276	8.0
85.02845	22.5
87.00793	3.3
89.02339	38.7
95.01298	2.9
97.02855	11.3
99.00240	0.7
99.00776	3.8
99.04425	1.0
101.02350	50.1
103.03916	41.5
104.04256	0.7
105.81409	0.6
110.00069	0.8
113.02351	4.4
115.03964	1.8
119.03420	20.7
125.02370	51.6
125.67944	0.7
126.02702	1.6
127.03919	5.0
131.03436	2.3
137.99525	1.6
143.03473	4.8
145.04988	8.8
149.02377	1.0
150.03241	1.2
151.00330	0.8
153.01884	38.4
154.02248	1.2
161.02373	1.4
163.06076	54.8
164.06403	1.7
168.04237	23.6
183.06602	7.5
205.07190	3.1
243.06644	1.2
247.08257	11.8
248.08589	1.2
285.04221	2.8
289.09451	2.9
303.05219	1.9
307.10419	45.5
308.10828	2.6
568.78052	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2198
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90270	1.8
57.03320	3.2
57.87295	1.9
59.01266	100.0
61.98721	34.3
65.39577	1.8
66.50496	2.0
69.03342	2.0
69.80830	4.7
69.81236	6.6
71.01273	48.6
72.99214	4.1
73.02842	14.6
75.00770	11.8
78.66030	1.8
81.51241	1.8
83.01275	6.0
85.02846	28.2
87.00760	10.2
89.02337	32.5
95.01317	3.3
97.02874	4.5
99.00778	11.5
101.02345	34.2
105.01801	2.1
113.02357	19.8
119.03426	12.0
121.02876	2.6
124.01582	18.2
125.02386	9.9
131.03429	4.3
135.04466	3.8
136.01595	17.4
143.03421	9.1
149.04486	3.9
151.00314	11.0
151.03954	25.7
159.02985	3.5
161.02379	6.4
161.04482	12.3
163.03979	2.2
166.02654	21.8
181.05037	19.9
203.03473	1.9
205.07208	4.4
233.06606	3.9
259.06110	3.6
269.04712	2.2
277.14560	3.5
287.05725	2.8
313.16458	3.6
331.17767	15.3
357.09695	5.0
373.18732	6.2
387.14603	60.0
388.14975	7.0
445.20856	32.8
446.21243	4.7
463.21994	91.9
464.22388	11.1
505.23117	30.9
506.23273	2.9
549.16504	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	549.2204
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39704	1.4
55.01772	3.4
57.03350	7.3
58.00470	2.1
59.01265	90.0
61.98729	7.4
69.03332	3.8
71.01272	59.5
71.01669	2.9
72.99196	3.5
73.02842	29.2
75.00768	13.3
81.03368	1.6
83.01275	8.3
85.02845	34.8
87.00773	8.2
89.02335	31.8
95.01285	3.9
97.02850	4.4
99.00780	14.9
101.02343	43.8
102.02699	2.6
111.19661	1.5
113.02352	34.3
115.67116	1.6
118.23702	1.6
119.03423	9.7
119.04926	1.5
121.02923	1.5
124.01582	25.0
125.02370	12.7
131.03409	5.7
133.02896	4.6
135.04446	5.5
137.02316	1.4
143.03450	6.9
149.04517	1.5
149.06104	1.7
150.17986	1.4
151.00345	1.9
151.03935	1.7
158.61166	1.5
159.02956	5.2
161.02419	12.5
161.04501	27.0
176.07202	2.1
179.03357	3.6
179.05637	1.5
181.05075	2.5
191.05673	1.9
196.65340	1.5
205.07227	4.1
210.71642	1.6
213.93750	1.4
227.12839	2.1
259.06296	2.6
269.04709	1.8
277.14508	6.3
290.18655	1.7
311.10571	1.6
313.16647	2.5
322.66068	1.3
331.17624	15.2
373.18628	6.8
387.14816	2.2
445.20880	41.1
446.21216	6.1
463.21957	100.0
464.22351	14.8
505.23004	33.2
506.23608	3.7
549.15668	4.3
549.29236	3.2
549.66162	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2199
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63290	1.5
55.01768	2.3
57.03331	2.3
59.01265	100.0
61.98689	1.5
68.99722	1.9
69.03304	1.4
69.17767	1.6
69.50311	4.6
69.50733	8.0
71.01273	58.3
72.99194	6.0
73.02840	14.7
75.00773	13.5
80.74226	1.6
83.01279	6.8
85.02842	33.3
85.99998	1.8
87.00761	10.8
89.02340	48.5
95.01284	4.3
96.95921	3.3
97.02881	3.0
98.19807	3.3
99.00768	11.1
101.02348	42.4
109.02834	1.9
113.02363	27.7
119.03429	15.3
119.04932	2.3
123.00806	2.4
123.04415	1.6
124.01589	16.1
125.02402	9.6
131.03421	6.6
133.02873	7.0
134.03632	1.9
135.04466	7.0
137.02399	2.1
143.03439	9.8
149.04509	7.3
149.06013	37.5
151.03799	1.6
151.92259	1.4
161.02411	22.2
161.04500	20.5
162.02872	1.8
169.12312	26.5
177.01891	2.8
179.03503	3.7
179.05568	3.8
188.04724	1.9
191.05615	3.1
193.05064	1.4
205.07233	2.3
213.11212	2.2
219.78586	1.5
222.17690	1.6
227.12892	3.9
231.29552	1.7
235.13522	1.8
255.15952	2.0
277.14514	11.6
313.16537	2.6
331.17688	19.3
332.17831	2.0
353.12430	3.6
356.56842	1.4
373.18729	8.5
417.25076	2.2
445.20874	32.7
446.21213	3.9
463.21948	93.6
464.22131	15.5
505.22946	44.9
506.23151	7.2
549.29395	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2199
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63290	1.5
55.01768	2.3
57.03331	2.3
59.01265	100.0
61.98689	1.5
68.99722	1.9
69.03304	1.4
69.17767	1.6
69.50311	4.6
69.50733	8.0
71.01273	58.3
72.99194	6.0
73.02840	14.7
75.00773	13.5
80.74226	1.6
83.01279	6.8
85.02842	33.3
85.99998	1.8
87.00761	10.8
89.02340	48.5
95.01284	4.3
96.95921	3.3
97.02881	3.0
98.19807	3.3
99.00768	11.1
101.02348	42.4
109.02834	1.9
113.02363	27.7
119.03429	15.3
119.04932	2.3
123.00806	2.4
123.04415	1.6
124.01589	16.1
125.02402	9.6
131.03421	6.6
133.02873	7.0
134.03632	1.9
135.04466	7.0
137.02399	2.1
143.03439	9.8
149.04509	7.3
149.06013	37.5
151.03799	1.6
151.92259	1.4
161.02411	22.2
161.04500	20.5
162.02872	1.8
169.12312	26.5
177.01891	2.8
179.03503	3.7
179.05568	3.8
188.04724	1.9
191.05615	3.1
193.05064	1.4
205.07233	2.3
213.11212	2.2
219.78586	1.5
222.17690	1.6
227.12892	3.9
231.29552	1.7
235.13522	1.8
255.15952	2.0
277.14514	11.6
313.16537	2.6
331.17688	19.3
332.17831	2.0
353.12430	3.6
356.56842	1.4
373.18729	8.5
417.25076	2.2
445.20874	32.7
446.21213	3.9
463.21948	93.6
464.22131	15.5
505.22946	44.9
506.23151	7.2
549.29395	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1999
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69043	0.9
57.94244	0.8
58.00492	0.9
58.26302	0.9
59.01263	23.1
60.99189	2.7
61.98723	1.2
69.34885	5.5
69.35301	2.3
71.01268	14.8
71.01654	0.9
72.99197	18.8
72.99584	1.4
73.02831	1.8
75.00751	1.9
85.02844	3.8
87.00778	2.1
88.98700	15.8
89.02338	22.9
89.03902	0.8
89.99062	3.0
90.99090	2.4
91.00259	18.4
96.95880	1.3
97.02882	0.9
98.20571	1.6
99.00798	1.1
101.02353	8.1
103.03951	1.0
108.02090	0.9
113.02364	5.0
119.03408	6.3
119.04913	1.1
121.02886	1.7
122.03657	1.0
123.04446	1.1
125.02377	1.7
131.03409	1.2
132.02068	1.1
133.02896	1.4
135.04439	2.8
136.01584	16.6
137.02359	3.5
139.00298	1.5
143.03488	1.2
147.04425	0.9
149.06018	100.0
150.06366	5.8
151.00294	2.8
151.03951	23.9
152.04372	1.2
160.01653	3.2
161.02373	4.0
161.04532	1.9
161.05968	1.3
163.03975	1.6
163.06079	1.5
166.02682	10.8
167.03357	1.3
177.01768	1.4
177.05614	0.8
179.05582	3.4
179.07031	1.9
181.05017	15.6
182.05371	1.5
183.92938	0.8
188.07214	1.5
206.08260	1.8
240.07779	1.8
243.06606	1.1
244.07281	1.6
255.07178	0.8
255.10335	1.6
268.07507	5.7
279.06635	1.7
280.07455	4.7
281.08136	1.1
283.09802	5.4
293.08194	1.6
295.06192	1.2
296.06952	4.3
307.06238	2.3
307.10394	1.4
308.07031	5.3
309.07642	5.2
311.09198	2.2
321.07776	1.0
322.08527	3.2
323.09286	11.6
324.06717	4.0
324.09985	3.6
337.10718	1.4
338.11786	3.3
339.08801	34.8
339.12207	1.9
340.09064	4.2
344.59299	0.9
353.10339	1.2
354.11133	9.4
357.09787	4.2
369.13498	50.9
370.13983	6.5
372.12277	3.0
387.14526	39.7
387.24130	1.8
388.14746	5.0
457.17316	6.8
473.75610	0.8
549.12109	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1989
Annotation	Eucommin A
Peak:m/z	Relative Intensity
55.99306	0.3
57.03345	0.4
59.01265	5.3
61.98718	59.5
63.32444	0.3
69.03363	0.5
71.01270	5.1
71.58186	0.6
72.99188	0.4
73.02836	1.8
75.00774	0.6
80.34333	0.3
83.01292	1.0
83.92306	0.3
84.02081	0.5
85.02852	2.6
87.00780	0.5
89.02334	2.6
92.93922	0.3
95.01307	0.8
99.00782	0.9
101.02349	3.3
107.00270	0.3
108.02100	0.7
109.02859	0.9
111.00788	0.5
113.02363	1.8
119.03420	0.9
119.45786	0.3
121.02892	3.7
122.03664	1.8
123.00825	1.1
123.04435	0.6
124.01591	1.1
125.02377	3.7
131.03494	0.5
133.02892	1.3
135.04474	1.5
136.01595	26.5
137.02414	3.6
138.02972	0.4
139.03970	0.3
143.03413	0.8
147.04449	0.4
149.02379	0.8
149.04457	0.3
149.06038	1.5
151.00328	10.6
151.03951	42.4
152.01109	1.3
152.04416	1.6
153.01903	0.5
153.05513	0.3
154.02647	0.4
159.03046	0.3
159.04425	0.6
160.05211	0.6
161.02437	2.4
161.04526	2.1
161.05779	0.4
162.03038	0.7
163.03969	0.9
164.04739	1.0
165.01921	0.6
166.02670	34.9
167.03178	1.8
173.05969	0.4
175.03972	1.0
175.07605	0.8
177.01901	1.1
177.05600	0.9
178.99907	0.4
179.03482	1.2
179.05560	0.3
179.07063	1.0
181.05032	43.1
182.05409	1.6
187.04063	0.4
188.04686	0.4
189.05518	0.5
190.02661	0.5
190.06276	0.6
191.03456	0.5
192.04306	0.4
195.02898	0.4
195.95747	0.3
199.02881	0.3
203.03488	0.4
203.07062	0.5
205.05179	0.4
205.08768	0.7
207.06650	0.4
219.06708	0.4
231.69504	0.4
235.55595	0.3
243.02937	0.4
243.06789	0.3
259.06091	1.8
269.04660	1.7
271.02548	0.8
287.05731	1.3
300.02911	0.5
311.09448	0.5
329.10339	0.8
331.17642	0.5
333.59113	0.4
341.13983	0.6
357.09882	8.8
358.10095	1.0
369.13458	0.6
372.12204	6.9
373.12418	0.5
383.76614	0.3
387.14587	100.0
388.14920	13.4
445.20840	1.8
445.98318	0.3
463.21973	3.4
464.22281	0.4
505.22876	1.4
515.86426	0.3
522.95972	0.3
548.70380	0.5
549.15918	2.6
549.66479	0.4
550.16785	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1046
Annotation	Unknow
Peak:m/z	Relative Intensity
55.24636	0.2
60.99188	0.3
69.26470	0.4
69.26881	1.8
74.58569	0.2
77.03859	1.7
83.10553	0.2
83.82310	0.2
93.03371	0.4
96.52751	0.2
98.19772	0.4
101.17033	0.2
121.02874	100.0
122.03206	3.8
125.42432	0.2
147.04468	0.4
152.99466	0.2
165.01886	51.9
166.02214	2.3
179.05038	0.2
180.05840	0.5
181.06554	2.8
197.06076	2.5
199.07578	0.2
207.04520	0.7
207.07970	0.3
222.58882	0.2
223.03981	0.3
225.05600	1.7
251.07008	0.2
257.09741	0.9
285.09244	0.4
313.07266	1.3
357.06302	0.9
373.11188	0.2
383.07706	0.6
417.09988	1.4
428.07275	0.2
502.10175	0.2
505.11517	2.0
506.11826	0.3
549.10510	32.5
550.10834	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	547.2411
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85392	1.2
53.47407	1.1
55.01775	2.5
55.49428	1.2
57.03329	1.6
59.01267	82.3
60.01564	1.3
61.98716	2.8
69.03326	2.9
71.01272	38.0
71.58363	1.7
72.99200	24.2
73.02827	8.0
75.00780	1.8
81.03345	4.4
83.01284	29.0
83.04931	14.0
83.09261	1.3
85.02853	11.1
87.00784	12.7
89.02337	9.0
93.03364	32.1
95.01256	1.8
96.95912	2.7
97.02850	1.6
99.00789	7.0
99.04467	1.3
101.02351	16.4
109.02843	6.9
111.00790	18.1
111.04434	51.8
111.20149	1.2
112.04793	1.7
113.02320	8.2
115.00285	22.5
119.03406	1.9
125.02375	2.7
131.03439	1.8
135.04472	1.9
137.02391	23.0
139.00337	7.0
143.03519	2.0
149.04485	1.9
149.06000	5.6
155.03447	100.0
156.03775	2.8
157.01381	13.1
161.02391	9.4
161.04472	9.5
162.02759	2.3
165.05528	2.7
173.04529	21.9
175.02446	40.0
179.03439	1.7
179.05695	1.3
180.20042	1.3
191.05602	10.8
194.74245	1.5
295.10892	2.8
297.17365	1.7
311.11249	2.5
325.03885	1.5
331.17719	34.2
332.17792	3.2
339.09827	2.3
371.12531	5.2
392.12534	1.6
407.77719	1.4
415.16071	1.6
429.13040	1.9
465.64587	1.4
466.14828	2.0
467.14545	4.3
469.20947	4.1
485.15726	4.2
487.13708	2.1
547.24457	2.8
548.14948	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	547.3501
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01775	1.0
55.48982	0.2
56.44614	0.3
57.03342	2.1
58.00470	0.5
59.01265	100.0
60.01600	1.2
61.98717	0.8
63.03193	0.2
64.77675	0.2
69.03337	0.7
69.40501	0.8
69.40932	1.0
70.39313	0.2
71.01273	16.2
71.04925	0.2
72.01629	0.3
72.99221	0.6
73.02837	4.1
75.00756	0.2
79.31557	0.2
80.10611	0.2
81.03360	0.3
83.01278	4.6
85.02846	11.0
85.06543	0.2
85.99992	0.7
87.00781	1.1
89.02345	1.3
95.01281	1.7
95.38152	0.2
96.95929	0.3
97.02863	1.4
98.19848	0.4
99.00777	2.7
101.02348	10.4
102.02690	0.2
103.54237	0.2
111.00790	1.2
112.01578	0.4
113.02358	10.7
114.02705	0.3
115.03946	0.7
119.03434	0.4
124.01588	0.5
125.02361	3.0
127.11178	0.3
129.01878	0.3
130.15500	0.2
133.02873	0.2
135.04478	0.5
141.01851	0.2
143.03438	3.9
145.02885	0.3
147.11732	0.4
149.05986	0.3
149.13315	2.2
157.09665	0.3
157.12294	5.4
158.12570	0.2
159.02913	1.3
161.02483	1.1
161.04503	4.9
179.03441	0.4
183.13864	0.3
205.03554	0.2
313.27576	0.7
317.12689	0.2
325.27545	0.9
343.28574	6.9
344.28818	0.6
355.28394	0.4
367.28723	0.2
385.29578	0.4
392.12076	0.3
427.30722	0.3
439.30984	0.5
451.30664	0.4
457.32077	1.0
469.31760	0.7
487.32889	51.2
488.33243	8.2
505.33936	15.0
506.34445	2.4
547.35138	2.0
548.23187	0.2
548.35730	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3503
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01772	1.1
57.03328	1.5
58.00478	0.4
59.01265	100.0
60.01603	1.0
61.27553	0.3
61.98712	1.6
69.03348	0.8
69.30882	2.5
71.01270	16.1
71.04915	0.6
72.99197	0.8
73.02839	4.8
78.95789	0.3
81.03336	0.3
82.05228	0.2
83.01283	3.3
85.02840	9.9
85.99991	1.0
87.00779	1.2
89.02338	2.6
95.01294	1.8
97.02859	1.5
99.00787	2.5
101.02344	11.2
111.00807	1.0
112.01578	0.6
113.02360	10.3
113.03163	0.5
114.02691	0.3
115.03926	1.2
119.03435	1.0
124.01572	0.7
125.02363	1.8
131.03418	0.2
133.02841	0.3
135.04478	0.4
143.03439	4.8
147.11722	0.2
149.13287	1.0
157.12274	2.7
159.02962	1.3
161.02477	1.2
161.04492	5.0
162.04781	0.2
179.03455	0.3
179.05588	0.4
201.27646	0.2
226.82196	0.3
311.22272	0.2
311.26093	0.3
313.27582	0.5
325.27567	0.8
343.28558	3.8
344.28976	0.3
385.29562	0.5
413.29327	0.4
439.30649	0.6
457.31790	0.7
461.24283	0.4
466.19983	0.3
469.31815	0.9
487.32895	33.5
488.33185	5.1
505.33948	17.3
506.34082	2.4
547.34979	2.4
548.18817	0.5
548.35590	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.2204
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26953	0.7
53.59135	0.7
57.03335	0.8
59.00990	1.5
59.01265	18.0
60.99181	1.6
61.98719	1.2
69.03320	0.7
71.01270	15.2
72.99195	1.7
73.02827	4.0
75.00761	1.9
79.27195	0.7
80.91561	1.4
81.03376	0.8
83.01283	1.6
85.02837	5.2
87.00790	1.5
88.98709	9.5
89.02341	8.2
93.03355	1.1
96.95901	0.9
97.02834	1.0
98.20665	1.1
99.00798	2.1
101.02336	8.6
103.03951	0.9
107.04952	1.0
109.02861	1.4
113.02386	6.1
116.92815	1.3
117.03387	15.6
118.03799	0.8
118.92625	1.2
119.03421	1.7
119.04955	12.9
121.02851	1.6
123.04422	1.9
124.01599	1.8
125.02387	2.1
131.03525	1.5
132.02100	1.8
133.02884	27.1
134.03743	3.7
135.04454	82.4
136.04752	3.4
137.02365	4.3
143.03513	1.1
145.02890	57.8
146.03226	3.7
148.05251	3.2
149.06007	14.1
159.04465	1.1
161.02396	89.0
162.02750	4.9
163.03960	13.1
164.04375	1.1
175.03923	1.3
177.05533	29.5
178.02707	1.6
178.06010	1.5
179.03470	100.0
180.03806	5.2
187.04022	1.3
189.05531	1.1
191.05577	1.9
203.03514	3.0
221.04562	46.5
222.04904	2.4
230.62395	1.3
233.04488	1.2
233.06766	1.2
240.57967	0.8
251.05650	54.4
252.05956	2.2
272.53607	0.8
277.33258	0.8
279.77179	0.7
281.06738	88.0
282.07077	5.3
293.08868	1.2
297.09799	1.3
320.15491	0.9
323.07843	3.4
339.10956	2.4
340.32159	0.9
341.08859	55.8
342.09012	4.2
367.91779	0.9
373.22409	1.2
390.94199	0.8
461.14850	1.2
465.26971	1.0
484.40948	0.9
487.25330	2.9
503.15735	25.5
504.16354	3.5
505.26715	4.3
547.21771	2.7
547.27936	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	547.2199
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21219	0.2
59.01266	4.0
61.98718	0.3
62.86856	0.2
68.01309	0.4
69.57742	1.7
71.01268	3.1
72.99200	0.2
73.02846	0.6
77.96383	0.2
83.01269	0.5
85.02842	1.1
88.98702	0.7
89.02349	1.6
98.20557	0.3
98.99138	0.2
101.02354	1.1
105.03375	0.4
113.02372	0.8
117.03368	1.3
118.81535	0.3
119.03405	0.5
119.04947	1.1
132.02039	1.4
133.02882	29.8
133.59888	0.3
134.03259	1.0
135.04449	10.0
136.04890	0.4
137.02385	0.9
145.02878	0.4
149.05920	0.4
151.07559	0.3
152.08357	0.5
153.09100	1.1
161.02390	100.0
162.02724	5.1
163.03973	1.6
163.38663	0.3
166.21150	0.3
177.05524	1.0
178.02702	0.6
179.03459	6.4
203.03383	0.3
205.12335	1.0
221.04524	0.7
251.05563	0.5
268.15588	0.2
281.06653	0.5
511.21979	0.5
547.21948	78.0
548.22351	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	547.2204
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26953	0.7
53.59135	0.7
57.03335	0.8
59.00990	1.5
59.01265	18.0
60.99181	1.6
61.98719	1.2
69.03320	0.7
71.01270	15.2
72.99195	1.7
73.02827	4.0
75.00761	1.9
79.27195	0.7
80.91561	1.4
81.03376	0.8
83.01283	1.6
85.02837	5.2
87.00790	1.5
88.98709	9.5
89.02341	8.2
93.03355	1.1
96.95901	0.9
97.02834	1.0
98.20665	1.1
99.00798	2.1
101.02336	8.6
103.03951	0.9
107.04952	1.0
109.02861	1.4
113.02386	6.1
116.92815	1.3
117.03387	15.6
118.03799	0.8
118.92625	1.2
119.03421	1.7
119.04955	12.9
121.02851	1.6
123.04422	1.9
124.01599	1.8
125.02387	2.1
131.03525	1.5
132.02100	1.8
133.02884	27.1
134.03743	3.7
135.04454	82.4
136.04752	3.4
137.02365	4.3
143.03513	1.1
145.02890	57.8
146.03226	3.7
148.05251	3.2
149.06007	14.1
159.04465	1.1
161.02396	89.0
162.02750	4.9
163.03960	13.1
164.04375	1.1
175.03923	1.3
177.05533	29.5
178.02707	1.6
178.06010	1.5
179.03470	100.0
180.03806	5.2
187.04022	1.3
189.05531	1.1
191.05577	1.9
203.03514	3.0
221.04562	46.5
222.04904	2.4
230.62395	1.3
233.04488	1.2
233.06766	1.2
240.57967	0.8
251.05650	54.4
252.05956	2.2
272.53607	0.8
277.33258	0.8
279.77179	0.7
281.06738	88.0
282.07077	5.3
293.08868	1.2
297.09799	1.3
320.15491	0.9
323.07843	3.4
339.10956	2.4
340.32159	0.9
341.08859	55.8
342.09012	4.2
367.91779	0.9
373.22409	1.2
390.94199	0.8
461.14850	1.2
465.26971	1.0
484.40948	0.9
487.25330	2.9
503.15735	25.5
504.16354	3.5
505.26715	4.3
547.21771	2.7
547.27936	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	547.1681
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02843	0.2
59.01261	2.9
60.99194	13.9
61.98703	0.3
71.01285	1.6
72.99202	1.0
73.02831	0.4
73.13477	0.2
75.00783	0.3
80.53023	0.2
85.02872	0.5
87.00789	0.6
88.00289	0.2
88.98701	100.0
89.02317	1.6
89.99068	1.0
99.00818	0.3
101.02345	1.2
113.02341	0.5
119.03471	0.2
125.02358	0.2
133.02872	0.2
135.04445	0.7
137.41165	0.2
145.02942	0.3
149.06026	10.8
150.03125	0.2
150.06351	1.6
151.04024	0.2
161.02365	0.5
161.04526	0.3
161.09653	0.3
179.03448	0.2
181.62663	0.2
188.07149	0.9
191.05615	0.3
215.09036	0.2
216.43805	0.2
229.58727	0.2
314.59845	0.2
315.10971	0.7
449.95636	0.2
457.17188	1.2
463.08701	0.2
519.67371	0.2
547.23590	2.0
548.17505	0.3
570.79437	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1683
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78489	1.5
59.01265	24.5
71.01272	19.3
71.57900	1.7
72.99195	2.4
73.02840	12.0
83.01276	2.0
85.02849	5.5
86.00016	1.9
87.00761	7.6
87.04427	2.3
89.02331	12.6
95.01295	1.6
96.95997	1.5
101.02346	13.3
111.00865	1.4
113.02364	7.4
113.32967	1.5
115.03926	2.8
119.03429	3.7
123.04439	2.4
131.03430	6.1
133.02924	2.0
135.04448	21.5
143.03430	4.1
153.05524	1.5
154.20151	1.3
161.02400	6.8
161.04520	1.8
163.06123	2.2
179.07092	3.6
205.07219	3.8
240.11629	1.4
297.09927	2.3
311.94748	1.8
315.10895	12.1
340.34546	1.2
357.12030	9.2
375.45990	1.4
392.62396	1.4
402.95364	1.5
439.32709	1.6
443.15698	3.7
461.16760	19.9
503.17822	100.0
504.18152	14.6
529.15753	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1474
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00988	0.9
59.01265	10.2
61.98732	0.7
62.26272	0.5
71.01276	6.0
73.02827	2.8
83.01292	0.9
85.02856	1.8
87.00789	0.7
88.98700	4.5
89.02357	1.4
95.01277	0.7
96.95927	0.7
97.02859	0.5
98.19662	0.9
99.00785	1.0
100.08393	0.5
101.02348	2.8
107.04921	0.5
113.02357	2.8
117.03378	29.5
118.03730	1.4
119.04943	35.9
120.05268	1.2
122.30941	0.5
123.04414	4.2
125.02370	1.0
126.39946	0.6
131.22971	0.5
133.02892	1.6
135.04448	6.5
145.02892	100.0
146.03221	4.7
149.06042	0.6
153.05515	2.5
159.04466	0.6
161.02414	4.2
161.04573	0.6
161.06030	1.1
162.03125	0.6
163.03961	42.8
164.04347	2.2
177.05539	1.8
179.03470	1.1
179.91879	0.5
187.03995	1.4
190.69185	0.5
205.05128	1.6
215.09384	0.5
297.09869	6.2
298.10245	0.8
315.10938	0.7
339.10907	6.4
340.11261	0.5
357.11932	1.2
392.12332	1.0
461.14789	2.9
503.15692	71.4
504.16058	10.7
547.15912	0.5
547.27582	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.298
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	0.8
57.03340	3.8
59.01264	14.5
61.98706	1.3
69.03359	1.1
69.24700	3.9
69.25116	1.2
71.00895	0.8
71.01271	9.0
71.04915	2.2
72.86895	0.4
73.02827	2.0
76.40450	0.4
83.01280	1.0
83.04910	2.3
85.02834	2.7
85.06489	2.0
87.00776	1.3
87.04423	1.1
88.74236	0.4
89.02332	6.9
89.35686	0.4
95.01267	0.7
95.04915	0.6
96.95888	0.5
97.02843	1.8
97.06474	0.9
99.00788	0.9
99.04425	0.5
101.02353	7.6
109.06501	2.3
111.04422	1.7
111.08037	0.5
113.02377	4.8
119.03455	2.2
125.02358	0.6
127.07540	0.5
131.03456	0.5
135.04430	0.9
137.09622	0.6
143.03438	0.9
161.02368	1.1
161.04498	5.3
166.00371	0.5
167.10776	0.7
171.10266	0.9
179.05588	1.6
179.14372	1.8
181.12343	1.1
195.13889	15.8
196.14223	1.0
205.12328	1.8
209.15556	0.5
217.00346	0.5
217.15912	0.7
221.15471	8.5
222.15768	1.1
223.13417	5.7
224.77203	0.4
229.19678	0.8
233.15448	1.2
235.17159	0.9
239.16612	2.6
247.20692	1.0
251.16571	1.5
253.09329	40.8
254.09669	1.7
258.55231	0.4
273.18674	1.7
291.19742	26.9
292.20184	2.3
309.20786	100.0
310.21152	9.5
331.15613	0.9
343.22186	0.5
485.31061	0.9
545.29877	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	545.2619
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01777	2.8
57.03335	7.2
58.00483	1.3
59.01265	73.7
60.01601	0.9
61.98734	2.1
61.99020	0.5
68.99697	0.6
69.03337	3.3
71.01271	51.7
71.56812	0.8
72.01623	0.5
72.99189	3.0
73.02839	20.1
75.00761	2.2
81.03358	1.0
83.01276	7.6
84.02070	0.5
85.02845	39.7
85.99997	0.9
86.03175	0.8
87.00769	6.4
87.04401	0.6
88.98700	0.7
89.02340	20.1
89.47070	0.4
93.03372	0.5
94.25020	0.4
95.01292	3.9
96.95914	1.1
97.02842	4.5
99.00784	10.9
99.04415	0.6
100.59560	0.4
101.02348	34.9
102.02672	0.4
111.00819	1.4
113.02364	23.1
114.02705	0.5
115.03926	1.2
117.03391	0.4
119.03434	3.3
119.04980	0.6
121.06490	0.4
123.00841	0.9
123.08108	1.1
124.01588	18.7
125.02386	8.5
127.00291	0.5
127.03936	0.6
129.01866	1.2
131.03410	3.0
133.02867	1.5
135.04448	2.0
137.02415	0.6
137.09656	3.4
139.03940	0.6
139.11267	0.7
143.03436	7.4
144.03616	0.5
145.02934	0.7
148.05232	1.6
149.02562	0.4
149.04509	2.9
149.09647	1.1
159.02995	3.3
161.02458	3.9
161.04495	13.6
161.05835	0.9
162.04774	0.7
163.07628	1.2
164.07916	0.7
165.12852	1.1
169.04955	0.5
177.05536	0.9
179.03508	1.2
179.10814	0.5
185.04561	0.6
191.05650	1.1
203.05669	0.5
205.03511	0.9
205.07164	3.5
209.15466	34.6
210.15781	2.6
233.15532	1.0
249.14935	1.3
267.16110	0.5
275.07602	0.5
275.16650	1.0
279.16043	0.8
284.56100	0.4
289.18179	1.3
295.19318	0.9
317.13882	0.9
317.17651	21.3
318.17999	2.5
335.18781	1.9
353.19794	8.9
354.20056	1.5
371.20822	27.4
372.21240	3.5
392.12183	0.8
413.21869	6.9
414.22168	0.6
485.24023	26.9
486.24304	4.3
501.18991	0.9
503.25110	100.0
504.25455	14.7
509.20294	1.0
545.18066	0.8
545.26147	12.3
546.26794	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	545.1522
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46181	0.3
57.03337	0.5
57.21375	0.3
58.53807	0.3
59.01252	1.8
59.54161	0.3
60.99794	0.3
67.01768	0.4
71.01266	1.3
71.58376	0.6
78.95815	1.5
78.96229	0.2
79.76815	0.3
81.03352	0.3
83.04911	0.4
84.26336	0.3
85.02838	9.2
87.00772	2.0
93.03364	3.8
95.37763	0.3
96.95914	2.7
96.96866	2.0
99.04391	0.5
109.02859	0.8
111.04435	1.3
127.03948	2.1
133.02876	0.5
135.04448	1.1
137.02402	0.3
152.64241	0.3
161.02373	1.8
171.03011	0.5
173.04477	1.9
179.03418	0.5
191.05576	100.0
192.05922	4.2
228.74551	0.3
353.08789	11.7
354.09000	1.4
447.15015	0.5
461.61383	0.3
501.65213	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.2986
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01779	0.4
59.00991	0.7
59.01264	7.5
60.01586	0.4
61.98702	2.0
69.75337	2.9
71.01273	6.2
73.02853	0.6
83.01272	0.8
85.02830	1.5
87.00779	0.8
89.02338	7.3
101.02353	7.5
109.06489	1.0
110.64212	0.4
113.02377	3.6
119.03389	1.7
131.03482	0.5
133.02818	0.6
135.04430	0.6
137.09631	1.0
143.03372	0.8
145.02846	0.8
161.02385	2.6
161.04434	2.9
162.02715	0.5
162.12894	0.5
168.10257	6.0
174.12846	2.5
179.05559	0.9
195.13840	0.5
200.14487	0.9
210.11301	0.8
215.03047	0.4
217.79050	0.4
220.13405	1.0
233.08144	0.5
235.08305	0.8
236.12958	1.0
242.19177	1.4
244.20724	4.6
253.09325	30.5
254.09657	1.9
270.18677	4.7
276.21048	0.6
288.19748	20.0
289.20346	3.0
306.20807	100.0
307.21167	10.0
336.50693	0.5
528.79883	0.5
541.70288	3.7
542.20947	2.9
542.29407	3.1
542.69958	0.5
543.29700	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.2047
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44042	0.2
59.01269	0.9
61.98718	100.0
98.19829	0.4
101.67081	0.2
119.04967	0.5
163.03951	0.8
167.53387	0.2
405.86853	0.2
479.20560	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.2981
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01775	0.8
59.01265	11.4
61.98723	1.0
69.75912	1.0
69.76315	3.1
71.01267	7.7
73.02835	1.5
83.01254	0.9
85.02852	1.6
87.00751	1.5
89.02334	6.0
95.04926	0.6
96.85846	0.5
97.02859	0.8
97.06505	0.8
101.02346	7.4
108.78847	0.5
113.02348	3.7
116.62945	0.6
119.03441	2.6
125.09595	0.8
131.03412	0.6
161.04565	3.4
163.11183	0.9
169.12323	0.7
179.03487	0.6
179.05579	1.2
185.11813	0.6
197.11807	0.8
209.11861	2.7
211.13443	1.0
220.13475	0.6
237.11378	0.8
244.20610	0.7
245.19116	1.4
253.09332	36.0
254.09694	1.6
276.21042	3.9
277.21414	0.7
288.19745	5.6
289.18094	8.0
306.20816	100.0
307.18872	3.7
307.21237	7.0
369.73721	0.6
542.29840	6.3
543.29883	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	540.2308
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01264	0.4
61.98715	100.0
62.35235	0.1
62.98402	0.3
69.69628	0.5
69.70055	0.2
70.55706	0.1
71.01270	0.5
73.02843	0.2
78.25661	0.1
78.79960	0.1
85.02854	0.2
85.44059	0.1
85.99883	0.1
89.02357	0.2
98.19796	0.2
101.02336	0.2
113.02400	0.1
120.32927	0.1
133.02850	0.1
135.04408	0.1
161.02411	0.4
179.03433	0.2
223.41055	0.1
326.77811	0.1
385.62753	0.1
401.24994	0.1
480.24237	0.5
518.07336	0.1
540.21265	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.2041
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08648	0.1
54.96411	0.1
59.01274	0.2
61.98716	100.0
62.98411	0.2
62.99164	0.1
63.99134	0.1
64.82276	0.1
69.39665	0.6
69.40072	0.1
77.92192	0.1
85.48095	0.1
119.04938	1.0
120.05303	0.1
121.02892	0.1
145.02927	0.3
152.99741	0.1
163.03954	1.5
164.04456	0.1
171.75967	0.1
189.38309	0.1
291.96017	0.1
315.16165	0.3
403.41760	0.1
406.04474	0.1
479.20905	1.1
480.21381	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.1887
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01381	0.5
59.01267	1.3
61.98716	92.7
62.53287	0.4
63.07711	0.4
69.12258	0.4
70.01325	2.4
72.57795	0.4
89.03915	0.5
89.15610	0.4
90.51982	0.4
117.03369	4.3
118.03712	0.5
119.04919	0.7
133.02890	6.4
134.03658	1.0
135.04442	1.9
137.02385	1.2
138.46837	0.4
145.02884	47.1
146.03227	2.3
153.40205	0.4
161.02390	29.3
162.02737	1.5
169.28926	0.4
178.02742	0.5
179.03479	1.7
312.80765	0.5
315.16144	1.8
331.15570	39.1
332.15839	4.5
477.19266	100.0
478.12766	0.8
478.19669	16.5
540.25739	0.6
549.42535	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.1889
Annotation	Unknow
Peak:m/z	Relative Intensity
56.67455	0.1
59.01277	0.3
61.98717	100.0
62.98401	0.1
70.17204	0.6
71.01272	0.2
76.57625	0.1
79.63649	0.1
81.23251	0.1
85.98676	0.1
92.15812	0.1
117.03413	0.2
119.04933	0.3
121.02905	0.2
133.02879	0.5
135.04480	0.4
145.02882	0.7
161.02412	1.2
163.03893	0.2
195.48466	0.1
226.39122	0.1
431.10184	0.1
462.97806	0.1
477.19272	0.8
540.19647	0.7
540.69855	0.3
541.20032	1.4
559.78485	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	539.3089
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01768	4.6
57.03341	5.4
58.00481	1.7
59.01266	100.0
60.01596	1.5
61.62844	0.8
61.98716	2.3
68.99706	0.9
69.03350	1.5
71.01270	52.5
71.04957	1.0
71.57840	0.8
71.58266	1.0
72.01590	1.1
72.99207	2.8
73.02836	16.8
75.00764	1.9
81.03350	1.1
83.01278	11.2
85.02843	35.9
85.99995	1.0
86.03203	1.5
87.00762	3.7
89.02332	7.6
95.01283	7.1
97.02868	1.9
99.00777	8.1
99.08033	1.2
101.02345	37.3
102.02689	1.2
108.02082	0.9
109.02876	1.2
111.00803	2.6
112.01616	1.6
113.02354	25.1
119.03446	1.7
120.06831	0.9
121.02856	1.1
124.01505	1.5
125.02374	3.3
129.01863	1.3
129.09134	5.7
135.04437	2.4
137.54103	0.9
143.03442	2.4
145.02837	1.0
147.06613	1.9
159.02930	3.1
161.02502	4.3
161.04495	19.9
163.03941	1.0
179.03510	1.1
230.77217	0.9
243.19691	3.3
269.31787	0.9
275.57581	1.0
285.20697	2.0
301.22949	0.9
303.21722	4.1
326.10361	1.0
373.41089	0.8
387.23822	7.1
405.25018	68.3
406.25485	9.2
429.25006	63.5
430.25348	8.7
447.26062	47.8
448.26331	5.8
465.27145	21.4
466.27423	3.7
487.38861	1.1
503.25473	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2152
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26643	0.4
51.75214	0.4
55.01695	1.3
55.01931	0.4
57.03283	0.9
58.00415	0.4
59.01193	11.1
59.01524	1.4
59.50508	0.4
61.98635	2.1
63.93052	0.4
63.99070	0.4
70.48422	1.2
71.01192	13.7
71.01615	1.3
72.99113	1.3
73.02760	5.5
73.03196	0.6
75.00694	0.7
83.01199	3.4
85.02846	8.5
85.99912	1.1
87.00690	1.9
87.01179	0.5
89.02257	4.5
93.03263	2.0
95.01198	1.7
95.42632	0.4
97.02787	0.7
99.00761	2.6
99.04382	0.4
101.02351	13.3
101.02980	0.7
102.02618	0.6
109.02803	0.5
110.87521	0.4
111.00692	1.1
113.02369	4.8
119.03289	1.6
120.03674	0.4
121.02875	4.0
122.03673	3.8
123.00684	0.4
124.76927	0.4
125.02280	0.7
129.01723	0.4
132.01971	1.4
133.02884	6.0
134.03537	1.5
135.04366	1.1
136.01498	1.2
137.02287	1.0
141.01694	0.4
145.29543	0.4
145.71213	0.4
146.03601	0.6
147.04317	1.2
148.03896	0.5
149.02386	24.0
149.06039	2.3
150.03181	33.7
150.04312	1.2
151.03458	1.5
159.02826	0.7
161.02390	3.4
161.04401	1.2
161.05725	0.4
162.02898	0.5
163.03764	0.5
164.04747	6.0
165.01750	1.1
165.05533	29.5
166.06287	3.9
167.03366	0.5
167.06926	1.6
177.05560	0.5
179.03360	1.2
179.05524	0.7
180.04337	2.5
181.08685	6.1
193.16827	0.4
195.06616	10.5
270.09018	0.5
283.09937	0.7
314.11679	5.6
315.12369	2.0
329.14041	11.8
330.14346	1.9
343.14056	12.2
344.14343	1.1
346.81467	0.4
357.15430	0.5
377.10522	0.9
378.11572	0.7
397.15091	0.5
458.13113	0.4
477.14001	0.9
479.21729	0.4
491.19373	100.0
492.12183	0.5
492.19672	14.5
539.21533	21.6
540.22003	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.236
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01773	3.7
57.03336	1.8
58.00477	2.9
59.01267	66.9
61.98713	4.9
65.44598	1.1
69.03342	1.2
69.44209	9.4
71.01270	75.1
72.01614	1.5
72.99197	4.1
73.02839	16.7
83.01279	9.3
85.02846	25.7
87.00774	3.8
89.02342	48.8
93.03366	2.9
95.01292	4.2
96.95953	1.3
97.02863	2.7
99.00780	5.7
101.02351	52.8
102.61646	1.1
108.44609	1.0
109.02878	1.1
111.00821	1.1
113.02363	29.2
118.21802	1.3
119.03416	15.0
121.02837	3.3
122.03676	6.7
125.02390	2.4
131.03444	2.7
133.02869	8.5
134.03661	1.3
135.04440	5.0
137.02386	1.6
143.03447	4.0
149.02390	13.6
149.04466	6.2
150.03175	43.0
151.03526	2.2
159.02950	3.1
161.02414	17.6
161.04457	14.6
162.03162	3.7
164.04765	2.4
165.05533	38.4
166.06181	4.1
174.79797	1.0
177.05562	2.7
179.03448	2.1
179.05569	6.8
180.04204	2.7
181.04977	1.3
181.08667	3.9
191.05524	2.4
195.06609	21.4
196.06989	1.1
225.07794	1.2
233.06703	1.6
243.78987	1.1
314.11697	2.7
329.14014	4.1
343.14041	8.8
347.17184	68.3
348.17523	4.9
356.07559	1.2
377.10751	3.6
377.15756	1.8
440.50082	1.3
477.14047	8.2
479.21442	100.0
480.21695	11.4
491.19391	43.1
492.19540	6.7
539.21942	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	539.215
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01776	2.3
55.20404	0.8
57.03337	2.1
58.00481	5.2
59.01265	100.0
61.98719	1.8
69.26857	8.7
71.01270	76.7
72.01614	0.9
72.99194	6.3
73.02840	5.8
75.00768	0.8
83.01286	5.2
85.02845	15.5
87.00769	4.4
89.02338	95.8
90.02691	1.7
93.03371	3.5
95.01281	5.4
95.04900	0.9
96.95908	4.5
97.02859	1.2
99.00779	2.5
101.02345	43.2
102.02664	2.1
104.28379	0.8
108.02093	2.3
109.02810	1.2
111.00790	1.5
113.02354	32.8
114.02667	0.9
119.03420	38.5
120.01237	0.9
121.02859	8.1
122.03654	9.4
123.04419	3.1
125.02384	2.1
131.03433	4.3
132.40300	0.9
133.02901	6.0
134.03635	2.2
135.04443	3.0
136.01595	1.7
137.02385	1.9
143.03442	6.1
144.03778	0.8
145.02905	2.8
146.03716	1.2
147.04492	1.4
149.02382	23.1
149.04485	3.3
149.06073	1.0
150.03168	75.1
151.03716	2.5
161.02391	9.0
161.04515	7.4
161.05765	1.3
162.03189	17.6
163.03725	0.9
164.03522	1.4
164.04718	6.4
165.05522	81.3
166.06267	12.7
167.06738	0.9
169.67278	0.9
177.01895	2.1
177.05537	15.0
179.03447	3.0
179.05571	21.2
180.04274	7.2
180.05673	1.4
181.05034	1.1
181.08667	10.6
195.06606	42.1
196.06877	2.2
207.96552	0.9
270.09082	1.0
314.11642	3.7
315.12436	1.3
329.14041	8.6
330.14346	0.9
341.10355	1.1
343.14014	14.2
344.14224	1.2
344.65991	0.8
347.17200	1.8
357.12097	1.1
359.14801	1.0
377.16016	1.2
466.94449	0.8
477.14276	2.3
479.21515	2.7
491.19351	78.0
492.19583	11.1
539.21576	13.0
539.34583	3.5
540.22144	1.9
559.91858	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2566
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03333	1.0
58.00461	2.8
59.01265	83.9
59.24644	0.6
60.01590	1.0
61.98719	2.0
69.03346	1.6
69.27361	5.6
69.27768	1.1
71.01271	32.1
72.99204	4.8
73.02838	27.5
73.03252	1.3
75.00767	1.3
81.03349	0.6
83.01273	2.2
83.04940	0.6
85.02841	16.3
85.99999	1.4
87.00774	8.0
87.04438	3.0
89.02338	29.4
91.63669	0.5
93.03360	1.7
95.01299	1.0
97.02854	1.6
98.19795	1.0
99.00783	1.7
99.04412	0.7
101.02350	60.9
102.02695	1.9
103.03915	21.7
108.02080	1.2
109.02867	3.6
113.02364	6.2
115.03944	4.0
119.03421	10.5
119.04768	0.6
119.87994	0.6
121.02892	0.8
124.01564	0.8
125.02368	4.4
127.03969	2.1
131.03435	9.3
133.02898	1.1
135.04451	4.0
137.02354	0.9
142.12231	0.6
143.03442	12.0
144.03757	0.7
145.02957	0.7
145.05022	6.7
146.03679	2.6
149.02399	1.1
153.01880	2.7
161.02402	2.7
161.04495	2.3
161.06042	1.6
163.06073	100.0
164.06422	3.2
167.26270	0.6
168.00551	1.1
179.03450	1.2
179.05627	0.6
191.05630	1.1
205.07158	19.7
206.07532	1.0
211.74959	0.6
212.86494	0.6
235.08199	1.5
265.09341	12.7
266.09833	0.8
279.73447	0.7
291.62939	0.6
295.10104	1.0
298.43842	0.6
307.10345	1.9
312.10071	0.6
315.07574	0.6
315.10944	3.6
325.11453	3.9
357.13428	1.0
405.25037	1.5
422.07397	0.6
477.23569	6.1
477.30103	1.0
478.23886	1.0
495.24237	1.0
530.53931	0.6
537.13037	1.7
537.20465	1.1
537.32617	11.6
538.13922	0.9
538.33081	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2567
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	4.9
57.03337	3.8
58.00491	3.0
58.59934	1.8
59.01270	56.7
61.48365	2.1
61.98706	8.5
71.01275	66.5
71.15768	1.8
71.57793	1.9
72.99176	3.8
73.02840	17.1
75.00757	3.7
81.15937	2.0
82.90118	1.8
83.01269	11.9
85.02840	29.1
87.00771	6.3
88.98695	6.1
89.02334	22.9
95.01273	6.2
95.38229	1.9
97.02848	4.4
99.00777	5.9
101.02348	59.1
102.02689	2.5
102.83487	1.8
111.00736	2.7
113.02354	25.0
119.03396	8.1
119.04940	2.4
121.02892	3.2
123.04438	4.8
125.02340	7.5
125.55441	2.1
126.05504	2.1
131.03453	2.1
133.02910	10.0
135.00806	2.4
135.04466	11.7
149.02362	6.6
149.06085	3.0
150.03152	6.4
152.07053	3.1
159.02876	4.3
161.02397	18.5
161.04494	20.5
162.01784	2.4
163.03960	4.2
164.04649	2.8
165.05479	2.5
175.00336	11.0
179.03452	5.6
179.05592	10.0
190.02716	24.7
203.03471	2.0
205.03323	3.0
205.05046	28.6
209.04439	2.1
220.66940	2.0
221.06595	4.7
223.06146	4.3
227.88704	2.3
243.06665	9.4
263.07703	3.1
268.95865	2.5
287.22336	6.1
315.18195	15.4
375.27554	5.8
392.12579	2.8
414.61441	7.6
449.27646	14.5
477.23581	100.0
477.30682	5.4
478.24026	19.3
478.30328	3.0
537.22949	34.5
537.32117	12.2
537.67889	19.8
538.17352	11.8
538.31775	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	537.2566
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01767	3.0
55.80480	1.0
57.03329	1.6
58.00481	1.2
59.01262	23.0
61.98719	2.0
63.64898	1.0
68.64281	0.8
71.01270	32.1
73.02834	15.9
83.01292	5.6
85.02840	13.5
87.00784	2.1
89.02350	8.5
95.01285	3.2
97.02864	1.0
98.20495	2.6
99.00779	4.2
101.02345	28.5
108.92174	0.9
109.40022	1.1
113.02362	13.3
119.03428	3.7
125.02369	3.5
135.04466	2.2
143.03453	2.2
150.78874	0.9
159.02943	2.1
161.02345	2.8
161.04506	18.4
166.06332	1.1
173.20340	0.9
174.98293	1.1
190.47676	1.0
192.48743	1.0
230.72687	1.0
315.11072	1.2
315.18158	20.3
316.18515	2.6
429.78543	1.2
442.73633	1.1
477.23502	100.0
478.23883	16.4
537.20056	2.2
537.32721	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	537.2359
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01772	0.7
57.03335	0.7
59.01271	7.2
61.98718	4.8
64.84541	0.5
69.03331	1.1
70.22382	0.5
71.01276	7.2
71.27882	1.0
71.28231	0.6
72.20047	0.5
72.99203	0.7
73.02840	2.8
75.00758	2.1
83.01271	1.6
83.04958	0.5
85.02856	4.3
87.00769	0.6
88.98687	1.2
89.02340	3.0
91.01831	0.6
93.03365	1.3
95.01289	0.8
97.02816	1.6
99.00755	1.1
101.01880	0.4
101.02354	4.5
105.53691	0.6
107.04961	0.7
108.02081	0.7
109.02921	0.7
113.02359	3.5
117.88376	0.5
119.01315	2.6
119.03407	0.7
119.04954	0.8
121.02860	1.9
122.06029	0.7
123.04430	0.7
125.02357	2.8
133.02876	1.6
134.03645	1.7
135.00800	1.6
135.04430	3.8
137.02365	1.0
145.02870	1.0
147.00832	3.3
149.01247	0.7
149.02400	8.8
149.05904	1.0
150.02995	0.9
151.00244	0.7
151.03951	1.0
152.01128	4.7
152.07095	0.7
161.02412	3.5
161.04536	1.8
163.03923	1.6
164.04758	6.7
165.01855	1.3
167.03400	0.7
169.04999	0.6
175.00333	20.9
175.03816	0.9
176.00673	1.6
179.03477	1.5
179.07137	1.5
190.02692	60.5
191.03061	3.4
192.04211	0.6
194.02242	0.7
203.03555	0.8
205.05055	66.9
206.05463	3.7
207.03123	0.9
208.03728	1.3
209.04494	1.6
223.06146	7.8
224.06395	0.6
243.06650	5.5
251.05617	1.0
262.33368	0.5
285.25174	0.6
287.22302	0.7
294.81281	0.6
316.57104	0.6
507.19690	1.7
522.21173	1.6
536.73792	1.3
537.23492	100.0
538.23901	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	537.1993
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32856	0.7
55.01754	1.2
57.03325	1.2
58.00470	4.3
58.02853	1.0
59.01263	77.1
60.01588	1.1
61.98726	1.6
71.01270	62.4
72.99203	6.1
75.00764	1.3
83.01273	2.5
85.02841	10.0
87.00772	3.8
89.02338	100.0
90.02678	1.6
93.03349	1.2
95.01273	3.2
96.28255	0.7
96.95883	0.8
99.00775	1.3
101.02345	32.0
101.03014	1.6
109.02859	3.0
113.02359	25.1
114.02668	1.2
119.03416	33.9
120.03740	1.0
121.02863	2.5
122.03632	2.2
125.02328	2.0
131.03436	4.4
133.02853	1.8
135.03101	0.7
135.04398	1.5
136.01575	3.0
137.02382	1.3
143.03415	6.1
143.05020	1.2
144.34619	0.7
145.02893	1.4
146.03685	4.2
147.04338	1.0
148.05162	0.9
149.02420	5.6
149.04492	3.4
149.06061	0.7
150.03166	13.0
151.03970	4.9
161.02419	4.0
161.04483	7.1
161.05763	1.5
162.03093	2.6
163.03906	1.0
164.04767	4.9
165.05530	15.3
171.04451	0.8
177.05562	2.1
179.03441	1.3
179.05551	18.3
179.07101	4.5
187.03984	3.3
187.06084	1.1
188.04703	1.4
189.05560	1.0
191.05583	1.3
191.07109	2.4
194.05914	0.8
195.06596	9.5
202.06277	2.5
203.06992	0.7
211.07834	0.8
223.07608	3.4
235.07607	1.6
238.10030	1.2
250.06976	0.7
251.07170	19.6
251.20152	0.8
252.07448	1.8
254.70726	0.8
262.06293	1.3
263.07141	5.7
264.07901	2.9
265.08472	1.5
266.09525	3.3
277.08621	1.5
278.09473	2.7
279.06689	47.9
280.06992	5.8
293.08273	9.5
294.09018	28.3
295.09329	3.0
297.07510	1.1
309.07639	2.4
309.11353	16.4
310.12103	1.3
323.09293	1.7
324.10196	6.8
327.08759	5.2
327.12451	5.7
339.12424	40.6
340.12775	6.4
341.10468	1.5
342.11212	4.4
357.10236	2.0
357.13522	41.3
358.13870	5.1
477.23489	1.9
489.17618	2.0
519.18646	2.5
537.18732	1.3
538.20648	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.199
Annotation	Tanegoside
Peak:m/z	Relative Intensity
52.99570	1.3
55.01757	1.5
58.00483	2.7
59.01265	50.6
61.98723	2.3
65.35052	1.3
71.01271	38.3
72.01601	1.1
72.99198	5.1
73.02845	1.9
75.00748	2.4
83.01267	1.4
85.02844	6.7
87.00788	2.7
89.02340	54.1
95.01290	2.8
99.00794	1.2
101.02345	27.3
108.02112	2.0
109.02859	13.0
113.02351	15.5
119.03424	27.9
121.02843	3.7
122.03638	1.7
123.04435	2.7
125.02361	1.4
131.03394	3.1
133.02872	1.5
135.37885	1.4
136.01582	15.5
137.02417	2.9
142.16595	1.2
143.03406	5.0
145.02905	1.6
146.03651	4.4
147.04436	1.5
149.02463	6.6
149.04465	2.8
150.03107	4.9
151.03961	19.3
159.04440	1.6
161.02367	4.2
161.04448	4.1
161.05772	1.4
163.03957	2.5
164.04686	2.3
165.05562	6.8
171.04454	2.4
172.05191	4.0
173.06033	1.8
175.02655	1.2
175.03896	5.8
175.07590	1.3
176.04707	3.6
179.05592	11.1
179.07021	2.1
187.03989	5.9
188.04691	2.9
189.05522	3.0
190.06247	3.9
191.05533	2.0
191.07098	5.9
195.06589	7.3
201.05508	1.3
202.06314	5.1
203.07028	4.3
229.63344	1.1
251.07156	2.3
263.07208	2.6
267.06708	4.8
278.05994	2.2
278.09540	1.3
279.06747	8.6
280.07425	1.8
282.09088	4.1
291.06656	1.3
293.08325	3.3
294.09003	9.5
295.09976	1.5
297.07895	3.2
297.11389	9.1
305.08218	1.3
309.07690	4.7
309.11234	3.5
312.10065	14.1
313.10590	1.3
315.12350	1.4
323.09189	3.6
324.09985	14.4
325.10324	1.7
327.12439	72.1
328.12766	8.9
339.12439	100.0
340.12750	14.4
345.13513	6.9
357.13495	17.1
358.13708	2.4
375.14474	9.2
376.14551	1.5
384.00406	1.5
447.14301	2.1
477.19873	1.7
519.18744	4.8
536.65167	2.0
537.19855	30.3
538.19958	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.199
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01763	1.0
55.12817	0.7
56.51072	0.6
57.03328	1.2
58.00481	4.4
59.01262	91.3
60.01600	1.1
61.98713	2.2
68.04744	0.7
71.01266	72.9
71.59898	1.3
72.93678	0.7
72.99203	7.5
73.02831	1.4
75.00744	0.8
76.94247	0.6
79.17406	0.7
81.03353	0.8
83.01271	2.8
85.02845	12.4
87.00752	4.5
89.02334	100.0
90.02681	1.2
95.01293	4.7
101.02341	35.9
109.02847	4.9
113.02353	27.5
114.02647	1.0
116.00602	0.9
116.41306	0.7
119.03418	36.0
120.03754	0.8
121.02884	1.9
122.03631	1.3
123.04397	1.0
125.02390	1.9
131.03456	4.0
133.01361	0.8
133.02902	1.9
135.04460	1.9
136.01614	4.2
137.02312	1.5
143.03418	7.8
143.05028	0.9
145.02930	2.3
146.03685	5.9
147.04463	1.0
149.02399	5.7
149.04457	3.0
150.03149	9.8
151.03941	5.6
159.04434	1.4
161.02431	5.9
161.04494	7.0
161.06020	2.2
162.03136	2.9
163.03983	1.8
164.04698	4.5
164.47099	0.8
165.05524	11.1
171.04385	0.9
172.05220	1.2
174.03218	0.8
177.05542	2.3
179.03513	2.5
179.05565	18.8
179.07085	5.0
180.04256	1.6
187.03987	3.4
188.04697	1.3
191.07103	3.9
195.06596	6.7
202.06311	1.4
203.07164	1.7
207.08148	2.0
223.07664	4.3
235.07710	2.1
238.10027	2.6
251.04503	1.1
251.07161	23.7
252.07484	2.6
253.05011	0.9
261.05643	1.0
262.06332	1.5
263.07153	5.2
264.08008	4.0
265.08792	0.9
266.09402	3.7
277.08633	1.7
278.06433	0.8
278.09418	3.7
279.06677	59.9
280.07150	5.3
291.06476	1.1
293.08282	11.1
294.09033	37.4
295.09424	4.3
304.06360	0.9
308.10526	1.0
309.07690	2.9
309.11282	20.0
310.11783	2.1
312.09964	1.0
323.09171	2.6
324.10052	8.0
327.08801	3.3
327.12479	4.9
339.12433	34.7
340.12875	4.2
341.10413	1.8
342.11224	6.0
357.09961	2.7
357.13522	44.5
358.13928	6.0
375.14487	1.0
477.23325	1.4
489.17868	2.6
519.18524	2.5
537.17352	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.1635
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02672	0.1
54.76743	0.1
54.78120	0.1
55.86816	0.1
59.01260	1.9
61.98716	100.0
62.98421	0.2
63.57798	0.1
67.53077	0.1
71.01270	1.5
71.56583	0.1
73.02824	0.2
82.87244	0.1
85.02864	0.4
89.02338	1.9
89.15774	0.1
95.01340	0.1
101.02338	0.8
102.44164	0.1
109.02890	0.1
113.02355	0.6
119.03429	0.7
123.04454	0.1
125.02488	0.1
133.02890	0.9
135.04469	0.5
143.03395	0.2
146.03799	0.3
149.02371	0.1
149.06064	0.7
150.03200	0.3
150.06401	0.3
151.03912	0.2
161.02405	2.0
161.04535	0.3
161.05981	0.2
162.03169	0.3
164.04779	0.3
165.05505	0.2
165.88469	0.1
177.05473	0.2
179.03488	0.3
179.05563	0.4
179.07158	0.5
309.11505	0.2
311.11313	0.2
337.54575	0.1
374.83051	0.1
477.23523	0.3
489.13925	0.3
519.15210	0.2
535.65192	0.3
537.16260	0.5
537.23804	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1625
Annotation	Alboside IV
Peak:m/z	Relative Intensity
58.00486	0.6
59.01266	1.9
61.98728	0.2
63.73846	0.2
71.01270	2.0
71.58083	0.3
73.02833	0.4
80.02090	0.2
83.01254	0.3
85.02865	0.7
87.00776	0.8
89.02341	1.2
89.03895	0.2
93.03343	0.2
94.00059	0.2
95.01266	0.2
96.67419	0.2
97.02838	0.2
99.00768	0.3
101.02336	1.4
105.03384	0.7
107.04948	0.3
108.02090	0.5
109.02869	0.6
111.00786	0.4
113.02349	0.9
117.03362	1.0
119.03391	0.3
120.01176	1.0
121.02878	0.8
122.03660	0.5
123.04449	1.2
131.03397	0.2
132.02089	2.1
133.02885	33.1
133.34177	0.2
134.03601	1.6
134.13275	0.2
134.37230	0.2
135.04454	14.7
136.04793	0.7
137.02412	1.5
137.05972	0.2
139.03908	0.3
145.02896	0.9
147.04457	0.3
149.02402	2.5
149.04492	0.4
149.06009	0.9
150.03174	10.4
151.03957	1.6
153.05618	0.4
157.04582	0.2
159.04492	0.3
160.01587	1.0
161.02393	100.0
162.02727	5.1
163.03940	1.1
164.04694	0.9
165.04109	0.3
165.05511	7.3
165.06842	0.4
175.03986	2.3
177.01863	0.3
177.05527	2.3
178.02666	0.6
179.03459	12.1
180.04155	1.1
181.05060	0.5
191.07187	0.3
193.05045	1.7
194.05904	0.3
195.06616	2.3
203.03482	0.7
207.06717	0.3
220.03810	0.3
221.04559	2.4
222.04886	0.2
227.07191	0.2
235.06157	0.6
251.05623	0.4
263.05637	0.4
265.07147	0.5
279.06607	0.2
280.05801	0.5
281.06750	0.6
295.08401	0.7
307.08401	0.2
323.07788	10.6
324.08176	0.8
337.09531	0.6
345.13635	0.3
355.10043	0.2
375.14481	0.5
395.09875	2.2
477.23581	0.3
489.14139	22.3
490.14432	3.1
501.14063	1.5
507.18982	0.2
519.15179	14.1
520.15674	1.8
536.65137	0.3
537.16241	31.2
537.33276	0.7
538.16528	4.4
538.23425	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2773
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	1.0
57.03308	1.6
59.01267	26.4
61.98707	2.1
69.57337	7.5
71.01267	14.9
72.99201	1.1
73.02828	3.8
76.46471	0.9
83.01273	3.4
85.02846	6.1
87.00771	4.9
89.02300	2.2
93.55220	0.9
97.02856	1.0
98.20558	1.3
99.00780	1.1
101.02338	5.9
111.00822	1.0
113.02340	1.6
119.03459	1.4
119.05003	1.1
121.02836	2.1
124.01577	1.0
125.02380	2.5
133.02884	3.2
134.03575	1.7
135.04491	5.4
137.02347	2.4
141.12810	1.0
149.02362	2.1
150.03195	1.5
161.02414	9.0
178.02855	1.4
179.03444	3.4
231.60930	1.0
269.21286	4.1
287.22342	31.5
288.22632	2.6
299.22455	1.2
301.23816	1.6
329.23611	1.3
331.15500	2.6
357.13409	1.1
385.30579	1.0
431.26678	13.1
432.26880	1.5
449.27670	33.0
450.27899	4.2
491.28748	100.0
492.29022	14.7
493.20718	4.0
504.17999	1.2
505.19043	1.3
535.21484	11.9
535.30945	1.4
536.21210	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	535.2695
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98717	0.3
78.95794	59.4
96.25030	0.2
96.96865	7.7
100.76199	0.2
117.03349	0.5
129.37321	0.2
133.02850	1.3
135.04419	0.3
143.21936	0.2
145.02879	3.3
150.97968	1.6
152.99525	100.0
153.99860	1.9
161.02383	4.4
162.83859	0.3
171.00603	4.2
198.45003	0.3
277.18219	1.3
279.19525	0.3
295.19226	1.4
305.89325	0.3
389.16159	1.7
449.19507	7.3
450.19901	1.0
476.74164	0.3
517.26068	0.5
535.19653	3.8
535.26868	22.0
536.19934	0.9
536.27179	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2404
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01768	3.9
57.03338	4.5
58.00474	2.3
59.01263	100.0
60.01593	1.4
61.98714	1.9
68.99673	0.5
69.03339	2.1
69.04261	0.4
70.51211	1.2
71.01269	71.8
72.01598	1.0
72.99200	5.0
73.02835	22.5
73.82425	0.4
74.03204	0.6
75.00763	1.1
79.67031	0.4
80.71616	0.5
81.03346	1.0
83.01276	13.3
83.02384	0.4
84.01585	0.5
84.02078	1.1
85.02841	37.4
85.30869	0.4
86.03193	0.8
87.00774	7.0
87.24899	0.4
89.02336	44.8
89.59607	0.4
90.02686	0.5
90.39382	0.5
95.01279	11.1
97.02857	3.1
99.00777	7.0
101.02345	56.6
102.02686	1.3
111.00790	0.6
112.01605	0.6
113.02356	69.6
114.02706	1.9
115.03904	0.9
119.03417	18.5
125.02376	5.8
131.03419	2.7
135.04440	1.1
137.02344	0.8
143.03419	11.7
145.02838	0.7
149.02357	0.8
149.04536	2.3
149.05569	0.6
153.09128	0.9
155.03455	0.6
159.03006	2.8
159.04207	0.5
160.01605	0.7
160.03644	0.8
161.02359	2.1
161.04495	32.0
162.04846	0.6
163.03894	0.5
167.03479	0.5
169.12279	2.5
175.03896	0.9
179.03421	0.9
179.05576	11.1
193.05099	0.5
203.05579	0.7
211.07831	0.6
216.97266	0.4
221.06644	1.4
222.30223	0.5
265.14554	0.5
313.16656	3.6
323.09634	0.5
331.17679	27.8
332.18008	2.8
359.38345	0.5
373.18765	2.0
373.25879	3.0
397.18793	1.1
409.95483	0.5
423.16891	0.6
427.19724	1.2
475.21933	31.6
476.22266	3.9
493.23007	61.3
494.23239	8.0
535.24078	86.2
536.24451	15.2
536.32715	0.7
563.87274	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1832
Annotation	Unknow
Peak:m/z	Relative Intensity
55.23095	0.2
56.81012	0.2
59.01265	4.2
61.98715	0.6
63.64288	0.2
69.03338	0.3
70.96665	0.4
71.01264	2.4
72.99197	0.7
73.02838	1.2
81.03366	0.2
83.01276	0.3
85.02850	0.9
89.02351	2.7
97.02846	0.5
99.00747	0.3
101.02343	2.8
103.03913	2.4
110.06943	0.2
113.02402	0.5
117.03405	0.5
118.49992	0.2
119.03424	1.4
119.04913	0.5
122.96021	0.2
125.02387	1.7
135.04405	0.6
141.07056	1.1
143.03792	0.4
143.04965	5.9
145.02927	1.2
145.04941	0.3
146.03580	0.3
149.05989	1.0
151.03938	0.3
157.06541	1.5
159.08131	2.1
161.02367	0.3
163.06078	2.2
181.06563	0.8
182.07323	0.6
183.08151	2.5
184.08537	0.2
185.06053	11.4
186.06378	0.7
209.06239	0.2
225.05556	0.7
227.07152	100.0
228.07478	9.1
228.58455	0.2
247.08458	0.5
256.78964	0.2
282.61627	0.2
287.05826	0.3
307.10379	2.3
355.11920	0.4
373.12811	0.7
373.26041	0.5
397.09137	0.2
461.16183	0.4
493.22922	0.3
535.18402	6.2
536.18835	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1987
Annotation	Boehmenan H
Peak:m/z	Relative Intensity
51.94027	1.5
59.01263	18.6
61.98707	3.9
71.01274	6.3
71.57585	1.8
73.02811	2.3
78.95801	2.6
83.01237	2.2
85.02844	3.3
89.78690	1.2
93.56135	1.5
101.02304	3.0
108.02071	10.0
109.02869	3.2
119.04911	2.0
121.02835	4.4
122.03613	1.6
123.04445	6.4
125.81078	1.4
132.71754	1.3
133.02907	6.4
134.03679	1.8
135.04422	6.6
136.01598	47.8
137.02409	7.2
138.03130	1.6
139.16194	1.5
145.02866	5.8
147.04407	2.1
148.05199	1.9
149.02356	2.8
149.06010	3.4
150.03152	4.4
151.03949	45.7
152.04254	3.3
159.04474	1.7
160.05228	1.4
161.02396	18.4
161.06020	5.0
162.03125	2.2
163.03940	5.1
164.04707	2.6
165.05521	2.6
172.05235	3.3
173.06013	1.9
175.03918	4.1
176.04744	2.6
177.05449	5.1
178.30711	1.3
179.03429	4.0
182.02347	1.4
187.03944	1.6
189.05513	6.7
190.06276	5.1
191.07098	3.0
193.05077	6.5
217.04840	1.4
225.05556	2.2
237.05484	1.4
239.21281	1.3
253.04994	7.5
265.04980	2.4
266.05984	3.2
267.06796	1.7
269.04550	5.0
279.06592	1.9
281.04544	10.7
281.08200	4.6
284.06955	5.8
293.08093	2.9
295.09570	2.6
296.06915	12.2
296.10110	2.4
297.07578	3.1
298.08301	2.1
299.09259	6.6
310.21445	1.6
311.09360	13.8
321.07880	2.8
324.10080	4.0
335.09259	2.3
336.10034	3.8
338.11612	1.8
339.12433	5.6
349.10986	1.7
355.11749	3.9
356.12784	4.4
369.13635	2.6
399.14651	14.6
415.26938	2.0
427.11771	3.3
457.16928	2.9
459.14346	2.3
460.15250	2.8
469.16870	1.6
472.15463	2.6
475.17953	21.5
476.17929	2.9
487.13864	5.8
487.17584	17.1
488.17929	4.0
490.16486	2.7
493.20816	3.1
502.16458	10.0
503.16571	2.8
505.18774	55.2
506.18958	12.3
517.18768	100.0
518.19159	24.0
534.70728	2.3
535.20569	8.4
535.34570	3.4
536.21790	1.7
554.51752	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	535.1832
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	4.6
61.98713	0.5
69.03351	0.3
69.43472	1.6
71.01267	2.7
72.99190	0.6
73.02812	0.8
81.03343	0.4
81.16879	0.2
81.40620	0.2
83.01290	0.2
85.02829	1.1
89.02334	2.2
93.03352	0.4
97.02834	0.4
98.20569	0.4
98.71561	0.2
101.02348	2.9
103.03919	1.7
107.04921	0.2
109.02830	0.2
113.02332	0.3
117.03358	0.5
119.03430	1.1
119.04935	0.5
125.02365	2.1
127.03912	0.2
131.03433	0.2
133.02870	0.3
135.04472	0.7
137.02351	0.3
141.07018	0.6
143.04964	7.5
144.05289	0.4
145.02896	0.6
145.04924	0.2
146.03674	0.3
149.06036	0.6
151.00313	0.3
154.57849	0.2
157.06522	1.7
159.08110	2.4
160.08356	0.2
161.02388	0.3
163.06058	2.1
165.05510	0.2
167.05067	0.3
179.03477	0.2
179.05687	0.2
181.06554	0.7
182.07350	1.0
183.08112	3.1
184.05275	0.4
185.06049	11.5
186.06355	0.9
191.05583	0.2
205.07140	0.2
212.04900	0.3
225.05560	0.7
227.07146	100.0
228.07472	8.0
247.08295	0.5
287.05679	0.3
307.10425	1.7
355.11902	0.4
373.13025	0.5
373.26166	0.3
397.17950	0.2
461.16425	0.4
493.22989	0.4
535.18390	6.3
535.30853	0.3
536.18585	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2255
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01766	2.1
57.03320	2.2
58.00488	1.6
59.01266	100.0
60.01589	1.4
61.98724	5.5
62.20221	0.9
64.66188	1.2
69.03357	1.3
69.42729	4.1
69.43157	4.4
71.01273	40.6
72.01583	1.3
72.99194	3.4
73.02835	22.7
80.81949	1.0
83.01292	5.6
85.02841	18.8
87.00761	3.3
88.06984	1.0
89.02338	14.9
95.01291	4.1
96.95871	1.0
97.02872	1.3
99.00780	11.1
101.02350	28.3
102.02641	1.2
113.02358	18.8
119.03428	4.2
119.04911	1.1
120.05299	1.0
123.04442	1.6
125.02360	4.3
129.01884	1.8
131.03464	2.2
133.02881	6.3
135.04430	6.5
137.90472	1.0
138.01888	1.7
139.03120	1.0
143.03441	3.3
145.02936	2.3
146.03644	9.3
149.06082	1.6
150.03128	1.3
151.00366	1.0
151.03972	3.0
154.98061	1.5
159.02939	3.1
161.02414	15.6
161.04495	14.5
161.06020	7.6
167.03465	1.6
168.27260	1.0
175.16156	1.1
176.01083	2.3
178.89928	1.0
179.03447	2.5
179.05571	1.3
191.05605	2.7
209.04489	2.3
209.08971	0.9
211.13332	3.7
211.15160	1.2
216.98384	1.0
260.85382	1.0
297.17224	1.3
306.85400	1.0
315.18140	10.9
357.09933	2.1
357.19159	1.6
371.11252	3.6
371.24643	2.0
375.42535	1.0
392.12445	1.4
429.21234	2.1
436.81790	1.4
445.79660	1.1
447.22299	25.0
448.22693	3.7
473.27509	1.4
489.23380	89.6
490.23724	12.3
533.18945	6.6
533.30243	5.9
533.69727	2.0
534.20294	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	535.1845
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	0.8
58.00475	0.6
59.01261	8.1
61.98683	0.7
64.75078	0.6
70.98170	1.2
70.98502	0.5
71.01273	7.4
72.99187	0.7
73.02837	1.0
85.02843	2.9
87.00769	0.7
89.02346	5.1
93.03338	0.7
95.01279	1.0
101.02334	4.0
108.02087	3.8
109.02871	6.2
113.02343	2.4
119.03397	2.1
119.05016	0.5
120.03844	0.5
121.02889	4.0
122.03629	2.1
123.00768	1.5
123.04465	4.8
124.01561	1.3
125.02309	1.2
129.03392	1.2
131.04947	0.5
133.02892	0.9
134.03659	1.3
135.04437	2.1
136.05176	1.4
137.02351	2.1
137.06021	0.7
138.03099	1.2
139.16618	0.5
143.04976	0.6
145.02875	1.2
146.03708	3.1
147.04459	49.8
148.05217	3.6
149.02382	2.9
149.06035	1.4
150.03142	9.2
151.03934	0.9
158.03687	6.4
159.03171	0.8
159.04466	17.6
160.05257	30.7
161.02451	3.2
161.04555	0.9
161.06020	10.5
162.02985	0.6
162.06786	1.5
163.02696	0.8
163.03955	8.4
164.04739	20.8
165.05165	1.2
168.04214	1.0
173.06029	5.6
175.04134	1.0
175.07610	29.2
176.04713	0.9
176.07947	1.9
177.05531	8.7
178.06355	5.6
179.03462	1.1
193.05025	2.8
193.08630	2.6
225.05623	0.5
233.44203	0.5
239.07104	0.9
240.07790	0.8
251.07085	0.9
252.05588	0.7
252.07881	3.7
253.08609	0.7
265.08807	0.6
266.09387	0.6
267.06647	3.5
268.07452	22.1
269.07788	2.6
282.09052	1.9
283.09814	31.5
284.10324	3.9
297.11337	4.4
298.12183	7.8
299.12918	6.2
314.11847	1.3
329.14011	100.0
330.10965	0.6
330.14386	10.8
349.36240	0.6
356.56271	0.5
373.13004	31.1
374.13226	3.5
401.51837	0.5
461.16858	1.7
493.23233	0.7
535.18365	58.2
536.18781	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	533.2247
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	4.2
57.03334	4.0
58.00489	1.4
59.01264	92.1
60.89197	0.7
61.98728	1.2
69.03374	1.5
71.01270	68.3
71.23847	0.8
71.31013	1.1
71.31352	1.1
72.99226	2.8
73.02837	33.1
75.00758	4.2
75.48193	0.7
81.03386	1.0
83.01280	8.5
84.50739	0.7
85.02842	39.4
87.00771	6.4
89.02339	21.7
95.01290	5.2
97.02857	4.6
99.00780	13.4
99.01334	0.9
101.02347	41.7
113.02353	28.2
113.03146	0.7
114.02737	1.1
115.03959	1.0
119.03423	4.9
124.01580	30.6
124.58990	0.7
125.02396	7.5
129.01921	1.7
131.03429	6.6
133.02887	14.1
133.03828	1.2
135.04457	3.7
143.03419	7.2
145.02939	1.7
149.04445	1.5
159.02954	5.9
161.02400	46.5
161.04466	26.7
162.02789	2.1
178.04988	0.7
179.03479	1.9
205.07115	1.9
225.05621	1.1
261.15024	1.7
270.15717	0.9
279.16025	2.4
297.17078	6.0
315.18213	21.4
316.18576	1.8
357.19202	3.3
429.21393	35.7
430.21765	5.9
447.22433	100.0
448.22757	14.1
489.23517	38.9
489.28842	0.9
490.23721	6.8
533.23981	30.2
534.24023	6.3
553.68951	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1522
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01777	1.0
57.03339	0.8
59.01264	35.6
69.03361	1.6
71.01265	23.4
71.59537	0.7
71.59921	0.7
72.99197	3.4
73.02839	15.5
75.20786	0.7
83.01260	4.4
85.02843	6.3
87.00769	11.4
88.00311	0.8
88.39567	0.7
89.02330	18.9
95.01277	1.9
96.95901	1.0
97.02846	5.1
99.00777	16.4
99.04427	0.7
101.02342	29.8
102.02668	0.7
110.53395	0.7
113.02358	9.5
115.03879	0.9
119.03403	5.0
123.04432	7.3
125.02374	3.7
131.03406	3.1
135.04443	41.4
136.04774	2.1
143.03452	3.7
149.04475	3.0
153.05515	9.3
161.02351	2.0
161.04517	3.1
177.05659	0.8
179.03606	1.1
179.05493	1.1
185.89844	0.8
191.05618	5.5
194.05757	0.9
205.07127	1.8
233.06654	2.7
250.66258	0.7
261.07800	1.3
297.09869	3.9
315.10931	14.2
316.11514	1.2
357.11914	2.2
377.10745	1.1
429.14087	18.2
430.14551	2.2
443.82458	0.8
445.17117	1.8
447.15164	51.3
448.15421	6.4
489.16238	100.0
490.16541	11.7
496.30426	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1735
Annotation	Unknow
Peak:m/z	Relative Intensity
57.00491	0.2
59.01258	0.7
66.30212	0.2
67.01772	0.2
69.03335	0.2
69.97666	0.2
71.01258	0.7
71.54524	0.2
71.54842	0.3
73.02828	0.2
83.04976	0.2
85.02844	6.2
87.00761	1.5
93.03353	1.8
99.00775	0.2
109.02853	0.4
111.04443	0.8
113.02290	0.2
122.56123	0.2
127.03935	1.7
151.62305	0.2
155.03453	0.2
171.02969	0.5
173.04500	1.2
191.05583	100.0
192.05923	4.8
274.60864	0.2
329.38242	0.2
412.13864	0.2
486.26144	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.1467
Annotation	Unknow
Peak:m/z	Relative Intensity
56.95232	0.3
59.01261	1.7
61.98715	100.0
71.01272	0.3
71.56936	0.5
73.57848	0.3
74.73607	0.3
88.92266	0.3
89.02363	0.3
102.48563	0.3
115.78564	0.2
117.03355	0.5
119.04971	0.9
128.28886	0.3
135.04477	0.4
145.02870	2.5
161.02406	0.7
163.03963	1.1
197.71219	0.3
217.00372	0.3
309.20996	0.4
310.21204	0.4
398.70602	0.3
409.12985	1.6
460.62085	0.4
469.15237	3.2
470.15710	0.5
532.69861	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.2097
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86518	1.2
55.01755	2.4
57.03326	3.4
58.00486	2.2
59.01266	100.0
60.01577	1.6
64.21918	1.2
64.67405	1.0
69.03354	1.8
70.51060	3.0
70.51449	2.0
71.01270	54.3
72.01631	1.3
72.99203	3.0
73.02837	25.3
75.00754	1.9
79.02940	1.2
83.01286	5.8
85.02843	27.2
87.00781	10.4
87.04440	1.3
89.02338	35.1
95.01283	3.3
97.02855	5.1
99.00761	8.8
101.02346	38.9
102.02687	1.2
113.01617	2.2
113.02361	25.0
115.03934	1.4
115.42762	1.2
117.83633	1.1
119.03423	9.1
121.57281	1.2
124.01588	26.8
125.02353	4.5
126.14870	1.3
131.03429	5.1
135.04483	1.4
143.03426	9.0
149.04482	4.6
159.02928	3.9
161.02403	2.1
161.04514	15.1
179.03444	1.2
192.81207	1.1
205.07187	3.4
233.06709	1.7
295.15530	2.9
313.16602	20.4
314.16925	3.0
355.17664	4.1
399.23978	1.7
409.18649	1.3
427.14383	1.8
427.19849	23.7
428.19864	3.0
438.05295	1.4
445.20889	85.2
446.21231	9.3
487.21826	21.8
488.22198	2.8
531.20483	2.1
531.27911	11.5
532.28217	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	529.3032
Annotation	Kukoamine A
Peak:m/z	Relative Intensity
55.01764	0.6
55.31745	0.5
57.03339	2.8
58.00489	0.7
59.01266	13.0
67.01765	0.8
71.01275	18.1
72.99202	6.2
73.02840	0.8
75.00762	16.6
78.95802	1.3
83.01261	0.8
85.02846	23.6
86.03204	0.5
87.00771	6.3
87.47083	0.6
89.02345	4.6
95.01276	4.9
99.00782	10.3
101.02353	0.8
103.00278	2.4
111.00770	0.6
112.01549	0.9
113.02360	29.9
115.00278	1.5
117.01861	2.3
129.01854	2.0
131.03487	0.9
152.84340	0.5
152.99515	2.2
157.01266	0.7
175.02481	3.3
189.00185	0.6
205.07164	1.8
207.04951	0.5
223.08235	1.4
225.11711	0.6
229.52211	0.6
231.05153	0.7
249.06186	7.3
255.23410	0.6
267.07242	6.4
279.23358	59.9
280.23639	6.5
469.27850	0.6
511.29169	2.5
529.30298	100.0
530.30615	19.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.2095
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	1.7
58.00476	2.7
59.01265	100.0
60.01588	1.4
61.98709	3.2
69.03339	5.4
71.01273	50.2
71.66766	0.7
72.99191	6.1
73.02446	1.3
73.02840	21.6
81.03340	3.5
83.01292	4.9
85.02842	17.5
87.00766	4.2
87.04411	1.9
89.02345	29.9
95.01323	1.3
97.02843	9.7
99.00784	2.9
99.04403	1.2
101.02350	37.0
103.03918	29.6
107.01289	0.9
113.02363	3.4
115.03918	1.4
118.65551	0.8
119.03416	15.2
119.04918	6.4
125.02372	37.1
126.02715	1.2
127.03973	4.0
131.03455	1.6
135.04442	1.1
143.03464	4.8
145.05038	5.2
148.05244	40.3
149.02359	1.0
149.05740	1.7
161.02412	1.9
161.04457	1.2
163.04037	7.2
163.06058	33.0
163.07578	13.4
164.07988	1.1
190.02600	1.2
205.05067	2.1
205.07118	2.8
247.08284	10.7
269.95789	0.8
289.09421	0.9
296.64636	0.9
307.10440	34.3
308.10696	2.1
367.10242	2.0
404.71808	0.9
468.19879	1.1
531.28241	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.2096
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56849	1.1
55.01769	2.0
57.03355	2.4
58.00476	3.4
59.01266	100.0
60.01589	1.3
61.98712	2.2
62.06744	1.4
67.26613	1.4
69.03356	1.6
69.65599	9.1
71.01272	52.1
72.01632	1.5
72.78388	1.2
72.99204	3.7
73.02838	18.1
75.00787	3.7
80.91614	1.6
83.01286	4.7
84.37590	1.1
85.02844	28.1
87.00766	11.1
87.66048	1.3
89.02341	52.9
90.00842	1.2
90.02647	1.8
93.97395	1.1
95.01300	4.6
97.02866	3.5
99.00773	10.1
101.02346	43.3
111.70285	1.0
113.02361	23.1
115.03908	1.5
116.69682	1.3
119.03436	15.6
120.83562	1.3
124.00682	1.5
124.01582	27.6
125.02345	4.3
131.03410	7.2
135.04425	2.2
143.03427	7.7
149.04494	4.7
149.09760	2.0
159.02962	1.2
161.02380	4.0
161.04506	8.6
163.04008	1.4
179.05551	3.3
191.05560	1.7
245.48283	1.3
264.00470	1.4
277.14691	2.3
277.17798	1.8
287.16281	1.4
287.22263	4.1
295.15726	3.2
305.17575	2.4
307.19128	6.2
308.46710	1.3
309.20663	6.5
311.09537	1.7
313.16556	9.0
335.16440	1.3
353.19824	1.6
355.17657	3.4
392.11865	1.3
399.24203	2.8
427.19806	23.7
428.20401	2.4
445.20877	79.9
446.21326	7.4
449.27634	13.6
450.28391	1.3
471.25714	19.9
472.26007	1.4
487.22015	18.2
488.22128	2.5
515.24731	1.6
531.28192	17.4
532.20837	1.3
532.28387	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.3028
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64730	0.7
59.01265	100.0
60.01603	1.0
60.81316	0.6
61.78666	0.6
62.19573	0.5
145.02913	1.3
157.09956	0.5
183.80455	0.7
188.20895	0.5
243.69144	0.6
299.16525	4.5
311.80713	0.7
325.10406	0.5
336.81204	0.5
528.75787	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.2673
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01772	0.6
57.03336	1.1
59.01266	37.9
61.42555	0.6
61.98719	100.0
67.11011	0.5
71.01268	10.3
72.99207	1.0
73.02833	4.7
75.00789	0.6
78.95804	0.9
83.01270	1.6
85.02847	5.8
87.00801	0.6
89.02332	2.9
95.01266	0.7
96.95939	1.0
98.19826	1.4
99.00793	2.1
100.01537	0.5
101.02344	11.0
101.02993	0.9
103.03860	0.7
111.00822	0.7
113.02383	4.7
125.02334	1.0
130.95479	0.6
133.02881	1.5
133.06560	0.8
135.04454	1.6
143.03397	0.8
145.02908	1.4
149.06024	1.4
149.62094	0.6
159.02898	0.7
161.02374	5.1
161.04507	1.5
164.04826	0.7
166.89626	0.5
179.03496	1.0
191.05585	0.7
227.14612	0.5
238.86145	0.7
242.05530	0.6
293.08859	0.7
405.25128	0.9
447.26004	2.3
465.27136	90.8
466.27518	13.3
512.39130	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.1575
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01741	0.3
59.01267	8.3
61.75765	0.4
61.98705	0.4
69.03354	0.5
71.01265	3.7
71.17797	0.8
71.18117	0.5
72.95798	0.4
73.02841	3.6
75.00732	0.5
76.37544	0.3
78.65195	0.4
83.01274	0.7
85.02825	2.1
87.00788	1.0
89.02339	1.8
89.15368	0.4
97.02843	1.5
99.00787	3.5
99.04407	0.6
101.02338	3.1
108.02058	0.8
109.02842	0.6
111.00867	0.4
111.04440	0.4
113.02327	1.3
115.03934	2.0
122.03669	0.5
125.02373	2.4
131.03438	1.1
133.06522	0.8
143.03415	2.6
147.04495	1.9
148.05257	2.0
149.06020	100.0
150.06358	5.0
161.02400	1.4
161.04433	0.7
173.04520	0.5
179.03508	0.6
191.05605	1.8
205.07137	1.1
206.59204	0.4
215.05600	0.8
233.06651	5.8
257.06689	1.1
275.07541	1.9
293.08710	3.8
335.09930	6.3
353.12558	0.8
357.19031	0.4
402.71060	0.4
413.40118	0.5
425.14612	4.7
426.14917	0.5
443.15704	9.9
444.15887	0.7
485.16852	5.1
486.17194	0.7
493.21552	0.5
529.26697	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	529.1943
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14799	2.8
57.03327	3.9
59.01266	100.0
61.98714	11.1
66.40991	2.9
69.03349	9.8
71.01274	67.5
71.04867	7.1
71.05219	4.2
73.02837	35.3
75.00761	5.5
81.03316	3.3
83.01297	7.5
85.02847	39.0
87.00768	4.8
89.02336	23.5
95.01279	6.2
96.95927	3.3
97.02840	4.6
99.00790	17.1
99.04369	2.7
101.02354	33.6
113.02356	33.9
117.25162	2.9
119.03419	6.8
120.60981	2.6
121.02807	5.1
124.01577	26.1
125.02359	12.8
131.03401	8.5
133.02859	8.8
134.03627	4.1
135.04388	8.9
136.07425	2.7
137.02357	5.5
143.03458	7.2
145.02856	6.5
149.09668	7.6
159.02965	4.4
160.01605	4.1
161.02420	25.8
161.04489	24.3
162.02774	5.3
174.37299	3.3
175.03917	6.1
179.03433	5.1
179.06998	3.4
191.05609	4.9
205.05194	2.9
221.08205	33.6
233.06732	4.2
246.25452	2.9
293.14008	3.6
311.15112	12.8
312.15408	3.4
343.65024	3.1
353.16211	3.4
397.22272	5.5
425.18243	30.9
426.18564	5.1
443.19312	95.7
444.19785	8.8
485.20526	20.5
486.20779	3.8
493.21094	5.8
528.67877	4.3
529.17853	3.9
529.26440	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	529.303
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03338	0.4
58.71705	0.2
59.01267	6.2
61.55904	0.2
61.98720	0.3
70.62962	0.2
70.80817	0.7
71.01272	4.6
72.99192	0.2
73.02834	0.8
74.11047	0.2
78.95792	0.4
83.01277	0.7
83.60934	0.2
85.02843	1.0
87.00773	0.7
89.02336	5.1
95.01292	0.2
100.33459	0.2
101.02338	5.4
111.08083	0.2
113.02370	2.8
113.09663	0.4
119.03386	1.3
119.04950	0.2
123.48691	0.2
131.03400	0.3
135.04425	0.3
143.03441	0.5
145.02904	0.3
152.99532	0.9
161.04504	2.7
179.05539	1.1
179.14421	0.7
195.13892	8.3
196.14450	0.8
205.12340	0.6
205.15968	0.3
211.13475	0.6
223.13405	5.2
224.13783	0.5
228.13654	0.9
231.21217	0.6
235.08116	0.3
253.09323	31.8
254.09715	1.9
256.13168	1.1
275.20221	6.0
275.23206	0.3
276.20621	0.4
293.21292	100.0
294.21619	10.7
492.22141	0.7
493.18408	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.1938
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11383	0.2
61.98718	100.0
69.42582	1.3
73.41476	0.1
94.10896	0.1
98.20713	0.1
108.07745	0.1
117.03365	0.2
121.02873	0.2
145.02901	0.4
161.02432	0.2
161.21156	0.2
165.20978	0.1
260.80920	0.1
295.14093	0.1
461.19736	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.1941
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76947	0.2
56.25585	0.2
61.98719	100.0
70.90558	0.6
97.07938	0.2
98.22875	0.2
117.03423	0.5
145.02870	1.7
148.86536	0.2
153.46855	0.2
190.37505	0.2
224.78448	0.2
258.61157	0.2
279.43378	0.2
279.55927	0.2
437.00607	0.2
461.19803	4.2
462.20395	0.8
495.01929	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.1937
Annotation	Unknow
Peak:m/z	Relative Intensity
58.09772	0.3
59.01263	0.7
61.98716	100.0
62.98431	0.2
71.57764	0.3
78.95787	0.6
88.98701	0.5
117.03394	0.2
121.02904	0.3
141.23491	0.2
145.02939	0.2
152.99509	1.0
159.30812	0.2
163.03908	0.3
197.02151	0.3
198.23747	0.2
289.07208	0.2
325.21756	0.6
326.22134	0.3
461.19766	0.7
479.35724	0.4
480.35873	0.5
525.28229	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.1941
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	0.2
61.98719	100.0
62.98426	0.2
69.43728	1.4
78.11484	0.1
79.30803	0.2
100.61181	0.1
117.03374	0.1
119.04953	0.4
145.02899	0.7
153.18385	0.1
163.03912	1.0
259.00647	0.1
315.16296	0.3
389.90976	0.2
461.19696	2.2
462.20300	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2873
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01769	1.1
57.03336	2.6
57.40258	0.4
58.00484	0.5
59.01265	13.3
67.01772	0.7
68.99698	0.9
69.03335	0.7
69.34200	3.4
71.01271	18.4
72.99194	4.9
73.02834	1.4
75.00763	16.0
75.68736	0.4
83.01285	1.2
83.04906	0.5
85.02843	21.1
86.03201	0.5
87.00768	6.8
89.02338	4.8
95.01289	5.3
98.20506	0.7
99.00782	9.0
101.02325	0.8
103.00289	3.0
109.02901	0.4
111.00805	0.5
113.02360	29.8
114.02667	0.8
115.00272	1.6
117.01874	2.5
127.74665	0.4
129.01849	1.4
131.03458	0.6
134.59050	0.5
137.72247	0.4
139.00328	0.6
152.99556	1.4
157.01347	1.1
175.02437	3.4
177.41879	0.5
193.03487	0.9
205.07185	2.3
223.08287	0.9
249.06175	5.6
250.06468	0.5
267.07288	7.1
277.21780	50.9
278.22162	4.9
341.80905	0.4
362.81442	0.5
370.69736	0.4
422.61417	0.5
467.26953	0.7
509.27771	3.0
527.28723	100.0
528.28986	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	524.1632
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97476	0.4
59.01263	1.8
61.98716	100.0
71.01283	1.1
71.29781	0.8
77.39066	0.3
85.02869	0.4
89.02338	0.8
101.02354	0.8
113.02399	0.4
115.89742	0.4
119.03413	1.0
135.04430	2.6
155.43239	0.3
164.98885	0.3
174.23022	0.3
188.40442	0.3
261.58633	0.3
315.10870	1.7
316.75168	0.4
461.16736	17.6
462.17151	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	524.1632
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53024	0.3
52.20626	0.3
59.01256	1.2
61.98716	100.0
65.00174	0.3
68.08061	0.3
71.01284	1.0
71.59627	0.3
71.59974	0.3
73.02828	0.4
75.00686	0.4
80.46107	0.3
85.02849	0.4
87.00760	0.5
89.02329	0.7
98.20571	0.3
101.02361	0.9
108.24623	0.3
113.02390	0.5
128.63405	0.3
131.03430	0.7
135.04465	1.4
143.03435	0.6
166.95088	0.3
191.05545	0.4
205.07291	0.5
315.11081	0.8
410.75388	0.3
461.16727	10.1
462.17328	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3514
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62065	0.2
51.39842	0.2
55.01770	2.6
57.03088	0.3
57.03340	3.9
58.00477	1.1
59.01266	18.2
60.01601	0.5
61.81236	0.2
61.98717	0.5
65.08534	0.2
69.03340	0.8
70.03436	1.2
71.01271	24.4
72.01598	0.5
72.99196	1.3
73.01713	0.2
73.02837	9.3
74.24538	0.2
75.00756	0.4
83.01279	5.6
85.02847	13.8
85.06483	0.8
85.46088	0.2
85.99989	0.7
86.03183	0.5
87.00766	1.4
89.02335	5.7
90.02679	0.5
91.02810	0.3
95.01275	2.4
97.02834	0.5
99.00778	3.6
99.32453	0.2
101.02346	20.1
102.02664	0.5
111.00794	3.3
113.02361	7.9
114.02709	0.3
119.03407	2.1
121.02863	1.7
121.03739	0.4
125.02364	0.5
129.01840	0.8
131.03403	0.4
133.02879	0.5
135.04410	0.6
141.01866	0.4
143.03452	0.7
143.10747	1.3
149.04332	0.2
151.24467	0.2
155.10741	0.2
159.02936	1.9
160.01578	0.7
161.02373	0.9
161.04521	3.1
166.04959	0.5
166.06308	5.1
167.06721	0.3
171.13860	0.4
175.03996	0.8
179.03290	0.3
179.05582	1.0
179.07037	0.3
181.08653	3.6
211.17029	0.2
229.18118	1.7
231.57028	0.2
242.73657	0.3
283.09778	0.3
284.10077	0.3
285.10229	0.4
311.09378	0.7
312.09622	0.8
313.09949	0.8
315.25504	1.5
322.29926	0.2
327.11963	0.5
328.12259	0.6
331.11752	0.2
341.13986	0.5
342.14310	0.5
343.11099	0.4
343.14987	1.4
343.28848	0.3
360.09238	0.4
361.09824	0.4
361.29694	10.3
362.30176	1.3
401.80438	0.3
423.98465	0.2
457.78021	0.2
463.21805	0.5
496.53995	0.3
523.34985	100.0
524.13568	0.4
524.22144	0.6
524.35327	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	523.3135
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03338	0.6
59.01265	100.0
60.01613	0.7
61.98713	1.3
65.56354	0.4
67.34083	0.5
71.01277	6.1
71.58191	0.8
72.01608	0.5
73.02843	1.3
78.95812	0.9
83.01287	0.9
85.02866	1.9
87.00758	0.6
99.00775	0.8
101.02351	2.6
112.47018	0.5
113.02381	1.5
116.07085	0.5
125.02397	0.8
133.02878	0.5
135.04469	0.8
145.02873	0.9
161.02444	2.0
161.04469	0.6
191.05690	1.0
192.50610	0.5
250.18938	0.9
275.16464	0.5
276.16931	0.6
287.22247	3.1
293.17892	1.0
294.18079	2.0
295.18616	0.6
325.20334	1.3
326.20581	3.7
327.20663	0.7
431.26596	26.2
432.26889	3.9
468.36435	0.5
521.65833	0.6
523.24072	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3136
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23928	0.1
52.56107	0.1
55.01768	1.2
56.08791	0.2
57.03336	1.3
58.00480	0.8
59.01266	8.8
61.98718	0.8
63.96133	0.1
66.51836	0.1
68.99712	0.2
69.03335	1.2
69.31155	0.1
71.01270	18.1
72.01584	0.3
72.99204	1.5
73.02834	3.0
75.00754	0.5
79.95638	0.3
80.96407	1.4
81.03317	0.2
81.23795	0.1
83.01279	2.7
84.01609	0.2
85.02843	6.8
86.00001	0.8
87.00767	2.3
88.08262	0.1
89.02343	1.7
90.54998	0.1
91.03909	0.5
94.97989	0.4
95.01282	1.4
97.02872	1.0
99.00780	1.3
99.08067	0.7
101.02345	7.3
111.00784	0.9
111.25462	0.2
112.01581	1.3
113.02356	4.0
113.09665	0.2
114.02625	0.2
114.83893	0.1
115.03941	0.2
119.03432	0.6
122.97479	0.2
124.01584	1.2
125.02381	1.8
129.01857	0.3
129.09132	0.4
132.42758	0.1
135.04399	0.2
141.12802	1.1
141.66103	0.1
142.02612	0.3
143.03439	0.6
148.99156	0.2
152.98486	0.2
155.14320	0.4
160.01682	0.2
161.02435	0.3
161.04485	0.5
164.98573	0.3
169.41640	0.1
175.04028	0.2
193.05029	0.2
221.07957	0.2
225.00716	0.6
229.65007	0.2
241.21779	0.5
251.20219	0.2
267.19727	0.2
269.21280	5.0
270.21671	0.5
271.22910	0.3
283.22769	0.2
285.20731	0.8
287.22342	39.9
288.22681	4.1
299.22330	1.0
301.24023	0.9
311.22220	0.2
329.23364	1.0
341.23337	0.3
343.25156	0.3
392.12381	0.3
401.25861	0.2
413.25827	0.2
431.26581	65.7
432.26907	10.1
444.53308	0.2
449.27637	100.0
450.28003	15.5
523.18439	2.7
523.34930	1.0
524.19244	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2194
Annotation	Mascaroside
Peak:m/z	Relative Intensity
55.01766	2.0
57.03333	1.2
58.00482	1.2
59.01266	21.0
60.26177	0.3
61.98711	0.3
66.23816	0.3
69.03333	0.3
71.01271	17.2
72.01608	0.3
72.99200	1.7
73.02829	3.5
75.58651	0.2
83.01288	3.3
85.02847	6.3
85.99992	0.6
87.00771	1.6
89.02341	7.8
92.05650	0.3
93.03359	1.0
95.01280	1.5
96.95922	1.2
97.02828	0.3
99.00758	1.7
101.02348	10.9
102.02679	0.3
107.75025	0.3
108.02112	0.6
109.02859	3.8
111.00789	0.8
111.04427	0.4
113.02366	4.9
113.70951	0.3
117.92714	0.3
119.03435	3.0
119.04934	0.5
121.02870	12.1
122.03670	10.2
123.04510	1.7
124.01590	1.2
125.02359	0.5
126.64178	0.3
129.03387	0.6
133.02841	0.7
134.03593	0.3
135.04475	2.5
136.01598	0.3
136.05226	1.2
137.02379	2.3
143.03386	0.4
145.06483	0.4
146.03737	0.5
147.04457	6.5
148.05185	1.0
149.04543	0.3
149.06029	1.1
150.03194	0.7
151.03935	0.3
153.01859	0.3
154.02618	1.5
159.03020	0.4
159.04405	0.4
160.05223	0.3
161.02455	1.6
161.04532	0.9
161.06024	2.5
162.02774	0.7
162.06798	0.7
163.03983	0.6
164.04617	0.3
165.05525	20.8
166.05896	1.0
173.06015	0.6
174.06787	0.7
175.07623	1.0
176.08330	0.5
177.05463	0.5
178.06267	0.6
179.05627	0.5
179.07080	6.4
190.06441	0.3
191.07130	1.7
192.07991	0.3
209.08179	0.6
223.09764	0.9
279.00543	0.3
285.11322	0.3
298.12137	1.1
299.13000	0.7
313.11356	0.4
313.14487	1.9
315.12482	2.0
316.13068	0.8
328.12985	1.7
329.13730	0.8
331.15585	0.4
343.11865	0.6
343.15543	4.4
344.16068	0.4
346.14310	8.1
347.14954	3.1
361.16641	75.0
362.16953	9.5
508.19421	0.5
523.21948	100.0
524.22321	17.8
532.63867	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.22
Annotation	(-)-Isolariciresinol 4-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
52.53878	0.3
57.03321	0.2
59.01270	1.2
61.42653	0.2
61.98713	0.4
71.01273	1.5
71.44242	0.4
73.02841	0.5
73.24964	0.3
85.02851	0.6
89.02326	0.7
90.08973	0.3
93.03362	0.9
101.02351	1.0
101.94736	0.2
108.02058	0.4
109.02875	4.3
110.03228	0.3
113.02349	0.4
114.59783	0.2
119.04926	0.4
121.02869	10.3
122.03662	10.1
123.04460	1.4
124.01579	0.8
129.03392	0.6
133.02872	0.3
134.03687	0.4
135.04410	1.9
136.01654	0.3
136.05205	1.1
137.02388	1.7
146.03651	0.3
147.04453	5.3
148.05159	0.4
149.06007	0.8
150.03125	0.4
154.02670	1.1
160.05341	0.3
161.02371	0.9
161.04498	0.8
161.06009	1.9
162.06813	0.3
163.03944	0.4
164.04680	0.3
165.05531	18.5
166.05858	1.1
178.06351	0.6
179.07103	6.2
189.05650	0.2
189.33069	0.3
191.07071	0.6
193.08609	0.2
209.08191	0.8
223.09744	1.2
230.81598	0.2
298.12128	0.4
301.10889	0.4
313.14581	0.8
315.12445	1.9
316.13101	0.5
346.14307	6.9
347.14642	0.8
361.16653	100.0
362.17001	11.8
377.10632	0.6
450.73428	0.4
463.21811	1.4
464.21799	0.3
523.28473	0.3
524.17487	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2409
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00475	2.6
59.01266	100.0
60.01643	1.1
61.98716	17.9
65.94587	1.1
71.01270	58.1
72.71362	1.0
72.99195	3.2
73.02831	3.6
85.02861	9.0
87.00772	2.2
89.02341	62.3
90.02650	1.6
101.02356	11.8
111.00797	1.5
113.02357	12.0
113.59700	1.0
119.03455	5.6
119.04947	2.0
125.02379	2.3
131.03432	14.1
133.02878	1.6
135.04420	2.5
148.03983	4.0
149.04492	19.8
151.56447	1.1
160.35748	1.3
161.02354	4.5
161.04500	4.7
166.89874	1.3
179.05545	4.8
192.03000	2.7
273.12488	1.2
331.17734	3.8
343.09311	1.9
354.08405	1.9
361.10461	1.9
361.16614	1.8
377.10526	2.9
403.53186	1.2
463.21982	63.6
464.22238	12.0
481.22916	2.4
523.21674	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	522.1478
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53162	0.9
51.06189	0.8
53.14074	1.0
57.03316	1.0
59.00990	1.6
59.01267	19.1
60.40632	0.8
61.98714	6.0
65.99717	2.2
67.01770	1.1
69.03339	1.9
71.01270	11.3
71.57667	1.6
72.99190	3.9
73.02836	7.8
75.00757	3.6
75.65874	1.0
76.11253	1.0
83.01280	2.0
85.02833	8.2
87.00774	8.7
87.04404	1.3
89.02351	6.6
94.02881	1.1
95.01289	4.3
96.95920	1.1
97.02848	2.2
99.00788	5.8
101.02353	10.1
103.03923	2.1
109.31122	1.0
111.00781	2.6
113.02354	5.0
115.03943	2.5
119.03429	2.7
119.08853	1.1
121.02869	4.9
122.02386	2.9
123.00806	10.6
125.02355	2.0
131.03445	4.7
135.04453	8.0
137.02422	1.6
138.01819	1.0
138.03134	5.5
141.01868	1.2
143.03426	3.6
149.02383	16.0
149.04419	1.0
150.01907	2.0
150.03133	6.2
152.03464	5.9
161.02379	4.2
163.03957	1.5
163.06047	4.3
166.01363	4.6
166.02669	10.5
178.01419	6.9
179.03448	4.5
180.03001	3.0
196.02501	29.8
197.02831	1.9
198.04041	15.7
205.07088	5.2
214.03499	1.0
273.54355	0.9
305.09009	1.1
328.15457	1.0
331.17499	1.3
341.11050	5.8
360.09647	4.8
457.13718	1.2
459.15268	10.1
460.15152	1.3
463.22198	1.6
475.14688	1.7
478.16309	1.1
504.13394	4.7
522.14752	100.0
523.14954	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	522.2486
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00996	0.8
59.01267	11.3
61.98711	1.3
64.21840	0.7
69.09486	0.6
69.65848	2.3
69.66279	2.5
71.01288	2.9
73.02846	1.7
78.95803	10.9
85.02835	1.0
89.02354	1.0
97.06511	0.7
99.08134	0.7
101.02322	1.8
113.02396	0.7
121.02891	1.7
122.03659	3.8
135.04440	1.4
136.05229	1.6
140.01112	4.0
152.99541	1.7
154.05962	0.6
161.02382	1.4
161.04524	0.8
164.08331	1.3
165.12810	1.3
167.14346	5.3
168.04164	1.1
179.03362	0.8
193.15918	3.1
196.03822	1.9
207.17589	3.5
214.04855	5.0
231.17619	1.5
233.15453	0.9
247.17249	0.7
249.18625	32.8
250.18977	3.4
265.18298	0.7
275.16614	20.7
276.14148	0.7
276.17038	1.5
281.21252	5.4
293.17664	68.6
294.18018	7.3
300.02823	0.7
307.19159	2.5
325.20261	100.0
326.20590	10.6
431.26636	0.6
462.31537	1.0
522.24860	35.9
522.33063	2.2
523.25134	3.3
523.30377	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.1265
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53394	0.7
55.01778	0.9
57.03340	1.6
59.00993	1.2
59.01265	16.0
60.01558	0.7
61.98717	1.2
64.01801	2.0
65.99735	2.3
71.01269	19.9
72.01626	0.8
72.99198	1.4
73.02841	5.6
83.01284	4.4
84.03218	0.6
85.02841	9.3
87.00771	2.3
89.02335	7.0
93.03365	0.9
93.07008	0.8
95.01297	2.2
97.06458	0.8
99.00793	1.9
101.02346	13.0
105.03431	0.7
106.02931	0.6
109.02872	2.3
111.00801	1.5
113.02353	7.5
117.03397	1.3
119.03395	2.5
121.01707	0.7
121.02860	1.7
122.02420	1.4
122.03639	2.2
123.04445	1.9
125.02319	1.1
131.03444	0.8
132.02129	1.6
133.01854	1.5
133.02881	28.1
134.02394	2.6
134.03691	4.2
135.04453	43.3
136.04784	2.4
137.02368	3.0
138.03151	0.7
139.03967	1.4
145.02902	0.9
147.03224	0.7
147.04388	1.3
148.05235	0.7
149.02388	1.7
149.06047	5.9
150.01935	2.2
150.03157	26.9
151.03818	2.3
152.03467	0.8
154.02701	0.9
156.93411	0.8
160.01630	1.3
161.02388	92.2
162.02931	4.6
163.04021	0.7
164.03468	1.8
167.03366	0.7
175.03932	4.3
177.01930	1.0
177.05479	7.3
179.03465	32.9
180.02847	6.3
185.21347	0.6
189.05524	1.2
198.04037	1.2
203.03494	13.9
221.04483	4.3
229.18095	1.7
230.44852	1.0
233.04509	1.3
251.05713	1.5
281.06595	1.7
323.07648	1.8
341.08914	9.9
342.08441	5.3
359.14499	0.8
359.27972	2.4
360.09406	18.0
360.28378	1.3
361.09723	1.7
391.23450	1.5
475.12546	38.7
476.13095	6.7
521.26465	0.7
521.33386	19.3
521.67310	2.1
522.12622	100.0
522.33691	14.9
523.12964	14.3
523.21045	2.0
523.34570	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.1262
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01769	1.4
57.03329	1.2
58.00488	0.7
59.01267	13.6
61.98710	0.7
64.01823	2.1
65.99735	2.2
71.01272	12.6
71.59349	0.5
72.01587	0.4
72.99210	1.0
73.02838	3.4
81.03349	0.4
83.01271	1.9
84.04892	0.3
85.02837	6.2
87.00771	1.3
89.02336	5.2
91.01826	0.3
91.05428	0.4
93.06995	0.8
94.02885	1.0
95.01300	1.9
97.02837	0.6
99.00774	1.7
101.02345	9.9
102.02686	0.6
105.03388	1.0
106.02892	1.0
107.04946	0.6
108.02092	0.3
109.02869	2.4
111.00800	1.5
113.02367	5.7
117.03384	0.9
119.03420	2.3
121.01579	0.3
121.02859	0.9
122.02402	1.7
122.03671	2.6
123.03180	0.6
123.04447	1.6
124.03992	0.5
125.02361	0.6
132.02078	1.8
133.02881	28.5
134.02391	3.1
134.03632	3.4
135.04448	39.0
136.04799	1.9
137.02367	2.9
138.03133	0.7
139.03943	0.6
143.10735	0.4
147.04451	0.7
148.05255	1.2
149.02367	1.8
149.06020	3.2
150.01968	2.1
150.03159	30.6
151.03952	2.3
152.03450	0.6
161.02388	97.5
162.01678	1.0
162.02930	4.0
163.02702	0.5
164.03464	1.5
168.02924	0.6
175.03934	3.2
177.01889	0.7
177.05518	6.8
178.02754	0.8
179.03459	33.5
180.02863	6.4
181.03391	0.4
181.05042	0.4
182.04822	0.3
189.05548	0.7
193.05165	0.4
195.19583	0.4
198.03966	2.2
203.03481	12.5
203.97614	0.4
204.03879	1.0
221.04527	3.2
222.04910	0.4
229.18047	1.1
233.04517	1.1
240.05328	0.5
251.05618	1.4
281.06641	2.3
323.07828	1.4
327.06265	0.4
340.07693	0.5
341.08813	7.4
342.08432	4.9
359.28165	0.7
360.09430	23.3
361.09842	2.4
386.07346	0.9
391.23370	2.1
392.23654	0.6
475.12543	35.3
476.13000	7.6
521.25421	0.4
521.33374	13.5
522.12622	100.0
522.33636	8.7
523.12976	17.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2536
Annotation	Cognatine
Peak:m/z	Relative Intensity
59.01251	4.1
69.36115	8.8
69.36543	8.9
78.95794	23.7
87.84492	1.6
89.39556	1.7
90.13535	1.5
96.96856	1.9
110.82125	1.8
113.09615	6.3
119.04900	5.3
121.02857	3.6
121.10143	11.4
121.10855	1.8
133.02809	4.8
134.03625	2.2
135.04404	5.4
137.08357	1.9
145.02908	12.2
152.99522	35.1
161.02362	9.4
163.03899	2.9
168.40982	1.7
171.00542	4.6
171.10213	28.8
179.03432	2.1
183.10191	1.9
183.13844	4.0
193.04997	4.2
195.13734	4.5
227.03220	4.4
231.21135	3.1
245.04312	5.0
275.20242	29.0
276.20514	4.6
285.70502	1.9
293.21313	98.6
294.21613	10.8
295.22821	4.6
295.93640	1.9
296.23096	7.7
372.21091	1.9
429.22763	3.3
447.23856	2.6
521.25323	100.0
522.25592	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	522.1266
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01768	0.5
58.00486	1.1
59.01265	26.3
60.01599	0.9
64.01803	1.6
65.99726	1.4
71.01270	14.8
71.01666	0.7
71.58062	0.8
72.01599	0.9
72.99205	1.6
73.02825	1.2
82.85899	0.4
83.01273	1.5
85.02835	3.6
87.00786	1.5
89.02341	15.5
93.03340	0.4
94.02894	1.0
95.01276	1.7
97.02855	0.4
99.00772	1.1
101.02349	13.0
102.02676	0.8
102.64312	0.3
105.03400	0.4
106.02880	0.6
108.02086	0.4
109.02871	1.8
111.00824	0.4
113.02358	5.6
114.02713	0.7
117.03342	0.5
119.03418	8.0
120.03783	0.7
121.02893	1.5
122.02407	1.2
122.03650	2.4
123.00813	0.8
123.04457	2.1
124.03988	0.4
125.02380	0.5
131.03430	0.8
132.02089	1.5
133.02885	27.8
134.02435	2.8
134.03688	2.5
135.04448	25.2
136.04799	1.1
137.02348	1.4
138.03125	0.8
139.03908	0.5
143.03435	0.8
147.04472	0.8
148.05130	0.4
149.02391	2.7
149.04631	0.4
149.06024	1.4
150.01968	2.6
150.03157	27.8
151.03981	4.3
152.03455	0.6
155.88191	0.3
159.04448	0.5
160.01474	0.4
160.05203	0.4
161.02388	100.0
162.01663	1.1
162.02951	4.4
162.04095	0.5
162.04597	0.3
163.04010	0.4
164.03477	1.4
164.04794	0.6
165.05563	1.7
172.05286	0.4
173.06042	0.5
175.03955	2.4
176.04636	0.3
177.01933	0.5
177.05524	3.5
178.02661	0.6
179.03467	21.6
179.05505	1.6
179.07019	0.9
180.02914	8.5
181.03387	0.5
189.05515	1.4
190.06209	0.5
191.89619	0.3
198.04076	1.6
203.03477	8.1
204.03894	0.5
205.05005	0.6
205.08662	0.5
221.04709	1.6
233.04457	1.1
281.06619	0.4
323.07751	1.3
335.58911	0.4
339.07263	0.5
341.08862	4.1
341.13885	1.1
342.14294	1.5
343.15335	0.4
346.14059	0.8
360.09439	35.5
361.09857	2.9
361.16537	5.8
386.07285	2.1
475.12576	27.2
475.18005	0.4
476.13080	4.2
521.33319	0.8
522.12646	87.0
523.12976	12.4
523.21844	7.1
523.29358	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2042
Annotation	(7S,8R)-Dehydrodiconiferyl alcohol 9-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
55.01760	1.5
57.03317	1.4
59.01265	23.7
61.98716	27.0
64.01815	0.8
71.01273	15.9
71.09445	2.2
72.99204	1.8
73.02838	3.4
83.01282	3.2
85.02844	6.7
85.99962	0.8
87.00768	2.8
89.02346	5.7
91.88493	0.7
95.01266	1.8
99.00797	2.1
101.02357	9.7
102.52062	0.7
109.02850	1.4
113.02367	4.8
119.03454	2.2
121.02872	4.7
127.81774	0.8
133.02873	1.6
134.02371	1.2
135.04475	3.5
136.01588	0.9
145.02907	2.2
146.03677	0.9
147.04443	1.1
149.06015	2.2
150.02036	1.1
150.03130	5.1
151.03952	2.0
159.04453	2.1
161.02400	6.6
164.04688	0.9
177.05528	1.2
179.03436	3.4
180.02951	1.2
221.04559	1.1
237.09229	1.1
240.04424	1.5
249.08965	0.8
255.06606	1.4
255.10472	0.8
265.08716	1.2
267.06683	2.1
268.07477	3.9
269.08334	4.9
270.08789	2.5
279.07062	0.8
280.07382	1.7
281.08389	9.7
282.09076	5.3
283.09808	5.5
284.10159	1.3
293.08261	2.6
294.08755	1.5
295.09866	3.2
296.10571	1.7
297.10925	1.1
299.09415	3.9
300.10062	1.6
309.11136	1.1
311.09280	5.0
312.09912	1.2
313.10773	1.0
314.07980	2.4
314.11707	7.2
315.12384	4.1
325.11044	1.4
326.11624	10.3
327.12341	6.9
328.12952	1.2
329.14008	11.6
330.14163	1.9
340.09479	1.5
341.13947	6.6
343.11993	2.3
355.11996	5.5
357.13400	2.0
359.14597	1.1
360.09454	15.2
369.13589	1.2
385.14972	1.9
445.15402	1.0
461.14615	1.5
473.14355	3.8
475.12552	3.1
476.17096	8.0
477.17242	1.5
488.17099	6.1
489.17191	0.9
491.19339	100.0
492.19699	16.0
503.19354	90.4
504.19696	13.6
522.12640	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	521.2042
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03333	1.5
58.00491	4.0
58.07711	0.6
59.01265	96.5
60.01606	1.6
60.75821	0.6
61.98717	16.2
69.63883	5.6
71.01270	67.5
72.01614	2.0
72.99197	4.8
73.02837	0.9
83.01266	1.7
85.02848	9.4
87.00757	3.8
89.02337	100.0
90.02679	1.2
95.01289	4.0
98.19890	1.4
99.00764	0.8
101.02349	35.9
102.02648	1.1
113.02357	25.7
114.02674	1.2
119.03417	35.5
125.02354	0.9
131.03430	4.5
135.04416	2.8
143.03441	6.3
145.02875	2.7
146.03598	1.0
149.04463	2.8
150.03159	3.6
151.03929	0.9
161.02428	5.9
161.04492	6.3
179.03419	2.0
179.05521	13.4
179.06998	1.3
180.05832	0.8
198.96193	0.7
203.03479	0.7
220.65317	0.7
221.04384	0.9
223.09651	0.8
224.04738	2.9
227.10690	0.8
238.06358	2.6
239.10788	1.4
241.08693	1.5
252.04353	0.8
253.08669	1.0
255.10327	6.4
265.08908	1.1
266.05740	2.6
267.10208	1.9
269.11856	2.2
270.12442	2.7
282.08731	1.8
283.09808	29.3
284.10031	2.7
284.20886	0.8
294.08990	2.3
295.09830	3.8
296.10358	2.7
297.11240	1.8
298.08939	1.1
298.12097	5.6
309.07684	1.1
309.11133	1.6
310.08020	2.2
310.11890	3.1
311.09314	78.3
312.09689	7.1
312.13055	1.3
324.09723	1.1
325.07794	0.8
325.10840	8.3
326.11642	44.8
327.12015	5.0
339.12408	1.3
340.12711	0.9
341.13989	84.3
342.14398	9.4
359.27167	0.9
360.09381	10.3
475.12524	3.6
521.16364	1.6
521.25714	1.0
521.33160	1.5
522.05426	0.9
522.12610	11.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2041
Annotation	Unknow
Peak:m/z	Relative Intensity
55.26012	0.3
59.01239	1.1
69.27180	2.8
69.27583	0.6
71.01273	2.5
73.02837	0.6
79.84984	0.3
85.02837	1.0
89.02307	0.5
98.20561	0.6
101.02341	1.2
108.02061	0.3
113.02363	1.0
121.02861	3.9
122.03641	1.2
123.00768	0.7
123.04404	0.8
124.01557	0.4
133.02867	0.5
135.04460	0.6
136.05186	0.9
137.02367	0.7
143.04913	0.5
145.02888	0.6
146.03650	0.4
147.04465	2.0
148.56966	0.3
149.02435	1.5
150.03152	4.5
151.03894	0.9
153.05438	0.4
158.03674	2.1
159.04460	6.2
160.05246	25.4
161.02382	0.6
161.04477	1.1
161.05988	7.0
162.06427	0.4
163.03961	4.8
164.03413	0.5
164.04732	4.7
165.05350	0.3
167.03534	0.3
173.06027	3.3
174.06715	0.4
175.07608	22.1
176.04787	0.7
176.07941	1.3
177.05524	5.9
178.06306	7.5
179.03322	0.3
179.06804	0.4
192.07880	1.2
193.05031	0.3
193.08754	2.3
299.02078	0.4
314.11633	0.7
329.14014	100.0
330.14371	10.8
330.17450	0.2
359.15063	4.3
360.15268	0.5
521.17041	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2042
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	1.5
57.03317	1.4
59.01265	23.7
61.98716	27.0
64.01815	0.8
71.01273	15.9
71.09445	2.2
72.99204	1.8
73.02838	3.4
83.01282	3.2
85.02844	6.7
85.99962	0.8
87.00768	2.8
89.02346	5.7
91.88493	0.7
95.01266	1.8
99.00797	2.1
101.02357	9.7
102.52062	0.7
109.02850	1.4
113.02367	4.8
119.03454	2.2
121.02872	4.7
127.81774	0.8
133.02873	1.6
134.02371	1.2
135.04475	3.5
136.01588	0.9
145.02907	2.2
146.03677	0.9
147.04443	1.1
149.06015	2.2
150.02036	1.1
150.03130	5.1
151.03952	2.0
159.04453	2.1
161.02400	6.6
164.04688	0.9
177.05528	1.2
179.03436	3.4
180.02951	1.2
221.04559	1.1
237.09229	1.1
240.04424	1.5
249.08965	0.8
255.06606	1.4
255.10472	0.8
265.08716	1.2
267.06683	2.1
268.07477	3.9
269.08334	4.9
270.08789	2.5
279.07062	0.8
280.07382	1.7
281.08389	9.7
282.09076	5.3
283.09808	5.5
284.10159	1.3
293.08261	2.6
294.08755	1.5
295.09866	3.2
296.10571	1.7
297.10925	1.1
299.09415	3.9
300.10062	1.6
309.11136	1.1
311.09280	5.0
312.09912	1.2
313.10773	1.0
314.07980	2.4
314.11707	7.2
315.12384	4.1
325.11044	1.4
326.11624	10.3
327.12341	6.9
328.12952	1.2
329.14008	11.6
330.14163	1.9
340.09479	1.5
341.13947	6.6
343.11993	2.3
355.11996	5.5
357.13400	2.0
359.14597	1.1
360.09454	15.2
369.13589	1.2
385.14972	1.9
445.15402	1.0
461.14615	1.5
473.14355	3.8
475.12552	3.1
476.17096	8.0
477.17242	1.5
488.17099	6.1
489.17191	0.9
491.19339	100.0
492.19699	16.0
503.19354	90.4
504.19696	13.6
522.12640	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	520.1683
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	0.2
59.59192	0.1
61.98717	100.0
62.98425	0.1
67.12811	0.1
70.23672	0.1
71.01281	0.2
71.59460	0.1
85.02869	0.1
101.02361	0.1
119.95180	0.1
121.02853	0.1
133.02931	0.1
146.03667	0.1
149.06024	1.2
161.02396	0.2
169.39297	0.1
179.07153	0.2
202.04413	0.1
232.35591	0.1
326.12006	0.1
329.14441	0.1
457.17447	0.1
491.19397	0.9
503.19391	0.7
521.17151	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	520.1684
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73023	1.5
55.82730	1.2
58.00469	3.4
59.01266	66.6
60.00788	7.6
69.03349	7.3
69.21140	1.3
69.25732	14.0
71.01272	85.7
72.01608	1.7
72.99216	2.8
73.02840	8.9
81.03348	4.9
83.01273	4.5
85.02851	13.1
86.03169	1.6
87.00764	2.5
89.02340	85.9
90.02659	1.7
93.54336	1.3
95.01295	1.5
96.95847	1.7
97.02857	8.9
98.19799	2.4
99.00775	4.1
101.02335	19.5
109.02910	1.5
113.02364	13.4
119.03381	4.0
119.04938	5.4
125.02368	32.2
131.03432	20.1
132.15109	1.2
135.04396	1.9
143.03427	4.0
149.04501	33.7
161.02422	1.2
166.05042	21.3
173.04633	1.8
179.03337	2.2
183.20111	1.3
191.05586	11.5
233.06787	7.4
293.08865	100.0
294.09100	7.8
344.12750	3.1
359.15131	7.0
413.14734	2.7
418.23438	1.4
460.14374	2.6
477.55963	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2693
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	0.6
62.95980	0.1
62.96273	0.3
65.12685	0.1
69.38679	1.3
78.95795	43.2
88.98674	0.2
96.96862	5.8
97.92148	0.2
98.19687	0.1
101.07729	0.1
102.85233	0.1
106.08168	0.2
110.03872	0.1
126.35053	0.1
141.59212	0.1
150.97958	1.8
152.99525	100.0
153.99861	1.5
171.00592	3.6
182.55823	0.1
211.07628	0.3
240.02829	0.2
279.23300	1.2
280.23761	0.9
418.49353	0.1
433.23688	24.4
434.24026	3.0
520.26910	6.5
521.27344	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1888
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66341	0.7
53.79848	0.7
55.70329	0.7
57.03328	0.9
58.00483	2.0
59.01265	44.6
60.86838	0.8
61.77355	0.7
61.98708	3.2
67.49694	0.9
69.03344	3.9
70.44601	2.0
71.01270	57.5
72.01606	1.1
72.99205	5.3
73.02826	5.0
75.00772	0.8
81.03352	2.8
81.10972	0.7
83.01283	3.9
85.02856	7.6
87.00762	3.0
89.02336	52.1
90.02702	1.0
91.00261	2.7
93.03343	0.8
95.01237	1.1
97.02831	6.6
99.00769	1.8
101.02342	11.0
106.04150	2.4
107.04941	18.1
113.02354	7.4
117.07235	0.7
119.03419	2.4
121.02857	0.9
123.00687	0.9
123.04430	1.8
125.02363	23.9
126.13667	0.8
131.03424	13.8
135.04453	68.8
136.04774	3.2
139.03903	0.8
143.03400	1.9
149.04501	23.9
154.89500	0.9
167.03470	1.7
191.05542	7.8
198.17064	0.9
216.57053	0.8
233.06572	3.9
243.87868	0.9
271.91220	0.7
293.08859	100.0
294.09256	6.6
337.07779	0.9
429.14108	8.4
438.08209	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2458
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	7.5
56.49201	0.7
57.03338	6.0
57.37907	0.7
58.00473	2.7
59.01265	100.0
60.01611	1.8
61.30992	0.6
61.59317	0.7
61.98723	2.8
68.99725	0.9
69.03358	1.1
69.48125	6.6
71.01270	98.3
72.01607	2.0
72.99185	4.1
73.02835	30.9
75.00788	2.2
83.01275	18.7
84.02062	0.9
85.02845	44.0
86.03178	1.0
87.00772	6.1
89.02338	20.2
95.01281	9.5
96.10271	0.7
97.02855	3.7
98.19827	1.5
99.00785	13.5
101.02348	75.4
102.02699	1.8
103.03957	1.5
111.00838	1.4
113.02358	42.0
114.02677	0.9
119.03418	6.1
119.04877	0.8
121.02858	1.6
123.04461	0.9
123.52950	0.7
125.02359	6.8
127.03977	0.9
129.01863	1.6
131.03450	2.4
133.02876	3.8
135.04488	3.1
137.02400	1.1
143.03403	6.6
145.02933	1.0
148.57184	0.9
149.06042	1.2
150.03226	1.5
159.02946	8.9
161.02440	10.9
161.04495	34.6
162.02736	1.6
162.04918	1.7
163.06107	2.9
167.03589	0.9
179.03464	2.2
179.05632	1.7
191.07118	1.0
205.03590	1.0
205.07205	2.3
221.06757	1.3
297.17081	0.9
313.16608	0.9
315.18201	13.6
316.18442	1.0
325.10934	1.1
342.11453	2.4
343.11911	0.9
344.48532	0.8
357.13678	3.9
357.19373	5.0
357.26465	3.5
378.48035	0.9
383.15103	2.0
392.12381	1.0
428.62079	3.0
429.12161	1.0
459.22546	9.3
460.22455	1.0
477.23499	82.6
478.23737	10.5
481.21246	1.2
488.68484	1.2
518.69470	4.0
519.19452	5.5
519.24896	78.1
519.31561	6.6
520.19476	1.2
520.25330	11.5
520.32355	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2457
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01770	3.1
57.03333	7.1
58.00482	1.9
59.01265	100.0
60.01607	1.6
60.99181	0.7
61.98711	1.9
67.71690	0.6
69.03345	2.8
69.33163	1.1
69.33566	5.3
71.01270	58.0
71.04934	0.8
72.01632	1.0
72.99196	7.0
73.02834	45.3
74.03184	0.6
74.99359	0.6
75.00761	9.2
81.03377	2.2
83.01274	11.5
85.02843	61.2
85.24237	0.5
86.03187	1.6
87.00765	6.7
87.04420	2.2
89.02340	18.2
95.01278	4.1
97.02840	5.2
99.00783	6.2
99.04465	1.4
101.02348	51.5
102.02696	1.6
104.92603	0.6
109.02865	0.6
111.00794	0.8
113.02359	24.8
115.03932	2.0
119.03416	8.2
123.00790	0.8
124.01582	21.6
125.02392	6.4
129.01920	0.7
131.03490	0.8
133.02820	0.7
135.04469	1.1
143.03430	10.3
143.37079	0.6
145.02979	0.9
149.04478	0.7
153.12845	1.3
159.02957	4.0
161.02361	3.5
161.04501	72.0
162.04845	2.9
179.03568	0.7
179.05658	1.9
197.11829	1.0
205.03708	1.0
235.08185	3.7
244.00511	0.6
297.17178	11.5
298.17609	1.0
311.10199	0.7
315.18188	73.3
316.18448	6.8
347.25873	0.7
357.19272	23.6
357.26663	1.7
358.19736	2.1
367.17896	0.8
381.19763	0.8
392.12247	1.1
459.22440	21.5
460.22665	2.8
477.23486	40.4
478.23773	5.3
518.71100	0.8
519.24841	20.4
519.32166	10.7
520.25214	3.6
520.31763	1.1
521.01355	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2461
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16607	0.5
55.01772	6.3
56.41046	0.5
57.03342	7.8
58.00483	1.9
59.01268	100.0
60.01617	0.7
60.99204	0.7
61.51072	0.5
61.98717	1.5
67.09340	0.5
69.03339	1.9
69.85171	3.0
71.01273	75.9
71.04929	0.5
72.01599	2.0
72.99199	7.1
73.02839	23.1
75.00764	9.7
81.03350	2.3
83.01282	14.1
84.02062	0.8
85.02846	71.3
86.03197	1.7
87.00770	4.7
87.04421	3.4
89.02341	18.6
95.01297	7.1
97.02855	4.5
99.00784	9.9
99.04421	1.5
101.02352	66.1
102.02666	0.8
113.02361	35.0
115.03931	3.3
117.03397	0.7
119.03429	7.0
119.04930	0.6
124.00655	0.7
124.01585	13.9
125.02380	15.6
126.02728	0.7
129.01874	1.8
131.03421	1.5
133.02847	1.1
135.04424	1.2
137.02377	1.0
143.03438	21.2
144.03761	0.6
145.02913	2.5
145.04912	0.5
147.04413	1.9
148.82216	0.5
149.04433	0.8
149.05984	0.6
149.76180	0.5
153.12822	1.2
159.02950	7.0
161.02321	1.3
161.04507	51.9
162.04819	2.0
162.83856	0.7
174.70667	0.5
178.02563	0.6
179.03413	1.0
179.05577	3.3
197.11792	0.7
205.03490	1.2
211.13307	0.9
235.08229	5.0
253.65158	0.5
261.70245	0.6
275.45142	0.5
279.15869	0.7
293.08685	0.7
297.17166	2.7
315.14581	0.8
315.18182	14.3
316.18390	1.4
350.69907	0.5
357.19229	5.0
357.26367	1.2
358.19434	0.6
381.19128	0.8
385.87613	0.5
459.22440	19.1
460.22845	3.3
477.23532	59.1
478.23859	7.9
519.24048	10.1
519.31671	5.6
520.23938	1.8
520.32117	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01271	0.2
61.98713	0.2
62.10689	0.2
62.96286	0.2
71.58781	0.3
78.95793	51.5
96.96861	6.0
121.02916	0.3
145.02910	0.3
150.97983	1.6
152.99525	100.0
153.99869	1.7
171.00591	4.5
207.48848	0.2
211.07715	0.5
286.29016	0.2
365.27075	0.6
519.27362	17.2
520.27753	3.0
520.34808	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.3489
Annotation	Unknow
Peak:m/z	Relative Intensity
70.65824	1.0
70.88866	0.3
83.68494	0.3
86.81220	0.3
125.02385	0.6
132.05707	0.5
146.81931	0.3
152.54254	0.3
152.99496	0.7
158.03665	0.5
159.08075	0.4
161.61986	0.3
167.03484	0.3
172.20601	0.4
185.06000	0.5
193.01443	0.3
281.15448	0.7
307.13541	0.7
311.20041	0.5
337.21936	1.0
339.19870	0.6
339.23419	0.7
365.21283	10.8
366.21664	1.5
383.22357	0.9
404.72549	0.3
466.22360	0.3
489.96783	0.3
519.34906	100.0
520.35223	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	519.1882
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37220	1.0
58.00482	3.8
59.01264	77.1
61.98719	47.5
71.01270	46.9
72.99206	4.8
73.02849	2.3
73.35966	1.0
78.12272	1.0
83.01242	1.6
85.02837	8.6
87.00779	1.7
89.02341	63.5
95.01279	5.6
98.19730	2.0
101.02341	18.8
110.01337	1.3
113.02359	19.6
119.03425	23.4
126.13082	1.1
131.03441	2.7
135.04466	1.8
136.01521	1.3
143.03421	4.2
145.02878	3.9
149.04588	1.3
149.06044	6.4
151.03979	1.3
161.02441	2.9
161.04500	4.6
161.05756	1.4
163.03966	1.8
178.59792	1.2
179.05577	8.5
205.04921	1.1
207.08215	1.5
217.06750	1.6
219.08125	2.6
221.06013	3.1
229.56357	1.3
234.06931	1.8
235.07587	5.4
237.09171	2.6
239.07269	2.0
245.06265	1.6
247.07733	1.3
252.07874	1.7
253.05104	1.3
253.08693	5.9
262.06473	2.0
263.07181	14.7
264.07678	2.0
265.08688	1.7
268.11066	1.5
276.07855	1.5
280.07401	2.2
281.08267	25.8
282.08588	3.7
291.06772	7.7
292.07425	5.4
293.08273	8.8
294.09006	3.8
295.10223	1.2
296.10507	6.0
307.09842	2.3
308.07483	1.3
308.10663	5.8
309.07764	100.0
309.10873	3.8
310.08047	10.3
323.09308	12.7
324.06613	0.9
324.10065	43.6
325.10474	5.2
339.12442	81.1
340.12875	11.0
390.79993	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	519.2247
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03334	0.9
59.01264	20.0
61.98711	1.5
69.03320	0.5
71.01276	6.3
72.99195	0.6
73.02859	2.1
83.01260	1.1
85.02843	3.0
85.99995	0.7
86.16255	0.5
87.00795	0.6
93.03323	0.6
95.01305	0.6
97.02814	0.5
99.00800	0.9
101.02349	3.3
103.11034	0.4
113.02360	1.4
117.03379	23.8
118.03651	1.2
119.04933	5.0
121.02885	2.2
125.02398	0.5
133.02879	1.5
135.04454	1.5
143.03407	0.5
145.02888	94.6
146.03220	4.7
149.06085	0.6
161.02367	3.2
161.04506	0.7
162.03165	1.3
163.03990	4.3
177.64214	0.5
179.03452	0.9
189.05673	0.6
191.63184	0.4
216.86700	0.5
226.57913	0.5
235.05325	0.5
279.76578	0.5
287.22357	2.8
315.16101	21.0
316.16467	2.2
357.17279	2.1
357.26523	2.1
384.12558	2.0
384.62988	0.7
385.16882	1.0
399.18219	1.0
459.20358	18.2
460.20654	2.4
477.21408	60.1
478.21753	10.2
488.14633	0.5
495.62143	0.5
519.22498	100.0
519.31500	7.6
519.73169	0.6
520.22882	17.5
520.31989	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2248
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91087	0.5
51.11857	0.5
54.17209	0.5
54.86131	0.5
57.03335	0.7
59.01263	14.3
61.98722	0.9
66.75549	0.5
70.13186	0.5
71.01269	3.0
71.57502	0.7
71.57958	1.0
73.02788	0.8
78.95770	0.7
82.97231	0.5
83.01284	1.0
85.02840	2.0
101.02340	1.8
113.02335	1.1
116.35519	0.6
117.03378	16.1
118.03700	0.8
119.04947	6.1
121.02849	2.0
123.04456	0.7
133.02864	0.7
145.02884	55.9
146.03235	2.6
161.02444	0.6
162.03168	0.7
163.03963	5.4
224.01329	0.5
240.97221	0.5
266.75354	0.5
270.76816	0.5
315.16077	13.8
316.16473	1.9
357.17123	1.1
399.18469	1.0
459.20370	16.3
460.20874	2.7
477.21384	40.2
478.21722	5.4
519.22449	100.0
520.22778	15.6
533.79651	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2534
Annotation	Unknow
Peak:m/z	Relative Intensity
56.12954	0.2
59.01262	1.4
59.31192	0.2
61.64600	0.2
62.96266	0.3
66.81632	0.2
69.47364	1.6
71.19474	0.2
78.95794	43.2
86.77178	0.2
96.96867	5.9
150.97948	1.7
152.99525	100.0
153.99857	1.8
171.00587	3.6
277.21802	1.3
278.22147	1.4
374.00882	0.3
431.22119	23.2
432.22418	3.5
518.25348	6.0
519.27057	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	519.1156
Annotation	Isorhamnetin 3-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
55.01741	0.4
57.03340	1.8
58.42542	0.3
58.87298	0.4
59.01265	14.3
61.98716	20.6
63.02288	0.4
63.70792	0.3
65.00204	0.4
71.01268	4.8
71.57800	0.4
72.99195	0.6
73.02836	2.6
75.00772	0.4
83.01282	1.2
85.02858	1.6
87.00789	0.5
89.02334	1.5
94.75307	0.3
99.00780	0.6
99.04417	2.4
101.02356	4.6
107.01318	0.7
111.00800	0.5
113.02341	2.4
117.03387	0.4
119.03394	1.0
119.04871	0.4
123.04426	0.5
125.02393	1.8
131.03453	0.3
133.02879	2.9
134.03180	0.4
135.04430	3.0
137.02379	0.5
143.03403	0.6
145.02899	0.7
149.04523	0.3
149.06058	0.4
150.03194	0.4
151.00322	3.0
153.01921	0.6
161.02397	10.0
161.04390	1.5
162.02779	0.8
163.03972	0.5
169.01318	0.5
171.04436	1.1
175.04024	0.9
178.99815	0.6
179.03476	1.3
187.04060	0.4
195.06567	0.9
199.03993	3.9
201.01860	1.7
203.03481	1.4
203.05333	0.4
204.04190	0.8
215.03519	3.5
217.85802	0.3
225.02007	0.5
226.02692	0.7
227.03500	4.6
227.12845	0.7
228.03799	0.4
229.01369	0.5
232.68840	0.4
242.02219	9.4
243.03014	43.7
244.03389	3.3
255.03046	1.0
257.04590	13.3
258.04990	1.7
270.01767	11.9
270.04495	0.3
271.02530	43.0
272.02908	3.7
284.03311	0.4
285.04105	24.8
286.04785	8.5
287.05289	0.9
299.02051	8.8
299.05222	0.5
300.02704	4.6
301.03189	0.4
313.03757	0.5
314.04391	48.3
315.05008	11.3
316.05447	0.8
353.47971	0.3
357.06161	1.0
384.12576	0.7
392.12167	0.9
392.62546	0.5
459.22433	0.9
477.23422	0.6
483.29913	0.7
510.19400	1.1
510.28952	0.3
510.69098	0.6
519.11542	100.0
519.31769	3.1
519.69733	1.3
520.11896	15.5
520.19708	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1884
Annotation	Pinoresinol O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
52.16829	0.2
59.01267	1.4
60.32680	0.2
70.98052	0.3
70.98379	0.4
71.01276	3.4
72.99207	0.6
73.02845	0.7
84.02061	0.4
85.02836	1.4
89.02395	0.3
93.03362	0.5
95.01324	0.4
97.02856	0.3
99.00774	0.5
101.02364	1.4
106.79116	0.2
107.04942	0.2
108.02084	0.9
109.02891	0.5
113.02356	1.4
119.03480	0.2
121.02878	4.2
122.03680	2.0
123.00832	0.4
123.04461	0.3
124.01595	0.4
133.02905	0.6
134.03653	0.7
135.04456	1.0
136.01595	58.0
137.02045	2.1
138.03186	0.2
143.03491	0.2
145.06535	0.3
149.06021	1.1
150.03172	0.2
151.03952	89.9
152.04303	4.5
159.03075	0.4
159.04474	0.7
160.05219	0.8
161.02402	1.7
161.04491	2.1
162.03195	1.2
163.03969	0.8
175.03903	0.6
175.07587	1.4
176.04607	0.3
177.05557	0.8
179.03474	0.8
179.07094	0.3
189.05571	0.3
190.06415	0.5
193.05034	0.6
205.05032	0.5
211.06116	0.6
233.04617	0.3
301.00034	0.2
311.13022	0.5
312.82776	0.2
342.11130	4.3
343.11502	0.4
354.93976	0.3
357.13513	100.0
358.13867	11.4
400.06714	0.5
494.18417	0.2
519.15802	1.3
519.24451	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1784
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84523	0.2
54.98118	0.1
55.01762	0.4
57.03348	0.2
59.01265	19.2
60.01585	0.2
61.98696	0.2
67.01791	0.2
69.03348	0.5
70.47391	0.3
70.47789	0.3
71.01271	4.5
72.99194	0.4
73.02837	3.5
75.00752	1.0
81.03362	0.5
83.01279	1.0
85.02847	1.9
87.00775	1.1
89.02337	2.2
89.52915	0.1
95.01289	0.3
96.95901	1.0
97.02851	1.2
99.00777	4.9
99.04420	0.7
101.02349	3.6
109.02878	0.8
111.00776	0.6
113.02358	1.7
115.03922	2.1
115.56036	0.1
116.04314	0.2
117.03374	0.2
119.03389	0.2
119.04879	0.2
125.02375	3.0
127.03921	0.4
131.03439	1.3
133.02870	0.6
135.02913	0.9
135.04488	0.7
137.02330	0.9
143.03432	2.8
147.04424	0.2
149.04500	0.4
149.06023	2.5
151.03941	0.2
155.03400	0.2
161.02380	1.1
161.04541	0.4
161.06055	0.1
161.58366	0.1
162.03169	0.4
163.03972	2.2
164.04739	100.0
165.05084	5.4
167.03519	0.3
173.04474	0.8
175.06032	0.3
177.01913	2.4
177.05504	1.3
178.02232	0.2
178.06320	0.5
179.07098	70.5
180.07449	4.1
191.05597	2.3
205.07159	1.9
207.02887	0.2
215.05586	1.4
221.08160	0.2
233.06664	7.1
234.07043	0.4
243.79686	0.1
249.07761	0.2
257.06799	1.0
275.07776	2.2
283.23764	0.2
293.08829	4.1
294.09177	0.2
300.48105	0.2
305.10303	0.3
323.11429	0.9
335.09879	4.7
336.10275	0.4
341.12543	0.4
365.12112	0.2
383.13467	1.0
383.23566	0.2
392.12289	0.6
455.15677	5.3
456.16104	0.6
466.30313	0.1
473.16727	9.5
474.17154	1.2
515.17834	6.3
516.18018	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1783
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01782	0.1
57.03337	0.2
59.01266	10.7
61.98713	0.4
69.03345	0.8
71.01270	4.4
71.28197	0.3
72.99192	0.5
73.02833	3.2
75.00764	1.1
81.03342	0.3
83.01284	1.0
85.02846	2.3
87.00777	1.3
89.02337	2.6
93.03349	0.2
95.01281	0.2
96.95920	2.0
97.02849	1.7
99.00783	5.1
99.04401	0.8
100.01122	0.2
101.02352	3.5
109.02857	0.8
111.00798	0.5
113.02354	1.7
115.03913	1.9
117.01851	0.3
117.03375	0.2
119.03389	0.2
119.04944	0.2
121.38835	0.1
123.93121	0.1
125.02380	3.1
126.02699	0.2
127.03955	0.5
129.01927	0.2
131.03452	1.5
133.02872	0.4
135.02907	0.2
135.04439	0.7
137.02364	1.4
138.03099	0.2
143.03448	3.1
145.02907	0.2
147.04507	0.1
149.04541	0.3
149.06012	1.3
151.03999	0.2
155.03481	0.3
161.02402	0.9
161.04536	0.4
162.03136	0.5
163.03970	2.3
164.04741	100.0
165.05090	4.6
167.03439	0.2
173.04491	0.6
175.06055	0.3
177.01900	2.2
177.05518	1.4
178.02176	0.2
178.06281	0.3
179.07101	76.9
180.07428	4.2
185.04524	0.2
191.05586	2.1
205.07164	2.1
215.05591	1.7
221.08115	0.3
233.06674	6.8
234.07124	0.4
245.08383	0.2
248.20190	0.1
249.07619	0.3
257.06775	1.0
275.07837	2.6
276.08017	0.3
287.09439	0.2
293.08859	4.5
294.09174	0.4
305.10416	0.4
309.68707	0.2
317.08838	0.4
323.11490	1.1
335.09930	5.2
336.10324	0.5
341.12479	0.4
365.12433	0.2
365.30045	0.1
371.97168	0.1
378.14380	0.1
383.13528	1.3
392.12152	0.7
443.27203	0.2
455.15701	5.1
456.16013	0.6
473.16754	9.1
474.16943	0.9
515.17865	5.9
516.17932	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1572
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37708	1.7
57.03334	6.3
58.00481	3.2
59.01263	100.0
69.03343	3.9
71.01270	72.8
71.59718	3.1
71.60057	2.1
72.99190	9.5
73.02834	21.9
75.00768	3.6
76.87859	1.7
83.01295	8.9
85.02846	17.5
87.00760	18.1
89.02335	66.7
93.03358	4.0
95.01284	4.6
96.95908	3.5
97.02859	5.8
99.00771	10.6
101.02348	57.9
113.02360	30.6
119.03435	17.8
119.04939	36.8
120.05278	2.1
124.01576	3.2
125.02351	16.1
131.03432	13.4
133.02841	2.7
135.04422	4.8
137.06001	33.8
143.03456	9.7
145.02902	2.9
149.04546	9.7
155.03484	1.9
161.02391	7.5
161.04518	5.7
173.13846	1.9
179.05556	4.1
191.05545	14.7
205.05026	6.4
233.06615	3.8
245.08177	5.3
246.08540	2.1
281.10263	12.1
293.08945	6.8
295.92612	2.1
299.11475	11.6
341.12610	15.3
342.12442	2.4
359.24438	2.2
371.10687	3.4
374.70508	2.2
376.39984	2.0
413.14627	63.2
414.15024	7.8
431.15649	74.9
432.16113	10.1
443.95526	1.9
461.16681	3.9
473.16718	82.4
474.17062	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	515.1785
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95363	0.0
57.69287	0.0
59.01271	0.2
61.98715	12.1
62.98418	0.1
63.99132	0.1
71.01275	0.1
71.35201	0.1
71.35545	0.1
73.24358	0.0
77.19324	0.0
79.54098	0.0
96.95904	0.1
108.02052	0.2
119.04912	0.0
121.02943	0.0
121.06493	0.1
122.03639	0.4
124.01526	0.0
130.04097	0.1
131.04922	0.1
133.02821	0.0
135.04532	0.1
137.02328	0.1
147.04469	0.5
148.05246	1.0
149.06015	100.0
150.06352	4.9
161.02325	0.1
181.03307	0.0
191.07013	0.1
293.10419	0.1
311.11420	13.6
312.11780	1.1
353.12466	4.2
354.12790	0.5
405.12549	0.0
434.00540	0.0
452.97110	0.0
454.33755	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	515.1782
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61757	0.1
51.34450	0.0
59.01266	2.5
60.01608	0.0
68.99697	0.1
69.03381	0.0
70.71590	0.1
71.01258	0.3
73.02844	0.1
79.05411	0.1
81.03360	0.1
83.01282	0.0
85.02842	0.2
87.00770	0.1
88.91862	0.0
91.05456	0.1
93.03378	0.1
95.01333	0.0
96.95918	0.4
97.02838	0.4
98.02441	0.1
98.95515	0.1
101.02345	0.2
103.05476	0.1
105.03368	0.2
106.04108	0.1
106.10281	0.0
108.02077	0.2
109.02945	0.1
113.02386	0.1
119.04926	0.1
121.02898	0.1
121.06481	0.1
122.03642	0.4
124.01572	0.1
125.02375	0.1
129.03357	0.0
131.04950	0.2
134.03612	0.0
135.04407	0.1
136.01654	0.0
139.03923	0.1
143.03476	0.1
147.04468	2.9
148.05249	2.0
149.06023	100.0
150.06358	5.1
151.03935	0.1
161.02403	0.1
169.06552	0.1
175.07556	0.0
181.03214	0.1
187.04198	0.0
187.07564	0.1
191.05566	0.3
191.07101	1.5
192.07539	0.1
203.07108	0.1
215.07088	0.3
257.64047	0.0
263.09314	0.1
273.87555	0.0
293.10391	4.8
294.10684	0.4
311.11432	15.8
312.11792	1.3
312.14484	0.0
353.12485	7.3
354.12842	0.6
390.16537	0.0
515.11890	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	515.1784
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	1.9
61.19295	0.1
64.98103	0.1
68.99687	0.1
70.50243	0.3
71.01260	0.4
73.02821	0.1
76.61514	0.1
85.02825	0.2
89.02323	0.1
91.05436	0.1
93.03348	0.1
96.95913	0.2
97.02862	0.3
101.02333	0.2
103.05468	0.1
108.02060	0.1
109.02838	0.1
113.02425	0.1
119.04980	0.1
122.03647	0.3
131.04919	0.1
133.02901	0.1
134.03641	0.2
135.04440	0.3
137.02451	0.1
143.03453	0.1
147.04459	2.3
148.05235	1.6
148.13269	0.1
149.06023	100.0
150.06357	4.8
161.02396	0.3
174.64497	0.1
179.03442	0.2
191.05511	0.2
191.07085	1.1
215.07069	0.2
293.10379	3.0
294.10638	0.2
311.11441	13.2
312.11761	1.2
318.30820	0.1
335.07761	0.2
353.12482	6.5
354.12854	0.7
372.08670	0.1
379.16312	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.308
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01775	0.4
57.03333	0.2
58.00487	0.2
59.01265	6.5
67.70740	0.0
69.03343	0.1
69.74730	0.4
71.01270	4.8
71.64999	0.1
72.99192	0.2
73.02834	1.1
75.00729	0.1
78.95390	0.1
78.95770	0.3
81.03345	0.1
83.01285	0.5
83.04913	0.2
85.02841	1.2
86.00037	0.0
87.00767	0.7
89.02339	3.4
91.03910	0.2
95.01297	0.3
97.02834	0.1
97.06446	0.1
99.00787	0.4
99.04428	0.1
101.02348	4.7
102.02704	0.1
103.03925	0.1
113.02358	2.2
113.06020	0.1
114.02773	0.1
115.03928	0.2
119.03410	1.0
125.02354	0.2
127.07565	0.3
129.01880	0.1
131.03435	0.2
133.05002	0.4
143.03436	0.4
149.04538	0.1
152.99519	0.7
157.05048	0.1
161.04512	1.8
175.14552	0.1
179.05634	0.4
182.13072	0.1
205.19684	0.1
208.80811	0.1
219.13669	0.1
233.22766	0.4
235.08229	1.3
236.08710	0.1
253.09322	15.3
254.09717	0.9
259.20673	0.4
275.20206	0.3
277.21771	100.0
278.22110	11.2
278.25287	0.1
320.35928	0.1
431.22192	0.1
505.19122	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	515.1631
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01786	1.6
57.03345	2.0
59.01263	26.1
63.10954	1.4
70.74619	4.5
71.01271	25.6
73.02834	26.7
78.29569	1.5
78.95786	5.0
81.03342	5.0
83.04916	8.4
85.02847	10.0
87.00765	4.3
89.02334	26.4
91.50546	1.4
93.02767	3.6
93.03358	66.7
93.31316	1.4
94.03722	2.3
95.01289	1.7
96.95889	3.2
96.96861	6.7
99.00787	8.7
99.04420	8.9
101.02343	12.1
109.02800	2.0
111.04427	28.7
112.04868	1.8
113.02341	8.2
119.03426	10.0
125.37557	1.8
127.03907	1.5
129.01839	2.3
131.03432	1.8
132.94676	1.6
137.02367	19.9
138.02562	1.5
143.03432	7.6
149.04506	1.8
155.03448	12.9
161.04547	3.3
172.06079	1.6
173.04512	100.0
174.04919	3.4
179.05583	10.4
191.05576	19.3
206.92117	1.6
303.81815	1.8
315.11041	1.9
341.10959	56.8
341.46057	1.7
342.11334	5.1
412.63812	1.6
432.99405	1.4
515.14154	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	512.2722
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	1.2
61.02852	0.2
61.98717	100.0
62.98407	0.2
69.71019	1.1
71.01286	0.7
73.02827	0.3
74.70505	0.2
78.95829	0.2
85.02843	0.4
85.05886	0.2
87.00770	0.2
92.77969	0.2
101.02341	0.5
113.02403	0.2
133.02890	0.2
133.26596	0.2
134.03654	0.2
135.04462	0.3
145.02954	0.2
149.06038	0.3
150.03183	0.3
161.02402	0.7
179.03409	0.2
218.74536	0.2
220.82315	0.2
287.22281	1.7
431.26700	0.2
449.27649	12.1
450.28009	1.9
482.53085	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.1625
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	10.8
61.98711	2.9
63.15845	0.4
71.01271	8.7
71.56879	0.4
73.02840	4.4
75.00743	0.5
78.60430	0.4
81.71075	0.4
83.01288	1.2
85.02853	3.3
87.00765	0.7
89.02345	2.9
96.95905	2.2
99.00777	3.6
101.02360	4.5
106.04181	0.5
113.02364	5.5
119.03385	0.5
119.04940	10.2
123.04424	0.8
123.59238	0.4
125.02365	2.0
131.04912	0.8
132.05753	0.9
133.02898	1.2
133.06523	100.0
134.06845	6.0
135.04469	0.7
143.03481	0.4
145.02873	0.7
145.06528	4.6
149.06006	0.5
159.02898	0.6
161.02391	2.0
161.04474	3.9
163.02679	0.8
163.03958	9.3
163.06062	0.9
163.07668	0.6
167.03397	0.6
192.27695	0.4
201.60530	0.5
206.08220	1.1
291.65680	0.4
337.12967	3.1
351.21573	0.5
356.94574	0.4
427.16193	9.7
428.16571	1.6
429.29919	0.5
469.17245	23.5
470.17493	4.0
477.21561	0.7
513.17004	0.6
513.28424	0.7
514.17377	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.2118
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25347	0.8
55.01746	0.9
59.01267	11.8
61.98705	3.1
69.36766	3.6
69.37191	4.5
71.01275	15.4
73.02823	4.4
83.01262	2.4
85.02838	7.2
85.75816	0.8
87.00748	1.3
89.02328	3.4
94.48766	0.8
95.01270	1.0
96.95874	0.9
98.05717	0.8
99.00759	2.0
101.01730	0.9
101.02346	13.5
113.02360	7.6
119.03420	1.1
125.02323	1.2
127.86110	0.9
133.02852	1.6
135.04399	1.4
150.03122	1.1
159.02943	1.3
161.02408	2.1
161.04494	5.5
179.03821	0.8
183.10283	1.2
315.18100	4.2
410.82330	1.0
477.23520	100.0
478.23865	13.2
513.21161	29.7
514.21497	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	513.3078
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63332	0.0
52.94253	0.1
55.01778	0.3
57.03350	0.2
58.00511	0.2
59.01265	6.3
59.98418	0.1
69.03362	0.1
71.01273	4.6
72.01642	0.1
72.99183	0.3
73.02837	1.1
74.82640	0.0
78.15202	0.1
78.95831	0.2
81.03345	0.1
83.01281	0.6
83.01718	0.1
83.04949	0.2
85.02848	1.2
85.03343	0.1
87.00785	0.5
89.02341	3.7
91.03937	0.2
95.01300	0.4
97.02876	0.2
97.06468	0.1
99.00805	0.3
99.04427	0.1
101.02350	4.6
102.02702	0.1
103.03954	0.1
103.26917	0.0
111.04466	0.1
113.02361	2.1
115.03962	0.1
119.03423	0.9
120.69521	0.0
125.02401	0.2
127.07572	0.3
131.03456	0.2
133.04993	0.4
143.03453	0.4
145.05067	0.1
149.04535	0.1
152.99545	0.4
157.05054	0.1
161.04507	1.6
179.05545	0.4
181.63324	0.1
182.13173	0.1
182.34802	0.0
205.19669	0.1
233.22820	0.3
235.08267	1.3
253.09340	15.7
254.09671	0.8
259.20724	0.4
275.20215	0.3
277.21783	100.0
278.22128	10.2
287.70313	0.1
431.22064	0.1
455.79562	0.1
511.05643	0.1
END