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comparison test-data/A06_spec_trees_non_merged_pls.msp @ 0:fd5c0b39569a draft

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"planemo upload for repository https://github.com/computational-metabolomics/metfrag-galaxy commit e20ce56f23d9fe30df64542ece2295d654ca142d"
author computational-metabolomics
date Wed, 05 Feb 2020 12:30:06 -0500
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comparison
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-1:000000000000 0:fd5c0b39569a
1 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]
2 AC$MASS_SPECTROMETRY: ION_MODE NA
3 MS$FOCUSED_ION: PRECURSOR_M/Z 137.045837402
4 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
5 CH$FORMULA: C5H4N4O
6 AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE hcd
7 AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80.00, 40.00
8 PK$NUM_PEAK: 7
9 PK$PEAK: m/z int. rel.int.
10 55.0290744 22578.4091797 1.72798505995
11 67.0290744 17079.2054036 1.30711652616
12 92.0243234 35477.718099 2.71520311056
13 94.0399734 458944.325358 35.1242167353
14 110.0348884 1306632.19857 100.0
15 119.0352224 894649.196291 68.4698568788
16 120.0192384 35990.6210938 2.75445692623
17
18 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]
19 AC$MASS_SPECTROMETRY: ION_MODE NA
20 MS$FOCUSED_ION: PRECURSOR_M/Z 137.045837402
21 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
22 CH$FORMULA: CH15NPS2
23 AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE hcd
24 AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80.00, 40.00
25 PK$NUM_PEAK: 2
26 PK$PEAK: m/z int. rel.int.
27 110.0347334 1306632.19857 100.0
28 120.0190834 35990.6210938 2.75445692623
29
30 RECORD_TITLE: 3_14: FTMS + p NSI d Full ms2 269.09@hcd40.00 [50.00-280.00]
31 AC$MASS_SPECTROMETRY: ION_MODE NA
32 MS$FOCUSED_ION: PRECURSOR_M/Z 269.088043213
33 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
34 CH$FORMULA: CH146NO2PS
35 AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE hcd
36 AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40.00
37 PK$NUM_PEAK: 1
38 PK$PEAK: m/z int. rel.int.
39 235.0829854 5067.24690755 100.0
40
41 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]
42 AC$MASS_SPECTROMETRY: ION_MODE NA
43 MS$FOCUSED_ION: PRECURSOR_M/Z 269.088043213
44 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
45 CH$FORMULA: C2H26N2O4P2S2
46 AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE hcd
47 AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20.00, 80.00, 40.00
48 PK$NUM_PEAK: 6
49 PK$PEAK: m/z int. rel.int.
50 137.0456324 5325.18063693 14.7467753513
51 138.0660334 8148.97111005 22.5665671265
52 156.0765984 36110.8141277 100.0
53 161.0603304 1948.28767904 5.39530255993
54 171.0636884 3805.06982422 10.5372030959
55 235.0827244 5067.24690755 14.0324914571
56
57 RECORD_TITLE: 3_10: FTMS + p NSI d Full ms2 269.09@hcd40.00 [50.00-280.00]
58 AC$MASS_SPECTROMETRY: ION_MODE NA
59 MS$FOCUSED_ION: PRECURSOR_M/Z 269.088043213
60 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
61 CH$FORMULA: C5H143O2S
62 AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE hcd
63 AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40.00
64 PK$NUM_PEAK: 1
65 PK$PEAK: m/z int. rel.int.
66 235.0826734 5067.24690755 100.0
67
68 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]
69 AC$MASS_SPECTROMETRY: ION_MODE NA
70 MS$FOCUSED_ION: PRECURSOR_M/Z 269.088043213
71 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
72 CH$FORMULA: C6H15N5O5P
73 AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE hcd
74 AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20.00, 80.00, 40.00
75 PK$NUM_PEAK: 18
76 PK$PEAK: m/z int. rel.int.
77 70.0651254 813.814819336 0.414224977049
78 82.0525494 2364.79215495 1.20365954617
79 83.0603744 1929.60078939 0.982150759249
80 85.0760244 944.649047852 0.480818511618
81 86.0964254 5916.5789388 3.01148948987
82 93.0447244 1327.61175537 0.675743345822
83 95.0603744 4523.99552409 2.30267610962
84 105.0447244 1210.09474691 0.615928165544
85 110.0236554 2863.59191895 1.45754447906
86 110.0712734 196466.863281 100.0
87 121.0396394 1337.42224121 0.680736801551
88 137.0458394 5325.18063693 2.71047267106
89 138.0661884 8148.97111005 4.1477585451
90 150.0524324 913.132537842 0.464776870049
91 156.0769094 36110.8141277 18.3801041685
92 161.0600184 1948.28767904 0.991662230719
93 166.0614154 959.693511963 0.488476018772
94 235.0828794 5067.24690755 2.57918654725
95
96 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]
97 AC$MASS_SPECTROMETRY: ION_MODE NA
98 MS$FOCUSED_ION: PRECURSOR_M/Z 269.088043213
99 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
100 CH$FORMULA: C3H20N6O2S3
101 AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE hcd
102 AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20.00, 80.00, 40.00
103 PK$NUM_PEAK: 5
104 PK$PEAK: m/z int. rel.int.
105 128.9860924 1063.96577962 20.9969200047
106 156.9810074 1116.32675171 22.030241906
107 161.0603924 1948.28767904 38.4486431111
108 174.9915724 1286.18322754 25.3822884696
109 235.0827864 5067.24690755 100.0
110
111 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]
112 AC$MASS_SPECTROMETRY: ION_MODE NA
113 MS$FOCUSED_ION: PRECURSOR_M/Z 291.070068359
114 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
115 CH$FORMULA: C12H13N5PS
116 AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE hcd
117 AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20.00, 80.00, 40.00
118 PK$NUM_PEAK: 8
119 PK$PEAK: m/z int. rel.int.
120 70.0651254 1306.6254069 20.3878242079
121 84.0807754 448.410766602 6.99674124974
122 86.0964254 461.979431152 7.20845881326
123 95.0603744 849.053141276 13.2481322467
124 110.0712734 2479.54288737 38.6893475641
125 122.0712734 863.803812663 13.4782931586
126 159.0262984 881.635823568 13.7565335033
127 160.0310634 6408.85164388 100.0
128
129 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]
130 AC$MASS_SPECTROMETRY: ION_MODE NA
131 MS$FOCUSED_ION: PRECURSOR_M/Z 291.070068359
132 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
133 CH$FORMULA: CH18N5O8P2
134 AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE hcd
135 AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20.00, 80.00, 40.00
136 PK$NUM_PEAK: 2
137 PK$PEAK: m/z int. rel.int.
138 159.0277704 690313.666665 100.0
139 160.0243624 1548.72374471 0.224350729168
140
141 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]
142 AC$MASS_SPECTROMETRY: ION_MODE NA
143 MS$FOCUSED_ION: PRECURSOR_M/Z 353.040466309
144 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
145 CH$FORMULA: C3H32N2S8
146 AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE hcd
147 AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20.00, 80.00, 40.00
148 PK$NUM_PEAK: 3
149 PK$PEAK: m/z int. rel.int.
150 76.0215474 379.493642171 20.1975744173
151 199.0710864 412.669647217 21.963282077
152 231.0431584 1878.90701294 100.0
153
154 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]
155 AC$MASS_SPECTROMETRY: ION_MODE NA
156 MS$FOCUSED_ION: PRECURSOR_M/Z 291.070068359
157 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
158 CH$FORMULA: C11H19NO2P3
159 AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE hcd
160 AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20.00, 80.00, 40.00
161 PK$NUM_PEAK: 6
162 PK$PEAK: m/z int. rel.int.
163 70.0651254 1306.6254069 20.3878242079
164 84.0443904 529.194803874 8.25724846321
165 84.0807754 448.410766602 6.99674124974
166 86.0964254 461.979431152 7.20845881326
167 160.0310634 6408.85164388 100.0
168 195.0361264 1296.77543132 20.234130908
169
170 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]
171 AC$MASS_SPECTROMETRY: ION_MODE NA
172 MS$FOCUSED_ION: PRECURSOR_M/Z 353.040466309
173 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
174 CH$FORMULA: C4H135N4O7
175 AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE hcd
176 AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20.00, 80.00, 40.00
177 PK$NUM_PEAK: 14
178 PK$PEAK: m/z int. rel.int.
179 71.0127564 207.915283203 9.58293444788
180 124.0227074 796.784576416 36.7242573381
181 169.0580904 596.368469238 27.486964207
182 200.0751374 336.69682312 15.5185493585
183 232.0405714 240.709289551 11.0944289772
184 235.0137424 866.191558837 39.9232648979
185 247.0137424 2169.64108785 100.0
186 249.0293924 1576.70782471 72.6713664089
187 259.0137424 527.621429443 24.3183737807
188 263.0086574 671.352722168 30.9430313579
189 264.0164824 274.728988647 12.662416387
190 277.0243074 787.013214111 36.2738896547
191 281.0192224 258.13458252 11.8975707072
192 307.0348724 2006.81152344 92.4950921457
193
194 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]
195 AC$MASS_SPECTROMETRY: ION_MODE NA
196 MS$FOCUSED_ION: PRECURSOR_M/Z 291.070068359
197 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
198 CH$FORMULA: C5H15N4O8P
199 AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE hcd
200 AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20.00, 80.00, 40.00
201 PK$NUM_PEAK: 10
202 PK$PEAK: m/z int. rel.int.
203 70.0651254 1306.6254069 0.189279956344
204 84.0443904 529.194803874 0.0766600502682
205 84.0807754 448.410766602 0.0649575386169
206 86.0964254 461.979431152 0.0669231182085
207 95.0603744 849.053141276 0.122995267554
208 110.0712734 2479.54288737 0.359190757348
209 159.0276144 690313.666665 100.0
210 160.0243624 1548.72374471 0.224350729168
211 177.0254474 1312.18778483 0.190085731776
212 195.0360124 1296.77543132 0.187853072297
213
214 RECORD_TITLE: 6_10: FTMS + p NSI d Full ms2 291.17@hcd40.00 [50.00-305.00]
215 AC$MASS_SPECTROMETRY: ION_MODE NA
216 MS$FOCUSED_ION: PRECURSOR_M/Z 291.070068359
217 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
218 CH$FORMULA: CH26NO7P2S2
219 AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE hcd
220 AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40.00
221 PK$NUM_PEAK: 1
222 PK$PEAK: m/z int. rel.int.
223 159.0273034 1103430.95833 100.0
224
225 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]
226 AC$MASS_SPECTROMETRY: ION_MODE NA
227 MS$FOCUSED_ION: PRECURSOR_M/Z 353.040466309
228 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
229 CH$FORMULA: C11H19N2O3P3S
230 AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE hcd
231 AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20.00, 80.00, 40.00
232 PK$NUM_PEAK: 40
233 PK$PEAK: m/z int. rel.int.
234 71.0127564 207.915283203 0.216961029292
235 76.0215474 379.493642171 0.396004228004
236 86.0964254 371.63130188 0.387799821787
237 105.0004784 396.980895996 0.414252297751
238 109.0760244 364.92791748 0.38080479402
239 122.0270274 4137.30795628 4.31730933322
240 123.0264544 532.023727417 0.555170421962
241 125.9977524 231.322723389 0.241386854261
242 130.0498704 971.771247862 1.01404998673
243 136.0758464 235.365745544 0.245605775711
244 139.0324464 289.75042216 0.302356560139
245 140.0132464 548.998168945 0.572883368547
246 147.9821024 247.580780029 0.258352248283
247 149.9977524 1465.71541341 1.52948412374
248 165.9926674 587.422119141 0.612979025083
249 168.0081614 682.549377441 0.712244973966
250 177.0083394 907.049053192 0.946511931048
251 179.0023814 422.887283325 0.441285791266
252 184.0030764 274.209452311 0.286139451119
253 185.0379264 330.458770752 0.344836002127
254 193.0032544 95830.7046577 100.0
255 194.0003144 438.198239645 0.457262879585
256 195.0189044 1151.08917236 1.20116947535
257 196.0288524 1119.2911377 1.16798800728
258 211.0138194 18398.1219075 19.1985668615
259 212.0167744 215.332168579 0.224700600239
260 222.0011244 4704.14200846 4.90880456871
261 223.0201204 6413.97005208 6.69302190252
262 224.9925484 242.34072113 0.25288421075
263 229.0241604 266.182261149 0.277763021883
264 233.0393909 530.847488403 0.553943008453
265 233.0954414 426.534858704 0.445092061283
266 239.0085104 25619.9534506 26.734597791
267 240.0116894 463.496749878 0.483662049166
268 241.0306854 449.311477661 0.468859619958
269 263.0085104 671.352722168 0.700561187112
270 264.0163354 274.728988647 0.286681590862
271 277.0241604 787.013214111 0.821253706651
272 281.0190754 258.13458252 0.269365213834
273 307.0347254 2006.81152344 2.09412163941
274
275 RECORD_TITLE: 6_18: FTMS + p NSI d Full ms2 291.17@hcd80.00 [50.00-305.00]
276 AC$MASS_SPECTROMETRY: ION_MODE NA
277 MS$FOCUSED_ION: PRECURSOR_M/Z 291.070068359
278 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
279 CH$FORMULA: C2H12N9O6S
280 AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE hcd
281 AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80.00
282 PK$NUM_PEAK: 1
283 PK$PEAK: m/z int. rel.int.
284 159.0261154 881.635823568 100.0
285
286 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]
287 AC$MASS_SPECTROMETRY: ION_MODE NA
288 MS$FOCUSED_ION: PRECURSOR_M/Z 353.040466309
289 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
290 CH$FORMULA: C4H27N4P3S4
291 AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE hcd
292 AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20.00, 80.00, 40.00
293 PK$NUM_PEAK: 19
294 PK$PEAK: m/z int. rel.int.
295 76.0215474 379.493642171 2.06267598442
296 123.0266104 532.023727417 2.8917284606
297 137.0456324 310.089518229 1.6854411542
298 139.0327584 289.75042216 1.57489130475
299 174.9928464 8288.38403321 45.050163679
300 176.0006714 234.601882935 1.27514038723
301 177.0084964 907.049053192 4.93011763782
302 184.0031394 274.209452311 1.49042089018
303 186.0411934 311.495994568 1.69308582764
304 194.0003774 438.198239645 2.38175527832
305 194.0066774 1652.79308065 8.98348803729
306 196.0286034 720.052612305 3.91372888996
307 199.0711104 412.669647217 2.24299876526
308 211.0140384 18398.1219075 100.0
309 212.0169314 248.35995992 1.34992017755
310 222.0012814 4704.14200846 25.5685989695
311 231.0431824 1878.90701294 10.212493549
312 233.0956604 426.534858704 2.31836086774
313 241.0309044 449.311477661 2.44215947649
314
315 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]
316 AC$MASS_SPECTROMETRY: ION_MODE NA
317 MS$FOCUSED_ION: PRECURSOR_M/Z 291.070037842
318 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
319 CH$FORMULA: C4H17N7O2PS2
320 AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE hcd
321 AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80.00, 40.00
322 PK$NUM_PEAK: 3
323 PK$PEAK: m/z int. rel.int.
324 70.0651254 1239.52301025 100.0
325 83.0603744 603.151855469 48.6599966664
326 159.1226944 833.754302979 67.2641246739
327
328 RECORD_TITLE: 4_9: FTMS + p NSI d Full ms2 269.16@hcd40.00 [50.00-280.00]
329 AC$MASS_SPECTROMETRY: ION_MODE NA
330 MS$FOCUSED_ION: PRECURSOR_M/Z 269.08807373
331 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
332 CH$FORMULA: C5H143O2S
333 AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE hcd
334 AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40.00
335 PK$NUM_PEAK: 1
336 PK$PEAK: m/z int. rel.int.
337 235.0826734 5694.4695638 100.0
338
339 RECORD_TITLE: 5_7: FTMS + p NSI d Full ms2 291.07@hcd40.00 [50.00-305.00]
340 AC$MASS_SPECTROMETRY: ION_MODE NA
341 MS$FOCUSED_ION: PRECURSOR_M/Z 291.070037842
342 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
343 CH$FORMULA: C2H143N2O2P2
344 AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE hcd
345 AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40.00
346 PK$NUM_PEAK: 1
347 PK$PEAK: m/z int. rel.int.
348 160.0306744 7423.31429036 100.0
349
350 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]
351 AC$MASS_SPECTROMETRY: ION_MODE NA
352 MS$FOCUSED_ION: PRECURSOR_M/Z 291.070037842
353 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
354 CH$FORMULA: C9H12N3O8
355 AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE hcd
356 AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20.00, 80.00, 40.00
357 PK$NUM_PEAK: 8
358 PK$PEAK: m/z int. rel.int.
359 70.0651254 1239.52301025 0.183525298898
360 83.0603744 603.151855469 0.0893034043255
361 86.0964254 404.994552612 0.0599639907489
362 93.0447244 458.628860474 0.0679051522281
363 95.0603744 801.591166178 0.118684572331
364 110.0712734 2591.87412516 0.383756065511
365 122.0712734 901.27532959 0.133443931967
366 159.0274584 675396.262913 100.0
367
368 RECORD_TITLE: 5_5: FTMS + p NSI d Full ms2 291.07@hcd80.00 [50.00-305.00]
369 AC$MASS_SPECTROMETRY: ION_MODE NA
370 MS$FOCUSED_ION: PRECURSOR_M/Z 291.070037842
371 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
372 CH$FORMULA: C8H6N10O3
373 AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE hcd
374 AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80.00
375 PK$NUM_PEAK: 3
376 PK$PEAK: m/z int. rel.int.
377 83.0603744 603.151855469 75.244324154
378 93.0447244 458.628860474 57.2148097216
379 95.0603744 801.591166178 100.0
380
381 RECORD_TITLE: 5_4: FTMS + p NSI d Full ms2 291.07@hcd40.00 [50.00-305.00]
382 AC$MASS_SPECTROMETRY: ION_MODE NA
383 MS$FOCUSED_ION: PRECURSOR_M/Z 291.070037842
384 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
385 CH$FORMULA: C5H23O7PS2
386 AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE hcd
387 AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40.00
388 PK$NUM_PEAK: 2
389 PK$PEAK: m/z int. rel.int.
390 159.0273034 1074894.97917 100.0
391 159.1227014 833.754302979 0.0775661175404
392
393 RECORD_TITLE: 4_2: FTMS + p NSI d Full ms2 269.16@hcd80.00 [50.00-280.00]
394 AC$MASS_SPECTROMETRY: ION_MODE NA
395 MS$FOCUSED_ION: PRECURSOR_M/Z 269.08807373
396 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
397 CH$FORMULA: H34NP4S3
398 AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE hcd
399 AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80.00
400 PK$NUM_PEAK: 1
401 PK$PEAK: m/z int. rel.int.
402 110.0347334 933.602274577 100.0
403
404 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]
405 AC$MASS_SPECTROMETRY: ION_MODE NA
406 MS$FOCUSED_ION: PRECURSOR_M/Z 291.070037842
407 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
408 CH$FORMULA: C15H16O2P2
409 AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE hcd
410 AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20.00, 80.00, 40.00
411 PK$NUM_PEAK: 2
412 PK$PEAK: m/z int. rel.int.
413 160.0307514 6743.0345052 100.0
414 195.0358144 1140.4095459 16.9124085754
415
416 RECORD_TITLE: 5_8: FTMS + p NSI d Full ms2 291.07@hcd40.00 [50.00-305.00]
417 AC$MASS_SPECTROMETRY: ION_MODE NA
418 MS$FOCUSED_ION: PRECURSOR_M/Z 291.070037842
419 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
420 CH$FORMULA: C3H137N6S
421 AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE hcd
422 AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40.00
423 PK$NUM_PEAK: 1
424 PK$PEAK: m/z int. rel.int.
425 160.0306744 7423.31429036 100.0
426
427 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]
428 AC$MASS_SPECTROMETRY: ION_MODE NA
429 MS$FOCUSED_ION: PRECURSOR_M/Z 269.08807373
430 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
431 CH$FORMULA: C6H23NO4PS2
432 AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE hcd
433 AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20.00, 80.00, 40.00
434 PK$NUM_PEAK: 8
435 PK$PEAK: m/z int. rel.int.
436 86.0964254 4810.04223633 12.4243567543
437 110.0236554 2448.12654623 6.32351985608
438 110.0347334 933.602274577 2.41149810253
439 137.0456324 5419.28781467 13.9980403197
440 138.0660334 7880.52775066 20.3554321097
441 156.0765984 38714.6178386 100.0
442 161.0600184 1565.04423014 4.0425149918
443 166.0609484 1693.62827047 4.37464804
444
445 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]
446 AC$MASS_SPECTROMETRY: ION_MODE NA
447 MS$FOCUSED_ION: PRECURSOR_M/Z 269.08807373
448 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
449 CH$FORMULA: C10H12N4O5
450 AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE hcd
451 AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20.00, 80.00, 40.00
452 PK$NUM_PEAK: 15
453 PK$PEAK: m/z int. rel.int.
454 83.0603744 1864.35213216 0.941755945593
455 86.0964254 4810.04223633 2.42973727789
456 93.0447244 1250.13537598 0.631491445643
457 105.0447244 1015.75085449 0.513094811841
458 110.0236554 2448.12654623 1.23664284804
459 110.0348884 933.602274577 0.471598405545
460 110.0712734 197965.528212 100.0
461 111.0552894 824.668609619 0.416571822917
462 120.0807754 1197.83569336 0.605072865048
463 121.0396394 1162.95054626 0.587451035929
464 137.0457874 5419.28781467 2.73749064477
465 138.0661884 7880.52775066 3.98075757019
466 150.0522764 919.167175293 0.464306681873
467 156.0767534 38714.6178386 19.5562420328
468 166.0611034 1693.62827047 0.855516758784
469
470 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]
471 AC$MASS_SPECTROMETRY: ION_MODE NA
472 MS$FOCUSED_ION: PRECURSOR_M/Z 269.08807373
473 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
474 CH$FORMULA: C3H28N2OS5
475 AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE hcd
476 AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20.00, 40.00
477 PK$NUM_PEAK: 2
478 PK$PEAK: m/z int. rel.int.
479 128.9860924 992.243835447 83.7525341735
480 156.9810074 1184.73291016 100.0
481
482 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]
483 AC$MASS_SPECTROMETRY: ION_MODE NA
484 MS$FOCUSED_ION: PRECURSOR_M/Z 269.08807373
485 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
486 CH$FORMULA: C4H23N4OP3S
487 AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE hcd
488 AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80.00, 40.00
489 PK$NUM_PEAK: 2
490 PK$PEAK: m/z int. rel.int.
491 83.0603744 1864.35213216 100.0
492 110.0348884 933.602274577 50.0764988798
493
494 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]
495 AC$MASS_SPECTROMETRY: ION_MODE NA
496 MS$FOCUSED_ION: PRECURSOR_M/Z 353.040466309
497 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
498 CH$FORMULA: C5H22N6P6
499 AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE hcd
500 AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20.00, 80.00, 40.00
501 PK$NUM_PEAK: 4
502 PK$PEAK: m/z int. rel.int.
503 86.0964254 371.63130188 36.7305253511
504 110.0712734 717.586954752 70.9233740532
505 224.0200154 1011.77780151 100.0
506 233.0956844 426.534858704 42.1569694519
507
508 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]
509 AC$MASS_SPECTROMETRY: ION_MODE NA
510 MS$FOCUSED_ION: PRECURSOR_M/Z 353.040466309
511 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
512 CH$FORMULA: C2H12N10O7S2
513 AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE hcd
514 AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20.00, 80.00, 40.00
515 PK$NUM_PEAK: 13
516 PK$PEAK: m/z int. rel.int.
517 76.0215474 379.493642171 18.9102782069
518 124.0227074 796.784576416 39.7040064356
519 179.0029024 316.335632324 15.7630962663
520 179.9947794 230.910499573 11.5063371361
521 196.0247364 337.682826996 16.8268331655
522 197.0213284 464.43107605 23.142735161
523 224.0196514 1011.77780151 50.4171811698
524 231.0432234 1878.90701294 93.6264811615
525 232.0406844 240.709289551 11.9946136814
526 233.0952584 426.534858704 21.2543556643
527 259.0138554 527.621429443 26.2915287898
528 277.0244204 787.013214111 39.2170966191
529 307.0349854 2006.81152344 100.0
530
531 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]
532 AC$MASS_SPECTROMETRY: ION_MODE NA
533 MS$FOCUSED_ION: PRECURSOR_M/Z 353.040466309
534 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
535 CH$FORMULA: C10H139NOP2
536 AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE hcd
537 AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20.00, 80.00, 40.00
538 PK$NUM_PEAK: 5
539 PK$PEAK: m/z int. rel.int.
540 86.0964254 371.63130188 67.6926304862
541 136.0756904 235.365745544 42.8718634884
542 140.0130904 548.998168945 100.0
543 200.0745504 424.174110412 77.2633014838
544 240.0119504 360.467781067 65.6591955051
545
546 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]
547 AC$MASS_SPECTROMETRY: ION_MODE NA
548 MS$FOCUSED_ION: PRECURSOR_M/Z 353.040466309
549 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
550 CH$FORMULA: C3H18N3O12S2
551 AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE hcd
552 AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20.00, 80.00, 40.00
553 PK$NUM_PEAK: 19
554 PK$PEAK: m/z int. rel.int.
555 71.0127564 207.915283203 5.02537605129
556 76.0215474 379.493642171 9.17247751874
557 105.0004784 396.980895996 9.59514979767
558 110.0793604 240.905975342 5.82277118087
559 122.0270274 4137.30795628 100.0
560 179.0029024 316.335632324 7.645929084
561 185.0377504 330.458770752 7.98728966381
562 196.0247434 337.682826996 8.16189731498
563 224.0196584 1011.77780151 24.4549792329
564 231.0432304 1878.90701294 45.4137577573
565 233.0952654 426.534858704 10.3094781247
566 247.0138624 2169.64108785 52.4408893604
567 249.0295124 1576.70782471 38.1095108551
568 259.0138624 527.621429443 12.7527714886
569 263.0087774 671.352722168 16.2268008391
570 264.0166024 274.728988647 6.64028376785
571 277.0244274 787.013214111 19.0223503405
572 281.0193424 258.13458252 6.23919189114
573 307.0349924 2006.81152344 48.5052489359
574
575 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]
576 AC$MASS_SPECTROMETRY: ION_MODE NA
577 MS$FOCUSED_ION: PRECURSOR_M/Z 353.040466309
578 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
579 CH$FORMULA: C6H27NO3PS5
580 AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE hcd
581 AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20.00, 80.00, 40.00
582 PK$NUM_PEAK: 24
583 PK$PEAK: m/z int. rel.int.
584 71.0127564 207.915283203 0.811536537739
585 76.0215474 379.493642171 1.48124251242
586 86.0964254 371.63130188 1.45055416512
587 105.0004784 396.980895996 1.54949889648
588 110.0793604 240.905975342 0.940306061863
589 122.0270274 4137.30795628 16.1487723398
590 123.0266104 532.023727417 2.07659911812
591 130.0498704 971.771247862 3.79302503316
592 137.0456324 310.089518229 1.2103438003
593 156.0765984 1264.3899231 4.93517650428
594 177.9990994 624.539642334 2.43770795111
595 186.0412624 311.495994568 1.2158335696
596 194.0067464 1652.79308065 6.45119470588
597 196.0289844 1119.2911377 4.36882580547
598 197.0218234 367.898071289 1.43598259068
599 199.0710864 412.669647217 1.61073535131
600 229.0242924 266.182261149 1.03896465566
601 233.0394884 530.847488403 2.07200801292
602 239.0086424 25619.9534506 100.0
603 263.0087984 671.352722168 2.62042912554
604 264.0166234 274.728988647 1.07232430838
605 277.0244484 787.013214111 3.07187605017
606 281.0193634 258.13458252 1.00755289434
607 307.0350134 2006.81152344 7.8330022235
608
609 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]
610 AC$MASS_SPECTROMETRY: ION_MODE NA
611 MS$FOCUSED_ION: PRECURSOR_M/Z 353.040466309
612 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
613 CH$FORMULA: C7H22N3O3P4S
614 AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE hcd
615 AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20.00, 80.00, 40.00
616 PK$NUM_PEAK: 51
617 PK$PEAK: m/z int. rel.int.
618 71.0127564 207.915283203 0.216961029292
619 76.0215474 379.493642171 0.396004228004
620 86.0964254 371.63130188 0.387799821787
621 105.0004784 396.980895996 0.414252297751
622 109.0760244 364.92791748 0.38080479402
623 110.0712734 717.586954752 0.748806927086
624 122.0270274 4137.30795628 4.31730933322
625 123.0264544 532.023727417 0.555170421962
626 125.9977524 231.322723389 0.241386854261
627 130.0498704 971.771247862 1.01404998673
628 136.0760024 235.365745544 0.245605775711
629 139.0326024 289.75042216 0.302356560139
630 140.0134024 548.998168945 0.572883368547
631 147.9821024 247.580780029 0.258352248283
632 149.9977524 1465.71541341 1.52948412374
633 156.0767534 1264.3899231 1.3193995887
634 165.9926674 587.422119141 0.612979025083
635 168.0083174 682.549377441 0.712244973966
636 174.9930014 8288.38403321 8.64898579512
637 176.0008264 234.601882935 0.24480867982
638 177.0086514 907.049053192 0.946511931048
639 177.9989684 624.539642334 0.651711416048
640 179.0023814 422.887283325 0.441285791266
641 184.0032324 274.209452311 0.286139451119
642 185.0380824 330.458770752 0.344836002127
643 193.0035664 95830.7046577 100.0
644 194.0004704 438.198239645 0.457262879585
645 194.0065214 1652.79308065 1.72470095733
646 195.0192164 1151.08917236 1.20116947535
647 195.0255174 1516.69664001 1.58268338465
648 196.0288524 1119.2911377 1.16798800728
649 199.0711104 412.669647217 0.43062361765
650 200.0746014 424.174110412 0.442628604191
651 211.0141314 18398.1219075 19.1985668615
652 212.0170864 248.35995992 0.259165327863
653 221.9948494 932.389709473 0.972955080319
654 222.0014364 4704.14200846 4.90880456871
655 223.0202764 6413.97005208 6.69302190252
656 224.0170864 523.004806519 0.545759115919
657 224.0197034 1011.77780151 1.05579710086
658 229.0243164 266.182261149 0.277763021883
659 233.0395124 530.847488403 0.553943008453
660 233.0957534 426.534858704 0.445092061283
661 239.0086664 25619.9534506 26.734597791
662 240.0120014 360.467781067 0.37615061097
663 241.0308414 449.311477661 0.468859619958
664 263.0088224 671.352722168 0.700561187112
665 264.0166474 274.728988647 0.286681590862
666 277.0244724 787.013214111 0.821253706651
667 281.0193874 258.13458252 0.269365213834
668 307.0350374 2006.81152344 2.09412163941
669
670 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]
671 AC$MASS_SPECTROMETRY: ION_MODE NA
672 MS$FOCUSED_ION: PRECURSOR_M/Z 353.040466309
673 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
674 CH$FORMULA: C8H16N7OP2S2
675 AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE hcd
676 AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20.00, 80.00, 40.00
677 PK$NUM_PEAK: 37
678 PK$PEAK: m/z int. rel.int.
679 76.0215474 379.493642171 0.396004228004
680 86.0964254 371.63130188 0.387799821787
681 109.0760244 364.92791748 0.38080479402
682 110.0712734 717.586954752 0.748806927086
683 123.0264544 532.023727417 0.555170421962
684 123.0304494 2251.09712728 2.34903534866
685 125.9977524 231.322723389 0.241386854261
686 136.0758464 235.365745544 0.245605775711
687 137.045735733 310.089518229 0.323580546899
688 139.0326024 289.75042216 0.302356560139
689 140.0134024 548.998168945 0.572883368547
690 147.9821024 247.580780029 0.258352248283
691 149.9977524 1465.71541341 1.52948412374
692 174.9929239 8288.38403321 8.64898579512
693 176.0007489 234.601882935 0.24480867982
694 177.0085739 907.049053192 0.946511931048
695 179.0024434 422.887283325 0.441285791266
696 179.9947104 230.910499573 0.240956695871
697 186.0413484 311.495994568 0.325048214641
698 193.0034114 95830.7046577 100.0
699 194.0005324 438.198239645 0.457262879585
700 194.0065214 1652.79308065 1.72470095733
701 195.0190614 1151.08917236 1.20116947535
702 196.0252314 337.682826996 0.352374354548
703 196.0289144 1119.2911377 1.16798800728
704 197.0218234 367.898071289 0.383904169966
705 200.0746634 424.174110412 0.442628604191
706 212.0170084 248.35995992 0.259165327863
707 222.0014364 4704.14200846 4.90880456871
708 223.0126334 272.505996704 0.284361883467
709 223.0203384 6413.97005208 6.69302190252
710 224.0170864 523.004806519 0.545759115919
711 224.0201464 1011.77780151 1.05579710086
712 231.0433374 1878.90701294 1.96065240222
713 233.0953724 426.534858704 0.445092061283
714 240.0120634 360.467781067 0.37615061097
715 241.0309034 449.311477661 0.468859619958
716
717 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]
718 AC$MASS_SPECTROMETRY: ION_MODE NA
719 MS$FOCUSED_ION: PRECURSOR_M/Z 353.040466309
720 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
721 CH$FORMULA: C9H22O6P2S2
722 AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE hcd
723 AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20.00, 80.00, 40.00
724 PK$NUM_PEAK: 34
725 PK$PEAK: m/z int. rel.int.
726 71.0127564 207.915283203 0.0949292619074
727 105.0004784 396.980895996 0.181252204589
728 110.0793604 240.905975342 0.109992041354
729 123.0262984 532.023727417 0.242909607138
730 156.0765984 1264.3899231 0.577290905767
731 174.9928464 8288.38403321 3.78428255276
732 176.0006714 234.601882935 0.10711374001
733 177.0084964 907.049053192 0.414137411194
734 179.0021474 529.438934326 0.241729450988
735 179.9947174 230.910499573 0.105428340589
736 186.0416674 311.495994568 0.142221795319
737 193.0034114 95830.7046577 43.7540613709
738 194.0065904 1652.79308065 0.754626715337
739 195.0190614 1151.08917236 0.525560429413
740 197.0218234 367.898071289 0.167973666133
741 200.0746704 424.174110412 0.193667991123
742 211.0139764 18398.1219075 8.40015272692
743 212.0171554 248.35995992 0.113395356606
744 220.9983264 219021.278608 100.0
745 222.0015054 4704.14200846 2.14780136357
746 224.0171554 523.004806519 0.238791778517
747 229.0245414 266.182261149 0.12153260306
748 233.0395814 530.847488403 0.242372563879
749 235.0139764 866.191558837 0.395482833605
750 239.0088914 25619.9534506 11.6974723248
751 240.0120704 360.467781067 0.164581169171
752 247.0139764 2169.64108785 0.990607443093
753 249.0296264 1576.70782471 0.719887964644
754 259.0139764 527.621429443 0.240899620711
755 263.0088914 671.352722168 0.30652397175
756 264.0167164 274.728988647 0.125434839205
757 277.0245414 787.013214111 0.359331850819
758 281.0194564 258.13458252 0.117858220973
759 307.0351064 2006.81152344 0.916263267291
760
761 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]
762 AC$MASS_SPECTROMETRY: ION_MODE NA
763 MS$FOCUSED_ION: PRECURSOR_M/Z 353.040466309
764 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
765 CH$FORMULA: C10H16N4O4S3
766 AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE hcd
767 AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20.00, 80.00, 40.00
768 PK$NUM_PEAK: 52
769 PK$PEAK: m/z int. rel.int.
770 71.0127564 207.915283203 0.0949292619074
771 76.0215474 379.493642171 0.173267932953
772 86.0964254 371.63130188 0.169678172021
773 105.0004784 396.980895996 0.181252204589
774 109.0760244 364.92791748 0.166617563279
775 110.0712734 717.586954752 0.327633442427
776 122.0270274 4137.30795628 1.88899817523
777 123.0262984 532.023727417 0.242909607138
778 124.0227074 796.784576416 0.363793226612
779 130.0498704 971.771247862 0.443688053525
780 136.0756904 235.365745544 0.107462501835
781 137.0457874 310.089518229 0.141579631075
782 139.0324464 289.75042216 0.132293274882
783 140.0130904 548.998168945 0.250659740658
784 156.0767534 1264.3899231 0.577290905767
785 168.0080054 682.549377441 0.311636103021
786 177.9990994 624.539642334 0.285150212939
787 179.0025559 422.887283325 0.193080455932
788 179.9947794 230.910499573 0.105428340589
789 184.0030299 274.209452311 0.125197631049
790 185.0379264 330.458770752 0.150879756
791 194.0000654 438.198239645 0.20007108096
792 194.0065904 1652.79308065 0.754626715337
793 195.0078904 319.455037435 0.145855708388
794 195.0256484 1516.69664001 0.69248825943
795 196.0249194 337.682826996 0.154178091344
796 199.0713344 412.669647217 0.188415321944
797 211.0140384 18398.1219075 8.40015272692
798 212.0171554 248.35995992 0.113395356606
799 220.9983884 219021.278608 100.0
800 221.9949804 932.389709473 0.425707362955
801 222.0015054 4704.14200846 2.14780136357
802 223.0127024 272.505996704 0.124419873008
803 223.0205634 6413.97005208 2.9284689108
804 224.0171554 523.004806519 0.238791778517
805 224.0198344 1011.77780151 0.461954111463
806 225.0157764 2299.60510254 1.04994597655
807 229.0246034 266.182261149 0.12153260306
808 231.0434064 1878.90701294 0.85786505534
809 232.0408674 240.709289551 0.109902239216
810 233.0954414 426.534858704 0.194745853651
811 235.0140384 866.191558837 0.395482833605
812 239.0089534 25619.9534506 11.6974723248
813 241.0311284 449.311477661 0.20514512586
814 247.0140384 2169.64108785 0.990607443093
815 249.0296884 1576.70782471 0.719887964644
816 259.0140384 527.621429443 0.240899620711
817 263.0089534 671.352722168 0.30652397175
818 264.0167784 274.728988647 0.125434839205
819 277.0246034 787.013214111 0.359331850819
820 281.0195184 258.13458252 0.117858220973
821 307.0351684 2006.81152344 0.916263267291
822
823 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]
824 AC$MASS_SPECTROMETRY: ION_MODE NA
825 MS$FOCUSED_ION: PRECURSOR_M/Z 353.040466309
826 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
827 CH$FORMULA: H138N5O7P
828 AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE hcd
829 AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20.00, 40.00
830 PK$NUM_PEAK: 5
831 PK$PEAK: m/z int. rel.int.
832 123.0304494 2251.09712728 100.0
833 124.0227074 796.784576416 35.3953886201
834 169.0584024 596.368469238 26.4923473097
835 232.0408834 240.709289551 10.6929766217
836 235.0137424 866.191558837 38.4786399636
837
838 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]
839 AC$MASS_SPECTROMETRY: ION_MODE NA
840 MS$FOCUSED_ION: PRECURSOR_M/Z 215.139022827
841 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
842 CH$FORMULA: C6H21N3O3P
843 AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE hcd
844 AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20.00, 40.00
845 PK$NUM_PEAK: 7
846 PK$PEAK: m/z int. rel.int.
847 98.0964254 645.535736084 0.230217554427
848 111.0440564 615.450286865 0.21948817392
849 116.0706054 280402.481771 100.0
850 129.1022394 527.823242188 0.188237721312
851 130.0862554 807.947723389 0.288138577907
852 147.1128044 843.375335693 0.300773135233
853 169.1338514 442.978881836 0.15797965804
854
855 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]
856 AC$MASS_SPECTROMETRY: ION_MODE NA
857 MS$FOCUSED_ION: PRECURSOR_M/Z 215.139022827
858 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
859 CH$FORMULA: C2H32O2P2S2
860 AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE hcd
861 AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20.00, 40.00
862 PK$NUM_PEAK: 1
863 PK$PEAK: m/z int. rel.int.
864 169.1336964 844.100585938 100.0
865
866 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]
867 AC$MASS_SPECTROMETRY: ION_MODE NA
868 MS$FOCUSED_ION: PRECURSOR_M/Z 215.139022827
869 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
870 CH$FORMULA: C10H18N2O3
871 AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE hcd
872 AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20.00, 40.00
873 PK$NUM_PEAK: 10
874 PK$PEAK: m/z int. rel.int.
875 98.0964254 645.535736084 0.230217554427
876 111.0440564 615.450286865 0.21948817392
877 116.0706054 280402.481771 100.0
878 129.1022394 527.823242188 0.188237721312
879 130.0862554 807.947723389 0.288138577907
880 147.1128044 843.375335693 0.300773135233
881 152.1069904 2030.26434326 0.724053628356
882 159.1128044 1122.55491638 0.400337011747
883 169.1335394 844.100585938 0.301031781391
884 193.0733454 470.239852905 0.16770174427
885
886 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]
887 AC$MASS_SPECTROMETRY: ION_MODE NA
888 MS$FOCUSED_ION: PRECURSOR_M/Z 269.08807373
889 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
890 CH$FORMULA: H29O7PS3
891 AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE hcd
892 AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80.00, 40.00
893 PK$NUM_PEAK: 2
894 PK$PEAK: m/z int. rel.int.
895 110.0347334 933.602274577 16.3948944518
896 235.0831054 5694.4695638 100.0
897
898 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]
899 AC$MASS_SPECTROMETRY: ION_MODE NA
900 MS$FOCUSED_ION: PRECURSOR_M/Z 269.08807373
901 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
902 CH$FORMULA: C2H26N2O4P2S2
903 AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE hcd
904 AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20.00, 80.00, 40.00
905 PK$NUM_PEAK: 7
906 PK$PEAK: m/z int. rel.int.
907 110.0347334 933.602274577 2.41149810253
908 137.0456324 5419.28781467 13.9980403197
909 138.0660334 7880.52775066 20.3554321097
910 156.0765984 38714.6178386 100.0
911 161.0603304 1565.04423014 4.0425149918
912 175.1187974 727.628845215 1.87946797835
913 235.0827244 5694.4695638 14.7088357879
914
915 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]
916 AC$MASS_SPECTROMETRY: ION_MODE NA
917 MS$FOCUSED_ION: PRECURSOR_M/Z 269.08807373
918 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
919 CH$FORMULA: C3H20N6O2S3
920 AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE hcd
921 AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20.00, 80.00, 40.00
922 PK$NUM_PEAK: 5
923 PK$PEAK: m/z int. rel.int.
924 128.9860924 992.243835447 17.4246929293
925 156.9810074 1184.73291016 20.8049739644
926 161.0603924 1565.04423014 27.483582318
927 174.9915724 1486.68695068 26.1075581145
928 235.0827864 5694.4695638 100.0
929
930 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]
931 AC$MASS_SPECTROMETRY: ION_MODE NA
932 MS$FOCUSED_ION: PRECURSOR_M/Z 269.08807373
933 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
934 CH$FORMULA: C6H15N5O5P
935 AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE hcd
936 AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20.00, 80.00, 40.00
937 PK$NUM_PEAK: 17
938 PK$PEAK: m/z int. rel.int.
939 83.0603744 1864.35213216 0.941755945593
940 86.0964254 4810.04223633 2.42973727789
941 93.0447244 1250.13537598 0.631491445643
942 105.0447244 1015.75085449 0.513094811841
943 110.0236554 2448.12654623 1.23664284804
944 110.0348884 933.602274577 0.471598405545
945 110.0712734 197965.528212 100.0
946 111.0552894 824.668609619 0.416571822917
947 121.0396394 1162.95054626 0.587451035929
948 137.0457874 5419.28781467 2.73749064477
949 138.0661884 7880.52775066 3.98075757019
950 150.0524324 919.167175293 0.464306681873
951 156.0769094 38714.6178386 19.5562420328
952 161.0600184 1565.04423014 0.790564016006
953 166.0614154 2427.85441081 1.22640261299
954 175.1189524 727.628845215 0.367553306774
955 235.0828794 5694.4695638 2.87649552689
956
957 RECORD_TITLE: 4_13: FTMS + p NSI d Full ms2 269.16@hcd40.00 [50.00-280.00]
958 AC$MASS_SPECTROMETRY: ION_MODE NA
959 MS$FOCUSED_ION: PRECURSOR_M/Z 269.08807373
960 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
961 CH$FORMULA: CH146NO2PS
962 AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE hcd
963 AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40.00
964 PK$NUM_PEAK: 1
965 PK$PEAK: m/z int. rel.int.
966 235.0829854 5694.4695638 100.0
967
968 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]
969 AC$MASS_SPECTROMETRY: ION_MODE NA
970 MS$FOCUSED_ION: PRECURSOR_M/Z 138.049194336
971 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
972 CH$FORMULA: H13N2O2S2
973 AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE hcd
974 AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80.00, 40.00
975 PK$NUM_PEAK: 2
976 PK$PEAK: m/z int. rel.int.
977 120.0385584 26510.1155192 100.0
978 121.0225744 1131.21687826 4.26711410382
979
980 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]
981 AC$MASS_SPECTROMETRY: ION_MODE NA
982 MS$FOCUSED_ION: PRECURSOR_M/Z 353.040466309
983 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
984 CH$FORMULA: C2H31O5P7
985 AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE hcd
986 AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20.00, 40.00
987 PK$NUM_PEAK: 8
988 PK$PEAK: m/z int. rel.int.
989 177.9989684 624.539642334 13.276377312
990 222.0016864 4704.14200846 100.0
991 224.0173364 523.004806519 11.1179638195
992 233.0960034 356.621536255 7.58101127928
993 240.0122514 360.467781067 7.66277421937
994 259.0141574 527.621429443 11.2161033509
995 277.0247224 787.013214111 16.7302180226
996 307.0352874 2006.81152344 42.6605217238
997
998 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]
999 AC$MASS_SPECTROMETRY: ION_MODE NA
1000 MS$FOCUSED_ION: PRECURSOR_M/Z 353.040466309
1001 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
1002 CH$FORMULA: C2H30N2O3P2S5
1003 AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE hcd
1004 AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20.00, 80.00, 40.00
1005 PK$NUM_PEAK: 19
1006 PK$PEAK: m/z int. rel.int.
1007 76.0215474 379.493642171 1.48124251242
1008 110.0793604 240.905975342 0.940306061863
1009 137.0456324 310.089518229 1.2103438003
1010 156.0765984 1264.3899231 4.93517650428
1011 177.9994114 624.539642334 2.43770795111
1012 186.0412624 311.495994568 1.2158335696
1013 194.0069024 1652.79308065 6.45119470588
1014 196.02888915 1119.2911377 4.36882580547
1015 199.0712889 412.669647217 1.61073535131
1016 222.0017244 4704.14200846 18.3612433861
1017 224.0173744 523.004806519 2.04139639648
1018 229.0244484 266.182261149 1.03896465566
1019 231.0435634 1878.90701294 7.33376435116
1020 232.0402174 240.709289551 0.939538356366
1021 233.0955984 426.534858704 1.66485415177
1022 239.0087984 25619.9534506 100.0
1023 240.0122894 360.467781067 1.40698062455
1024 277.0247604 787.013214111 3.07187605017
1025 307.0353254 2006.81152344 7.8330022235
1026
1027 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]
1028 AC$MASS_SPECTROMETRY: ION_MODE NA
1029 MS$FOCUSED_ION: PRECURSOR_M/Z 353.040466309
1030 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
1031 CH$FORMULA: C6H142N2OP3
1032 AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE hcd
1033 AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20.00, 80.00, 40.00
1034 PK$NUM_PEAK: 10
1035 PK$PEAK: m/z int. rel.int.
1036 86.0964254 371.63130188 25.3549426089
1037 109.0760244 364.92791748 24.8975970466
1038 125.9977524 231.322723389 15.7822399405
1039 136.0760024 235.365745544 16.0580794464
1040 140.0134024 548.998168945 37.4559866071
1041 147.9821024 247.580780029 16.8914632243
1042 149.9977524 1465.71541341 100.0
1043 200.0747064 424.174110412 28.939731856
1044 233.0960144 356.621536255 24.3308853132
1045 240.0122624 360.467781067 24.5932994747
1046
1047 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]
1048 AC$MASS_SPECTROMETRY: ION_MODE NA
1049 MS$FOCUSED_ION: PRECURSOR_M/Z 353.040466309
1050 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
1051 CH$FORMULA: H30N5P4S4
1052 AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE hcd
1053 AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20.00, 80.00, 40.00
1054 PK$NUM_PEAK: 5
1055 PK$PEAK: m/z int. rel.int.
1056 186.0411934 311.495994568 1.92621770241
1057 194.0068334 1652.79308065 10.2204822723
1058 211.0143504 16171.3805339 100.0
1059 212.0169314 248.35995992 1.53579936728
1060 241.0309044 449.311477661 2.77843611879
1061
1062 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]
1063 AC$MASS_SPECTROMETRY: ION_MODE NA
1064 MS$FOCUSED_ION: PRECURSOR_M/Z 353.040466309
1065 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
1066 CH$FORMULA: C12H5N10O2P
1067 AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE hcd
1068 AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20.00, 80.00, 40.00
1069 PK$NUM_PEAK: 22
1070 PK$PEAK: m/z int. rel.int.
1071 71.0127564 207.915283203 0.216961029292
1072 123.0304494 2251.09712728 2.34903534866
1073 125.9977524 231.322723389 0.241386854261
1074 137.0457874 310.089518229 0.323580546899
1075 140.0132464 548.998168945 0.572883368547
1076 147.9821024 247.580780029 0.258352248283
1077 149.9977524 1465.71541341 1.52948412374
1078 165.9926674 587.422119141 0.612979025083
1079 168.0081614 682.549377441 0.712244973966
1080 169.0580834 596.368469238 0.622314602995
1081 174.9930014 8288.38403321 8.64898579512
1082 176.0008264 234.601882935 0.24480867982
1083 177.0084954 907.049053192 0.946511931048
1084 186.0410364 311.495994568 0.325048214641
1085 193.0034104 95830.7046577 100.0
1086 195.0190604 1151.08917236 1.20116947535
1087 196.0253864 337.682826996 0.352374354548
1088 223.0126324 272.505996704 0.284361883467
1089 224.0203014 1011.77780151 1.05579710086
1090 225.0158624 2299.60510254 2.39965375477
1091 281.0196044 258.13458252 0.269365213834
1092 307.0352544 2006.81152344 2.09412163941
1093
1094 RECORD_TITLE: 12_43: FTMS + p NSI d Full ms2 353.04@hcd80.00 [50.00-365.00]
1095 AC$MASS_SPECTROMETRY: ION_MODE NA
1096 MS$FOCUSED_ION: PRECURSOR_M/Z 353.040466309
1097 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
1098 CH$FORMULA: C5H147OS4
1099 AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE hcd
1100 AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80.00
1101 PK$NUM_PEAK: 1
1102 PK$PEAK: m/z int. rel.int.
1103 110.0793604 240.905975342 100.0
1104
1105 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]
1106 AC$MASS_SPECTROMETRY: ION_MODE NA
1107 MS$FOCUSED_ION: PRECURSOR_M/Z 353.040466309
1108 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
1109 CH$FORMULA: C13H11N3O7P
1110 AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE hcd
1111 AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20.00, 80.00, 40.00
1112 PK$NUM_PEAK: 39
1113 PK$PEAK: m/z int. rel.int.
1114 71.0127564 207.915283203 0.0949292619074
1115 86.0964254 371.63130188 0.169678172021
1116 109.0760244 364.92791748 0.166617563279
1117 110.0712734 717.586954752 0.327633442427
1118 125.9977524 231.322723389 0.105616552355
1119 130.0498704 971.771247862 0.443688053525
1120 136.0756904 235.365745544 0.107462501835
1121 140.0132464 548.998168945 0.250659740658
1122 147.9821024 247.580780029 0.113039601267
1123 149.9977524 1465.71541341 0.669211422161
1124 156.0767534 1264.3899231 0.577290905767
1125 165.9926674 587.422119141 0.268203218826
1126 168.0081614 682.549377441 0.311636103021
1127 169.0580904 596.368469238 0.272287913315
1128 174.9930014 8288.38403321 3.78428255276
1129 176.0008264 234.601882935 0.10711374001
1130 177.0084954 907.049053192 0.414137411194
1131 184.0030764 274.209452311 0.125197631049
1132 193.0034104 95830.7046577 43.7540613709
1133 194.0001584 438.198239645 0.20007108096
1134 195.0076714 319.455037435 0.145855708388
1135 195.0190604 1151.08917236 0.525560429413
1136 199.0713344 412.669647217 0.188415321944
1137 211.0139754 18398.1219075 8.40015272692
1138 220.9983254 219021.278608 100.0
1139 221.9949954 932.389709473 0.425707362955
1140 224.0232994 359.481826782 0.164131005474
1141 225.0158694 2299.60510254 1.04994597655
1142 229.0245404 266.182261149 0.12153260306
1143 235.0139754 866.191558837 0.395482833605
1144 239.0088904 25619.9534506 11.6974723248
1145 247.0141314 2169.64108785 0.990607443093
1146 249.0297814 1576.70782471 0.719887964644
1147 259.0141314 527.621429443 0.240899620711
1148 263.0090464 671.352722168 0.30652397175
1149 264.0168714 274.728988647 0.125434839205
1150 277.0246964 787.013214111 0.359331850819
1151 281.0196114 258.13458252 0.117858220973
1152 307.0352614 2006.81152344 0.916263267291
1153
1154 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]
1155 AC$MASS_SPECTROMETRY: ION_MODE NA
1156 MS$FOCUSED_ION: PRECURSOR_M/Z 353.040466309
1157 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
1158 CH$FORMULA: C19H15OP3
1159 AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE hcd
1160 AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20.00, 40.00
1161 PK$NUM_PEAK: 2
1162 PK$PEAK: m/z int. rel.int.
1163 200.0749394 424.174110412 100.0
1164 240.0123394 360.467781067 84.981089656
1165
1166 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]
1167 AC$MASS_SPECTROMETRY: ION_MODE NA
1168 MS$FOCUSED_ION: PRECURSOR_M/Z 353.040466309
1169 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
1170 CH$FORMULA: C3H25N4O3P5S
1171 AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE hcd
1172 AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20.00, 80.00, 40.00
1173 PK$NUM_PEAK: 32
1174 PK$PEAK: m/z int. rel.int.
1175 71.0127564 207.915283203 0.811536537739
1176 76.0215474 379.493642171 1.48124251242
1177 105.0004784 396.980895996 1.54949889648
1178 122.0270274 4137.30795628 16.1487723398
1179 123.0266104 532.023727417 2.07659911812
1180 139.0327584 289.75042216 1.13095608358
1181 156.0770654 1264.3899231 4.93517650428
1182 177.9989684 624.539642334 2.43770795111
1183 179.0024594 422.887283325 1.65061690741
1184 185.0382384 330.458770752 1.28984922393
1185 194.0068334 1652.79308065 6.45119470588
1186 195.0255174 1516.69664001 5.91998202863
1187 196.0290084 1119.2911377 4.36882580547
1188 199.0711104 412.669647217 1.61073535131
1189 200.0746014 424.174110412 1.65563966083
1190 212.0173984 248.35995992 0.969400511985
1191 221.9948494 932.389709473 3.63931070863
1192 222.0017174 4704.14200846 18.3612433861
1193 223.0204324 6413.97005208 25.0350573995
1194 224.0173674 523.004806519 2.04139639648
1195 224.0200154 1011.77780151 3.94917892206
1196 224.0233874 3425.1203893 13.3689563329
1197 229.0244724 266.182261149 1.03896465566
1198 232.0402414 240.709289551 0.939538356366
1199 239.0088224 25619.9534506 100.0
1200 240.0123134 360.467781067 1.40698062455
1201 241.0309974 449.311477661 1.75375602664
1202 263.0091344 671.352722168 2.62042912554
1203 264.0169594 274.728988647 1.07232430838
1204 277.0247844 787.013214111 3.07187605017
1205 281.0196994 258.13458252 1.00755289434
1206 307.0353494 2006.81152344 7.8330022235
1207
1208 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]
1209 AC$MASS_SPECTROMETRY: ION_MODE NA
1210 MS$FOCUSED_ION: PRECURSOR_M/Z 291.070037842
1211 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
1212 CH$FORMULA: C7H22N2O2P4
1213 AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE hcd
1214 AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20.00, 80.00, 40.00
1215 PK$NUM_PEAK: 7
1216 PK$PEAK: m/z int. rel.int.
1217 70.0651254 1239.52301025 20.4448813698
1218 83.0603744 603.151855469 9.94847859298
1219 86.0964254 404.994552612 6.68004185082
1220 93.0447244 458.628860474 7.56469429577
1221 95.0603744 801.591166178 13.2215668156
1222 160.0313754 6062.75472005 100.0
1223 195.0364384 1140.4095459 18.810088789
1224
1225 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]
1226 AC$MASS_SPECTROMETRY: ION_MODE NA
1227 MS$FOCUSED_ION: PRECURSOR_M/Z 353.040466309
1228 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
1229 CH$FORMULA: CH18N6O9P2S
1230 AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE hcd
1231 AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20.00, 80.00, 40.00
1232 PK$NUM_PEAK: 15
1233 PK$PEAK: m/z int. rel.int.
1234 123.0304494 2251.09712728 1.02779836808
1235 124.0227074 796.784576416 0.363793226612
1236 137.0460994 320.305679321 0.146244091604
1237 169.0584024 596.368469238 0.272287913315
1238 179.9947174 230.910499573 0.105428340589
1239 186.0416674 311.495994568 0.142221795319
1240 195.0073334 319.455037435 0.145855708388
1241 197.0212664 464.43107605 0.212048381327
1242 220.9978314 219021.278608 100.0
1243 224.0195894 1011.77780151 0.461954111463
1244 232.0406224 240.709289551 0.109902239216
1245 233.0393984 530.847488403 0.242372563879
1246 235.0134814 866.191558837 0.395482833605
1247 239.0083964 25619.9534506 11.6974723248
1248 307.0349234 2006.81152344 0.916263267291
1249
1250 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]
1251 AC$MASS_SPECTROMETRY: ION_MODE NA
1252 MS$FOCUSED_ION: PRECURSOR_M/Z 353.040466309
1253 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
1254 CH$FORMULA: C3H33O2P5S3
1255 AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE hcd
1256 AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20.00, 80.00, 40.00
1257 PK$NUM_PEAK: 17
1258 PK$PEAK: m/z int. rel.int.
1259 71.0127564 207.915283203 0.216961029292
1260 105.0004784 396.980895996 0.414252297751
1261 110.0793604 240.905975342 0.251387043644
1262 156.0765984 1264.3899231 1.3193995887
1263 174.9928464 8288.38403321 8.64898579512
1264 176.0006714 234.601882935 0.24480867982
1265 177.0084964 907.049053192 0.946511931048
1266 177.9989684 624.539642334 0.651711416048
1267 193.0034114 95830.7046577 100.0
1268 195.0190614 1151.08917236 1.20116947535
1269 211.0139764 18398.1219075 19.1985668615
1270 212.0169314 248.35995992 0.259165327863
1271 222.0012814 4704.14200846 4.90880456871
1272 233.0955984 426.534858704 0.445092061283
1273 240.0118464 360.467781067 0.37615061097
1274 281.0192324 258.13458252 0.269365213834
1275 307.0348824 2006.81152344 2.09412163941
1276
1277 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]
1278 AC$MASS_SPECTROMETRY: ION_MODE NA
1279 MS$FOCUSED_ION: PRECURSOR_M/Z 353.040466309
1280 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
1281 CH$FORMULA: H24N2O11P4
1282 AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE hcd
1283 AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20.00, 80.00, 40.00
1284 PK$NUM_PEAK: 3
1285 PK$PEAK: m/z int. rel.int.
1286 169.0584024 596.368469238 68.8494898333
1287 185.0377504 330.458770752 38.1507724684
1288 235.0134194 866.191558837 100.0
1289
1290 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]
1291 AC$MASS_SPECTROMETRY: ION_MODE NA
1292 MS$FOCUSED_ION: PRECURSOR_M/Z 291.070037842
1293 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
1294 CH$FORMULA: C12H13N5PS
1295 AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE hcd
1296 AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20.00, 80.00, 40.00
1297 PK$NUM_PEAK: 8
1298 PK$PEAK: m/z int. rel.int.
1299 70.0651254 1239.52301025 18.3822729855
1300 83.0603744 603.151855469 8.94481342196
1301 86.0964254 404.994552612 6.00611716134
1302 93.0447244 458.628860474 6.80152029654
1303 95.0603744 801.591166178 11.8876918924
1304 110.0712734 2591.87412516 38.4378001205
1305 122.0712734 901.27532959 13.3660198371
1306 160.0310634 6743.0345052 100.0
1307
1308 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]
1309 AC$MASS_SPECTROMETRY: ION_MODE NA
1310 MS$FOCUSED_ION: PRECURSOR_M/Z 291.070037842
1311 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
1312 CH$FORMULA: C11H19NO2P3
1313 AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE hcd
1314 AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20.00, 80.00, 40.00
1315 PK$NUM_PEAK: 4
1316 PK$PEAK: m/z int. rel.int.
1317 70.0651254 1239.52301025 18.3822729855
1318 86.0964254 404.994552612 6.00611716134
1319 160.0310634 6743.0345052 100.0
1320 195.0361264 1140.4095459 16.9124085754
1321
1322 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]
1323 AC$MASS_SPECTROMETRY: ION_MODE NA
1324 MS$FOCUSED_ION: PRECURSOR_M/Z 291.070037842
1325 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
1326 CH$FORMULA: C5H15N4O8P
1327 AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE hcd
1328 AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20.00, 80.00, 40.00
1329 PK$NUM_PEAK: 10
1330 PK$PEAK: m/z int. rel.int.
1331 70.0651254 1239.52301025 0.183525298898
1332 83.0603744 603.151855469 0.0893034043255
1333 86.0964254 404.994552612 0.0599639907489
1334 93.0447244 458.628860474 0.0679051522281
1335 95.0603744 801.591166178 0.118684572331
1336 110.0712734 2591.87412516 0.383756065511
1337 159.0276144 675396.262913 100.0
1338 160.0243624 1577.19441732 0.233521342051
1339 177.0254474 934.951171875 0.138430018526
1340 195.0360124 1140.4095459 0.168850437665
1341
1342 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]
1343 AC$MASS_SPECTROMETRY: ION_MODE NA
1344 MS$FOCUSED_ION: PRECURSOR_M/Z 269.088043213
1345 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
1346 CH$FORMULA: C6H23NO4PS2
1347 AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE hcd
1348 AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20.00, 80.00, 40.00
1349 PK$NUM_PEAK: 10
1350 PK$PEAK: m/z int. rel.int.
1351 70.0651254 813.814819336 2.25365957261
1352 86.0964254 5916.5789388 16.3845071947
1353 110.0236554 2863.59191895 7.93001207013
1354 137.0456324 5325.18063693 14.7467753513
1355 138.0660334 8148.97111005 22.5665671265
1356 156.0765984 36110.8141277 100.0
1357 161.0600184 1948.28767904 5.39530255993
1358 166.0609484 1700.64509583 4.70951745872
1359 171.0636884 3805.06982422 10.5372030959
1360 209.0793384 3458.37141927 9.57710730931
1361
1362 RECORD_TITLE: 5_11: FTMS + p NSI d Full ms2 291.07@hcd40.00 [50.00-305.00]
1363 AC$MASS_SPECTROMETRY: ION_MODE NA
1364 MS$FOCUSED_ION: PRECURSOR_M/Z 291.070037842
1365 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
1366 CH$FORMULA: CH26NO7P2S2
1367 AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE hcd
1368 AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40.00
1369 PK$NUM_PEAK: 2
1370 PK$PEAK: m/z int. rel.int.
1371 159.0273034 1074894.97917 100.0
1372 159.1230134 833.754302979 0.0775661175404
1373
1374 RECORD_TITLE: 5_10: FTMS + p NSI d Full ms2 291.07@hcd40.00 [50.00-305.00]
1375 AC$MASS_SPECTROMETRY: ION_MODE NA
1376 MS$FOCUSED_ION: PRECURSOR_M/Z 291.070037842
1377 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
1378 CH$FORMULA: H20N8O2P2S2
1379 AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE hcd
1380 AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40.00
1381 PK$NUM_PEAK: 1
1382 PK$PEAK: m/z int. rel.int.
1383 159.1230064 833.754302979 100.0
1384
1385 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]
1386 AC$MASS_SPECTROMETRY: ION_MODE NA
1387 MS$FOCUSED_ION: PRECURSOR_M/Z 291.070068359
1388 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
1389 CH$FORMULA: C16H10N4S
1390 AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE hcd
1391 AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20.00, 80.00, 40.00
1392 PK$NUM_PEAK: 7
1393 PK$PEAK: m/z int. rel.int.
1394 70.0651254 1306.6254069 20.3878242079
1395 84.0807754 448.410766602 6.99674124974
1396 95.0603744 849.053141276 13.2481322467
1397 110.0712734 2479.54288737 38.6893475641
1398 122.0712734 863.803812663 13.4782931586
1399 159.0262984 881.635823568 13.7565335033
1400 160.0307514 6408.85164388 100.0
1401
1402 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]
1403 AC$MASS_SPECTROMETRY: ION_MODE NA
1404 MS$FOCUSED_ION: PRECURSOR_M/Z 291.070037842
1405 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
1406 CH$FORMULA: CH18N5O8P2
1407 AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE hcd
1408 AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20.00, 80.00, 40.00
1409 PK$NUM_PEAK: 2
1410 PK$PEAK: m/z int. rel.int.
1411 159.0277704 675396.262913 100.0
1412 160.0243624 1577.19441732 0.233521342051
1413
1414 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]
1415 AC$MASS_SPECTROMETRY: ION_MODE NA
1416 MS$FOCUSED_ION: PRECURSOR_M/Z 353.040466309
1417 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
1418 CH$FORMULA: C9H14N4O7P2
1419 AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE hcd
1420 AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20.00, 80.00, 40.00
1421 PK$NUM_PEAK: 45
1422 PK$PEAK: m/z int. rel.int.
1423 71.0127564 207.915283203 0.0949292619074
1424 86.0964254 371.63130188 0.169678172021
1425 109.0760244 364.92791748 0.166617563279
1426 110.0712734 717.586954752 0.327633442427
1427 124.0227074 796.784576416 0.363793226612
1428 125.9977524 231.322723389 0.105616552355
1429 130.0498704 971.771247862 0.443688053525
1430 136.0758464 235.365745544 0.107462501835
1431 137.0457874 310.089518229 0.141579631075
1432 140.0132464 548.998168945 0.250659740658
1433 147.9821024 247.580780029 0.113039601267
1434 149.9977524 1465.71541341 0.669211422161
1435 156.0769094 1264.3899231 0.577290905767
1436 165.9926674 587.422119141 0.268203218826
1437 168.0083174 682.549377441 0.311636103021
1438 169.0582464 596.368469238 0.272287913315
1439 174.9930014 8288.38403321 3.78428255276
1440 176.0008264 234.601882935 0.10711374001
1441 177.0086514 907.049053192 0.414137411194
1442 179.0021474 529.438934326 0.241729450988
1443 179.9947174 230.910499573 0.105428340589
1444 184.0032324 274.209452311 0.125197631049
1445 193.0035664 95830.7046577 43.7540613709
1446 194.0003144 438.198239645 0.20007108096
1447 195.0192164 1151.08917236 0.525560429413
1448 196.0286964 1119.2911377 0.511042189512
1449 197.0212664 464.43107605 0.212048381327
1450 199.0714904 412.669647217 0.188415321944
1451 200.0751374 336.69682312 0.153727905005
1452 211.0141314 18398.1219075 8.40015272692
1453 212.0176224 281.387751261 0.128475074682
1454 220.9984814 219021.278608 100.0
1455 221.9952294 932.389709473 0.425707362955
1456 222.0019724 6208.58984375 2.83469710487
1457 223.0131074 272.505996704 0.124419873008
1458 224.0176224 523.004806519 0.238791778517
1459 224.0195894 1011.77780151 0.461954111463
1460 224.0236114 3425.1203893 1.56382996715
1461 225.0160254 2299.60510254 1.04994597655
1462 229.0246964 266.182261149 0.12153260306
1463 235.0141314 866.191558837 0.395482833605
1464 239.0090464 25619.9534506 11.6974723248
1465 240.0125374 257.438812256 0.117540548522
1466 264.0171834 274.728988647 0.125434839205
1467 307.0355734 2006.81152344 0.916263267291
1468
1469 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]
1470 AC$MASS_SPECTROMETRY: ION_MODE NA
1471 MS$FOCUSED_ION: PRECURSOR_M/Z 353.040466309
1472 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
1473 CH$FORMULA: CH150NOPS4
1474 AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE hcd
1475 AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20.00, 80.00, 40.00
1476 PK$NUM_PEAK: 2
1477 PK$PEAK: m/z int. rel.int.
1478 110.0793604 240.905975342 77.6891707652
1479 137.0456324 310.089518229 100.0
1480
1481 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]
1482 AC$MASS_SPECTROMETRY: ION_MODE NA
1483 MS$FOCUSED_ION: PRECURSOR_M/Z 353.040466309
1484 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
1485 CH$FORMULA: C4H16O18
1486 AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE hcd
1487 AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20.00, 80.00
1488 PK$NUM_PEAK: 5
1489 PK$PEAK: m/z int. rel.int.
1490 71.0127564 207.915283203 10.3604788379
1491 263.0092514 671.352722168 33.4537007749
1492 264.0170764 274.728988647 13.6898251499
1493 281.0198164 258.13458252 12.8629210818
1494 307.0354664 2006.81152344 100.0
1495
1496 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]
1497 AC$MASS_SPECTROMETRY: ION_MODE NA
1498 MS$FOCUSED_ION: PRECURSOR_M/Z 353.040466309
1499 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
1500 CH$FORMULA: C6H19N5O4PS3
1501 AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE hcd
1502 AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20.00, 80.00, 40.00
1503 PK$NUM_PEAK: 58
1504 PK$PEAK: m/z int. rel.int.
1505 71.0127564 207.915283203 0.0949292619074
1506 76.0215474 379.493642171 0.173267932953
1507 86.0964254 371.63130188 0.169678172021
1508 105.0004784 396.980895996 0.181252204589
1509 109.0760244 364.92791748 0.166617563279
1510 110.0712734 717.586954752 0.327633442427
1511 110.0793604 240.905975342 0.109992041354
1512 122.0270274 4137.30795628 1.88899817523
1513 123.0266104 532.023727417 0.242909607138
1514 123.0304494 2251.09712728 1.02779836808
1515 124.0227074 796.784576416 0.363793226612
1516 125.9977524 231.322723389 0.105616552355
1517 130.0498704 971.771247862 0.443688053525
1518 136.0760024 235.365745544 0.107462501835
1519 137.045735733 310.089518229 0.141579631075
1520 139.0326024 289.75042216 0.132293274882
1521 140.0134024 548.998168945 0.250659740658
1522 147.9821024 247.580780029 0.113039601267
1523 149.9977524 1465.71541341 0.669211422161
1524 156.0769094 1264.3899231 0.577290905767
1525 165.9926674 587.422119141 0.268203218826
1526 168.0083174 682.549377441 0.311636103021
1527 177.9992554 624.539642334 0.285150212939
1528 179.00253865 422.887283325 0.193080455932
1529 179.9947794 230.910499573 0.105428340589
1530 184.0031859 274.209452311 0.125197631049
1531 185.0382384 330.458770752 0.150879756
1532 186.0412624 311.495994568 0.142221795319
1533 194.0002214 438.198239645 0.20007108096
1534 194.0067464 1652.79308065 0.754626715337
1535 195.0078904 319.455037435 0.145855708388
1536 195.0258044 1516.69664001 0.69248825943
1537 196.0252314 337.682826996 0.154178091344
1538 196.02871965 1119.2911377 0.511042189512
1539 197.02145215 464.43107605 0.212048381327
1540 199.0715999 412.669647217 0.188415321944
1541 211.0141164 18398.1219075 8.40015272692
1542 212.0173114 248.35995992 0.113395356606
1543 220.9984404 219021.278608 100.0
1544 221.9951364 932.389709473 0.425707362955
1545 222.0018174 4704.14200846 2.14780136357
1546 223.0128584 272.505996704 0.124419873008
1547 223.0207194 6413.97005208 2.9284689108
1548 224.0174674 523.004806519 0.238791778517
1549 224.0201464 1011.77780151 0.461954111463
1550 224.0235184 3425.1203893 1.56382996715
1551 225.0157764 2299.60510254 1.04994597655
1552 229.0246034 266.182261149 0.12153260306
1553 231.0437184 1878.90701294 0.85786505534
1554 232.0463614 2737.69018555 1.24996539283
1555 233.0957534 426.534858704 0.194745853651
1556 235.0140384 866.191558837 0.395482833605
1557 239.0091094 25619.9534506 11.6974723248
1558 241.0312844 449.311477661 0.20514512586
1559 263.0092654 671.352722168 0.30652397175
1560 264.0170904 274.728988647 0.125434839205
1561 281.0198304 258.13458252 0.117858220973
1562 307.0354804 2006.81152344 0.916263267291
1563
1564 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]
1565 AC$MASS_SPECTROMETRY: ION_MODE NA
1566 MS$FOCUSED_ION: PRECURSOR_M/Z 353.040466309
1567 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
1568 CH$FORMULA: C5H25NO6P3S2
1569 AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE hcd
1570 AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20.00, 80.00, 40.00
1571 PK$NUM_PEAK: 40
1572 PK$PEAK: m/z int. rel.int.
1573 71.0127564 207.915283203 0.0949292619074
1574 76.0215474 379.493642171 0.173267932953
1575 86.0964254 371.63130188 0.169678172021
1576 105.0004784 396.980895996 0.181252204589
1577 110.0793604 240.905975342 0.109992041354
1578 122.0270274 4137.30795628 1.88899817523
1579 123.0266104 532.023727417 0.242909607138
1580 130.0498704 971.771247862 0.443688053525
1581 137.0456324 310.089518229 0.141579631075
1582 156.0765984 1264.3899231 0.577290905767
1583 169.0580904 596.368469238 0.272287913315
1584 174.9928464 8288.38403321 3.78428255276
1585 176.0006714 234.601882935 0.10711374001
1586 177.0084964 907.049053192 0.414137411194
1587 177.9990994 624.539642334 0.285150212939
1588 179.0023814 422.887283325 0.193080455932
1589 179.9947174 230.910499573 0.105428340589
1590 186.0416674 311.495994568 0.142221795319
1591 193.0034114 95830.7046577 43.7540613709
1592 194.0069024 1652.79308065 0.754626715337
1593 195.0190614 1151.08917236 0.525560429413
1594 196.0286964 1119.2911377 0.511042189512
1595 197.0212664 464.43107605 0.212048381327
1596 199.0714914 412.669647217 0.188415321944
1597 200.0746704 424.174110412 0.193667991123
1598 211.0139764 18398.1219075 8.40015272692
1599 212.0174674 248.35995992 0.113395356606
1600 220.9984824 219021.278608 100.0
1601 222.0018174 4704.14200846 2.14780136357
1602 224.0174674 523.004806519 0.238791778517
1603 229.0245414 266.182261149 0.12153260306
1604 232.0403104 240.709289551 0.109902239216
1605 235.0140544 866.191558837 0.395482833605
1606 239.0090474 25619.9534506 11.6974723248
1607 240.0123824 360.467781067 0.164581169171
1608 247.0142884 3453.76041667 1.57690633468
1609 263.0092034 671.352722168 0.30652397175
1610 264.0170284 274.728988647 0.125434839205
1611 281.0197684 258.13458252 0.117858220973
1612 307.0354184 2006.81152344 0.916263267291
1613
1614 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]
1615 AC$MASS_SPECTROMETRY: ION_MODE NA
1616 MS$FOCUSED_ION: PRECURSOR_M/Z 353.040466309
1617 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
1618 CH$FORMULA: C3H10N7O13
1619 AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE hcd
1620 AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20.00, 80.00, 40.00
1621 PK$NUM_PEAK: 8
1622 PK$PEAK: m/z int. rel.int.
1623 71.0127564 207.915283203 6.07030584538
1624 124.0227074 796.784576416 23.262965556
1625 185.0377504 330.458770752 9.64809213084
1626 224.0234974 3425.1203893 100.0
1627 263.0092444 671.352722168 19.6008503603
1628 264.0170694 274.728988647 8.02100240053
1629 281.0198094 258.13458252 7.53651122239
1630 307.0354594 2006.81152344 58.5909776984
1631
1632 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]
1633 AC$MASS_SPECTROMETRY: ION_MODE NA
1634 MS$FOCUSED_ION: PRECURSOR_M/Z 353.040466309
1635 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
1636 CH$FORMULA: C3H24N6OS6
1637 AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE hcd
1638 AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20.00, 80.00, 40.00
1639 PK$NUM_PEAK: 8
1640 PK$PEAK: m/z int. rel.int.
1641 76.0215474 379.493642171 8.06722334249
1642 110.0793604 240.905975342 5.12114589459
1643 184.0031394 274.209452311 5.82910660047
1644 199.0715534 412.669647217 8.77247426787
1645 222.0017244 4704.14200846 100.0
1646 224.0173744 523.004806519 11.1179638195
1647 231.0436254 1878.90701294 39.9415453351
1648 233.0956604 426.534858704 9.06721901541
1649
1650 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]
1651 AC$MASS_SPECTROMETRY: ION_MODE NA
1652 MS$FOCUSED_ION: PRECURSOR_M/Z 353.040466309
1653 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
1654 CH$FORMULA: C4H19N8OP3S2
1655 AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE hcd
1656 AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20.00, 80.00, 40.00
1657 PK$NUM_PEAK: 31
1658 PK$PEAK: m/z int. rel.int.
1659 76.0215474 379.493642171 0.396004228004
1660 110.0793604 240.905975342 0.251387043644
1661 123.0266104 532.023727417 0.555170421962
1662 123.0304494 2251.09712728 2.34903534866
1663 125.9977524 231.322723389 0.241386854261
1664 136.0760024 235.365745544 0.245605775711
1665 137.045710233 310.089518229 0.323580546899
1666 139.0327584 289.75042216 0.302356560139
1667 169.0580834 596.368469238 0.622314602995
1668 174.9928464 8288.38403321 8.64898579512
1669 176.0006714 234.601882935 0.24480867982
1670 177.0084964 907.049053192 0.946511931048
1671 179.0025214 422.887283325 0.441285791266
1672 179.9947104 230.910499573 0.240956695871
1673 186.0413484 311.495994568 0.325048214641
1674 193.0034114 95830.7046577 100.0
1675 194.0066774 1652.79308065 1.72470095733
1676 195.0190614 1151.08917236 1.20116947535
1677 196.0290704 1119.2911377 1.16798800728
1678 197.0212594 464.43107605 0.484637024959
1679 200.0746634 424.174110412 0.442628604191
1680 212.0172424 248.35995992 0.259165327863
1681 222.0017484 4704.14200846 4.90880456871
1682 223.0126334 272.505996704 0.284361883467
1683 223.0206504 6413.97005208 6.69302190252
1684 224.0173984 523.004806519 0.545759115919
1685 231.0436494 1878.90701294 1.96065240222
1686 232.0403034 240.709289551 0.251181800667
1687 233.0956844 426.534858704 0.445092061283
1688 240.0123754 360.467781067 0.37615061097
1689 241.0312154 449.311477661 0.468859619958
1690
1691 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]
1692 AC$MASS_SPECTROMETRY: ION_MODE NA
1693 MS$FOCUSED_ION: PRECURSOR_M/Z 353.040466309
1694 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
1695 CH$FORMULA: C2H145N3OP4
1696 AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE hcd
1697 AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20.00, 40.00
1698 PK$NUM_PEAK: 5
1699 PK$PEAK: m/z int. rel.int.
1700 177.9989684 624.539642334 41.1776241772
1701 195.0255174 1516.69664001 100.0
1702 200.0748624 424.174110412 27.9669710621
1703 233.0388114 530.847488403 35.0002416039
1704 240.0125744 257.438812256 16.973652177
1705
1706 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]
1707 AC$MASS_SPECTROMETRY: ION_MODE NA
1708 MS$FOCUSED_ION: PRECURSOR_M/Z 353.040466309
1709 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
1710 CH$FORMULA: C10H8N8O5S
1711 AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE hcd
1712 AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20.00, 80.00, 40.00
1713 PK$NUM_PEAK: 36
1714 PK$PEAK: m/z int. rel.int.
1715 71.0127564 207.915283203 3.34883264051
1716 76.0215474 379.493642171 6.11239672328
1717 105.0004784 396.980895996 6.39405897292
1718 109.0760244 364.92791748 5.8777907168
1719 110.0712734 717.586954752 11.5579700514
1720 122.0270274 4137.30795628 66.638448672
1721 123.0262984 532.023727417 8.56915565058
1722 124.0227074 796.784576416 12.8335837359
1723 130.0498704 971.771247862 15.6520445434
1724 137.0457874 310.089518229 4.99452413564
1725 139.0324464 289.75042216 4.66692806985
1726 140.0130904 548.998168945 8.84255817765
1727 168.0080054 682.549377441 10.9936297069
1728 169.0580834 596.368469238 9.60553820186
1729 179.0022094 529.438934326 8.52752311959
1730 179.9947794 230.910499573 3.71921008448
1731 184.0029204 274.209452311 4.41661406554
1732 185.0379264 330.458770752 5.3226059229
1733 186.0410364 311.495994568 5.01717785209
1734 194.0005324 438.198239645 7.05793506533
1735 195.0261154 1982.22833252 31.9271909146
1736 196.0250614 337.682826996 5.4389617529
1737 196.0287584 1119.2911377 18.0281056708
1738 197.0213284 464.43107605 7.48045993918
1739 212.0176224 281.387751261 4.53223289576
1740 221.9954474 932.389709473 15.0177372469
1741 222.0019724 6208.58984375 100.0
1742 223.0128229 272.505996704 4.38917698805
1743 224.0176224 523.004806519 8.42389044342
1744 224.0199764 1011.77780151 16.2964187839
1745 224.0236734 3425.1203893 55.1674450318
1746 225.0162434 2299.60510254 37.0390887531
1747 232.0465164 2737.69018555 44.0952012364
1748 241.0315954 449.311477661 7.23693284576
1749 247.0131694 885.521759033 14.2628484297
1750 264.0172454 274.728988647 4.42498209031
1751
1752 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]
1753 AC$MASS_SPECTROMETRY: ION_MODE NA
1754 MS$FOCUSED_ION: PRECURSOR_M/Z 353.040466309
1755 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
1756 CH$FORMULA: C9H12N4O9S
1757 AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE hcd
1758 AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20.00, 80.00, 40.00
1759 PK$NUM_PEAK: 33
1760 PK$PEAK: m/z int. rel.int.
1761 71.0127564 207.915283203 3.34883264051
1762 76.0215474 379.493642171 6.11239672328
1763 86.0964254 371.63130188 5.98576023272
1764 105.0004784 396.980895996 6.39405897292
1765 109.0760244 364.92791748 5.8777907168
1766 110.0712734 717.586954752 11.5579700514
1767 122.0270274 4137.30795628 66.638448672
1768 123.0262984 532.023727417 8.56915565058
1769 124.0227074 796.784576416 12.8335837359
1770 130.0498704 971.771247862 15.6520445434
1771 136.0756904 235.365745544 3.7909694708
1772 137.0457874 310.089518229 4.99452413564
1773 139.0324464 289.75042216 4.66692806985
1774 140.0130904 548.998168945 8.84255817765
1775 156.0767534 1264.3899231 20.3651707541
1776 169.0580904 596.368469238 9.60553820186
1777 179.0022094 529.438934326 8.52752311959
1778 179.9947794 230.910499573 3.71921008448
1779 185.0379264 330.458770752 5.3226059229
1780 196.0247434 337.682826996 5.4389617529
1781 199.0713344 412.669647217 6.64675324997
1782 200.0751374 336.69682312 5.42308046744
1783 212.0176224 281.387751261 4.53223289576
1784 222.0019724 6208.58984375 100.0
1785 223.0131694 272.505996704 4.38917698805
1786 224.0176224 523.004806519 8.42389044342
1787 224.0196584 1011.77780151 16.2964187839
1788 224.9924344 242.34072113 3.90331342912
1789 231.0434064 1878.90701294 30.2630236531
1790 240.0125374 257.438812256 4.14649411114
1791 247.0131694 885.521759033 14.2628484297
1792 264.0172524 274.728988647 4.42498209031
1793 277.0237344 787.013214111 12.6761991679
1794
1795 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]
1796 AC$MASS_SPECTROMETRY: ION_MODE NA
1797 MS$FOCUSED_ION: PRECURSOR_M/Z 353.040466309
1798 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
1799 CH$FORMULA: C12H21N2PS4
1800 AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE hcd
1801 AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20.00, 80.00, 40.00
1802 PK$NUM_PEAK: 12
1803 PK$PEAK: m/z int. rel.int.
1804 76.0215474 379.493642171 52.7035991101
1805 86.0964254 371.63130188 51.6116871919
1806 109.0760244 364.92791748 50.6807296083
1807 123.0264544 532.023727417 73.8867852606
1808 137.0456324 310.089518229 43.064841781
1809 139.0324464 289.75042216 40.2401737329
1810 194.0000654 438.198239645 60.8564196777
1811 195.0078904 319.455037435 44.3655132939
1812 196.0250754 337.682826996 46.896965753
1813 196.0286034 720.052612305 100.0
1814 232.0408674 240.709289551 33.429402996
1815 233.0394884 530.847488403 73.7234306676
1816
1817 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]
1818 AC$MASS_SPECTROMETRY: ION_MODE NA
1819 MS$FOCUSED_ION: PRECURSOR_M/Z 353.040466309
1820 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
1821 CH$FORMULA: C2H143N3O3P2S
1822 AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE hcd
1823 AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20.00, 80.00, 40.00
1824 PK$NUM_PEAK: 11
1825 PK$PEAK: m/z int. rel.int.
1826 76.0215474 379.493642171 13.8618184108
1827 139.0327584 289.75042216 10.5837550096
1828 200.0747319 424.174110412 15.4938682489
1829 224.0177284 523.004806519 19.103871186
1830 224.9921594 242.34072113 8.85201409603
1831 232.0408834 240.709289551 8.79242256198
1832 232.0469344 2737.69018555 100.0
1833 233.0390019 530.847488403 19.3903419461
1834 240.0126089 257.438812256 9.40350422467
1835 264.0172894 274.728988647 10.0350649645
1836 277.0237714 787.013214111 28.7473439568
1837
1838 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]
1839 AC$MASS_SPECTROMETRY: ION_MODE NA
1840 MS$FOCUSED_ION: PRECURSOR_M/Z 353.040466309
1841 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
1842 CH$FORMULA: C17H8N2O7
1843 AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE hcd
1844 AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20.00, 80.00, 40.00
1845 PK$NUM_PEAK: 24
1846 PK$PEAK: m/z int. rel.int.
1847 71.0127564 207.915283203 0.0949292619074
1848 109.0760244 364.92791748 0.166617563279
1849 130.0498704 971.771247862 0.443688053525
1850 140.0130904 548.998168945 0.250659740658
1851 168.0080054 682.549377441 0.311636103021
1852 177.0083394 907.049053192 0.414137411194
1853 184.0029204 274.209452311 0.125197631049
1854 193.0032544 95830.7046577 43.7540613709
1855 195.0076714 319.455037435 0.145855708388
1856 195.0189044 1151.08917236 0.525560429413
1857 211.0138194 18398.1219075 8.40015272692
1858 220.9981694 219021.278608 100.0
1859 221.9947614 1184.39428711 0.54076676688
1860 229.0243844 266.182261149 0.12153260306
1861 235.0138194 866.191558837 0.395482833605
1862 239.0087344 25619.9534506 11.6974723248
1863 247.0138194 2169.64108785 0.990607443093
1864 249.0294694 1576.70782471 0.719887964644
1865 259.0138194 527.621429443 0.240899620711
1866 263.0087344 671.352722168 0.30652397175
1867 264.0165594 274.728988647 0.125434839205
1868 277.0243844 787.013214111 0.359331850819
1869 281.0192994 258.13458252 0.117858220973
1870 307.0349494 2006.81152344 0.916263267291
1871
1872 RECORD_TITLE: 11_1: FTMS + p NSI d Full ms2 119.04@hcd40.00 [50.00-130.00]
1873 AC$MASS_SPECTROMETRY: ION_MODE NA
1874 MS$FOCUSED_ION: PRECURSOR_M/Z 119.035224915
1875 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
1876 CH$FORMULA: C5H2N4
1877 AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE hcd
1878 AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40.00
1879 PK$NUM_PEAK: 2
1880 PK$PEAK: m/z int. rel.int.
1881 67.0290744 727.180175781 7.00283148065
1882 92.0243234 10384.0878906 100.0
1883
1884 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]
1885 AC$MASS_SPECTROMETRY: ION_MODE NA
1886 MS$FOCUSED_ION: PRECURSOR_M/Z 269.088043213
1887 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
1888 CH$FORMULA: C8H20N3OP2S
1889 AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE hcd
1890 AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20.00, 80.00, 40.00
1891 PK$NUM_PEAK: 13
1892 PK$PEAK: m/z int. rel.int.
1893 70.0651254 813.814819336 0.414224977049
1894 82.0525494 2364.79215495 1.20365954617
1895 83.0603744 1929.60078939 0.982150759249
1896 85.0760244 944.649047852 0.480818511618
1897 86.0964254 5916.5789388 3.01148948987
1898 93.0447244 1327.61175537 0.675743345822
1899 95.0603744 4523.99552409 2.30267610962
1900 105.0447244 1210.09474691 0.615928165544
1901 110.0712734 196466.863281 100.0
1902 120.0807754 1089.25671387 0.554422611364
1903 121.0396394 1337.42224121 0.680736801551
1904 136.0756904 951.001139323 0.484051673366
1905 138.0661884 8148.97111005 4.1477585451
1906
1907 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]
1908 AC$MASS_SPECTROMETRY: ION_MODE NA
1909 MS$FOCUSED_ION: PRECURSOR_M/Z 291.070037842
1910 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
1911 CH$FORMULA: C8H16N6P2S
1912 AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE hcd
1913 AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20.00, 80.00, 40.00
1914 PK$NUM_PEAK: 8
1915 PK$PEAK: m/z int. rel.int.
1916 70.0651254 1239.52301025 20.4448813698
1917 83.0603744 603.151855469 9.94847859298
1918 86.0964254 404.994552612 6.68004185082
1919 93.0447244 458.628860474 7.56469429577
1920 95.0603744 801.591166178 13.2215668156
1921 110.0712734 2591.87412516 42.7507666869
1922 122.0712734 901.27532959 14.8657725936
1923 160.0313754 6062.75472005 100.0
1924
1925 RECORD_TITLE: 5_21: FTMS + p NSI d Full ms2 291.07@hcd80.00 [50.00-305.00]
1926 AC$MASS_SPECTROMETRY: ION_MODE NA
1927 MS$FOCUSED_ION: PRECURSOR_M/Z 291.070037842
1928 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
1929 CH$FORMULA: C6H27O2PS4
1930 AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE hcd
1931 AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80.00
1932 PK$NUM_PEAK: 1
1933 PK$PEAK: m/z int. rel.int.
1934 195.0364144 1140.4095459 100.0
1935
1936 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]
1937 AC$MASS_SPECTROMETRY: ION_MODE NA
1938 MS$FOCUSED_ION: PRECURSOR_M/Z 269.088043213
1939 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
1940 CH$FORMULA: C3H28N2OS5
1941 AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE hcd
1942 AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20.00, 40.00
1943 PK$NUM_PEAK: 2
1944 PK$PEAK: m/z int. rel.int.
1945 128.9860924 1063.96577962 95.3095299374
1946 156.9810074 1116.32675171 100.0
1947
1948 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]
1949 AC$MASS_SPECTROMETRY: ION_MODE NA
1950 MS$FOCUSED_ION: PRECURSOR_M/Z 353.040466309
1951 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
1952 CH$FORMULA: C4H143O6S2
1953 AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE hcd
1954 AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20.00, 80.00, 40.00
1955 PK$NUM_PEAK: 13
1956 PK$PEAK: m/z int. rel.int.
1957 71.0127564 207.915283203 10.3604788379
1958 105.0004784 396.980895996 19.7816731347
1959 110.0793604 240.905975342 12.0044145914
1960 200.0746704 424.174110412 21.1367188925
1961 224.0177284 523.004806519 26.0614811311
1962 232.0405714 240.709289551 11.9946136814
1963 240.0126434 257.438812256 12.8282506478
1964 247.0132754 885.521759033 44.1258059708
1965 249.0289254 1576.70782471 78.5678080026
1966 259.0132754 527.621429443 26.2915287898
1967 277.0238404 787.013214111 39.2170966191
1968 281.0187554 258.13458252 12.8629210818
1969 307.0344054 2006.81152344 100.0
1970
1971 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]
1972 AC$MASS_SPECTROMETRY: ION_MODE NA
1973 MS$FOCUSED_ION: PRECURSOR_M/Z 291.070037842
1974 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
1975 CH$FORMULA: C10H16N3O3S2
1976 AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE hcd
1977 AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20.00, 80.00, 40.00
1978 PK$NUM_PEAK: 8
1979 PK$PEAK: m/z int. rel.int.
1980 70.0651254 1239.52301025 47.8234262312
1981 83.0603744 603.151855469 23.2708776099
1982 86.0964254 404.994552612 15.6255486592
1983 93.0447244 458.628860474 17.6948739918
1984 95.0603744 801.591166178 30.9270870215
1985 110.0712734 2591.87412516 100.0
1986 122.0712734 901.27532959 34.7731134332
1987 160.0249194 1454.36535645 56.1124995357
1988
1989 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]
1990 AC$MASS_SPECTROMETRY: ION_MODE NA
1991 MS$FOCUSED_ION: PRECURSOR_M/Z 269.088043213
1992 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
1993 CH$FORMULA: C4H23N4OP3S
1994 AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE hcd
1995 AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80.00, 40.00
1996 PK$NUM_PEAK: 4
1997 PK$PEAK: m/z int. rel.int.
1998 70.0651254 813.814819336 34.4137990154
1999 82.0525494 2364.79215495 100.0
2000 83.0603744 1929.60078939 81.5970564411
2001 85.0760244 944.649047852 39.9463879257
2002
2003 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]
2004 AC$MASS_SPECTROMETRY: ION_MODE NA
2005 MS$FOCUSED_ION: PRECURSOR_M/Z 269.088043213
2006 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
2007 CH$FORMULA: C10H12N4O5
2008 AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE hcd
2009 AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20.00, 80.00, 40.00
2010 PK$NUM_PEAK: 19
2011 PK$PEAK: m/z int. rel.int.
2012 70.0651254 813.814819336 0.414224977049
2013 82.0525494 2364.79215495 1.20365954617
2014 83.0603744 1929.60078939 0.982150759249
2015 85.0760244 944.649047852 0.480818511618
2016 86.0964254 5916.5789388 3.01148948987
2017 93.0447244 1327.61175537 0.675743345822
2018 95.0603744 4523.99552409 2.30267610962
2019 105.0447244 1210.09474691 0.615928165544
2020 110.0236554 2863.59191895 1.45754447906
2021 110.0712734 196466.863281 100.0
2022 120.0807754 1089.25671387 0.554422611364
2023 121.0396394 1337.42224121 0.680736801551
2024 136.0756904 951.001139323 0.484051673366
2025 137.0457874 5325.18063693 2.71047267106
2026 138.0661884 8148.97111005 4.1477585451
2027 150.0522764 913.132537842 0.464776870049
2028 156.0767534 36110.8141277 18.3801041685
2029 166.0611034 1700.64509583 0.865614214745
2030 235.0825674 5067.24690755 2.57918654725
2031
2032 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]
2033 AC$MASS_SPECTROMETRY: ION_MODE NA
2034 MS$FOCUSED_ION: PRECURSOR_M/Z 353.040466309
2035 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
2036 CH$FORMULA: C15H16NO3P2S
2037 AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE hcd
2038 AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20.00, 80.00, 40.00
2039 PK$NUM_PEAK: 23
2040 PK$PEAK: m/z int. rel.int.
2041 71.0127564 207.915283203 5.02537605129
2042 76.0215474 379.493642171 9.17247751874
2043 86.0964254 371.63130188 8.98244234674
2044 105.0004784 396.980895996 9.59514979767
2045 122.0270274 4137.30795628 100.0
2046 123.0264544 532.023727417 12.8591763784
2047 130.0498704 971.771247862 23.4880085827
2048 136.0756904 235.365745544 5.68886213043
2049 140.0130904 548.998168945 13.2694538271
2050 168.0080054 682.549377441 16.4974274251
2051 179.0021474 529.438934326 12.796701138
2052 184.0029204 274.209452311 6.62772641555
2053 194.0001584 438.198239645 10.5913856129
2054 195.0076714 319.455037435 7.72132606058
2055 196.0286964 1119.2911377 27.0536094853
2056 200.0749394 424.174110412 10.2524181157
2057 224.9923924 242.34072113 5.85744942583
2058 232.0470114 2737.69018555 66.1708099681
2059 233.0392349 530.847488403 12.8307463213
2060 240.0126514 257.438812256 6.22237491084
2061 277.0238484 787.013214111 19.0223503405
2062 281.0187634 258.13458252 6.23919189114
2063 307.0344134 2006.81152344 48.5052489359
2064
2065 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]
2066 AC$MASS_SPECTROMETRY: ION_MODE NA
2067 MS$FOCUSED_ION: PRECURSOR_M/Z 353.040466309
2068 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
2069 CH$FORMULA: C4H145O4P2S
2070 AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE hcd
2071 AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20.00, 80.00, 40.00
2072 PK$NUM_PEAK: 7
2073 PK$PEAK: m/z int. rel.int.
2074 71.0127564 207.915283203 39.7539909025
2075 105.0004784 396.980895996 75.9038714459
2076 224.0177284 523.004806519 100.0
2077 232.0405714 240.709289551 46.024297779
2078 240.0126434 257.438812256 49.2230298933
2079 240.0949294 309.857055664 59.2455464657
2080 264.0172894 274.728988647 52.5289605798
2081
2082 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]
2083 AC$MASS_SPECTROMETRY: ION_MODE NA
2084 MS$FOCUSED_ION: PRECURSOR_M/Z 353.040466309
2085 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
2086 CH$FORMULA: C11H14NO10S
2087 AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE hcd
2088 AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20.00, 80.00, 40.00
2089 PK$NUM_PEAK: 16
2090 PK$PEAK: m/z int. rel.int.
2091 71.0127564 207.915283203 5.02537605129
2092 76.0215474 379.493642171 9.17247751874
2093 86.0964254 371.63130188 8.98244234674
2094 105.0004784 396.980895996 9.59514979767
2095 122.0270274 4137.30795628 100.0
2096 123.0262984 532.023727417 12.8591763784
2097 130.0498704 971.771247862 23.4880085827
2098 136.0756904 235.365745544 5.68886213043
2099 140.0130904 548.998168945 13.2694538271
2100 168.0080054 682.549377441 16.4974274251
2101 169.0580904 596.368469238 14.4144084883
2102 184.0029204 274.209452311 6.62772641555
2103 185.0377504 330.458770752 7.98728966381
2104 196.0247434 337.682826996 8.16189731498
2105 224.0196584 1011.77780151 24.4549792329
2106 264.0172524 274.728988647 6.64028376785
2107
2108 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]
2109 AC$MASS_SPECTROMETRY: ION_MODE NA
2110 MS$FOCUSED_ION: PRECURSOR_M/Z 353.040466309
2111 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
2112 CH$FORMULA: C16H2N9O2
2113 AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE hcd
2114 AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20.00, 80.00, 40.00
2115 PK$NUM_PEAK: 10
2116 PK$PEAK: m/z int. rel.int.
2117 71.0127564 207.915283203 0.216961029292
2118 140.0130904 548.998168945 0.572883368547
2119 168.0080054 682.549377441 0.712244973966
2120 177.0083394 907.049053192 0.946511931048
2121 193.0032544 95830.7046577 100.0
2122 195.0189044 1151.08917236 1.20116947535
2123 196.0253864 337.682826996 0.352374354548
2124 223.0124764 272.505996704 0.284361883467
2125 224.0203014 1011.77780151 1.05579710086
2126 307.0349424 2006.81152344 2.09412163941
2127
2128 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]
2129 AC$MASS_SPECTROMETRY: ION_MODE NA
2130 MS$FOCUSED_ION: PRECURSOR_M/Z 291.070037842
2131 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
2132 CH$FORMULA: C16H10N4S
2133 AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE hcd
2134 AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20.00, 80.00, 40.00
2135 PK$NUM_PEAK: 7
2136 PK$PEAK: m/z int. rel.int.
2137 70.0651254 1239.52301025 18.3822729855
2138 83.0603744 603.151855469 8.94481342196
2139 93.0447244 458.628860474 6.80152029654
2140 95.0603744 801.591166178 11.8876918924
2141 110.0712734 2591.87412516 38.4378001205
2142 122.0712734 901.27532959 13.3660198371
2143 160.0307514 6743.0345052 100.0
2144
2145 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]
2146 AC$MASS_SPECTROMETRY: ION_MODE NA
2147 MS$FOCUSED_ION: PRECURSOR_M/Z 353.040466309
2148 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
2149 CH$FORMULA: C12H13N6OPS2
2150 AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE hcd
2151 AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20.00, 80.00, 40.00
2152 PK$NUM_PEAK: 29
2153 PK$PEAK: m/z int. rel.int.
2154 76.0215474 379.493642171 4.57862039996
2155 86.0964254 371.63130188 4.48376065094
2156 109.0760244 364.92791748 4.40288379518
2157 110.0712734 717.586954752 8.65774259346
2158 123.0264544 532.023727417 6.41890777847
2159 123.0304494 2251.09712728 27.1596624657
2160 125.9977524 231.322723389 2.79092670492
2161 136.0758464 235.365745544 2.83970608265
2162 137.0458394 310.089518229 3.74125422986
2163 139.0326024 289.75042216 3.49586144898
2164 140.0132464 548.998168945 6.62370573981
2165 147.9821024 247.580780029 2.98708142669
2166 149.9977524 1465.71541341 17.6839708143
2167 174.9930014 8288.38403321 100.0
2168 176.0008264 234.601882935 2.83049002067
2169 177.0084954 907.049053192 10.9436175925
2170 179.0024434 422.887283325 5.10216806594
2171 186.0411924 311.495994568 3.75822347662
2172 194.0005324 438.198239645 5.28689594846
2173 196.0252314 337.682826996 4.07416965289
2174 196.0289144 1119.2911377 13.5043349007
2175 197.0218234 367.898071289 4.43871893261
2176 212.0167744 215.332168579 2.59799941359
2177 222.0011244 4704.14200846 56.7558403377
2178 223.0201824 6413.97005208 77.3850490805
2179 224.0199904 1011.77780151 12.2071781116
2180 231.0430254 1878.90701294 22.6691596988
2181 233.0950604 496.448181152 5.98968603727
2182 241.0307474 449.311477661 5.42097803216
2183
2184 RECORD_TITLE: 6_4: FTMS + p NSI d Full ms2 291.17@hcd80.00 [50.00-305.00]
2185 AC$MASS_SPECTROMETRY: ION_MODE NA
2186 MS$FOCUSED_ION: PRECURSOR_M/Z 291.070068359
2187 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
2188 CH$FORMULA: C8H6N10O3
2189 AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE hcd
2190 AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80.00
2191 PK$NUM_PEAK: 3
2192 PK$PEAK: m/z int. rel.int.
2193 84.0443904 529.194803874 60.024194767
2194 95.0603744 849.053141276 96.3042923823
2195 159.0261154 881.635823568 100.0
2196
2197 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]
2198 AC$MASS_SPECTROMETRY: ION_MODE NA
2199 MS$FOCUSED_ION: PRECURSOR_M/Z 291.070068359
2200 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
2201 CH$FORMULA: C9H12N3O8
2202 AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE hcd
2203 AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20.00, 80.00, 40.00
2204 PK$NUM_PEAK: 8
2205 PK$PEAK: m/z int. rel.int.
2206 70.0651254 1306.6254069 0.189279956344
2207 84.0443904 529.194803874 0.0766600502682
2208 84.0807754 448.410766602 0.0649575386169
2209 86.0964254 461.979431152 0.0669231182085
2210 95.0603744 849.053141276 0.122995267554
2211 110.0712734 2479.54288737 0.359190757348
2212 122.0712734 863.803812663 0.125132074646
2213 159.0274584 690313.666665 100.0
2214
2215 RECORD_TITLE: 6_6: FTMS + p NSI d Full ms2 291.17@hcd40.00 [50.00-305.00]
2216 AC$MASS_SPECTROMETRY: ION_MODE NA
2217 MS$FOCUSED_ION: PRECURSOR_M/Z 291.070068359
2218 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
2219 CH$FORMULA: C2H143N2O2P2
2220 AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE hcd
2221 AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40.00
2222 PK$NUM_PEAK: 1
2223 PK$PEAK: m/z int. rel.int.
2224 160.0306744 7667.22184245 100.0
2225
2226 RECORD_TITLE: 6_7: FTMS + p NSI d Full ms2 291.17@hcd40.00 [50.00-305.00]
2227 AC$MASS_SPECTROMETRY: ION_MODE NA
2228 MS$FOCUSED_ION: PRECURSOR_M/Z 291.070068359
2229 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
2230 CH$FORMULA: C3H137N6S
2231 AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE hcd
2232 AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40.00
2233 PK$NUM_PEAK: 1
2234 PK$PEAK: m/z int. rel.int.
2235 160.0306744 7667.22184245 100.0
2236
2237 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]
2238 AC$MASS_SPECTROMETRY: ION_MODE NA
2239 MS$FOCUSED_ION: PRECURSOR_M/Z 353.040466309
2240 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
2241 CH$FORMULA: C13H16N4P4
2242 AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE hcd
2243 AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20.00, 80.00, 40.00
2244 PK$NUM_PEAK: 8
2245 PK$PEAK: m/z int. rel.int.
2246 86.0964254 371.63130188 36.7305253511
2247 109.0760244 364.92791748 36.0679901195
2248 110.0712734 717.586954752 70.9233740532
2249 200.0749394 424.174110412 41.923642699
2250 224.0197034 1011.77780151 100.0
2251 233.0393564 530.847488403 52.4668052225
2252 233.0950604 496.448181152 49.0669176978
2253 240.0126514 257.438812256 25.4442044362
2254
2255 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]
2256 AC$MASS_SPECTROMETRY: ION_MODE NA
2257 MS$FOCUSED_ION: PRECURSOR_M/Z 353.040466309
2258 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
2259 CH$FORMULA: C3H137N7OS2
2260 AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE hcd
2261 AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20.00, 80.00, 40.00
2262 PK$NUM_PEAK: 3
2263 PK$PEAK: m/z int. rel.int.
2264 76.0215474 379.493642171 89.4664791781
2265 110.0793604 240.905975342 56.794125202
2266 200.0746634 424.174110412 100.0
2267
2268 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]
2269 AC$MASS_SPECTROMETRY: ION_MODE NA
2270 MS$FOCUSED_ION: PRECURSOR_M/Z 291.070068359
2271 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
2272 CH$FORMULA: C4H17N7O2PS2
2273 AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE hcd
2274 AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80.00, 40.00
2275 PK$NUM_PEAK: 3
2276 PK$PEAK: m/z int. rel.int.
2277 70.0651254 1306.6254069 100.0
2278 84.0443904 529.194803874 40.5008812074
2279 195.0879644 589.808929443 45.13986383
2280
2281 RECORD_TITLE: 6_3: FTMS + p NSI d Full ms2 291.17@hcd40.00 [50.00-305.00]
2282 AC$MASS_SPECTROMETRY: ION_MODE NA
2283 MS$FOCUSED_ION: PRECURSOR_M/Z 291.070068359
2284 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
2285 CH$FORMULA: C5H23O7PS2
2286 AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE hcd
2287 AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40.00
2288 PK$NUM_PEAK: 1
2289 PK$PEAK: m/z int. rel.int.
2290 159.0273034 1103430.95833 100.0
2291
2292 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]
2293 AC$MASS_SPECTROMETRY: ION_MODE NA
2294 MS$FOCUSED_ION: PRECURSOR_M/Z 353.040466309
2295 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
2296 CH$FORMULA: H20N9O3P2S3
2297 AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE hcd
2298 AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20.00, 80.00, 40.00
2299 PK$NUM_PEAK: 9
2300 PK$PEAK: m/z int. rel.int.
2301 123.0304494 2251.09712728 13.9202532682
2302 179.9947104 230.910499573 1.4278960234
2303 186.0414269 311.495994568 1.92621770241
2304 197.0212594 464.43107605 2.87193214628
2305 211.0143504 16171.3805339 100.0
2306 224.0178414 523.004806519 3.23413826929
2307 232.0406154 240.709289551 1.48848942764
2308 233.0389244 530.847488403 3.28263556281
2309 240.0127564 257.438812256 1.59194084708
2310
2311 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]
2312 AC$MASS_SPECTROMETRY: ION_MODE NA
2313 MS$FOCUSED_ION: PRECURSOR_M/Z 353.040466309
2314 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
2315 CH$FORMULA: CH26N2O8P2S3
2316 AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE hcd
2317 AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20.00, 80.00, 40.00
2318 PK$NUM_PEAK: 13
2319 PK$PEAK: m/z int. rel.int.
2320 110.0793604 240.905975342 12.0044145914
2321 137.0456324 310.089518229 15.4518505902
2322 169.0584024 596.368469238 29.717213713
2323 177.9994114 624.539642334 31.1209914354
2324 179.9947174 230.910499573 11.5063371361
2325 186.0416674 311.495994568 15.5219357139
2326 197.0212664 464.43107605 23.142735161
2327 199.0714914 412.669647217 20.5634481563
2328 223.0130144 272.505996704 13.5790528169
2329 231.0435634 1878.90701294 93.6264811615
2330 232.0406224 240.709289551 11.9946136814
2331 233.0389314 530.847488403 26.4522842431
2332 307.0344564 2006.81152344 100.0
2333
2334 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]
2335 AC$MASS_SPECTROMETRY: ION_MODE NA
2336 MS$FOCUSED_ION: PRECURSOR_M/Z 291.070068359
2337 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
2338 CH$FORMULA: C15H16O2P2
2339 AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE hcd
2340 AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20.00, 40.00
2341 PK$NUM_PEAK: 1
2342 PK$PEAK: m/z int. rel.int.
2343 160.0307514 6408.85164388 100.0
2344
2345 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]
2346 AC$MASS_SPECTROMETRY: ION_MODE NA
2347 MS$FOCUSED_ION: PRECURSOR_M/Z 138.049163818
2348 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
2349 CH$FORMULA: H13N2O2S2
2350 AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE hcd
2351 AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80.00, 40.00
2352 PK$NUM_PEAK: 2
2353 PK$PEAK: m/z int. rel.int.
2354 120.0385584 24575.8675232 100.0
2355 121.0225744 968.931233724 3.94261253569
2356
2357 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]
2358 AC$MASS_SPECTROMETRY: ION_MODE NA
2359 MS$FOCUSED_ION: PRECURSOR_M/Z 138.049194336
2360 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
2361 CH$FORMULA: H13N2O2S2
2362 AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE hcd
2363 AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80.00, 40.00
2364 PK$NUM_PEAK: 1
2365 PK$PEAK: m/z int. rel.int.
2366 120.0385584 20355.4366354 100.0
2367
2368 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]
2369 AC$MASS_SPECTROMETRY: ION_MODE NA
2370 MS$FOCUSED_ION: PRECURSOR_M/Z 291.070068359
2371 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
2372 CH$FORMULA: C10H16N3O3S2
2373 AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE hcd
2374 AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20.00, 80.00, 40.00
2375 PK$NUM_PEAK: 9
2376 PK$PEAK: m/z int. rel.int.
2377 70.0651254 1306.6254069 52.6962212896
2378 84.0443904 529.194803874 21.3424339853
2379 84.0807754 448.410766602 18.0844126103
2380 86.0964254 461.979431152 18.6316370451
2381 95.0603744 849.053141276 34.2423252931
2382 110.0712734 2479.54288737 100.0
2383 122.0712734 863.803812663 34.8372200805
2384 159.0262984 881.635823568 35.5563853345
2385 160.0249194 1351.09112549 54.4895243543
2386
2387 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]
2388 AC$MASS_SPECTROMETRY: ION_MODE NA
2389 MS$FOCUSED_ION: PRECURSOR_M/Z 291.070068359
2390 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
2391 CH$FORMULA: C8H16N6P2S
2392 AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE hcd
2393 AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80.00, 40.00
2394 PK$NUM_PEAK: 6
2395 PK$PEAK: m/z int. rel.int.
2396 70.0651254 1306.6254069 52.6962212896
2397 84.0807754 448.410766602 18.0844126103
2398 86.0964254 461.979431152 18.6316370451
2399 95.0603744 849.053141276 34.2423252931
2400 110.0712734 2479.54288737 100.0
2401 122.0712734 863.803812663 34.8372200805
2402
2403 RECORD_TITLE: 6_21: FTMS + p NSI d Full ms2 291.17@hcd80.00 [50.00-305.00]
2404 AC$MASS_SPECTROMETRY: ION_MODE NA
2405 MS$FOCUSED_ION: PRECURSOR_M/Z 291.070068359
2406 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
2407 CH$FORMULA: C7H22N2O2P4
2408 AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE hcd
2409 AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80.00
2410 PK$NUM_PEAK: 6
2411 PK$PEAK: m/z int. rel.int.
2412 70.0651254 1306.6254069 100.0
2413 84.0443904 529.194803874 40.5008812074
2414 84.0807754 448.410766602 34.3182341499
2415 86.0964254 461.979431152 35.3566851457
2416 95.0603744 849.053141276 64.9806085809
2417 195.0364384 1296.77543132 99.2461515345
2418
2419 RECORD_TITLE: 6_20: FTMS + p NSI d Full ms2 291.17@hcd80.00 [50.00-305.00]
2420 AC$MASS_SPECTROMETRY: ION_MODE NA
2421 MS$FOCUSED_ION: PRECURSOR_M/Z 291.070068359
2422 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
2423 CH$FORMULA: C6H27O2PS4
2424 AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE hcd
2425 AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80.00
2426 PK$NUM_PEAK: 1
2427 PK$PEAK: m/z int. rel.int.
2428 195.0364144 1296.77543132 100.0
2429
2430 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]
2431 AC$MASS_SPECTROMETRY: ION_MODE NA
2432 MS$FOCUSED_ION: PRECURSOR_M/Z 353.040466309
2433 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
2434 CH$FORMULA: C10H24O3S5
2435 AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE hcd
2436 AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20.00, 80.00, 40.00
2437 PK$NUM_PEAK: 14
2438 PK$PEAK: m/z int. rel.int.
2439 71.0127564 207.915283203 0.811536537739
2440 105.0004784 396.980895996 1.54949889648
2441 110.0793604 240.905975342 0.940306061863
2442 123.0262984 532.023727417 2.07659911812
2443 186.0412624 311.495994568 1.2158335696
2444 194.0065904 1652.79308065 6.45119470588
2445 196.0289844 1119.2911377 4.36882580547
2446 229.0241364 266.182261149 1.03896465566
2447 232.0408674 240.709289551 0.939538356366
2448 239.0084864 25619.9534506 100.0
2449 263.0084864 671.352722168 2.62042912554
2450 277.0241364 787.013214111 3.07187605017
2451 281.0190514 258.13458252 1.00755289434
2452 307.0347014 2006.81152344 7.8330022235
2453
2454 RECORD_TITLE: 12_19: FTMS + p NSI d Full ms2 353.04@hcd40.00 [50.00-365.00]
2455 AC$MASS_SPECTROMETRY: ION_MODE NA
2456 MS$FOCUSED_ION: PRECURSOR_M/Z 353.040466309
2457 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
2458 CH$FORMULA: H146NO6PS2
2459 AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE hcd
2460 AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40.00
2461 PK$NUM_PEAK: 2
2462 PK$PEAK: m/z int. rel.int.
2463 232.0408834 240.709289551 45.3443399111
2464 233.0391924 530.847488403 100.0
2465
2466 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]
2467 AC$MASS_SPECTROMETRY: ION_MODE NA
2468 MS$FOCUSED_ION: PRECURSOR_M/Z 353.040466309
2469 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
2470 CH$FORMULA: C3H15N8O6P3
2471 AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE hcd
2472 AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20.00, 80.00, 40.00
2473 PK$NUM_PEAK: 29
2474 PK$PEAK: m/z int. rel.int.
2475 71.0127564 207.915283203 6.07030584538
2476 123.0304494 2251.09712728 65.7231533908
2477 124.0227074 796.784576416 23.262965556
2478 137.0460994 320.305679321 9.35166192469
2479 156.0770654 1264.3899231 36.91519653
2480 169.0582429 596.368469238 17.4116060592
2481 179.0024594 422.887283325 12.3466399793
2482 179.9947139 230.910499573 6.74167542532
2483 186.0416639 311.495994568 9.09445389251
2484 196.0290084 1119.2911377 32.6788845494
2485 197.0212629 464.43107605 13.559554797
2486 200.0751374 336.69682312 9.83021864492
2487 223.0131004 272.505996704 7.95609980762
2488 224.0195894 1011.77780151 29.5399193754
2489 224.0239234 3425.1203893 100.0
2490 224.9923654 242.34072113 7.07539279165
2491 225.0161744 2299.60510254 67.1393948582
2492 231.0436494 1878.90701294 54.8566706972
2493 232.0402414 240.709289551 7.0277614271
2494 232.0471404 2737.69018555 79.9297506183
2495 233.0393984 530.847488403 15.4986519616
2496 233.0952584 426.534858704 12.4531347872
2497 247.0134124 2169.64108785 63.3449584613
2498 249.0290624 1576.70782471 46.0336468649
2499 259.0134124 527.621429443 15.4044637698
2500 263.0083274 671.352722168 19.6008503603
2501 277.0239774 787.013214111 22.9776803341
2502 281.0188924 258.13458252 7.53651122239
2503 307.0345424 2006.81152344 58.5909776984
2504
2505 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]
2506 AC$MASS_SPECTROMETRY: ION_MODE NA
2507 MS$FOCUSED_ION: PRECURSOR_M/Z 353.040466309
2508 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
2509 CH$FORMULA: C4H21NO11P3
2510 AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE hcd
2511 AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20.00, 80.00, 40.00
2512 PK$NUM_PEAK: 20
2513 PK$PEAK: m/z int. rel.int.
2514 71.0127564 207.915283203 7.59455121331
2515 169.0580904 596.368469238 21.7836361611
2516 179.0024594 422.887283325 15.4468641323
2517 179.9947174 230.910499573 8.43450076244
2518 185.0377504 330.458770752 12.0707146666
2519 186.0416674 311.495994568 11.3780586354
2520 197.0212664 464.43107605 16.9643401763
2521 223.0131074 272.505996704 9.95386542067
2522 224.9923724 242.34072113 8.85201409603
2523 225.0161814 2299.60510254 83.9980036705
2524 232.0471474 2737.69018555 100.0
2525 233.0952654 426.534858704 15.5800996386
2526 235.0134194 866.191558837 31.6395026512
2527 247.0134194 2169.64108785 79.2507895637
2528 249.0290694 1576.70782471 57.5926316657
2529 259.0134194 527.621429443 19.2725032302
2530 263.0083344 671.352722168 24.5225966661
2531 277.0239844 787.013214111 28.7473439568
2532 281.0188994 258.13458252 9.42891872437
2533 307.0345494 2006.81152344 73.3030908331
2534
2535 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]
2536 AC$MASS_SPECTROMETRY: ION_MODE NA
2537 MS$FOCUSED_ION: PRECURSOR_M/Z 353.040466309
2538 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
2539 CH$FORMULA: C16H10N5OS2
2540 AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE hcd
2541 AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20.00, 80.00, 40.00
2542 PK$NUM_PEAK: 14
2543 PK$PEAK: m/z int. rel.int.
2544 76.0215474 379.493642171 33.9048197015
2545 109.0760244 364.92791748 32.603484937
2546 110.0712734 717.586954752 64.1108403868
2547 123.0262984 532.023727417 47.5322022572
2548 136.0756904 235.365745544 21.0281076672
2549 137.0457874 310.089518229 27.7040984053
2550 139.0324464 289.75042216 25.8869575932
2551 140.0130904 548.998168945 49.048737228
2552 177.0083394 907.049053192 81.0378124728
2553 179.0022094 529.438934326 47.3012710004
2554 186.0410364 311.495994568 27.8297561802
2555 196.0251529 337.682826996 30.1693469753
2556 196.0287584 1119.2911377 100.0
2557 224.0198344 1011.77780151 90.3945155495
2558
2559 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]
2560 AC$MASS_SPECTROMETRY: ION_MODE NA
2561 MS$FOCUSED_ION: PRECURSOR_M/Z 353.040466309
2562 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
2563 CH$FORMULA: C2H20N6O6S4
2564 AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE hcd
2565 AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20.00, 80.00, 40.00
2566 PK$NUM_PEAK: 18
2567 PK$PEAK: m/z int. rel.int.
2568 76.0215474 379.493642171 11.0797168869
2569 110.0793604 240.905975342 7.03350387608
2570 124.0227074 796.784576416 23.262965556
2571 179.0029024 316.335632324 9.235752218
2572 179.9947794 230.910499573 6.74167542532
2573 186.0412624 311.495994568 9.09445389251
2574 196.0289844 1119.2911377 32.6788845494
2575 197.0213284 464.43107605 13.559554797
2576 199.0715534 412.669647217 12.0483253233
2577 221.9956734 680.385131836 19.8645610812
2578 224.0178414 523.004806519 15.2696765974
2579 224.0238994 3425.1203893 100.0
2580 231.0436254 1878.90701294 54.8566706972
2581 232.0404509 240.709289551 7.0277614271
2582 240.0127564 257.438812256 7.51619747616
2583 259.0133884 527.621429443 15.4044637698
2584 277.0239534 787.013214111 22.9776803341
2585 307.0345184 2006.81152344 58.5909776984
2586
2587 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]
2588 AC$MASS_SPECTROMETRY: ION_MODE NA
2589 MS$FOCUSED_ION: PRECURSOR_M/Z 353.040466309
2590 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
2591 CH$FORMULA: C9H19N5P5
2592 AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE hcd
2593 AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20.00, 80.00, 40.00
2594 PK$NUM_PEAK: 6
2595 PK$PEAK: m/z int. rel.int.
2596 86.0964254 371.63130188 36.7305253511
2597 109.0760244 364.92791748 36.0679901195
2598 110.0712734 717.586954752 70.9233740532
2599 224.0198594 1011.77780151 100.0
2600 233.0395124 530.847488403 52.4668052225
2601 233.0953724 426.534858704 42.1569694519
2602
2603 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]
2604 AC$MASS_SPECTROMETRY: ION_MODE NA
2605 MS$FOCUSED_ION: PRECURSOR_M/Z 353.040466309
2606 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
2607 CH$FORMULA: C14H136OP
2608 AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE hcd
2609 AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20.00, 40.00
2610 PK$NUM_PEAK: 1
2611 PK$PEAK: m/z int. rel.int.
2612 200.0749394 424.174110412 100.0
2613
2614 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]
2615 AC$MASS_SPECTROMETRY: ION_MODE NA
2616 MS$FOCUSED_ION: PRECURSOR_M/Z 353.040466309
2617 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
2618 CH$FORMULA: C5H15N5O9PS
2619 AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE hcd
2620 AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20.00, 80.00, 40.00
2621 PK$NUM_PEAK: 42
2622 PK$PEAK: m/z int. rel.int.
2623 71.0127564 207.915283203 0.0949292619074
2624 76.0215474 379.493642171 0.173267932953
2625 86.0964254 371.63130188 0.169678172021
2626 105.0004784 396.980895996 0.181252204589
2627 110.0712734 717.586954752 0.327633442427
2628 122.0270274 4137.30795628 1.88899817523
2629 123.0266104 532.023727417 0.242909607138
2630 123.0304494 2251.09712728 1.02779836808
2631 124.0227074 796.784576416 0.363793226612
2632 125.9977524 231.322723389 0.105616552355
2633 130.0498704 971.771247862 0.443688053525
2634 136.0760024 235.365745544 0.107462501835
2635 137.0458394 310.089518229 0.141579631075
2636 139.0327584 289.75042216 0.132293274882
2637 140.0134024 548.998168945 0.250659740658
2638 156.0770654 1264.3899231 0.577290905767
2639 169.0582464 596.368469238 0.272287913315
2640 179.0025214 422.887283325 0.193080455932
2641 179.9947794 230.910499573 0.105428340589
2642 185.0382384 330.458770752 0.150879756
2643 195.0073334 319.455037435 0.145855708388
2644 196.0247434 337.682826996 0.154178091344
2645 197.0213284 464.43107605 0.212048381327
2646 199.0716464 412.669647217 0.188415321944
2647 200.0751374 336.69682312 0.153727905005
2648 220.9978314 219021.278608 100.0
2649 223.0131694 272.505996704 0.124419873008
2650 224.0196584 1011.77780151 0.461954111463
2651 224.9924344 242.34072113 0.110647112769
2652 225.0162434 2299.60510254 1.04994597655
2653 231.0437184 1878.90701294 0.85786505534
2654 232.0403104 240.709289551 0.109902239216
2655 233.0390864 530.847488403 0.242372563879
2656 235.0134814 866.191558837 0.395482833605
2657 239.0083964 25619.9534506 11.6974723248
2658 247.0134814 2169.64108785 0.990607443093
2659 249.0291314 1576.70782471 0.719887964644
2660 259.0134814 527.621429443 0.240899620711
2661 263.0083964 671.352722168 0.30652397175
2662 277.0240464 787.013214111 0.359331850819
2663 281.0189614 258.13458252 0.117858220973
2664 307.0346114 2006.81152344 0.916263267291
2665
2666 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]
2667 AC$MASS_SPECTROMETRY: ION_MODE NA
2668 MS$FOCUSED_ION: PRECURSOR_M/Z 353.040466309
2669 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
2670 CH$FORMULA: C8H24N3P2S4
2671 AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE hcd
2672 AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20.00, 80.00, 40.00
2673 PK$NUM_PEAK: 18
2674 PK$PEAK: m/z int. rel.int.
2675 76.0215474 379.493642171 4.57862039996
2676 86.0964254 371.63130188 4.48376065094
2677 109.0760244 364.92791748 4.40288379518
2678 110.0712734 717.586954752 8.65774259346
2679 123.0264544 532.023727417 6.41890777847
2680 137.0456324 310.089518229 3.74125422986
2681 139.0326024 289.75042216 3.49586144898
2682 174.9928464 8288.38403321 100.0
2683 176.0006714 234.601882935 2.83049002067
2684 177.0084964 907.049053192 10.9436175925
2685 184.0031394 274.209452311 3.30835843528
2686 186.0411934 311.495994568 3.75822347662
2687 194.0002214 438.198239645 5.28689594846
2688 194.0065214 1652.79308065 19.9410774649
2689 195.0078904 319.455037435 3.85424994975
2690 196.0252314 337.682826996 4.07416965289
2691 196.0286034 720.052612305 8.6874909442
2692 233.0394884 530.847488403 6.404716363
2693