Mercurial > repos > computational-metabolomics > metfrag

view test-data/A06_spec_trees_non_merged_pls.msp @ 2:f151ee133612 draft default tip

Find changesets by keywords (author, files, the commit message), revision number or hash, or revset expression.
"planemo upload for repository https://github.com/computational-metabolomics/metfrag-galaxy commit b337c6296968848e3214f4b51df3d86776f84b6a"
author computational-metabolomics
date Tue, 14 Jul 2020 07:41:53 -0400
parents fd5c0b39569a
children
line wrap: on
line source

RECORD_TITLE: 1_2: FTMS + p NSI d Full ms2 137.05@hcd40.00 [50.00-150.00]<#>1_2: FTMS + p NSI d Full ms2 137.05@hcd80.00 [50.00-150.00]
AC$MASS_SPECTROMETRY: ION_MODE NA
MS$FOCUSED_ION: PRECURSOR_M/Z  137.045837402
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
CH$FORMULA: C5H4N4O
AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE hcd
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80.00, 40.00
PK$NUM_PEAK: 7
PK$PEAK: m/z int. rel.int.
55.0290744	22578.4091797	1.72798505995
67.0290744	17079.2054036	1.30711652616
92.0243234	35477.718099	2.71520311056
94.0399734	458944.325358	35.1242167353
110.0348884	1306632.19857	100.0
119.0352224	894649.196291	68.4698568788
120.0192384	35990.6210938	2.75445692623

RECORD_TITLE: 1_1: FTMS + p NSI d Full ms2 137.05@hcd40.00 [50.00-150.00]<#>1_1: FTMS + p NSI d Full ms2 137.05@hcd80.00 [50.00-150.00]
AC$MASS_SPECTROMETRY: ION_MODE NA
MS$FOCUSED_ION: PRECURSOR_M/Z  137.045837402
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
CH$FORMULA: CH15NPS2
AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE hcd
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80.00, 40.00
PK$NUM_PEAK: 2
PK$PEAK: m/z int. rel.int.
110.0347334	1306632.19857	100.0
120.0190834	35990.6210938	2.75445692623

RECORD_TITLE: 3_14: FTMS + p NSI d Full ms2 269.09@hcd40.00 [50.00-280.00]
AC$MASS_SPECTROMETRY: ION_MODE NA
MS$FOCUSED_ION: PRECURSOR_M/Z  269.088043213
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
CH$FORMULA: CH146NO2PS
AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE hcd
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40.00
PK$NUM_PEAK: 1
PK$PEAK: m/z int. rel.int.
235.0829854	5067.24690755	100.0

RECORD_TITLE: 3_11: FTMS + p NSI d Full ms2 269.09@hcd20.00 [50.00-280.00]<#>3_11: FTMS + p NSI d Full ms2 269.09@hcd40.00 [50.00-280.00]<#>3_11: FTMS + p NSI d Full ms2 269.09@hcd80.00 [50.00-280.00]
AC$MASS_SPECTROMETRY: ION_MODE NA
MS$FOCUSED_ION: PRECURSOR_M/Z  269.088043213
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
CH$FORMULA: C2H26N2O4P2S2
AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE hcd
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20.00, 80.00, 40.00
PK$NUM_PEAK: 6
PK$PEAK: m/z int. rel.int.
137.0456324	5325.18063693	14.7467753513
138.0660334	8148.97111005	22.5665671265
156.0765984	36110.8141277	100.0
161.0603304	1948.28767904	5.39530255993
171.0636884	3805.06982422	10.5372030959
235.0827244	5067.24690755	14.0324914571

RECORD_TITLE: 3_10: FTMS + p NSI d Full ms2 269.09@hcd40.00 [50.00-280.00]
AC$MASS_SPECTROMETRY: ION_MODE NA
MS$FOCUSED_ION: PRECURSOR_M/Z  269.088043213
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
CH$FORMULA: C5H143O2S
AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE hcd
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40.00
PK$NUM_PEAK: 1
PK$PEAK: m/z int. rel.int.
235.0826734	5067.24690755	100.0

RECORD_TITLE: 3_13: FTMS + p NSI d Full ms2 269.09@hcd20.00 [50.00-280.00]<#>3_13: FTMS + p NSI d Full ms2 269.09@hcd40.00 [50.00-280.00]<#>3_13: FTMS + p NSI d Full ms2 269.09@hcd80.00 [50.00-280.00]
AC$MASS_SPECTROMETRY: ION_MODE NA
MS$FOCUSED_ION: PRECURSOR_M/Z  269.088043213
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
CH$FORMULA: C6H15N5O5P
AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE hcd
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20.00, 80.00, 40.00
PK$NUM_PEAK: 18
PK$PEAK: m/z int. rel.int.
70.0651254	813.814819336	0.414224977049
82.0525494	2364.79215495	1.20365954617
83.0603744	1929.60078939	0.982150759249
85.0760244	944.649047852	0.480818511618
86.0964254	5916.5789388	3.01148948987
93.0447244	1327.61175537	0.675743345822
95.0603744	4523.99552409	2.30267610962
105.0447244	1210.09474691	0.615928165544
110.0236554	2863.59191895	1.45754447906
110.0712734	196466.863281	100.0
121.0396394	1337.42224121	0.680736801551
137.0458394	5325.18063693	2.71047267106
138.0661884	8148.97111005	4.1477585451
150.0524324	913.132537842	0.464776870049
156.0769094	36110.8141277	18.3801041685
161.0600184	1948.28767904	0.991662230719
166.0614154	959.693511963	0.488476018772
235.0828794	5067.24690755	2.57918654725

RECORD_TITLE: 3_12: FTMS + p NSI d Full ms2 269.09@hcd20.00 [50.00-280.00]<#>3_12: FTMS + p NSI d Full ms2 269.09@hcd40.00 [50.00-280.00]<#>3_12: FTMS + p NSI d Full ms2 269.09@hcd80.00 [50.00-280.00]
AC$MASS_SPECTROMETRY: ION_MODE NA
MS$FOCUSED_ION: PRECURSOR_M/Z  269.088043213
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
CH$FORMULA: C3H20N6O2S3
AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE hcd
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20.00, 80.00, 40.00
PK$NUM_PEAK: 5
PK$PEAK: m/z int. rel.int.
128.9860924	1063.96577962	20.9969200047
156.9810074	1116.32675171	22.030241906
161.0603924	1948.28767904	38.4486431111
174.9915724	1286.18322754	25.3822884696
235.0827864	5067.24690755	100.0

RECORD_TITLE: 6_16: FTMS + p NSI d Full ms2 291.17@hcd20.00 [50.00-305.00]<#>6_16: FTMS + p NSI d Full ms2 291.17@hcd40.00 [50.00-305.00]<#>6_16: FTMS + p NSI d Full ms2 291.17@hcd80.00 [50.00-305.00]
AC$MASS_SPECTROMETRY: ION_MODE NA
MS$FOCUSED_ION: PRECURSOR_M/Z  291.070068359
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
CH$FORMULA: C12H13N5PS
AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE hcd
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20.00, 80.00, 40.00
PK$NUM_PEAK: 8
PK$PEAK: m/z int. rel.int.
70.0651254	1306.6254069	20.3878242079
84.0807754	448.410766602	6.99674124974
86.0964254	461.979431152	7.20845881326
95.0603744	849.053141276	13.2481322467
110.0712734	2479.54288737	38.6893475641
122.0712734	863.803812663	13.4782931586
159.0262984	881.635823568	13.7565335033
160.0310634	6408.85164388	100.0

RECORD_TITLE: 6_17: FTMS + p NSI d Full ms2 291.17@hcd20.00 [50.00-305.00]<#>6_17: FTMS + p NSI d Full ms2 291.17@hcd40.00 [50.00-305.00]<#>6_17: FTMS + p NSI d Full ms2 291.17@hcd80.00 [50.00-305.00]
AC$MASS_SPECTROMETRY: ION_MODE NA
MS$FOCUSED_ION: PRECURSOR_M/Z  291.070068359
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
CH$FORMULA: CH18N5O8P2
AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE hcd
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20.00, 80.00, 40.00
PK$NUM_PEAK: 2
PK$PEAK: m/z int. rel.int.
159.0277704	690313.666665	100.0
160.0243624	1548.72374471	0.224350729168

RECORD_TITLE: 12_25: FTMS + p NSI d Full ms2 353.04@hcd20.00 [50.00-365.00]<#>12_25: FTMS + p NSI d Full ms2 353.04@hcd40.00 [50.00-365.00]<#>12_25: FTMS + p NSI d Full ms2 353.04@hcd80.00 [50.00-365.00]
AC$MASS_SPECTROMETRY: ION_MODE NA
MS$FOCUSED_ION: PRECURSOR_M/Z  353.040466309
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
CH$FORMULA: C3H32N2S8
AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE hcd
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20.00, 80.00, 40.00
PK$NUM_PEAK: 3
PK$PEAK: m/z int. rel.int.
76.0215474	379.493642171	20.1975744173
199.0710864	412.669647217	21.963282077
231.0431584	1878.90701294	100.0

RECORD_TITLE: 6_15: FTMS + p NSI d Full ms2 291.17@hcd20.00 [50.00-305.00]<#>6_15: FTMS + p NSI d Full ms2 291.17@hcd40.00 [50.00-305.00]<#>6_15: FTMS + p NSI d Full ms2 291.17@hcd80.00 [50.00-305.00]
AC$MASS_SPECTROMETRY: ION_MODE NA
MS$FOCUSED_ION: PRECURSOR_M/Z  291.070068359
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
CH$FORMULA: C11H19NO2P3
AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE hcd
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20.00, 80.00, 40.00
PK$NUM_PEAK: 6
PK$PEAK: m/z int. rel.int.
70.0651254	1306.6254069	20.3878242079
84.0443904	529.194803874	8.25724846321
84.0807754	448.410766602	6.99674124974
86.0964254	461.979431152	7.20845881326
160.0310634	6408.85164388	100.0
195.0361264	1296.77543132	20.234130908

RECORD_TITLE: 12_23: FTMS + p NSI d Full ms2 353.04@hcd20.00 [50.00-365.00]<#>12_23: FTMS + p NSI d Full ms2 353.04@hcd40.00 [50.00-365.00]<#>12_23: FTMS + p NSI d Full ms2 353.04@hcd80.00 [50.00-365.00]
AC$MASS_SPECTROMETRY: ION_MODE NA
MS$FOCUSED_ION: PRECURSOR_M/Z  353.040466309
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
CH$FORMULA: C4H135N4O7
AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE hcd
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20.00, 80.00, 40.00
PK$NUM_PEAK: 14
PK$PEAK: m/z int. rel.int.
71.0127564	207.915283203	9.58293444788
124.0227074	796.784576416	36.7242573381
169.0580904	596.368469238	27.486964207
200.0751374	336.69682312	15.5185493585
232.0405714	240.709289551	11.0944289772
235.0137424	866.191558837	39.9232648979
247.0137424	2169.64108785	100.0
249.0293924	1576.70782471	72.6713664089
259.0137424	527.621429443	24.3183737807
263.0086574	671.352722168	30.9430313579
264.0164824	274.728988647	12.662416387
277.0243074	787.013214111	36.2738896547
281.0192224	258.13458252	11.8975707072
307.0348724	2006.81152344	92.4950921457

RECORD_TITLE: 6_13: FTMS + p NSI d Full ms2 291.17@hcd20.00 [50.00-305.00]<#>6_13: FTMS + p NSI d Full ms2 291.17@hcd40.00 [50.00-305.00]<#>6_13: FTMS + p NSI d Full ms2 291.17@hcd80.00 [50.00-305.00]
AC$MASS_SPECTROMETRY: ION_MODE NA
MS$FOCUSED_ION: PRECURSOR_M/Z  291.070068359
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
CH$FORMULA: C5H15N4O8P
AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE hcd
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20.00, 80.00, 40.00
PK$NUM_PEAK: 10
PK$PEAK: m/z int. rel.int.
70.0651254	1306.6254069	0.189279956344
84.0443904	529.194803874	0.0766600502682
84.0807754	448.410766602	0.0649575386169
86.0964254	461.979431152	0.0669231182085
95.0603744	849.053141276	0.122995267554
110.0712734	2479.54288737	0.359190757348
159.0276144	690313.666665	100.0
160.0243624	1548.72374471	0.224350729168
177.0254474	1312.18778483	0.190085731776
195.0360124	1296.77543132	0.187853072297

RECORD_TITLE: 6_10: FTMS + p NSI d Full ms2 291.17@hcd40.00 [50.00-305.00]
AC$MASS_SPECTROMETRY: ION_MODE NA
MS$FOCUSED_ION: PRECURSOR_M/Z  291.070068359
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
CH$FORMULA: CH26NO7P2S2
AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE hcd
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40.00
PK$NUM_PEAK: 1
PK$PEAK: m/z int. rel.int.
159.0273034	1103430.95833	100.0

RECORD_TITLE: 12_20: FTMS + p NSI d Full ms2 353.04@hcd20.00 [50.00-365.00]<#>12_20: FTMS + p NSI d Full ms2 353.04@hcd40.00 [50.00-365.00]<#>12_20: FTMS + p NSI d Full ms2 353.04@hcd80.00 [50.00-365.00]
AC$MASS_SPECTROMETRY: ION_MODE NA
MS$FOCUSED_ION: PRECURSOR_M/Z  353.040466309
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
CH$FORMULA: C11H19N2O3P3S
AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE hcd
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20.00, 80.00, 40.00
PK$NUM_PEAK: 40
PK$PEAK: m/z int. rel.int.
71.0127564	207.915283203	0.216961029292
76.0215474	379.493642171	0.396004228004
86.0964254	371.63130188	0.387799821787
105.0004784	396.980895996	0.414252297751
109.0760244	364.92791748	0.38080479402
122.0270274	4137.30795628	4.31730933322
123.0264544	532.023727417	0.555170421962
125.9977524	231.322723389	0.241386854261
130.0498704	971.771247862	1.01404998673
136.0758464	235.365745544	0.245605775711
139.0324464	289.75042216	0.302356560139
140.0132464	548.998168945	0.572883368547
147.9821024	247.580780029	0.258352248283
149.9977524	1465.71541341	1.52948412374
165.9926674	587.422119141	0.612979025083
168.0081614	682.549377441	0.712244973966
177.0083394	907.049053192	0.946511931048
179.0023814	422.887283325	0.441285791266
184.0030764	274.209452311	0.286139451119
185.0379264	330.458770752	0.344836002127
193.0032544	95830.7046577	100.0
194.0003144	438.198239645	0.457262879585
195.0189044	1151.08917236	1.20116947535
196.0288524	1119.2911377	1.16798800728
211.0138194	18398.1219075	19.1985668615
212.0167744	215.332168579	0.224700600239
222.0011244	4704.14200846	4.90880456871
223.0201204	6413.97005208	6.69302190252
224.9925484	242.34072113	0.25288421075
229.0241604	266.182261149	0.277763021883
233.0393909	530.847488403	0.553943008453
233.0954414	426.534858704	0.445092061283
239.0085104	25619.9534506	26.734597791
240.0116894	463.496749878	0.483662049166
241.0306854	449.311477661	0.468859619958
263.0085104	671.352722168	0.700561187112
264.0163354	274.728988647	0.286681590862
277.0241604	787.013214111	0.821253706651
281.0190754	258.13458252	0.269365213834
307.0347254	2006.81152344	2.09412163941

RECORD_TITLE: 6_18: FTMS + p NSI d Full ms2 291.17@hcd80.00 [50.00-305.00]
AC$MASS_SPECTROMETRY: ION_MODE NA
MS$FOCUSED_ION: PRECURSOR_M/Z  291.070068359
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
CH$FORMULA: C2H12N9O6S
AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE hcd
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80.00
PK$NUM_PEAK: 1
PK$PEAK: m/z int. rel.int.
159.0261154	881.635823568	100.0

RECORD_TITLE: 12_28: FTMS + p NSI d Full ms2 353.04@hcd20.00 [50.00-365.00]<#>12_28: FTMS + p NSI d Full ms2 353.04@hcd40.00 [50.00-365.00]<#>12_28: FTMS + p NSI d Full ms2 353.04@hcd80.00 [50.00-365.00]
AC$MASS_SPECTROMETRY: ION_MODE NA
MS$FOCUSED_ION: PRECURSOR_M/Z  353.040466309
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
CH$FORMULA: C4H27N4P3S4
AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE hcd
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20.00, 80.00, 40.00
PK$NUM_PEAK: 19
PK$PEAK: m/z int. rel.int.
76.0215474	379.493642171	2.06267598442
123.0266104	532.023727417	2.8917284606
137.0456324	310.089518229	1.6854411542
139.0327584	289.75042216	1.57489130475
174.9928464	8288.38403321	45.050163679
176.0006714	234.601882935	1.27514038723
177.0084964	907.049053192	4.93011763782
184.0031394	274.209452311	1.49042089018
186.0411934	311.495994568	1.69308582764
194.0003774	438.198239645	2.38175527832
194.0066774	1652.79308065	8.98348803729
196.0286034	720.052612305	3.91372888996
199.0711104	412.669647217	2.24299876526
211.0140384	18398.1219075	100.0
212.0169314	248.35995992	1.34992017755
222.0012814	4704.14200846	25.5685989695
231.0431824	1878.90701294	10.212493549
233.0956604	426.534858704	2.31836086774
241.0309044	449.311477661	2.44215947649

RECORD_TITLE: 5_3: FTMS + p NSI d Full ms2 291.07@hcd40.00 [50.00-305.00]<#>5_3: FTMS + p NSI d Full ms2 291.07@hcd80.00 [50.00-305.00]
AC$MASS_SPECTROMETRY: ION_MODE NA
MS$FOCUSED_ION: PRECURSOR_M/Z  291.070037842
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
CH$FORMULA: C4H17N7O2PS2
AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE hcd
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80.00, 40.00
PK$NUM_PEAK: 3
PK$PEAK: m/z int. rel.int.
70.0651254	1239.52301025	100.0
83.0603744	603.151855469	48.6599966664
159.1226944	833.754302979	67.2641246739

RECORD_TITLE: 4_9: FTMS + p NSI d Full ms2 269.16@hcd40.00 [50.00-280.00]
AC$MASS_SPECTROMETRY: ION_MODE NA
MS$FOCUSED_ION: PRECURSOR_M/Z  269.08807373
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
CH$FORMULA: C5H143O2S
AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE hcd
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40.00
PK$NUM_PEAK: 1
PK$PEAK: m/z int. rel.int.
235.0826734	5694.4695638	100.0

RECORD_TITLE: 5_7: FTMS + p NSI d Full ms2 291.07@hcd40.00 [50.00-305.00]
AC$MASS_SPECTROMETRY: ION_MODE NA
MS$FOCUSED_ION: PRECURSOR_M/Z  291.070037842
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
CH$FORMULA: C2H143N2O2P2
AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE hcd
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40.00
PK$NUM_PEAK: 1
PK$PEAK: m/z int. rel.int.
160.0306744	7423.31429036	100.0

RECORD_TITLE: 5_6: FTMS + p NSI d Full ms2 291.07@hcd20.00 [50.00-305.00]<#>5_6: FTMS + p NSI d Full ms2 291.07@hcd40.00 [50.00-305.00]<#>5_6: FTMS + p NSI d Full ms2 291.07@hcd80.00 [50.00-305.00]
AC$MASS_SPECTROMETRY: ION_MODE NA
MS$FOCUSED_ION: PRECURSOR_M/Z  291.070037842
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
CH$FORMULA: C9H12N3O8
AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE hcd
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20.00, 80.00, 40.00
PK$NUM_PEAK: 8
PK$PEAK: m/z int. rel.int.
70.0651254	1239.52301025	0.183525298898
83.0603744	603.151855469	0.0893034043255
86.0964254	404.994552612	0.0599639907489
93.0447244	458.628860474	0.0679051522281
95.0603744	801.591166178	0.118684572331
110.0712734	2591.87412516	0.383756065511
122.0712734	901.27532959	0.133443931967
159.0274584	675396.262913	100.0

RECORD_TITLE: 5_5: FTMS + p NSI d Full ms2 291.07@hcd80.00 [50.00-305.00]
AC$MASS_SPECTROMETRY: ION_MODE NA
MS$FOCUSED_ION: PRECURSOR_M/Z  291.070037842
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
CH$FORMULA: C8H6N10O3
AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE hcd
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80.00
PK$NUM_PEAK: 3
PK$PEAK: m/z int. rel.int.
83.0603744	603.151855469	75.244324154
93.0447244	458.628860474	57.2148097216
95.0603744	801.591166178	100.0

RECORD_TITLE: 5_4: FTMS + p NSI d Full ms2 291.07@hcd40.00 [50.00-305.00]
AC$MASS_SPECTROMETRY: ION_MODE NA
MS$FOCUSED_ION: PRECURSOR_M/Z  291.070037842
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
CH$FORMULA: C5H23O7PS2
AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE hcd
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40.00
PK$NUM_PEAK: 2
PK$PEAK: m/z int. rel.int.
159.0273034	1074894.97917	100.0
159.1227014	833.754302979	0.0775661175404

RECORD_TITLE: 4_2: FTMS + p NSI d Full ms2 269.16@hcd80.00 [50.00-280.00]
AC$MASS_SPECTROMETRY: ION_MODE NA
MS$FOCUSED_ION: PRECURSOR_M/Z  269.08807373
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
CH$FORMULA: H34NP4S3
AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE hcd
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80.00
PK$NUM_PEAK: 1
PK$PEAK: m/z int. rel.int.
110.0347334	933.602274577	100.0

RECORD_TITLE: 5_9: FTMS + p NSI d Full ms2 291.07@hcd20.00 [50.00-305.00]<#>5_9: FTMS + p NSI d Full ms2 291.07@hcd40.00 [50.00-305.00]<#>5_9: FTMS + p NSI d Full ms2 291.07@hcd80.00 [50.00-305.00]
AC$MASS_SPECTROMETRY: ION_MODE NA
MS$FOCUSED_ION: PRECURSOR_M/Z  291.070037842
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
CH$FORMULA: C15H16O2P2
AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE hcd
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20.00, 80.00, 40.00
PK$NUM_PEAK: 2
PK$PEAK: m/z int. rel.int.
160.0307514	6743.0345052	100.0
195.0358144	1140.4095459	16.9124085754

RECORD_TITLE: 5_8: FTMS + p NSI d Full ms2 291.07@hcd40.00 [50.00-305.00]
AC$MASS_SPECTROMETRY: ION_MODE NA
MS$FOCUSED_ION: PRECURSOR_M/Z  291.070037842
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
CH$FORMULA: C3H137N6S
AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE hcd
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40.00
PK$NUM_PEAK: 1
PK$PEAK: m/z int. rel.int.
160.0306744	7423.31429036	100.0

RECORD_TITLE: 4_6: FTMS + p NSI d Full ms2 269.16@hcd20.00 [50.00-280.00]<#>4_6: FTMS + p NSI d Full ms2 269.16@hcd40.00 [50.00-280.00]<#>4_6: FTMS + p NSI d Full ms2 269.16@hcd80.00 [50.00-280.00]
AC$MASS_SPECTROMETRY: ION_MODE NA
MS$FOCUSED_ION: PRECURSOR_M/Z  269.08807373
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
CH$FORMULA: C6H23NO4PS2
AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE hcd
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20.00, 80.00, 40.00
PK$NUM_PEAK: 8
PK$PEAK: m/z int. rel.int.
86.0964254	4810.04223633	12.4243567543
110.0236554	2448.12654623	6.32351985608
110.0347334	933.602274577	2.41149810253
137.0456324	5419.28781467	13.9980403197
138.0660334	7880.52775066	20.3554321097
156.0765984	38714.6178386	100.0
161.0600184	1565.04423014	4.0425149918
166.0609484	1693.62827047	4.37464804

RECORD_TITLE: 4_7: FTMS + p NSI d Full ms2 269.16@hcd20.00 [50.00-280.00]<#>4_7: FTMS + p NSI d Full ms2 269.16@hcd40.00 [50.00-280.00]<#>4_7: FTMS + p NSI d Full ms2 269.16@hcd80.00 [50.00-280.00]
AC$MASS_SPECTROMETRY: ION_MODE NA
MS$FOCUSED_ION: PRECURSOR_M/Z  269.08807373
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
CH$FORMULA: C10H12N4O5
AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE hcd
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20.00, 80.00, 40.00
PK$NUM_PEAK: 15
PK$PEAK: m/z int. rel.int.
83.0603744	1864.35213216	0.941755945593
86.0964254	4810.04223633	2.42973727789
93.0447244	1250.13537598	0.631491445643
105.0447244	1015.75085449	0.513094811841
110.0236554	2448.12654623	1.23664284804
110.0348884	933.602274577	0.471598405545
110.0712734	197965.528212	100.0
111.0552894	824.668609619	0.416571822917
120.0807754	1197.83569336	0.605072865048
121.0396394	1162.95054626	0.587451035929
137.0457874	5419.28781467	2.73749064477
138.0661884	7880.52775066	3.98075757019
150.0522764	919.167175293	0.464306681873
156.0767534	38714.6178386	19.5562420328
166.0611034	1693.62827047	0.855516758784

RECORD_TITLE: 4_4: FTMS + p NSI d Full ms2 269.16@hcd20.00 [50.00-280.00]<#>4_4: FTMS + p NSI d Full ms2 269.16@hcd40.00 [50.00-280.00]
AC$MASS_SPECTROMETRY: ION_MODE NA
MS$FOCUSED_ION: PRECURSOR_M/Z  269.08807373
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
CH$FORMULA: C3H28N2OS5
AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE hcd
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20.00, 40.00
PK$NUM_PEAK: 2
PK$PEAK: m/z int. rel.int.
128.9860924	992.243835447	83.7525341735
156.9810074	1184.73291016	100.0

RECORD_TITLE: 4_5: FTMS + p NSI d Full ms2 269.16@hcd40.00 [50.00-280.00]<#>4_5: FTMS + p NSI d Full ms2 269.16@hcd80.00 [50.00-280.00]
AC$MASS_SPECTROMETRY: ION_MODE NA
MS$FOCUSED_ION: PRECURSOR_M/Z  269.08807373
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
CH$FORMULA: C4H23N4OP3S
AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE hcd
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80.00, 40.00
PK$NUM_PEAK: 2
PK$PEAK: m/z int. rel.int.
83.0603744	1864.35213216	100.0
110.0348884	933.602274577	50.0764988798

RECORD_TITLE: 12_30: FTMS + p NSI d Full ms2 353.04@hcd20.00 [50.00-365.00]<#>12_30: FTMS + p NSI d Full ms2 353.04@hcd40.00 [50.00-365.00]<#>12_30: FTMS + p NSI d Full ms2 353.04@hcd80.00 [50.00-365.00]
AC$MASS_SPECTROMETRY: ION_MODE NA
MS$FOCUSED_ION: PRECURSOR_M/Z  353.040466309
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
CH$FORMULA: C5H22N6P6
AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE hcd
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20.00, 80.00, 40.00
PK$NUM_PEAK: 4
PK$PEAK: m/z int. rel.int.
86.0964254	371.63130188	36.7305253511
110.0712734	717.586954752	70.9233740532
224.0200154	1011.77780151	100.0
233.0956844	426.534858704	42.1569694519

RECORD_TITLE: 12_31: FTMS + p NSI d Full ms2 353.04@hcd20.00 [50.00-365.00]<#>12_31: FTMS + p NSI d Full ms2 353.04@hcd40.00 [50.00-365.00]<#>12_31: FTMS + p NSI d Full ms2 353.04@hcd80.00 [50.00-365.00]
AC$MASS_SPECTROMETRY: ION_MODE NA
MS$FOCUSED_ION: PRECURSOR_M/Z  353.040466309
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
CH$FORMULA: C2H12N10O7S2
AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE hcd
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20.00, 80.00, 40.00
PK$NUM_PEAK: 13
PK$PEAK: m/z int. rel.int.
76.0215474	379.493642171	18.9102782069
124.0227074	796.784576416	39.7040064356
179.0029024	316.335632324	15.7630962663
179.9947794	230.910499573	11.5063371361
196.0247364	337.682826996	16.8268331655
197.0213284	464.43107605	23.142735161
224.0196514	1011.77780151	50.4171811698
231.0432234	1878.90701294	93.6264811615
232.0406844	240.709289551	11.9946136814
233.0952584	426.534858704	21.2543556643
259.0138554	527.621429443	26.2915287898
277.0244204	787.013214111	39.2170966191
307.0349854	2006.81152344	100.0

RECORD_TITLE: 12_32: FTMS + p NSI d Full ms2 353.04@hcd20.00 [50.00-365.00]<#>12_32: FTMS + p NSI d Full ms2 353.04@hcd40.00 [50.00-365.00]<#>12_32: FTMS + p NSI d Full ms2 353.04@hcd80.00 [50.00-365.00]
AC$MASS_SPECTROMETRY: ION_MODE NA
MS$FOCUSED_ION: PRECURSOR_M/Z  353.040466309
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
CH$FORMULA: C10H139NOP2
AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE hcd
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20.00, 80.00, 40.00
PK$NUM_PEAK: 5
PK$PEAK: m/z int. rel.int.
86.0964254	371.63130188	67.6926304862
136.0756904	235.365745544	42.8718634884
140.0130904	548.998168945	100.0
200.0745504	424.174110412	77.2633014838
240.0119504	360.467781067	65.6591955051

RECORD_TITLE: 12_33: FTMS + p NSI d Full ms2 353.04@hcd20.00 [50.00-365.00]<#>12_33: FTMS + p NSI d Full ms2 353.04@hcd40.00 [50.00-365.00]<#>12_33: FTMS + p NSI d Full ms2 353.04@hcd80.00 [50.00-365.00]
AC$MASS_SPECTROMETRY: ION_MODE NA
MS$FOCUSED_ION: PRECURSOR_M/Z  353.040466309
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
CH$FORMULA: C3H18N3O12S2
AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE hcd
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20.00, 80.00, 40.00
PK$NUM_PEAK: 19
PK$PEAK: m/z int. rel.int.
71.0127564	207.915283203	5.02537605129
76.0215474	379.493642171	9.17247751874
105.0004784	396.980895996	9.59514979767
110.0793604	240.905975342	5.82277118087
122.0270274	4137.30795628	100.0
179.0029024	316.335632324	7.645929084
185.0377504	330.458770752	7.98728966381
196.0247434	337.682826996	8.16189731498
224.0196584	1011.77780151	24.4549792329
231.0432304	1878.90701294	45.4137577573
233.0952654	426.534858704	10.3094781247
247.0138624	2169.64108785	52.4408893604
249.0295124	1576.70782471	38.1095108551
259.0138624	527.621429443	12.7527714886
263.0087774	671.352722168	16.2268008391
264.0166024	274.728988647	6.64028376785
277.0244274	787.013214111	19.0223503405
281.0193424	258.13458252	6.23919189114
307.0349924	2006.81152344	48.5052489359

RECORD_TITLE: 12_34: FTMS + p NSI d Full ms2 353.04@hcd20.00 [50.00-365.00]<#>12_34: FTMS + p NSI d Full ms2 353.04@hcd40.00 [50.00-365.00]<#>12_34: FTMS + p NSI d Full ms2 353.04@hcd80.00 [50.00-365.00]
AC$MASS_SPECTROMETRY: ION_MODE NA
MS$FOCUSED_ION: PRECURSOR_M/Z  353.040466309
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
CH$FORMULA: C6H27NO3PS5
AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE hcd
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20.00, 80.00, 40.00
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
71.0127564	207.915283203	0.811536537739
76.0215474	379.493642171	1.48124251242
86.0964254	371.63130188	1.45055416512
105.0004784	396.980895996	1.54949889648
110.0793604	240.905975342	0.940306061863
122.0270274	4137.30795628	16.1487723398
123.0266104	532.023727417	2.07659911812
130.0498704	971.771247862	3.79302503316
137.0456324	310.089518229	1.2103438003
156.0765984	1264.3899231	4.93517650428
177.9990994	624.539642334	2.43770795111
186.0412624	311.495994568	1.2158335696
194.0067464	1652.79308065	6.45119470588
196.0289844	1119.2911377	4.36882580547
197.0218234	367.898071289	1.43598259068
199.0710864	412.669647217	1.61073535131
229.0242924	266.182261149	1.03896465566
233.0394884	530.847488403	2.07200801292
239.0086424	25619.9534506	100.0
263.0087984	671.352722168	2.62042912554
264.0166234	274.728988647	1.07232430838
277.0244484	787.013214111	3.07187605017
281.0193634	258.13458252	1.00755289434
307.0350134	2006.81152344	7.8330022235

RECORD_TITLE: 12_35: FTMS + p NSI d Full ms2 353.04@hcd20.00 [50.00-365.00]<#>12_35: FTMS + p NSI d Full ms2 353.04@hcd40.00 [50.00-365.00]<#>12_35: FTMS + p NSI d Full ms2 353.04@hcd80.00 [50.00-365.00]
AC$MASS_SPECTROMETRY: ION_MODE NA
MS$FOCUSED_ION: PRECURSOR_M/Z  353.040466309
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
CH$FORMULA: C7H22N3O3P4S
AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE hcd
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20.00, 80.00, 40.00
PK$NUM_PEAK: 51
PK$PEAK: m/z int. rel.int.
71.0127564	207.915283203	0.216961029292
76.0215474	379.493642171	0.396004228004
86.0964254	371.63130188	0.387799821787
105.0004784	396.980895996	0.414252297751
109.0760244	364.92791748	0.38080479402
110.0712734	717.586954752	0.748806927086
122.0270274	4137.30795628	4.31730933322
123.0264544	532.023727417	0.555170421962
125.9977524	231.322723389	0.241386854261
130.0498704	971.771247862	1.01404998673
136.0760024	235.365745544	0.245605775711
139.0326024	289.75042216	0.302356560139
140.0134024	548.998168945	0.572883368547
147.9821024	247.580780029	0.258352248283
149.9977524	1465.71541341	1.52948412374
156.0767534	1264.3899231	1.3193995887
165.9926674	587.422119141	0.612979025083
168.0083174	682.549377441	0.712244973966
174.9930014	8288.38403321	8.64898579512
176.0008264	234.601882935	0.24480867982
177.0086514	907.049053192	0.946511931048
177.9989684	624.539642334	0.651711416048
179.0023814	422.887283325	0.441285791266
184.0032324	274.209452311	0.286139451119
185.0380824	330.458770752	0.344836002127
193.0035664	95830.7046577	100.0
194.0004704	438.198239645	0.457262879585
194.0065214	1652.79308065	1.72470095733
195.0192164	1151.08917236	1.20116947535
195.0255174	1516.69664001	1.58268338465
196.0288524	1119.2911377	1.16798800728
199.0711104	412.669647217	0.43062361765
200.0746014	424.174110412	0.442628604191
211.0141314	18398.1219075	19.1985668615
212.0170864	248.35995992	0.259165327863
221.9948494	932.389709473	0.972955080319
222.0014364	4704.14200846	4.90880456871
223.0202764	6413.97005208	6.69302190252
224.0170864	523.004806519	0.545759115919
224.0197034	1011.77780151	1.05579710086
229.0243164	266.182261149	0.277763021883
233.0395124	530.847488403	0.553943008453
233.0957534	426.534858704	0.445092061283
239.0086664	25619.9534506	26.734597791
240.0120014	360.467781067	0.37615061097
241.0308414	449.311477661	0.468859619958
263.0088224	671.352722168	0.700561187112
264.0166474	274.728988647	0.286681590862
277.0244724	787.013214111	0.821253706651
281.0193874	258.13458252	0.269365213834
307.0350374	2006.81152344	2.09412163941

RECORD_TITLE: 12_36: FTMS + p NSI d Full ms2 353.04@hcd20.00 [50.00-365.00]<#>12_36: FTMS + p NSI d Full ms2 353.04@hcd40.00 [50.00-365.00]<#>12_36: FTMS + p NSI d Full ms2 353.04@hcd80.00 [50.00-365.00]
AC$MASS_SPECTROMETRY: ION_MODE NA
MS$FOCUSED_ION: PRECURSOR_M/Z  353.040466309
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
CH$FORMULA: C8H16N7OP2S2
AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE hcd
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20.00, 80.00, 40.00
PK$NUM_PEAK: 37
PK$PEAK: m/z int. rel.int.
76.0215474	379.493642171	0.396004228004
86.0964254	371.63130188	0.387799821787
109.0760244	364.92791748	0.38080479402
110.0712734	717.586954752	0.748806927086
123.0264544	532.023727417	0.555170421962
123.0304494	2251.09712728	2.34903534866
125.9977524	231.322723389	0.241386854261
136.0758464	235.365745544	0.245605775711
137.045735733	310.089518229	0.323580546899
139.0326024	289.75042216	0.302356560139
140.0134024	548.998168945	0.572883368547
147.9821024	247.580780029	0.258352248283
149.9977524	1465.71541341	1.52948412374
174.9929239	8288.38403321	8.64898579512
176.0007489	234.601882935	0.24480867982
177.0085739	907.049053192	0.946511931048
179.0024434	422.887283325	0.441285791266
179.9947104	230.910499573	0.240956695871
186.0413484	311.495994568	0.325048214641
193.0034114	95830.7046577	100.0
194.0005324	438.198239645	0.457262879585
194.0065214	1652.79308065	1.72470095733
195.0190614	1151.08917236	1.20116947535
196.0252314	337.682826996	0.352374354548
196.0289144	1119.2911377	1.16798800728
197.0218234	367.898071289	0.383904169966
200.0746634	424.174110412	0.442628604191
212.0170084	248.35995992	0.259165327863
222.0014364	4704.14200846	4.90880456871
223.0126334	272.505996704	0.284361883467
223.0203384	6413.97005208	6.69302190252
224.0170864	523.004806519	0.545759115919
224.0201464	1011.77780151	1.05579710086
231.0433374	1878.90701294	1.96065240222
233.0953724	426.534858704	0.445092061283
240.0120634	360.467781067	0.37615061097
241.0309034	449.311477661	0.468859619958

RECORD_TITLE: 12_37: FTMS + p NSI d Full ms2 353.04@hcd20.00 [50.00-365.00]<#>12_37: FTMS + p NSI d Full ms2 353.04@hcd40.00 [50.00-365.00]<#>12_37: FTMS + p NSI d Full ms2 353.04@hcd80.00 [50.00-365.00]
AC$MASS_SPECTROMETRY: ION_MODE NA
MS$FOCUSED_ION: PRECURSOR_M/Z  353.040466309
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
CH$FORMULA: C9H22O6P2S2
AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE hcd
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20.00, 80.00, 40.00
PK$NUM_PEAK: 34
PK$PEAK: m/z int. rel.int.
71.0127564	207.915283203	0.0949292619074
105.0004784	396.980895996	0.181252204589
110.0793604	240.905975342	0.109992041354
123.0262984	532.023727417	0.242909607138
156.0765984	1264.3899231	0.577290905767
174.9928464	8288.38403321	3.78428255276
176.0006714	234.601882935	0.10711374001
177.0084964	907.049053192	0.414137411194
179.0021474	529.438934326	0.241729450988
179.9947174	230.910499573	0.105428340589
186.0416674	311.495994568	0.142221795319
193.0034114	95830.7046577	43.7540613709
194.0065904	1652.79308065	0.754626715337
195.0190614	1151.08917236	0.525560429413
197.0218234	367.898071289	0.167973666133
200.0746704	424.174110412	0.193667991123
211.0139764	18398.1219075	8.40015272692
212.0171554	248.35995992	0.113395356606
220.9983264	219021.278608	100.0
222.0015054	4704.14200846	2.14780136357
224.0171554	523.004806519	0.238791778517
229.0245414	266.182261149	0.12153260306
233.0395814	530.847488403	0.242372563879
235.0139764	866.191558837	0.395482833605
239.0088914	25619.9534506	11.6974723248
240.0120704	360.467781067	0.164581169171
247.0139764	2169.64108785	0.990607443093
249.0296264	1576.70782471	0.719887964644
259.0139764	527.621429443	0.240899620711
263.0088914	671.352722168	0.30652397175
264.0167164	274.728988647	0.125434839205
277.0245414	787.013214111	0.359331850819
281.0194564	258.13458252	0.117858220973
307.0351064	2006.81152344	0.916263267291

RECORD_TITLE: 12_38: FTMS + p NSI d Full ms2 353.04@hcd20.00 [50.00-365.00]<#>12_38: FTMS + p NSI d Full ms2 353.04@hcd40.00 [50.00-365.00]<#>12_38: FTMS + p NSI d Full ms2 353.04@hcd80.00 [50.00-365.00]
AC$MASS_SPECTROMETRY: ION_MODE NA
MS$FOCUSED_ION: PRECURSOR_M/Z  353.040466309
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
CH$FORMULA: C10H16N4O4S3
AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE hcd
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20.00, 80.00, 40.00
PK$NUM_PEAK: 52
PK$PEAK: m/z int. rel.int.
71.0127564	207.915283203	0.0949292619074
76.0215474	379.493642171	0.173267932953
86.0964254	371.63130188	0.169678172021
105.0004784	396.980895996	0.181252204589
109.0760244	364.92791748	0.166617563279
110.0712734	717.586954752	0.327633442427
122.0270274	4137.30795628	1.88899817523
123.0262984	532.023727417	0.242909607138
124.0227074	796.784576416	0.363793226612
130.0498704	971.771247862	0.443688053525
136.0756904	235.365745544	0.107462501835
137.0457874	310.089518229	0.141579631075
139.0324464	289.75042216	0.132293274882
140.0130904	548.998168945	0.250659740658
156.0767534	1264.3899231	0.577290905767
168.0080054	682.549377441	0.311636103021
177.9990994	624.539642334	0.285150212939
179.0025559	422.887283325	0.193080455932
179.9947794	230.910499573	0.105428340589
184.0030299	274.209452311	0.125197631049
185.0379264	330.458770752	0.150879756
194.0000654	438.198239645	0.20007108096
194.0065904	1652.79308065	0.754626715337
195.0078904	319.455037435	0.145855708388
195.0256484	1516.69664001	0.69248825943
196.0249194	337.682826996	0.154178091344
199.0713344	412.669647217	0.188415321944
211.0140384	18398.1219075	8.40015272692
212.0171554	248.35995992	0.113395356606
220.9983884	219021.278608	100.0
221.9949804	932.389709473	0.425707362955
222.0015054	4704.14200846	2.14780136357
223.0127024	272.505996704	0.124419873008
223.0205634	6413.97005208	2.9284689108
224.0171554	523.004806519	0.238791778517
224.0198344	1011.77780151	0.461954111463
225.0157764	2299.60510254	1.04994597655
229.0246034	266.182261149	0.12153260306
231.0434064	1878.90701294	0.85786505534
232.0408674	240.709289551	0.109902239216
233.0954414	426.534858704	0.194745853651
235.0140384	866.191558837	0.395482833605
239.0089534	25619.9534506	11.6974723248
241.0311284	449.311477661	0.20514512586
247.0140384	2169.64108785	0.990607443093
249.0296884	1576.70782471	0.719887964644
259.0140384	527.621429443	0.240899620711
263.0089534	671.352722168	0.30652397175
264.0167784	274.728988647	0.125434839205
277.0246034	787.013214111	0.359331850819
281.0195184	258.13458252	0.117858220973
307.0351684	2006.81152344	0.916263267291

RECORD_TITLE: 12_39: FTMS + p NSI d Full ms2 353.04@hcd20.00 [50.00-365.00]<#>12_39: FTMS + p NSI d Full ms2 353.04@hcd40.00 [50.00-365.00]
AC$MASS_SPECTROMETRY: ION_MODE NA
MS$FOCUSED_ION: PRECURSOR_M/Z  353.040466309
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
CH$FORMULA: H138N5O7P
AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE hcd
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20.00, 40.00
PK$NUM_PEAK: 5
PK$PEAK: m/z int. rel.int.
123.0304494	2251.09712728	100.0
124.0227074	796.784576416	35.3953886201
169.0584024	596.368469238	26.4923473097
232.0408834	240.709289551	10.6929766217
235.0137424	866.191558837	38.4786399636

RECORD_TITLE: 8_4: FTMS + p NSI d Full ms2 215.14@hcd20.00 [50.00-230.00]<#>8_4: FTMS + p NSI d Full ms2 215.14@hcd40.00 [50.00-230.00]
AC$MASS_SPECTROMETRY: ION_MODE NA
MS$FOCUSED_ION: PRECURSOR_M/Z  215.139022827
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
CH$FORMULA: C6H21N3O3P
AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE hcd
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20.00, 40.00
PK$NUM_PEAK: 7
PK$PEAK: m/z int. rel.int.
98.0964254	645.535736084	0.230217554427
111.0440564	615.450286865	0.21948817392
116.0706054	280402.481771	100.0
129.1022394	527.823242188	0.188237721312
130.0862554	807.947723389	0.288138577907
147.1128044	843.375335693	0.300773135233
169.1338514	442.978881836	0.15797965804

RECORD_TITLE: 8_2: FTMS + p NSI d Full ms2 215.14@hcd20.00 [50.00-230.00]<#>8_2: FTMS + p NSI d Full ms2 215.14@hcd40.00 [50.00-230.00]
AC$MASS_SPECTROMETRY: ION_MODE NA
MS$FOCUSED_ION: PRECURSOR_M/Z  215.139022827
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
CH$FORMULA: C2H32O2P2S2
AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE hcd
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20.00, 40.00
PK$NUM_PEAK: 1
PK$PEAK: m/z int. rel.int.
169.1336964	844.100585938	100.0

RECORD_TITLE: 8_1: FTMS + p NSI d Full ms2 215.14@hcd20.00 [50.00-230.00]<#>8_1: FTMS + p NSI d Full ms2 215.14@hcd40.00 [50.00-230.00]
AC$MASS_SPECTROMETRY: ION_MODE NA
MS$FOCUSED_ION: PRECURSOR_M/Z  215.139022827
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
CH$FORMULA: C10H18N2O3
AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE hcd
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20.00, 40.00
PK$NUM_PEAK: 10
PK$PEAK: m/z int. rel.int.
98.0964254	645.535736084	0.230217554427
111.0440564	615.450286865	0.21948817392
116.0706054	280402.481771	100.0
129.1022394	527.823242188	0.188237721312
130.0862554	807.947723389	0.288138577907
147.1128044	843.375335693	0.300773135233
152.1069904	2030.26434326	0.724053628356
159.1128044	1122.55491638	0.400337011747
169.1335394	844.100585938	0.301031781391
193.0733454	470.239852905	0.16770174427

RECORD_TITLE: 4_14: FTMS + p NSI d Full ms2 269.16@hcd40.00 [50.00-280.00]<#>4_14: FTMS + p NSI d Full ms2 269.16@hcd80.00 [50.00-280.00]
AC$MASS_SPECTROMETRY: ION_MODE NA
MS$FOCUSED_ION: PRECURSOR_M/Z  269.08807373
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
CH$FORMULA: H29O7PS3
AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE hcd
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80.00, 40.00
PK$NUM_PEAK: 2
PK$PEAK: m/z int. rel.int.
110.0347334	933.602274577	16.3948944518
235.0831054	5694.4695638	100.0

RECORD_TITLE: 4_10: FTMS + p NSI d Full ms2 269.16@hcd20.00 [50.00-280.00]<#>4_10: FTMS + p NSI d Full ms2 269.16@hcd40.00 [50.00-280.00]<#>4_10: FTMS + p NSI d Full ms2 269.16@hcd80.00 [50.00-280.00]
AC$MASS_SPECTROMETRY: ION_MODE NA
MS$FOCUSED_ION: PRECURSOR_M/Z  269.08807373
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
CH$FORMULA: C2H26N2O4P2S2
AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE hcd
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20.00, 80.00, 40.00
PK$NUM_PEAK: 7
PK$PEAK: m/z int. rel.int.
110.0347334	933.602274577	2.41149810253
137.0456324	5419.28781467	13.9980403197
138.0660334	7880.52775066	20.3554321097
156.0765984	38714.6178386	100.0
161.0603304	1565.04423014	4.0425149918
175.1187974	727.628845215	1.87946797835
235.0827244	5694.4695638	14.7088357879

RECORD_TITLE: 4_11: FTMS + p NSI d Full ms2 269.16@hcd20.00 [50.00-280.00]<#>4_11: FTMS + p NSI d Full ms2 269.16@hcd40.00 [50.00-280.00]<#>4_11: FTMS + p NSI d Full ms2 269.16@hcd80.00 [50.00-280.00]
AC$MASS_SPECTROMETRY: ION_MODE NA
MS$FOCUSED_ION: PRECURSOR_M/Z  269.08807373
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
CH$FORMULA: C3H20N6O2S3
AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE hcd
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20.00, 80.00, 40.00
PK$NUM_PEAK: 5
PK$PEAK: m/z int. rel.int.
128.9860924	992.243835447	17.4246929293
156.9810074	1184.73291016	20.8049739644
161.0603924	1565.04423014	27.483582318
174.9915724	1486.68695068	26.1075581145
235.0827864	5694.4695638	100.0

RECORD_TITLE: 4_12: FTMS + p NSI d Full ms2 269.16@hcd20.00 [50.00-280.00]<#>4_12: FTMS + p NSI d Full ms2 269.16@hcd40.00 [50.00-280.00]<#>4_12: FTMS + p NSI d Full ms2 269.16@hcd80.00 [50.00-280.00]
AC$MASS_SPECTROMETRY: ION_MODE NA
MS$FOCUSED_ION: PRECURSOR_M/Z  269.08807373
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
CH$FORMULA: C6H15N5O5P
AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE hcd
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20.00, 80.00, 40.00
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
83.0603744	1864.35213216	0.941755945593
86.0964254	4810.04223633	2.42973727789
93.0447244	1250.13537598	0.631491445643
105.0447244	1015.75085449	0.513094811841
110.0236554	2448.12654623	1.23664284804
110.0348884	933.602274577	0.471598405545
110.0712734	197965.528212	100.0
111.0552894	824.668609619	0.416571822917
121.0396394	1162.95054626	0.587451035929
137.0457874	5419.28781467	2.73749064477
138.0661884	7880.52775066	3.98075757019
150.0524324	919.167175293	0.464306681873
156.0769094	38714.6178386	19.5562420328
161.0600184	1565.04423014	0.790564016006
166.0614154	2427.85441081	1.22640261299
175.1189524	727.628845215	0.367553306774
235.0828794	5694.4695638	2.87649552689

RECORD_TITLE: 4_13: FTMS + p NSI d Full ms2 269.16@hcd40.00 [50.00-280.00]
AC$MASS_SPECTROMETRY: ION_MODE NA
MS$FOCUSED_ION: PRECURSOR_M/Z  269.08807373
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
CH$FORMULA: CH146NO2PS
AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE hcd
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40.00
PK$NUM_PEAK: 1
PK$PEAK: m/z int. rel.int.
235.0829854	5694.4695638	100.0

RECORD_TITLE: 9_1: FTMS + p NSI d Full ms2 138.04@hcd40.00 [50.00-150.00]<#>9_1: FTMS + p NSI d Full ms2 138.04@hcd80.00 [50.00-150.00]
AC$MASS_SPECTROMETRY: ION_MODE NA
MS$FOCUSED_ION: PRECURSOR_M/Z  138.049194336
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
CH$FORMULA: H13N2O2S2
AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE hcd
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80.00, 40.00
PK$NUM_PEAK: 2
PK$PEAK: m/z int. rel.int.
120.0385584	26510.1155192	100.0
121.0225744	1131.21687826	4.26711410382

RECORD_TITLE: 12_45: FTMS + p NSI d Full ms2 353.04@hcd20.00 [50.00-365.00]<#>12_45: FTMS + p NSI d Full ms2 353.04@hcd40.00 [50.00-365.00]
AC$MASS_SPECTROMETRY: ION_MODE NA
MS$FOCUSED_ION: PRECURSOR_M/Z  353.040466309
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
CH$FORMULA: C2H31O5P7
AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE hcd
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20.00, 40.00
PK$NUM_PEAK: 8
PK$PEAK: m/z int. rel.int.
177.9989684	624.539642334	13.276377312
222.0016864	4704.14200846	100.0
224.0173364	523.004806519	11.1179638195
233.0960034	356.621536255	7.58101127928
240.0122514	360.467781067	7.66277421937
259.0141574	527.621429443	11.2161033509
277.0247224	787.013214111	16.7302180226
307.0352874	2006.81152344	42.6605217238

RECORD_TITLE: 12_47: FTMS + p NSI d Full ms2 353.04@hcd20.00 [50.00-365.00]<#>12_47: FTMS + p NSI d Full ms2 353.04@hcd40.00 [50.00-365.00]<#>12_47: FTMS + p NSI d Full ms2 353.04@hcd80.00 [50.00-365.00]
AC$MASS_SPECTROMETRY: ION_MODE NA
MS$FOCUSED_ION: PRECURSOR_M/Z  353.040466309
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
CH$FORMULA: C2H30N2O3P2S5
AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE hcd
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20.00, 80.00, 40.00
PK$NUM_PEAK: 19
PK$PEAK: m/z int. rel.int.
76.0215474	379.493642171	1.48124251242
110.0793604	240.905975342	0.940306061863
137.0456324	310.089518229	1.2103438003
156.0765984	1264.3899231	4.93517650428
177.9994114	624.539642334	2.43770795111
186.0412624	311.495994568	1.2158335696
194.0069024	1652.79308065	6.45119470588
196.02888915	1119.2911377	4.36882580547
199.0712889	412.669647217	1.61073535131
222.0017244	4704.14200846	18.3612433861
224.0173744	523.004806519	2.04139639648
229.0244484	266.182261149	1.03896465566
231.0435634	1878.90701294	7.33376435116
232.0402174	240.709289551	0.939538356366
233.0955984	426.534858704	1.66485415177
239.0087984	25619.9534506	100.0
240.0122894	360.467781067	1.40698062455
277.0247604	787.013214111	3.07187605017
307.0353254	2006.81152344	7.8330022235

RECORD_TITLE: 12_46: FTMS + p NSI d Full ms2 353.04@hcd20.00 [50.00-365.00]<#>12_46: FTMS + p NSI d Full ms2 353.04@hcd40.00 [50.00-365.00]<#>12_46: FTMS + p NSI d Full ms2 353.04@hcd80.00 [50.00-365.00]
AC$MASS_SPECTROMETRY: ION_MODE NA
MS$FOCUSED_ION: PRECURSOR_M/Z  353.040466309
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
CH$FORMULA: C6H142N2OP3
AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE hcd
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20.00, 80.00, 40.00
PK$NUM_PEAK: 10
PK$PEAK: m/z int. rel.int.
86.0964254	371.63130188	25.3549426089
109.0760244	364.92791748	24.8975970466
125.9977524	231.322723389	15.7822399405
136.0760024	235.365745544	16.0580794464
140.0134024	548.998168945	37.4559866071
147.9821024	247.580780029	16.8914632243
149.9977524	1465.71541341	100.0
200.0747064	424.174110412	28.939731856
233.0960144	356.621536255	24.3308853132
240.0122624	360.467781067	24.5932994747

RECORD_TITLE: 12_41: FTMS + p NSI d Full ms2 353.04@hcd20.00 [50.00-365.00]<#>12_41: FTMS + p NSI d Full ms2 353.04@hcd40.00 [50.00-365.00]<#>12_41: FTMS + p NSI d Full ms2 353.04@hcd80.00 [50.00-365.00]
AC$MASS_SPECTROMETRY: ION_MODE NA
MS$FOCUSED_ION: PRECURSOR_M/Z  353.040466309
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
CH$FORMULA: H30N5P4S4
AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE hcd
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20.00, 80.00, 40.00
PK$NUM_PEAK: 5
PK$PEAK: m/z int. rel.int.
186.0411934	311.495994568	1.92621770241
194.0068334	1652.79308065	10.2204822723
211.0143504	16171.3805339	100.0
212.0169314	248.35995992	1.53579936728
241.0309044	449.311477661	2.77843611879

RECORD_TITLE: 12_40: FTMS + p NSI d Full ms2 353.04@hcd20.00 [50.00-365.00]<#>12_40: FTMS + p NSI d Full ms2 353.04@hcd40.00 [50.00-365.00]<#>12_40: FTMS + p NSI d Full ms2 353.04@hcd80.00 [50.00-365.00]
AC$MASS_SPECTROMETRY: ION_MODE NA
MS$FOCUSED_ION: PRECURSOR_M/Z  353.040466309
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
CH$FORMULA: C12H5N10O2P
AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE hcd
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20.00, 80.00, 40.00
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
71.0127564	207.915283203	0.216961029292
123.0304494	2251.09712728	2.34903534866
125.9977524	231.322723389	0.241386854261
137.0457874	310.089518229	0.323580546899
140.0132464	548.998168945	0.572883368547
147.9821024	247.580780029	0.258352248283
149.9977524	1465.71541341	1.52948412374
165.9926674	587.422119141	0.612979025083
168.0081614	682.549377441	0.712244973966
169.0580834	596.368469238	0.622314602995
174.9930014	8288.38403321	8.64898579512
176.0008264	234.601882935	0.24480867982
177.0084954	907.049053192	0.946511931048
186.0410364	311.495994568	0.325048214641
193.0034104	95830.7046577	100.0
195.0190604	1151.08917236	1.20116947535
196.0253864	337.682826996	0.352374354548
223.0126324	272.505996704	0.284361883467
224.0203014	1011.77780151	1.05579710086
225.0158624	2299.60510254	2.39965375477
281.0196044	258.13458252	0.269365213834
307.0352544	2006.81152344	2.09412163941

RECORD_TITLE: 12_43: FTMS + p NSI d Full ms2 353.04@hcd80.00 [50.00-365.00]
AC$MASS_SPECTROMETRY: ION_MODE NA
MS$FOCUSED_ION: PRECURSOR_M/Z  353.040466309
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
CH$FORMULA: C5H147OS4
AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE hcd
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80.00
PK$NUM_PEAK: 1
PK$PEAK: m/z int. rel.int.
110.0793604	240.905975342	100.0

RECORD_TITLE: 12_42: FTMS + p NSI d Full ms2 353.04@hcd20.00 [50.00-365.00]<#>12_42: FTMS + p NSI d Full ms2 353.04@hcd40.00 [50.00-365.00]<#>12_42: FTMS + p NSI d Full ms2 353.04@hcd80.00 [50.00-365.00]
AC$MASS_SPECTROMETRY: ION_MODE NA
MS$FOCUSED_ION: PRECURSOR_M/Z  353.040466309
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
CH$FORMULA: C13H11N3O7P
AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE hcd
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20.00, 80.00, 40.00
PK$NUM_PEAK: 39
PK$PEAK: m/z int. rel.int.
71.0127564	207.915283203	0.0949292619074
86.0964254	371.63130188	0.169678172021
109.0760244	364.92791748	0.166617563279
110.0712734	717.586954752	0.327633442427
125.9977524	231.322723389	0.105616552355
130.0498704	971.771247862	0.443688053525
136.0756904	235.365745544	0.107462501835
140.0132464	548.998168945	0.250659740658
147.9821024	247.580780029	0.113039601267
149.9977524	1465.71541341	0.669211422161
156.0767534	1264.3899231	0.577290905767
165.9926674	587.422119141	0.268203218826
168.0081614	682.549377441	0.311636103021
169.0580904	596.368469238	0.272287913315
174.9930014	8288.38403321	3.78428255276
176.0008264	234.601882935	0.10711374001
177.0084954	907.049053192	0.414137411194
184.0030764	274.209452311	0.125197631049
193.0034104	95830.7046577	43.7540613709
194.0001584	438.198239645	0.20007108096
195.0076714	319.455037435	0.145855708388
195.0190604	1151.08917236	0.525560429413
199.0713344	412.669647217	0.188415321944
211.0139754	18398.1219075	8.40015272692
220.9983254	219021.278608	100.0
221.9949954	932.389709473	0.425707362955
224.0232994	359.481826782	0.164131005474
225.0158694	2299.60510254	1.04994597655
229.0245404	266.182261149	0.12153260306
235.0139754	866.191558837	0.395482833605
239.0088904	25619.9534506	11.6974723248
247.0141314	2169.64108785	0.990607443093
249.0297814	1576.70782471	0.719887964644
259.0141314	527.621429443	0.240899620711
263.0090464	671.352722168	0.30652397175
264.0168714	274.728988647	0.125434839205
277.0246964	787.013214111	0.359331850819
281.0196114	258.13458252	0.117858220973
307.0352614	2006.81152344	0.916263267291

RECORD_TITLE: 12_49: FTMS + p NSI d Full ms2 353.04@hcd20.00 [50.00-365.00]<#>12_49: FTMS + p NSI d Full ms2 353.04@hcd40.00 [50.00-365.00]
AC$MASS_SPECTROMETRY: ION_MODE NA
MS$FOCUSED_ION: PRECURSOR_M/Z  353.040466309
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
CH$FORMULA: C19H15OP3
AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE hcd
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20.00, 40.00
PK$NUM_PEAK: 2
PK$PEAK: m/z int. rel.int.
200.0749394	424.174110412	100.0
240.0123394	360.467781067	84.981089656

RECORD_TITLE: 12_48: FTMS + p NSI d Full ms2 353.04@hcd20.00 [50.00-365.00]<#>12_48: FTMS + p NSI d Full ms2 353.04@hcd40.00 [50.00-365.00]<#>12_48: FTMS + p NSI d Full ms2 353.04@hcd80.00 [50.00-365.00]
AC$MASS_SPECTROMETRY: ION_MODE NA
MS$FOCUSED_ION: PRECURSOR_M/Z  353.040466309
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
CH$FORMULA: C3H25N4O3P5S
AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE hcd
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20.00, 80.00, 40.00
PK$NUM_PEAK: 32
PK$PEAK: m/z int. rel.int.
71.0127564	207.915283203	0.811536537739
76.0215474	379.493642171	1.48124251242
105.0004784	396.980895996	1.54949889648
122.0270274	4137.30795628	16.1487723398
123.0266104	532.023727417	2.07659911812
139.0327584	289.75042216	1.13095608358
156.0770654	1264.3899231	4.93517650428
177.9989684	624.539642334	2.43770795111
179.0024594	422.887283325	1.65061690741
185.0382384	330.458770752	1.28984922393
194.0068334	1652.79308065	6.45119470588
195.0255174	1516.69664001	5.91998202863
196.0290084	1119.2911377	4.36882580547
199.0711104	412.669647217	1.61073535131
200.0746014	424.174110412	1.65563966083
212.0173984	248.35995992	0.969400511985
221.9948494	932.389709473	3.63931070863
222.0017174	4704.14200846	18.3612433861
223.0204324	6413.97005208	25.0350573995
224.0173674	523.004806519	2.04139639648
224.0200154	1011.77780151	3.94917892206
224.0233874	3425.1203893	13.3689563329
229.0244724	266.182261149	1.03896465566
232.0402414	240.709289551	0.939538356366
239.0088224	25619.9534506	100.0
240.0123134	360.467781067	1.40698062455
241.0309974	449.311477661	1.75375602664
263.0091344	671.352722168	2.62042912554
264.0169594	274.728988647	1.07232430838
277.0247844	787.013214111	3.07187605017
281.0196994	258.13458252	1.00755289434
307.0353494	2006.81152344	7.8330022235

RECORD_TITLE: 5_22: FTMS + p NSI d Full ms2 291.07@hcd20.00 [50.00-305.00]<#>5_22: FTMS + p NSI d Full ms2 291.07@hcd40.00 [50.00-305.00]<#>5_22: FTMS + p NSI d Full ms2 291.07@hcd80.00 [50.00-305.00]
AC$MASS_SPECTROMETRY: ION_MODE NA
MS$FOCUSED_ION: PRECURSOR_M/Z  291.070037842
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
CH$FORMULA: C7H22N2O2P4
AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE hcd
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20.00, 80.00, 40.00
PK$NUM_PEAK: 7
PK$PEAK: m/z int. rel.int.
70.0651254	1239.52301025	20.4448813698
83.0603744	603.151855469	9.94847859298
86.0964254	404.994552612	6.68004185082
93.0447244	458.628860474	7.56469429577
95.0603744	801.591166178	13.2215668156
160.0313754	6062.75472005	100.0
195.0364384	1140.4095459	18.810088789

RECORD_TITLE: 12_26: FTMS + p NSI d Full ms2 353.04@hcd20.00 [50.00-365.00]<#>12_26: FTMS + p NSI d Full ms2 353.04@hcd40.00 [50.00-365.00]<#>12_26: FTMS + p NSI d Full ms2 353.04@hcd80.00 [50.00-365.00]
AC$MASS_SPECTROMETRY: ION_MODE NA
MS$FOCUSED_ION: PRECURSOR_M/Z  353.040466309
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
CH$FORMULA: CH18N6O9P2S
AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE hcd
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20.00, 80.00, 40.00
PK$NUM_PEAK: 15
PK$PEAK: m/z int. rel.int.
123.0304494	2251.09712728	1.02779836808
124.0227074	796.784576416	0.363793226612
137.0460994	320.305679321	0.146244091604
169.0584024	596.368469238	0.272287913315
179.9947174	230.910499573	0.105428340589
186.0416674	311.495994568	0.142221795319
195.0073334	319.455037435	0.145855708388
197.0212664	464.43107605	0.212048381327
220.9978314	219021.278608	100.0
224.0195894	1011.77780151	0.461954111463
232.0406224	240.709289551	0.109902239216
233.0393984	530.847488403	0.242372563879
235.0134814	866.191558837	0.395482833605
239.0083964	25619.9534506	11.6974723248
307.0349234	2006.81152344	0.916263267291

RECORD_TITLE: 12_24: FTMS + p NSI d Full ms2 353.04@hcd20.00 [50.00-365.00]<#>12_24: FTMS + p NSI d Full ms2 353.04@hcd40.00 [50.00-365.00]<#>12_24: FTMS + p NSI d Full ms2 353.04@hcd80.00 [50.00-365.00]
AC$MASS_SPECTROMETRY: ION_MODE NA
MS$FOCUSED_ION: PRECURSOR_M/Z  353.040466309
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
CH$FORMULA: C3H33O2P5S3
AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE hcd
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20.00, 80.00, 40.00
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
71.0127564	207.915283203	0.216961029292
105.0004784	396.980895996	0.414252297751
110.0793604	240.905975342	0.251387043644
156.0765984	1264.3899231	1.3193995887
174.9928464	8288.38403321	8.64898579512
176.0006714	234.601882935	0.24480867982
177.0084964	907.049053192	0.946511931048
177.9989684	624.539642334	0.651711416048
193.0034114	95830.7046577	100.0
195.0190614	1151.08917236	1.20116947535
211.0139764	18398.1219075	19.1985668615
212.0169314	248.35995992	0.259165327863
222.0012814	4704.14200846	4.90880456871
233.0955984	426.534858704	0.445092061283
240.0118464	360.467781067	0.37615061097
281.0192324	258.13458252	0.269365213834
307.0348824	2006.81152344	2.09412163941

RECORD_TITLE: 12_22: FTMS + p NSI d Full ms2 353.04@hcd20.00 [50.00-365.00]<#>12_22: FTMS + p NSI d Full ms2 353.04@hcd40.00 [50.00-365.00]<#>12_22: FTMS + p NSI d Full ms2 353.04@hcd80.00 [50.00-365.00]
AC$MASS_SPECTROMETRY: ION_MODE NA
MS$FOCUSED_ION: PRECURSOR_M/Z  353.040466309
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
CH$FORMULA: H24N2O11P4
AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE hcd
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20.00, 80.00, 40.00
PK$NUM_PEAK: 3
PK$PEAK: m/z int. rel.int.
169.0584024	596.368469238	68.8494898333
185.0377504	330.458770752	38.1507724684
235.0134194	866.191558837	100.0

RECORD_TITLE: 5_17: FTMS + p NSI d Full ms2 291.07@hcd20.00 [50.00-305.00]<#>5_17: FTMS + p NSI d Full ms2 291.07@hcd40.00 [50.00-305.00]<#>5_17: FTMS + p NSI d Full ms2 291.07@hcd80.00 [50.00-305.00]
AC$MASS_SPECTROMETRY: ION_MODE NA
MS$FOCUSED_ION: PRECURSOR_M/Z  291.070037842
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
CH$FORMULA: C12H13N5PS
AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE hcd
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20.00, 80.00, 40.00
PK$NUM_PEAK: 8
PK$PEAK: m/z int. rel.int.
70.0651254	1239.52301025	18.3822729855
83.0603744	603.151855469	8.94481342196
86.0964254	404.994552612	6.00611716134
93.0447244	458.628860474	6.80152029654
95.0603744	801.591166178	11.8876918924
110.0712734	2591.87412516	38.4378001205
122.0712734	901.27532959	13.3660198371
160.0310634	6743.0345052	100.0

RECORD_TITLE: 5_16: FTMS + p NSI d Full ms2 291.07@hcd20.00 [50.00-305.00]<#>5_16: FTMS + p NSI d Full ms2 291.07@hcd40.00 [50.00-305.00]<#>5_16: FTMS + p NSI d Full ms2 291.07@hcd80.00 [50.00-305.00]
AC$MASS_SPECTROMETRY: ION_MODE NA
MS$FOCUSED_ION: PRECURSOR_M/Z  291.070037842
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
CH$FORMULA: C11H19NO2P3
AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE hcd
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20.00, 80.00, 40.00
PK$NUM_PEAK: 4
PK$PEAK: m/z int. rel.int.
70.0651254	1239.52301025	18.3822729855
86.0964254	404.994552612	6.00611716134
160.0310634	6743.0345052	100.0
195.0361264	1140.4095459	16.9124085754

RECORD_TITLE: 5_14: FTMS + p NSI d Full ms2 291.07@hcd20.00 [50.00-305.00]<#>5_14: FTMS + p NSI d Full ms2 291.07@hcd40.00 [50.00-305.00]<#>5_14: FTMS + p NSI d Full ms2 291.07@hcd80.00 [50.00-305.00]
AC$MASS_SPECTROMETRY: ION_MODE NA
MS$FOCUSED_ION: PRECURSOR_M/Z  291.070037842
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
CH$FORMULA: C5H15N4O8P
AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE hcd
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20.00, 80.00, 40.00
PK$NUM_PEAK: 10
PK$PEAK: m/z int. rel.int.
70.0651254	1239.52301025	0.183525298898
83.0603744	603.151855469	0.0893034043255
86.0964254	404.994552612	0.0599639907489
93.0447244	458.628860474	0.0679051522281
95.0603744	801.591166178	0.118684572331
110.0712734	2591.87412516	0.383756065511
159.0276144	675396.262913	100.0
160.0243624	1577.19441732	0.233521342051
177.0254474	934.951171875	0.138430018526
195.0360124	1140.4095459	0.168850437665

RECORD_TITLE: 3_7: FTMS + p NSI d Full ms2 269.09@hcd20.00 [50.00-280.00]<#>3_7: FTMS + p NSI d Full ms2 269.09@hcd40.00 [50.00-280.00]<#>3_7: FTMS + p NSI d Full ms2 269.09@hcd80.00 [50.00-280.00]
AC$MASS_SPECTROMETRY: ION_MODE NA
MS$FOCUSED_ION: PRECURSOR_M/Z  269.088043213
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
CH$FORMULA: C6H23NO4PS2
AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE hcd
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20.00, 80.00, 40.00
PK$NUM_PEAK: 10
PK$PEAK: m/z int. rel.int.
70.0651254	813.814819336	2.25365957261
86.0964254	5916.5789388	16.3845071947
110.0236554	2863.59191895	7.93001207013
137.0456324	5325.18063693	14.7467753513
138.0660334	8148.97111005	22.5665671265
156.0765984	36110.8141277	100.0
161.0600184	1948.28767904	5.39530255993
166.0609484	1700.64509583	4.70951745872
171.0636884	3805.06982422	10.5372030959
209.0793384	3458.37141927	9.57710730931

RECORD_TITLE: 5_11: FTMS + p NSI d Full ms2 291.07@hcd40.00 [50.00-305.00]
AC$MASS_SPECTROMETRY: ION_MODE NA
MS$FOCUSED_ION: PRECURSOR_M/Z  291.070037842
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
CH$FORMULA: CH26NO7P2S2
AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE hcd
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40.00
PK$NUM_PEAK: 2
PK$PEAK: m/z int. rel.int.
159.0273034	1074894.97917	100.0
159.1230134	833.754302979	0.0775661175404

RECORD_TITLE: 5_10: FTMS + p NSI d Full ms2 291.07@hcd40.00 [50.00-305.00]
AC$MASS_SPECTROMETRY: ION_MODE NA
MS$FOCUSED_ION: PRECURSOR_M/Z  291.070037842
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
CH$FORMULA: H20N8O2P2S2
AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE hcd
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40.00
PK$NUM_PEAK: 1
PK$PEAK: m/z int. rel.int.
159.1230064	833.754302979	100.0

RECORD_TITLE: 6_11: FTMS + p NSI d Full ms2 291.17@hcd20.00 [50.00-305.00]<#>6_11: FTMS + p NSI d Full ms2 291.17@hcd40.00 [50.00-305.00]<#>6_11: FTMS + p NSI d Full ms2 291.17@hcd80.00 [50.00-305.00]
AC$MASS_SPECTROMETRY: ION_MODE NA
MS$FOCUSED_ION: PRECURSOR_M/Z  291.070068359
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
CH$FORMULA: C16H10N4S
AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE hcd
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20.00, 80.00, 40.00
PK$NUM_PEAK: 7
PK$PEAK: m/z int. rel.int.
70.0651254	1306.6254069	20.3878242079
84.0807754	448.410766602	6.99674124974
95.0603744	849.053141276	13.2481322467
110.0712734	2479.54288737	38.6893475641
122.0712734	863.803812663	13.4782931586
159.0262984	881.635823568	13.7565335033
160.0307514	6408.85164388	100.0

RECORD_TITLE: 5_18: FTMS + p NSI d Full ms2 291.07@hcd20.00 [50.00-305.00]<#>5_18: FTMS + p NSI d Full ms2 291.07@hcd40.00 [50.00-305.00]<#>5_18: FTMS + p NSI d Full ms2 291.07@hcd80.00 [50.00-305.00]
AC$MASS_SPECTROMETRY: ION_MODE NA
MS$FOCUSED_ION: PRECURSOR_M/Z  291.070037842
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
CH$FORMULA: CH18N5O8P2
AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE hcd
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20.00, 80.00, 40.00
PK$NUM_PEAK: 2
PK$PEAK: m/z int. rel.int.
159.0277704	675396.262913	100.0
160.0243624	1577.19441732	0.233521342051

RECORD_TITLE: 12_56: FTMS + p NSI d Full ms2 353.04@hcd20.00 [50.00-365.00]<#>12_56: FTMS + p NSI d Full ms2 353.04@hcd40.00 [50.00-365.00]<#>12_56: FTMS + p NSI d Full ms2 353.04@hcd80.00 [50.00-365.00]
AC$MASS_SPECTROMETRY: ION_MODE NA
MS$FOCUSED_ION: PRECURSOR_M/Z  353.040466309
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
CH$FORMULA: C9H14N4O7P2
AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE hcd
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20.00, 80.00, 40.00
PK$NUM_PEAK: 45
PK$PEAK: m/z int. rel.int.
71.0127564	207.915283203	0.0949292619074
86.0964254	371.63130188	0.169678172021
109.0760244	364.92791748	0.166617563279
110.0712734	717.586954752	0.327633442427
124.0227074	796.784576416	0.363793226612
125.9977524	231.322723389	0.105616552355
130.0498704	971.771247862	0.443688053525
136.0758464	235.365745544	0.107462501835
137.0457874	310.089518229	0.141579631075
140.0132464	548.998168945	0.250659740658
147.9821024	247.580780029	0.113039601267
149.9977524	1465.71541341	0.669211422161
156.0769094	1264.3899231	0.577290905767
165.9926674	587.422119141	0.268203218826
168.0083174	682.549377441	0.311636103021
169.0582464	596.368469238	0.272287913315
174.9930014	8288.38403321	3.78428255276
176.0008264	234.601882935	0.10711374001
177.0086514	907.049053192	0.414137411194
179.0021474	529.438934326	0.241729450988
179.9947174	230.910499573	0.105428340589
184.0032324	274.209452311	0.125197631049
193.0035664	95830.7046577	43.7540613709
194.0003144	438.198239645	0.20007108096
195.0192164	1151.08917236	0.525560429413
196.0286964	1119.2911377	0.511042189512
197.0212664	464.43107605	0.212048381327
199.0714904	412.669647217	0.188415321944
200.0751374	336.69682312	0.153727905005
211.0141314	18398.1219075	8.40015272692
212.0176224	281.387751261	0.128475074682
220.9984814	219021.278608	100.0
221.9952294	932.389709473	0.425707362955
222.0019724	6208.58984375	2.83469710487
223.0131074	272.505996704	0.124419873008
224.0176224	523.004806519	0.238791778517
224.0195894	1011.77780151	0.461954111463
224.0236114	3425.1203893	1.56382996715
225.0160254	2299.60510254	1.04994597655
229.0246964	266.182261149	0.12153260306
235.0141314	866.191558837	0.395482833605
239.0090464	25619.9534506	11.6974723248
240.0125374	257.438812256	0.117540548522
264.0171834	274.728988647	0.125434839205
307.0355734	2006.81152344	0.916263267291

RECORD_TITLE: 12_57: FTMS + p NSI d Full ms2 353.04@hcd20.00 [50.00-365.00]<#>12_57: FTMS + p NSI d Full ms2 353.04@hcd40.00 [50.00-365.00]<#>12_57: FTMS + p NSI d Full ms2 353.04@hcd80.00 [50.00-365.00]
AC$MASS_SPECTROMETRY: ION_MODE NA
MS$FOCUSED_ION: PRECURSOR_M/Z  353.040466309
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
CH$FORMULA: CH150NOPS4
AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE hcd
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20.00, 80.00, 40.00
PK$NUM_PEAK: 2
PK$PEAK: m/z int. rel.int.
110.0793604	240.905975342	77.6891707652
137.0456324	310.089518229	100.0

RECORD_TITLE: 12_54: FTMS + p NSI d Full ms2 353.04@hcd20.00 [50.00-365.00]<#>12_54: FTMS + p NSI d Full ms2 353.04@hcd80.00 [50.00-365.00]
AC$MASS_SPECTROMETRY: ION_MODE NA
MS$FOCUSED_ION: PRECURSOR_M/Z  353.040466309
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
CH$FORMULA: C4H16O18
AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE hcd
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20.00, 80.00
PK$NUM_PEAK: 5
PK$PEAK: m/z int. rel.int.
71.0127564	207.915283203	10.3604788379
263.0092514	671.352722168	33.4537007749
264.0170764	274.728988647	13.6898251499
281.0198164	258.13458252	12.8629210818
307.0354664	2006.81152344	100.0

RECORD_TITLE: 12_55: FTMS + p NSI d Full ms2 353.04@hcd20.00 [50.00-365.00]<#>12_55: FTMS + p NSI d Full ms2 353.04@hcd40.00 [50.00-365.00]<#>12_55: FTMS + p NSI d Full ms2 353.04@hcd80.00 [50.00-365.00]
AC$MASS_SPECTROMETRY: ION_MODE NA
MS$FOCUSED_ION: PRECURSOR_M/Z  353.040466309
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
CH$FORMULA: C6H19N5O4PS3
AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE hcd
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20.00, 80.00, 40.00
PK$NUM_PEAK: 58
PK$PEAK: m/z int. rel.int.
71.0127564	207.915283203	0.0949292619074
76.0215474	379.493642171	0.173267932953
86.0964254	371.63130188	0.169678172021
105.0004784	396.980895996	0.181252204589
109.0760244	364.92791748	0.166617563279
110.0712734	717.586954752	0.327633442427
110.0793604	240.905975342	0.109992041354
122.0270274	4137.30795628	1.88899817523
123.0266104	532.023727417	0.242909607138
123.0304494	2251.09712728	1.02779836808
124.0227074	796.784576416	0.363793226612
125.9977524	231.322723389	0.105616552355
130.0498704	971.771247862	0.443688053525
136.0760024	235.365745544	0.107462501835
137.045735733	310.089518229	0.141579631075
139.0326024	289.75042216	0.132293274882
140.0134024	548.998168945	0.250659740658
147.9821024	247.580780029	0.113039601267
149.9977524	1465.71541341	0.669211422161
156.0769094	1264.3899231	0.577290905767
165.9926674	587.422119141	0.268203218826
168.0083174	682.549377441	0.311636103021
177.9992554	624.539642334	0.285150212939
179.00253865	422.887283325	0.193080455932
179.9947794	230.910499573	0.105428340589
184.0031859	274.209452311	0.125197631049
185.0382384	330.458770752	0.150879756
186.0412624	311.495994568	0.142221795319
194.0002214	438.198239645	0.20007108096
194.0067464	1652.79308065	0.754626715337
195.0078904	319.455037435	0.145855708388
195.0258044	1516.69664001	0.69248825943
196.0252314	337.682826996	0.154178091344
196.02871965	1119.2911377	0.511042189512
197.02145215	464.43107605	0.212048381327
199.0715999	412.669647217	0.188415321944
211.0141164	18398.1219075	8.40015272692
212.0173114	248.35995992	0.113395356606
220.9984404	219021.278608	100.0
221.9951364	932.389709473	0.425707362955
222.0018174	4704.14200846	2.14780136357
223.0128584	272.505996704	0.124419873008
223.0207194	6413.97005208	2.9284689108
224.0174674	523.004806519	0.238791778517
224.0201464	1011.77780151	0.461954111463
224.0235184	3425.1203893	1.56382996715
225.0157764	2299.60510254	1.04994597655
229.0246034	266.182261149	0.12153260306
231.0437184	1878.90701294	0.85786505534
232.0463614	2737.69018555	1.24996539283
233.0957534	426.534858704	0.194745853651
235.0140384	866.191558837	0.395482833605
239.0091094	25619.9534506	11.6974723248
241.0312844	449.311477661	0.20514512586
263.0092654	671.352722168	0.30652397175
264.0170904	274.728988647	0.125434839205
281.0198304	258.13458252	0.117858220973
307.0354804	2006.81152344	0.916263267291

RECORD_TITLE: 12_52: FTMS + p NSI d Full ms2 353.04@hcd20.00 [50.00-365.00]<#>12_52: FTMS + p NSI d Full ms2 353.04@hcd40.00 [50.00-365.00]<#>12_52: FTMS + p NSI d Full ms2 353.04@hcd80.00 [50.00-365.00]
AC$MASS_SPECTROMETRY: ION_MODE NA
MS$FOCUSED_ION: PRECURSOR_M/Z  353.040466309
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
CH$FORMULA: C5H25NO6P3S2
AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE hcd
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20.00, 80.00, 40.00
PK$NUM_PEAK: 40
PK$PEAK: m/z int. rel.int.
71.0127564	207.915283203	0.0949292619074
76.0215474	379.493642171	0.173267932953
86.0964254	371.63130188	0.169678172021
105.0004784	396.980895996	0.181252204589
110.0793604	240.905975342	0.109992041354
122.0270274	4137.30795628	1.88899817523
123.0266104	532.023727417	0.242909607138
130.0498704	971.771247862	0.443688053525
137.0456324	310.089518229	0.141579631075
156.0765984	1264.3899231	0.577290905767
169.0580904	596.368469238	0.272287913315
174.9928464	8288.38403321	3.78428255276
176.0006714	234.601882935	0.10711374001
177.0084964	907.049053192	0.414137411194
177.9990994	624.539642334	0.285150212939
179.0023814	422.887283325	0.193080455932
179.9947174	230.910499573	0.105428340589
186.0416674	311.495994568	0.142221795319
193.0034114	95830.7046577	43.7540613709
194.0069024	1652.79308065	0.754626715337
195.0190614	1151.08917236	0.525560429413
196.0286964	1119.2911377	0.511042189512
197.0212664	464.43107605	0.212048381327
199.0714914	412.669647217	0.188415321944
200.0746704	424.174110412	0.193667991123
211.0139764	18398.1219075	8.40015272692
212.0174674	248.35995992	0.113395356606
220.9984824	219021.278608	100.0
222.0018174	4704.14200846	2.14780136357
224.0174674	523.004806519	0.238791778517
229.0245414	266.182261149	0.12153260306
232.0403104	240.709289551	0.109902239216
235.0140544	866.191558837	0.395482833605
239.0090474	25619.9534506	11.6974723248
240.0123824	360.467781067	0.164581169171
247.0142884	3453.76041667	1.57690633468
263.0092034	671.352722168	0.30652397175
264.0170284	274.728988647	0.125434839205
281.0197684	258.13458252	0.117858220973
307.0354184	2006.81152344	0.916263267291

RECORD_TITLE: 12_53: FTMS + p NSI d Full ms2 353.04@hcd20.00 [50.00-365.00]<#>12_53: FTMS + p NSI d Full ms2 353.04@hcd40.00 [50.00-365.00]<#>12_53: FTMS + p NSI d Full ms2 353.04@hcd80.00 [50.00-365.00]
AC$MASS_SPECTROMETRY: ION_MODE NA
MS$FOCUSED_ION: PRECURSOR_M/Z  353.040466309
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
CH$FORMULA: C3H10N7O13
AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE hcd
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20.00, 80.00, 40.00
PK$NUM_PEAK: 8
PK$PEAK: m/z int. rel.int.
71.0127564	207.915283203	6.07030584538
124.0227074	796.784576416	23.262965556
185.0377504	330.458770752	9.64809213084
224.0234974	3425.1203893	100.0
263.0092444	671.352722168	19.6008503603
264.0170694	274.728988647	8.02100240053
281.0198094	258.13458252	7.53651122239
307.0354594	2006.81152344	58.5909776984

RECORD_TITLE: 12_50: FTMS + p NSI d Full ms2 353.04@hcd20.00 [50.00-365.00]<#>12_50: FTMS + p NSI d Full ms2 353.04@hcd40.00 [50.00-365.00]<#>12_50: FTMS + p NSI d Full ms2 353.04@hcd80.00 [50.00-365.00]
AC$MASS_SPECTROMETRY: ION_MODE NA
MS$FOCUSED_ION: PRECURSOR_M/Z  353.040466309
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
CH$FORMULA: C3H24N6OS6
AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE hcd
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20.00, 80.00, 40.00
PK$NUM_PEAK: 8
PK$PEAK: m/z int. rel.int.
76.0215474	379.493642171	8.06722334249
110.0793604	240.905975342	5.12114589459
184.0031394	274.209452311	5.82910660047
199.0715534	412.669647217	8.77247426787
222.0017244	4704.14200846	100.0
224.0173744	523.004806519	11.1179638195
231.0436254	1878.90701294	39.9415453351
233.0956604	426.534858704	9.06721901541

RECORD_TITLE: 12_51: FTMS + p NSI d Full ms2 353.04@hcd20.00 [50.00-365.00]<#>12_51: FTMS + p NSI d Full ms2 353.04@hcd40.00 [50.00-365.00]<#>12_51: FTMS + p NSI d Full ms2 353.04@hcd80.00 [50.00-365.00]
AC$MASS_SPECTROMETRY: ION_MODE NA
MS$FOCUSED_ION: PRECURSOR_M/Z  353.040466309
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
CH$FORMULA: C4H19N8OP3S2
AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE hcd
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20.00, 80.00, 40.00
PK$NUM_PEAK: 31
PK$PEAK: m/z int. rel.int.
76.0215474	379.493642171	0.396004228004
110.0793604	240.905975342	0.251387043644
123.0266104	532.023727417	0.555170421962
123.0304494	2251.09712728	2.34903534866
125.9977524	231.322723389	0.241386854261
136.0760024	235.365745544	0.245605775711
137.045710233	310.089518229	0.323580546899
139.0327584	289.75042216	0.302356560139
169.0580834	596.368469238	0.622314602995
174.9928464	8288.38403321	8.64898579512
176.0006714	234.601882935	0.24480867982
177.0084964	907.049053192	0.946511931048
179.0025214	422.887283325	0.441285791266
179.9947104	230.910499573	0.240956695871
186.0413484	311.495994568	0.325048214641
193.0034114	95830.7046577	100.0
194.0066774	1652.79308065	1.72470095733
195.0190614	1151.08917236	1.20116947535
196.0290704	1119.2911377	1.16798800728
197.0212594	464.43107605	0.484637024959
200.0746634	424.174110412	0.442628604191
212.0172424	248.35995992	0.259165327863
222.0017484	4704.14200846	4.90880456871
223.0126334	272.505996704	0.284361883467
223.0206504	6413.97005208	6.69302190252
224.0173984	523.004806519	0.545759115919
231.0436494	1878.90701294	1.96065240222
232.0403034	240.709289551	0.251181800667
233.0956844	426.534858704	0.445092061283
240.0123754	360.467781067	0.37615061097
241.0312154	449.311477661	0.468859619958

RECORD_TITLE: 12_58: FTMS + p NSI d Full ms2 353.04@hcd20.00 [50.00-365.00]<#>12_58: FTMS + p NSI d Full ms2 353.04@hcd40.00 [50.00-365.00]
AC$MASS_SPECTROMETRY: ION_MODE NA
MS$FOCUSED_ION: PRECURSOR_M/Z  353.040466309
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
CH$FORMULA: C2H145N3OP4
AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE hcd
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20.00, 40.00
PK$NUM_PEAK: 5
PK$PEAK: m/z int. rel.int.
177.9989684	624.539642334	41.1776241772
195.0255174	1516.69664001	100.0
200.0748624	424.174110412	27.9669710621
233.0388114	530.847488403	35.0002416039
240.0125744	257.438812256	16.973652177

RECORD_TITLE: 12_59: FTMS + p NSI d Full ms2 353.04@hcd20.00 [50.00-365.00]<#>12_59: FTMS + p NSI d Full ms2 353.04@hcd40.00 [50.00-365.00]<#>12_59: FTMS + p NSI d Full ms2 353.04@hcd80.00 [50.00-365.00]
AC$MASS_SPECTROMETRY: ION_MODE NA
MS$FOCUSED_ION: PRECURSOR_M/Z  353.040466309
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
CH$FORMULA: C10H8N8O5S
AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE hcd
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20.00, 80.00, 40.00
PK$NUM_PEAK: 36
PK$PEAK: m/z int. rel.int.
71.0127564	207.915283203	3.34883264051
76.0215474	379.493642171	6.11239672328
105.0004784	396.980895996	6.39405897292
109.0760244	364.92791748	5.8777907168
110.0712734	717.586954752	11.5579700514
122.0270274	4137.30795628	66.638448672
123.0262984	532.023727417	8.56915565058
124.0227074	796.784576416	12.8335837359
130.0498704	971.771247862	15.6520445434
137.0457874	310.089518229	4.99452413564
139.0324464	289.75042216	4.66692806985
140.0130904	548.998168945	8.84255817765
168.0080054	682.549377441	10.9936297069
169.0580834	596.368469238	9.60553820186
179.0022094	529.438934326	8.52752311959
179.9947794	230.910499573	3.71921008448
184.0029204	274.209452311	4.41661406554
185.0379264	330.458770752	5.3226059229
186.0410364	311.495994568	5.01717785209
194.0005324	438.198239645	7.05793506533
195.0261154	1982.22833252	31.9271909146
196.0250614	337.682826996	5.4389617529
196.0287584	1119.2911377	18.0281056708
197.0213284	464.43107605	7.48045993918
212.0176224	281.387751261	4.53223289576
221.9954474	932.389709473	15.0177372469
222.0019724	6208.58984375	100.0
223.0128229	272.505996704	4.38917698805
224.0176224	523.004806519	8.42389044342
224.0199764	1011.77780151	16.2964187839
224.0236734	3425.1203893	55.1674450318
225.0162434	2299.60510254	37.0390887531
232.0465164	2737.69018555	44.0952012364
241.0315954	449.311477661	7.23693284576
247.0131694	885.521759033	14.2628484297
264.0172454	274.728988647	4.42498209031

RECORD_TITLE: 12_1: FTMS + p NSI d Full ms2 353.04@hcd20.00 [50.00-365.00]<#>12_1: FTMS + p NSI d Full ms2 353.04@hcd40.00 [50.00-365.00]<#>12_1: FTMS + p NSI d Full ms2 353.04@hcd80.00 [50.00-365.00]
AC$MASS_SPECTROMETRY: ION_MODE NA
MS$FOCUSED_ION: PRECURSOR_M/Z  353.040466309
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
CH$FORMULA: C9H12N4O9S
AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE hcd
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20.00, 80.00, 40.00
PK$NUM_PEAK: 33
PK$PEAK: m/z int. rel.int.
71.0127564	207.915283203	3.34883264051
76.0215474	379.493642171	6.11239672328
86.0964254	371.63130188	5.98576023272
105.0004784	396.980895996	6.39405897292
109.0760244	364.92791748	5.8777907168
110.0712734	717.586954752	11.5579700514
122.0270274	4137.30795628	66.638448672
123.0262984	532.023727417	8.56915565058
124.0227074	796.784576416	12.8335837359
130.0498704	971.771247862	15.6520445434
136.0756904	235.365745544	3.7909694708
137.0457874	310.089518229	4.99452413564
139.0324464	289.75042216	4.66692806985
140.0130904	548.998168945	8.84255817765
156.0767534	1264.3899231	20.3651707541
169.0580904	596.368469238	9.60553820186
179.0022094	529.438934326	8.52752311959
179.9947794	230.910499573	3.71921008448
185.0379264	330.458770752	5.3226059229
196.0247434	337.682826996	5.4389617529
199.0713344	412.669647217	6.64675324997
200.0751374	336.69682312	5.42308046744
212.0176224	281.387751261	4.53223289576
222.0019724	6208.58984375	100.0
223.0131694	272.505996704	4.38917698805
224.0176224	523.004806519	8.42389044342
224.0196584	1011.77780151	16.2964187839
224.9924344	242.34072113	3.90331342912
231.0434064	1878.90701294	30.2630236531
240.0125374	257.438812256	4.14649411114
247.0131694	885.521759033	14.2628484297
264.0172524	274.728988647	4.42498209031
277.0237344	787.013214111	12.6761991679

RECORD_TITLE: 12_2: FTMS + p NSI d Full ms2 353.04@hcd20.00 [50.00-365.00]<#>12_2: FTMS + p NSI d Full ms2 353.04@hcd40.00 [50.00-365.00]<#>12_2: FTMS + p NSI d Full ms2 353.04@hcd80.00 [50.00-365.00]
AC$MASS_SPECTROMETRY: ION_MODE NA
MS$FOCUSED_ION: PRECURSOR_M/Z  353.040466309
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
CH$FORMULA: C12H21N2PS4
AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE hcd
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20.00, 80.00, 40.00
PK$NUM_PEAK: 12
PK$PEAK: m/z int. rel.int.
76.0215474	379.493642171	52.7035991101
86.0964254	371.63130188	51.6116871919
109.0760244	364.92791748	50.6807296083
123.0264544	532.023727417	73.8867852606
137.0456324	310.089518229	43.064841781
139.0324464	289.75042216	40.2401737329
194.0000654	438.198239645	60.8564196777
195.0078904	319.455037435	44.3655132939
196.0250754	337.682826996	46.896965753
196.0286034	720.052612305	100.0
232.0408674	240.709289551	33.429402996
233.0394884	530.847488403	73.7234306676

RECORD_TITLE: 12_3: FTMS + p NSI d Full ms2 353.04@hcd20.00 [50.00-365.00]<#>12_3: FTMS + p NSI d Full ms2 353.04@hcd40.00 [50.00-365.00]<#>12_3: FTMS + p NSI d Full ms2 353.04@hcd80.00 [50.00-365.00]
AC$MASS_SPECTROMETRY: ION_MODE NA
MS$FOCUSED_ION: PRECURSOR_M/Z  353.040466309
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
CH$FORMULA: C2H143N3O3P2S
AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE hcd
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20.00, 80.00, 40.00
PK$NUM_PEAK: 11
PK$PEAK: m/z int. rel.int.
76.0215474	379.493642171	13.8618184108
139.0327584	289.75042216	10.5837550096
200.0747319	424.174110412	15.4938682489
224.0177284	523.004806519	19.103871186
224.9921594	242.34072113	8.85201409603
232.0408834	240.709289551	8.79242256198
232.0469344	2737.69018555	100.0
233.0390019	530.847488403	19.3903419461
240.0126089	257.438812256	9.40350422467
264.0172894	274.728988647	10.0350649645
277.0237714	787.013214111	28.7473439568

RECORD_TITLE: 12_29: FTMS + p NSI d Full ms2 353.04@hcd20.00 [50.00-365.00]<#>12_29: FTMS + p NSI d Full ms2 353.04@hcd40.00 [50.00-365.00]<#>12_29: FTMS + p NSI d Full ms2 353.04@hcd80.00 [50.00-365.00]
AC$MASS_SPECTROMETRY: ION_MODE NA
MS$FOCUSED_ION: PRECURSOR_M/Z  353.040466309
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
CH$FORMULA: C17H8N2O7
AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE hcd
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20.00, 80.00, 40.00
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
71.0127564	207.915283203	0.0949292619074
109.0760244	364.92791748	0.166617563279
130.0498704	971.771247862	0.443688053525
140.0130904	548.998168945	0.250659740658
168.0080054	682.549377441	0.311636103021
177.0083394	907.049053192	0.414137411194
184.0029204	274.209452311	0.125197631049
193.0032544	95830.7046577	43.7540613709
195.0076714	319.455037435	0.145855708388
195.0189044	1151.08917236	0.525560429413
211.0138194	18398.1219075	8.40015272692
220.9981694	219021.278608	100.0
221.9947614	1184.39428711	0.54076676688
229.0243844	266.182261149	0.12153260306
235.0138194	866.191558837	0.395482833605
239.0087344	25619.9534506	11.6974723248
247.0138194	2169.64108785	0.990607443093
249.0294694	1576.70782471	0.719887964644
259.0138194	527.621429443	0.240899620711
263.0087344	671.352722168	0.30652397175
264.0165594	274.728988647	0.125434839205
277.0243844	787.013214111	0.359331850819
281.0192994	258.13458252	0.117858220973
307.0349494	2006.81152344	0.916263267291

RECORD_TITLE: 11_1: FTMS + p NSI d Full ms2 119.04@hcd40.00 [50.00-130.00]
AC$MASS_SPECTROMETRY: ION_MODE NA
MS$FOCUSED_ION: PRECURSOR_M/Z  119.035224915
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
CH$FORMULA: C5H2N4
AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE hcd
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40.00
PK$NUM_PEAK: 2
PK$PEAK: m/z int. rel.int.
67.0290744	727.180175781	7.00283148065
92.0243234	10384.0878906	100.0

RECORD_TITLE: 3_1: FTMS + p NSI d Full ms2 269.09@hcd20.00 [50.00-280.00]<#>3_1: FTMS + p NSI d Full ms2 269.09@hcd40.00 [50.00-280.00]<#>3_1: FTMS + p NSI d Full ms2 269.09@hcd80.00 [50.00-280.00]
AC$MASS_SPECTROMETRY: ION_MODE NA
MS$FOCUSED_ION: PRECURSOR_M/Z  269.088043213
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
CH$FORMULA: C8H20N3OP2S
AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE hcd
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20.00, 80.00, 40.00
PK$NUM_PEAK: 13
PK$PEAK: m/z int. rel.int.
70.0651254	813.814819336	0.414224977049
82.0525494	2364.79215495	1.20365954617
83.0603744	1929.60078939	0.982150759249
85.0760244	944.649047852	0.480818511618
86.0964254	5916.5789388	3.01148948987
93.0447244	1327.61175537	0.675743345822
95.0603744	4523.99552409	2.30267610962
105.0447244	1210.09474691	0.615928165544
110.0712734	196466.863281	100.0
120.0807754	1089.25671387	0.554422611364
121.0396394	1337.42224121	0.680736801551
136.0756904	951.001139323	0.484051673366
138.0661884	8148.97111005	4.1477585451

RECORD_TITLE: 5_23: FTMS + p NSI d Full ms2 291.07@hcd20.00 [50.00-305.00]<#>5_23: FTMS + p NSI d Full ms2 291.07@hcd40.00 [50.00-305.00]<#>5_23: FTMS + p NSI d Full ms2 291.07@hcd80.00 [50.00-305.00]
AC$MASS_SPECTROMETRY: ION_MODE NA
MS$FOCUSED_ION: PRECURSOR_M/Z  291.070037842
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
CH$FORMULA: C8H16N6P2S
AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE hcd
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20.00, 80.00, 40.00
PK$NUM_PEAK: 8
PK$PEAK: m/z int. rel.int.
70.0651254	1239.52301025	20.4448813698
83.0603744	603.151855469	9.94847859298
86.0964254	404.994552612	6.68004185082
93.0447244	458.628860474	7.56469429577
95.0603744	801.591166178	13.2215668156
110.0712734	2591.87412516	42.7507666869
122.0712734	901.27532959	14.8657725936
160.0313754	6062.75472005	100.0

RECORD_TITLE: 5_21: FTMS + p NSI d Full ms2 291.07@hcd80.00 [50.00-305.00]
AC$MASS_SPECTROMETRY: ION_MODE NA
MS$FOCUSED_ION: PRECURSOR_M/Z  291.070037842
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
CH$FORMULA: C6H27O2PS4
AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE hcd
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80.00
PK$NUM_PEAK: 1
PK$PEAK: m/z int. rel.int.
195.0364144	1140.4095459	100.0

RECORD_TITLE: 3_5: FTMS + p NSI d Full ms2 269.09@hcd20.00 [50.00-280.00]<#>3_5: FTMS + p NSI d Full ms2 269.09@hcd40.00 [50.00-280.00]
AC$MASS_SPECTROMETRY: ION_MODE NA
MS$FOCUSED_ION: PRECURSOR_M/Z  269.088043213
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
CH$FORMULA: C3H28N2OS5
AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE hcd
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20.00, 40.00
PK$NUM_PEAK: 2
PK$PEAK: m/z int. rel.int.
128.9860924	1063.96577962	95.3095299374
156.9810074	1116.32675171	100.0

RECORD_TITLE: 12_6: FTMS + p NSI d Full ms2 353.04@hcd20.00 [50.00-365.00]<#>12_6: FTMS + p NSI d Full ms2 353.04@hcd40.00 [50.00-365.00]<#>12_6: FTMS + p NSI d Full ms2 353.04@hcd80.00 [50.00-365.00]
AC$MASS_SPECTROMETRY: ION_MODE NA
MS$FOCUSED_ION: PRECURSOR_M/Z  353.040466309
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
CH$FORMULA: C4H143O6S2
AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE hcd
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20.00, 80.00, 40.00
PK$NUM_PEAK: 13
PK$PEAK: m/z int. rel.int.
71.0127564	207.915283203	10.3604788379
105.0004784	396.980895996	19.7816731347
110.0793604	240.905975342	12.0044145914
200.0746704	424.174110412	21.1367188925
224.0177284	523.004806519	26.0614811311
232.0405714	240.709289551	11.9946136814
240.0126434	257.438812256	12.8282506478
247.0132754	885.521759033	44.1258059708
249.0289254	1576.70782471	78.5678080026
259.0132754	527.621429443	26.2915287898
277.0238404	787.013214111	39.2170966191
281.0187554	258.13458252	12.8629210818
307.0344054	2006.81152344	100.0

RECORD_TITLE: 5_24: FTMS + p NSI d Full ms2 291.07@hcd20.00 [50.00-305.00]<#>5_24: FTMS + p NSI d Full ms2 291.07@hcd40.00 [50.00-305.00]<#>5_24: FTMS + p NSI d Full ms2 291.07@hcd80.00 [50.00-305.00]
AC$MASS_SPECTROMETRY: ION_MODE NA
MS$FOCUSED_ION: PRECURSOR_M/Z  291.070037842
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
CH$FORMULA: C10H16N3O3S2
AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE hcd
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20.00, 80.00, 40.00
PK$NUM_PEAK: 8
PK$PEAK: m/z int. rel.int.
70.0651254	1239.52301025	47.8234262312
83.0603744	603.151855469	23.2708776099
86.0964254	404.994552612	15.6255486592
93.0447244	458.628860474	17.6948739918
95.0603744	801.591166178	30.9270870215
110.0712734	2591.87412516	100.0
122.0712734	901.27532959	34.7731134332
160.0249194	1454.36535645	56.1124995357

RECORD_TITLE: 3_6: FTMS + p NSI d Full ms2 269.09@hcd40.00 [50.00-280.00]<#>3_6: FTMS + p NSI d Full ms2 269.09@hcd80.00 [50.00-280.00]
AC$MASS_SPECTROMETRY: ION_MODE NA
MS$FOCUSED_ION: PRECURSOR_M/Z  269.088043213
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
CH$FORMULA: C4H23N4OP3S
AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE hcd
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80.00, 40.00
PK$NUM_PEAK: 4
PK$PEAK: m/z int. rel.int.
70.0651254	813.814819336	34.4137990154
82.0525494	2364.79215495	100.0
83.0603744	1929.60078939	81.5970564411
85.0760244	944.649047852	39.9463879257

RECORD_TITLE: 3_8: FTMS + p NSI d Full ms2 269.09@hcd20.00 [50.00-280.00]<#>3_8: FTMS + p NSI d Full ms2 269.09@hcd40.00 [50.00-280.00]<#>3_8: FTMS + p NSI d Full ms2 269.09@hcd80.00 [50.00-280.00]
AC$MASS_SPECTROMETRY: ION_MODE NA
MS$FOCUSED_ION: PRECURSOR_M/Z  269.088043213
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
CH$FORMULA: C10H12N4O5
AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE hcd
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20.00, 80.00, 40.00
PK$NUM_PEAK: 19
PK$PEAK: m/z int. rel.int.
70.0651254	813.814819336	0.414224977049
82.0525494	2364.79215495	1.20365954617
83.0603744	1929.60078939	0.982150759249
85.0760244	944.649047852	0.480818511618
86.0964254	5916.5789388	3.01148948987
93.0447244	1327.61175537	0.675743345822
95.0603744	4523.99552409	2.30267610962
105.0447244	1210.09474691	0.615928165544
110.0236554	2863.59191895	1.45754447906
110.0712734	196466.863281	100.0
120.0807754	1089.25671387	0.554422611364
121.0396394	1337.42224121	0.680736801551
136.0756904	951.001139323	0.484051673366
137.0457874	5325.18063693	2.71047267106
138.0661884	8148.97111005	4.1477585451
150.0522764	913.132537842	0.464776870049
156.0767534	36110.8141277	18.3801041685
166.0611034	1700.64509583	0.865614214745
235.0825674	5067.24690755	2.57918654725

RECORD_TITLE: 12_7: FTMS + p NSI d Full ms2 353.04@hcd20.00 [50.00-365.00]<#>12_7: FTMS + p NSI d Full ms2 353.04@hcd40.00 [50.00-365.00]<#>12_7: FTMS + p NSI d Full ms2 353.04@hcd80.00 [50.00-365.00]
AC$MASS_SPECTROMETRY: ION_MODE NA
MS$FOCUSED_ION: PRECURSOR_M/Z  353.040466309
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
CH$FORMULA: C15H16NO3P2S
AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE hcd
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20.00, 80.00, 40.00
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
71.0127564	207.915283203	5.02537605129
76.0215474	379.493642171	9.17247751874
86.0964254	371.63130188	8.98244234674
105.0004784	396.980895996	9.59514979767
122.0270274	4137.30795628	100.0
123.0264544	532.023727417	12.8591763784
130.0498704	971.771247862	23.4880085827
136.0756904	235.365745544	5.68886213043
140.0130904	548.998168945	13.2694538271
168.0080054	682.549377441	16.4974274251
179.0021474	529.438934326	12.796701138
184.0029204	274.209452311	6.62772641555
194.0001584	438.198239645	10.5913856129
195.0076714	319.455037435	7.72132606058
196.0286964	1119.2911377	27.0536094853
200.0749394	424.174110412	10.2524181157
224.9923924	242.34072113	5.85744942583
232.0470114	2737.69018555	66.1708099681
233.0392349	530.847488403	12.8307463213
240.0126514	257.438812256	6.22237491084
277.0238484	787.013214111	19.0223503405
281.0187634	258.13458252	6.23919189114
307.0344134	2006.81152344	48.5052489359

RECORD_TITLE: 12_61: FTMS + p NSI d Full ms2 353.04@hcd20.00 [50.00-365.00]<#>12_61: FTMS + p NSI d Full ms2 353.04@hcd40.00 [50.00-365.00]<#>12_61: FTMS + p NSI d Full ms2 353.04@hcd80.00 [50.00-365.00]
AC$MASS_SPECTROMETRY: ION_MODE NA
MS$FOCUSED_ION: PRECURSOR_M/Z  353.040466309
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
CH$FORMULA: C4H145O4P2S
AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE hcd
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20.00, 80.00, 40.00
PK$NUM_PEAK: 7
PK$PEAK: m/z int. rel.int.
71.0127564	207.915283203	39.7539909025
105.0004784	396.980895996	75.9038714459
224.0177284	523.004806519	100.0
232.0405714	240.709289551	46.024297779
240.0126434	257.438812256	49.2230298933
240.0949294	309.857055664	59.2455464657
264.0172894	274.728988647	52.5289605798

RECORD_TITLE: 12_60: FTMS + p NSI d Full ms2 353.04@hcd20.00 [50.00-365.00]<#>12_60: FTMS + p NSI d Full ms2 353.04@hcd40.00 [50.00-365.00]<#>12_60: FTMS + p NSI d Full ms2 353.04@hcd80.00 [50.00-365.00]
AC$MASS_SPECTROMETRY: ION_MODE NA
MS$FOCUSED_ION: PRECURSOR_M/Z  353.040466309
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
CH$FORMULA: C11H14NO10S
AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE hcd
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20.00, 80.00, 40.00
PK$NUM_PEAK: 16
PK$PEAK: m/z int. rel.int.
71.0127564	207.915283203	5.02537605129
76.0215474	379.493642171	9.17247751874
86.0964254	371.63130188	8.98244234674
105.0004784	396.980895996	9.59514979767
122.0270274	4137.30795628	100.0
123.0262984	532.023727417	12.8591763784
130.0498704	971.771247862	23.4880085827
136.0756904	235.365745544	5.68886213043
140.0130904	548.998168945	13.2694538271
168.0080054	682.549377441	16.4974274251
169.0580904	596.368469238	14.4144084883
184.0029204	274.209452311	6.62772641555
185.0377504	330.458770752	7.98728966381
196.0247434	337.682826996	8.16189731498
224.0196584	1011.77780151	24.4549792329
264.0172524	274.728988647	6.64028376785

RECORD_TITLE: 12_27: FTMS + p NSI d Full ms2 353.04@hcd20.00 [50.00-365.00]<#>12_27: FTMS + p NSI d Full ms2 353.04@hcd40.00 [50.00-365.00]<#>12_27: FTMS + p NSI d Full ms2 353.04@hcd80.00 [50.00-365.00]
AC$MASS_SPECTROMETRY: ION_MODE NA
MS$FOCUSED_ION: PRECURSOR_M/Z  353.040466309
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
CH$FORMULA: C16H2N9O2
AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE hcd
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20.00, 80.00, 40.00
PK$NUM_PEAK: 10
PK$PEAK: m/z int. rel.int.
71.0127564	207.915283203	0.216961029292
140.0130904	548.998168945	0.572883368547
168.0080054	682.549377441	0.712244973966
177.0083394	907.049053192	0.946511931048
193.0032544	95830.7046577	100.0
195.0189044	1151.08917236	1.20116947535
196.0253864	337.682826996	0.352374354548
223.0124764	272.505996704	0.284361883467
224.0203014	1011.77780151	1.05579710086
307.0349424	2006.81152344	2.09412163941

RECORD_TITLE: 5_12: FTMS + p NSI d Full ms2 291.07@hcd20.00 [50.00-305.00]<#>5_12: FTMS + p NSI d Full ms2 291.07@hcd40.00 [50.00-305.00]<#>5_12: FTMS + p NSI d Full ms2 291.07@hcd80.00 [50.00-305.00]
AC$MASS_SPECTROMETRY: ION_MODE NA
MS$FOCUSED_ION: PRECURSOR_M/Z  291.070037842
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
CH$FORMULA: C16H10N4S
AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE hcd
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20.00, 80.00, 40.00
PK$NUM_PEAK: 7
PK$PEAK: m/z int. rel.int.
70.0651254	1239.52301025	18.3822729855
83.0603744	603.151855469	8.94481342196
93.0447244	458.628860474	6.80152029654
95.0603744	801.591166178	11.8876918924
110.0712734	2591.87412516	38.4378001205
122.0712734	901.27532959	13.3660198371
160.0307514	6743.0345052	100.0

RECORD_TITLE: 12_21: FTMS + p NSI d Full ms2 353.04@hcd20.00 [50.00-365.00]<#>12_21: FTMS + p NSI d Full ms2 353.04@hcd40.00 [50.00-365.00]<#>12_21: FTMS + p NSI d Full ms2 353.04@hcd80.00 [50.00-365.00]
AC$MASS_SPECTROMETRY: ION_MODE NA
MS$FOCUSED_ION: PRECURSOR_M/Z  353.040466309
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
CH$FORMULA: C12H13N6OPS2
AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE hcd
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20.00, 80.00, 40.00
PK$NUM_PEAK: 29
PK$PEAK: m/z int. rel.int.
76.0215474	379.493642171	4.57862039996
86.0964254	371.63130188	4.48376065094
109.0760244	364.92791748	4.40288379518
110.0712734	717.586954752	8.65774259346
123.0264544	532.023727417	6.41890777847
123.0304494	2251.09712728	27.1596624657
125.9977524	231.322723389	2.79092670492
136.0758464	235.365745544	2.83970608265
137.0458394	310.089518229	3.74125422986
139.0326024	289.75042216	3.49586144898
140.0132464	548.998168945	6.62370573981
147.9821024	247.580780029	2.98708142669
149.9977524	1465.71541341	17.6839708143
174.9930014	8288.38403321	100.0
176.0008264	234.601882935	2.83049002067
177.0084954	907.049053192	10.9436175925
179.0024434	422.887283325	5.10216806594
186.0411924	311.495994568	3.75822347662
194.0005324	438.198239645	5.28689594846
196.0252314	337.682826996	4.07416965289
196.0289144	1119.2911377	13.5043349007
197.0218234	367.898071289	4.43871893261
212.0167744	215.332168579	2.59799941359
222.0011244	4704.14200846	56.7558403377
223.0201824	6413.97005208	77.3850490805
224.0199904	1011.77780151	12.2071781116
231.0430254	1878.90701294	22.6691596988
233.0950604	496.448181152	5.98968603727
241.0307474	449.311477661	5.42097803216

RECORD_TITLE: 6_4: FTMS + p NSI d Full ms2 291.17@hcd80.00 [50.00-305.00]
AC$MASS_SPECTROMETRY: ION_MODE NA
MS$FOCUSED_ION: PRECURSOR_M/Z  291.070068359
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
CH$FORMULA: C8H6N10O3
AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE hcd
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80.00
PK$NUM_PEAK: 3
PK$PEAK: m/z int. rel.int.
84.0443904	529.194803874	60.024194767
95.0603744	849.053141276	96.3042923823
159.0261154	881.635823568	100.0

RECORD_TITLE: 6_5: FTMS + p NSI d Full ms2 291.17@hcd20.00 [50.00-305.00]<#>6_5: FTMS + p NSI d Full ms2 291.17@hcd40.00 [50.00-305.00]<#>6_5: FTMS + p NSI d Full ms2 291.17@hcd80.00 [50.00-305.00]
AC$MASS_SPECTROMETRY: ION_MODE NA
MS$FOCUSED_ION: PRECURSOR_M/Z  291.070068359
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
CH$FORMULA: C9H12N3O8
AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE hcd
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20.00, 80.00, 40.00
PK$NUM_PEAK: 8
PK$PEAK: m/z int. rel.int.
70.0651254	1306.6254069	0.189279956344
84.0443904	529.194803874	0.0766600502682
84.0807754	448.410766602	0.0649575386169
86.0964254	461.979431152	0.0669231182085
95.0603744	849.053141276	0.122995267554
110.0712734	2479.54288737	0.359190757348
122.0712734	863.803812663	0.125132074646
159.0274584	690313.666665	100.0

RECORD_TITLE: 6_6: FTMS + p NSI d Full ms2 291.17@hcd40.00 [50.00-305.00]
AC$MASS_SPECTROMETRY: ION_MODE NA
MS$FOCUSED_ION: PRECURSOR_M/Z  291.070068359
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
CH$FORMULA: C2H143N2O2P2
AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE hcd
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40.00
PK$NUM_PEAK: 1
PK$PEAK: m/z int. rel.int.
160.0306744	7667.22184245	100.0

RECORD_TITLE: 6_7: FTMS + p NSI d Full ms2 291.17@hcd40.00 [50.00-305.00]
AC$MASS_SPECTROMETRY: ION_MODE NA
MS$FOCUSED_ION: PRECURSOR_M/Z  291.070068359
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
CH$FORMULA: C3H137N6S
AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE hcd
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40.00
PK$NUM_PEAK: 1
PK$PEAK: m/z int. rel.int.
160.0306744	7667.22184245	100.0

RECORD_TITLE: 12_4: FTMS + p NSI d Full ms2 353.04@hcd20.00 [50.00-365.00]<#>12_4: FTMS + p NSI d Full ms2 353.04@hcd40.00 [50.00-365.00]<#>12_4: FTMS + p NSI d Full ms2 353.04@hcd80.00 [50.00-365.00]
AC$MASS_SPECTROMETRY: ION_MODE NA
MS$FOCUSED_ION: PRECURSOR_M/Z  353.040466309
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
CH$FORMULA: C13H16N4P4
AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE hcd
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20.00, 80.00, 40.00
PK$NUM_PEAK: 8
PK$PEAK: m/z int. rel.int.
86.0964254	371.63130188	36.7305253511
109.0760244	364.92791748	36.0679901195
110.0712734	717.586954752	70.9233740532
200.0749394	424.174110412	41.923642699
224.0197034	1011.77780151	100.0
233.0393564	530.847488403	52.4668052225
233.0950604	496.448181152	49.0669176978
240.0126514	257.438812256	25.4442044362

RECORD_TITLE: 12_5: FTMS + p NSI d Full ms2 353.04@hcd20.00 [50.00-365.00]<#>12_5: FTMS + p NSI d Full ms2 353.04@hcd40.00 [50.00-365.00]<#>12_5: FTMS + p NSI d Full ms2 353.04@hcd80.00 [50.00-365.00]
AC$MASS_SPECTROMETRY: ION_MODE NA
MS$FOCUSED_ION: PRECURSOR_M/Z  353.040466309
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
CH$FORMULA: C3H137N7OS2
AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE hcd
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20.00, 80.00, 40.00
PK$NUM_PEAK: 3
PK$PEAK: m/z int. rel.int.
76.0215474	379.493642171	89.4664791781
110.0793604	240.905975342	56.794125202
200.0746634	424.174110412	100.0

RECORD_TITLE: 6_2: FTMS + p NSI d Full ms2 291.17@hcd40.00 [50.00-305.00]<#>6_2: FTMS + p NSI d Full ms2 291.17@hcd80.00 [50.00-305.00]
AC$MASS_SPECTROMETRY: ION_MODE NA
MS$FOCUSED_ION: PRECURSOR_M/Z  291.070068359
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
CH$FORMULA: C4H17N7O2PS2
AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE hcd
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80.00, 40.00
PK$NUM_PEAK: 3
PK$PEAK: m/z int. rel.int.
70.0651254	1306.6254069	100.0
84.0443904	529.194803874	40.5008812074
195.0879644	589.808929443	45.13986383

RECORD_TITLE: 6_3: FTMS + p NSI d Full ms2 291.17@hcd40.00 [50.00-305.00]
AC$MASS_SPECTROMETRY: ION_MODE NA
MS$FOCUSED_ION: PRECURSOR_M/Z  291.070068359
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
CH$FORMULA: C5H23O7PS2
AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE hcd
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40.00
PK$NUM_PEAK: 1
PK$PEAK: m/z int. rel.int.
159.0273034	1103430.95833	100.0

RECORD_TITLE: 12_8: FTMS + p NSI d Full ms2 353.04@hcd20.00 [50.00-365.00]<#>12_8: FTMS + p NSI d Full ms2 353.04@hcd40.00 [50.00-365.00]<#>12_8: FTMS + p NSI d Full ms2 353.04@hcd80.00 [50.00-365.00]
AC$MASS_SPECTROMETRY: ION_MODE NA
MS$FOCUSED_ION: PRECURSOR_M/Z  353.040466309
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
CH$FORMULA: H20N9O3P2S3
AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE hcd
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20.00, 80.00, 40.00
PK$NUM_PEAK: 9
PK$PEAK: m/z int. rel.int.
123.0304494	2251.09712728	13.9202532682
179.9947104	230.910499573	1.4278960234
186.0414269	311.495994568	1.92621770241
197.0212594	464.43107605	2.87193214628
211.0143504	16171.3805339	100.0
224.0178414	523.004806519	3.23413826929
232.0406154	240.709289551	1.48848942764
233.0389244	530.847488403	3.28263556281
240.0127564	257.438812256	1.59194084708

RECORD_TITLE: 12_9: FTMS + p NSI d Full ms2 353.04@hcd20.00 [50.00-365.00]<#>12_9: FTMS + p NSI d Full ms2 353.04@hcd40.00 [50.00-365.00]<#>12_9: FTMS + p NSI d Full ms2 353.04@hcd80.00 [50.00-365.00]
AC$MASS_SPECTROMETRY: ION_MODE NA
MS$FOCUSED_ION: PRECURSOR_M/Z  353.040466309
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
CH$FORMULA: CH26N2O8P2S3
AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE hcd
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20.00, 80.00, 40.00
PK$NUM_PEAK: 13
PK$PEAK: m/z int. rel.int.
110.0793604	240.905975342	12.0044145914
137.0456324	310.089518229	15.4518505902
169.0584024	596.368469238	29.717213713
177.9994114	624.539642334	31.1209914354
179.9947174	230.910499573	11.5063371361
186.0416674	311.495994568	15.5219357139
197.0212664	464.43107605	23.142735161
199.0714914	412.669647217	20.5634481563
223.0130144	272.505996704	13.5790528169
231.0435634	1878.90701294	93.6264811615
232.0406224	240.709289551	11.9946136814
233.0389314	530.847488403	26.4522842431
307.0344564	2006.81152344	100.0

RECORD_TITLE: 6_8: FTMS + p NSI d Full ms2 291.17@hcd20.00 [50.00-305.00]<#>6_8: FTMS + p NSI d Full ms2 291.17@hcd40.00 [50.00-305.00]
AC$MASS_SPECTROMETRY: ION_MODE NA
MS$FOCUSED_ION: PRECURSOR_M/Z  291.070068359
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
CH$FORMULA: C15H16O2P2
AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE hcd
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20.00, 40.00
PK$NUM_PEAK: 1
PK$PEAK: m/z int. rel.int.
160.0307514	6408.85164388	100.0

RECORD_TITLE: 10_1: FTMS + p NSI d Full ms2 138.05@hcd40.00 [50.00-150.00]<#>10_1: FTMS + p NSI d Full ms2 138.05@hcd80.00 [50.00-150.00]
AC$MASS_SPECTROMETRY: ION_MODE NA
MS$FOCUSED_ION: PRECURSOR_M/Z  138.049163818
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
CH$FORMULA: H13N2O2S2
AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE hcd
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80.00, 40.00
PK$NUM_PEAK: 2
PK$PEAK: m/z int. rel.int.
120.0385584	24575.8675232	100.0
121.0225744	968.931233724	3.94261253569

RECORD_TITLE: 7_1: FTMS + p NSI d Full ms2 138.03@hcd40.00 [50.00-150.00]<#>7_1: FTMS + p NSI d Full ms2 138.03@hcd80.00 [50.00-150.00]
AC$MASS_SPECTROMETRY: ION_MODE NA
MS$FOCUSED_ION: PRECURSOR_M/Z  138.049194336
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
CH$FORMULA: H13N2O2S2
AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE hcd
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80.00, 40.00
PK$NUM_PEAK: 1
PK$PEAK: m/z int. rel.int.
120.0385584	20355.4366354	100.0

RECORD_TITLE: 6_23: FTMS + p NSI d Full ms2 291.17@hcd20.00 [50.00-305.00]<#>6_23: FTMS + p NSI d Full ms2 291.17@hcd40.00 [50.00-305.00]<#>6_23: FTMS + p NSI d Full ms2 291.17@hcd80.00 [50.00-305.00]
AC$MASS_SPECTROMETRY: ION_MODE NA
MS$FOCUSED_ION: PRECURSOR_M/Z  291.070068359
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
CH$FORMULA: C10H16N3O3S2
AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE hcd
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20.00, 80.00, 40.00
PK$NUM_PEAK: 9
PK$PEAK: m/z int. rel.int.
70.0651254	1306.6254069	52.6962212896
84.0443904	529.194803874	21.3424339853
84.0807754	448.410766602	18.0844126103
86.0964254	461.979431152	18.6316370451
95.0603744	849.053141276	34.2423252931
110.0712734	2479.54288737	100.0
122.0712734	863.803812663	34.8372200805
159.0262984	881.635823568	35.5563853345
160.0249194	1351.09112549	54.4895243543

RECORD_TITLE: 6_22: FTMS + p NSI d Full ms2 291.17@hcd40.00 [50.00-305.00]<#>6_22: FTMS + p NSI d Full ms2 291.17@hcd80.00 [50.00-305.00]
AC$MASS_SPECTROMETRY: ION_MODE NA
MS$FOCUSED_ION: PRECURSOR_M/Z  291.070068359
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
CH$FORMULA: C8H16N6P2S
AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE hcd
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80.00, 40.00
PK$NUM_PEAK: 6
PK$PEAK: m/z int. rel.int.
70.0651254	1306.6254069	52.6962212896
84.0807754	448.410766602	18.0844126103
86.0964254	461.979431152	18.6316370451
95.0603744	849.053141276	34.2423252931
110.0712734	2479.54288737	100.0
122.0712734	863.803812663	34.8372200805

RECORD_TITLE: 6_21: FTMS + p NSI d Full ms2 291.17@hcd80.00 [50.00-305.00]
AC$MASS_SPECTROMETRY: ION_MODE NA
MS$FOCUSED_ION: PRECURSOR_M/Z  291.070068359
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
CH$FORMULA: C7H22N2O2P4
AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE hcd
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80.00
PK$NUM_PEAK: 6
PK$PEAK: m/z int. rel.int.
70.0651254	1306.6254069	100.0
84.0443904	529.194803874	40.5008812074
84.0807754	448.410766602	34.3182341499
86.0964254	461.979431152	35.3566851457
95.0603744	849.053141276	64.9806085809
195.0364384	1296.77543132	99.2461515345

RECORD_TITLE: 6_20: FTMS + p NSI d Full ms2 291.17@hcd80.00 [50.00-305.00]
AC$MASS_SPECTROMETRY: ION_MODE NA
MS$FOCUSED_ION: PRECURSOR_M/Z  291.070068359
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
CH$FORMULA: C6H27O2PS4
AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE hcd
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80.00
PK$NUM_PEAK: 1
PK$PEAK: m/z int. rel.int.
195.0364144	1296.77543132	100.0

RECORD_TITLE: 12_18: FTMS + p NSI d Full ms2 353.04@hcd20.00 [50.00-365.00]<#>12_18: FTMS + p NSI d Full ms2 353.04@hcd40.00 [50.00-365.00]<#>12_18: FTMS + p NSI d Full ms2 353.04@hcd80.00 [50.00-365.00]
AC$MASS_SPECTROMETRY: ION_MODE NA
MS$FOCUSED_ION: PRECURSOR_M/Z  353.040466309
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
CH$FORMULA: C10H24O3S5
AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE hcd
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20.00, 80.00, 40.00
PK$NUM_PEAK: 14
PK$PEAK: m/z int. rel.int.
71.0127564	207.915283203	0.811536537739
105.0004784	396.980895996	1.54949889648
110.0793604	240.905975342	0.940306061863
123.0262984	532.023727417	2.07659911812
186.0412624	311.495994568	1.2158335696
194.0065904	1652.79308065	6.45119470588
196.0289844	1119.2911377	4.36882580547
229.0241364	266.182261149	1.03896465566
232.0408674	240.709289551	0.939538356366
239.0084864	25619.9534506	100.0
263.0084864	671.352722168	2.62042912554
277.0241364	787.013214111	3.07187605017
281.0190514	258.13458252	1.00755289434
307.0347014	2006.81152344	7.8330022235

RECORD_TITLE: 12_19: FTMS + p NSI d Full ms2 353.04@hcd40.00 [50.00-365.00]
AC$MASS_SPECTROMETRY: ION_MODE NA
MS$FOCUSED_ION: PRECURSOR_M/Z  353.040466309
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
CH$FORMULA: H146NO6PS2
AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE hcd
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40.00
PK$NUM_PEAK: 2
PK$PEAK: m/z int. rel.int.
232.0408834	240.709289551	45.3443399111
233.0391924	530.847488403	100.0

RECORD_TITLE: 12_12: FTMS + p NSI d Full ms2 353.04@hcd20.00 [50.00-365.00]<#>12_12: FTMS + p NSI d Full ms2 353.04@hcd40.00 [50.00-365.00]<#>12_12: FTMS + p NSI d Full ms2 353.04@hcd80.00 [50.00-365.00]
AC$MASS_SPECTROMETRY: ION_MODE NA
MS$FOCUSED_ION: PRECURSOR_M/Z  353.040466309
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
CH$FORMULA: C3H15N8O6P3
AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE hcd
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20.00, 80.00, 40.00
PK$NUM_PEAK: 29
PK$PEAK: m/z int. rel.int.
71.0127564	207.915283203	6.07030584538
123.0304494	2251.09712728	65.7231533908
124.0227074	796.784576416	23.262965556
137.0460994	320.305679321	9.35166192469
156.0770654	1264.3899231	36.91519653
169.0582429	596.368469238	17.4116060592
179.0024594	422.887283325	12.3466399793
179.9947139	230.910499573	6.74167542532
186.0416639	311.495994568	9.09445389251
196.0290084	1119.2911377	32.6788845494
197.0212629	464.43107605	13.559554797
200.0751374	336.69682312	9.83021864492
223.0131004	272.505996704	7.95609980762
224.0195894	1011.77780151	29.5399193754
224.0239234	3425.1203893	100.0
224.9923654	242.34072113	7.07539279165
225.0161744	2299.60510254	67.1393948582
231.0436494	1878.90701294	54.8566706972
232.0402414	240.709289551	7.0277614271
232.0471404	2737.69018555	79.9297506183
233.0393984	530.847488403	15.4986519616
233.0952584	426.534858704	12.4531347872
247.0134124	2169.64108785	63.3449584613
249.0290624	1576.70782471	46.0336468649
259.0134124	527.621429443	15.4044637698
263.0083274	671.352722168	19.6008503603
277.0239774	787.013214111	22.9776803341
281.0188924	258.13458252	7.53651122239
307.0345424	2006.81152344	58.5909776984

RECORD_TITLE: 12_13: FTMS + p NSI d Full ms2 353.04@hcd20.00 [50.00-365.00]<#>12_13: FTMS + p NSI d Full ms2 353.04@hcd40.00 [50.00-365.00]<#>12_13: FTMS + p NSI d Full ms2 353.04@hcd80.00 [50.00-365.00]
AC$MASS_SPECTROMETRY: ION_MODE NA
MS$FOCUSED_ION: PRECURSOR_M/Z  353.040466309
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
CH$FORMULA: C4H21NO11P3
AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE hcd
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20.00, 80.00, 40.00
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
71.0127564	207.915283203	7.59455121331
169.0580904	596.368469238	21.7836361611
179.0024594	422.887283325	15.4468641323
179.9947174	230.910499573	8.43450076244
185.0377504	330.458770752	12.0707146666
186.0416674	311.495994568	11.3780586354
197.0212664	464.43107605	16.9643401763
223.0131074	272.505996704	9.95386542067
224.9923724	242.34072113	8.85201409603
225.0161814	2299.60510254	83.9980036705
232.0471474	2737.69018555	100.0
233.0952654	426.534858704	15.5800996386
235.0134194	866.191558837	31.6395026512
247.0134194	2169.64108785	79.2507895637
249.0290694	1576.70782471	57.5926316657
259.0134194	527.621429443	19.2725032302
263.0083344	671.352722168	24.5225966661
277.0239844	787.013214111	28.7473439568
281.0188994	258.13458252	9.42891872437
307.0345494	2006.81152344	73.3030908331

RECORD_TITLE: 12_10: FTMS + p NSI d Full ms2 353.04@hcd20.00 [50.00-365.00]<#>12_10: FTMS + p NSI d Full ms2 353.04@hcd40.00 [50.00-365.00]<#>12_10: FTMS + p NSI d Full ms2 353.04@hcd80.00 [50.00-365.00]
AC$MASS_SPECTROMETRY: ION_MODE NA
MS$FOCUSED_ION: PRECURSOR_M/Z  353.040466309
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
CH$FORMULA: C16H10N5OS2
AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE hcd
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20.00, 80.00, 40.00
PK$NUM_PEAK: 14
PK$PEAK: m/z int. rel.int.
76.0215474	379.493642171	33.9048197015
109.0760244	364.92791748	32.603484937
110.0712734	717.586954752	64.1108403868
123.0262984	532.023727417	47.5322022572
136.0756904	235.365745544	21.0281076672
137.0457874	310.089518229	27.7040984053
139.0324464	289.75042216	25.8869575932
140.0130904	548.998168945	49.048737228
177.0083394	907.049053192	81.0378124728
179.0022094	529.438934326	47.3012710004
186.0410364	311.495994568	27.8297561802
196.0251529	337.682826996	30.1693469753
196.0287584	1119.2911377	100.0
224.0198344	1011.77780151	90.3945155495

RECORD_TITLE: 12_11: FTMS + p NSI d Full ms2 353.04@hcd20.00 [50.00-365.00]<#>12_11: FTMS + p NSI d Full ms2 353.04@hcd40.00 [50.00-365.00]<#>12_11: FTMS + p NSI d Full ms2 353.04@hcd80.00 [50.00-365.00]
AC$MASS_SPECTROMETRY: ION_MODE NA
MS$FOCUSED_ION: PRECURSOR_M/Z  353.040466309
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
CH$FORMULA: C2H20N6O6S4
AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE hcd
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20.00, 80.00, 40.00
PK$NUM_PEAK: 18
PK$PEAK: m/z int. rel.int.
76.0215474	379.493642171	11.0797168869
110.0793604	240.905975342	7.03350387608
124.0227074	796.784576416	23.262965556
179.0029024	316.335632324	9.235752218
179.9947794	230.910499573	6.74167542532
186.0412624	311.495994568	9.09445389251
196.0289844	1119.2911377	32.6788845494
197.0213284	464.43107605	13.559554797
199.0715534	412.669647217	12.0483253233
221.9956734	680.385131836	19.8645610812
224.0178414	523.004806519	15.2696765974
224.0238994	3425.1203893	100.0
231.0436254	1878.90701294	54.8566706972
232.0404509	240.709289551	7.0277614271
240.0127564	257.438812256	7.51619747616
259.0133884	527.621429443	15.4044637698
277.0239534	787.013214111	22.9776803341
307.0345184	2006.81152344	58.5909776984

RECORD_TITLE: 12_16: FTMS + p NSI d Full ms2 353.04@hcd20.00 [50.00-365.00]<#>12_16: FTMS + p NSI d Full ms2 353.04@hcd40.00 [50.00-365.00]<#>12_16: FTMS + p NSI d Full ms2 353.04@hcd80.00 [50.00-365.00]
AC$MASS_SPECTROMETRY: ION_MODE NA
MS$FOCUSED_ION: PRECURSOR_M/Z  353.040466309
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
CH$FORMULA: C9H19N5P5
AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE hcd
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20.00, 80.00, 40.00
PK$NUM_PEAK: 6
PK$PEAK: m/z int. rel.int.
86.0964254	371.63130188	36.7305253511
109.0760244	364.92791748	36.0679901195
110.0712734	717.586954752	70.9233740532
224.0198594	1011.77780151	100.0
233.0395124	530.847488403	52.4668052225
233.0953724	426.534858704	42.1569694519

RECORD_TITLE: 12_17: FTMS + p NSI d Full ms2 353.04@hcd20.00 [50.00-365.00]<#>12_17: FTMS + p NSI d Full ms2 353.04@hcd40.00 [50.00-365.00]
AC$MASS_SPECTROMETRY: ION_MODE NA
MS$FOCUSED_ION: PRECURSOR_M/Z  353.040466309
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
CH$FORMULA: C14H136OP
AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE hcd
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20.00, 40.00
PK$NUM_PEAK: 1
PK$PEAK: m/z int. rel.int.
200.0749394	424.174110412	100.0

RECORD_TITLE: 12_14: FTMS + p NSI d Full ms2 353.04@hcd20.00 [50.00-365.00]<#>12_14: FTMS + p NSI d Full ms2 353.04@hcd40.00 [50.00-365.00]<#>12_14: FTMS + p NSI d Full ms2 353.04@hcd80.00 [50.00-365.00]
AC$MASS_SPECTROMETRY: ION_MODE NA
MS$FOCUSED_ION: PRECURSOR_M/Z  353.040466309
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
CH$FORMULA: C5H15N5O9PS
AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE hcd
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20.00, 80.00, 40.00
PK$NUM_PEAK: 42
PK$PEAK: m/z int. rel.int.
71.0127564	207.915283203	0.0949292619074
76.0215474	379.493642171	0.173267932953
86.0964254	371.63130188	0.169678172021
105.0004784	396.980895996	0.181252204589
110.0712734	717.586954752	0.327633442427
122.0270274	4137.30795628	1.88899817523
123.0266104	532.023727417	0.242909607138
123.0304494	2251.09712728	1.02779836808
124.0227074	796.784576416	0.363793226612
125.9977524	231.322723389	0.105616552355
130.0498704	971.771247862	0.443688053525
136.0760024	235.365745544	0.107462501835
137.0458394	310.089518229	0.141579631075
139.0327584	289.75042216	0.132293274882
140.0134024	548.998168945	0.250659740658
156.0770654	1264.3899231	0.577290905767
169.0582464	596.368469238	0.272287913315
179.0025214	422.887283325	0.193080455932
179.9947794	230.910499573	0.105428340589
185.0382384	330.458770752	0.150879756
195.0073334	319.455037435	0.145855708388
196.0247434	337.682826996	0.154178091344
197.0213284	464.43107605	0.212048381327
199.0716464	412.669647217	0.188415321944
200.0751374	336.69682312	0.153727905005
220.9978314	219021.278608	100.0
223.0131694	272.505996704	0.124419873008
224.0196584	1011.77780151	0.461954111463
224.9924344	242.34072113	0.110647112769
225.0162434	2299.60510254	1.04994597655
231.0437184	1878.90701294	0.85786505534
232.0403104	240.709289551	0.109902239216
233.0390864	530.847488403	0.242372563879
235.0134814	866.191558837	0.395482833605
239.0083964	25619.9534506	11.6974723248
247.0134814	2169.64108785	0.990607443093
249.0291314	1576.70782471	0.719887964644
259.0134814	527.621429443	0.240899620711
263.0083964	671.352722168	0.30652397175
277.0240464	787.013214111	0.359331850819
281.0189614	258.13458252	0.117858220973
307.0346114	2006.81152344	0.916263267291

RECORD_TITLE: 12_15: FTMS + p NSI d Full ms2 353.04@hcd20.00 [50.00-365.00]<#>12_15: FTMS + p NSI d Full ms2 353.04@hcd40.00 [50.00-365.00]<#>12_15: FTMS + p NSI d Full ms2 353.04@hcd80.00 [50.00-365.00]
AC$MASS_SPECTROMETRY: ION_MODE NA
MS$FOCUSED_ION: PRECURSOR_M/Z  353.040466309
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
CH$FORMULA: C8H24N3P2S4
AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE hcd
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20.00, 80.00, 40.00
PK$NUM_PEAK: 18
PK$PEAK: m/z int. rel.int.
76.0215474	379.493642171	4.57862039996
86.0964254	371.63130188	4.48376065094
109.0760244	364.92791748	4.40288379518
110.0712734	717.586954752	8.65774259346
123.0264544	532.023727417	6.41890777847
137.0456324	310.089518229	3.74125422986
139.0326024	289.75042216	3.49586144898
174.9928464	8288.38403321	100.0
176.0006714	234.601882935	2.83049002067
177.0084964	907.049053192	10.9436175925
184.0031394	274.209452311	3.30835843528
186.0411934	311.495994568	3.75822347662
194.0002214	438.198239645	5.28689594846
194.0065214	1652.79308065	19.9410774649
195.0078904	319.455037435	3.85424994975
196.0252314	337.682826996	4.07416965289
196.0286034	720.052612305	8.6874909442
233.0394884	530.847488403	6.404716363