Mercurial > repos > tomnl > mspurity_dimspredictpuritysingle

comparison test-data/createMSP_output_scans_all.msp @ 0:fc9bb7e49a3a draft

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planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2948ce35fa7fffe5a64711cb30be971031e79019-dirty
author tomnl
date Fri, 24 May 2019 09:02:25 -0400
parents
children 92dbd3a31caf
comparison
equal deleted inserted replaced
-1:000000000000 0:fc9bb7e49a3a
1 RECORD_TITLE: MZ:112.0507 | RT:67.5 | grpid:12 | file:1
2 MS$FOCUSED_ION: PRECURSOR_M/Z 112.050704956055
3 AC$CHROMATOGRAPHY: RETENTION_TIME 67.47903
4 XCMS groupid (grpid): 12
5 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
6 PK$NUM_PEAK: 1
7 PK$PEAK: m/z int. rel.int.
8 112.050888061523 440629.6875 100
9
10 RECORD_TITLE: MZ:112.0507 | RT:67.5 | grpid:12 | file:1
11 MS$FOCUSED_ION: PRECURSOR_M/Z 112.050704956055
12 AC$CHROMATOGRAPHY: RETENTION_TIME 67.47903
13 XCMS groupid (grpid): 12
14 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
15 PK$NUM_PEAK: 1
16 PK$PEAK: m/z int. rel.int.
17 112.050888061523 440629.6875 100
18
19 RECORD_TITLE: MZ:112.0507 | RT:67.6 | grpid:12 | file:2
20 MS$FOCUSED_ION: PRECURSOR_M/Z 112.050743103027
21 AC$CHROMATOGRAPHY: RETENTION_TIME 67.634034
22 XCMS groupid (grpid): 12
23 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
24 PK$NUM_PEAK: 2
25 PK$PEAK: m/z int. rel.int.
26 112.050880432129 565117.25 100
27 126.53768157959 2499.31469726562 0.44
28
29 RECORD_TITLE: MZ:112.0507 | RT:67.6 | grpid:12 | file:2
30 MS$FOCUSED_ION: PRECURSOR_M/Z 112.050743103027
31 AC$CHROMATOGRAPHY: RETENTION_TIME 67.634034
32 XCMS groupid (grpid): 12
33 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
34 PK$NUM_PEAK: 2
35 PK$PEAK: m/z int. rel.int.
36 112.050880432129 565117.25 100
37 126.53768157959 2499.31469726562 0.44
38
39 RECORD_TITLE: MZ:113.0347 | RT:83.4 | grpid:14 | file:1
40 MS$FOCUSED_ION: PRECURSOR_M/Z 113.034736633301
41 AC$CHROMATOGRAPHY: RETENTION_TIME 83.441172
42 XCMS groupid (grpid): 14
43 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
44 PK$NUM_PEAK: 1
45 PK$PEAK: m/z int. rel.int.
46 113.034782409668 13262784 100
47
48 RECORD_TITLE: MZ:113.0347 | RT:83.4 | grpid:14 | file:1
49 MS$FOCUSED_ION: PRECURSOR_M/Z 113.034736633301
50 AC$CHROMATOGRAPHY: RETENTION_TIME 83.441172
51 XCMS groupid (grpid): 14
52 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
53 PK$NUM_PEAK: 1
54 PK$PEAK: m/z int. rel.int.
55 113.034782409668 13262784 100
56
57 RECORD_TITLE: MZ:113.0347 | RT:83.6 | grpid:14 | file:2
58 MS$FOCUSED_ION: PRECURSOR_M/Z 113.034736633301
59 AC$CHROMATOGRAPHY: RETENTION_TIME 83.64567
60 XCMS groupid (grpid): 14
61 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
62 PK$NUM_PEAK: 2
63 PK$PEAK: m/z int. rel.int.
64 112.999992370605 67035.0703125 0.84
65 113.034805297852 7964904.5 100
66
67 RECORD_TITLE: MZ:113.0347 | RT:83.6 | grpid:14 | file:2
68 MS$FOCUSED_ION: PRECURSOR_M/Z 113.034736633301
69 AC$CHROMATOGRAPHY: RETENTION_TIME 83.64567
70 XCMS groupid (grpid): 14
71 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
72 PK$NUM_PEAK: 2
73 PK$PEAK: m/z int. rel.int.
74 112.999992370605 67035.0703125 0.84
75 113.034805297852 7964904.5 100
76
77 RECORD_TITLE: MZ:113.0347 | RT:83.6 | grpid:14 | file:2
78 MS$FOCUSED_ION: PRECURSOR_M/Z 113.034713745117
79 AC$CHROMATOGRAPHY: RETENTION_TIME 83.64567
80 XCMS groupid (grpid): 14
81 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
82 PK$NUM_PEAK: 9
83 PK$PEAK: m/z int. rel.int.
84 111.010963439941 2912.13012695312 1.32
85 113.000129699707 40987.0078125 18.63
86 113.008010864258 31639.541015625 14.38
87 113.034889221191 219966.0625 100
88 113.060173034668 14124.5009765625 6.42
89 113.070793151855 3284.5654296875 1.49
90 113.107765197754 7978.56494140625 3.63
91 122.0078125 3665.08813476562 1.67
92 133.994140625 1813.58288574219 0.82
93
94 RECORD_TITLE: MZ:113.0347 | RT:83.6 | grpid:14 | file:2
95 MS$FOCUSED_ION: PRECURSOR_M/Z 113.034713745117
96 AC$CHROMATOGRAPHY: RETENTION_TIME 83.64567
97 XCMS groupid (grpid): 14
98 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
99 PK$NUM_PEAK: 9
100 PK$PEAK: m/z int. rel.int.
101 111.010963439941 2912.13012695312 1.32
102 113.000129699707 40987.0078125 18.63
103 113.008010864258 31639.541015625 14.38
104 113.034889221191 219966.0625 100
105 113.060173034668 14124.5009765625 6.42
106 113.070793151855 3284.5654296875 1.49
107 113.107765197754 7978.56494140625 3.63
108 122.0078125 3665.08813476562 1.67
109 133.994140625 1813.58288574219 0.82
110
111 RECORD_TITLE: MZ:116.0708 | RT:47.7 | grpid:17 | file:1
112 MS$FOCUSED_ION: PRECURSOR_M/Z 116.070838928223
113 AC$CHROMATOGRAPHY: RETENTION_TIME 47.662548
114 XCMS groupid (grpid): 17
115 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
116 PK$NUM_PEAK: 3
117 PK$PEAK: m/z int. rel.int.
118 116.016784667969 3725.93701171875 3.82
119 116.070854187012 97631.5859375 100
120 116.107086181641 3945.32666015625 4.04
121
122 RECORD_TITLE: MZ:116.0708 | RT:47.7 | grpid:17 | file:1
123 MS$FOCUSED_ION: PRECURSOR_M/Z 116.070838928223
124 AC$CHROMATOGRAPHY: RETENTION_TIME 47.662548
125 XCMS groupid (grpid): 17
126 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
127 PK$NUM_PEAK: 3
128 PK$PEAK: m/z int. rel.int.
129 116.016784667969 3725.93701171875 3.82
130 116.070854187012 97631.5859375 100
131 116.107086181641 3945.32666015625 4.04
132
133 RECORD_TITLE: MZ:116.0708 | RT:47.7 | grpid:17 | file:1
134 MS$FOCUSED_ION: PRECURSOR_M/Z 116.070831298828
135 AC$CHROMATOGRAPHY: RETENTION_TIME 47.662548
136 XCMS groupid (grpid): 17
137 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
138 PK$NUM_PEAK: 4
139 PK$PEAK: m/z int. rel.int.
140 103.129020690918 4419.71240234375 0.25
141 116.016410827637 5682.14404296875 0.32
142 116.070899963379 1782171 100
143 130.027648925781 4081.13793945312 0.23
144
145 RECORD_TITLE: MZ:116.0708 | RT:47.7 | grpid:17 | file:1
146 MS$FOCUSED_ION: PRECURSOR_M/Z 116.070831298828
147 AC$CHROMATOGRAPHY: RETENTION_TIME 47.662548
148 XCMS groupid (grpid): 17
149 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
150 PK$NUM_PEAK: 4
151 PK$PEAK: m/z int. rel.int.
152 103.129020690918 4419.71240234375 0.25
153 116.016410827637 5682.14404296875 0.32
154 116.070899963379 1782171 100
155 130.027648925781 4081.13793945312 0.23
156
157 RECORD_TITLE: MZ:116.0708 | RT:47.7 | grpid:17 | file:1
158 MS$FOCUSED_ION: PRECURSOR_M/Z 116.070770263672
159 AC$CHROMATOGRAPHY: RETENTION_TIME 47.662548
160 XCMS groupid (grpid): 17
161 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
162 PK$NUM_PEAK: 3
163 PK$PEAK: m/z int. rel.int.
164 116.016830444336 14364.7841796875 9.61
165 116.070922851562 149471.265625 100
166 116.107421875 8359.9033203125 5.59
167
168 RECORD_TITLE: MZ:116.0708 | RT:47.7 | grpid:17 | file:1
169 MS$FOCUSED_ION: PRECURSOR_M/Z 116.070770263672
170 AC$CHROMATOGRAPHY: RETENTION_TIME 47.662548
171 XCMS groupid (grpid): 17
172 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
173 PK$NUM_PEAK: 3
174 PK$PEAK: m/z int. rel.int.
175 116.016830444336 14364.7841796875 9.61
176 116.070922851562 149471.265625 100
177 116.107421875 8359.9033203125 5.59
178
179 RECORD_TITLE: MZ:116.0708 | RT:47.8 | grpid:17 | file:2
180 MS$FOCUSED_ION: PRECURSOR_M/Z 116.070816040039
181 AC$CHROMATOGRAPHY: RETENTION_TIME 47.814411
182 XCMS groupid (grpid): 17
183 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
184 PK$NUM_PEAK: 4
185 PK$PEAK: m/z int. rel.int.
186 107.270111083984 1726.61291503906 1.71
187 116.016410827637 2890.4951171875 2.87
188 116.070892333984 100876.1328125 100
189 116.107200622559 2424.61303710938 2.4
190
191 RECORD_TITLE: MZ:116.0708 | RT:47.8 | grpid:17 | file:2
192 MS$FOCUSED_ION: PRECURSOR_M/Z 116.070816040039
193 AC$CHROMATOGRAPHY: RETENTION_TIME 47.814411
194 XCMS groupid (grpid): 17
195 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
196 PK$NUM_PEAK: 4
197 PK$PEAK: m/z int. rel.int.
198 107.270111083984 1726.61291503906 1.71
199 116.016410827637 2890.4951171875 2.87
200 116.070892333984 100876.1328125 100
201 116.107200622559 2424.61303710938 2.4
202
203 RECORD_TITLE: MZ:116.0708 | RT:47.8 | grpid:17 | file:2
204 MS$FOCUSED_ION: PRECURSOR_M/Z 116.070823669434
205 AC$CHROMATOGRAPHY: RETENTION_TIME 47.814411
206 XCMS groupid (grpid): 17
207 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
208 PK$NUM_PEAK: 1
209 PK$PEAK: m/z int. rel.int.
210 116.070892333984 1847702.625 100
211
212 RECORD_TITLE: MZ:116.0708 | RT:47.8 | grpid:17 | file:2
213 MS$FOCUSED_ION: PRECURSOR_M/Z 116.070823669434
214 AC$CHROMATOGRAPHY: RETENTION_TIME 47.814411
215 XCMS groupid (grpid): 17
216 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
217 PK$NUM_PEAK: 1
218 PK$PEAK: m/z int. rel.int.
219 116.070892333984 1847702.625 100
220
221 RECORD_TITLE: MZ:116.0708 | RT:47.8 | grpid:17 | file:2
222 MS$FOCUSED_ION: PRECURSOR_M/Z 116.070785522461
223 AC$CHROMATOGRAPHY: RETENTION_TIME 47.814411
224 XCMS groupid (grpid): 17
225 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
226 PK$NUM_PEAK: 3
227 PK$PEAK: m/z int. rel.int.
228 116.016609191895 4434.369140625 2.68
229 116.070899963379 165623.640625 100
230 116.107322692871 11372.48828125 6.87
231
232 RECORD_TITLE: MZ:116.0708 | RT:47.8 | grpid:17 | file:2
233 MS$FOCUSED_ION: PRECURSOR_M/Z 116.070785522461
234 AC$CHROMATOGRAPHY: RETENTION_TIME 47.814411
235 XCMS groupid (grpid): 17
236 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
237 PK$NUM_PEAK: 3
238 PK$PEAK: m/z int. rel.int.
239 116.016609191895 4434.369140625 2.68
240 116.070899963379 165623.640625 100
241 116.107322692871 11372.48828125 6.87
242
243 RECORD_TITLE: MZ:132.1018 | RT:73.5 | grpid:41 | file:1
244 MS$FOCUSED_ION: PRECURSOR_M/Z 132.101821899414
245 AC$CHROMATOGRAPHY: RETENTION_TIME 73.529172
246 XCMS groupid (grpid): 41
247 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
248 PK$NUM_PEAK: 2
249 PK$PEAK: m/z int. rel.int.
250 117.877166748047 5004.6640625 1.83
251 132.101867675781 273406.25 100
252
253 RECORD_TITLE: MZ:132.1018 | RT:73.5 | grpid:41 | file:1
254 MS$FOCUSED_ION: PRECURSOR_M/Z 132.101821899414
255 AC$CHROMATOGRAPHY: RETENTION_TIME 73.529172
256 XCMS groupid (grpid): 41
257 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
258 PK$NUM_PEAK: 2
259 PK$PEAK: m/z int. rel.int.
260 117.877166748047 5004.6640625 1.83
261 132.101867675781 273406.25 100
262
263 RECORD_TITLE: MZ:132.1019 | RT:73.5 | grpid:41 | file:1
264 MS$FOCUSED_ION: PRECURSOR_M/Z 132.101867675781
265 AC$CHROMATOGRAPHY: RETENTION_TIME 73.529172
266 XCMS groupid (grpid): 41
267 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
268 PK$NUM_PEAK: 2
269 PK$PEAK: m/z int. rel.int.
270 130.186950683594 121726.4453125 3.06
271 132.102035522461 3973065.5 100
272
273 RECORD_TITLE: MZ:132.1019 | RT:73.5 | grpid:41 | file:1
274 MS$FOCUSED_ION: PRECURSOR_M/Z 132.101867675781
275 AC$CHROMATOGRAPHY: RETENTION_TIME 73.529172
276 XCMS groupid (grpid): 41
277 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
278 PK$NUM_PEAK: 2
279 PK$PEAK: m/z int. rel.int.
280 130.186950683594 121726.4453125 3.06
281 132.102035522461 3973065.5 100
282
283 RECORD_TITLE: MZ:132.1019 | RT:73.5 | grpid:41 | file:1
284 MS$FOCUSED_ION: PRECURSOR_M/Z 132.101852416992
285 AC$CHROMATOGRAPHY: RETENTION_TIME 73.529172
286 XCMS groupid (grpid): 41
287 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
288 PK$NUM_PEAK: 1
289 PK$PEAK: m/z int. rel.int.
290 132.102142333984 77799.46875 100
291
292 RECORD_TITLE: MZ:132.1019 | RT:73.5 | grpid:41 | file:1
293 MS$FOCUSED_ION: PRECURSOR_M/Z 132.101852416992
294 AC$CHROMATOGRAPHY: RETENTION_TIME 73.529172
295 XCMS groupid (grpid): 41
296 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
297 PK$NUM_PEAK: 1
298 PK$PEAK: m/z int. rel.int.
299 132.102142333984 77799.46875 100
300
301 RECORD_TITLE: MZ:132.1019 | RT:73.7 | grpid:41 | file:2
302 MS$FOCUSED_ION: PRECURSOR_M/Z 132.101852416992
303 AC$CHROMATOGRAPHY: RETENTION_TIME 73.692786
304 XCMS groupid (grpid): 41
305 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
306 PK$NUM_PEAK: 3
307 PK$PEAK: m/z int. rel.int.
308 132.101989746094 402822.6875 100
309 144.278900146484 7715.68994140625 1.92
310 146.682891845703 7014.509765625 1.74
311
312 RECORD_TITLE: MZ:132.1019 | RT:73.7 | grpid:41 | file:2
313 MS$FOCUSED_ION: PRECURSOR_M/Z 132.101852416992
314 AC$CHROMATOGRAPHY: RETENTION_TIME 73.692786
315 XCMS groupid (grpid): 41
316 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
317 PK$NUM_PEAK: 3
318 PK$PEAK: m/z int. rel.int.
319 132.101989746094 402822.6875 100
320 144.278900146484 7715.68994140625 1.92
321 146.682891845703 7014.509765625 1.74
322
323 RECORD_TITLE: MZ:132.1018 | RT:73.7 | grpid:41 | file:2
324 MS$FOCUSED_ION: PRECURSOR_M/Z 132.101806640625
325 AC$CHROMATOGRAPHY: RETENTION_TIME 73.692786
326 XCMS groupid (grpid): 41
327 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
328 PK$NUM_PEAK: 2
329 PK$PEAK: m/z int. rel.int.
330 104.964813232422 111113.6796875 3.34
331 132.102066040039 3328366.75 100
332
333 RECORD_TITLE: MZ:132.1018 | RT:73.7 | grpid:41 | file:2
334 MS$FOCUSED_ION: PRECURSOR_M/Z 132.101806640625
335 AC$CHROMATOGRAPHY: RETENTION_TIME 73.692786
336 XCMS groupid (grpid): 41
337 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
338 PK$NUM_PEAK: 2
339 PK$PEAK: m/z int. rel.int.
340 104.964813232422 111113.6796875 3.34
341 132.102066040039 3328366.75 100
342
343 RECORD_TITLE: MZ:132.1019 | RT:73.7 | grpid:41 | file:2
344 MS$FOCUSED_ION: PRECURSOR_M/Z 132.10188293457
345 AC$CHROMATOGRAPHY: RETENTION_TIME 73.692786
346 XCMS groupid (grpid): 41
347 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
348 PK$NUM_PEAK: 2
349 PK$PEAK: m/z int. rel.int.
350 115.43724822998 2424.57958984375 3.61
351 132.102035522461 67118.03125 100
352
353 RECORD_TITLE: MZ:132.1019 | RT:73.7 | grpid:41 | file:2
354 MS$FOCUSED_ION: PRECURSOR_M/Z 132.10188293457
355 AC$CHROMATOGRAPHY: RETENTION_TIME 73.692786
356 XCMS groupid (grpid): 41
357 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
358 PK$NUM_PEAK: 2
359 PK$PEAK: m/z int. rel.int.
360 115.43724822998 2424.57958984375 3.61
361 132.102035522461 67118.03125 100
362
363 RECORD_TITLE: MZ:137.0457 | RT:127 | grpid:47 | file:1
364 MS$FOCUSED_ION: PRECURSOR_M/Z 137.045669555664
365 AC$CHROMATOGRAPHY: RETENTION_TIME 126.956946
366 XCMS groupid (grpid): 47
367 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
368 PK$NUM_PEAK: 7
369 PK$PEAK: m/z int. rel.int.
370 110.03524017334 25444.263671875 4.06
371 112.051010131836 2055.68725585938 0.33
372 119.035636901855 19219.568359375 3.07
373 127.993309020996 1960.09631347656 0.31
374 136.124038696289 2269.25805664062 0.36
375 137.045867919922 626313 100
376 154.112442016602 2006.76232910156 0.32
377
378 RECORD_TITLE: MZ:137.0457 | RT:127 | grpid:47 | file:1
379 MS$FOCUSED_ION: PRECURSOR_M/Z 137.045669555664
380 AC$CHROMATOGRAPHY: RETENTION_TIME 126.956946
381 XCMS groupid (grpid): 47
382 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
383 PK$NUM_PEAK: 7
384 PK$PEAK: m/z int. rel.int.
385 110.03524017334 25444.263671875 4.06
386 112.051010131836 2055.68725585938 0.33
387 119.035636901855 19219.568359375 3.07
388 127.993309020996 1960.09631347656 0.31
389 136.124038696289 2269.25805664062 0.36
390 137.045867919922 626313 100
391 154.112442016602 2006.76232910156 0.32
392
393 RECORD_TITLE: MZ:137.0456 | RT:127 | grpid:47 | file:1
394 MS$FOCUSED_ION: PRECURSOR_M/Z 137.045639038086
395 AC$CHROMATOGRAPHY: RETENTION_TIME 126.956946
396 XCMS groupid (grpid): 47
397 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
398 PK$NUM_PEAK: 9
399 PK$PEAK: m/z int. rel.int.
400 104.860054016113 30638.400390625 0.09
401 110.028198242188 67928.296875 0.21
402 110.035293579102 1441146.625 4.36
403 110.559509277344 33952.66015625 0.1
404 112.050506591797 73567.3125 0.22
405 119.035423278809 1085099.625 3.28
406 128.045852661133 75962.28125 0.23
407 137.045822143555 33090892 100
408 138.030548095703 43127.65234375 0.13
409
410 RECORD_TITLE: MZ:137.0456 | RT:127 | grpid:47 | file:1
411 MS$FOCUSED_ION: PRECURSOR_M/Z 137.045639038086
412 AC$CHROMATOGRAPHY: RETENTION_TIME 126.956946
413 XCMS groupid (grpid): 47
414 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
415 PK$NUM_PEAK: 9
416 PK$PEAK: m/z int. rel.int.
417 104.860054016113 30638.400390625 0.09
418 110.028198242188 67928.296875 0.21
419 110.035293579102 1441146.625 4.36
420 110.559509277344 33952.66015625 0.1
421 112.050506591797 73567.3125 0.22
422 119.035423278809 1085099.625 3.28
423 128.045852661133 75962.28125 0.23
424 137.045822143555 33090892 100
425 138.030548095703 43127.65234375 0.13
426
427 RECORD_TITLE: MZ:137.0457 | RT:127.2 | grpid:47 | file:2
428 MS$FOCUSED_ION: PRECURSOR_M/Z 137.045669555664
429 AC$CHROMATOGRAPHY: RETENTION_TIME 127.214454
430 XCMS groupid (grpid): 47
431 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
432 PK$NUM_PEAK: 7
433 PK$PEAK: m/z int. rel.int.
434 109.06566619873 2550.77392578125 0.31
435 110.035385131836 39166.78515625 4.69
436 112.050643920898 2451.17553710938 0.29
437 119.035369873047 30733.126953125 3.68
438 137.045852661133 835163 100
439 138.029312133789 2125.6455078125 0.25
440 159.283874511719 2343.61376953125 0.28
441
442 RECORD_TITLE: MZ:137.0457 | RT:127.2 | grpid:47 | file:2
443 MS$FOCUSED_ION: PRECURSOR_M/Z 137.045669555664
444 AC$CHROMATOGRAPHY: RETENTION_TIME 127.214454
445 XCMS groupid (grpid): 47
446 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
447 PK$NUM_PEAK: 7
448 PK$PEAK: m/z int. rel.int.
449 109.06566619873 2550.77392578125 0.31
450 110.035385131836 39166.78515625 4.69
451 112.050643920898 2451.17553710938 0.29
452 119.035369873047 30733.126953125 3.68
453 137.045852661133 835163 100
454 138.029312133789 2125.6455078125 0.25
455 159.283874511719 2343.61376953125 0.28
456
457 RECORD_TITLE: MZ:137.0456 | RT:127.2 | grpid:47 | file:2
458 MS$FOCUSED_ION: PRECURSOR_M/Z 137.045623779297
459 AC$CHROMATOGRAPHY: RETENTION_TIME 127.214454
460 XCMS groupid (grpid): 47
461 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
462 PK$NUM_PEAK: 6
463 PK$PEAK: m/z int. rel.int.
464 110.035171508789 541516.5625 4.44
465 112.050842285156 21607.146484375 0.18
466 119.020355224609 16488.48828125 0.14
467 119.035461425781 370753.6875 3.04
468 128.04508972168 18434.0234375 0.15
469 137.045776367188 12204322 100
470
471 RECORD_TITLE: MZ:137.0456 | RT:127.2 | grpid:47 | file:2
472 MS$FOCUSED_ION: PRECURSOR_M/Z 137.045623779297
473 AC$CHROMATOGRAPHY: RETENTION_TIME 127.214454
474 XCMS groupid (grpid): 47
475 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
476 PK$NUM_PEAK: 6
477 PK$PEAK: m/z int. rel.int.
478 110.035171508789 541516.5625 4.44
479 112.050842285156 21607.146484375 0.18
480 119.020355224609 16488.48828125 0.14
481 119.035461425781 370753.6875 3.04
482 128.04508972168 18434.0234375 0.15
483 137.045776367188 12204322 100
484
485 RECORD_TITLE: MZ:138.0548 | RT:50.7 | grpid:48 | file:1
486 MS$FOCUSED_ION: PRECURSOR_M/Z 138.054763793945
487 AC$CHROMATOGRAPHY: RETENTION_TIME 50.6971758
488 XCMS groupid (grpid): 48
489 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
490 PK$NUM_PEAK: 9
491 PK$PEAK: m/z int. rel.int.
492 110.06037902832 154849 5.48
493 110.07154083252 10831.705078125 0.38
494 112.638984680176 2110.72314453125 0.07
495 125.82527923584 2704.64916992188 0.1
496 133.075561523438 2757.38256835938 0.1
497 138.054885864258 2827643.5 100
498 142.371643066406 2126.2236328125 0.08
499 149.295120239258 2391.84985351562 0.08
500 154.050003051758 4839.1943359375 0.17
501
502 RECORD_TITLE: MZ:138.0548 | RT:50.7 | grpid:48 | file:1
503 MS$FOCUSED_ION: PRECURSOR_M/Z 138.054763793945
504 AC$CHROMATOGRAPHY: RETENTION_TIME 50.6971758
505 XCMS groupid (grpid): 48
506 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
507 PK$NUM_PEAK: 9
508 PK$PEAK: m/z int. rel.int.
509 110.06037902832 154849 5.48
510 110.07154083252 10831.705078125 0.38
511 112.638984680176 2110.72314453125 0.07
512 125.82527923584 2704.64916992188 0.1
513 133.075561523438 2757.38256835938 0.1
514 138.054885864258 2827643.5 100
515 142.371643066406 2126.2236328125 0.08
516 149.295120239258 2391.84985351562 0.08
517 154.050003051758 4839.1943359375 0.17
518
519 RECORD_TITLE: MZ:138.0549 | RT:50.7 | grpid:48 | file:1
520 MS$FOCUSED_ION: PRECURSOR_M/Z 138.05485534668
521 AC$CHROMATOGRAPHY: RETENTION_TIME 50.6971758
522 XCMS groupid (grpid): 48
523 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
524 PK$NUM_PEAK: 5
525 PK$PEAK: m/z int. rel.int.
526 110.060394287109 809952.625 6.12
527 110.07243347168 14605.1689453125 0.11
528 133.07551574707 8368.701171875 0.06
529 138.054916381836 13243313 100
530 154.049591064453 40592.00390625 0.31
531
532 RECORD_TITLE: MZ:138.0549 | RT:50.7 | grpid:48 | file:1
533 MS$FOCUSED_ION: PRECURSOR_M/Z 138.05485534668
534 AC$CHROMATOGRAPHY: RETENTION_TIME 50.6971758
535 XCMS groupid (grpid): 48
536 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
537 PK$NUM_PEAK: 5
538 PK$PEAK: m/z int. rel.int.
539 110.060394287109 809952.625 6.12
540 110.07243347168 14605.1689453125 0.11
541 133.07551574707 8368.701171875 0.06
542 138.054916381836 13243313 100
543 154.049591064453 40592.00390625 0.31
544
545 RECORD_TITLE: MZ:138.0547 | RT:50.7 | grpid:48 | file:1
546 MS$FOCUSED_ION: PRECURSOR_M/Z 138.054748535156
547 AC$CHROMATOGRAPHY: RETENTION_TIME 50.6971758
548 XCMS groupid (grpid): 48
549 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
550 PK$NUM_PEAK: 15
551 PK$PEAK: m/z int. rel.int.
552 104.561706542969 2237.48193359375 0.8
553 105.649337768555 1918.06628417969 0.69
554 110.060264587402 14235.369140625 5.1
555 112.067329406738 3035.64477539062 1.09
556 112.076034545898 2861.85229492188 1.03
557 114.089561462402 7900.39501953125 2.83
558 122.043327331543 19102.623046875 6.85
559 122.060127258301 17191.40234375 6.16
560 125.941802978516 2050.11328125 0.73
561 132.706451416016 2605.63745117188 0.93
562 138.054718017578 7778.22119140625 2.79
563 140.059799194336 278945.53125 100
564 140.068283081055 34274.2890625 12.29
565 151.918930053711 2187.79418945312 0.78
566 154.676849365234 1895.96264648438 0.68
567
568 RECORD_TITLE: MZ:138.0547 | RT:50.7 | grpid:48 | file:1
569 MS$FOCUSED_ION: PRECURSOR_M/Z 138.054748535156
570 AC$CHROMATOGRAPHY: RETENTION_TIME 50.6971758
571 XCMS groupid (grpid): 48
572 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
573 PK$NUM_PEAK: 15
574 PK$PEAK: m/z int. rel.int.
575 104.561706542969 2237.48193359375 0.8
576 105.649337768555 1918.06628417969 0.69
577 110.060264587402 14235.369140625 5.1
578 112.067329406738 3035.64477539062 1.09
579 112.076034545898 2861.85229492188 1.03
580 114.089561462402 7900.39501953125 2.83
581 122.043327331543 19102.623046875 6.85
582 122.060127258301 17191.40234375 6.16
583 125.941802978516 2050.11328125 0.73
584 132.706451416016 2605.63745117188 0.93
585 138.054718017578 7778.22119140625 2.79
586 140.059799194336 278945.53125 100
587 140.068283081055 34274.2890625 12.29
588 151.918930053711 2187.79418945312 0.78
589 154.676849365234 1895.96264648438 0.68
590
591 RECORD_TITLE: MZ:138.0548 | RT:50.7 | grpid:48 | file:1
592 MS$FOCUSED_ION: PRECURSOR_M/Z 138.054809570312
593 AC$CHROMATOGRAPHY: RETENTION_TIME 50.6971758
594 XCMS groupid (grpid): 48
595 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
596 PK$NUM_PEAK: 4
597 PK$PEAK: m/z int. rel.int.
598 110.060348510742 36283.7578125 6.69
599 110.07194519043 2731.20166015625 0.5
600 138.018905639648 16821.951171875 3.1
601 138.055023193359 542459.3125 100
602
603 RECORD_TITLE: MZ:138.0548 | RT:50.7 | grpid:48 | file:1
604 MS$FOCUSED_ION: PRECURSOR_M/Z 138.054809570312
605 AC$CHROMATOGRAPHY: RETENTION_TIME 50.6971758
606 XCMS groupid (grpid): 48
607 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
608 PK$NUM_PEAK: 4
609 PK$PEAK: m/z int. rel.int.
610 110.060348510742 36283.7578125 6.69
611 110.07194519043 2731.20166015625 0.5
612 138.018905639648 16821.951171875 3.1
613 138.055023193359 542459.3125 100
614
615 RECORD_TITLE: MZ:138.0548 | RT:50.8 | grpid:48 | file:2
616 MS$FOCUSED_ION: PRECURSOR_M/Z 138.054809570312
617 AC$CHROMATOGRAPHY: RETENTION_TIME 50.8435338
618 XCMS groupid (grpid): 48
619 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
620 PK$NUM_PEAK: 7
621 PK$PEAK: m/z int. rel.int.
622 110.060409545898 151747.359375 6.55
623 110.071807861328 12626.90234375 0.54
624 128.93376159668 2266.6416015625 0.1
625 136.491333007812 2493.95458984375 0.11
626 138.054901123047 2317689.75 100
627 154.049453735352 5643.62890625 0.24
628 159.010818481445 2415.3876953125 0.1
629
630 RECORD_TITLE: MZ:138.0548 | RT:50.8 | grpid:48 | file:2
631 MS$FOCUSED_ION: PRECURSOR_M/Z 138.054809570312
632 AC$CHROMATOGRAPHY: RETENTION_TIME 50.8435338
633 XCMS groupid (grpid): 48
634 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
635 PK$NUM_PEAK: 7
636 PK$PEAK: m/z int. rel.int.
637 110.060409545898 151747.359375 6.55
638 110.071807861328 12626.90234375 0.54
639 128.93376159668 2266.6416015625 0.1
640 136.491333007812 2493.95458984375 0.11
641 138.054901123047 2317689.75 100
642 154.049453735352 5643.62890625 0.24
643 159.010818481445 2415.3876953125 0.1
644
645 RECORD_TITLE: MZ:138.0548 | RT:50.8 | grpid:48 | file:2
646 MS$FOCUSED_ION: PRECURSOR_M/Z 138.054809570312
647 AC$CHROMATOGRAPHY: RETENTION_TIME 50.8435338
648 XCMS groupid (grpid): 48
649 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
650 PK$NUM_PEAK: 4
651 PK$PEAK: m/z int. rel.int.
652 110.060356140137 460011.53125 6.05
653 133.075698852539 4484.33251953125 0.06
654 138.054885864258 7605866.5 100
655 154.049728393555 24022.63671875 0.32
656
657 RECORD_TITLE: MZ:138.0548 | RT:50.8 | grpid:48 | file:2
658 MS$FOCUSED_ION: PRECURSOR_M/Z 138.054809570312
659 AC$CHROMATOGRAPHY: RETENTION_TIME 50.8435338
660 XCMS groupid (grpid): 48
661 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
662 PK$NUM_PEAK: 4
663 PK$PEAK: m/z int. rel.int.
664 110.060356140137 460011.53125 6.05
665 133.075698852539 4484.33251953125 0.06
666 138.054885864258 7605866.5 100
667 154.049728393555 24022.63671875 0.32
668
669 RECORD_TITLE: MZ:138.0548 | RT:50.8 | grpid:48 | file:2
670 MS$FOCUSED_ION: PRECURSOR_M/Z 138.054824829102
671 AC$CHROMATOGRAPHY: RETENTION_TIME 50.8435338
672 XCMS groupid (grpid): 48
673 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
674 PK$NUM_PEAK: 9
675 PK$PEAK: m/z int. rel.int.
676 110.060348510742 4069.12109375 5.01
677 122.04337310791 4113.560546875 5.07
678 122.060043334961 10164.9873046875 12.53
679 138.054672241211 2520.85302734375 3.11
680 140.034606933594 2762.57080078125 3.4
681 140.059844970703 81146.265625 100
682 140.068984985352 20009.826171875 24.66
683 140.080047607422 3898.39721679688 4.8
684 140.11799621582 2213.65893554688 2.73
685
686 RECORD_TITLE: MZ:138.0548 | RT:50.8 | grpid:48 | file:2
687 MS$FOCUSED_ION: PRECURSOR_M/Z 138.054824829102
688 AC$CHROMATOGRAPHY: RETENTION_TIME 50.8435338
689 XCMS groupid (grpid): 48
690 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
691 PK$NUM_PEAK: 9
692 PK$PEAK: m/z int. rel.int.
693 110.060348510742 4069.12109375 5.01
694 122.04337310791 4113.560546875 5.07
695 122.060043334961 10164.9873046875 12.53
696 138.054672241211 2520.85302734375 3.11
697 140.034606933594 2762.57080078125 3.4
698 140.059844970703 81146.265625 100
699 140.068984985352 20009.826171875 24.66
700 140.080047607422 3898.39721679688 4.8
701 140.11799621582 2213.65893554688 2.73
702
703 RECORD_TITLE: MZ:138.0548 | RT:50.8 | grpid:48 | file:2
704 MS$FOCUSED_ION: PRECURSOR_M/Z 138.054779052734
705 AC$CHROMATOGRAPHY: RETENTION_TIME 50.8435338
706 XCMS groupid (grpid): 48
707 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
708 PK$NUM_PEAK: 7
709 PK$PEAK: m/z int. rel.int.
710 107.285202026367 2362.6787109375 0.64
711 110.060592651367 32966.80859375 8.97
712 110.071556091309 3176.22973632812 0.86
713 138.017440795898 19174.861328125 5.22
714 138.05500793457 367633.15625 100
715 147.150115966797 2258.70825195312 0.61
716 154.634841918945 2410.57446289062 0.66
717
718 RECORD_TITLE: MZ:138.0548 | RT:50.8 | grpid:48 | file:2
719 MS$FOCUSED_ION: PRECURSOR_M/Z 138.054779052734
720 AC$CHROMATOGRAPHY: RETENTION_TIME 50.8435338
721 XCMS groupid (grpid): 48
722 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
723 PK$NUM_PEAK: 7
724 PK$PEAK: m/z int. rel.int.
725 107.285202026367 2362.6787109375 0.64
726 110.060592651367 32966.80859375 8.97
727 110.071556091309 3176.22973632812 0.86
728 138.017440795898 19174.861328125 5.22
729 138.05500793457 367633.15625 100
730 147.150115966797 2258.70825195312 0.61
731 154.634841918945 2410.57446289062 0.66
732
733 RECORD_TITLE: MZ:138.0488 | RT:127 | grpid:49 | file:1
734 MS$FOCUSED_ION: PRECURSOR_M/Z 138.048767089844
735 AC$CHROMATOGRAPHY: RETENTION_TIME 126.956946
736 XCMS groupid (grpid): 49
737 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
738 PK$NUM_PEAK: 7
739 PK$PEAK: m/z int. rel.int.
740 110.035133361816 4197.11962890625 1.03
741 111.032066345215 2933.20043945312 0.72
742 111.03865814209 19436.671875 4.75
743 120.031585693359 3442.69409179688 0.84
744 120.038940429688 10890.13671875 2.66
745 131.267166137695 2650.74243164062 0.65
746 138.049896240234 408864.25 100
747
748 RECORD_TITLE: MZ:138.0488 | RT:127 | grpid:49 | file:1
749 MS$FOCUSED_ION: PRECURSOR_M/Z 138.048767089844
750 AC$CHROMATOGRAPHY: RETENTION_TIME 126.956946
751 XCMS groupid (grpid): 49
752 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
753 PK$NUM_PEAK: 7
754 PK$PEAK: m/z int. rel.int.
755 110.035133361816 4197.11962890625 1.03
756 111.032066345215 2933.20043945312 0.72
757 111.03865814209 19436.671875 4.75
758 120.031585693359 3442.69409179688 0.84
759 120.038940429688 10890.13671875 2.66
760 131.267166137695 2650.74243164062 0.65
761 138.049896240234 408864.25 100
762
763 RECORD_TITLE: MZ:138.0488 | RT:126.4 | grpid:49 | file:2
764 MS$FOCUSED_ION: PRECURSOR_M/Z 138.048797607422
765 AC$CHROMATOGRAPHY: RETENTION_TIME 126.441198
766 XCMS groupid (grpid): 49
767 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
768 PK$NUM_PEAK: 5
769 PK$PEAK: m/z int. rel.int.
770 111.032066345215 4279.24560546875 0.77
771 111.038848876953 24677.09765625 4.42
772 120.038902282715 18950.03125 3.39
773 137.396865844727 3584.59228515625 0.64
774 138.05012512207 558628.8125 100
775
776 RECORD_TITLE: MZ:138.0488 | RT:126.4 | grpid:49 | file:2
777 MS$FOCUSED_ION: PRECURSOR_M/Z 138.048797607422
778 AC$CHROMATOGRAPHY: RETENTION_TIME 126.441198
779 XCMS groupid (grpid): 49
780 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
781 PK$NUM_PEAK: 5
782 PK$PEAK: m/z int. rel.int.
783 111.032066345215 4279.24560546875 0.77
784 111.038848876953 24677.09765625 4.42
785 120.038902282715 18950.03125 3.39
786 137.396865844727 3584.59228515625 0.64
787 138.05012512207 558628.8125 100
788
789 RECORD_TITLE: MZ:140.0681 | RT:46.2 | grpid:51 | file:1
790 MS$FOCUSED_ION: PRECURSOR_M/Z 140.068130493164
791 AC$CHROMATOGRAPHY: RETENTION_TIME 46.161033
792 XCMS groupid (grpid): 51
793 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
794 PK$NUM_PEAK: 4
795 PK$PEAK: m/z int. rel.int.
796 108.959754943848 2408.8056640625 0.09
797 114.089195251465 280537.40625 10.59
798 140.068115234375 2649786.75 100
799 143.032638549805 2735.88037109375 0.1
800
801 RECORD_TITLE: MZ:140.0681 | RT:46.2 | grpid:51 | file:1
802 MS$FOCUSED_ION: PRECURSOR_M/Z 140.068130493164
803 AC$CHROMATOGRAPHY: RETENTION_TIME 46.161033
804 XCMS groupid (grpid): 51
805 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
806 PK$NUM_PEAK: 4
807 PK$PEAK: m/z int. rel.int.
808 108.959754943848 2408.8056640625 0.09
809 114.089195251465 280537.40625 10.59
810 140.068115234375 2649786.75 100
811 143.032638549805 2735.88037109375 0.1
812
813 RECORD_TITLE: MZ:140.0681 | RT:46.3 | grpid:51 | file:2
814 MS$FOCUSED_ION: PRECURSOR_M/Z 140.068084716797
815 AC$CHROMATOGRAPHY: RETENTION_TIME 46.2952926
816 XCMS groupid (grpid): 51
817 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
818 PK$NUM_PEAK: 2
819 PK$PEAK: m/z int. rel.int.
820 114.089164733887 856653.625 10.81
821 140.068130493164 7923872 100
822
823 RECORD_TITLE: MZ:140.0681 | RT:46.3 | grpid:51 | file:2
824 MS$FOCUSED_ION: PRECURSOR_M/Z 140.068084716797
825 AC$CHROMATOGRAPHY: RETENTION_TIME 46.2952926
826 XCMS groupid (grpid): 51
827 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
828 PK$NUM_PEAK: 2
829 PK$PEAK: m/z int. rel.int.
830 114.089164733887 856653.625 10.81
831 140.068130493164 7923872 100
832
833 RECORD_TITLE: MZ:146.1175 | RT:46.2 | grpid:62 | file:1
834 MS$FOCUSED_ION: PRECURSOR_M/Z 146.117492675781
835 AC$CHROMATOGRAPHY: RETENTION_TIME 46.161033
836 XCMS groupid (grpid): 62
837 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
838 PK$NUM_PEAK: 8
839 PK$PEAK: m/z int. rel.int.
840 101.070411682129 2306.69653320312 0.18
841 102.055847167969 2466.92114257812 0.19
842 118.065521240234 11230.220703125 0.86
843 128.071258544922 5083.78173828125 0.39
844 130.049835205078 43469.9453125 3.31
845 130.086441040039 3820.66918945312 0.29
846 146.117553710938 1311766.875 100
847 147.075866699219 2905.49487304688 0.22
848
849 RECORD_TITLE: MZ:146.1175 | RT:46.2 | grpid:62 | file:1
850 MS$FOCUSED_ION: PRECURSOR_M/Z 146.117492675781
851 AC$CHROMATOGRAPHY: RETENTION_TIME 46.161033
852 XCMS groupid (grpid): 62
853 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
854 PK$NUM_PEAK: 8
855 PK$PEAK: m/z int. rel.int.
856 101.070411682129 2306.69653320312 0.18
857 102.055847167969 2466.92114257812 0.19
858 118.065521240234 11230.220703125 0.86
859 128.071258544922 5083.78173828125 0.39
860 130.049835205078 43469.9453125 3.31
861 130.086441040039 3820.66918945312 0.29
862 146.117553710938 1311766.875 100
863 147.075866699219 2905.49487304688 0.22
864
865 RECORD_TITLE: MZ:146.1173 | RT:46.2 | grpid:62 | file:1
866 MS$FOCUSED_ION: PRECURSOR_M/Z 146.117309570312
867 AC$CHROMATOGRAPHY: RETENTION_TIME 46.161033
868 XCMS groupid (grpid): 62
869 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
870 PK$NUM_PEAK: 11
871 PK$PEAK: m/z int. rel.int.
872 100.021820068359 11993.6435546875 1.11
873 108.055770874023 9930.2236328125 0.92
874 118.06534576416 13944.4609375 1.3
875 125.844314575195 2225.98388671875 0.21
876 128.070724487305 9680.466796875 0.9
877 130.049301147461 3144.66137695312 0.29
878 130.086624145508 3010.53491210938 0.28
879 146.028610229492 10309.349609375 0.96
880 146.059936523438 9525.1728515625 0.89
881 146.117538452148 1075921.125 100
882 150.785629272461 2500.5302734375 0.23
883
884 RECORD_TITLE: MZ:146.1173 | RT:46.2 | grpid:62 | file:1
885 MS$FOCUSED_ION: PRECURSOR_M/Z 146.117309570312
886 AC$CHROMATOGRAPHY: RETENTION_TIME 46.161033
887 XCMS groupid (grpid): 62
888 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
889 PK$NUM_PEAK: 11
890 PK$PEAK: m/z int. rel.int.
891 100.021820068359 11993.6435546875 1.11
892 108.055770874023 9930.2236328125 0.92
893 118.06534576416 13944.4609375 1.3
894 125.844314575195 2225.98388671875 0.21
895 128.070724487305 9680.466796875 0.9
896 130.049301147461 3144.66137695312 0.29
897 130.086624145508 3010.53491210938 0.28
898 146.028610229492 10309.349609375 0.96
899 146.059936523438 9525.1728515625 0.89
900 146.117538452148 1075921.125 100
901 150.785629272461 2500.5302734375 0.23
902
903 RECORD_TITLE: MZ:146.1174 | RT:46.3 | grpid:62 | file:2
904 MS$FOCUSED_ION: PRECURSOR_M/Z 146.117416381836
905 AC$CHROMATOGRAPHY: RETENTION_TIME 46.2952926
906 XCMS groupid (grpid): 62
907 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
908 PK$NUM_PEAK: 5
909 PK$PEAK: m/z int. rel.int.
910 108.055931091309 22471.4453125 0.13
911 112.465751647949 20960.951171875 0.12
912 128.070281982422 32862.80078125 0.19
913 144.766357421875 23252.271484375 0.13
914 146.117492675781 17260586 100
915
916 RECORD_TITLE: MZ:146.1174 | RT:46.3 | grpid:62 | file:2
917 MS$FOCUSED_ION: PRECURSOR_M/Z 146.117416381836
918 AC$CHROMATOGRAPHY: RETENTION_TIME 46.2952926
919 XCMS groupid (grpid): 62
920 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
921 PK$NUM_PEAK: 5
922 PK$PEAK: m/z int. rel.int.
923 108.055931091309 22471.4453125 0.13
924 112.465751647949 20960.951171875 0.12
925 128.070281982422 32862.80078125 0.19
926 144.766357421875 23252.271484375 0.13
927 146.117492675781 17260586 100
928
929 RECORD_TITLE: MZ:146.1174 | RT:46.3 | grpid:62 | file:2
930 MS$FOCUSED_ION: PRECURSOR_M/Z 146.117370605469
931 AC$CHROMATOGRAPHY: RETENTION_TIME 46.2952926
932 XCMS groupid (grpid): 62
933 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
934 PK$NUM_PEAK: 9
935 PK$PEAK: m/z int. rel.int.
936 100.021903991699 25367.83984375 9.16
937 108.055641174316 3113.50927734375 1.12
938 114.566963195801 2266.10009765625 0.82
939 115.129852294922 2413.13818359375 0.87
940 118.06534576416 21870.080078125 7.89
941 130.049789428711 2536.23486328125 0.92
942 146.028137207031 3722.75390625 1.34
943 146.059906005859 12109.3056640625 4.37
944 146.117568969727 277069.8125 100
945
946 RECORD_TITLE: MZ:146.1174 | RT:46.3 | grpid:62 | file:2
947 MS$FOCUSED_ION: PRECURSOR_M/Z 146.117370605469
948 AC$CHROMATOGRAPHY: RETENTION_TIME 46.2952926
949 XCMS groupid (grpid): 62
950 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
951 PK$NUM_PEAK: 9
952 PK$PEAK: m/z int. rel.int.
953 100.021903991699 25367.83984375 9.16
954 108.055641174316 3113.50927734375 1.12
955 114.566963195801 2266.10009765625 0.82
956 115.129852294922 2413.13818359375 0.87
957 118.06534576416 21870.080078125 7.89
958 130.049789428711 2536.23486328125 0.92
959 146.028137207031 3722.75390625 1.34
960 146.059906005859 12109.3056640625 4.37
961 146.117568969727 277069.8125 100
962
963 RECORD_TITLE: MZ:147.0438 | RT:70.5 | grpid:63 | file:1
964 MS$FOCUSED_ION: PRECURSOR_M/Z 147.043823242188
965 AC$CHROMATOGRAPHY: RETENTION_TIME 70.461672
966 XCMS groupid (grpid): 63
967 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
968 PK$NUM_PEAK: 11
969 PK$PEAK: m/z int. rel.int.
970 101.071250915527 3223.7529296875 0.09
971 102.047164916992 3041.80541992188 0.09
972 102.05525970459 4850.5537109375 0.14
973 103.054618835449 224978.265625 6.62
974 119.049324035645 3398717.25 100
975 123.77320098877 3188.40380859375 0.09
976 130.050064086914 63000.25 1.85
977 130.086273193359 109294.3984375 3.22
978 147.043960571289 952724 28.03
979 147.112701416016 13311.6767578125 0.39
980 160.07568359375 11708.4287109375 0.34
981
982 RECORD_TITLE: MZ:147.0438 | RT:70.5 | grpid:63 | file:1
983 MS$FOCUSED_ION: PRECURSOR_M/Z 147.043823242188
984 AC$CHROMATOGRAPHY: RETENTION_TIME 70.461672
985 XCMS groupid (grpid): 63
986 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
987 PK$NUM_PEAK: 11
988 PK$PEAK: m/z int. rel.int.
989 101.071250915527 3223.7529296875 0.09
990 102.047164916992 3041.80541992188 0.09
991 102.05525970459 4850.5537109375 0.14
992 103.054618835449 224978.265625 6.62
993 119.049324035645 3398717.25 100
994 123.77320098877 3188.40380859375 0.09
995 130.050064086914 63000.25 1.85
996 130.086273193359 109294.3984375 3.22
997 147.043960571289 952724 28.03
998 147.112701416016 13311.6767578125 0.39
999 160.07568359375 11708.4287109375 0.34
1000
1001 RECORD_TITLE: MZ:147.0439 | RT:70.5 | grpid:63 | file:1
1002 MS$FOCUSED_ION: PRECURSOR_M/Z 147.043853759766
1003 AC$CHROMATOGRAPHY: RETENTION_TIME 70.461672
1004 XCMS groupid (grpid): 63
1005 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
1006 PK$NUM_PEAK: 13
1007 PK$PEAK: m/z int. rel.int.
1008 101.071273803711 4550.1181640625 0.14
1009 103.048835754395 5009.00244140625 0.15
1010 103.054618835449 202457.375 6.18
1011 119.049331665039 3278027.5 100
1012 120.011581420898 2644.65014648438 0.08
1013 129.069915771484 3654.64453125 0.11
1014 130.049911499023 61348.62109375 1.87
1015 130.086227416992 94937.890625 2.9
1016 131.550384521484 3396.27563476562 0.1
1017 136.545654296875 2581.0390625 0.08
1018 147.043960571289 978799.1875 29.86
1019 147.112838745117 14170.591796875 0.43
1020 160.075088500977 3768.91259765625 0.11
1021
1022 RECORD_TITLE: MZ:147.0439 | RT:70.5 | grpid:63 | file:1
1023 MS$FOCUSED_ION: PRECURSOR_M/Z 147.043853759766
1024 AC$CHROMATOGRAPHY: RETENTION_TIME 70.461672
1025 XCMS groupid (grpid): 63
1026 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
1027 PK$NUM_PEAK: 13
1028 PK$PEAK: m/z int. rel.int.
1029 101.071273803711 4550.1181640625 0.14
1030 103.048835754395 5009.00244140625 0.15
1031 103.054618835449 202457.375 6.18
1032 119.049331665039 3278027.5 100
1033 120.011581420898 2644.65014648438 0.08
1034 129.069915771484 3654.64453125 0.11
1035 130.049911499023 61348.62109375 1.87
1036 130.086227416992 94937.890625 2.9
1037 131.550384521484 3396.27563476562 0.1
1038 136.545654296875 2581.0390625 0.08
1039 147.043960571289 978799.1875 29.86
1040 147.112838745117 14170.591796875 0.43
1041 160.075088500977 3768.91259765625 0.11
1042
1043 RECORD_TITLE: MZ:147.0438 | RT:70.6 | grpid:63 | file:2
1044 MS$FOCUSED_ION: PRECURSOR_M/Z 147.043838500977
1045 AC$CHROMATOGRAPHY: RETENTION_TIME 70.627524
1046 XCMS groupid (grpid): 63
1047 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
1048 PK$NUM_PEAK: 15
1049 PK$PEAK: m/z int. rel.int.
1050 101.071350097656 3549.74267578125 0.12
1051 103.054641723633 188622.484375 6.21
1052 112.236755371094 2519.7568359375 0.08
1053 119.049362182617 3037621.25 100
1054 120.011337280273 3365.046875 0.11
1055 124.979553222656 2343.61987304688 0.08
1056 129.070343017578 3855.43994140625 0.13
1057 129.10237121582 3090.92822265625 0.1
1058 130.050094604492 73624.921875 2.42
1059 130.086318969727 80890.1640625 2.66
1060 147.044006347656 834451.0625 27.47
1061 147.079299926758 12881.609375 0.42
1062 147.112747192383 5908.45263671875 0.19
1063 152.669158935547 2885.892578125 0.1
1064 160.076049804688 3953.13061523438 0.13
1065
1066 RECORD_TITLE: MZ:147.0438 | RT:70.6 | grpid:63 | file:2
1067 MS$FOCUSED_ION: PRECURSOR_M/Z 147.043838500977
1068 AC$CHROMATOGRAPHY: RETENTION_TIME 70.627524
1069 XCMS groupid (grpid): 63
1070 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
1071 PK$NUM_PEAK: 15
1072 PK$PEAK: m/z int. rel.int.
1073 101.071350097656 3549.74267578125 0.12
1074 103.054641723633 188622.484375 6.21
1075 112.236755371094 2519.7568359375 0.08
1076 119.049362182617 3037621.25 100
1077 120.011337280273 3365.046875 0.11
1078 124.979553222656 2343.61987304688 0.08
1079 129.070343017578 3855.43994140625 0.13
1080 129.10237121582 3090.92822265625 0.1
1081 130.050094604492 73624.921875 2.42
1082 130.086318969727 80890.1640625 2.66
1083 147.044006347656 834451.0625 27.47
1084 147.079299926758 12881.609375 0.42
1085 147.112747192383 5908.45263671875 0.19
1086 152.669158935547 2885.892578125 0.1
1087 160.076049804688 3953.13061523438 0.13
1088
1089 RECORD_TITLE: MZ:147.0438 | RT:70.6 | grpid:63 | file:2
1090 MS$FOCUSED_ION: PRECURSOR_M/Z 147.043838500977
1091 AC$CHROMATOGRAPHY: RETENTION_TIME 70.627524
1092 XCMS groupid (grpid): 63
1093 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
1094 PK$NUM_PEAK: 13
1095 PK$PEAK: m/z int. rel.int.
1096 101.07152557373 2745.65698242188 0.08
1097 102.055274963379 3918.08203125 0.12
1098 103.054626464844 219682.390625 6.53
1099 119.049339294434 3361922.25 100
1100 126.545722961426 2381.10522460938 0.07
1101 129.070129394531 2753.92504882812 0.08
1102 130.049987792969 71854.2265625 2.14
1103 130.076995849609 5364.62841796875 0.16
1104 130.08625793457 95765.5234375 2.85
1105 147.043991088867 928020.625 27.6
1106 147.080383300781 14796.041015625 0.44
1107 147.1123046875 5472.1298828125 0.16
1108 160.076309204102 3128.19555664062 0.09
1109
1110 RECORD_TITLE: MZ:147.0438 | RT:70.6 | grpid:63 | file:2
1111 MS$FOCUSED_ION: PRECURSOR_M/Z 147.043838500977
1112 AC$CHROMATOGRAPHY: RETENTION_TIME 70.627524
1113 XCMS groupid (grpid): 63
1114 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
1115 PK$NUM_PEAK: 13
1116 PK$PEAK: m/z int. rel.int.
1117 101.07152557373 2745.65698242188 0.08
1118 102.055274963379 3918.08203125 0.12
1119 103.054626464844 219682.390625 6.53
1120 119.049339294434 3361922.25 100
1121 126.545722961426 2381.10522460938 0.07
1122 129.070129394531 2753.92504882812 0.08
1123 130.049987792969 71854.2265625 2.14
1124 130.076995849609 5364.62841796875 0.16
1125 130.08625793457 95765.5234375 2.85
1126 147.043991088867 928020.625 27.6
1127 147.080383300781 14796.041015625 0.44
1128 147.1123046875 5472.1298828125 0.16
1129 160.076309204102 3128.19555664062 0.09
1130
1131 RECORD_TITLE: MZ:148.0426 | RT:64.4 | grpid:66 | file:1
1132 MS$FOCUSED_ION: PRECURSOR_M/Z 148.042587280273
1133 AC$CHROMATOGRAPHY: RETENTION_TIME 64.427298
1134 XCMS groupid (grpid): 66
1135 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
1136 PK$NUM_PEAK: 15
1137 PK$PEAK: m/z int. rel.int.
1138 102.001251220703 418360.65625 27.27
1139 102.037628173828 26940.125 1.76
1140 102.055305480957 31787.623046875 2.07
1141 102.902954101562 2297.19018554688 0.15
1142 103.082748413086 2655.95483398438 0.17
1143 120.011619567871 1534089.125 100
1144 122.01634979248 2559.43994140625 0.17
1145 130.050140380859 17183.017578125 1.12
1146 130.085998535156 4824.86083984375 0.31
1147 131.052658081055 3329.10791015625 0.22
1148 131.089935302734 3828.04296875 0.25
1149 133.019241333008 31002.017578125 2.02
1150 134.02668762207 3603.13940429688 0.23
1151 148.042633056641 1333085.75 86.9
1152 160.701766967773 2493.13793945312 0.16
1153
1154 RECORD_TITLE: MZ:148.0426 | RT:64.4 | grpid:66 | file:1
1155 MS$FOCUSED_ION: PRECURSOR_M/Z 148.042587280273
1156 AC$CHROMATOGRAPHY: RETENTION_TIME 64.427298
1157 XCMS groupid (grpid): 66
1158 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
1159 PK$NUM_PEAK: 15
1160 PK$PEAK: m/z int. rel.int.
1161 102.001251220703 418360.65625 27.27
1162 102.037628173828 26940.125 1.76
1163 102.055305480957 31787.623046875 2.07
1164 102.902954101562 2297.19018554688 0.15
1165 103.082748413086 2655.95483398438 0.17
1166 120.011619567871 1534089.125 100
1167 122.01634979248 2559.43994140625 0.17
1168 130.050140380859 17183.017578125 1.12
1169 130.085998535156 4824.86083984375 0.31
1170 131.052658081055 3329.10791015625 0.22
1171 131.089935302734 3828.04296875 0.25
1172 133.019241333008 31002.017578125 2.02
1173 134.02668762207 3603.13940429688 0.23
1174 148.042633056641 1333085.75 86.9
1175 160.701766967773 2493.13793945312 0.16
1176
1177 RECORD_TITLE: MZ:148.0426 | RT:64.6 | grpid:66 | file:2
1178 MS$FOCUSED_ION: PRECURSOR_M/Z 148.042556762695
1179 AC$CHROMATOGRAPHY: RETENTION_TIME 64.605414
1180 XCMS groupid (grpid): 66
1181 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
1182 PK$NUM_PEAK: 12
1183 PK$PEAK: m/z int. rel.int.
1184 102.00122833252 571447.9375 28.8
1185 102.037757873535 37633.34765625 1.9
1186 102.055305480957 19940.044921875 1.01
1187 120.011611938477 1984001.875 100
1188 130.050033569336 15060.462890625 0.76
1189 130.086196899414 5560.50439453125 0.28
1190 131.053466796875 4939.97802734375 0.25
1191 131.089218139648 4804.13818359375 0.24
1192 133.019287109375 34545.609375 1.74
1193 134.027465820312 5199.03125 0.26
1194 148.042617797852 1724357.375 86.91
1195 157.48600769043 2885.98486328125 0.15
1196
1197 RECORD_TITLE: MZ:148.0426 | RT:64.6 | grpid:66 | file:2
1198 MS$FOCUSED_ION: PRECURSOR_M/Z 148.042556762695
1199 AC$CHROMATOGRAPHY: RETENTION_TIME 64.605414
1200 XCMS groupid (grpid): 66
1201 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
1202 PK$NUM_PEAK: 12
1203 PK$PEAK: m/z int. rel.int.
1204 102.00122833252 571447.9375 28.8
1205 102.037757873535 37633.34765625 1.9
1206 102.055305480957 19940.044921875 1.01
1207 120.011611938477 1984001.875 100
1208 130.050033569336 15060.462890625 0.76
1209 130.086196899414 5560.50439453125 0.28
1210 131.053466796875 4939.97802734375 0.25
1211 131.089218139648 4804.13818359375 0.24
1212 133.019287109375 34545.609375 1.74
1213 134.027465820312 5199.03125 0.26
1214 148.042617797852 1724357.375 86.91
1215 157.48600769043 2885.98486328125 0.15
1216
1217 RECORD_TITLE: MZ:149.0263 | RT:91.2 | grpid:67 | file:1
1218 MS$FOCUSED_ION: PRECURSOR_M/Z 149.026306152344
1219 AC$CHROMATOGRAPHY: RETENTION_TIME 91.18956
1220 XCMS groupid (grpid): 67
1221 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
1222 PK$NUM_PEAK: 22
1223 PK$PEAK: m/z int. rel.int.
1224 104.016586303711 38437.609375 1.57
1225 109.031661987305 21351.47265625 0.87
1226 111.011131286621 2452703.75 100
1227 112.343109130859 2894.3193359375 0.12
1228 113.015518188477 4849.234375 0.2
1229 115.005714416504 3792.97241210938 0.15
1230 116.98600769043 54908.22265625 2.24
1231 120.011344909668 270582.1875 11.03
1232 121.015243530273 3457.28002929688 0.14
1233 121.028663635254 77434.7109375 3.16
1234 121.038375854492 5408.986328125 0.22
1235 125.026588439941 18016.30859375 0.73
1236 129.021530151367 75003.7578125 3.06
1237 131.049423217773 11337.5048828125 0.46
1238 132.047546386719 5366.337890625 0.22
1239 134.02685546875 160140.59375 6.53
1240 134.996459960938 50629.9765625 2.06
1241 140.00178527832 6121.4052734375 0.25
1242 149.026306152344 1669850.25 68.08
1243 152.037475585938 25918.962890625 1.06
1244 153.007186889648 12562.2216796875 0.51
1245 158.012786865234 17251.59375 0.7
1246
1247 RECORD_TITLE: MZ:149.0263 | RT:91.2 | grpid:67 | file:1
1248 MS$FOCUSED_ION: PRECURSOR_M/Z 149.026306152344
1249 AC$CHROMATOGRAPHY: RETENTION_TIME 91.18956
1250 XCMS groupid (grpid): 67
1251 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
1252 PK$NUM_PEAK: 22
1253 PK$PEAK: m/z int. rel.int.
1254 104.016586303711 38437.609375 1.57
1255 109.031661987305 21351.47265625 0.87
1256 111.011131286621 2452703.75 100
1257 112.343109130859 2894.3193359375 0.12
1258 113.015518188477 4849.234375 0.2
1259 115.005714416504 3792.97241210938 0.15
1260 116.98600769043 54908.22265625 2.24
1261 120.011344909668 270582.1875 11.03
1262 121.015243530273 3457.28002929688 0.14
1263 121.028663635254 77434.7109375 3.16
1264 121.038375854492 5408.986328125 0.22
1265 125.026588439941 18016.30859375 0.73
1266 129.021530151367 75003.7578125 3.06
1267 131.049423217773 11337.5048828125 0.46
1268 132.047546386719 5366.337890625 0.22
1269 134.02685546875 160140.59375 6.53
1270 134.996459960938 50629.9765625 2.06
1271 140.00178527832 6121.4052734375 0.25
1272 149.026306152344 1669850.25 68.08
1273 152.037475585938 25918.962890625 1.06
1274 153.007186889648 12562.2216796875 0.51
1275 158.012786865234 17251.59375 0.7
1276
1277 RECORD_TITLE: MZ:149.0263 | RT:91.4 | grpid:67 | file:2
1278 MS$FOCUSED_ION: PRECURSOR_M/Z 149.026321411133
1279 AC$CHROMATOGRAPHY: RETENTION_TIME 91.376562
1280 XCMS groupid (grpid): 67
1281 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
1282 PK$NUM_PEAK: 22
1283 PK$PEAK: m/z int. rel.int.
1284 104.0166015625 32986.94921875 1.39
1285 109.032051086426 26353.259765625 1.11
1286 110.097152709961 2624.76928710938 0.11
1287 111.011177062988 2377988.25 100
1288 113.015480041504 5828.708984375 0.25
1289 116.986236572266 54954.22265625 2.31
1290 120.01139831543 238866.125 10.04
1291 121.015419006348 4123.71875 0.17
1292 121.028648376465 78656.65625 3.31
1293 121.03840637207 5238.35595703125 0.22
1294 121.065780639648 3160.08813476562 0.13
1295 125.026496887207 18683.44921875 0.79
1296 129.021499633789 78875.828125 3.32
1297 131.049285888672 3986.47094726562 0.17
1298 134.026901245117 148034.796875 6.23
1299 134.996490478516 57903.265625 2.43
1300 136.622482299805 2669.64990234375 0.11
1301 140.001846313477 5695.8232421875 0.24
1302 149.026336669922 1653409.625 69.53
1303 152.037338256836 21732.1015625 0.91
1304 153.007202148438 10810.724609375 0.45
1305 158.012619018555 19154.71875 0.81
1306
1307 RECORD_TITLE: MZ:149.0263 | RT:91.4 | grpid:67 | file:2
1308 MS$FOCUSED_ION: PRECURSOR_M/Z 149.026321411133
1309 AC$CHROMATOGRAPHY: RETENTION_TIME 91.376562
1310 XCMS groupid (grpid): 67
1311 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
1312 PK$NUM_PEAK: 22
1313 PK$PEAK: m/z int. rel.int.
1314 104.0166015625 32986.94921875 1.39
1315 109.032051086426 26353.259765625 1.11
1316 110.097152709961 2624.76928710938 0.11
1317 111.011177062988 2377988.25 100
1318 113.015480041504 5828.708984375 0.25
1319 116.986236572266 54954.22265625 2.31
1320 120.01139831543 238866.125 10.04
1321 121.015419006348 4123.71875 0.17
1322 121.028648376465 78656.65625 3.31
1323 121.03840637207 5238.35595703125 0.22
1324 121.065780639648 3160.08813476562 0.13
1325 125.026496887207 18683.44921875 0.79
1326 129.021499633789 78875.828125 3.32
1327 131.049285888672 3986.47094726562 0.17
1328 134.026901245117 148034.796875 6.23
1329 134.996490478516 57903.265625 2.43
1330 136.622482299805 2669.64990234375 0.11
1331 140.001846313477 5695.8232421875 0.24
1332 149.026336669922 1653409.625 69.53
1333 152.037338256836 21732.1015625 0.91
1334 153.007202148438 10810.724609375 0.45
1335 158.012619018555 19154.71875 0.81
1336
1337 RECORD_TITLE: MZ:150.0582 | RT:62.9 | grpid:68 | file:1
1338 MS$FOCUSED_ION: PRECURSOR_M/Z 150.058166503906
1339 AC$CHROMATOGRAPHY: RETENTION_TIME 62.924034
1340 XCMS groupid (grpid): 68
1341 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
1342 PK$NUM_PEAK: 9
1343 PK$PEAK: m/z int. rel.int.
1344 101.579109191895 20766.212890625 0.15
1345 102.055404663086 4154222.25 29.71
1346 104.053276062012 13982832 100
1347 105.000991821289 131116.5625 0.94
1348 105.037223815918 266003.90625 1.9
1349 133.031875610352 9440187 67.51
1350 150.038681030273 92384.0703125 0.66
1351 150.058349609375 1694299.125 12.12
1352 155.097625732422 22783.2734375 0.16
1353
1354 RECORD_TITLE: MZ:150.0582 | RT:62.9 | grpid:68 | file:1
1355 MS$FOCUSED_ION: PRECURSOR_M/Z 150.058166503906
1356 AC$CHROMATOGRAPHY: RETENTION_TIME 62.924034
1357 XCMS groupid (grpid): 68
1358 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
1359 PK$NUM_PEAK: 9
1360 PK$PEAK: m/z int. rel.int.
1361 101.579109191895 20766.212890625 0.15
1362 102.055404663086 4154222.25 29.71
1363 104.053276062012 13982832 100
1364 105.000991821289 131116.5625 0.94
1365 105.037223815918 266003.90625 1.9
1366 133.031875610352 9440187 67.51
1367 150.038681030273 92384.0703125 0.66
1368 150.058349609375 1694299.125 12.12
1369 155.097625732422 22783.2734375 0.16
1370
1371 RECORD_TITLE: MZ:150.0581 | RT:62.9 | grpid:68 | file:1
1372 MS$FOCUSED_ION: PRECURSOR_M/Z 150.058135986328
1373 AC$CHROMATOGRAPHY: RETENTION_TIME 62.924034
1374 XCMS groupid (grpid): 68
1375 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
1376 PK$NUM_PEAK: 13
1377 PK$PEAK: m/z int. rel.int.
1378 102.055458068848 51413.23828125 32.64
1379 103.99649810791 3555.7119140625 2.26
1380 104.053283691406 157500.5625 100
1381 122.007637023926 16069.3701171875 10.2
1382 122.059936523438 4208.95556640625 2.67
1383 133.031829833984 106562.1796875 67.66
1384 143.242492675781 2529.74877929688 1.61
1385 150.026901245117 18927.78125 12.02
1386 150.038192749023 13696.380859375 8.7
1387 150.057998657227 17616.544921875 11.19
1388 150.09162902832 3476.15454101562 2.21
1389 150.112930297852 3834.1953125 2.43
1390 150.127395629883 4024.62670898438 2.56
1391
1392 RECORD_TITLE: MZ:150.0581 | RT:62.9 | grpid:68 | file:1
1393 MS$FOCUSED_ION: PRECURSOR_M/Z 150.058135986328
1394 AC$CHROMATOGRAPHY: RETENTION_TIME 62.924034
1395 XCMS groupid (grpid): 68
1396 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
1397 PK$NUM_PEAK: 13
1398 PK$PEAK: m/z int. rel.int.
1399 102.055458068848 51413.23828125 32.64
1400 103.99649810791 3555.7119140625 2.26
1401 104.053283691406 157500.5625 100
1402 122.007637023926 16069.3701171875 10.2
1403 122.059936523438 4208.95556640625 2.67
1404 133.031829833984 106562.1796875 67.66
1405 143.242492675781 2529.74877929688 1.61
1406 150.026901245117 18927.78125 12.02
1407 150.038192749023 13696.380859375 8.7
1408 150.057998657227 17616.544921875 11.19
1409 150.09162902832 3476.15454101562 2.21
1410 150.112930297852 3834.1953125 2.43
1411 150.127395629883 4024.62670898438 2.56
1412
1413 RECORD_TITLE: MZ:150.0581 | RT:63.1 | grpid:68 | file:2
1414 MS$FOCUSED_ION: PRECURSOR_M/Z 150.058135986328
1415 AC$CHROMATOGRAPHY: RETENTION_TIME 63.078168
1416 XCMS groupid (grpid): 68
1417 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
1418 PK$NUM_PEAK: 7
1419 PK$PEAK: m/z int. rel.int.
1420 102.055381774902 4631614.5 28.68
1421 104.053237915039 16147574 100
1422 105.000915527344 196574.15625 1.22
1423 105.03719329834 273244.0625 1.69
1424 133.031829833984 10814390 66.97
1425 137.41633605957 30549.828125 0.19
1426 150.058288574219 1973325.5 12.22
1427
1428 RECORD_TITLE: MZ:150.0581 | RT:63.1 | grpid:68 | file:2
1429 MS$FOCUSED_ION: PRECURSOR_M/Z 150.058135986328
1430 AC$CHROMATOGRAPHY: RETENTION_TIME 63.078168
1431 XCMS groupid (grpid): 68
1432 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
1433 PK$NUM_PEAK: 7
1434 PK$PEAK: m/z int. rel.int.
1435 102.055381774902 4631614.5 28.68
1436 104.053237915039 16147574 100
1437 105.000915527344 196574.15625 1.22
1438 105.03719329834 273244.0625 1.69
1439 133.031829833984 10814390 66.97
1440 137.41633605957 30549.828125 0.19
1441 150.058288574219 1973325.5 12.22
1442
1443 RECORD_TITLE: MZ:150.0581 | RT:63.1 | grpid:68 | file:2
1444 MS$FOCUSED_ION: PRECURSOR_M/Z 150.05810546875
1445 AC$CHROMATOGRAPHY: RETENTION_TIME 63.078168
1446 XCMS groupid (grpid): 68
1447 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
1448 PK$NUM_PEAK: 15
1449 PK$PEAK: m/z int. rel.int.
1450 102.055404663086 43694.5078125 32.97
1451 103.997314453125 2148.16162109375 1.62
1452 104.05322265625 132526.8125 100
1453 106.336433410645 2694.6591796875 2.03
1454 115.794555664062 2042.23522949219 1.54
1455 117.98902130127 2109.99584960938 1.59
1456 122.007164001465 12221.623046875 9.22
1457 124.446136474609 1894.35131835938 1.43
1458 133.031921386719 76296.8203125 57.57
1459 150.027542114258 16453.501953125 12.42
1460 150.038208007812 13264.7509765625 10.01
1461 150.057830810547 14816.9990234375 11.18
1462 150.090744018555 4340.6669921875 3.28
1463 150.112060546875 5071.3125 3.83
1464 150.128646850586 2830.20849609375 2.14
1465
1466 RECORD_TITLE: MZ:150.0581 | RT:63.1 | grpid:68 | file:2
1467 MS$FOCUSED_ION: PRECURSOR_M/Z 150.05810546875
1468 AC$CHROMATOGRAPHY: RETENTION_TIME 63.078168
1469 XCMS groupid (grpid): 68
1470 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
1471 PK$NUM_PEAK: 15
1472 PK$PEAK: m/z int. rel.int.
1473 102.055404663086 43694.5078125 32.97
1474 103.997314453125 2148.16162109375 1.62
1475 104.05322265625 132526.8125 100
1476 106.336433410645 2694.6591796875 2.03
1477 115.794555664062 2042.23522949219 1.54
1478 117.98902130127 2109.99584960938 1.59
1479 122.007164001465 12221.623046875 9.22
1480 124.446136474609 1894.35131835938 1.43
1481 133.031921386719 76296.8203125 57.57
1482 150.027542114258 16453.501953125 12.42
1483 150.038208007812 13264.7509765625 10.01
1484 150.057830810547 14816.9990234375 11.18
1485 150.090744018555 4340.6669921875 3.28
1486 150.112060546875 5071.3125 3.83
1487 150.128646850586 2830.20849609375 2.14
1488
1489 RECORD_TITLE: MZ:153.0405 | RT:84.2 | grpid:72 | file:1
1490 MS$FOCUSED_ION: PRECURSOR_M/Z 153.040512084961
1491 AC$CHROMATOGRAPHY: RETENTION_TIME 84.215802
1492 XCMS groupid (grpid): 72
1493 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
1494 PK$NUM_PEAK: 10
1495 PK$PEAK: m/z int. rel.int.
1496 108.01936340332 17292.517578125 0.21
1497 110.035232543945 2303313 28.45
1498 121.812217712402 11519.919921875 0.14
1499 128.04557800293 428744.46875 5.29
1500 135.030151367188 79630.6875 0.98
1501 135.805206298828 11823.5634765625 0.15
1502 136.01416015625 3711513 45.84
1503 153.040679931641 8097173.5 100
1504 154.024642944336 3409293.75 42.1
1505 168.04069519043 26535.353515625 0.33
1506
1507 RECORD_TITLE: MZ:153.0405 | RT:84.2 | grpid:72 | file:1
1508 MS$FOCUSED_ION: PRECURSOR_M/Z 153.040512084961
1509 AC$CHROMATOGRAPHY: RETENTION_TIME 84.215802
1510 XCMS groupid (grpid): 72
1511 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
1512 PK$NUM_PEAK: 10
1513 PK$PEAK: m/z int. rel.int.
1514 108.01936340332 17292.517578125 0.21
1515 110.035232543945 2303313 28.45
1516 121.812217712402 11519.919921875 0.14
1517 128.04557800293 428744.46875 5.29
1518 135.030151367188 79630.6875 0.98
1519 135.805206298828 11823.5634765625 0.15
1520 136.01416015625 3711513 45.84
1521 153.040679931641 8097173.5 100
1522 154.024642944336 3409293.75 42.1
1523 168.04069519043 26535.353515625 0.33
1524
1525 RECORD_TITLE: MZ:153.0403 | RT:84.2 | grpid:72 | file:1
1526 MS$FOCUSED_ION: PRECURSOR_M/Z 153.040344238281
1527 AC$CHROMATOGRAPHY: RETENTION_TIME 84.215802
1528 XCMS groupid (grpid): 72
1529 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
1530 PK$NUM_PEAK: 27
1531 PK$PEAK: m/z int. rel.int.
1532 100.120269775391 2219.037109375 0.27
1533 107.085754394531 12394.3017578125 1.52
1534 108.443885803223 2329.408203125 0.29
1535 109.10099029541 3362.6435546875 0.41
1536 110.035278320312 214885.25 26.29
1537 111.044418334961 11947.40625 1.46
1538 111.080368041992 2874.97290039062 0.35
1539 113.00806427002 19917.9453125 2.44
1540 114.882606506348 2383.2900390625 0.29
1541 115.012451171875 20400.2109375 2.5
1542 116.986083984375 5402.39453125 0.66
1543 125.071716308594 3712.6376953125 0.45
1544 128.045806884766 42805.9140625 5.24
1545 134.996383666992 5005.0556640625 0.61
1546 135.030487060547 3801.03735351562 0.47
1547 135.080642700195 3373.82641601562 0.41
1548 135.117233276367 3593.927734375 0.44
1549 136.014221191406 296738.09375 36.31
1550 137.058334350586 2331.7724609375 0.29
1551 140.413299560547 2165.29467773438 0.26
1552 146.555084228516 2194.45166015625 0.27
1553 148.740234375 2312.7158203125 0.28
1554 153.040740966797 817318.25 100
1555 153.090744018555 15144.04296875 1.85
1556 153.127243041992 12641.9697265625 1.55
1557 154.02473449707 408579.875 49.99
1558 158.011642456055 3504.88745117188 0.43
1559
1560 RECORD_TITLE: MZ:153.0403 | RT:84.2 | grpid:72 | file:1
1561 MS$FOCUSED_ION: PRECURSOR_M/Z 153.040344238281
1562 AC$CHROMATOGRAPHY: RETENTION_TIME 84.215802
1563 XCMS groupid (grpid): 72
1564 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
1565 PK$NUM_PEAK: 27
1566 PK$PEAK: m/z int. rel.int.
1567 100.120269775391 2219.037109375 0.27
1568 107.085754394531 12394.3017578125 1.52
1569 108.443885803223 2329.408203125 0.29
1570 109.10099029541 3362.6435546875 0.41
1571 110.035278320312 214885.25 26.29
1572 111.044418334961 11947.40625 1.46
1573 111.080368041992 2874.97290039062 0.35
1574 113.00806427002 19917.9453125 2.44
1575 114.882606506348 2383.2900390625 0.29
1576 115.012451171875 20400.2109375 2.5
1577 116.986083984375 5402.39453125 0.66
1578 125.071716308594 3712.6376953125 0.45
1579 128.045806884766 42805.9140625 5.24
1580 134.996383666992 5005.0556640625 0.61
1581 135.030487060547 3801.03735351562 0.47
1582 135.080642700195 3373.82641601562 0.41
1583 135.117233276367 3593.927734375 0.44
1584 136.014221191406 296738.09375 36.31
1585 137.058334350586 2331.7724609375 0.29
1586 140.413299560547 2165.29467773438 0.26
1587 146.555084228516 2194.45166015625 0.27
1588 148.740234375 2312.7158203125 0.28
1589 153.040740966797 817318.25 100
1590 153.090744018555 15144.04296875 1.85
1591 153.127243041992 12641.9697265625 1.55
1592 154.02473449707 408579.875 49.99
1593 158.011642456055 3504.88745117188 0.43
1594
1595 RECORD_TITLE: MZ:153.0405 | RT:84.4 | grpid:72 | file:2
1596 MS$FOCUSED_ION: PRECURSOR_M/Z 153.040512084961
1597 AC$CHROMATOGRAPHY: RETENTION_TIME 84.41529
1598 XCMS groupid (grpid): 72
1599 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
1600 PK$NUM_PEAK: 11
1601 PK$PEAK: m/z int. rel.int.
1602 108.019828796387 20524.515625 0.24
1603 110.035209655762 2289391.25 27.32
1604 112.017875671387 11479.5869140625 0.14
1605 122.45817565918 9276.744140625 0.11
1606 128.04557800293 406314.03125 4.85
1607 135.030151367188 62872.70703125 0.75
1608 136.014144897461 3604566 43.01
1609 153.040664672852 8379958 100
1610 154.024627685547 3294023.75 39.31
1611 168.039398193359 17989.896484375 0.21
1612 168.052719116211 10959.2880859375 0.13
1613
1614 RECORD_TITLE: MZ:153.0405 | RT:84.4 | grpid:72 | file:2
1615 MS$FOCUSED_ION: PRECURSOR_M/Z 153.040512084961
1616 AC$CHROMATOGRAPHY: RETENTION_TIME 84.41529
1617 XCMS groupid (grpid): 72
1618 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
1619 PK$NUM_PEAK: 11
1620 PK$PEAK: m/z int. rel.int.
1621 108.019828796387 20524.515625 0.24
1622 110.035209655762 2289391.25 27.32
1623 112.017875671387 11479.5869140625 0.14
1624 122.45817565918 9276.744140625 0.11
1625 128.04557800293 406314.03125 4.85
1626 135.030151367188 62872.70703125 0.75
1627 136.014144897461 3604566 43.01
1628 153.040664672852 8379958 100
1629 154.024627685547 3294023.75 39.31
1630 168.039398193359 17989.896484375 0.21
1631 168.052719116211 10959.2880859375 0.13
1632
1633 RECORD_TITLE: MZ:153.0404 | RT:84.4 | grpid:72 | file:2
1634 MS$FOCUSED_ION: PRECURSOR_M/Z 153.04035949707
1635 AC$CHROMATOGRAPHY: RETENTION_TIME 84.41529
1636 XCMS groupid (grpid): 72
1637 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
1638 PK$NUM_PEAK: 20
1639 PK$PEAK: m/z int. rel.int.
1640 107.049018859863 2999.64233398438 0.2
1641 107.085746765137 4260.4228515625 0.29
1642 108.01944732666 4910.62548828125 0.34
1643 109.430320739746 2957.02856445312 0.2
1644 110.035255432129 374273.03125 25.53
1645 113.007835388184 20101.728515625 1.37
1646 113.014839172363 4319.23388671875 0.29
1647 115.012069702148 23304.08984375 1.59
1648 116.986114501953 4830.94970703125 0.33
1649 125.06031036377 3577.85107421875 0.24
1650 128.045501708984 72506.0546875 4.95
1651 134.996337890625 6738.5830078125 0.46
1652 135.030303955078 5151.421875 0.35
1653 136.014190673828 548141.125 37.4
1654 152.786178588867 3086.82641601562 0.21
1655 153.040725708008 1465771 100
1656 153.090713500977 17066.05078125 1.16
1657 153.127578735352 17128.626953125 1.17
1658 154.024673461914 665563 45.41
1659 165.999542236328 3401.4443359375 0.23
1660
1661 RECORD_TITLE: MZ:153.0404 | RT:84.4 | grpid:72 | file:2
1662 MS$FOCUSED_ION: PRECURSOR_M/Z 153.04035949707
1663 AC$CHROMATOGRAPHY: RETENTION_TIME 84.41529
1664 XCMS groupid (grpid): 72
1665 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
1666 PK$NUM_PEAK: 20
1667 PK$PEAK: m/z int. rel.int.
1668 107.049018859863 2999.64233398438 0.2
1669 107.085746765137 4260.4228515625 0.29
1670 108.01944732666 4910.62548828125 0.34
1671 109.430320739746 2957.02856445312 0.2
1672 110.035255432129 374273.03125 25.53
1673 113.007835388184 20101.728515625 1.37
1674 113.014839172363 4319.23388671875 0.29
1675 115.012069702148 23304.08984375 1.59
1676 116.986114501953 4830.94970703125 0.33
1677 125.06031036377 3577.85107421875 0.24
1678 128.045501708984 72506.0546875 4.95
1679 134.996337890625 6738.5830078125 0.46
1680 135.030303955078 5151.421875 0.35
1681 136.014190673828 548141.125 37.4
1682 152.786178588867 3086.82641601562 0.21
1683 153.040725708008 1465771 100
1684 153.090713500977 17066.05078125 1.16
1685 153.127578735352 17128.626953125 1.17
1686 154.024673461914 665563 45.41
1687 165.999542236328 3401.4443359375 0.23
1688
1689 RECORD_TITLE: MZ:153.0406 | RT:84.4 | grpid:72 | file:2
1690 MS$FOCUSED_ION: PRECURSOR_M/Z 153.040557861328
1691 AC$CHROMATOGRAPHY: RETENTION_TIME 84.41529
1692 XCMS groupid (grpid): 72
1693 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
1694 PK$NUM_PEAK: 21
1695 PK$PEAK: m/z int. rel.int.
1696 107.085655212402 9505.548828125 0.42
1697 108.019424438477 4591.0361328125 0.2
1698 109.101692199707 3338.82177734375 0.15
1699 110.035224914551 821798 36.3
1700 111.044441223145 10343.86328125 0.46
1701 111.08065032959 2604.8134765625 0.12
1702 116.986167907715 12888.4609375 0.57
1703 125.060432434082 4316.95849609375 0.19
1704 125.096267700195 3239.39892578125 0.14
1705 128.045593261719 186179.359375 8.22
1706 134.99641418457 15461.853515625 0.68
1707 135.029998779297 10761.2744140625 0.48
1708 135.080139160156 5717.2587890625 0.25
1709 135.116653442383 4035.61694335938 0.18
1710 136.01416015625 410688.09375 18.14
1711 140.001937866211 2646.69165039062 0.12
1712 143.464538574219 2587.640625 0.11
1713 152.571792602539 2826.95971679688 0.12
1714 153.04069519043 2264089.75 100
1715 153.127258300781 6322.94384765625 0.28
1716 154.024642944336 1115687.625 49.28
1717
1718 RECORD_TITLE: MZ:153.0406 | RT:84.4 | grpid:72 | file:2
1719 MS$FOCUSED_ION: PRECURSOR_M/Z 153.040557861328
1720 AC$CHROMATOGRAPHY: RETENTION_TIME 84.41529
1721 XCMS groupid (grpid): 72
1722 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
1723 PK$NUM_PEAK: 21
1724 PK$PEAK: m/z int. rel.int.
1725 107.085655212402 9505.548828125 0.42
1726 108.019424438477 4591.0361328125 0.2
1727 109.101692199707 3338.82177734375 0.15
1728 110.035224914551 821798 36.3
1729 111.044441223145 10343.86328125 0.46
1730 111.08065032959 2604.8134765625 0.12
1731 116.986167907715 12888.4609375 0.57
1732 125.060432434082 4316.95849609375 0.19
1733 125.096267700195 3239.39892578125 0.14
1734 128.045593261719 186179.359375 8.22
1735 134.99641418457 15461.853515625 0.68
1736 135.029998779297 10761.2744140625 0.48
1737 135.080139160156 5717.2587890625 0.25
1738 135.116653442383 4035.61694335938 0.18
1739 136.01416015625 410688.09375 18.14
1740 140.001937866211 2646.69165039062 0.12
1741 143.464538574219 2587.640625 0.11
1742 152.571792602539 2826.95971679688 0.12
1743 153.04069519043 2264089.75 100
1744 153.127258300781 6322.94384765625 0.28
1745 154.024642944336 1115687.625 49.28
1746
1747 RECORD_TITLE: MZ:156.0767 | RT:47.7 | grpid:75 | file:1
1748 MS$FOCUSED_ION: PRECURSOR_M/Z 156.076675415039
1749 AC$CHROMATOGRAPHY: RETENTION_TIME 47.662548
1750 XCMS groupid (grpid): 75
1751 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
1752 PK$NUM_PEAK: 11
1753 PK$PEAK: m/z int. rel.int.
1754 110.07160949707 359536.25 22.82
1755 111.068382263184 255573.8125 16.22
1756 111.074981689453 1575368.5 100
1757 112.058601379395 5586.78466796875 0.35
1758 112.087120056152 11232.6259765625 0.71
1759 124.93775177002 5698.17578125 0.36
1760 130.062942504883 3413.16528320312 0.22
1761 131.066284179688 24558.26171875 1.56
1762 139.111953735352 3450.27368164062 0.22
1763 157.045669555664 163497.828125 10.38
1764 157.080718994141 271646.8125 17.24
1765
1766 RECORD_TITLE: MZ:156.0767 | RT:47.7 | grpid:75 | file:1
1767 MS$FOCUSED_ION: PRECURSOR_M/Z 156.076675415039
1768 AC$CHROMATOGRAPHY: RETENTION_TIME 47.662548
1769 XCMS groupid (grpid): 75
1770 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
1771 PK$NUM_PEAK: 11
1772 PK$PEAK: m/z int. rel.int.
1773 110.07160949707 359536.25 22.82
1774 111.068382263184 255573.8125 16.22
1775 111.074981689453 1575368.5 100
1776 112.058601379395 5586.78466796875 0.35
1777 112.087120056152 11232.6259765625 0.71
1778 124.93775177002 5698.17578125 0.36
1779 130.062942504883 3413.16528320312 0.22
1780 131.066284179688 24558.26171875 1.56
1781 139.111953735352 3450.27368164062 0.22
1782 157.045669555664 163497.828125 10.38
1783 157.080718994141 271646.8125 17.24
1784
1785 RECORD_TITLE: MZ:156.0767 | RT:47.7 | grpid:75 | file:1
1786 MS$FOCUSED_ION: PRECURSOR_M/Z 156.076675415039
1787 AC$CHROMATOGRAPHY: RETENTION_TIME 47.662548
1788 XCMS groupid (grpid): 75
1789 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
1790 PK$NUM_PEAK: 8
1791 PK$PEAK: m/z int. rel.int.
1792 110.071533203125 31565072 100
1793 111.05542755127 171552.796875 0.54
1794 112.052299499512 48860.02734375 0.15
1795 130.062973022461 421869.625 1.34
1796 138.065444946289 38444.44140625 0.12
1797 139.050430297852 42066.9921875 0.13
1798 156.042053222656 2798386.5 8.87
1799 156.076690673828 4465763 14.15
1800
1801 RECORD_TITLE: MZ:156.0767 | RT:47.7 | grpid:75 | file:1
1802 MS$FOCUSED_ION: PRECURSOR_M/Z 156.076675415039
1803 AC$CHROMATOGRAPHY: RETENTION_TIME 47.662548
1804 XCMS groupid (grpid): 75
1805 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
1806 PK$NUM_PEAK: 8
1807 PK$PEAK: m/z int. rel.int.
1808 110.071533203125 31565072 100
1809 111.05542755127 171552.796875 0.54
1810 112.052299499512 48860.02734375 0.15
1811 130.062973022461 421869.625 1.34
1812 138.065444946289 38444.44140625 0.12
1813 139.050430297852 42066.9921875 0.13
1814 156.042053222656 2798386.5 8.87
1815 156.076690673828 4465763 14.15
1816
1817 RECORD_TITLE: MZ:156.0766 | RT:47.7 | grpid:75 | file:1
1818 MS$FOCUSED_ION: PRECURSOR_M/Z 156.076614379883
1819 AC$CHROMATOGRAPHY: RETENTION_TIME 47.662548
1820 XCMS groupid (grpid): 75
1821 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
1822 PK$NUM_PEAK: 12
1823 PK$PEAK: m/z int. rel.int.
1824 110.071617126465 103266.5625 22.61
1825 111.068412780762 74264.7734375 16.26
1826 111.074989318848 456690.28125 100
1827 122.022483825684 2308.142578125 0.51
1828 123.269805908203 2085.65356445312 0.46
1829 128.039825439453 2470.4228515625 0.54
1830 129.102127075195 13885.6689453125 3.04
1831 139.111801147461 3046.76831054688 0.67
1832 157.080810546875 81711.703125 17.89
1833 157.095642089844 4108.2177734375 0.9
1834 157.09797668457 3605.6943359375 0.79
1835 164.743133544922 2175.7744140625 0.48
1836
1837 RECORD_TITLE: MZ:156.0766 | RT:47.7 | grpid:75 | file:1
1838 MS$FOCUSED_ION: PRECURSOR_M/Z 156.076614379883
1839 AC$CHROMATOGRAPHY: RETENTION_TIME 47.662548
1840 XCMS groupid (grpid): 75
1841 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
1842 PK$NUM_PEAK: 12
1843 PK$PEAK: m/z int. rel.int.
1844 110.071617126465 103266.5625 22.61
1845 111.068412780762 74264.7734375 16.26
1846 111.074989318848 456690.28125 100
1847 122.022483825684 2308.142578125 0.51
1848 123.269805908203 2085.65356445312 0.46
1849 128.039825439453 2470.4228515625 0.54
1850 129.102127075195 13885.6689453125 3.04
1851 139.111801147461 3046.76831054688 0.67
1852 157.080810546875 81711.703125 17.89
1853 157.095642089844 4108.2177734375 0.9
1854 157.09797668457 3605.6943359375 0.79
1855 164.743133544922 2175.7744140625 0.48
1856
1857 RECORD_TITLE: MZ:156.0766 | RT:47.7 | grpid:75 | file:1
1858 MS$FOCUSED_ION: PRECURSOR_M/Z 156.076599121094
1859 AC$CHROMATOGRAPHY: RETENTION_TIME 47.662548
1860 XCMS groupid (grpid): 75
1861 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
1862 PK$NUM_PEAK: 13
1863 PK$PEAK: m/z int. rel.int.
1864 105.050170898438 2555.24609375 1.03
1865 108.688468933105 2078.55712890625 0.83
1866 109.076301574707 5360.916015625 2.15
1867 110.071685791016 57176.09765625 22.96
1868 111.06844329834 42945.76171875 17.24
1869 111.075035095215 249064.21875 100
1870 111.116966247559 3476.44995117188 1.4
1871 139.086654663086 22547.79296875 9.05
1872 139.111251831055 3504.47900390625 1.41
1873 157.061416625977 2445.43505859375 0.98
1874 157.080352783203 47631.3203125 19.12
1875 157.097396850586 13967.23046875 5.61
1876 174.818969726562 2215.97583007812 0.89
1877
1878 RECORD_TITLE: MZ:156.0766 | RT:47.7 | grpid:75 | file:1
1879 MS$FOCUSED_ION: PRECURSOR_M/Z 156.076599121094
1880 AC$CHROMATOGRAPHY: RETENTION_TIME 47.662548
1881 XCMS groupid (grpid): 75
1882 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
1883 PK$NUM_PEAK: 13
1884 PK$PEAK: m/z int. rel.int.
1885 105.050170898438 2555.24609375 1.03
1886 108.688468933105 2078.55712890625 0.83
1887 109.076301574707 5360.916015625 2.15
1888 110.071685791016 57176.09765625 22.96
1889 111.06844329834 42945.76171875 17.24
1890 111.075035095215 249064.21875 100
1891 111.116966247559 3476.44995117188 1.4
1892 139.086654663086 22547.79296875 9.05
1893 139.111251831055 3504.47900390625 1.41
1894 157.061416625977 2445.43505859375 0.98
1895 157.080352783203 47631.3203125 19.12
1896 157.097396850586 13967.23046875 5.61
1897 174.818969726562 2215.97583007812 0.89
1898
1899 RECORD_TITLE: MZ:156.0767 | RT:48.6 | grpid:75 | file:2
1900 MS$FOCUSED_ION: PRECURSOR_M/Z 156.076690673828
1901 AC$CHROMATOGRAPHY: RETENTION_TIME 48.5632728
1902 XCMS groupid (grpid): 75
1903 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
1904 PK$NUM_PEAK: 11
1905 PK$PEAK: m/z int. rel.int.
1906 110.071617126465 361957.15625 21.9
1907 111.068450927734 254450.640625 15.39
1908 111.074996948242 1653108.625 100
1909 112.058860778809 10019.439453125 0.61
1910 112.086982727051 10338.4228515625 0.63
1911 115.086982727051 4948.2099609375 0.3
1912 124.937767028809 5702.1201171875 0.34
1913 131.066818237305 17443.58203125 1.06
1914 157.027359008789 2748.53442382812 0.17
1915 157.045822143555 162176.234375 9.81
1916 157.080718994141 300890.78125 18.2
1917
1918 RECORD_TITLE: MZ:156.0767 | RT:48.6 | grpid:75 | file:2
1919 MS$FOCUSED_ION: PRECURSOR_M/Z 156.076690673828
1920 AC$CHROMATOGRAPHY: RETENTION_TIME 48.5632728
1921 XCMS groupid (grpid): 75
1922 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
1923 PK$NUM_PEAK: 11
1924 PK$PEAK: m/z int. rel.int.
1925 110.071617126465 361957.15625 21.9
1926 111.068450927734 254450.640625 15.39
1927 111.074996948242 1653108.625 100
1928 112.058860778809 10019.439453125 0.61
1929 112.086982727051 10338.4228515625 0.63
1930 115.086982727051 4948.2099609375 0.3
1931 124.937767028809 5702.1201171875 0.34
1932 131.066818237305 17443.58203125 1.06
1933 157.027359008789 2748.53442382812 0.17
1934 157.045822143555 162176.234375 9.81
1935 157.080718994141 300890.78125 18.2
1936
1937 RECORD_TITLE: MZ:156.0767 | RT:48.6 | grpid:75 | file:2
1938 MS$FOCUSED_ION: PRECURSOR_M/Z 156.076675415039
1939 AC$CHROMATOGRAPHY: RETENTION_TIME 48.5632728
1940 XCMS groupid (grpid): 75
1941 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
1942 PK$NUM_PEAK: 8
1943 PK$PEAK: m/z int. rel.int.
1944 110.071563720703 33750932 100
1945 111.055366516113 157039.265625 0.47
1946 112.052490234375 30169.251953125 0.09
1947 130.063003540039 383175.625 1.14
1948 138.065872192383 63303.015625 0.19
1949 139.049819946289 71545.4921875 0.21
1950 156.042083740234 2323007.5 6.88
1951 156.076721191406 4835160 14.33
1952
1953 RECORD_TITLE: MZ:156.0767 | RT:48.6 | grpid:75 | file:2
1954 MS$FOCUSED_ION: PRECURSOR_M/Z 156.076675415039
1955 AC$CHROMATOGRAPHY: RETENTION_TIME 48.5632728
1956 XCMS groupid (grpid): 75
1957 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
1958 PK$NUM_PEAK: 8
1959 PK$PEAK: m/z int. rel.int.
1960 110.071563720703 33750932 100
1961 111.055366516113 157039.265625 0.47
1962 112.052490234375 30169.251953125 0.09
1963 130.063003540039 383175.625 1.14
1964 138.065872192383 63303.015625 0.19
1965 139.049819946289 71545.4921875 0.21
1966 156.042083740234 2323007.5 6.88
1967 156.076721191406 4835160 14.33
1968
1969 RECORD_TITLE: MZ:156.0766 | RT:48.6 | grpid:75 | file:2
1970 MS$FOCUSED_ION: PRECURSOR_M/Z 156.076644897461
1971 AC$CHROMATOGRAPHY: RETENTION_TIME 48.5632728
1972 XCMS groupid (grpid): 75
1973 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
1974 PK$NUM_PEAK: 13
1975 PK$PEAK: m/z int. rel.int.
1976 110.071655273438 108305.28125 21.97
1977 111.068428039551 76372.7890625 15.49
1978 111.075019836426 493008.875 100
1979 121.101486206055 3041.99633789062 0.62
1980 128.92985534668 2140.91772460938 0.43
1981 129.102325439453 10940.189453125 2.22
1982 132.121475219727 2264.94140625 0.46
1983 139.086730957031 2482.73779296875 0.5
1984 150.740234375 2529.83618164062 0.51
1985 157.044326782227 3592.15795898438 0.73
1986 157.08088684082 79274.4609375 16.08
1987 157.120971679688 2555.38037109375 0.52
1988 163.923477172852 2484.58447265625 0.5
1989
1990 RECORD_TITLE: MZ:156.0766 | RT:48.6 | grpid:75 | file:2
1991 MS$FOCUSED_ION: PRECURSOR_M/Z 156.076644897461
1992 AC$CHROMATOGRAPHY: RETENTION_TIME 48.5632728
1993 XCMS groupid (grpid): 75
1994 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
1995 PK$NUM_PEAK: 13
1996 PK$PEAK: m/z int. rel.int.
1997 110.071655273438 108305.28125 21.97
1998 111.068428039551 76372.7890625 15.49
1999 111.075019836426 493008.875 100
2000 121.101486206055 3041.99633789062 0.62
2001 128.92985534668 2140.91772460938 0.43
2002 129.102325439453 10940.189453125 2.22
2003 132.121475219727 2264.94140625 0.46
2004 139.086730957031 2482.73779296875 0.5
2005 150.740234375 2529.83618164062 0.51
2006 157.044326782227 3592.15795898438 0.73
2007 157.08088684082 79274.4609375 16.08
2008 157.120971679688 2555.38037109375 0.52
2009 163.923477172852 2484.58447265625 0.5
2010
2011 RECORD_TITLE: MZ:156.0766 | RT:48.6 | grpid:75 | file:2
2012 MS$FOCUSED_ION: PRECURSOR_M/Z 156.076553344727
2013 AC$CHROMATOGRAPHY: RETENTION_TIME 48.5632728
2014 XCMS groupid (grpid): 75
2015 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
2016 PK$NUM_PEAK: 16
2017 PK$PEAK: m/z int. rel.int.
2018 107.847686767578 2009.65563964844 0.82
2019 109.076316833496 5142.29443359375 2.1
2020 109.354393005371 2353.12231445312 0.96
2021 110.071655273438 53518.078125 21.87
2022 111.068435668945 36084.25390625 14.74
2023 111.075004577637 244749.578125 100
2024 111.746681213379 2220.93774414062 0.91
2025 121.101303100586 2117.04711914062 0.86
2026 132.705078125 1994.12268066406 0.81
2027 139.076629638672 2329.56298828125 0.95
2028 139.086441040039 20191.62109375 8.25
2029 157.04264831543 2523.53955078125 1.03
2030 157.061660766602 2687.189453125 1.1
2031 157.080337524414 41752.5234375 17.06
2032 157.097229003906 13970.564453125 5.71
2033 175.968795776367 2350.83203125 0.96
2034
2035 RECORD_TITLE: MZ:156.0766 | RT:48.6 | grpid:75 | file:2
2036 MS$FOCUSED_ION: PRECURSOR_M/Z 156.076553344727
2037 AC$CHROMATOGRAPHY: RETENTION_TIME 48.5632728
2038 XCMS groupid (grpid): 75
2039 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
2040 PK$NUM_PEAK: 16
2041 PK$PEAK: m/z int. rel.int.
2042 107.847686767578 2009.65563964844 0.82
2043 109.076316833496 5142.29443359375 2.1
2044 109.354393005371 2353.12231445312 0.96
2045 110.071655273438 53518.078125 21.87
2046 111.068435668945 36084.25390625 14.74
2047 111.075004577637 244749.578125 100
2048 111.746681213379 2220.93774414062 0.91
2049 121.101303100586 2117.04711914062 0.86
2050 132.705078125 1994.12268066406 0.81
2051 139.076629638672 2329.56298828125 0.95
2052 139.086441040039 20191.62109375 8.25
2053 157.04264831543 2523.53955078125 1.03
2054 157.061660766602 2687.189453125 1.1
2055 157.080337524414 41752.5234375 17.06
2056 157.097229003906 13970.564453125 5.71
2057 175.968795776367 2350.83203125 0.96
2058
2059 RECORD_TITLE: MZ:158.0924 | RT:43.9 | grpid:77 | file:1
2060 MS$FOCUSED_ION: PRECURSOR_M/Z 158.092361450195
2061 AC$CHROMATOGRAPHY: RETENTION_TIME 43.9150368
2062 XCMS groupid (grpid): 77
2063 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
2064 PK$NUM_PEAK: 11
2065 PK$PEAK: m/z int. rel.int.
2066 102.091850280762 34783.19921875 10.7
2067 107.244758605957 2121.91967773438 0.65
2068 110.07160949707 3791.80151367188 1.17
2069 112.087249755859 158544.46875 48.75
2070 113.071388244629 4898.7001953125 1.51
2071 115.08674621582 2881.50634765625 0.89
2072 116.07105255127 45644.90234375 14.04
2073 141.065841674805 12014.9599609375 3.69
2074 158.092422485352 325199.53125 100
2075 158.153823852539 69871.78125 21.49
2076 159.077056884766 3031.5615234375 0.93
2077
2078 RECORD_TITLE: MZ:158.0924 | RT:43.9 | grpid:77 | file:1
2079 MS$FOCUSED_ION: PRECURSOR_M/Z 158.092361450195
2080 AC$CHROMATOGRAPHY: RETENTION_TIME 43.9150368
2081 XCMS groupid (grpid): 77
2082 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
2083 PK$NUM_PEAK: 11
2084 PK$PEAK: m/z int. rel.int.
2085 102.091850280762 34783.19921875 10.7
2086 107.244758605957 2121.91967773438 0.65
2087 110.07160949707 3791.80151367188 1.17
2088 112.087249755859 158544.46875 48.75
2089 113.071388244629 4898.7001953125 1.51
2090 115.08674621582 2881.50634765625 0.89
2091 116.07105255127 45644.90234375 14.04
2092 141.065841674805 12014.9599609375 3.69
2093 158.092422485352 325199.53125 100
2094 158.153823852539 69871.78125 21.49
2095 159.077056884766 3031.5615234375 0.93
2096
2097 RECORD_TITLE: MZ:158.0924 | RT:44.1 | grpid:77 | file:2
2098 MS$FOCUSED_ION: PRECURSOR_M/Z 158.092376708984
2099 AC$CHROMATOGRAPHY: RETENTION_TIME 44.0806488
2100 XCMS groupid (grpid): 77
2101 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
2102 PK$NUM_PEAK: 13
2103 PK$PEAK: m/z int. rel.int.
2104 102.091728210449 38012.30078125 14
2105 110.071365356445 5420.17724609375 2
2106 112.079177856445 4014.5673828125 1.48
2107 112.087257385254 113204.078125 41.71
2108 116.070816040039 34744.171875 12.8
2109 131.929992675781 2230.50756835938 0.82
2110 141.065704345703 4895.40673828125 1.8
2111 154.506774902344 2119.57861328125 0.78
2112 158.092391967773 271429.09375 100
2113 158.154037475586 81701.859375 30.1
2114 158.583435058594 2426.4375 0.89
2115 159.076904296875 3193.85131835938 1.18
2116 159.090621948242 2369.67138671875 0.87
2117
2118 RECORD_TITLE: MZ:158.0924 | RT:44.1 | grpid:77 | file:2
2119 MS$FOCUSED_ION: PRECURSOR_M/Z 158.092376708984
2120 AC$CHROMATOGRAPHY: RETENTION_TIME 44.0806488
2121 XCMS groupid (grpid): 77
2122 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
2123 PK$NUM_PEAK: 13
2124 PK$PEAK: m/z int. rel.int.
2125 102.091728210449 38012.30078125 14
2126 110.071365356445 5420.17724609375 2
2127 112.079177856445 4014.5673828125 1.48
2128 112.087257385254 113204.078125 41.71
2129 116.070816040039 34744.171875 12.8
2130 131.929992675781 2230.50756835938 0.82
2131 141.065704345703 4895.40673828125 1.8
2132 154.506774902344 2119.57861328125 0.78
2133 158.092391967773 271429.09375 100
2134 158.154037475586 81701.859375 30.1
2135 158.583435058594 2426.4375 0.89
2136 159.076904296875 3193.85131835938 1.18
2137 159.090621948242 2369.67138671875 0.87
2138
2139 RECORD_TITLE: MZ:164.9301 | RT:40.2 | grpid:88 | file:1
2140 MS$FOCUSED_ION: PRECURSOR_M/Z 164.930053710938
2141 AC$CHROMATOGRAPHY: RETENTION_TIME 40.1901702
2142 XCMS groupid (grpid): 88
2143 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
2144 PK$NUM_PEAK: 3
2145 PK$PEAK: m/z int. rel.int.
2146 113.554153442383 2184.888671875 0.2
2147 164.930191040039 1087757.25 100
2148 165.09033203125 2780.28442382812 0.26
2149
2150 RECORD_TITLE: MZ:164.9301 | RT:40.2 | grpid:88 | file:1
2151 MS$FOCUSED_ION: PRECURSOR_M/Z 164.930053710938
2152 AC$CHROMATOGRAPHY: RETENTION_TIME 40.1901702
2153 XCMS groupid (grpid): 88
2154 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
2155 PK$NUM_PEAK: 3
2156 PK$PEAK: m/z int. rel.int.
2157 113.554153442383 2184.888671875 0.2
2158 164.930191040039 1087757.25 100
2159 165.09033203125 2780.28442382812 0.26
2160
2161 RECORD_TITLE: MZ:164.9301 | RT:40.3 | grpid:88 | file:2
2162 MS$FOCUSED_ION: PRECURSOR_M/Z 164.930099487305
2163 AC$CHROMATOGRAPHY: RETENTION_TIME 40.331784
2164 XCMS groupid (grpid): 88
2165 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
2166 PK$NUM_PEAK: 2
2167 PK$PEAK: m/z int. rel.int.
2168 140.266235351562 2726.23486328125 0.26
2169 164.930282592773 1068471.625 100
2170
2171 RECORD_TITLE: MZ:164.9301 | RT:40.3 | grpid:88 | file:2
2172 MS$FOCUSED_ION: PRECURSOR_M/Z 164.930099487305
2173 AC$CHROMATOGRAPHY: RETENTION_TIME 40.331784
2174 XCMS groupid (grpid): 88
2175 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
2176 PK$NUM_PEAK: 2
2177 PK$PEAK: m/z int. rel.int.
2178 140.266235351562 2726.23486328125 0.26
2179 164.930282592773 1068471.625 100
2180
2181 RECORD_TITLE: MZ:165.0545 | RT:70.5 | grpid:89 | file:1
2182 MS$FOCUSED_ION: PRECURSOR_M/Z 165.054473876953
2183 AC$CHROMATOGRAPHY: RETENTION_TIME 70.461672
2184 XCMS groupid (grpid): 89
2185 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
2186 PK$NUM_PEAK: 15
2187 PK$PEAK: m/z int. rel.int.
2188 103.047622680664 7486.65576171875 0.14
2189 103.054641723633 223038.375 4.22
2190 105.044769287109 26794.7265625 0.51
2191 107.049537658691 6146.01904296875 0.12
2192 109.065132141113 162532.046875 3.07
2193 119.049369812012 2385580.5 45.13
2194 120.056350708008 3493.94995117188 0.07
2195 120.808494567871 3175.38256835938 0.06
2196 121.064964294434 132913.046875 2.51
2197 123.04419708252 5286076.5 100
2198 137.049652099609 5130.408203125 0.1
2199 137.05973815918 109032.796875 2.06
2200 147.043975830078 1008241.625 19.07
2201 164.070602416992 15849.2646484375 0.3
2202 165.054550170898 263223.46875 4.98
2203
2204 RECORD_TITLE: MZ:165.0545 | RT:70.5 | grpid:89 | file:1
2205 MS$FOCUSED_ION: PRECURSOR_M/Z 165.054473876953
2206 AC$CHROMATOGRAPHY: RETENTION_TIME 70.461672
2207 XCMS groupid (grpid): 89
2208 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
2209 PK$NUM_PEAK: 15
2210 PK$PEAK: m/z int. rel.int.
2211 103.047622680664 7486.65576171875 0.14
2212 103.054641723633 223038.375 4.22
2213 105.044769287109 26794.7265625 0.51
2214 107.049537658691 6146.01904296875 0.12
2215 109.065132141113 162532.046875 3.07
2216 119.049369812012 2385580.5 45.13
2217 120.056350708008 3493.94995117188 0.07
2218 120.808494567871 3175.38256835938 0.06
2219 121.064964294434 132913.046875 2.51
2220 123.04419708252 5286076.5 100
2221 137.049652099609 5130.408203125 0.1
2222 137.05973815918 109032.796875 2.06
2223 147.043975830078 1008241.625 19.07
2224 164.070602416992 15849.2646484375 0.3
2225 165.054550170898 263223.46875 4.98
2226
2227 RECORD_TITLE: MZ:165.0544 | RT:70.5 | grpid:89 | file:1
2228 MS$FOCUSED_ION: PRECURSOR_M/Z 165.054412841797
2229 AC$CHROMATOGRAPHY: RETENTION_TIME 70.461672
2230 XCMS groupid (grpid): 89
2231 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
2232 PK$NUM_PEAK: 14
2233 PK$PEAK: m/z int. rel.int.
2234 103.054786682129 27086.0703125 3.95
2235 109.065139770508 18075.359375 2.63
2236 110.195671081543 2245.8408203125 0.33
2237 112.572219848633 2393.64599609375 0.35
2238 119.049392700195 292255.15625 42.57
2239 119.961051940918 2566.78955078125 0.37
2240 121.06517791748 12046.9794921875 1.75
2241 123.044273376465 686514 100
2242 135.623550415039 2902.09716796875 0.42
2243 137.059448242188 16255.1708984375 2.37
2244 137.0966796875 2327.9169921875 0.34
2245 147.044006347656 127812.8203125 18.62
2246 165.054626464844 38177.86328125 5.56
2247 165.091033935547 3725.4970703125 0.54
2248
2249 RECORD_TITLE: MZ:165.0544 | RT:70.5 | grpid:89 | file:1
2250 MS$FOCUSED_ION: PRECURSOR_M/Z 165.054412841797
2251 AC$CHROMATOGRAPHY: RETENTION_TIME 70.461672
2252 XCMS groupid (grpid): 89
2253 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
2254 PK$NUM_PEAK: 14
2255 PK$PEAK: m/z int. rel.int.
2256 103.054786682129 27086.0703125 3.95
2257 109.065139770508 18075.359375 2.63
2258 110.195671081543 2245.8408203125 0.33
2259 112.572219848633 2393.64599609375 0.35
2260 119.049392700195 292255.15625 42.57
2261 119.961051940918 2566.78955078125 0.37
2262 121.06517791748 12046.9794921875 1.75
2263 123.044273376465 686514 100
2264 135.623550415039 2902.09716796875 0.42
2265 137.059448242188 16255.1708984375 2.37
2266 137.0966796875 2327.9169921875 0.34
2267 147.044006347656 127812.8203125 18.62
2268 165.054626464844 38177.86328125 5.56
2269 165.091033935547 3725.4970703125 0.54
2270
2271 RECORD_TITLE: MZ:165.0545 | RT:70.6 | grpid:89 | file:2
2272 MS$FOCUSED_ION: PRECURSOR_M/Z 165.054458618164
2273 AC$CHROMATOGRAPHY: RETENTION_TIME 70.627524
2274 XCMS groupid (grpid): 89
2275 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
2276 PK$NUM_PEAK: 16
2277 PK$PEAK: m/z int. rel.int.
2278 100.539291381836 3935.75927734375 0.04
2279 103.054618835449 417247.46875 4.08
2280 105.044906616211 40683.4765625 0.4
2281 107.049537658691 10046.58203125 0.1
2282 109.065093994141 317792.625 3.11
2283 118.064872741699 5888.3603515625 0.06
2284 119.049331665039 4706528.5 46.06
2285 120.057350158691 6141.52197265625 0.06
2286 121.064956665039 244430.125 2.39
2287 123.044151306152 10217871 100
2288 137.0595703125 230678.90625 2.26
2289 137.070190429688 8523.322265625 0.08
2290 147.043930053711 1982656.25 19.4
2291 160.074890136719 7089.93896484375 0.07
2292 164.070022583008 30664.130859375 0.3
2293 165.054534912109 567130.625 5.55
2294
2295 RECORD_TITLE: MZ:165.0545 | RT:70.6 | grpid:89 | file:2
2296 MS$FOCUSED_ION: PRECURSOR_M/Z 165.054458618164
2297 AC$CHROMATOGRAPHY: RETENTION_TIME 70.627524
2298 XCMS groupid (grpid): 89
2299 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
2300 PK$NUM_PEAK: 16
2301 PK$PEAK: m/z int. rel.int.
2302 100.539291381836 3935.75927734375 0.04
2303 103.054618835449 417247.46875 4.08
2304 105.044906616211 40683.4765625 0.4
2305 107.049537658691 10046.58203125 0.1
2306 109.065093994141 317792.625 3.11
2307 118.064872741699 5888.3603515625 0.06
2308 119.049331665039 4706528.5 46.06
2309 120.057350158691 6141.52197265625 0.06
2310 121.064956665039 244430.125 2.39
2311 123.044151306152 10217871 100
2312 137.0595703125 230678.90625 2.26
2313 137.070190429688 8523.322265625 0.08
2314 147.043930053711 1982656.25 19.4
2315 160.074890136719 7089.93896484375 0.07
2316 164.070022583008 30664.130859375 0.3
2317 165.054534912109 567130.625 5.55
2318
2319 RECORD_TITLE: MZ:170.0923 | RT:61.4 | grpid:97 | file:1
2320 MS$FOCUSED_ION: PRECURSOR_M/Z 170.092300415039
2321 AC$CHROMATOGRAPHY: RETENTION_TIME 61.39704
2322 XCMS groupid (grpid): 97
2323 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
2324 PK$NUM_PEAK: 18
2325 PK$PEAK: m/z int. rel.int.
2326 107.060882568359 13947.8642578125 0.27
2327 109.076377868652 875055.4375 16.84
2328 111.044410705566 4904.21484375 0.09
2329 112.021850585938 20233.5703125 0.39
2330 112.040084838867 4812.08251953125 0.09
2331 124.006614685059 18975.83203125 0.37
2332 124.087074279785 5196432 100
2333 125.07105255127 98465.453125 1.89
2334 126.102478027344 32363.91015625 0.62
2335 128.070465087891 11916.4609375 0.23
2336 128.375854492188 2823.04077148438 0.05
2337 137.094619750977 4673.388671875 0.09
2338 152.082061767578 15502.189453125 0.3
2339 153.065658569336 15046.19921875 0.29
2340 153.074935913086 12192.38671875 0.23
2341 167.822860717773 2906.9189453125 0.06
2342 170.092407226562 1208969.5 23.27
2343 180.280914306641 3006.041015625 0.06
2344
2345 RECORD_TITLE: MZ:170.0923 | RT:61.4 | grpid:97 | file:1
2346 MS$FOCUSED_ION: PRECURSOR_M/Z 170.092300415039
2347 AC$CHROMATOGRAPHY: RETENTION_TIME 61.39704
2348 XCMS groupid (grpid): 97
2349 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
2350 PK$NUM_PEAK: 18
2351 PK$PEAK: m/z int. rel.int.
2352 107.060882568359 13947.8642578125 0.27
2353 109.076377868652 875055.4375 16.84
2354 111.044410705566 4904.21484375 0.09
2355 112.021850585938 20233.5703125 0.39
2356 112.040084838867 4812.08251953125 0.09
2357 124.006614685059 18975.83203125 0.37
2358 124.087074279785 5196432 100
2359 125.07105255127 98465.453125 1.89
2360 126.102478027344 32363.91015625 0.62
2361 128.070465087891 11916.4609375 0.23
2362 128.375854492188 2823.04077148438 0.05
2363 137.094619750977 4673.388671875 0.09
2364 152.082061767578 15502.189453125 0.3
2365 153.065658569336 15046.19921875 0.29
2366 153.074935913086 12192.38671875 0.23
2367 167.822860717773 2906.9189453125 0.06
2368 170.092407226562 1208969.5 23.27
2369 180.280914306641 3006.041015625 0.06
2370
2371 RECORD_TITLE: MZ:170.0922 | RT:61.4 | grpid:97 | file:1
2372 MS$FOCUSED_ION: PRECURSOR_M/Z 170.092178344727
2373 AC$CHROMATOGRAPHY: RETENTION_TIME 61.39704
2374 XCMS groupid (grpid): 97
2375 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
2376 PK$NUM_PEAK: 11
2377 PK$PEAK: m/z int. rel.int.
2378 107.060668945312 16450.158203125 0.28
2379 109.076354980469 971361 16.31
2380 121.661956787109 4326.87255859375 0.07
2381 124.087051391602 5956593 100
2382 125.070938110352 102573.7578125 1.72
2383 126.102600097656 31464.376953125 0.53
2384 141.993515014648 6673.248046875 0.11
2385 152.0810546875 13190.3134765625 0.22
2386 153.064743041992 9025.560546875 0.15
2387 153.075302124023 6579.4365234375 0.11
2388 170.092330932617 1301886.75 21.86
2389
2390 RECORD_TITLE: MZ:170.0922 | RT:61.4 | grpid:97 | file:1
2391 MS$FOCUSED_ION: PRECURSOR_M/Z 170.092178344727
2392 AC$CHROMATOGRAPHY: RETENTION_TIME 61.39704
2393 XCMS groupid (grpid): 97
2394 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
2395 PK$NUM_PEAK: 11
2396 PK$PEAK: m/z int. rel.int.
2397 107.060668945312 16450.158203125 0.28
2398 109.076354980469 971361 16.31
2399 121.661956787109 4326.87255859375 0.07
2400 124.087051391602 5956593 100
2401 125.070938110352 102573.7578125 1.72
2402 126.102600097656 31464.376953125 0.53
2403 141.993515014648 6673.248046875 0.11
2404 152.0810546875 13190.3134765625 0.22
2405 153.064743041992 9025.560546875 0.15
2406 153.075302124023 6579.4365234375 0.11
2407 170.092330932617 1301886.75 21.86
2408
2409 RECORD_TITLE: MZ:170.0922 | RT:61.4 | grpid:97 | file:1
2410 MS$FOCUSED_ION: PRECURSOR_M/Z 170.092163085938
2411 AC$CHROMATOGRAPHY: RETENTION_TIME 61.39704
2412 XCMS groupid (grpid): 97
2413 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
2414 PK$NUM_PEAK: 15
2415 PK$PEAK: m/z int. rel.int.
2416 105.145324707031 2245.89477539062 0.1
2417 105.334617614746 2476.71166992188 0.11
2418 107.060562133789 4008.23803710938 0.18
2419 109.076377868652 380233.625 17.41
2420 124.087089538574 2184260.75 100
2421 125.071083068848 38325.93359375 1.75
2422 126.102661132812 15777.12109375 0.72
2423 135.064315795898 2614.66577148438 0.12
2424 138.995697021484 2447.607421875 0.11
2425 153.064514160156 5492.046875 0.25
2426 153.742645263672 2643.74096679688 0.12
2427 161.57975769043 2614.66870117188 0.12
2428 170.092407226562 508832.28125 23.3
2429 176.97477722168 2473.40576171875 0.11
2430 182.148513793945 2651.91015625 0.12
2431
2432 RECORD_TITLE: MZ:170.0922 | RT:61.4 | grpid:97 | file:1
2433 MS$FOCUSED_ION: PRECURSOR_M/Z 170.092163085938
2434 AC$CHROMATOGRAPHY: RETENTION_TIME 61.39704
2435 XCMS groupid (grpid): 97
2436 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
2437 PK$NUM_PEAK: 15
2438 PK$PEAK: m/z int. rel.int.
2439 105.145324707031 2245.89477539062 0.1
2440 105.334617614746 2476.71166992188 0.11
2441 107.060562133789 4008.23803710938 0.18
2442 109.076377868652 380233.625 17.41
2443 124.087089538574 2184260.75 100
2444 125.071083068848 38325.93359375 1.75
2445 126.102661132812 15777.12109375 0.72
2446 135.064315795898 2614.66577148438 0.12
2447 138.995697021484 2447.607421875 0.11
2448 153.064514160156 5492.046875 0.25
2449 153.742645263672 2643.74096679688 0.12
2450 161.57975769043 2614.66870117188 0.12
2451 170.092407226562 508832.28125 23.3
2452 176.97477722168 2473.40576171875 0.11
2453 182.148513793945 2651.91015625 0.12
2454
2455 RECORD_TITLE: MZ:170.0922 | RT:61.5 | grpid:97 | file:2
2456 MS$FOCUSED_ION: PRECURSOR_M/Z 170.092239379883
2457 AC$CHROMATOGRAPHY: RETENTION_TIME 61.541034
2458 XCMS groupid (grpid): 97
2459 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
2460 PK$NUM_PEAK: 24
2461 PK$PEAK: m/z int. rel.int.
2462 107.060768127441 15373.5869140625 0.24
2463 109.076347351074 1060502.625 16.79
2464 110.060234069824 4025.34326171875 0.06
2465 111.044258117676 3225.56713867188 0.05
2466 111.055854797363 2995.06518554688 0.05
2467 112.021827697754 21773.23828125 0.34
2468 112.039588928223 4353.66796875 0.07
2469 118.223335266113 3222.78784179688 0.05
2470 124.006942749023 20512.58203125 0.32
2471 124.087036132812 6316565 100
2472 125.07105255127 102709.859375 1.63
2473 126.1025390625 37860.5859375 0.6
2474 128.070678710938 5952.794921875 0.09
2475 135.063735961914 5252.74267578125 0.08
2476 137.094528198242 3160.576171875 0.05
2477 152.081436157227 17513.4375 0.28
2478 153.06559753418 15973.048828125 0.25
2479 153.074905395508 14161.6572265625 0.22
2480 154.203018188477 2757.21899414062 0.04
2481 156.361328125 2914.513671875 0.05
2482 170.092315673828 1509572.625 23.9
2483 172.105773925781 3184.48876953125 0.05
2484 175.105651855469 2735.99536132812 0.04
2485 184.918167114258 2798.25317382812 0.04
2486
2487 RECORD_TITLE: MZ:170.0922 | RT:61.5 | grpid:97 | file:2
2488 MS$FOCUSED_ION: PRECURSOR_M/Z 170.092239379883
2489 AC$CHROMATOGRAPHY: RETENTION_TIME 61.541034
2490 XCMS groupid (grpid): 97
2491 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
2492 PK$NUM_PEAK: 24
2493 PK$PEAK: m/z int. rel.int.
2494 107.060768127441 15373.5869140625 0.24
2495 109.076347351074 1060502.625 16.79
2496 110.060234069824 4025.34326171875 0.06
2497 111.044258117676 3225.56713867188 0.05
2498 111.055854797363 2995.06518554688 0.05
2499 112.021827697754 21773.23828125 0.34
2500 112.039588928223 4353.66796875 0.07
2501 118.223335266113 3222.78784179688 0.05
2502 124.006942749023 20512.58203125 0.32
2503 124.087036132812 6316565 100
2504 125.07105255127 102709.859375 1.63
2505 126.1025390625 37860.5859375 0.6
2506 128.070678710938 5952.794921875 0.09
2507 135.063735961914 5252.74267578125 0.08
2508 137.094528198242 3160.576171875 0.05
2509 152.081436157227 17513.4375 0.28
2510 153.06559753418 15973.048828125 0.25
2511 153.074905395508 14161.6572265625 0.22
2512 154.203018188477 2757.21899414062 0.04
2513 156.361328125 2914.513671875 0.05
2514 170.092315673828 1509572.625 23.9
2515 172.105773925781 3184.48876953125 0.05
2516 175.105651855469 2735.99536132812 0.04
2517 184.918167114258 2798.25317382812 0.04
2518
2519 RECORD_TITLE: MZ:170.0922 | RT:61.5 | grpid:97 | file:2
2520 MS$FOCUSED_ION: PRECURSOR_M/Z 170.092193603516
2521 AC$CHROMATOGRAPHY: RETENTION_TIME 61.541034
2522 XCMS groupid (grpid): 97
2523 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
2524 PK$NUM_PEAK: 14
2525 PK$PEAK: m/z int. rel.int.
2526 107.060707092285 18156.0234375 0.31
2527 109.07633972168 978256.6875 16.52
2528 124.087051391602 5920406.5 100
2529 124.776504516602 5156.34765625 0.09
2530 125.071044921875 115028.09375 1.94
2531 126.102554321289 21559.130859375 0.36
2532 128.069946289062 3624.29907226562 0.06
2533 140.227127075195 3592.73754882812 0.06
2534 141.993194580078 8866.5546875 0.15
2535 152.082260131836 7487.27587890625 0.13
2536 153.065353393555 16031.298828125 0.27
2537 161.486694335938 3798.95678710938 0.06
2538 164.813598632812 4068.50659179688 0.07
2539 170.092330932617 1292886.25 21.84
2540
2541 RECORD_TITLE: MZ:170.0922 | RT:61.5 | grpid:97 | file:2
2542 MS$FOCUSED_ION: PRECURSOR_M/Z 170.092193603516
2543 AC$CHROMATOGRAPHY: RETENTION_TIME 61.541034
2544 XCMS groupid (grpid): 97
2545 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
2546 PK$NUM_PEAK: 14
2547 PK$PEAK: m/z int. rel.int.
2548 107.060707092285 18156.0234375 0.31
2549 109.07633972168 978256.6875 16.52
2550 124.087051391602 5920406.5 100
2551 124.776504516602 5156.34765625 0.09
2552 125.071044921875 115028.09375 1.94
2553 126.102554321289 21559.130859375 0.36
2554 128.069946289062 3624.29907226562 0.06
2555 140.227127075195 3592.73754882812 0.06
2556 141.993194580078 8866.5546875 0.15
2557 152.082260131836 7487.27587890625 0.13
2558 153.065353393555 16031.298828125 0.27
2559 161.486694335938 3798.95678710938 0.06
2560 164.813598632812 4068.50659179688 0.07
2561 170.092330932617 1292886.25 21.84
2562
2563 RECORD_TITLE: MZ:170.0922 | RT:61.5 | grpid:97 | file:2
2564 MS$FOCUSED_ION: PRECURSOR_M/Z 170.092163085938
2565 AC$CHROMATOGRAPHY: RETENTION_TIME 61.541034
2566 XCMS groupid (grpid): 97
2567 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
2568 PK$NUM_PEAK: 12
2569 PK$PEAK: m/z int. rel.int.
2570 101.621025085449 2269.9384765625 0.09
2571 107.060638427734 3229.0859375 0.13
2572 109.076332092285 417766.28125 16.91
2573 124.087066650391 2470912.5 100
2574 125.070953369141 43200.68359375 1.75
2575 126.102294921875 18560.83203125 0.75
2576 133.88542175293 2765.97875976562 0.11
2577 136.17431640625 2527.61645507812 0.1
2578 152.081909179688 4845.8095703125 0.2
2579 153.064727783203 4441.82763671875 0.18
2580 163.20768737793 2920.42114257812 0.12
2581 170.092361450195 564725.8125 22.85
2582
2583 RECORD_TITLE: MZ:170.0922 | RT:61.5 | grpid:97 | file:2
2584 MS$FOCUSED_ION: PRECURSOR_M/Z 170.092163085938
2585 AC$CHROMATOGRAPHY: RETENTION_TIME 61.541034
2586 XCMS groupid (grpid): 97
2587 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
2588 PK$NUM_PEAK: 12
2589 PK$PEAK: m/z int. rel.int.
2590 101.621025085449 2269.9384765625 0.09
2591 107.060638427734 3229.0859375 0.13
2592 109.076332092285 417766.28125 16.91
2593 124.087066650391 2470912.5 100
2594 125.070953369141 43200.68359375 1.75
2595 126.102294921875 18560.83203125 0.75
2596 133.88542175293 2765.97875976562 0.11
2597 136.17431640625 2527.61645507812 0.1
2598 152.081909179688 4845.8095703125 0.2
2599 153.064727783203 4441.82763671875 0.18
2600 163.20768737793 2920.42114257812 0.12
2601 170.092361450195 564725.8125 22.85
2602
2603 RECORD_TITLE: MZ:178.0585 | RT:45.4 | grpid:106 | file:1
2604 MS$FOCUSED_ION: PRECURSOR_M/Z 178.058502197266
2605 AC$CHROMATOGRAPHY: RETENTION_TIME 45.3966672
2606 XCMS groupid (grpid): 106
2607 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
2608 PK$NUM_PEAK: 8
2609 PK$PEAK: m/z int. rel.int.
2610 105.042701721191 18699.494140625 1.23
2611 132.053298950195 6451.77587890625 0.42
2612 133.037292480469 317993.375 20.91
2613 134.069046020508 18599.423828125 1.22
2614 139.946014404297 3551.38818359375 0.23
2615 160.047637939453 14908.2802734375 0.98
2616 161.032012939453 5340.20654296875 0.35
2617 178.058624267578 1521016.25 100
2618
2619 RECORD_TITLE: MZ:178.0585 | RT:45.4 | grpid:106 | file:1
2620 MS$FOCUSED_ION: PRECURSOR_M/Z 178.058502197266
2621 AC$CHROMATOGRAPHY: RETENTION_TIME 45.3966672
2622 XCMS groupid (grpid): 106
2623 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
2624 PK$NUM_PEAK: 8
2625 PK$PEAK: m/z int. rel.int.
2626 105.042701721191 18699.494140625 1.23
2627 132.053298950195 6451.77587890625 0.42
2628 133.037292480469 317993.375 20.91
2629 134.069046020508 18599.423828125 1.22
2630 139.946014404297 3551.38818359375 0.23
2631 160.047637939453 14908.2802734375 0.98
2632 161.032012939453 5340.20654296875 0.35
2633 178.058624267578 1521016.25 100
2634
2635 RECORD_TITLE: MZ:178.0585 | RT:45.5 | grpid:106 | file:2
2636 MS$FOCUSED_ION: PRECURSOR_M/Z 178.058502197266
2637 AC$CHROMATOGRAPHY: RETENTION_TIME 45.5280288
2638 XCMS groupid (grpid): 106
2639 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
2640 PK$NUM_PEAK: 8
2641 PK$PEAK: m/z int. rel.int.
2642 105.042724609375 14917.9775390625 0.99
2643 119.994201660156 3506.71118164062 0.23
2644 133.037322998047 331483.9375 22.1
2645 134.069076538086 17777.802734375 1.19
2646 160.048583984375 23262.9453125 1.55
2647 161.032791137695 5786.8955078125 0.39
2648 178.058654785156 1500183.125 100
2649 182.990447998047 3695.43188476562 0.25
2650
2651 RECORD_TITLE: MZ:178.0585 | RT:45.5 | grpid:106 | file:2
2652 MS$FOCUSED_ION: PRECURSOR_M/Z 178.058502197266
2653 AC$CHROMATOGRAPHY: RETENTION_TIME 45.5280288
2654 XCMS groupid (grpid): 106
2655 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
2656 PK$NUM_PEAK: 8
2657 PK$PEAK: m/z int. rel.int.
2658 105.042724609375 14917.9775390625 0.99
2659 119.994201660156 3506.71118164062 0.23
2660 133.037322998047 331483.9375 22.1
2661 134.069076538086 17777.802734375 1.19
2662 160.048583984375 23262.9453125 1.55
2663 161.032791137695 5786.8955078125 0.39
2664 178.058654785156 1500183.125 100
2665 182.990447998047 3695.43188476562 0.25
2666
2667 RECORD_TITLE: MZ:182.0809 | RT:70.5 | grpid:114 | file:1
2668 MS$FOCUSED_ION: PRECURSOR_M/Z 182.080947875977
2669 AC$CHROMATOGRAPHY: RETENTION_TIME 70.461672
2670 XCMS groupid (grpid): 114
2671 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
2672 PK$NUM_PEAK: 14
2673 PK$PEAK: m/z int. rel.int.
2674 103.054595947266 103726.984375 1.11
2675 107.049354553223 97268.375 1.04
2676 108.08130645752 17050.2421875 0.18
2677 109.064964294434 90102.03125 0.96
2678 118.065231323242 106985.28125 1.15
2679 119.049301147461 3398074.5 36.39
2680 121.064971923828 123469.3671875 1.32
2681 123.044151306152 4669008 50
2682 136.075576782227 9337911 100
2683 137.059539794922 52548.7421875 0.56
2684 147.043884277344 1583597.75 16.96
2685 164.071044921875 14618.810546875 0.16
2686 165.054504394531 3043035.5 32.59
2687 182.081039428711 308739.4375 3.31
2688
2689 RECORD_TITLE: MZ:182.0809 | RT:70.5 | grpid:114 | file:1
2690 MS$FOCUSED_ION: PRECURSOR_M/Z 182.080947875977
2691 AC$CHROMATOGRAPHY: RETENTION_TIME 70.461672
2692 XCMS groupid (grpid): 114
2693 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
2694 PK$NUM_PEAK: 14
2695 PK$PEAK: m/z int. rel.int.
2696 103.054595947266 103726.984375 1.11
2697 107.049354553223 97268.375 1.04
2698 108.08130645752 17050.2421875 0.18
2699 109.064964294434 90102.03125 0.96
2700 118.065231323242 106985.28125 1.15
2701 119.049301147461 3398074.5 36.39
2702 121.064971923828 123469.3671875 1.32
2703 123.044151306152 4669008 50
2704 136.075576782227 9337911 100
2705 137.059539794922 52548.7421875 0.56
2706 147.043884277344 1583597.75 16.96
2707 164.071044921875 14618.810546875 0.16
2708 165.054504394531 3043035.5 32.59
2709 182.081039428711 308739.4375 3.31
2710
2711 RECORD_TITLE: MZ:182.081 | RT:70.5 | grpid:114 | file:1
2712 MS$FOCUSED_ION: PRECURSOR_M/Z 182.080978393555
2713 AC$CHROMATOGRAPHY: RETENTION_TIME 70.461672
2714 XCMS groupid (grpid): 114
2715 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
2716 PK$NUM_PEAK: 20
2717 PK$PEAK: m/z int. rel.int.
2718 100.320121765137 9264.521484375 0.14
2719 103.054878234863 74545.140625 1.15
2720 107.049629211426 51817.8359375 0.8
2721 109.065185546875 53715.26953125 0.83
2722 109.256134033203 9142.06640625 0.14
2723 110.722190856934 11098.7626953125 0.17
2724 118.065391540527 64749.48046875 1
2725 119.04940032959 2214452.25 34.21
2726 120.90535736084 9636.4365234375 0.15
2727 121.064880371094 82741.59375 1.28
2728 123.013374328613 10256.3466796875 0.16
2729 123.04426574707 3151862.75 48.7
2730 136.075729370117 6472187.5 100
2731 137.059829711914 23775.451171875 0.37
2732 147.043975830078 1107921.375 17.12
2733 148.275634765625 12212.5771484375 0.19
2734 165.054626464844 2178420.75 33.66
2735 171.065704345703 10540.208984375 0.16
2736 182.080993652344 193054.875 2.98
2737 203.00358581543 10252.1640625 0.16
2738
2739 RECORD_TITLE: MZ:182.081 | RT:70.5 | grpid:114 | file:1
2740 MS$FOCUSED_ION: PRECURSOR_M/Z 182.080978393555
2741 AC$CHROMATOGRAPHY: RETENTION_TIME 70.461672
2742 XCMS groupid (grpid): 114
2743 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
2744 PK$NUM_PEAK: 20
2745 PK$PEAK: m/z int. rel.int.
2746 100.320121765137 9264.521484375 0.14
2747 103.054878234863 74545.140625 1.15
2748 107.049629211426 51817.8359375 0.8
2749 109.065185546875 53715.26953125 0.83
2750 109.256134033203 9142.06640625 0.14
2751 110.722190856934 11098.7626953125 0.17
2752 118.065391540527 64749.48046875 1
2753 119.04940032959 2214452.25 34.21
2754 120.90535736084 9636.4365234375 0.15
2755 121.064880371094 82741.59375 1.28
2756 123.013374328613 10256.3466796875 0.16
2757 123.04426574707 3151862.75 48.7
2758 136.075729370117 6472187.5 100
2759 137.059829711914 23775.451171875 0.37
2760 147.043975830078 1107921.375 17.12
2761 148.275634765625 12212.5771484375 0.19
2762 165.054626464844 2178420.75 33.66
2763 171.065704345703 10540.208984375 0.16
2764 182.080993652344 193054.875 2.98
2765 203.00358581543 10252.1640625 0.16
2766
2767 RECORD_TITLE: MZ:182.081 | RT:70.5 | grpid:114 | file:1
2768 MS$FOCUSED_ION: PRECURSOR_M/Z 182.081024169922
2769 AC$CHROMATOGRAPHY: RETENTION_TIME 70.461672
2770 XCMS groupid (grpid): 114
2771 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
2772 PK$NUM_PEAK: 13
2773 PK$PEAK: m/z int. rel.int.
2774 113.060180664062 9484.7177734375 3.56
2775 124.075897216797 266098.90625 100
2776 124.999954223633 104344.8125 39.21
2777 127.17204284668 2726.818359375 1.02
2778 131.070602416992 2691.93481445312 1.01
2779 136.075561523438 9353.2470703125 3.51
2780 138.08171081543 4718.5654296875 1.77
2781 142.086120605469 23398.38671875 8.79
2782 156.101470947266 3076.6025390625 1.16
2783 166.086441040039 27530.96875 10.35
2784 167.060256958008 2652.03051757812 1
2785 184.073364257812 148342.21875 55.75
2786 184.096908569336 155832.015625 58.56
2787
2788 RECORD_TITLE: MZ:182.081 | RT:70.5 | grpid:114 | file:1
2789 MS$FOCUSED_ION: PRECURSOR_M/Z 182.081024169922
2790 AC$CHROMATOGRAPHY: RETENTION_TIME 70.461672
2791 XCMS groupid (grpid): 114
2792 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
2793 PK$NUM_PEAK: 13
2794 PK$PEAK: m/z int. rel.int.
2795 113.060180664062 9484.7177734375 3.56
2796 124.075897216797 266098.90625 100
2797 124.999954223633 104344.8125 39.21
2798 127.17204284668 2726.818359375 1.02
2799 131.070602416992 2691.93481445312 1.01
2800 136.075561523438 9353.2470703125 3.51
2801 138.08171081543 4718.5654296875 1.77
2802 142.086120605469 23398.38671875 8.79
2803 156.101470947266 3076.6025390625 1.16
2804 166.086441040039 27530.96875 10.35
2805 167.060256958008 2652.03051757812 1
2806 184.073364257812 148342.21875 55.75
2807 184.096908569336 155832.015625 58.56
2808
2809 RECORD_TITLE: MZ:182.081 | RT:70.6 | grpid:114 | file:2
2810 MS$FOCUSED_ION: PRECURSOR_M/Z 182.081039428711
2811 AC$CHROMATOGRAPHY: RETENTION_TIME 70.627524
2812 XCMS groupid (grpid): 114
2813 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
2814 PK$NUM_PEAK: 15
2815 PK$PEAK: m/z int. rel.int.
2816 103.054618835449 198073.015625 1.2
2817 107.049377441406 148026.125 0.9
2818 108.081100463867 17804.21484375 0.11
2819 109.065116882324 139673.46875 0.85
2820 118.065338134766 168543.90625 1.02
2821 119.049339294434 5599575.5 34
2822 121.064888000488 195145.625 1.18
2823 123.044204711914 7696469 46.73
2824 136.075637817383 16471685 100
2825 137.059722900391 100486.8125 0.61
2826 141.053939819336 10540.8369140625 0.06
2827 147.0439453125 2737939.75 16.62
2828 164.070251464844 15925.1796875 0.1
2829 165.054565429688 5599976 34
2830 182.081069946289 506954.8125 3.08
2831
2832 RECORD_TITLE: MZ:182.081 | RT:70.6 | grpid:114 | file:2
2833 MS$FOCUSED_ION: PRECURSOR_M/Z 182.081039428711
2834 AC$CHROMATOGRAPHY: RETENTION_TIME 70.627524
2835 XCMS groupid (grpid): 114
2836 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
2837 PK$NUM_PEAK: 15
2838 PK$PEAK: m/z int. rel.int.
2839 103.054618835449 198073.015625 1.2
2840 107.049377441406 148026.125 0.9
2841 108.081100463867 17804.21484375 0.11
2842 109.065116882324 139673.46875 0.85
2843 118.065338134766 168543.90625 1.02
2844 119.049339294434 5599575.5 34
2845 121.064888000488 195145.625 1.18
2846 123.044204711914 7696469 46.73
2847 136.075637817383 16471685 100
2848 137.059722900391 100486.8125 0.61
2849 141.053939819336 10540.8369140625 0.06
2850 147.0439453125 2737939.75 16.62
2851 164.070251464844 15925.1796875 0.1
2852 165.054565429688 5599976 34
2853 182.081069946289 506954.8125 3.08
2854
2855 RECORD_TITLE: MZ:182.081 | RT:70.6 | grpid:114 | file:2
2856 MS$FOCUSED_ION: PRECURSOR_M/Z 182.080963134766
2857 AC$CHROMATOGRAPHY: RETENTION_TIME 70.627524
2858 XCMS groupid (grpid): 114
2859 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
2860 PK$NUM_PEAK: 15
2861 PK$PEAK: m/z int. rel.int.
2862 103.054634094238 77368.390625 1.14
2863 107.049468994141 44136.1640625 0.65
2864 109.065040588379 64803.7421875 0.95
2865 116.225982666016 10581.9248046875 0.16
2866 118.065147399902 60138.7265625 0.88
2867 119.049385070801 2422319.75 35.56
2868 121.064971923828 79301.5703125 1.16
2869 123.04426574707 3350855.25 49.19
2870 136.075714111328 6812675 100
2871 137.059661865234 40871.0546875 0.6
2872 147.044021606445 1221085.5 17.92
2873 164.658981323242 10550.29296875 0.15
2874 165.054611206055 2230434.5 32.74
2875 182.0810546875 217155.296875 3.19
2876 186.324645996094 11166.697265625 0.16
2877
2878 RECORD_TITLE: MZ:182.081 | RT:70.6 | grpid:114 | file:2
2879 MS$FOCUSED_ION: PRECURSOR_M/Z 182.080963134766
2880 AC$CHROMATOGRAPHY: RETENTION_TIME 70.627524
2881 XCMS groupid (grpid): 114
2882 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
2883 PK$NUM_PEAK: 15
2884 PK$PEAK: m/z int. rel.int.
2885 103.054634094238 77368.390625 1.14
2886 107.049468994141 44136.1640625 0.65
2887 109.065040588379 64803.7421875 0.95
2888 116.225982666016 10581.9248046875 0.16
2889 118.065147399902 60138.7265625 0.88
2890 119.049385070801 2422319.75 35.56
2891 121.064971923828 79301.5703125 1.16
2892 123.04426574707 3350855.25 49.19
2893 136.075714111328 6812675 100
2894 137.059661865234 40871.0546875 0.6
2895 147.044021606445 1221085.5 17.92
2896 164.658981323242 10550.29296875 0.15
2897 165.054611206055 2230434.5 32.74
2898 182.0810546875 217155.296875 3.19
2899 186.324645996094 11166.697265625 0.16
2900
2901 RECORD_TITLE: MZ:182.081 | RT:70.6 | grpid:114 | file:2
2902 MS$FOCUSED_ION: PRECURSOR_M/Z 182.081008911133
2903 AC$CHROMATOGRAPHY: RETENTION_TIME 70.627524
2904 XCMS groupid (grpid): 114
2905 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
2906 PK$NUM_PEAK: 23
2907 PK$PEAK: m/z int. rel.int.
2908 104.10750579834 3364.56030273438 1.07
2909 112.075828552246 2400.29663085938 0.77
2910 113.059982299805 16064.193359375 5.13
2911 119.049766540527 2463.91186523438 0.79
2912 121.054534912109 3126.29736328125 1
2913 123.043594360352 2909.40307617188 0.93
2914 124.075897216797 313413.96875 100
2915 125.000045776367 104895.03125 33.47
2916 125.049911499023 5278.5419921875 1.68
2917 131.070434570312 5383.4892578125 1.72
2918 136.075988769531 14331.283203125 4.57
2919 138.081314086914 10983.623046875 3.5
2920 142.086334228516 31141.51171875 9.94
2921 149.050857543945 2868.37182617188 0.92
2922 149.879318237305 3004.58251953125 0.96
2923 151.583862304688 2372.27661132812 0.76
2924 166.086273193359 36714.74609375 11.71
2925 167.059677124023 5475.73046875 1.75
2926 184.049468994141 3548.56176757812 1.13
2927 184.073394775391 177200 56.54
2928 184.097015380859 185418.65625 59.16
2929 184.132873535156 5425.24560546875 1.73
2930 187.940414428711 2508.79296875 0.8
2931
2932 RECORD_TITLE: MZ:182.081 | RT:70.6 | grpid:114 | file:2
2933 MS$FOCUSED_ION: PRECURSOR_M/Z 182.081008911133
2934 AC$CHROMATOGRAPHY: RETENTION_TIME 70.627524
2935 XCMS groupid (grpid): 114
2936 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
2937 PK$NUM_PEAK: 23
2938 PK$PEAK: m/z int. rel.int.
2939 104.10750579834 3364.56030273438 1.07
2940 112.075828552246 2400.29663085938 0.77
2941 113.059982299805 16064.193359375 5.13
2942 119.049766540527 2463.91186523438 0.79
2943 121.054534912109 3126.29736328125 1
2944 123.043594360352 2909.40307617188 0.93
2945 124.075897216797 313413.96875 100
2946 125.000045776367 104895.03125 33.47
2947 125.049911499023 5278.5419921875 1.68
2948 131.070434570312 5383.4892578125 1.72
2949 136.075988769531 14331.283203125 4.57
2950 138.081314086914 10983.623046875 3.5
2951 142.086334228516 31141.51171875 9.94
2952 149.050857543945 2868.37182617188 0.92
2953 149.879318237305 3004.58251953125 0.96
2954 151.583862304688 2372.27661132812 0.76
2955 166.086273193359 36714.74609375 11.71
2956 167.059677124023 5475.73046875 1.75
2957 184.049468994141 3548.56176757812 1.13
2958 184.073394775391 177200 56.54
2959 184.097015380859 185418.65625 59.16
2960 184.132873535156 5425.24560546875 1.73
2961 187.940414428711 2508.79296875 0.8
2962
2963 RECORD_TITLE: MZ:189.1232 | RT:49.2 | grpid:127 | file:1
2964 MS$FOCUSED_ION: PRECURSOR_M/Z 189.123199462891
2965 AC$CHROMATOGRAPHY: RETENTION_TIME 49.182402
2966 XCMS groupid (grpid): 127
2967 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
2968 PK$NUM_PEAK: 11
2969 PK$PEAK: m/z int. rel.int.
2970 115.086784362793 8240.8359375 2.82
2971 116.070785522461 66374.9765625 22.72
2972 118.086532592773 292157.0625 100
2973 130.086364746094 7183.04931640625 2.46
2974 143.118041992188 74548.171875 25.52
2975 144.112991333008 34779.625 11.9
2976 158.09309387207 4647.126953125 1.59
2977 172.108306884766 6683.4912109375 2.29
2978 183.845306396484 3709.67822265625 1.27
2979 189.123382568359 82376.6484375 28.2
2980 189.135848999023 52375.484375 17.93
2981
2982 RECORD_TITLE: MZ:189.1232 | RT:49.2 | grpid:127 | file:1
2983 MS$FOCUSED_ION: PRECURSOR_M/Z 189.123199462891
2984 AC$CHROMATOGRAPHY: RETENTION_TIME 49.182402
2985 XCMS groupid (grpid): 127
2986 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
2987 PK$NUM_PEAK: 11
2988 PK$PEAK: m/z int. rel.int.
2989 115.086784362793 8240.8359375 2.82
2990 116.070785522461 66374.9765625 22.72
2991 118.086532592773 292157.0625 100
2992 130.086364746094 7183.04931640625 2.46
2993 143.118041992188 74548.171875 25.52
2994 144.112991333008 34779.625 11.9
2995 158.09309387207 4647.126953125 1.59
2996 172.108306884766 6683.4912109375 2.29
2997 183.845306396484 3709.67822265625 1.27
2998 189.123382568359 82376.6484375 28.2
2999 189.135848999023 52375.484375 17.93
3000
3001 RECORD_TITLE: MZ:189.1232 | RT:50.1 | grpid:127 | file:2
3002 MS$FOCUSED_ION: PRECURSOR_M/Z 189.12321472168
3003 AC$CHROMATOGRAPHY: RETENTION_TIME 50.0837946
3004 XCMS groupid (grpid): 127
3005 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
3006 PK$NUM_PEAK: 14
3007 PK$PEAK: m/z int. rel.int.
3008 115.08699798584 16498.677734375 14.45
3009 116.070922851562 114139.1640625 100
3010 118.086608886719 16398.6328125 14.37
3011 129.102462768555 14589.509765625 12.78
3012 130.086517333984 25180.728515625 22.06
3013 133.097732543945 11934.60546875 10.46
3014 143.117904663086 10899.03515625 9.55
3015 144.113189697266 43067.1015625 37.73
3016 158.092788696289 16470.595703125 14.43
3017 172.108413696289 12440.703125 10.9
3018 189.122100830078 29789.7734375 26.1
3019 189.136917114258 98533.8515625 86.33
3020 189.159866333008 3757.07299804688 3.29
3021 207.453216552734 2729.31713867188 2.39
3022
3023 RECORD_TITLE: MZ:189.1232 | RT:50.1 | grpid:127 | file:2
3024 MS$FOCUSED_ION: PRECURSOR_M/Z 189.12321472168
3025 AC$CHROMATOGRAPHY: RETENTION_TIME 50.0837946
3026 XCMS groupid (grpid): 127
3027 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
3028 PK$NUM_PEAK: 14
3029 PK$PEAK: m/z int. rel.int.
3030 115.08699798584 16498.677734375 14.45
3031 116.070922851562 114139.1640625 100
3032 118.086608886719 16398.6328125 14.37
3033 129.102462768555 14589.509765625 12.78
3034 130.086517333984 25180.728515625 22.06
3035 133.097732543945 11934.60546875 10.46
3036 143.117904663086 10899.03515625 9.55
3037 144.113189697266 43067.1015625 37.73
3038 158.092788696289 16470.595703125 14.43
3039 172.108413696289 12440.703125 10.9
3040 189.122100830078 29789.7734375 26.1
3041 189.136917114258 98533.8515625 86.33
3042 189.159866333008 3757.07299804688 3.29
3043 207.453216552734 2729.31713867188 2.39
3044
3045 RECORD_TITLE: MZ:191.0402 | RT:41.7 | grpid:131 | file:1
3046 MS$FOCUSED_ION: PRECURSOR_M/Z 191.040237426758
3047 AC$CHROMATOGRAPHY: RETENTION_TIME 41.6846646
3048 XCMS groupid (grpid): 131
3049 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
3050 PK$NUM_PEAK: 13
3051 PK$PEAK: m/z int. rel.int.
3052 120.065925598145 23138.59765625 3.5
3053 128.386154174805 2485.62475585938 0.38
3054 129.069854736328 2920.63305664062 0.44
3055 131.086135864258 2316.15380859375 0.35
3056 134.911239624023 3118.84326171875 0.47
3057 134.996658325195 5442.49462890625 0.82
3058 139.740753173828 2229.943359375 0.34
3059 158.893478393555 2400.29345703125 0.36
3060 173.015426635742 5461.96044921875 0.83
3061 173.029724121094 91503.421875 13.85
3062 191.040328979492 525871.3125 79.61
3063 191.076614379883 660586.1875 100
3064 192.024291992188 2978.47924804688 0.45
3065
3066 RECORD_TITLE: MZ:191.0402 | RT:41.7 | grpid:131 | file:1
3067 MS$FOCUSED_ION: PRECURSOR_M/Z 191.040237426758
3068 AC$CHROMATOGRAPHY: RETENTION_TIME 41.6846646
3069 XCMS groupid (grpid): 131
3070 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
3071 PK$NUM_PEAK: 13
3072 PK$PEAK: m/z int. rel.int.
3073 120.065925598145 23138.59765625 3.5
3074 128.386154174805 2485.62475585938 0.38
3075 129.069854736328 2920.63305664062 0.44
3076 131.086135864258 2316.15380859375 0.35
3077 134.911239624023 3118.84326171875 0.47
3078 134.996658325195 5442.49462890625 0.82
3079 139.740753173828 2229.943359375 0.34
3080 158.893478393555 2400.29345703125 0.36
3081 173.015426635742 5461.96044921875 0.83
3082 173.029724121094 91503.421875 13.85
3083 191.040328979492 525871.3125 79.61
3084 191.076614379883 660586.1875 100
3085 192.024291992188 2978.47924804688 0.45
3086
3087 RECORD_TITLE: MZ:191.0402 | RT:41.7 | grpid:131 | file:1
3088 MS$FOCUSED_ION: PRECURSOR_M/Z 191.040237426758
3089 AC$CHROMATOGRAPHY: RETENTION_TIME 41.6846646
3090 XCMS groupid (grpid): 131
3091 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
3092 PK$NUM_PEAK: 10
3093 PK$PEAK: m/z int. rel.int.
3094 102.055480957031 2989.11010742188 0.46
3095 110.023178100586 4453.75390625 0.68
3096 116.986175537109 3633.86962890625 0.56
3097 120.065925598145 22140.388671875 3.4
3098 126.568000793457 2404.74658203125 0.37
3099 128.070831298828 4361.34326171875 0.67
3100 156.448364257812 2624.12231445312 0.4
3101 173.029830932617 100052.8125 15.37
3102 191.040267944336 584111.625 89.74
3103 191.076553344727 650886.125 100
3104
3105 RECORD_TITLE: MZ:191.0402 | RT:41.7 | grpid:131 | file:1
3106 MS$FOCUSED_ION: PRECURSOR_M/Z 191.040237426758
3107 AC$CHROMATOGRAPHY: RETENTION_TIME 41.6846646
3108 XCMS groupid (grpid): 131
3109 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
3110 PK$NUM_PEAK: 10
3111 PK$PEAK: m/z int. rel.int.
3112 102.055480957031 2989.11010742188 0.46
3113 110.023178100586 4453.75390625 0.68
3114 116.986175537109 3633.86962890625 0.56
3115 120.065925598145 22140.388671875 3.4
3116 126.568000793457 2404.74658203125 0.37
3117 128.070831298828 4361.34326171875 0.67
3118 156.448364257812 2624.12231445312 0.4
3119 173.029830932617 100052.8125 15.37
3120 191.040267944336 584111.625 89.74
3121 191.076553344727 650886.125 100
3122
3123 RECORD_TITLE: MZ:191.0402 | RT:41.7 | grpid:131 | file:1
3124 MS$FOCUSED_ION: PRECURSOR_M/Z 191.040191650391
3125 AC$CHROMATOGRAPHY: RETENTION_TIME 41.6846646
3126 XCMS groupid (grpid): 131
3127 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
3128 PK$NUM_PEAK: 11
3129 PK$PEAK: m/z int. rel.int.
3130 102.055397033691 6061.30029296875 0.19
3131 111.853385925293 4386.8701171875 0.14
3132 115.874839782715 4441.072265625 0.14
3133 116.986557006836 4422.6650390625 0.14
3134 120.003273010254 7490.83056640625 0.23
3135 120.065788269043 36437.609375 1.13
3136 130.024032592773 6415.89990234375 0.2
3137 133.80451965332 5088.212890625 0.16
3138 173.029708862305 610622 18.98
3139 191.040267944336 3217774.75 100
3140 191.076446533203 999525 31.06
3141
3142 RECORD_TITLE: MZ:191.0402 | RT:41.7 | grpid:131 | file:1
3143 MS$FOCUSED_ION: PRECURSOR_M/Z 191.040191650391
3144 AC$CHROMATOGRAPHY: RETENTION_TIME 41.6846646
3145 XCMS groupid (grpid): 131
3146 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
3147 PK$NUM_PEAK: 11
3148 PK$PEAK: m/z int. rel.int.
3149 102.055397033691 6061.30029296875 0.19
3150 111.853385925293 4386.8701171875 0.14
3151 115.874839782715 4441.072265625 0.14
3152 116.986557006836 4422.6650390625 0.14
3153 120.003273010254 7490.83056640625 0.23
3154 120.065788269043 36437.609375 1.13
3155 130.024032592773 6415.89990234375 0.2
3156 133.80451965332 5088.212890625 0.16
3157 173.029708862305 610622 18.98
3158 191.040267944336 3217774.75 100
3159 191.076446533203 999525 31.06
3160
3161 RECORD_TITLE: MZ:192.0687 | RT:121.8 | grpid:134 | file:2
3162 MS$FOCUSED_ION: PRECURSOR_M/Z 192.06867980957
3163 AC$CHROMATOGRAPHY: RETENTION_TIME 121.840812
3164 XCMS groupid (grpid): 134
3165 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
3166 PK$NUM_PEAK: 9
3167 PK$PEAK: m/z int. rel.int.
3168 102.055397033691 3442.68041992188 4.92
3169 104.053359985352 70038.1953125 100
3170 133.031921386719 29066.0625 41.5
3171 144.065444946289 54286.5 77.51
3172 146.063888549805 4671.99365234375 6.67
3173 150.05842590332 24492.08984375 34.97
3174 171.473907470703 2700.43920898438 3.86
3175 181.562118530273 2402.322265625 3.43
3176 193.007995605469 2239.99389648438 3.2
3177
3178 RECORD_TITLE: MZ:192.0687 | RT:121.8 | grpid:134 | file:2
3179 MS$FOCUSED_ION: PRECURSOR_M/Z 192.06867980957
3180 AC$CHROMATOGRAPHY: RETENTION_TIME 121.840812
3181 XCMS groupid (grpid): 134
3182 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
3183 PK$NUM_PEAK: 9
3184 PK$PEAK: m/z int. rel.int.
3185 102.055397033691 3442.68041992188 4.92
3186 104.053359985352 70038.1953125 100
3187 133.031921386719 29066.0625 41.5
3188 144.065444946289 54286.5 77.51
3189 146.063888549805 4671.99365234375 6.67
3190 150.05842590332 24492.08984375 34.97
3191 171.473907470703 2700.43920898438 3.86
3192 181.562118530273 2402.322265625 3.43
3193 193.007995605469 2239.99389648438 3.2
3194
3195 RECORD_TITLE: MZ:194.0325 | RT:45.4 | grpid:136 | file:1
3196 MS$FOCUSED_ION: PRECURSOR_M/Z 194.032531738281
3197 AC$CHROMATOGRAPHY: RETENTION_TIME 45.3966672
3198 XCMS groupid (grpid): 136
3199 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
3200 PK$NUM_PEAK: 3
3201 PK$PEAK: m/z int. rel.int.
3202 103.315864562988 2078.95581054688 54.54
3203 158.081451416016 3618.328125 94.92
3204 194.032531738281 3812.11279296875 100
3205
3206 RECORD_TITLE: MZ:194.0325 | RT:45.4 | grpid:136 | file:1
3207 MS$FOCUSED_ION: PRECURSOR_M/Z 194.032531738281
3208 AC$CHROMATOGRAPHY: RETENTION_TIME 45.3966672
3209 XCMS groupid (grpid): 136
3210 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
3211 PK$NUM_PEAK: 3
3212 PK$PEAK: m/z int. rel.int.
3213 103.315864562988 2078.95581054688 54.54
3214 158.081451416016 3618.328125 94.92
3215 194.032531738281 3812.11279296875 100
3216
3217 RECORD_TITLE: MZ:194.0325 | RT:45.5 | grpid:136 | file:2
3218 MS$FOCUSED_ION: PRECURSOR_M/Z 194.032531738281
3219 AC$CHROMATOGRAPHY: RETENTION_TIME 45.5280288
3220 XCMS groupid (grpid): 136
3221 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
3222 PK$NUM_PEAK: 5
3223 PK$PEAK: m/z int. rel.int.
3224 125.504974365234 2372.77172851562 68.39
3225 141.887588500977 2384.751953125 68.73
3226 146.027267456055 2972.51196289062 85.68
3227 158.080490112305 2836.72119140625 81.76
3228 194.032562255859 3469.51000976562 100
3229
3230 RECORD_TITLE: MZ:194.0325 | RT:45.5 | grpid:136 | file:2
3231 MS$FOCUSED_ION: PRECURSOR_M/Z 194.032531738281
3232 AC$CHROMATOGRAPHY: RETENTION_TIME 45.5280288
3233 XCMS groupid (grpid): 136
3234 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
3235 PK$NUM_PEAK: 5
3236 PK$PEAK: m/z int. rel.int.
3237 125.504974365234 2372.77172851562 68.39
3238 141.887588500977 2384.751953125 68.73
3239 146.027267456055 2972.51196289062 85.68
3240 158.080490112305 2836.72119140625 81.76
3241 194.032562255859 3469.51000976562 100
3242
3243 RECORD_TITLE: MZ:200.0405 | RT:43.9 | grpid:143 | file:1
3244 MS$FOCUSED_ION: PRECURSOR_M/Z 200.040481567383
3245 AC$CHROMATOGRAPHY: RETENTION_TIME 43.9150368
3246 XCMS groupid (grpid): 143
3247 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
3248 PK$NUM_PEAK: 13
3249 PK$PEAK: m/z int. rel.int.
3250 117.042617797852 6342.0810546875 0.31
3251 117.987678527832 68211.828125 3.37
3252 127.032531738281 20582.015625 1.02
3253 132.053359985352 35976.1640625 1.77
3254 140.995040893555 30093.7421875 1.48
3255 142.598937988281 2839.74487304688 0.14
3256 146.361755371094 2998.41796875 0.15
3257 154.035003662109 13444.572265625 0.66
3258 155.018844604492 3944.63305664062 0.19
3259 182.029312133789 6210.8779296875 0.31
3260 183.013916015625 4510.1396484375 0.22
3261 200.040573120117 2027070.25 100
3262 207.421112060547 3210.24487304688 0.16
3263
3264 RECORD_TITLE: MZ:200.0405 | RT:43.9 | grpid:143 | file:1
3265 MS$FOCUSED_ION: PRECURSOR_M/Z 200.040481567383
3266 AC$CHROMATOGRAPHY: RETENTION_TIME 43.9150368
3267 XCMS groupid (grpid): 143
3268 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
3269 PK$NUM_PEAK: 13
3270 PK$PEAK: m/z int. rel.int.
3271 117.042617797852 6342.0810546875 0.31
3272 117.987678527832 68211.828125 3.37
3273 127.032531738281 20582.015625 1.02
3274 132.053359985352 35976.1640625 1.77
3275 140.995040893555 30093.7421875 1.48
3276 142.598937988281 2839.74487304688 0.14
3277 146.361755371094 2998.41796875 0.15
3278 154.035003662109 13444.572265625 0.66
3279 155.018844604492 3944.63305664062 0.19
3280 182.029312133789 6210.8779296875 0.31
3281 183.013916015625 4510.1396484375 0.22
3282 200.040573120117 2027070.25 100
3283 207.421112060547 3210.24487304688 0.16
3284
3285 RECORD_TITLE: MZ:200.0405 | RT:44.1 | grpid:143 | file:2
3286 MS$FOCUSED_ION: PRECURSOR_M/Z 200.040496826172
3287 AC$CHROMATOGRAPHY: RETENTION_TIME 44.0806488
3288 XCMS groupid (grpid): 143
3289 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
3290 PK$NUM_PEAK: 12
3291 PK$PEAK: m/z int. rel.int.
3292 112.010238647461 2995.43188476562 0.14
3293 117.042633056641 5056.5439453125 0.24
3294 117.987663269043 71179.4375 3.38
3295 123.095741271973 2928.32397460938 0.14
3296 127.032501220703 4841.11767578125 0.23
3297 132.053314208984 40222.88671875 1.91
3298 140.045013427734 2847.90087890625 0.14
3299 140.994918823242 43853.734375 2.08
3300 154.035140991211 12319.0732421875 0.58
3301 182.029663085938 4039.810546875 0.19
3302 183.013336181641 3542.32104492188 0.17
3303 200.040573120117 2105842.25 100
3304
3305 RECORD_TITLE: MZ:200.0405 | RT:44.1 | grpid:143 | file:2
3306 MS$FOCUSED_ION: PRECURSOR_M/Z 200.040496826172
3307 AC$CHROMATOGRAPHY: RETENTION_TIME 44.0806488
3308 XCMS groupid (grpid): 143
3309 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
3310 PK$NUM_PEAK: 12
3311 PK$PEAK: m/z int. rel.int.
3312 112.010238647461 2995.43188476562 0.14
3313 117.042633056641 5056.5439453125 0.24
3314 117.987663269043 71179.4375 3.38
3315 123.095741271973 2928.32397460938 0.14
3316 127.032501220703 4841.11767578125 0.23
3317 132.053314208984 40222.88671875 1.91
3318 140.045013427734 2847.90087890625 0.14
3319 140.994918823242 43853.734375 2.08
3320 154.035140991211 12319.0732421875 0.58
3321 182.029663085938 4039.810546875 0.19
3322 183.013336181641 3542.32104492188 0.17
3323 200.040573120117 2105842.25 100
3324
3325 RECORD_TITLE: MZ:203.1388 | RT:72 | grpid:150 | file:1
3326 MS$FOCUSED_ION: PRECURSOR_M/Z 203.138809204102
3327 AC$CHROMATOGRAPHY: RETENTION_TIME 72.006432
3328 XCMS groupid (grpid): 150
3329 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
3330 PK$NUM_PEAK: 9
3331 PK$PEAK: m/z int. rel.int.
3332 116.071075439453 28803.224609375 60.28
3333 119.019195556641 2770.42236328125 5.8
3334 125.07137298584 5385.11376953125 11.27
3335 138.387115478516 2774.31958007812 5.81
3336 157.134216308594 3315.12451171875 6.94
3337 158.128875732422 15111.2236328125 31.63
3338 161.096771240234 6781.66259765625 14.19
3339 203.139312744141 47779.91796875 100
3340 203.152862548828 19752.5390625 41.34
3341
3342 RECORD_TITLE: MZ:203.1388 | RT:72 | grpid:150 | file:1
3343 MS$FOCUSED_ION: PRECURSOR_M/Z 203.138809204102
3344 AC$CHROMATOGRAPHY: RETENTION_TIME 72.006432
3345 XCMS groupid (grpid): 150
3346 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
3347 PK$NUM_PEAK: 9
3348 PK$PEAK: m/z int. rel.int.
3349 116.071075439453 28803.224609375 60.28
3350 119.019195556641 2770.42236328125 5.8
3351 125.07137298584 5385.11376953125 11.27
3352 138.387115478516 2774.31958007812 5.81
3353 157.134216308594 3315.12451171875 6.94
3354 158.128875732422 15111.2236328125 31.63
3355 161.096771240234 6781.66259765625 14.19
3356 203.139312744141 47779.91796875 100
3357 203.152862548828 19752.5390625 41.34
3358
3359 RECORD_TITLE: MZ:203.1388 | RT:72 | grpid:150 | file:1
3360 MS$FOCUSED_ION: PRECURSOR_M/Z 203.13883972168
3361 AC$CHROMATOGRAPHY: RETENTION_TIME 72.006432
3362 XCMS groupid (grpid): 150
3363 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
3364 PK$NUM_PEAK: 11
3365 PK$PEAK: m/z int. rel.int.
3366 116.071235656738 12503.8623046875 3.04
3367 130.085556030273 6449.21875 1.57
3368 132.101974487305 411630.5 100
3369 140.106964111328 22111.2734375 5.37
3370 157.133712768555 99102.875 24.08
3371 170.445693969727 5899.7978515625 1.43
3372 185.7109375 6658.5439453125 1.62
3373 203.111068725586 10820.138671875 2.63
3374 203.120208740234 7331.47412109375 1.78
3375 203.138000488281 101691.2578125 24.7
3376 204.817932128906 6029.38134765625 1.46
3377
3378 RECORD_TITLE: MZ:203.1388 | RT:72 | grpid:150 | file:1
3379 MS$FOCUSED_ION: PRECURSOR_M/Z 203.13883972168
3380 AC$CHROMATOGRAPHY: RETENTION_TIME 72.006432
3381 XCMS groupid (grpid): 150
3382 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
3383 PK$NUM_PEAK: 11
3384 PK$PEAK: m/z int. rel.int.
3385 116.071235656738 12503.8623046875 3.04
3386 130.085556030273 6449.21875 1.57
3387 132.101974487305 411630.5 100
3388 140.106964111328 22111.2734375 5.37
3389 157.133712768555 99102.875 24.08
3390 170.445693969727 5899.7978515625 1.43
3391 185.7109375 6658.5439453125 1.62
3392 203.111068725586 10820.138671875 2.63
3393 203.120208740234 7331.47412109375 1.78
3394 203.138000488281 101691.2578125 24.7
3395 204.817932128906 6029.38134765625 1.46
3396
3397 RECORD_TITLE: MZ:203.1389 | RT:72.2 | grpid:150 | file:2
3398 MS$FOCUSED_ION: PRECURSOR_M/Z 203.138854980469
3399 AC$CHROMATOGRAPHY: RETENTION_TIME 72.171048
3400 XCMS groupid (grpid): 150
3401 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
3402 PK$NUM_PEAK: 9
3403 PK$PEAK: m/z int. rel.int.
3404 116.071044921875 37608.42578125 75.04
3405 125.071907043457 3196.5478515625 6.38
3406 133.09797668457 4579.9912109375 9.14
3407 157.133407592773 3082.34008789062 6.15
3408 158.128295898438 11883.36328125 23.71
3409 161.095993041992 11680.013671875 23.31
3410 203.105590820312 6029.6064453125 12.03
3411 203.135681152344 50118 100
3412 203.152633666992 15789.306640625 31.5
3413
3414 RECORD_TITLE: MZ:203.1389 | RT:72.2 | grpid:150 | file:2
3415 MS$FOCUSED_ION: PRECURSOR_M/Z 203.138854980469
3416 AC$CHROMATOGRAPHY: RETENTION_TIME 72.171048
3417 XCMS groupid (grpid): 150
3418 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
3419 PK$NUM_PEAK: 9
3420 PK$PEAK: m/z int. rel.int.
3421 116.071044921875 37608.42578125 75.04
3422 125.071907043457 3196.5478515625 6.38
3423 133.09797668457 4579.9912109375 9.14
3424 157.133407592773 3082.34008789062 6.15
3425 158.128295898438 11883.36328125 23.71
3426 161.095993041992 11680.013671875 23.31
3427 203.105590820312 6029.6064453125 12.03
3428 203.135681152344 50118 100
3429 203.152633666992 15789.306640625 31.5
3430
3431 RECORD_TITLE: MZ:203.1388 | RT:72.2 | grpid:150 | file:2
3432 MS$FOCUSED_ION: PRECURSOR_M/Z 203.138793945312
3433 AC$CHROMATOGRAPHY: RETENTION_TIME 72.171048
3434 XCMS groupid (grpid): 150
3435 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
3436 PK$NUM_PEAK: 10
3437 PK$PEAK: m/z int. rel.int.
3438 110.816787719727 6078.2109375 1.77
3439 110.913383483887 5809.0341796875 1.69
3440 116.07071685791 9309.0751953125 2.71
3441 132.101974487305 343618 100
3442 140.107208251953 25047.279296875 7.29
3443 157.133499145508 110757.7578125 32.23
3444 161.096633911133 10988.53515625 3.2
3445 203.110626220703 8525.052734375 2.48
3446 203.137939453125 117729.3359375 34.26
3447 211.507141113281 6815.84912109375 1.98
3448
3449 RECORD_TITLE: MZ:203.1388 | RT:72.2 | grpid:150 | file:2
3450 MS$FOCUSED_ION: PRECURSOR_M/Z 203.138793945312
3451 AC$CHROMATOGRAPHY: RETENTION_TIME 72.171048
3452 XCMS groupid (grpid): 150
3453 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
3454 PK$NUM_PEAK: 10
3455 PK$PEAK: m/z int. rel.int.
3456 110.816787719727 6078.2109375 1.77
3457 110.913383483887 5809.0341796875 1.69
3458 116.07071685791 9309.0751953125 2.71
3459 132.101974487305 343618 100
3460 140.107208251953 25047.279296875 7.29
3461 157.133499145508 110757.7578125 32.23
3462 161.096633911133 10988.53515625 3.2
3463 203.110626220703 8525.052734375 2.48
3464 203.137939453125 117729.3359375 34.26
3465 211.507141113281 6815.84912109375 1.98
3466
3467 RECORD_TITLE: MZ:203.1389 | RT:72.2 | grpid:150 | file:2
3468 MS$FOCUSED_ION: PRECURSOR_M/Z 203.138854980469
3469 AC$CHROMATOGRAPHY: RETENTION_TIME 72.171048
3470 XCMS groupid (grpid): 150
3471 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
3472 PK$NUM_PEAK: 9
3473 PK$PEAK: m/z int. rel.int.
3474 103.739540100098 2113.5478515625 3.41
3475 116.07096862793 14099.0009765625 22.78
3476 119.018844604492 3672.51025390625 5.93
3477 132.102035522461 61903.03125 100
3478 157.133651733398 13804.431640625 22.3
3479 161.095993041992 5141.3759765625 8.31
3480 172.99494934082 2935.828125 4.74
3481 203.152069091797 2885.97534179688 4.66
3482 203.184020996094 3411.0810546875 5.51
3483
3484 RECORD_TITLE: MZ:203.1389 | RT:72.2 | grpid:150 | file:2
3485 MS$FOCUSED_ION: PRECURSOR_M/Z 203.138854980469
3486 AC$CHROMATOGRAPHY: RETENTION_TIME 72.171048
3487 XCMS groupid (grpid): 150
3488 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
3489 PK$NUM_PEAK: 9
3490 PK$PEAK: m/z int. rel.int.
3491 103.739540100098 2113.5478515625 3.41
3492 116.07096862793 14099.0009765625 22.78
3493 119.018844604492 3672.51025390625 5.93
3494 132.102035522461 61903.03125 100
3495 157.133651733398 13804.431640625 22.3
3496 161.095993041992 5141.3759765625 8.31
3497 172.99494934082 2935.828125 4.74
3498 203.152069091797 2885.97534179688 4.66
3499 203.184020996094 3411.0810546875 5.51
3500
3501 RECORD_TITLE: MZ:204.1228 | RT:56.8 | grpid:152 | file:1
3502 MS$FOCUSED_ION: PRECURSOR_M/Z 204.122802734375
3503 AC$CHROMATOGRAPHY: RETENTION_TIME 56.7980382
3504 XCMS groupid (grpid): 152
3505 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
3506 PK$NUM_PEAK: 18
3507 PK$PEAK: m/z int. rel.int.
3508 103.039390563965 2626.12426757812 0.95
3509 106.385429382324 2630.47265625 0.96
3510 109.029167175293 4650.36474609375 1.69
3511 114.055358886719 3802.81860351562 1.38
3512 116.070892333984 49017.65625 17.8
3513 117.067512512207 3875.06005859375 1.41
3514 117.074249267578 73425.046875 26.67
3515 126.055229187012 54120.14453125 19.66
3516 126.42317199707 2332.49584960938 0.85
3517 138.055023193359 77949.046875 28.31
3518 144.065963745117 31537.21484375 11.45
3519 144.101928710938 43630.27734375 15.85
3520 145.04963684082 107963.640625 39.21
3521 162.075897216797 3156.48168945312 1.15
3522 168.065872192383 5381.61962890625 1.95
3523 204.106567382812 15382.0947265625 5.59
3524 204.123031616211 275347.34375 100
3525 204.139114379883 14696.998046875 5.34
3526
3527 RECORD_TITLE: MZ:204.1228 | RT:56.8 | grpid:152 | file:1
3528 MS$FOCUSED_ION: PRECURSOR_M/Z 204.122802734375
3529 AC$CHROMATOGRAPHY: RETENTION_TIME 56.7980382
3530 XCMS groupid (grpid): 152
3531 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
3532 PK$NUM_PEAK: 18
3533 PK$PEAK: m/z int. rel.int.
3534 103.039390563965 2626.12426757812 0.95
3535 106.385429382324 2630.47265625 0.96
3536 109.029167175293 4650.36474609375 1.69
3537 114.055358886719 3802.81860351562 1.38
3538 116.070892333984 49017.65625 17.8
3539 117.067512512207 3875.06005859375 1.41
3540 117.074249267578 73425.046875 26.67
3541 126.055229187012 54120.14453125 19.66
3542 126.42317199707 2332.49584960938 0.85
3543 138.055023193359 77949.046875 28.31
3544 144.065963745117 31537.21484375 11.45
3545 144.101928710938 43630.27734375 15.85
3546 145.04963684082 107963.640625 39.21
3547 162.075897216797 3156.48168945312 1.15
3548 168.065872192383 5381.61962890625 1.95
3549 204.106567382812 15382.0947265625 5.59
3550 204.123031616211 275347.34375 100
3551 204.139114379883 14696.998046875 5.34
3552
3553 RECORD_TITLE: MZ:204.1228 | RT:56.8 | grpid:152 | file:1
3554 MS$FOCUSED_ION: PRECURSOR_M/Z 204.122817993164
3555 AC$CHROMATOGRAPHY: RETENTION_TIME 56.7980382
3556 XCMS groupid (grpid): 152
3557 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
3558 PK$NUM_PEAK: 14
3559 PK$PEAK: m/z int. rel.int.
3560 103.039367675781 21870.412109375 0.83
3561 109.028549194336 4337.9482421875 0.17
3562 116.070777893066 54983.8125 2.09
3563 116.368270874023 4259.67236328125 0.16
3564 117.066917419434 6714.4765625 0.26
3565 117.074279785156 79324.390625 3.02
3566 126.054985046387 55148.140625 2.1
3567 129.078247070312 30434.8671875 1.16
3568 138.0546875 57503.59765625 2.19
3569 144.065399169922 16610.201171875 0.63
3570 144.101837158203 389983.375 14.84
3571 145.049468994141 1150196 43.76
3572 186.09455871582 4524.0029296875 0.17
3573 204.122924804688 2628368.75 100
3574
3575 RECORD_TITLE: MZ:204.1228 | RT:56.8 | grpid:152 | file:1
3576 MS$FOCUSED_ION: PRECURSOR_M/Z 204.122817993164
3577 AC$CHROMATOGRAPHY: RETENTION_TIME 56.7980382
3578 XCMS groupid (grpid): 152
3579 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
3580 PK$NUM_PEAK: 14
3581 PK$PEAK: m/z int. rel.int.
3582 103.039367675781 21870.412109375 0.83
3583 109.028549194336 4337.9482421875 0.17
3584 116.070777893066 54983.8125 2.09
3585 116.368270874023 4259.67236328125 0.16
3586 117.066917419434 6714.4765625 0.26
3587 117.074279785156 79324.390625 3.02
3588 126.054985046387 55148.140625 2.1
3589 129.078247070312 30434.8671875 1.16
3590 138.0546875 57503.59765625 2.19
3591 144.065399169922 16610.201171875 0.63
3592 144.101837158203 389983.375 14.84
3593 145.049468994141 1150196 43.76
3594 186.09455871582 4524.0029296875 0.17
3595 204.122924804688 2628368.75 100
3596
3597 RECORD_TITLE: MZ:204.1228 | RT:56.8 | grpid:152 | file:1
3598 MS$FOCUSED_ION: PRECURSOR_M/Z 204.122848510742
3599 AC$CHROMATOGRAPHY: RETENTION_TIME 56.7980382
3600 XCMS groupid (grpid): 152
3601 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
3602 PK$NUM_PEAK: 11
3603 PK$PEAK: m/z int. rel.int.
3604 103.039352416992 4378.82373046875 0.71
3605 117.07398223877 3667.59252929688 0.59
3606 124.087196350098 21105.763671875 3.42
3607 126.054992675781 28587.548828125 4.63
3608 138.054794311523 49302.3515625 7.99
3609 144.065551757812 15536.2451171875 2.52
3610 144.101791381836 81904.890625 13.28
3611 145.049530029297 242301.34375 39.28
3612 156.445175170898 3308.63256835938 0.54
3613 162.076110839844 5740.85400390625 0.93
3614 204.122970581055 616905.6875 100
3615
3616 RECORD_TITLE: MZ:204.1228 | RT:56.8 | grpid:152 | file:1
3617 MS$FOCUSED_ION: PRECURSOR_M/Z 204.122848510742
3618 AC$CHROMATOGRAPHY: RETENTION_TIME 56.7980382
3619 XCMS groupid (grpid): 152
3620 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
3621 PK$NUM_PEAK: 11
3622 PK$PEAK: m/z int. rel.int.
3623 103.039352416992 4378.82373046875 0.71
3624 117.07398223877 3667.59252929688 0.59
3625 124.087196350098 21105.763671875 3.42
3626 126.054992675781 28587.548828125 4.63
3627 138.054794311523 49302.3515625 7.99
3628 144.065551757812 15536.2451171875 2.52
3629 144.101791381836 81904.890625 13.28
3630 145.049530029297 242301.34375 39.28
3631 156.445175170898 3308.63256835938 0.54
3632 162.076110839844 5740.85400390625 0.93
3633 204.122970581055 616905.6875 100
3634
3635 RECORD_TITLE: MZ:204.1228 | RT:56.9 | grpid:152 | file:2
3636 MS$FOCUSED_ION: PRECURSOR_M/Z 204.122817993164
3637 AC$CHROMATOGRAPHY: RETENTION_TIME 56.9384052
3638 XCMS groupid (grpid): 152
3639 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
3640 PK$NUM_PEAK: 11
3641 PK$PEAK: m/z int. rel.int.
3642 103.039604187012 44728.91015625 0.48
3643 103.384941101074 28550.306640625 0.31
3644 113.250282287598 26210.8046875 0.28
3645 117.074279785156 42779.11328125 0.46
3646 126.05517578125 106649.859375 1.14
3647 129.07829284668 98631.4765625 1.06
3648 144.090408325195 25124.802734375 0.27
3649 144.101928710938 1344056.125 14.39
3650 145.049514770508 4096653.75 43.86
3651 173.963897705078 26845.693359375 0.29
3652 204.123001098633 9339472 100
3653
3654 RECORD_TITLE: MZ:204.1228 | RT:56.9 | grpid:152 | file:2
3655 MS$FOCUSED_ION: PRECURSOR_M/Z 204.122817993164
3656 AC$CHROMATOGRAPHY: RETENTION_TIME 56.9384052
3657 XCMS groupid (grpid): 152
3658 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
3659 PK$NUM_PEAK: 11
3660 PK$PEAK: m/z int. rel.int.
3661 103.039604187012 44728.91015625 0.48
3662 103.384941101074 28550.306640625 0.31
3663 113.250282287598 26210.8046875 0.28
3664 117.074279785156 42779.11328125 0.46
3665 126.05517578125 106649.859375 1.14
3666 129.07829284668 98631.4765625 1.06
3667 144.090408325195 25124.802734375 0.27
3668 144.101928710938 1344056.125 14.39
3669 145.049514770508 4096653.75 43.86
3670 173.963897705078 26845.693359375 0.29
3671 204.123001098633 9339472 100
3672
3673 RECORD_TITLE: MZ:204.1229 | RT:56.9 | grpid:152 | file:2
3674 MS$FOCUSED_ION: PRECURSOR_M/Z 204.122863769531
3675 AC$CHROMATOGRAPHY: RETENTION_TIME 56.9384052
3676 XCMS groupid (grpid): 152
3677 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
3678 PK$NUM_PEAK: 17
3679 PK$PEAK: m/z int. rel.int.
3680 101.024070739746 2549.65844726562 1.04
3681 109.028610229492 9569.9111328125 3.9
3682 110.023971557617 2709.85107421875 1.1
3683 124.08716583252 16795.25390625 6.85
3684 125.880447387695 2691.83837890625 1.1
3685 126.055145263672 66347.6875 27.04
3686 127.039108276367 3200.34375 1.3
3687 138.054977416992 177051.46875 72.16
3688 144.065414428711 56831.3046875 23.16
3689 144.101654052734 37562.9140625 15.31
3690 145.037979125977 4413.583984375 1.8
3691 145.049453735352 117891.3359375 48.05
3692 145.060363769531 5262.61083984375 2.14
3693 168.065170288086 16167.7177734375 6.59
3694 186.075775146484 5275.0185546875 2.15
3695 186.56770324707 2513.05346679688 1.02
3696 204.122970581055 245349.390625 100
3697
3698 RECORD_TITLE: MZ:204.1229 | RT:56.9 | grpid:152 | file:2
3699 MS$FOCUSED_ION: PRECURSOR_M/Z 204.122863769531
3700 AC$CHROMATOGRAPHY: RETENTION_TIME 56.9384052
3701 XCMS groupid (grpid): 152
3702 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
3703 PK$NUM_PEAK: 17
3704 PK$PEAK: m/z int. rel.int.
3705 101.024070739746 2549.65844726562 1.04
3706 109.028610229492 9569.9111328125 3.9
3707 110.023971557617 2709.85107421875 1.1
3708 124.08716583252 16795.25390625 6.85
3709 125.880447387695 2691.83837890625 1.1
3710 126.055145263672 66347.6875 27.04
3711 127.039108276367 3200.34375 1.3
3712 138.054977416992 177051.46875 72.16
3713 144.065414428711 56831.3046875 23.16
3714 144.101654052734 37562.9140625 15.31
3715 145.037979125977 4413.583984375 1.8
3716 145.049453735352 117891.3359375 48.05
3717 145.060363769531 5262.61083984375 2.14
3718 168.065170288086 16167.7177734375 6.59
3719 186.075775146484 5275.0185546875 2.15
3720 186.56770324707 2513.05346679688 1.02
3721 204.122970581055 245349.390625 100
3722
3723 RECORD_TITLE: MZ:207.0141 | RT:41.8 | grpid:158 | file:2
3724 MS$FOCUSED_ION: PRECURSOR_M/Z 207.014144897461
3725 AC$CHROMATOGRAPHY: RETENTION_TIME 41.826645
3726 XCMS groupid (grpid): 158
3727 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
3728 PK$NUM_PEAK: 19
3729 PK$PEAK: m/z int. rel.int.
3730 102.055213928223 14664.9248046875 10.68
3731 104.992233276367 2625.12451171875 1.91
3732 120.00316619873 3167.53002929688 2.31
3733 120.065727233887 39810.953125 28.98
3734 125.714157104492 2278.95581054688 1.66
3735 125.770439147949 2413.32568359375 1.76
3736 130.049896240234 9405.2138671875 6.85
3737 145.133407592773 2169.822265625 1.58
3738 146.981994628906 18833.076171875 13.71
3739 147.985076904297 12737.52734375 9.27
3740 149.018768310547 3681.16088867188 2.68
3741 169.94026184082 2372.8515625 1.73
3742 177.024551391602 9060.5927734375 6.6
3743 189.087188720703 11364.271484375 8.27
3744 207.014282226562 137352.125 100
3745 207.034118652344 5699.5263671875 4.15
3746 207.052230834961 15843.6455078125 11.54
3747 207.098617553711 2919.48852539062 2.13
3748 207.174377441406 3961.92211914062 2.88
3749
3750 RECORD_TITLE: MZ:207.0141 | RT:41.8 | grpid:158 | file:2
3751 MS$FOCUSED_ION: PRECURSOR_M/Z 207.014144897461
3752 AC$CHROMATOGRAPHY: RETENTION_TIME 41.826645
3753 XCMS groupid (grpid): 158
3754 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
3755 PK$NUM_PEAK: 19
3756 PK$PEAK: m/z int. rel.int.
3757 102.055213928223 14664.9248046875 10.68
3758 104.992233276367 2625.12451171875 1.91
3759 120.00316619873 3167.53002929688 2.31
3760 120.065727233887 39810.953125 28.98
3761 125.714157104492 2278.95581054688 1.66
3762 125.770439147949 2413.32568359375 1.76
3763 130.049896240234 9405.2138671875 6.85
3764 145.133407592773 2169.822265625 1.58
3765 146.981994628906 18833.076171875 13.71
3766 147.985076904297 12737.52734375 9.27
3767 149.018768310547 3681.16088867188 2.68
3768 169.94026184082 2372.8515625 1.73
3769 177.024551391602 9060.5927734375 6.6
3770 189.087188720703 11364.271484375 8.27
3771 207.014282226562 137352.125 100
3772 207.034118652344 5699.5263671875 4.15
3773 207.052230834961 15843.6455078125 11.54
3774 207.098617553711 2919.48852539062 2.13
3775 207.174377441406 3961.92211914062 2.88
3776
3777 RECORD_TITLE: MZ:214.0642 | RT:55.4 | grpid:172 | file:2
3778 MS$FOCUSED_ION: PRECURSOR_M/Z 214.064239501953
3779 AC$CHROMATOGRAPHY: RETENTION_TIME 55.4140188
3780 XCMS groupid (grpid): 172
3781 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
3782 PK$NUM_PEAK: 14
3783 PK$PEAK: m/z int. rel.int.
3784 100.022003173828 18210.814453125 0.48
3785 112.021865844727 105520.359375 2.8
3786 112.029098510742 4534.3564453125 0.12
3787 127.032608032227 3771385.25 100
3788 129.048873901367 9994.1298828125 0.26
3789 137.094848632812 40517.13671875 1.07
3790 139.032440185547 14027.0390625 0.37
3791 141.000549316406 32761.166015625 0.87
3792 141.048263549805 10484.16796875 0.28
3793 158.02702331543 16497.7265625 0.44
3794 170.074661254883 55442.0390625 1.47
3795 197.064270019531 5371.8564453125 0.14
3796 197.093124389648 3679.029296875 0.1
3797 214.064468383789 307880.84375 8.16
3798
3799 RECORD_TITLE: MZ:214.0642 | RT:55.4 | grpid:172 | file:2
3800 MS$FOCUSED_ION: PRECURSOR_M/Z 214.064239501953
3801 AC$CHROMATOGRAPHY: RETENTION_TIME 55.4140188
3802 XCMS groupid (grpid): 172
3803 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
3804 PK$NUM_PEAK: 14
3805 PK$PEAK: m/z int. rel.int.
3806 100.022003173828 18210.814453125 0.48
3807 112.021865844727 105520.359375 2.8
3808 112.029098510742 4534.3564453125 0.12
3809 127.032608032227 3771385.25 100
3810 129.048873901367 9994.1298828125 0.26
3811 137.094848632812 40517.13671875 1.07
3812 139.032440185547 14027.0390625 0.37
3813 141.000549316406 32761.166015625 0.87
3814 141.048263549805 10484.16796875 0.28
3815 158.02702331543 16497.7265625 0.44
3816 170.074661254883 55442.0390625 1.47
3817 197.064270019531 5371.8564453125 0.14
3818 197.093124389648 3679.029296875 0.1
3819 214.064468383789 307880.84375 8.16
3820
3821 RECORD_TITLE: MZ:218.1385 | RT:89.6 | grpid:180 | file:1
3822 MS$FOCUSED_ION: PRECURSOR_M/Z 218.13850402832
3823 AC$CHROMATOGRAPHY: RETENTION_TIME 89.6403
3824 XCMS groupid (grpid): 180
3825 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
3826 PK$NUM_PEAK: 7
3827 PK$PEAK: m/z int. rel.int.
3828 114.196754455566 2545.52612304688 48.44
3829 115.673034667969 2175.73876953125 41.4
3830 129.055801391602 2261.02172851562 43.02
3831 132.102081298828 5255.5224609375 100
3832 159.066177368164 2765.712890625 52.62
3833 212.81819152832 2699.35546875 51.36
3834 218.139175415039 3092.53271484375 58.84
3835
3836 RECORD_TITLE: MZ:218.1385 | RT:89.6 | grpid:180 | file:1
3837 MS$FOCUSED_ION: PRECURSOR_M/Z 218.13850402832
3838 AC$CHROMATOGRAPHY: RETENTION_TIME 89.6403
3839 XCMS groupid (grpid): 180
3840 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
3841 PK$NUM_PEAK: 7
3842 PK$PEAK: m/z int. rel.int.
3843 114.196754455566 2545.52612304688 48.44
3844 115.673034667969 2175.73876953125 41.4
3845 129.055801391602 2261.02172851562 43.02
3846 132.102081298828 5255.5224609375 100
3847 159.066177368164 2765.712890625 52.62
3848 212.81819152832 2699.35546875 51.36
3849 218.139175415039 3092.53271484375 58.84
3850
3851 RECORD_TITLE: MZ:218.1385 | RT:89.6 | grpid:180 | file:1
3852 MS$FOCUSED_ION: PRECURSOR_M/Z 218.138473510742
3853 AC$CHROMATOGRAPHY: RETENTION_TIME 89.6403
3854 XCMS groupid (grpid): 180
3855 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
3856 PK$NUM_PEAK: 9
3857 PK$PEAK: m/z int. rel.int.
3858 107.803031921387 3178.51293945312 0.64
3859 118.970710754395 4064.91455078125 0.82
3860 122.573120117188 3604.3974609375 0.73
3861 122.841018676758 3260.1611328125 0.66
3862 144.101852416992 75870.515625 15.38
3863 159.065231323242 283091.5 57.4
3864 161.370590209961 3884.79516601562 0.79
3865 185.185729980469 3402.84643554688 0.69
3866 218.138641357422 493206.28125 100
3867
3868 RECORD_TITLE: MZ:218.1385 | RT:89.6 | grpid:180 | file:1
3869 MS$FOCUSED_ION: PRECURSOR_M/Z 218.138473510742
3870 AC$CHROMATOGRAPHY: RETENTION_TIME 89.6403
3871 XCMS groupid (grpid): 180
3872 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
3873 PK$NUM_PEAK: 9
3874 PK$PEAK: m/z int. rel.int.
3875 107.803031921387 3178.51293945312 0.64
3876 118.970710754395 4064.91455078125 0.82
3877 122.573120117188 3604.3974609375 0.73
3878 122.841018676758 3260.1611328125 0.66
3879 144.101852416992 75870.515625 15.38
3880 159.065231323242 283091.5 57.4
3881 161.370590209961 3884.79516601562 0.79
3882 185.185729980469 3402.84643554688 0.69
3883 218.138641357422 493206.28125 100
3884
3885 RECORD_TITLE: MZ:218.1385 | RT:89.6 | grpid:180 | file:1
3886 MS$FOCUSED_ION: PRECURSOR_M/Z 218.138488769531
3887 AC$CHROMATOGRAPHY: RETENTION_TIME 89.6403
3888 XCMS groupid (grpid): 180
3889 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
3890 PK$NUM_PEAK: 8
3891 PK$PEAK: m/z int. rel.int.
3892 102.753799438477 2581.81909179688 14.41
3893 117.332885742188 2623.33911132812 14.64
3894 121.065040588379 17920.083984375 100
3895 147.064270019531 2649.68701171875 14.79
3896 159.066253662109 3710.74462890625 20.71
3897 175.033752441406 2445.95654296875 13.65
3898 201.022094726562 4046.00170898438 22.58
3899 218.138198852539 8636.0166015625 48.19
3900
3901 RECORD_TITLE: MZ:218.1385 | RT:89.6 | grpid:180 | file:1
3902 MS$FOCUSED_ION: PRECURSOR_M/Z 218.138488769531
3903 AC$CHROMATOGRAPHY: RETENTION_TIME 89.6403
3904 XCMS groupid (grpid): 180
3905 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
3906 PK$NUM_PEAK: 8
3907 PK$PEAK: m/z int. rel.int.
3908 102.753799438477 2581.81909179688 14.41
3909 117.332885742188 2623.33911132812 14.64
3910 121.065040588379 17920.083984375 100
3911 147.064270019531 2649.68701171875 14.79
3912 159.066253662109 3710.74462890625 20.71
3913 175.033752441406 2445.95654296875 13.65
3914 201.022094726562 4046.00170898438 22.58
3915 218.138198852539 8636.0166015625 48.19
3916
3917 RECORD_TITLE: MZ:218.1384 | RT:89.8 | grpid:180 | file:2
3918 MS$FOCUSED_ION: PRECURSOR_M/Z 218.138366699219
3919 AC$CHROMATOGRAPHY: RETENTION_TIME 89.831544
3920 XCMS groupid (grpid): 180
3921 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
3922 PK$NUM_PEAK: 12
3923 PK$PEAK: m/z int. rel.int.
3924 103.819732666016 2238.61181640625 20.27
3925 111.044364929199 2661.66918945312 24.1
3926 115.333137512207 2948.8173828125 26.71
3927 122.399108886719 2382.97534179688 21.58
3928 126.919021606445 2917.90112304688 26.43
3929 129.05485534668 2796.9111328125 25.33
3930 130.973602294922 2337.80029296875 21.17
3931 132.102554321289 11042.03515625 100
3932 173.128204345703 2997.58325195312 27.15
3933 218.139312744141 3500.55224609375 31.7
3934 228.109329223633 2880.83715820312 26.09
3935 235.270477294922 2572.39428710938 23.3
3936
3937 RECORD_TITLE: MZ:218.1384 | RT:89.8 | grpid:180 | file:2
3938 MS$FOCUSED_ION: PRECURSOR_M/Z 218.138366699219
3939 AC$CHROMATOGRAPHY: RETENTION_TIME 89.831544
3940 XCMS groupid (grpid): 180
3941 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
3942 PK$NUM_PEAK: 12
3943 PK$PEAK: m/z int. rel.int.
3944 103.819732666016 2238.61181640625 20.27
3945 111.044364929199 2661.66918945312 24.1
3946 115.333137512207 2948.8173828125 26.71
3947 122.399108886719 2382.97534179688 21.58
3948 126.919021606445 2917.90112304688 26.43
3949 129.05485534668 2796.9111328125 25.33
3950 130.973602294922 2337.80029296875 21.17
3951 132.102554321289 11042.03515625 100
3952 173.128204345703 2997.58325195312 27.15
3953 218.139312744141 3500.55224609375 31.7
3954 228.109329223633 2880.83715820312 26.09
3955 235.270477294922 2572.39428710938 23.3
3956
3957 RECORD_TITLE: MZ:218.1385 | RT:89.8 | grpid:180 | file:2
3958 MS$FOCUSED_ION: PRECURSOR_M/Z 218.138458251953
3959 AC$CHROMATOGRAPHY: RETENTION_TIME 89.831544
3960 XCMS groupid (grpid): 180
3961 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
3962 PK$NUM_PEAK: 7
3963 PK$PEAK: m/z int. rel.int.
3964 134.753372192383 3845.90234375 0.73
3965 144.101928710938 78533.609375 14.94
3966 159.065155029297 285395.5 54.31
3967 175.136749267578 3432.48364257812 0.65
3968 210.694976806641 3835.62744140625 0.73
3969 218.07666015625 8092.6728515625 1.54
3970 218.138702392578 525536.25 100
3971
3972 RECORD_TITLE: MZ:218.1385 | RT:89.8 | grpid:180 | file:2
3973 MS$FOCUSED_ION: PRECURSOR_M/Z 218.138458251953
3974 AC$CHROMATOGRAPHY: RETENTION_TIME 89.831544
3975 XCMS groupid (grpid): 180
3976 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
3977 PK$NUM_PEAK: 7
3978 PK$PEAK: m/z int. rel.int.
3979 134.753372192383 3845.90234375 0.73
3980 144.101928710938 78533.609375 14.94
3981 159.065155029297 285395.5 54.31
3982 175.136749267578 3432.48364257812 0.65
3983 210.694976806641 3835.62744140625 0.73
3984 218.07666015625 8092.6728515625 1.54
3985 218.138702392578 525536.25 100
3986
3987 RECORD_TITLE: MZ:218.1385 | RT:89.8 | grpid:180 | file:2
3988 MS$FOCUSED_ION: PRECURSOR_M/Z 218.13850402832
3989 AC$CHROMATOGRAPHY: RETENTION_TIME 89.831544
3990 XCMS groupid (grpid): 180
3991 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
3992 PK$NUM_PEAK: 7
3993 PK$PEAK: m/z int. rel.int.
3994 104.22509765625 2301.33154296875 10.31
3995 121.064811706543 22311.3984375 100
3996 124.039810180664 3055.17749023438 13.69
3997 129.054977416992 3811.71557617188 17.08
3998 130.108779907227 2328.74780273438 10.44
3999 218.138671875 14387.341796875 64.48
4000 231.611038208008 2540.31982421875 11.39
4001
4002 RECORD_TITLE: MZ:218.1385 | RT:89.8 | grpid:180 | file:2
4003 MS$FOCUSED_ION: PRECURSOR_M/Z 218.13850402832
4004 AC$CHROMATOGRAPHY: RETENTION_TIME 89.831544
4005 XCMS groupid (grpid): 180
4006 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
4007 PK$NUM_PEAK: 7
4008 PK$PEAK: m/z int. rel.int.
4009 104.22509765625 2301.33154296875 10.31
4010 121.064811706543 22311.3984375 100
4011 124.039810180664 3055.17749023438 13.69
4012 129.054977416992 3811.71557617188 17.08
4013 130.108779907227 2328.74780273438 10.44
4014 218.138671875 14387.341796875 64.48
4015 231.611038208008 2540.31982421875 11.39
4016
4017 RECORD_TITLE: MZ:219.1337 | RT:84.2 | grpid:182 | file:1
4018 MS$FOCUSED_ION: PRECURSOR_M/Z 219.133682250977
4019 AC$CHROMATOGRAPHY: RETENTION_TIME 84.215802
4020 XCMS groupid (grpid): 182
4021 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
4022 PK$NUM_PEAK: 17
4023 PK$PEAK: m/z int. rel.int.
4024 117.065925598145 4331.37890625 0.21
4025 119.085418701172 4587.7412109375 0.23
4026 121.101333618164 5698.80517578125 0.28
4027 126.091384887695 16064.4111328125 0.79
4028 128.107162475586 102154.1328125 5.05
4029 132.101928710938 2022611.75 100
4030 133.101196289062 5687.90185546875 0.28
4031 155.117919921875 24920.931640625 1.23
4032 161.132385253906 6279.27978515625 0.31
4033 172.096343994141 31113.580078125 1.54
4034 173.128372192383 895054.375 44.25
4035 180.904510498047 3674.49365234375 0.18
4036 201.123245239258 130626.78125 6.46
4037 202.754135131836 3789.76586914062 0.19
4038 203.142944335938 95550.71875 4.72
4039 219.133941650391 199327.734375 9.85
4040 219.174087524414 297299.6875 14.7
4041
4042 RECORD_TITLE: MZ:219.1337 | RT:84.2 | grpid:182 | file:1
4043 MS$FOCUSED_ION: PRECURSOR_M/Z 219.133682250977
4044 AC$CHROMATOGRAPHY: RETENTION_TIME 84.215802
4045 XCMS groupid (grpid): 182
4046 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
4047 PK$NUM_PEAK: 17
4048 PK$PEAK: m/z int. rel.int.
4049 117.065925598145 4331.37890625 0.21
4050 119.085418701172 4587.7412109375 0.23
4051 121.101333618164 5698.80517578125 0.28
4052 126.091384887695 16064.4111328125 0.79
4053 128.107162475586 102154.1328125 5.05
4054 132.101928710938 2022611.75 100
4055 133.101196289062 5687.90185546875 0.28
4056 155.117919921875 24920.931640625 1.23
4057 161.132385253906 6279.27978515625 0.31
4058 172.096343994141 31113.580078125 1.54
4059 173.128372192383 895054.375 44.25
4060 180.904510498047 3674.49365234375 0.18
4061 201.123245239258 130626.78125 6.46
4062 202.754135131836 3789.76586914062 0.19
4063 203.142944335938 95550.71875 4.72
4064 219.133941650391 199327.734375 9.85
4065 219.174087524414 297299.6875 14.7
4066
4067 RECORD_TITLE: MZ:219.1337 | RT:83.6 | grpid:182 | file:2
4068 MS$FOCUSED_ION: PRECURSOR_M/Z 219.133697509766
4069 AC$CHROMATOGRAPHY: RETENTION_TIME 83.64567
4070 XCMS groupid (grpid): 182
4071 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
4072 PK$NUM_PEAK: 17
4073 PK$PEAK: m/z int. rel.int.
4074 105.063270568848 4203.001953125 0.18
4075 110.096893310547 4522.54443359375 0.19
4076 112.11270904541 5338.60205078125 0.23
4077 116.986259460449 5649.759765625 0.24
4078 117.06591796875 4515.78662109375 0.19
4079 126.091438293457 20249.6015625 0.86
4080 128.107208251953 120659.59375 5.12
4081 132.101974487305 2357033.25 100
4082 133.10124206543 5141.18505859375 0.22
4083 155.117614746094 24253.45703125 1.03
4084 172.097229003906 28655.04296875 1.22
4085 173.128463745117 1074516.375 45.59
4086 201.123107910156 142628.015625 6.05
4087 203.142913818359 105523.640625 4.48
4088 219.134048461914 212437.609375 9.01
4089 219.174209594727 327119.375 13.88
4090 222.249847412109 3721.74389648438 0.16
4091
4092 RECORD_TITLE: MZ:219.1337 | RT:83.6 | grpid:182 | file:2
4093 MS$FOCUSED_ION: PRECURSOR_M/Z 219.133697509766
4094 AC$CHROMATOGRAPHY: RETENTION_TIME 83.64567
4095 XCMS groupid (grpid): 182
4096 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
4097 PK$NUM_PEAK: 17
4098 PK$PEAK: m/z int. rel.int.
4099 105.063270568848 4203.001953125 0.18
4100 110.096893310547 4522.54443359375 0.19
4101 112.11270904541 5338.60205078125 0.23
4102 116.986259460449 5649.759765625 0.24
4103 117.06591796875 4515.78662109375 0.19
4104 126.091438293457 20249.6015625 0.86
4105 128.107208251953 120659.59375 5.12
4106 132.101974487305 2357033.25 100
4107 133.10124206543 5141.18505859375 0.22
4108 155.117614746094 24253.45703125 1.03
4109 172.097229003906 28655.04296875 1.22
4110 173.128463745117 1074516.375 45.59
4111 201.123107910156 142628.015625 6.05
4112 203.142913818359 105523.640625 4.48
4113 219.134048461914 212437.609375 9.01
4114 219.174209594727 327119.375 13.88
4115 222.249847412109 3721.74389648438 0.16
4116
4117 RECORD_TITLE: MZ:227.1137 | RT:46.9 | grpid:199 | file:1
4118 MS$FOCUSED_ION: PRECURSOR_M/Z 227.113693237305
4119 AC$CHROMATOGRAPHY: RETENTION_TIME 46.926273
4120 XCMS groupid (grpid): 199
4121 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
4122 PK$NUM_PEAK: 28
4123 PK$PEAK: m/z int. rel.int.
4124 109.063865661621 3976.69848632812 0.08
4125 110.071578979492 5157183.5 100
4126 111.055458068848 18864.41796875 0.37
4127 112.087417602539 32219.046875 0.62
4128 114.961769104004 4038.513671875 0.08
4129 116.070892333984 7452.65673828125 0.14
4130 120.884796142578 3409.80908203125 0.07
4131 122.071441650391 747641 14.5
4132 124.086860656738 4749.31494140625 0.09
4133 134.071258544922 4929.89697265625 0.1
4134 136.087158203125 37337.6796875 0.72
4135 138.065994262695 52444.08203125 1.02
4136 146.071090698242 91415.3671875 1.77
4137 148.086685180664 7030.39697265625 0.14
4138 152.081817626953 272783.15625 5.29
4139 156.076751708984 2114399.25 41
4140 164.081802368164 667852.25 12.95
4141 166.097290039062 5532.03466796875 0.11
4142 180.076736450195 183455.921875 3.56
4143 181.108245849609 452438.84375 8.77
4144 182.090789794922 6439.70166015625 0.12
4145 192.076919555664 113392.7421875 2.2
4146 198.08723449707 65038.66015625 1.26
4147 198.869476318359 3270.02294921875 0.06
4148 209.103057861328 75399.5703125 1.46
4149 210.087188720703 912743.5625 17.7
4150 224.923370361328 3780.64306640625 0.07
4151 227.113647460938 218042 4.23
4152
4153 RECORD_TITLE: MZ:227.1137 | RT:46.9 | grpid:199 | file:1
4154 MS$FOCUSED_ION: PRECURSOR_M/Z 227.113693237305
4155 AC$CHROMATOGRAPHY: RETENTION_TIME 46.926273
4156 XCMS groupid (grpid): 199
4157 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
4158 PK$NUM_PEAK: 28
4159 PK$PEAK: m/z int. rel.int.
4160 109.063865661621 3976.69848632812 0.08
4161 110.071578979492 5157183.5 100
4162 111.055458068848 18864.41796875 0.37
4163 112.087417602539 32219.046875 0.62
4164 114.961769104004 4038.513671875 0.08
4165 116.070892333984 7452.65673828125 0.14
4166 120.884796142578 3409.80908203125 0.07
4167 122.071441650391 747641 14.5
4168 124.086860656738 4749.31494140625 0.09
4169 134.071258544922 4929.89697265625 0.1
4170 136.087158203125 37337.6796875 0.72
4171 138.065994262695 52444.08203125 1.02
4172 146.071090698242 91415.3671875 1.77
4173 148.086685180664 7030.39697265625 0.14
4174 152.081817626953 272783.15625 5.29
4175 156.076751708984 2114399.25 41
4176 164.081802368164 667852.25 12.95
4177 166.097290039062 5532.03466796875 0.11
4178 180.076736450195 183455.921875 3.56
4179 181.108245849609 452438.84375 8.77
4180 182.090789794922 6439.70166015625 0.12
4181 192.076919555664 113392.7421875 2.2
4182 198.08723449707 65038.66015625 1.26
4183 198.869476318359 3270.02294921875 0.06
4184 209.103057861328 75399.5703125 1.46
4185 210.087188720703 912743.5625 17.7
4186 224.923370361328 3780.64306640625 0.07
4187 227.113647460938 218042 4.23
4188
4189 RECORD_TITLE: MZ:227.1135 | RT:46.9 | grpid:199 | file:1
4190 MS$FOCUSED_ION: PRECURSOR_M/Z 227.113494873047
4191 AC$CHROMATOGRAPHY: RETENTION_TIME 46.926273
4192 XCMS groupid (grpid): 199
4193 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
4194 PK$NUM_PEAK: 26
4195 PK$PEAK: m/z int. rel.int.
4196 110.071594238281 3455085.75 100
4197 111.055381774902 8208.2998046875 0.24
4198 112.087005615234 30480.38671875 0.88
4199 116.070869445801 196173.828125 5.68
4200 122.07145690918 495504.40625 14.34
4201 124.086784362793 6127.3720703125 0.18
4202 128.031753540039 50135.078125 1.45
4203 136.086944580078 22830.005859375 0.66
4204 138.066314697266 32069.20703125 0.93
4205 146.071044921875 54305.1875 1.57
4206 150.785430908203 5283.994140625 0.15
4207 152.081832885742 147392.34375 4.27
4208 156.076751708984 1476530.5 42.73
4209 159.049118041992 4586.6982421875 0.13
4210 163.965179443359 4605.9501953125 0.13
4211 164.081802368164 449720.71875 13.02
4212 180.076721191406 148789.59375 4.31
4213 181.108551025391 321351.5625 9.3
4214 185.092193603516 23619.828125 0.68
4215 185.227569580078 5673.0751953125 0.16
4216 192.076889038086 75429.078125 2.18
4217 198.087036132812 39931.79296875 1.16
4218 209.10546875 52783.671875 1.53
4219 210.087188720703 606993.0625 17.57
4220 227.097503662109 23334.078125 0.68
4221 227.117202758789 104483.0078125 3.02
4222
4223 RECORD_TITLE: MZ:227.1135 | RT:46.9 | grpid:199 | file:1
4224 MS$FOCUSED_ION: PRECURSOR_M/Z 227.113494873047
4225 AC$CHROMATOGRAPHY: RETENTION_TIME 46.926273
4226 XCMS groupid (grpid): 199
4227 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
4228 PK$NUM_PEAK: 26
4229 PK$PEAK: m/z int. rel.int.
4230 110.071594238281 3455085.75 100
4231 111.055381774902 8208.2998046875 0.24
4232 112.087005615234 30480.38671875 0.88
4233 116.070869445801 196173.828125 5.68
4234 122.07145690918 495504.40625 14.34
4235 124.086784362793 6127.3720703125 0.18
4236 128.031753540039 50135.078125 1.45
4237 136.086944580078 22830.005859375 0.66
4238 138.066314697266 32069.20703125 0.93
4239 146.071044921875 54305.1875 1.57
4240 150.785430908203 5283.994140625 0.15
4241 152.081832885742 147392.34375 4.27
4242 156.076751708984 1476530.5 42.73
4243 159.049118041992 4586.6982421875 0.13
4244 163.965179443359 4605.9501953125 0.13
4245 164.081802368164 449720.71875 13.02
4246 180.076721191406 148789.59375 4.31
4247 181.108551025391 321351.5625 9.3
4248 185.092193603516 23619.828125 0.68
4249 185.227569580078 5673.0751953125 0.16
4250 192.076889038086 75429.078125 2.18
4251 198.087036132812 39931.79296875 1.16
4252 209.10546875 52783.671875 1.53
4253 210.087188720703 606993.0625 17.57
4254 227.097503662109 23334.078125 0.68
4255 227.117202758789 104483.0078125 3.02
4256
4257 RECORD_TITLE: MZ:227.1137 | RT:47.1 | grpid:199 | file:2
4258 MS$FOCUSED_ION: PRECURSOR_M/Z 227.113677978516
4259 AC$CHROMATOGRAPHY: RETENTION_TIME 47.0589156
4260 XCMS groupid (grpid): 199
4261 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
4262 PK$NUM_PEAK: 28
4263 PK$PEAK: m/z int. rel.int.
4264 109.063323974609 4221.65771484375 0.07
4265 110.07154083252 5798238 100
4266 111.055290222168 20111.91796875 0.35
4267 112.087310791016 40849.96875 0.7
4268 116.070976257324 4864.33203125 0.08
4269 122.071434020996 848586.1875 14.64
4270 124.086753845215 4588.31640625 0.08
4271 136.086975097656 51356.94921875 0.89
4272 138.066223144531 59856.890625 1.03
4273 139.050079345703 7219.65087890625 0.12
4274 145.14469909668 3823.6279296875 0.07
4275 146.071044921875 83100.8125 1.43
4276 147.054962158203 5208.69189453125 0.09
4277 148.087280273438 6229.13134765625 0.11
4278 152.081726074219 280289.625 4.83
4279 153.128067016602 3270.22680664062 0.06
4280 154.060882568359 5990.9248046875 0.1
4281 156.076705932617 2450068.75 42.26
4282 164.081771850586 762235.875 13.15
4283 166.096435546875 3583.4150390625 0.06
4284 180.076614379883 204272.9375 3.52
4285 181.108245849609 566960.5625 9.78
4286 182.092300415039 18926.6875 0.33
4287 192.076599121094 130414.5 2.25
4288 198.087158203125 73449.0859375 1.27
4289 209.103179931641 67038.6328125 1.16
4290 210.087127685547 946560.0625 16.32
4291 227.113571166992 237832.515625 4.1
4292
4293 RECORD_TITLE: MZ:227.1137 | RT:47.1 | grpid:199 | file:2
4294 MS$FOCUSED_ION: PRECURSOR_M/Z 227.113677978516
4295 AC$CHROMATOGRAPHY: RETENTION_TIME 47.0589156
4296 XCMS groupid (grpid): 199
4297 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
4298 PK$NUM_PEAK: 28
4299 PK$PEAK: m/z int. rel.int.
4300 109.063323974609 4221.65771484375 0.07
4301 110.07154083252 5798238 100
4302 111.055290222168 20111.91796875 0.35
4303 112.087310791016 40849.96875 0.7
4304 116.070976257324 4864.33203125 0.08
4305 122.071434020996 848586.1875 14.64
4306 124.086753845215 4588.31640625 0.08
4307 136.086975097656 51356.94921875 0.89
4308 138.066223144531 59856.890625 1.03
4309 139.050079345703 7219.65087890625 0.12
4310 145.14469909668 3823.6279296875 0.07
4311 146.071044921875 83100.8125 1.43
4312 147.054962158203 5208.69189453125 0.09
4313 148.087280273438 6229.13134765625 0.11
4314 152.081726074219 280289.625 4.83
4315 153.128067016602 3270.22680664062 0.06
4316 154.060882568359 5990.9248046875 0.1
4317 156.076705932617 2450068.75 42.26
4318 164.081771850586 762235.875 13.15
4319 166.096435546875 3583.4150390625 0.06
4320 180.076614379883 204272.9375 3.52
4321 181.108245849609 566960.5625 9.78
4322 182.092300415039 18926.6875 0.33
4323 192.076599121094 130414.5 2.25
4324 198.087158203125 73449.0859375 1.27
4325 209.103179931641 67038.6328125 1.16
4326 210.087127685547 946560.0625 16.32
4327 227.113571166992 237832.515625 4.1
4328
4329 RECORD_TITLE: MZ:227.1135 | RT:47.1 | grpid:199 | file:2
4330 MS$FOCUSED_ION: PRECURSOR_M/Z 227.113540649414
4331 AC$CHROMATOGRAPHY: RETENTION_TIME 47.0589156
4332 XCMS groupid (grpid): 199
4333 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
4334 PK$NUM_PEAK: 26
4335 PK$PEAK: m/z int. rel.int.
4336 110.071632385254 4015777.25 100
4337 112.087242126465 22876.357421875 0.57
4338 116.062522888184 5434.8310546875 0.14
4339 116.070861816406 226792.078125 5.65
4340 122.071510314941 580428.625 14.45
4341 128.032089233398 74231.078125 1.85
4342 136.086791992188 32750.228515625 0.82
4343 138.06608581543 28351.646484375 0.71
4344 139.05094909668 6357.27099609375 0.16
4345 146.071029663086 81610.0078125 2.03
4346 152.081771850586 198174.9375 4.93
4347 156.076812744141 1565822.625 38.99
4348 164.081832885742 504408.21875 12.56
4349 164.141479492188 5804.94580078125 0.14
4350 166.061492919922 7163.70751953125 0.18
4351 166.097686767578 10044.3232421875 0.25
4352 178.063537597656 5560.33203125 0.14
4353 180.076644897461 149616.5 3.73
4354 181.108612060547 344560.375 8.58
4355 185.092254638672 33003.75390625 0.82
4356 192.077011108398 102114.21875 2.54
4357 198.086807250977 61685.7109375 1.54
4358 198.102767944336 5951.31640625 0.15
4359 209.104507446289 41406.42578125 1.03
4360 210.087265014648 682425.875 16.99
4361 227.117202758789 149649.421875 3.73
4362
4363 RECORD_TITLE: MZ:227.1135 | RT:47.1 | grpid:199 | file:2
4364 MS$FOCUSED_ION: PRECURSOR_M/Z 227.113540649414
4365 AC$CHROMATOGRAPHY: RETENTION_TIME 47.0589156
4366 XCMS groupid (grpid): 199
4367 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
4368 PK$NUM_PEAK: 26
4369 PK$PEAK: m/z int. rel.int.
4370 110.071632385254 4015777.25 100
4371 112.087242126465 22876.357421875 0.57
4372 116.062522888184 5434.8310546875 0.14
4373 116.070861816406 226792.078125 5.65
4374 122.071510314941 580428.625 14.45
4375 128.032089233398 74231.078125 1.85
4376 136.086791992188 32750.228515625 0.82
4377 138.06608581543 28351.646484375 0.71
4378 139.05094909668 6357.27099609375 0.16
4379 146.071029663086 81610.0078125 2.03
4380 152.081771850586 198174.9375 4.93
4381 156.076812744141 1565822.625 38.99
4382 164.081832885742 504408.21875 12.56
4383 164.141479492188 5804.94580078125 0.14
4384 166.061492919922 7163.70751953125 0.18
4385 166.097686767578 10044.3232421875 0.25
4386 178.063537597656 5560.33203125 0.14
4387 180.076644897461 149616.5 3.73
4388 181.108612060547 344560.375 8.58
4389 185.092254638672 33003.75390625 0.82
4390 192.077011108398 102114.21875 2.54
4391 198.086807250977 61685.7109375 1.54
4392 198.102767944336 5951.31640625 0.15
4393 209.104507446289 41406.42578125 1.03
4394 210.087265014648 682425.875 16.99
4395 227.117202758789 149649.421875 3.73
4396
4397 RECORD_TITLE: MZ:229.1545 | RT:110.4 | grpid:205 | file:1
4398 MS$FOCUSED_ION: PRECURSOR_M/Z 229.154479980469
4399 AC$CHROMATOGRAPHY: RETENTION_TIME 110.36505
4400 XCMS groupid (grpid): 205
4401 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
4402 PK$NUM_PEAK: 4
4403 PK$PEAK: m/z int. rel.int.
4404 124.07585144043 3996.03637695312 1.8
4405 132.102279663086 2883.22509765625 1.3
4406 142.086273193359 59200.7578125 26.68
4407 229.154678344727 221890.109375 100
4408
4409 RECORD_TITLE: MZ:229.1545 | RT:110.4 | grpid:205 | file:1
4410 MS$FOCUSED_ION: PRECURSOR_M/Z 229.154479980469
4411 AC$CHROMATOGRAPHY: RETENTION_TIME 110.36505
4412 XCMS groupid (grpid): 205
4413 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
4414 PK$NUM_PEAK: 4
4415 PK$PEAK: m/z int. rel.int.
4416 124.07585144043 3996.03637695312 1.8
4417 132.102279663086 2883.22509765625 1.3
4418 142.086273193359 59200.7578125 26.68
4419 229.154678344727 221890.109375 100
4420
4421 RECORD_TITLE: MZ:229.1544 | RT:110.4 | grpid:205 | file:1
4422 MS$FOCUSED_ION: PRECURSOR_M/Z 229.154418945312
4423 AC$CHROMATOGRAPHY: RETENTION_TIME 110.36505
4424 XCMS groupid (grpid): 205
4425 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
4426 PK$NUM_PEAK: 15
4427 PK$PEAK: m/z int. rel.int.
4428 113.684791564941 2837.75732421875 0.09
4429 114.055213928223 88155.328125 2.91
4430 114.091705322266 33237.31640625 1.1
4431 116.070983886719 24816.646484375 0.82
4432 118.086479187012 128697.59375 4.25
4433 124.07592010498 99571.1484375 3.29
4434 126.091514587402 23031.490234375 0.76
4435 138.091461181641 23054.169921875 0.76
4436 142.086227416992 939782.375 31.05
4437 150.766067504883 2972.89770507812 0.1
4438 155.11799621582 14528.046875 0.48
4439 163.416748046875 3224.02270507812 0.11
4440 170.0810546875 53706.90625 1.77
4441 183.11279296875 157506.125 5.2
4442 229.154556274414 3026336.75 100
4443
4444 RECORD_TITLE: MZ:229.1544 | RT:110.4 | grpid:205 | file:1
4445 MS$FOCUSED_ION: PRECURSOR_M/Z 229.154418945312
4446 AC$CHROMATOGRAPHY: RETENTION_TIME 110.36505
4447 XCMS groupid (grpid): 205
4448 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
4449 PK$NUM_PEAK: 15
4450 PK$PEAK: m/z int. rel.int.
4451 113.684791564941 2837.75732421875 0.09
4452 114.055213928223 88155.328125 2.91
4453 114.091705322266 33237.31640625 1.1
4454 116.070983886719 24816.646484375 0.82
4455 118.086479187012 128697.59375 4.25
4456 124.07592010498 99571.1484375 3.29
4457 126.091514587402 23031.490234375 0.76
4458 138.091461181641 23054.169921875 0.76
4459 142.086227416992 939782.375 31.05
4460 150.766067504883 2972.89770507812 0.1
4461 155.11799621582 14528.046875 0.48
4462 163.416748046875 3224.02270507812 0.11
4463 170.0810546875 53706.90625 1.77
4464 183.11279296875 157506.125 5.2
4465 229.154556274414 3026336.75 100
4466
4467 RECORD_TITLE: MZ:229.1544 | RT:110.4 | grpid:205 | file:1
4468 MS$FOCUSED_ION: PRECURSOR_M/Z 229.154434204102
4469 AC$CHROMATOGRAPHY: RETENTION_TIME 110.36505
4470 XCMS groupid (grpid): 205
4471 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
4472 PK$NUM_PEAK: 14
4473 PK$PEAK: m/z int. rel.int.
4474 112.469497680664 3008.18212890625 0.15
4475 114.055252075195 58211.37109375 2.92
4476 114.091743469238 20295.462890625 1.02
4477 116.070739746094 12375.900390625 0.62
4478 118.086578369141 53857.25390625 2.7
4479 124.075782775879 69204.625 3.47
4480 126.091430664062 5008.6630859375 0.25
4481 138.091171264648 10941.447265625 0.55
4482 142.086227416992 600968.9375 30.16
4483 161.004608154297 3299.0361328125 0.17
4484 170.081069946289 27404.93359375 1.38
4485 183.112686157227 70423.03125 3.53
4486 188.466903686523 2877.20971679688 0.14
4487 229.154541015625 1992422 100
4488
4489 RECORD_TITLE: MZ:229.1544 | RT:110.4 | grpid:205 | file:1
4490 MS$FOCUSED_ION: PRECURSOR_M/Z 229.154434204102
4491 AC$CHROMATOGRAPHY: RETENTION_TIME 110.36505
4492 XCMS groupid (grpid): 205
4493 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
4494 PK$NUM_PEAK: 14
4495 PK$PEAK: m/z int. rel.int.
4496 112.469497680664 3008.18212890625 0.15
4497 114.055252075195 58211.37109375 2.92
4498 114.091743469238 20295.462890625 1.02
4499 116.070739746094 12375.900390625 0.62
4500 118.086578369141 53857.25390625 2.7
4501 124.075782775879 69204.625 3.47
4502 126.091430664062 5008.6630859375 0.25
4503 138.091171264648 10941.447265625 0.55
4504 142.086227416992 600968.9375 30.16
4505 161.004608154297 3299.0361328125 0.17
4506 170.081069946289 27404.93359375 1.38
4507 183.112686157227 70423.03125 3.53
4508 188.466903686523 2877.20971679688 0.14
4509 229.154541015625 1992422 100
4510
4511 RECORD_TITLE: MZ:229.1545 | RT:110.4 | grpid:205 | file:1
4512 MS$FOCUSED_ION: PRECURSOR_M/Z 229.154479980469
4513 AC$CHROMATOGRAPHY: RETENTION_TIME 110.36505
4514 XCMS groupid (grpid): 205
4515 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
4516 PK$NUM_PEAK: 4
4517 PK$PEAK: m/z int. rel.int.
4518 108.366012573242 2389.92602539062 8.14
4519 115.646865844727 2582.40161132812 8.8
4520 228.946487426758 2862.51293945312 9.76
4521 229.154830932617 29343.333984375 100
4522
4523 RECORD_TITLE: MZ:229.1545 | RT:110.4 | grpid:205 | file:1
4524 MS$FOCUSED_ION: PRECURSOR_M/Z 229.154479980469
4525 AC$CHROMATOGRAPHY: RETENTION_TIME 110.36505
4526 XCMS groupid (grpid): 205
4527 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
4528 PK$NUM_PEAK: 4
4529 PK$PEAK: m/z int. rel.int.
4530 108.366012573242 2389.92602539062 8.14
4531 115.646865844727 2582.40161132812 8.8
4532 228.946487426758 2862.51293945312 9.76
4533 229.154830932617 29343.333984375 100
4534
4535 RECORD_TITLE: MZ:229.1545 | RT:110.6 | grpid:205 | file:2
4536 MS$FOCUSED_ION: PRECURSOR_M/Z 229.154495239258
4537 AC$CHROMATOGRAPHY: RETENTION_TIME 110.559792
4538 XCMS groupid (grpid): 205
4539 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
4540 PK$NUM_PEAK: 8
4541 PK$PEAK: m/z int. rel.int.
4542 110.449501037598 2561.81323242188 1.06
4543 114.05534362793 5061.34375 2.1
4544 142.086364746094 54889.66015625 22.8
4545 160.547882080078 2563.63891601562 1.06
4546 172.763061523438 2237.0029296875 0.93
4547 174.426773071289 2692.06103515625 1.12
4548 229.154678344727 240741.890625 100
4549 229.234664916992 3307.47534179688 1.37
4550
4551 RECORD_TITLE: MZ:229.1545 | RT:110.6 | grpid:205 | file:2
4552 MS$FOCUSED_ION: PRECURSOR_M/Z 229.154495239258
4553 AC$CHROMATOGRAPHY: RETENTION_TIME 110.559792
4554 XCMS groupid (grpid): 205
4555 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
4556 PK$NUM_PEAK: 8
4557 PK$PEAK: m/z int. rel.int.
4558 110.449501037598 2561.81323242188 1.06
4559 114.05534362793 5061.34375 2.1
4560 142.086364746094 54889.66015625 22.8
4561 160.547882080078 2563.63891601562 1.06
4562 172.763061523438 2237.0029296875 0.93
4563 174.426773071289 2692.06103515625 1.12
4564 229.154678344727 240741.890625 100
4565 229.234664916992 3307.47534179688 1.37
4566
4567 RECORD_TITLE: MZ:229.1544 | RT:110.6 | grpid:205 | file:2
4568 MS$FOCUSED_ION: PRECURSOR_M/Z 229.154403686523
4569 AC$CHROMATOGRAPHY: RETENTION_TIME 110.559792
4570 XCMS groupid (grpid): 205
4571 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
4572 PK$NUM_PEAK: 13
4573 PK$PEAK: m/z int. rel.int.
4574 111.823776245117 3158.60302734375 0.08
4575 114.05517578125 133561.359375 3.56
4576 114.09156036377 56416.01171875 1.5
4577 116.070823669434 34940.0546875 0.93
4578 118.086433410645 152664.328125 4.07
4579 124.075736999512 150421.125 4.01
4580 126.091659545898 21493.138671875 0.57
4581 138.091064453125 28345.015625 0.76
4582 142.086212158203 1188447.125 31.7
4583 155.117919921875 16436.8359375 0.44
4584 170.080856323242 60972.6015625 1.63
4585 183.112701416016 201120.578125 5.36
4586 229.154495239258 3749332.75 100
4587
4588 RECORD_TITLE: MZ:229.1544 | RT:110.6 | grpid:205 | file:2
4589 MS$FOCUSED_ION: PRECURSOR_M/Z 229.154403686523
4590 AC$CHROMATOGRAPHY: RETENTION_TIME 110.559792
4591 XCMS groupid (grpid): 205
4592 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
4593 PK$NUM_PEAK: 13
4594 PK$PEAK: m/z int. rel.int.
4595 111.823776245117 3158.60302734375 0.08
4596 114.05517578125 133561.359375 3.56
4597 114.09156036377 56416.01171875 1.5
4598 116.070823669434 34940.0546875 0.93
4599 118.086433410645 152664.328125 4.07
4600 124.075736999512 150421.125 4.01
4601 126.091659545898 21493.138671875 0.57
4602 138.091064453125 28345.015625 0.76
4603 142.086212158203 1188447.125 31.7
4604 155.117919921875 16436.8359375 0.44
4605 170.080856323242 60972.6015625 1.63
4606 183.112701416016 201120.578125 5.36
4607 229.154495239258 3749332.75 100
4608
4609 RECORD_TITLE: MZ:229.1544 | RT:110.6 | grpid:205 | file:2
4610 MS$FOCUSED_ION: PRECURSOR_M/Z 229.154434204102
4611 AC$CHROMATOGRAPHY: RETENTION_TIME 110.559792
4612 XCMS groupid (grpid): 205
4613 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
4614 PK$NUM_PEAK: 15
4615 PK$PEAK: m/z int. rel.int.
4616 114.055229187012 60647.390625 2.82
4617 114.091636657715 25895.21484375 1.21
4618 116.070693969727 16604.19921875 0.77
4619 118.086502075195 69176.140625 3.22
4620 124.075775146484 78477.671875 3.65
4621 126.091461181641 13197.8076171875 0.61
4622 138.091033935547 5390.48388671875 0.25
4623 142.08625793457 654026.6875 30.44
4624 155.118103027344 6471.89501953125 0.3
4625 161.247924804688 3175.17504882812 0.15
4626 170.080963134766 28398.98828125 1.32
4627 183.112716674805 82691.453125 3.85
4628 200.034515380859 3440.39624023438 0.16
4629 211.416717529297 2697.9521484375 0.13
4630 229.154586791992 2148494.25 100
4631
4632 RECORD_TITLE: MZ:229.1544 | RT:110.6 | grpid:205 | file:2
4633 MS$FOCUSED_ION: PRECURSOR_M/Z 229.154434204102
4634 AC$CHROMATOGRAPHY: RETENTION_TIME 110.559792
4635 XCMS groupid (grpid): 205
4636 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
4637 PK$NUM_PEAK: 15
4638 PK$PEAK: m/z int. rel.int.
4639 114.055229187012 60647.390625 2.82
4640 114.091636657715 25895.21484375 1.21
4641 116.070693969727 16604.19921875 0.77
4642 118.086502075195 69176.140625 3.22
4643 124.075775146484 78477.671875 3.65
4644 126.091461181641 13197.8076171875 0.61
4645 138.091033935547 5390.48388671875 0.25
4646 142.08625793457 654026.6875 30.44
4647 155.118103027344 6471.89501953125 0.3
4648 161.247924804688 3175.17504882812 0.15
4649 170.080963134766 28398.98828125 1.32
4650 183.112716674805 82691.453125 3.85
4651 200.034515380859 3440.39624023438 0.16
4652 211.416717529297 2697.9521484375 0.13
4653 229.154586791992 2148494.25 100
4654
4655 RECORD_TITLE: MZ:229.1545 | RT:110.6 | grpid:205 | file:2
4656 MS$FOCUSED_ION: PRECURSOR_M/Z 229.154479980469
4657 AC$CHROMATOGRAPHY: RETENTION_TIME 110.559792
4658 XCMS groupid (grpid): 205
4659 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
4660 PK$NUM_PEAK: 2
4661 PK$PEAK: m/z int. rel.int.
4662 226.508209228516 2416.11083984375 10.15
4663 229.154418945312 23813.91015625 100
4664
4665 RECORD_TITLE: MZ:229.1545 | RT:110.6 | grpid:205 | file:2
4666 MS$FOCUSED_ION: PRECURSOR_M/Z 229.154479980469
4667 AC$CHROMATOGRAPHY: RETENTION_TIME 110.559792
4668 XCMS groupid (grpid): 205
4669 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
4670 PK$NUM_PEAK: 2
4671 PK$PEAK: m/z int. rel.int.
4672 226.508209228516 2416.11083984375 10.15
4673 229.154418945312 23813.91015625 100
4674
4675 RECORD_TITLE: MZ:230.1385 | RT:116.8 | grpid:206 | file:1
4676 MS$FOCUSED_ION: PRECURSOR_M/Z 230.138534545898
4677 AC$CHROMATOGRAPHY: RETENTION_TIME 116.806434
4678 XCMS groupid (grpid): 206
4679 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
4680 PK$NUM_PEAK: 8
4681 PK$PEAK: m/z int. rel.int.
4682 129.741027832031 2646.4072265625 4.45
4683 142.085998535156 3789.9736328125 6.37
4684 143.090148925781 6127.15771484375 10.3
4685 161.254379272461 2645.1708984375 4.45
4686 171.065704345703 18404.42578125 30.94
4687 181.609985351562 2270.83032226562 3.82
4688 230.138336181641 16945.2265625 28.49
4689 230.158309936523 59480.609375 100
4690
4691 RECORD_TITLE: MZ:230.1385 | RT:116.8 | grpid:206 | file:1
4692 MS$FOCUSED_ION: PRECURSOR_M/Z 230.138534545898
4693 AC$CHROMATOGRAPHY: RETENTION_TIME 116.806434
4694 XCMS groupid (grpid): 206
4695 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
4696 PK$NUM_PEAK: 8
4697 PK$PEAK: m/z int. rel.int.
4698 129.741027832031 2646.4072265625 4.45
4699 142.085998535156 3789.9736328125 6.37
4700 143.090148925781 6127.15771484375 10.3
4701 161.254379272461 2645.1708984375 4.45
4702 171.065704345703 18404.42578125 30.94
4703 181.609985351562 2270.83032226562 3.82
4704 230.138336181641 16945.2265625 28.49
4705 230.158309936523 59480.609375 100
4706
4707 RECORD_TITLE: MZ:230.1384 | RT:116.8 | grpid:206 | file:1
4708 MS$FOCUSED_ION: PRECURSOR_M/Z 230.138412475586
4709 AC$CHROMATOGRAPHY: RETENTION_TIME 116.806434
4710 XCMS groupid (grpid): 206
4711 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
4712 PK$NUM_PEAK: 17
4713 PK$PEAK: m/z int. rel.int.
4714 100.23999786377 2375.47680664062 3.67
4715 134.948608398438 2629.12426757812 4.06
4716 144.102401733398 5664.46728515625 8.75
4717 155.723358154297 2731.0634765625 4.22
4718 157.907409667969 2933.0439453125 4.53
4719 166.047592163086 15541.818359375 24.02
4720 170.705688476562 2597.7197265625 4.01
4721 171.065200805664 47139.09375 72.85
4722 175.505096435547 2865.88891601562 4.43
4723 175.522003173828 2354.20971679688 3.64
4724 184.334548950195 2978.513671875 4.6
4725 224.660781860352 2611.29052734375 4.04
4726 230.048034667969 3023.58984375 4.67
4727 230.074829101562 3314.45288085938 5.12
4728 230.138198852539 64708.8984375 100
4729 230.157638549805 8235.0732421875 12.73
4730 252.623626708984 2589.5390625 4
4731
4732 RECORD_TITLE: MZ:230.1384 | RT:116.8 | grpid:206 | file:1
4733 MS$FOCUSED_ION: PRECURSOR_M/Z 230.138412475586
4734 AC$CHROMATOGRAPHY: RETENTION_TIME 116.806434
4735 XCMS groupid (grpid): 206
4736 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
4737 PK$NUM_PEAK: 17
4738 PK$PEAK: m/z int. rel.int.
4739 100.23999786377 2375.47680664062 3.67
4740 134.948608398438 2629.12426757812 4.06
4741 144.102401733398 5664.46728515625 8.75
4742 155.723358154297 2731.0634765625 4.22
4743 157.907409667969 2933.0439453125 4.53
4744 166.047592163086 15541.818359375 24.02
4745 170.705688476562 2597.7197265625 4.01
4746 171.065200805664 47139.09375 72.85
4747 175.505096435547 2865.88891601562 4.43
4748 175.522003173828 2354.20971679688 3.64
4749 184.334548950195 2978.513671875 4.6
4750 224.660781860352 2611.29052734375 4.04
4751 230.048034667969 3023.58984375 4.67
4752 230.074829101562 3314.45288085938 5.12
4753 230.138198852539 64708.8984375 100
4754 230.157638549805 8235.0732421875 12.73
4755 252.623626708984 2589.5390625 4
4756
4757 RECORD_TITLE: MZ:230.1385 | RT:117 | grpid:206 | file:2
4758 MS$FOCUSED_ION: PRECURSOR_M/Z 230.13850402832
4759 AC$CHROMATOGRAPHY: RETENTION_TIME 116.993448
4760 XCMS groupid (grpid): 206
4761 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
4762 PK$NUM_PEAK: 7
4763 PK$PEAK: m/z int. rel.int.
4764 121.085006713867 2832.43310546875 4.35
4765 142.08625793457 4096.91064453125 6.3
4766 143.027862548828 2362.39404296875 3.63
4767 143.089935302734 6177.53173828125 9.5
4768 171.065704345703 9980.953125 15.34
4769 230.138427734375 11488.73828125 17.66
4770 230.157989501953 65046.7734375 100
4771
4772 RECORD_TITLE: MZ:230.1385 | RT:117 | grpid:206 | file:2
4773 MS$FOCUSED_ION: PRECURSOR_M/Z 230.13850402832
4774 AC$CHROMATOGRAPHY: RETENTION_TIME 116.993448
4775 XCMS groupid (grpid): 206
4776 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
4777 PK$NUM_PEAK: 7
4778 PK$PEAK: m/z int. rel.int.
4779 121.085006713867 2832.43310546875 4.35
4780 142.08625793457 4096.91064453125 6.3
4781 143.027862548828 2362.39404296875 3.63
4782 143.089935302734 6177.53173828125 9.5
4783 171.065704345703 9980.953125 15.34
4784 230.138427734375 11488.73828125 17.66
4785 230.157989501953 65046.7734375 100
4786
4787 RECORD_TITLE: MZ:230.1384 | RT:117 | grpid:206 | file:2
4788 MS$FOCUSED_ION: PRECURSOR_M/Z 230.138442993164
4789 AC$CHROMATOGRAPHY: RETENTION_TIME 116.993448
4790 XCMS groupid (grpid): 206
4791 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
4792 PK$NUM_PEAK: 5
4793 PK$PEAK: m/z int. rel.int.
4794 103.442092895508 2566.20703125 9.14
4795 154.53678894043 2769.9482421875 9.87
4796 171.06477355957 25066.97265625 89.31
4797 199.904586791992 2728.13745117188 9.72
4798 230.13835144043 28067.6171875 100
4799
4800 RECORD_TITLE: MZ:230.1384 | RT:117 | grpid:206 | file:2
4801 MS$FOCUSED_ION: PRECURSOR_M/Z 230.138442993164
4802 AC$CHROMATOGRAPHY: RETENTION_TIME 116.993448
4803 XCMS groupid (grpid): 206
4804 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
4805 PK$NUM_PEAK: 5
4806 PK$PEAK: m/z int. rel.int.
4807 103.442092895508 2566.20703125 9.14
4808 154.53678894043 2769.9482421875 9.87
4809 171.06477355957 25066.97265625 89.31
4810 199.904586791992 2728.13745117188 9.72
4811 230.13835144043 28067.6171875 100
4812
4813 RECORD_TITLE: MZ:230.1384 | RT:117 | grpid:206 | file:2
4814 MS$FOCUSED_ION: PRECURSOR_M/Z 230.138442993164
4815 AC$CHROMATOGRAPHY: RETENTION_TIME 116.993448
4816 XCMS groupid (grpid): 206
4817 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
4818 PK$NUM_PEAK: 13
4819 PK$PEAK: m/z int. rel.int.
4820 118.637107849121 2638.11669921875 2.56
4821 133.330627441406 2652.22534179688 2.57
4822 139.023971557617 2837.33520507812 2.75
4823 144.102294921875 13455.767578125 13.06
4824 166.047912597656 9638.998046875 9.35
4825 167.984619140625 2446.177734375 2.37
4826 170.596984863281 2782.6201171875 2.7
4827 171.065002441406 82371.75 79.94
4828 198.879165649414 3006.13061523438 2.92
4829 204.917419433594 2715.51708984375 2.64
4830 230.046417236328 4664.95068359375 4.53
4831 230.138137817383 103036.0625 100
4832 230.155090332031 8631.9453125 8.38
4833
4834 RECORD_TITLE: MZ:230.1384 | RT:117 | grpid:206 | file:2
4835 MS$FOCUSED_ION: PRECURSOR_M/Z 230.138442993164
4836 AC$CHROMATOGRAPHY: RETENTION_TIME 116.993448
4837 XCMS groupid (grpid): 206
4838 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
4839 PK$NUM_PEAK: 13
4840 PK$PEAK: m/z int. rel.int.
4841 118.637107849121 2638.11669921875 2.56
4842 133.330627441406 2652.22534179688 2.57
4843 139.023971557617 2837.33520507812 2.75
4844 144.102294921875 13455.767578125 13.06
4845 166.047912597656 9638.998046875 9.35
4846 167.984619140625 2446.177734375 2.37
4847 170.596984863281 2782.6201171875 2.7
4848 171.065002441406 82371.75 79.94
4849 198.879165649414 3006.13061523438 2.92
4850 204.917419433594 2715.51708984375 2.64
4851 230.046417236328 4664.95068359375 4.53
4852 230.138137817383 103036.0625 100
4853 230.155090332031 8631.9453125 8.38
4854
4855 RECORD_TITLE: MZ:231.1699 | RT:130.8 | grpid:209 | file:1
4856 MS$FOCUSED_ION: PRECURSOR_M/Z 231.169937133789
4857 AC$CHROMATOGRAPHY: RETENTION_TIME 130.794318
4858 XCMS groupid (grpid): 209
4859 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
4860 PK$NUM_PEAK: 7
4861 PK$PEAK: m/z int. rel.int.
4862 111.466903686523 3197.19702148438 13.95
4863 116.07112121582 3271.9736328125 14.27
4864 118.086364746094 22924.626953125 100
4865 132.357925415039 2541.77392578125 11.09
4866 179.655456542969 2593.84716796875 11.31
4867 185.16487121582 4451.75 19.42
4868 231.170959472656 13349.1865234375 58.23
4869
4870 RECORD_TITLE: MZ:231.1699 | RT:130.8 | grpid:209 | file:1
4871 MS$FOCUSED_ION: PRECURSOR_M/Z 231.169937133789
4872 AC$CHROMATOGRAPHY: RETENTION_TIME 130.794318
4873 XCMS groupid (grpid): 209
4874 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
4875 PK$NUM_PEAK: 7
4876 PK$PEAK: m/z int. rel.int.
4877 111.466903686523 3197.19702148438 13.95
4878 116.07112121582 3271.9736328125 14.27
4879 118.086364746094 22924.626953125 100
4880 132.357925415039 2541.77392578125 11.09
4881 179.655456542969 2593.84716796875 11.31
4882 185.16487121582 4451.75 19.42
4883 231.170959472656 13349.1865234375 58.23
4884
4885 RECORD_TITLE: MZ:231.1699 | RT:131.1 | grpid:209 | file:2
4886 MS$FOCUSED_ION: PRECURSOR_M/Z 231.169860839844
4887 AC$CHROMATOGRAPHY: RETENTION_TIME 131.148558
4888 XCMS groupid (grpid): 209
4889 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
4890 PK$NUM_PEAK: 6
4891 PK$PEAK: m/z int. rel.int.
4892 116.427024841309 2544.30590820312 8.85
4893 118.086326599121 28757.314453125 100
4894 134.190277099609 2779.22607421875 9.66
4895 185.16487121582 11899.6162109375 41.38
4896 231.170867919922 12690.720703125 44.13
4897 242.216293334961 3109.39599609375 10.81
4898
4899 RECORD_TITLE: MZ:231.1699 | RT:131.1 | grpid:209 | file:2
4900 MS$FOCUSED_ION: PRECURSOR_M/Z 231.169860839844
4901 AC$CHROMATOGRAPHY: RETENTION_TIME 131.148558
4902 XCMS groupid (grpid): 209
4903 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
4904 PK$NUM_PEAK: 6
4905 PK$PEAK: m/z int. rel.int.
4906 116.427024841309 2544.30590820312 8.85
4907 118.086326599121 28757.314453125 100
4908 134.190277099609 2779.22607421875 9.66
4909 185.16487121582 11899.6162109375 41.38
4910 231.170867919922 12690.720703125 44.13
4911 242.216293334961 3109.39599609375 10.81
4912
4913 RECORD_TITLE: MZ:233.1493 | RT:66.7 | grpid:214 | file:1
4914 MS$FOCUSED_ION: PRECURSOR_M/Z 233.149276733398
4915 AC$CHROMATOGRAPHY: RETENTION_TIME 66.710418
4916 XCMS groupid (grpid): 214
4917 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
4918 PK$NUM_PEAK: 11
4919 PK$PEAK: m/z int. rel.int.
4920 102.055320739746 46058.9453125 28.46
4921 120.06568145752 161852.859375 100
4922 130.049957275391 20183.56640625 12.47
4923 135.011108398438 3049.1376953125 1.88
4924 178.617614746094 3519.65258789062 2.17
4925 191.037002563477 3096.40966796875 1.91
4926 196.815231323242 2873.07104492188 1.78
4927 215.138961791992 18780.240234375 11.6
4928 220.911285400391 2972.72998046875 1.84
4929 230.603881835938 2980.03857421875 1.84
4930 233.149765014648 42429.27734375 26.21
4931
4932 RECORD_TITLE: MZ:233.1493 | RT:66.7 | grpid:214 | file:1
4933 MS$FOCUSED_ION: PRECURSOR_M/Z 233.149276733398
4934 AC$CHROMATOGRAPHY: RETENTION_TIME 66.710418
4935 XCMS groupid (grpid): 214
4936 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
4937 PK$NUM_PEAK: 11
4938 PK$PEAK: m/z int. rel.int.
4939 102.055320739746 46058.9453125 28.46
4940 120.06568145752 161852.859375 100
4941 130.049957275391 20183.56640625 12.47
4942 135.011108398438 3049.1376953125 1.88
4943 178.617614746094 3519.65258789062 2.17
4944 191.037002563477 3096.40966796875 1.91
4945 196.815231323242 2873.07104492188 1.78
4946 215.138961791992 18780.240234375 11.6
4947 220.911285400391 2972.72998046875 1.84
4948 230.603881835938 2980.03857421875 1.84
4949 233.149765014648 42429.27734375 26.21
4950
4951 RECORD_TITLE: MZ:233.1492 | RT:66.7 | grpid:214 | file:1
4952 MS$FOCUSED_ION: PRECURSOR_M/Z 233.149154663086
4953 AC$CHROMATOGRAPHY: RETENTION_TIME 66.710418
4954 XCMS groupid (grpid): 214
4955 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
4956 PK$NUM_PEAK: 10
4957 PK$PEAK: m/z int. rel.int.
4958 102.055374145508 86910.296875 28.65
4959 120.065704345703 303368.0625 100
4960 130.049865722656 77713.6015625 25.62
4961 132.102035522461 5361.0576171875 1.77
4962 142.122955322266 5992.06689453125 1.98
4963 145.37971496582 4975.8681640625 1.64
4964 152.107040405273 6148.76708984375 2.03
4965 187.143295288086 7237.05029296875 2.39
4966 215.139175415039 48739.20703125 16.07
4967 233.149841308594 30125.052734375 9.93
4968
4969 RECORD_TITLE: MZ:233.1492 | RT:66.7 | grpid:214 | file:1
4970 MS$FOCUSED_ION: PRECURSOR_M/Z 233.149154663086
4971 AC$CHROMATOGRAPHY: RETENTION_TIME 66.710418
4972 XCMS groupid (grpid): 214
4973 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
4974 PK$NUM_PEAK: 10
4975 PK$PEAK: m/z int. rel.int.
4976 102.055374145508 86910.296875 28.65
4977 120.065704345703 303368.0625 100
4978 130.049865722656 77713.6015625 25.62
4979 132.102035522461 5361.0576171875 1.77
4980 142.122955322266 5992.06689453125 1.98
4981 145.37971496582 4975.8681640625 1.64
4982 152.107040405273 6148.76708984375 2.03
4983 187.143295288086 7237.05029296875 2.39
4984 215.139175415039 48739.20703125 16.07
4985 233.149841308594 30125.052734375 9.93
4986
4987 RECORD_TITLE: MZ:233.1491 | RT:66.7 | grpid:214 | file:1
4988 MS$FOCUSED_ION: PRECURSOR_M/Z 233.149139404297
4989 AC$CHROMATOGRAPHY: RETENTION_TIME 66.710418
4990 XCMS groupid (grpid): 214
4991 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
4992 PK$NUM_PEAK: 23
4993 PK$PEAK: m/z int. rel.int.
4994 101.071334838867 100605.4296875 17.83
4995 113.071434020996 4531.82373046875 0.8
4996 113.487442016602 3021.54858398438 0.54
4997 115.229232788086 2852.96069335938 0.51
4998 119.081916809082 2818.02465820312 0.5
4999 120.247566223145 3205.66284179688 0.57
5000 124.111930847168 11710.2001953125 2.07
5001 126.091361999512 6898.45703125 1.22
5002 126.127662658691 18839.728515625 3.34
5003 132.101913452148 564388 100
5004 133.886932373047 2731.486328125 0.48
5005 141.13835144043 4627.3662109375 0.82
5006 142.122482299805 56002.75 9.92
5007 143.11784362793 32530.818359375 5.76
5008 152.106948852539 3150.77368164062 0.56
5009 169.13362121582 50189.1640625 8.89
5010 172.096221923828 5551.4375 0.98
5011 187.143966674805 358919.5625 63.59
5012 196.911468505859 2813.21264648438 0.5
5013 215.139007568359 55979.66796875 9.92
5014 227.10466003418 2925.60131835938 0.52
5015 233.149459838867 93581.796875 16.58
5016 233.250183105469 2942.49877929688 0.52
5017
5018 RECORD_TITLE: MZ:233.1491 | RT:66.7 | grpid:214 | file:1
5019 MS$FOCUSED_ION: PRECURSOR_M/Z 233.149139404297
5020 AC$CHROMATOGRAPHY: RETENTION_TIME 66.710418
5021 XCMS groupid (grpid): 214
5022 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
5023 PK$NUM_PEAK: 23
5024 PK$PEAK: m/z int. rel.int.
5025 101.071334838867 100605.4296875 17.83
5026 113.071434020996 4531.82373046875 0.8
5027 113.487442016602 3021.54858398438 0.54
5028 115.229232788086 2852.96069335938 0.51
5029 119.081916809082 2818.02465820312 0.5
5030 120.247566223145 3205.66284179688 0.57
5031 124.111930847168 11710.2001953125 2.07
5032 126.091361999512 6898.45703125 1.22
5033 126.127662658691 18839.728515625 3.34
5034 132.101913452148 564388 100
5035 133.886932373047 2731.486328125 0.48
5036 141.13835144043 4627.3662109375 0.82
5037 142.122482299805 56002.75 9.92
5038 143.11784362793 32530.818359375 5.76
5039 152.106948852539 3150.77368164062 0.56
5040 169.13362121582 50189.1640625 8.89
5041 172.096221923828 5551.4375 0.98
5042 187.143966674805 358919.5625 63.59
5043 196.911468505859 2813.21264648438 0.5
5044 215.139007568359 55979.66796875 9.92
5045 227.10466003418 2925.60131835938 0.52
5046 233.149459838867 93581.796875 16.58
5047 233.250183105469 2942.49877929688 0.52
5048
5049 RECORD_TITLE: MZ:233.1493 | RT:66.7 | grpid:214 | file:1
5050 MS$FOCUSED_ION: PRECURSOR_M/Z 233.149337768555
5051 AC$CHROMATOGRAPHY: RETENTION_TIME 66.710418
5052 XCMS groupid (grpid): 214
5053 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
5054 PK$NUM_PEAK: 9
5055 PK$PEAK: m/z int. rel.int.
5056 101.071556091309 2493.814453125 7.69
5057 124.502639770508 2984.603515625 9.2
5058 128.410537719727 2174.90502929688 6.71
5059 132.102142333984 32436.919921875 100
5060 172.952499389648 2957.37841796875 9.12
5061 187.144561767578 15544.0390625 47.92
5062 215.140716552734 3567.82348632812 11
5063 233.149673461914 5084.97900390625 15.68
5064 253.858108520508 2743.083984375 8.46
5065
5066 RECORD_TITLE: MZ:233.1493 | RT:66.7 | grpid:214 | file:1
5067 MS$FOCUSED_ION: PRECURSOR_M/Z 233.149337768555
5068 AC$CHROMATOGRAPHY: RETENTION_TIME 66.710418
5069 XCMS groupid (grpid): 214
5070 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
5071 PK$NUM_PEAK: 9
5072 PK$PEAK: m/z int. rel.int.
5073 101.071556091309 2493.814453125 7.69
5074 124.502639770508 2984.603515625 9.2
5075 128.410537719727 2174.90502929688 6.71
5076 132.102142333984 32436.919921875 100
5077 172.952499389648 2957.37841796875 9.12
5078 187.144561767578 15544.0390625 47.92
5079 215.140716552734 3567.82348632812 11
5080 233.149673461914 5084.97900390625 15.68
5081 253.858108520508 2743.083984375 8.46
5082
5083 RECORD_TITLE: MZ:233.1493 | RT:67.6 | grpid:214 | file:2
5084 MS$FOCUSED_ION: PRECURSOR_M/Z 233.149291992188
5085 AC$CHROMATOGRAPHY: RETENTION_TIME 67.634034
5086 XCMS groupid (grpid): 214
5087 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
5088 PK$NUM_PEAK: 9
5089 PK$PEAK: m/z int. rel.int.
5090 102.055397033691 51696.87890625 30.83
5091 108.190528869629 2962.69165039062 1.77
5092 119.28791809082 3011.89086914062 1.8
5093 120.065727233887 167691.296875 100
5094 130.049560546875 22072.8984375 13.16
5095 172.952362060547 7278.1767578125 4.34
5096 187.143920898438 4654.2177734375 2.78
5097 215.138793945312 25857.91796875 15.42
5098 233.14973449707 36328.3828125 21.66
5099
5100 RECORD_TITLE: MZ:233.1493 | RT:67.6 | grpid:214 | file:2
5101 MS$FOCUSED_ION: PRECURSOR_M/Z 233.149291992188
5102 AC$CHROMATOGRAPHY: RETENTION_TIME 67.634034
5103 XCMS groupid (grpid): 214
5104 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
5105 PK$NUM_PEAK: 9
5106 PK$PEAK: m/z int. rel.int.
5107 102.055397033691 51696.87890625 30.83
5108 108.190528869629 2962.69165039062 1.77
5109 119.28791809082 3011.89086914062 1.8
5110 120.065727233887 167691.296875 100
5111 130.049560546875 22072.8984375 13.16
5112 172.952362060547 7278.1767578125 4.34
5113 187.143920898438 4654.2177734375 2.78
5114 215.138793945312 25857.91796875 15.42
5115 233.14973449707 36328.3828125 21.66
5116
5117 RECORD_TITLE: MZ:233.1492 | RT:67.6 | grpid:214 | file:2
5118 MS$FOCUSED_ION: PRECURSOR_M/Z 233.14924621582
5119 AC$CHROMATOGRAPHY: RETENTION_TIME 67.634034
5120 XCMS groupid (grpid): 214
5121 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
5122 PK$NUM_PEAK: 10
5123 PK$PEAK: m/z int. rel.int.
5124 102.055374145508 93276.1875 32.65
5125 120.06575012207 285714.625 100
5126 130.050003051758 69039.71875 24.16
5127 132.102340698242 9135.7373046875 3.2
5128 142.122619628906 8058.5205078125 2.82
5129 187.143646240234 8425.7138671875 2.95
5130 206.64485168457 4463.98486328125 1.56
5131 210.353286743164 5293.15966796875 1.85
5132 215.139358520508 40721.81640625 14.25
5133 233.149688720703 38054.04296875 13.32
5134
5135 RECORD_TITLE: MZ:233.1492 | RT:67.6 | grpid:214 | file:2
5136 MS$FOCUSED_ION: PRECURSOR_M/Z 233.14924621582
5137 AC$CHROMATOGRAPHY: RETENTION_TIME 67.634034
5138 XCMS groupid (grpid): 214
5139 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
5140 PK$NUM_PEAK: 10
5141 PK$PEAK: m/z int. rel.int.
5142 102.055374145508 93276.1875 32.65
5143 120.06575012207 285714.625 100
5144 130.050003051758 69039.71875 24.16
5145 132.102340698242 9135.7373046875 3.2
5146 142.122619628906 8058.5205078125 2.82
5147 187.143646240234 8425.7138671875 2.95
5148 206.64485168457 4463.98486328125 1.56
5149 210.353286743164 5293.15966796875 1.85
5150 215.139358520508 40721.81640625 14.25
5151 233.149688720703 38054.04296875 13.32
5152
5153 RECORD_TITLE: MZ:233.1492 | RT:67.6 | grpid:214 | file:2
5154 MS$FOCUSED_ION: PRECURSOR_M/Z 233.149185180664
5155 AC$CHROMATOGRAPHY: RETENTION_TIME 67.634034
5156 XCMS groupid (grpid): 214
5157 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
5158 PK$NUM_PEAK: 23
5159 PK$PEAK: m/z int. rel.int.
5160 101.071342468262 97423.7578125 16.65
5161 102.055519104004 4149.83447265625 0.71
5162 102.568023681641 2694.57568359375 0.46
5163 113.071311950684 13492.287109375 2.31
5164 123.613304138184 3085.32690429688 0.53
5165 124.11213684082 16775.2578125 2.87
5166 126.09156036377 6146.685546875 1.05
5167 126.127891540527 14801.251953125 2.53
5168 128.544235229492 2777.36840820312 0.47
5169 130.086166381836 5045.4287109375 0.86
5170 132.101943969727 585150.625 100
5171 141.13883972168 4284.43359375 0.73
5172 142.122772216797 57117.609375 9.76
5173 143.118026733398 33974.69140625 5.81
5174 169.133560180664 55101.19921875 9.42
5175 172.096343994141 12080.26171875 2.06
5176 178.798309326172 3285.00073242188 0.56
5177 187.143997192383 385463.53125 65.87
5178 197.128372192383 3680.0439453125 0.63
5179 215.139099121094 49366.75 8.44
5180 226.9541015625 2955.89013671875 0.51
5181 233.149444580078 86856.4140625 14.84
5182 233.187530517578 3770.36254882812 0.64
5183
5184 RECORD_TITLE: MZ:233.1492 | RT:67.6 | grpid:214 | file:2
5185 MS$FOCUSED_ION: PRECURSOR_M/Z 233.149185180664
5186 AC$CHROMATOGRAPHY: RETENTION_TIME 67.634034
5187 XCMS groupid (grpid): 214
5188 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
5189 PK$NUM_PEAK: 23
5190 PK$PEAK: m/z int. rel.int.
5191 101.071342468262 97423.7578125 16.65
5192 102.055519104004 4149.83447265625 0.71
5193 102.568023681641 2694.57568359375 0.46
5194 113.071311950684 13492.287109375 2.31
5195 123.613304138184 3085.32690429688 0.53
5196 124.11213684082 16775.2578125 2.87
5197 126.09156036377 6146.685546875 1.05
5198 126.127891540527 14801.251953125 2.53
5199 128.544235229492 2777.36840820312 0.47
5200 130.086166381836 5045.4287109375 0.86
5201 132.101943969727 585150.625 100
5202 141.13883972168 4284.43359375 0.73
5203 142.122772216797 57117.609375 9.76
5204 143.118026733398 33974.69140625 5.81
5205 169.133560180664 55101.19921875 9.42
5206 172.096343994141 12080.26171875 2.06
5207 178.798309326172 3285.00073242188 0.56
5208 187.143997192383 385463.53125 65.87
5209 197.128372192383 3680.0439453125 0.63
5210 215.139099121094 49366.75 8.44
5211 226.9541015625 2955.89013671875 0.51
5212 233.149444580078 86856.4140625 14.84
5213 233.187530517578 3770.36254882812 0.64
5214
5215 RECORD_TITLE: MZ:233.1492 | RT:67.6 | grpid:214 | file:2
5216 MS$FOCUSED_ION: PRECURSOR_M/Z 233.14924621582
5217 AC$CHROMATOGRAPHY: RETENTION_TIME 67.634034
5218 XCMS groupid (grpid): 214
5219 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
5220 PK$NUM_PEAK: 7
5221 PK$PEAK: m/z int. rel.int.
5222 125.827949523926 2453.33764648438 9.08
5223 132.101837158203 27032.3515625 100
5224 133.954803466797 2418.62817382812 8.95
5225 142.123184204102 2863.05541992188 10.59
5226 187.144226074219 16553.251953125 61.23
5227 233.150588989258 3492.63256835938 12.92
5228 233.190063476562 2942.85205078125 10.89
5229
5230 RECORD_TITLE: MZ:233.1492 | RT:67.6 | grpid:214 | file:2
5231 MS$FOCUSED_ION: PRECURSOR_M/Z 233.14924621582
5232 AC$CHROMATOGRAPHY: RETENTION_TIME 67.634034
5233 XCMS groupid (grpid): 214
5234 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
5235 PK$NUM_PEAK: 7
5236 PK$PEAK: m/z int. rel.int.
5237 125.827949523926 2453.33764648438 9.08
5238 132.101837158203 27032.3515625 100
5239 133.954803466797 2418.62817382812 8.95
5240 142.123184204102 2863.05541992188 10.59
5241 187.144226074219 16553.251953125 61.23
5242 233.150588989258 3492.63256835938 12.92
5243 233.190063476562 2942.85205078125 10.89
5244
5245 RECORD_TITLE: MZ:244.9539 | RT:41 | grpid:234 | file:1
5246 MS$FOCUSED_ION: PRECURSOR_M/Z 244.953887939453
5247 AC$CHROMATOGRAPHY: RETENTION_TIME 40.9547952
5248 XCMS groupid (grpid): 234
5249 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
5250 PK$NUM_PEAK: 10
5251 PK$PEAK: m/z int. rel.int.
5252 104.992713928223 340494.65625 100
5253 134.018981933594 6148.11669921875 1.81
5254 162.950485229492 3323.24096679688 0.98
5255 164.879348754883 2862.37036132812 0.84
5256 171.35090637207 2969.00439453125 0.87
5257 186.895538330078 3287.81958007812 0.97
5258 186.911956787109 77847.96875 22.86
5259 186.995681762695 4629.24658203125 1.36
5260 204.922775268555 61411.63671875 18.04
5261 216.667694091797 2451.92456054688 0.72
5262
5263 RECORD_TITLE: MZ:244.9539 | RT:41 | grpid:234 | file:1
5264 MS$FOCUSED_ION: PRECURSOR_M/Z 244.953887939453
5265 AC$CHROMATOGRAPHY: RETENTION_TIME 40.9547952
5266 XCMS groupid (grpid): 234
5267 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
5268 PK$NUM_PEAK: 10
5269 PK$PEAK: m/z int. rel.int.
5270 104.992713928223 340494.65625 100
5271 134.018981933594 6148.11669921875 1.81
5272 162.950485229492 3323.24096679688 0.98
5273 164.879348754883 2862.37036132812 0.84
5274 171.35090637207 2969.00439453125 0.87
5275 186.895538330078 3287.81958007812 0.97
5276 186.911956787109 77847.96875 22.86
5277 186.995681762695 4629.24658203125 1.36
5278 204.922775268555 61411.63671875 18.04
5279 216.667694091797 2451.92456054688 0.72
5280
5281 RECORD_TITLE: MZ:244.9538 | RT:41.1 | grpid:234 | file:2
5282 MS$FOCUSED_ION: PRECURSOR_M/Z 244.953842163086
5283 AC$CHROMATOGRAPHY: RETENTION_TIME 41.0984136
5284 XCMS groupid (grpid): 234
5285 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
5286 PK$NUM_PEAK: 9
5287 PK$PEAK: m/z int. rel.int.
5288 104.992698669434 416298.96875 100
5289 104.999923706055 7185.41552734375 1.73
5290 134.019241333008 22449.341796875 5.39
5291 146.019165039062 4753.09130859375 1.14
5292 162.95100402832 3315.03491210938 0.8
5293 183.394256591797 2706.86157226562 0.65
5294 186.912048339844 68123.859375 16.36
5295 186.99592590332 4615.99462890625 1.11
5296 204.922622680664 49536.19921875 11.9
5297
5298 RECORD_TITLE: MZ:244.9538 | RT:41.1 | grpid:234 | file:2
5299 MS$FOCUSED_ION: PRECURSOR_M/Z 244.953842163086
5300 AC$CHROMATOGRAPHY: RETENTION_TIME 41.0984136
5301 XCMS groupid (grpid): 234
5302 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
5303 PK$NUM_PEAK: 9
5304 PK$PEAK: m/z int. rel.int.
5305 104.992698669434 416298.96875 100
5306 104.999923706055 7185.41552734375 1.73
5307 134.019241333008 22449.341796875 5.39
5308 146.019165039062 4753.09130859375 1.14
5309 162.95100402832 3315.03491210938 0.8
5310 183.394256591797 2706.86157226562 0.65
5311 186.912048339844 68123.859375 16.36
5312 186.99592590332 4615.99462890625 1.11
5313 204.922622680664 49536.19921875 11.9
5314
5315 RECORD_TITLE: MZ:245.0764 | RT:83.4 | grpid:235 | file:1
5316 MS$FOCUSED_ION: PRECURSOR_M/Z 245.076446533203
5317 AC$CHROMATOGRAPHY: RETENTION_TIME 83.441172
5318 XCMS groupid (grpid): 235
5319 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
5320 PK$NUM_PEAK: 8
5321 PK$PEAK: m/z int. rel.int.
5322 102.847290039062 7233.47998046875 0.33
5323 103.039291381836 12718.3603515625 0.58
5324 113.034873962402 2177657.75 100
5325 115.039009094238 51866.30859375 2.38
5326 127.821929931641 6439.4697265625 0.3
5327 133.049758911133 79959.2890625 3.67
5328 183.691345214844 6732.88623046875 0.31
5329 245.160766601562 16266.2109375 0.75
5330
5331 RECORD_TITLE: MZ:245.0764 | RT:83.4 | grpid:235 | file:1
5332 MS$FOCUSED_ION: PRECURSOR_M/Z 245.076446533203
5333 AC$CHROMATOGRAPHY: RETENTION_TIME 83.441172
5334 XCMS groupid (grpid): 235
5335 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
5336 PK$NUM_PEAK: 8
5337 PK$PEAK: m/z int. rel.int.
5338 102.847290039062 7233.47998046875 0.33
5339 103.039291381836 12718.3603515625 0.58
5340 113.034873962402 2177657.75 100
5341 115.039009094238 51866.30859375 2.38
5342 127.821929931641 6439.4697265625 0.3
5343 133.049758911133 79959.2890625 3.67
5344 183.691345214844 6732.88623046875 0.31
5345 245.160766601562 16266.2109375 0.75
5346
5347 RECORD_TITLE: MZ:245.0765 | RT:83.6 | grpid:235 | file:2
5348 MS$FOCUSED_ION: PRECURSOR_M/Z 245.076461791992
5349 AC$CHROMATOGRAPHY: RETENTION_TIME 83.64567
5350 XCMS groupid (grpid): 235
5351 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
5352 PK$NUM_PEAK: 9
5353 PK$PEAK: m/z int. rel.int.
5354 103.039436340332 8101.8408203125 0.42
5355 113.034912109375 1941275.5 100
5356 115.039443969727 48567.2734375 2.5
5357 133.049758911133 52039.21875 2.68
5358 137.333404541016 5343.7626953125 0.28
5359 149.172576904297 5415.865234375 0.28
5360 158.082015991211 5685.69775390625 0.29
5361 245.160354614258 20578.3828125 1.06
5362 269.657653808594 5373.13623046875 0.28
5363
5364 RECORD_TITLE: MZ:245.0765 | RT:83.6 | grpid:235 | file:2
5365 MS$FOCUSED_ION: PRECURSOR_M/Z 245.076461791992
5366 AC$CHROMATOGRAPHY: RETENTION_TIME 83.64567
5367 XCMS groupid (grpid): 235
5368 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
5369 PK$NUM_PEAK: 9
5370 PK$PEAK: m/z int. rel.int.
5371 103.039436340332 8101.8408203125 0.42
5372 113.034912109375 1941275.5 100
5373 115.039443969727 48567.2734375 2.5
5374 133.049758911133 52039.21875 2.68
5375 137.333404541016 5343.7626953125 0.28
5376 149.172576904297 5415.865234375 0.28
5377 158.082015991211 5685.69775390625 0.29
5378 245.160354614258 20578.3828125 1.06
5379 269.657653808594 5373.13623046875 0.28
5380
5381 RECORD_TITLE: MZ:246.1445 | RT:56 | grpid:238 | file:1
5382 MS$FOCUSED_ION: PRECURSOR_M/Z 246.14453125
5383 AC$CHROMATOGRAPHY: RETENTION_TIME 56.048412
5384 XCMS groupid (grpid): 238
5385 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
5386 PK$NUM_PEAK: 39
5387 PK$PEAK: m/z int. rel.int.
5388 100.075866699219 14307.3046875 1.48
5389 101.071304321289 77612.53125 8.03
5390 101.107765197754 13628.1044921875 1.41
5391 102.055305480957 13994.3603515625 1.45
5392 111.054954528809 3121.79370117188 0.32
5393 112.087295532227 36104.33984375 3.74
5394 116.070602416992 5924.2724609375 0.61
5395 117.102523803711 32440.0546875 3.36
5396 118.086433410645 58407.17578125 6.04
5397 129.102493286133 109578.2734375 11.34
5398 129.113220214844 14699.2412109375 1.52
5399 130.049942016602 930876.8125 96.3
5400 130.086334228516 158307.53125 16.38
5401 137.720031738281 2940.19921875 0.3
5402 138.091659545898 2857.93823242188 0.3
5403 138.102661132812 12444.765625 1.29
5404 147.076354980469 966629.375 100
5405 147.112716674805 187215.6875 19.37
5406 158.09211730957 3689.1044921875 0.38
5407 162.474563598633 2948.10424804688 0.3
5408 171.075454711914 5850.251953125 0.61
5409 172.887664794922 3349.94604492188 0.35
5410 173.957077026367 3202.59350585938 0.33
5411 175.118850708008 4633.72509765625 0.48
5412 175.700073242188 2696.47802734375 0.28
5413 182.128219604492 12645.0830078125 1.31
5414 183.112380981445 35901.765625 3.71
5415 184.344192504883 2776.12524414062 0.29
5416 194.080612182617 4284.95703125 0.44
5417 196.987716674805 2927.38989257812 0.3
5418 200.047790527344 22924.576171875 2.37
5419 211.107360839844 5091.181640625 0.53
5420 228.134506225586 30204.845703125 3.12
5421 228.170013427734 5492.08544921875 0.57
5422 229.117797851562 21251.548828125 2.2
5423 229.153762817383 7065.13134765625 0.73
5424 246.055068969727 24465.38671875 2.53
5425 246.142868041992 33020.84375 3.42
5426 246.180923461914 44765.84375 4.63
5427
5428 RECORD_TITLE: MZ:246.1445 | RT:56 | grpid:238 | file:1
5429 MS$FOCUSED_ION: PRECURSOR_M/Z 246.14453125
5430 AC$CHROMATOGRAPHY: RETENTION_TIME 56.048412
5431 XCMS groupid (grpid): 238
5432 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
5433 PK$NUM_PEAK: 39
5434 PK$PEAK: m/z int. rel.int.
5435 100.075866699219 14307.3046875 1.48
5436 101.071304321289 77612.53125 8.03
5437 101.107765197754 13628.1044921875 1.41
5438 102.055305480957 13994.3603515625 1.45
5439 111.054954528809 3121.79370117188 0.32
5440 112.087295532227 36104.33984375 3.74
5441 116.070602416992 5924.2724609375 0.61
5442 117.102523803711 32440.0546875 3.36
5443 118.086433410645 58407.17578125 6.04
5444 129.102493286133 109578.2734375 11.34
5445 129.113220214844 14699.2412109375 1.52
5446 130.049942016602 930876.8125 96.3
5447 130.086334228516 158307.53125 16.38
5448 137.720031738281 2940.19921875 0.3
5449 138.091659545898 2857.93823242188 0.3
5450 138.102661132812 12444.765625 1.29
5451 147.076354980469 966629.375 100
5452 147.112716674805 187215.6875 19.37
5453 158.09211730957 3689.1044921875 0.38
5454 162.474563598633 2948.10424804688 0.3
5455 171.075454711914 5850.251953125 0.61
5456 172.887664794922 3349.94604492188 0.35
5457 173.957077026367 3202.59350585938 0.33
5458 175.118850708008 4633.72509765625 0.48
5459 175.700073242188 2696.47802734375 0.28
5460 182.128219604492 12645.0830078125 1.31
5461 183.112380981445 35901.765625 3.71
5462 184.344192504883 2776.12524414062 0.29
5463 194.080612182617 4284.95703125 0.44
5464 196.987716674805 2927.38989257812 0.3
5465 200.047790527344 22924.576171875 2.37
5466 211.107360839844 5091.181640625 0.53
5467 228.134506225586 30204.845703125 3.12
5468 228.170013427734 5492.08544921875 0.57
5469 229.117797851562 21251.548828125 2.2
5470 229.153762817383 7065.13134765625 0.73
5471 246.055068969727 24465.38671875 2.53
5472 246.142868041992 33020.84375 3.42
5473 246.180923461914 44765.84375 4.63
5474
5475 RECORD_TITLE: MZ:246.1446 | RT:56.2 | grpid:238 | file:2
5476 MS$FOCUSED_ION: PRECURSOR_M/Z 246.144577026367
5477 AC$CHROMATOGRAPHY: RETENTION_TIME 56.1655458
5478 XCMS groupid (grpid): 238
5479 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
5480 PK$NUM_PEAK: 40
5481 PK$PEAK: m/z int. rel.int.
5482 100.076126098633 13507.232421875 1.34
5483 101.071449279785 79448.5546875 7.91
5484 101.10791015625 12414.9365234375 1.24
5485 102.055488586426 7000.93603515625 0.7
5486 105.111312866211 3550.4013671875 0.35
5487 111.055686950684 4715.681640625 0.47
5488 112.087326049805 31429.337890625 3.13
5489 116.071029663086 5825.57421875 0.58
5490 117.074378967285 4742.4384765625 0.47
5491 117.10237121582 36997.4921875 3.68
5492 118.086387634277 61979.0078125 6.17
5493 127.533218383789 3126.70092773438 0.31
5494 129.102493286133 119557.765625 11.9
5495 129.113388061523 17992.248046875 1.79
5496 130.049987792969 894460.25 89
5497 130.086349487305 163269.09375 16.25
5498 130.096298217773 5541.70068359375 0.55
5499 138.091659545898 4977.36181640625 0.5
5500 138.102569580078 10837.1796875 1.08
5501 144.558670043945 3019.34936523438 0.3
5502 147.076416015625 1005005 100
5503 147.112762451172 190010.625 18.91
5504 156.300552368164 3563.12890625 0.35
5505 158.09245300293 3216.63720703125 0.32
5506 171.076248168945 3413.69702148438 0.34
5507 177.550689697266 3003.36254882812 0.3
5508 183.11262512207 28672.052734375 2.85
5509 190.794464111328 3111.716796875 0.31
5510 194.081283569336 3054.80810546875 0.3
5511 200.048919677734 17289.095703125 1.72
5512 211.143585205078 4624.5439453125 0.46
5513 214.018432617188 2903.59130859375 0.29
5514 228.133575439453 33692.7421875 3.35
5515 229.118698120117 35895.65234375 3.57
5516 229.154357910156 6166.2578125 0.61
5517 246.05500793457 10908.7216796875 1.09
5518 246.14274597168 40747.77734375 4.05
5519 246.180313110352 44600.65625 4.44
5520 246.202621459961 5074.580078125 0.5
5521 262.875 3137.12841796875 0.31
5522
5523 RECORD_TITLE: MZ:246.1446 | RT:56.2 | grpid:238 | file:2
5524 MS$FOCUSED_ION: PRECURSOR_M/Z 246.144577026367
5525 AC$CHROMATOGRAPHY: RETENTION_TIME 56.1655458
5526 XCMS groupid (grpid): 238
5527 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
5528 PK$NUM_PEAK: 40
5529 PK$PEAK: m/z int. rel.int.
5530 100.076126098633 13507.232421875 1.34
5531 101.071449279785 79448.5546875 7.91
5532 101.10791015625 12414.9365234375 1.24
5533 102.055488586426 7000.93603515625 0.7
5534 105.111312866211 3550.4013671875 0.35
5535 111.055686950684 4715.681640625 0.47
5536 112.087326049805 31429.337890625 3.13
5537 116.071029663086 5825.57421875 0.58
5538 117.074378967285 4742.4384765625 0.47
5539 117.10237121582 36997.4921875 3.68
5540 118.086387634277 61979.0078125 6.17
5541 127.533218383789 3126.70092773438 0.31
5542 129.102493286133 119557.765625 11.9
5543 129.113388061523 17992.248046875 1.79
5544 130.049987792969 894460.25 89
5545 130.086349487305 163269.09375 16.25
5546 130.096298217773 5541.70068359375 0.55
5547 138.091659545898 4977.36181640625 0.5
5548 138.102569580078 10837.1796875 1.08
5549 144.558670043945 3019.34936523438 0.3
5550 147.076416015625 1005005 100
5551 147.112762451172 190010.625 18.91
5552 156.300552368164 3563.12890625 0.35
5553 158.09245300293 3216.63720703125 0.32
5554 171.076248168945 3413.69702148438 0.34
5555 177.550689697266 3003.36254882812 0.3
5556 183.11262512207 28672.052734375 2.85
5557 190.794464111328 3111.716796875 0.31
5558 194.081283569336 3054.80810546875 0.3
5559 200.048919677734 17289.095703125 1.72
5560 211.143585205078 4624.5439453125 0.46
5561 214.018432617188 2903.59130859375 0.29
5562 228.133575439453 33692.7421875 3.35
5563 229.118698120117 35895.65234375 3.57
5564 229.154357910156 6166.2578125 0.61
5565 246.05500793457 10908.7216796875 1.09
5566 246.14274597168 40747.77734375 4.05
5567 246.180313110352 44600.65625 4.44
5568 246.202621459961 5074.580078125 0.5
5569 262.875 3137.12841796875 0.31
5570
5571 RECORD_TITLE: MZ:247.1285 | RT:62.9 | grpid:241 | file:1
5572 MS$FOCUSED_ION: PRECURSOR_M/Z 247.128524780273
5573 AC$CHROMATOGRAPHY: RETENTION_TIME 62.924034
5574 XCMS groupid (grpid): 241
5575 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
5576 PK$NUM_PEAK: 30
5577 PK$PEAK: m/z int. rel.int.
5578 101.071533203125 4915.9921875 2.23
5579 102.055526733398 17999.03515625 8.16
5580 112.087356567383 18231.693359375 8.27
5581 113.090782165527 3811.66333007812 1.73
5582 118.086524963379 220550.984375 100
5583 129.103302001953 4632.9462890625 2.1
5584 130.050018310547 63388.43359375 28.74
5585 130.087036132812 11824.09375 5.36
5586 130.097747802734 67087.765625 30.42
5587 130.10612487793 9013.638671875 4.09
5588 130.88395690918 3057.10424804688 1.39
5589 131.053588867188 45934.31640625 20.83
5590 131.090026855469 14938.9189453125 6.77
5591 134.044509887695 25767.728515625 11.68
5592 138.091735839844 3246.8876953125 1.47
5593 146.360244750977 2722.07177734375 1.23
5594 147.076461791992 66293.1015625 30.06
5595 147.113372802734 7142.50048828125 3.24
5596 148.061431884766 6891.27197265625 3.12
5597 148.080047607422 61795.8515625 28.02
5598 148.116592407227 6220.20751953125 2.82
5599 160.0341796875 28294.21484375 12.83
5600 183.112808227539 76318.3125 34.6
5601 211.109375 4621.84033203125 2.1
5602 217.056274414062 12258.8408203125 5.56
5603 229.03205871582 3768.45849609375 1.71
5604 229.119094848633 17402.88671875 7.89
5605 247.04118347168 6746.8359375 3.06
5606 247.12890625 16844.4296875 7.64
5607 247.185424804688 4080.24975585938 1.85
5608
5609 RECORD_TITLE: MZ:247.1285 | RT:62.9 | grpid:241 | file:1
5610 MS$FOCUSED_ION: PRECURSOR_M/Z 247.128524780273
5611 AC$CHROMATOGRAPHY: RETENTION_TIME 62.924034
5612 XCMS groupid (grpid): 241
5613 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
5614 PK$NUM_PEAK: 30
5615 PK$PEAK: m/z int. rel.int.
5616 101.071533203125 4915.9921875 2.23
5617 102.055526733398 17999.03515625 8.16
5618 112.087356567383 18231.693359375 8.27
5619 113.090782165527 3811.66333007812 1.73
5620 118.086524963379 220550.984375 100
5621 129.103302001953 4632.9462890625 2.1
5622 130.050018310547 63388.43359375 28.74
5623 130.087036132812 11824.09375 5.36
5624 130.097747802734 67087.765625 30.42
5625 130.10612487793 9013.638671875 4.09
5626 130.88395690918 3057.10424804688 1.39
5627 131.053588867188 45934.31640625 20.83
5628 131.090026855469 14938.9189453125 6.77
5629 134.044509887695 25767.728515625 11.68
5630 138.091735839844 3246.8876953125 1.47
5631 146.360244750977 2722.07177734375 1.23
5632 147.076461791992 66293.1015625 30.06
5633 147.113372802734 7142.50048828125 3.24
5634 148.061431884766 6891.27197265625 3.12
5635 148.080047607422 61795.8515625 28.02
5636 148.116592407227 6220.20751953125 2.82
5637 160.0341796875 28294.21484375 12.83
5638 183.112808227539 76318.3125 34.6
5639 211.109375 4621.84033203125 2.1
5640 217.056274414062 12258.8408203125 5.56
5641 229.03205871582 3768.45849609375 1.71
5642 229.119094848633 17402.88671875 7.89
5643 247.04118347168 6746.8359375 3.06
5644 247.12890625 16844.4296875 7.64
5645 247.185424804688 4080.24975585938 1.85
5646
5647 RECORD_TITLE: MZ:247.1286 | RT:62.9 | grpid:241 | file:1
5648 MS$FOCUSED_ION: PRECURSOR_M/Z 247.128555297852
5649 AC$CHROMATOGRAPHY: RETENTION_TIME 62.924034
5650 XCMS groupid (grpid): 241
5651 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
5652 PK$NUM_PEAK: 15
5653 PK$PEAK: m/z int. rel.int.
5654 109.101608276367 2677.603515625 10.74
5655 112.037132263184 24922.798828125 100
5656 126.405822753906 2260.37182617188 9.07
5657 134.507843017578 2369.63403320312 9.51
5658 150.067886352539 2649.77758789062 10.63
5659 154.145935058594 2689.52221679688 10.79
5660 157.004974365234 2465.52807617188 9.89
5661 160.048294067383 3230.96533203125 12.96
5662 193.122848510742 13635.9755859375 54.71
5663 198.204879760742 2759.31298828125 11.07
5664 205.472229003906 2472.44360351562 9.92
5665 232.068283081055 2996.47729492188 12.02
5666 249.095306396484 18998.556640625 76.23
5667 249.184753417969 6276.87939453125 25.19
5668 253.000381469727 2692.25341796875 10.8
5669
5670 RECORD_TITLE: MZ:247.1286 | RT:62.9 | grpid:241 | file:1
5671 MS$FOCUSED_ION: PRECURSOR_M/Z 247.128555297852
5672 AC$CHROMATOGRAPHY: RETENTION_TIME 62.924034
5673 XCMS groupid (grpid): 241
5674 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
5675 PK$NUM_PEAK: 15
5676 PK$PEAK: m/z int. rel.int.
5677 109.101608276367 2677.603515625 10.74
5678 112.037132263184 24922.798828125 100
5679 126.405822753906 2260.37182617188 9.07
5680 134.507843017578 2369.63403320312 9.51
5681 150.067886352539 2649.77758789062 10.63
5682 154.145935058594 2689.52221679688 10.79
5683 157.004974365234 2465.52807617188 9.89
5684 160.048294067383 3230.96533203125 12.96
5685 193.122848510742 13635.9755859375 54.71
5686 198.204879760742 2759.31298828125 11.07
5687 205.472229003906 2472.44360351562 9.92
5688 232.068283081055 2996.47729492188 12.02
5689 249.095306396484 18998.556640625 76.23
5690 249.184753417969 6276.87939453125 25.19
5691 253.000381469727 2692.25341796875 10.8
5692
5693 RECORD_TITLE: MZ:247.1285 | RT:62.9 | grpid:241 | file:1
5694 MS$FOCUSED_ION: PRECURSOR_M/Z 247.128494262695
5695 AC$CHROMATOGRAPHY: RETENTION_TIME 62.924034
5696 XCMS groupid (grpid): 241
5697 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
5698 PK$NUM_PEAK: 33
5699 PK$PEAK: m/z int. rel.int.
5700 100.039733886719 12922.361328125 3
5701 110.016410827637 4399.591796875 1.02
5702 110.023979187012 105860 24.6
5703 110.096382141113 3855.55981445312 0.9
5704 113.107551574707 78384.8984375 18.22
5705 115.050552368164 45442.77734375 10.56
5706 124.03173828125 3966.55126953125 0.92
5707 124.039169311523 29841.650390625 6.94
5708 126.055000305176 5601.46630859375 1.3
5709 127.050636291504 3003.63354492188 0.7
5710 132.101943969727 430244.25 100
5711 133.060958862305 27673.70703125 6.43
5712 134.064041137695 14767.8623046875 3.43
5713 138.091583251953 23510.8125 5.46
5714 141.102172851562 262265.71875 60.96
5715 142.086166381836 4546.0771484375 1.06
5716 143.117477416992 4414.91357421875 1.03
5717 144.121887207031 4809.23046875 1.12
5718 155.117782592773 18610.294921875 4.33
5719 156.101867675781 53450.71484375 12.42
5720 159.058746337891 3053.46411132812 0.71
5721 166.08625793457 186577.9375 43.37
5722 169.097915649414 14180.6708984375 3.3
5723 174.839401245117 3326.54638671875 0.77
5724 183.112579345703 46416.62890625 10.79
5725 184.096862792969 39137.8671875 9.1
5726 187.107604980469 101419.1953125 23.57
5727 201.123260498047 272059.1875 63.23
5728 211.071578979492 4047.69848632812 0.94
5729 212.091552734375 80220.359375 18.65
5730 229.118896484375 12313.20703125 2.86
5731 247.129196166992 18728.529296875 4.35
5732 247.165390014648 5324.00341796875 1.24
5733
5734 RECORD_TITLE: MZ:247.1285 | RT:62.9 | grpid:241 | file:1
5735 MS$FOCUSED_ION: PRECURSOR_M/Z 247.128494262695
5736 AC$CHROMATOGRAPHY: RETENTION_TIME 62.924034
5737 XCMS groupid (grpid): 241
5738 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
5739 PK$NUM_PEAK: 33
5740 PK$PEAK: m/z int. rel.int.
5741 100.039733886719 12922.361328125 3
5742 110.016410827637 4399.591796875 1.02
5743 110.023979187012 105860 24.6
5744 110.096382141113 3855.55981445312 0.9
5745 113.107551574707 78384.8984375 18.22
5746 115.050552368164 45442.77734375 10.56
5747 124.03173828125 3966.55126953125 0.92
5748 124.039169311523 29841.650390625 6.94
5749 126.055000305176 5601.46630859375 1.3
5750 127.050636291504 3003.63354492188 0.7
5751 132.101943969727 430244.25 100
5752 133.060958862305 27673.70703125 6.43
5753 134.064041137695 14767.8623046875 3.43
5754 138.091583251953 23510.8125 5.46
5755 141.102172851562 262265.71875 60.96
5756 142.086166381836 4546.0771484375 1.06
5757 143.117477416992 4414.91357421875 1.03
5758 144.121887207031 4809.23046875 1.12
5759 155.117782592773 18610.294921875 4.33
5760 156.101867675781 53450.71484375 12.42
5761 159.058746337891 3053.46411132812 0.71
5762 166.08625793457 186577.9375 43.37
5763 169.097915649414 14180.6708984375 3.3
5764 174.839401245117 3326.54638671875 0.77
5765 183.112579345703 46416.62890625 10.79
5766 184.096862792969 39137.8671875 9.1
5767 187.107604980469 101419.1953125 23.57
5768 201.123260498047 272059.1875 63.23
5769 211.071578979492 4047.69848632812 0.94
5770 212.091552734375 80220.359375 18.65
5771 229.118896484375 12313.20703125 2.86
5772 247.129196166992 18728.529296875 4.35
5773 247.165390014648 5324.00341796875 1.24
5774
5775 RECORD_TITLE: MZ:247.1286 | RT:63.1 | grpid:241 | file:2
5776 MS$FOCUSED_ION: PRECURSOR_M/Z 247.128570556641
5777 AC$CHROMATOGRAPHY: RETENTION_TIME 63.078168
5778 XCMS groupid (grpid): 241
5779 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
5780 PK$NUM_PEAK: 31
5781 PK$PEAK: m/z int. rel.int.
5782 102.055419921875 13477.2587890625 6.38
5783 112.087196350098 21468.986328125 10.16
5784 118.086456298828 211227.515625 100
5785 129.102722167969 4764.44580078125 2.26
5786 130.049957275391 69090.96875 32.71
5787 130.086669921875 13241.359375 6.27
5788 130.097686767578 65608.203125 31.06
5789 130.106018066406 8941.12890625 4.23
5790 131.053649902344 63589.81640625 30.1
5791 131.089904785156 10938.1142578125 5.18
5792 134.044998168945 20733.888671875 9.82
5793 138.092834472656 2852.19946289062 1.35
5794 147.076293945312 64659.62109375 30.61
5795 147.113296508789 17257.7421875 8.17
5796 148.060928344727 14010.34765625 6.63
5797 148.080200195312 71281.28125 33.75
5798 148.11637878418 15297.1376953125 7.24
5799 155.117889404297 3927.92236328125 1.86
5800 155.703384399414 2784.28930664062 1.32
5801 160.034820556641 24992.818359375 11.83
5802 164.929946899414 3443.31860351562 1.63
5803 169.674926757812 3342.94409179688 1.58
5804 183.112823486328 73128.03125 34.62
5805 217.056488037109 13811.8203125 6.54
5806 229.03271484375 4092.55541992188 1.94
5807 229.118270874023 17113.9921875 8.1
5808 239.218215942383 3813.77709960938 1.81
5809 247.043273925781 11689.3798828125 5.53
5810 247.066665649414 4645.0556640625 2.2
5811 247.128723144531 19147.109375 9.06
5812 247.185501098633 4294.36669921875 2.03
5813
5814 RECORD_TITLE: MZ:247.1286 | RT:63.1 | grpid:241 | file:2
5815 MS$FOCUSED_ION: PRECURSOR_M/Z 247.128570556641
5816 AC$CHROMATOGRAPHY: RETENTION_TIME 63.078168
5817 XCMS groupid (grpid): 241
5818 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
5819 PK$NUM_PEAK: 31
5820 PK$PEAK: m/z int. rel.int.
5821 102.055419921875 13477.2587890625 6.38
5822 112.087196350098 21468.986328125 10.16
5823 118.086456298828 211227.515625 100
5824 129.102722167969 4764.44580078125 2.26
5825 130.049957275391 69090.96875 32.71
5826 130.086669921875 13241.359375 6.27
5827 130.097686767578 65608.203125 31.06
5828 130.106018066406 8941.12890625 4.23
5829 131.053649902344 63589.81640625 30.1
5830 131.089904785156 10938.1142578125 5.18
5831 134.044998168945 20733.888671875 9.82
5832 138.092834472656 2852.19946289062 1.35
5833 147.076293945312 64659.62109375 30.61
5834 147.113296508789 17257.7421875 8.17
5835 148.060928344727 14010.34765625 6.63
5836 148.080200195312 71281.28125 33.75
5837 148.11637878418 15297.1376953125 7.24
5838 155.117889404297 3927.92236328125 1.86
5839 155.703384399414 2784.28930664062 1.32
5840 160.034820556641 24992.818359375 11.83
5841 164.929946899414 3443.31860351562 1.63
5842 169.674926757812 3342.94409179688 1.58
5843 183.112823486328 73128.03125 34.62
5844 217.056488037109 13811.8203125 6.54
5845 229.03271484375 4092.55541992188 1.94
5846 229.118270874023 17113.9921875 8.1
5847 239.218215942383 3813.77709960938 1.81
5848 247.043273925781 11689.3798828125 5.53
5849 247.066665649414 4645.0556640625 2.2
5850 247.128723144531 19147.109375 9.06
5851 247.185501098633 4294.36669921875 2.03
5852
5853 RECORD_TITLE: MZ:247.1284 | RT:63.1 | grpid:241 | file:2
5854 MS$FOCUSED_ION: PRECURSOR_M/Z 247.12841796875
5855 AC$CHROMATOGRAPHY: RETENTION_TIME 63.078168
5856 XCMS groupid (grpid): 241
5857 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
5858 PK$NUM_PEAK: 16
5859 PK$PEAK: m/z int. rel.int.
5860 109.10139465332 3096.30078125 17.6
5861 111.782005310059 2370.93627929688 13.48
5862 112.037254333496 16103.5498046875 91.54
5863 119.814743041992 2135.421875 12.14
5864 131.267974853516 2664.68774414062 15.15
5865 135.015426635742 2635.43310546875 14.98
5866 144.065002441406 2312.09887695312 13.14
5867 159.075958251953 2911.9580078125 16.55
5868 161.096008300781 6006.62109375 34.14
5869 176.302444458008 2841.53466796875 16.15
5870 178.059234619141 5622.9130859375 31.96
5871 193.122680664062 17592.4453125 100
5872 232.072952270508 2832.11767578125 16.1
5873 238.186141967773 2708.92797851562 15.4
5874 249.096389770508 13837.796875 78.66
5875 249.184692382812 3012.81860351562 17.13
5876
5877 RECORD_TITLE: MZ:247.1284 | RT:63.1 | grpid:241 | file:2
5878 MS$FOCUSED_ION: PRECURSOR_M/Z 247.12841796875
5879 AC$CHROMATOGRAPHY: RETENTION_TIME 63.078168
5880 XCMS groupid (grpid): 241
5881 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
5882 PK$NUM_PEAK: 16
5883 PK$PEAK: m/z int. rel.int.
5884 109.10139465332 3096.30078125 17.6
5885 111.782005310059 2370.93627929688 13.48
5886 112.037254333496 16103.5498046875 91.54
5887 119.814743041992 2135.421875 12.14
5888 131.267974853516 2664.68774414062 15.15
5889 135.015426635742 2635.43310546875 14.98
5890 144.065002441406 2312.09887695312 13.14
5891 159.075958251953 2911.9580078125 16.55
5892 161.096008300781 6006.62109375 34.14
5893 176.302444458008 2841.53466796875 16.15
5894 178.059234619141 5622.9130859375 31.96
5895 193.122680664062 17592.4453125 100
5896 232.072952270508 2832.11767578125 16.1
5897 238.186141967773 2708.92797851562 15.4
5898 249.096389770508 13837.796875 78.66
5899 249.184692382812 3012.81860351562 17.13
5900
5901 RECORD_TITLE: MZ:247.1285 | RT:63.1 | grpid:241 | file:2
5902 MS$FOCUSED_ION: PRECURSOR_M/Z 247.128540039062
5903 AC$CHROMATOGRAPHY: RETENTION_TIME 63.078168
5904 XCMS groupid (grpid): 241
5905 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
5906 PK$NUM_PEAK: 34
5907 PK$PEAK: m/z int. rel.int.
5908 100.039810180664 16230.130859375 2.51
5909 100.129455566406 3088.31616210938 0.48
5910 109.224807739258 3134.384765625 0.48
5911 110.024040222168 172038.890625 26.57
5912 110.097229003906 3709.59545898438 0.57
5913 113.107681274414 139519.890625 21.54
5914 115.050537109375 42305.17578125 6.53
5915 115.075965881348 3120.34985351562 0.48
5916 124.039505004883 33093.234375 5.11
5917 124.112640380859 4744.0634765625 0.73
5918 127.050514221191 6785.62939453125 1.05
5919 132.102005004883 647576.625 100
5920 133.060791015625 20392.81640625 3.15
5921 134.064590454102 6011.63232421875 0.93
5922 138.091461181641 34649.21875 5.35
5923 141.10221862793 376578.21875 58.15
5924 142.086898803711 5985.953125 0.92
5925 155.117828369141 26456.58984375 4.09
5926 156.101928710938 77247.6171875 11.93
5927 157.060485839844 3439.94970703125 0.53
5928 159.059173583984 3302.8623046875 0.51
5929 166.08625793457 309187.65625 47.75
5930 169.097244262695 20175.3828125 3.12
5931 183.112716674805 75154.6640625 11.61
5932 184.09684753418 43417.96484375 6.7
5933 187.107696533203 151877.21875 23.45
5934 201.123336791992 386774.53125 59.73
5935 211.071746826172 4007.6142578125 0.62
5936 211.107727050781 3803.70727539062 0.59
5937 212.091644287109 137084.6875 21.17
5938 214.482971191406 3311.51025390625 0.51
5939 229.118530273438 14333.751953125 2.21
5940 247.128860473633 24032.13671875 3.71
5941 247.165985107422 4345.8564453125 0.67
5942
5943 RECORD_TITLE: MZ:247.1285 | RT:63.1 | grpid:241 | file:2
5944 MS$FOCUSED_ION: PRECURSOR_M/Z 247.128540039062
5945 AC$CHROMATOGRAPHY: RETENTION_TIME 63.078168
5946 XCMS groupid (grpid): 241
5947 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
5948 PK$NUM_PEAK: 34
5949 PK$PEAK: m/z int. rel.int.
5950 100.039810180664 16230.130859375 2.51
5951 100.129455566406 3088.31616210938 0.48
5952 109.224807739258 3134.384765625 0.48
5953 110.024040222168 172038.890625 26.57
5954 110.097229003906 3709.59545898438 0.57
5955 113.107681274414 139519.890625 21.54
5956 115.050537109375 42305.17578125 6.53
5957 115.075965881348 3120.34985351562 0.48
5958 124.039505004883 33093.234375 5.11
5959 124.112640380859 4744.0634765625 0.73
5960 127.050514221191 6785.62939453125 1.05
5961 132.102005004883 647576.625 100
5962 133.060791015625 20392.81640625 3.15
5963 134.064590454102 6011.63232421875 0.93
5964 138.091461181641 34649.21875 5.35
5965 141.10221862793 376578.21875 58.15
5966 142.086898803711 5985.953125 0.92
5967 155.117828369141 26456.58984375 4.09
5968 156.101928710938 77247.6171875 11.93
5969 157.060485839844 3439.94970703125 0.53
5970 159.059173583984 3302.8623046875 0.51
5971 166.08625793457 309187.65625 47.75
5972 169.097244262695 20175.3828125 3.12
5973 183.112716674805 75154.6640625 11.61
5974 184.09684753418 43417.96484375 6.7
5975 187.107696533203 151877.21875 23.45
5976 201.123336791992 386774.53125 59.73
5977 211.071746826172 4007.6142578125 0.62
5978 211.107727050781 3803.70727539062 0.59
5979 212.091644287109 137084.6875 21.17
5980 214.482971191406 3311.51025390625 0.51
5981 229.118530273438 14333.751953125 2.21
5982 247.128860473633 24032.13671875 3.71
5983 247.165985107422 4345.8564453125 0.67
5984
5985 RECORD_TITLE: MZ:249.0956 | RT:43.9 | grpid:246 | file:1
5986 MS$FOCUSED_ION: PRECURSOR_M/Z 249.095626831055
5987 AC$CHROMATOGRAPHY: RETENTION_TIME 43.9150368
5988 XCMS groupid (grpid): 246
5989 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
5990 PK$NUM_PEAK: 27
5991 PK$PEAK: m/z int. rel.int.
5992 100.417434692383 3012.53979492188 0.25
5993 110.071434020996 52747.71484375 4.38
5994 112.03719329834 1204596.875 100
5995 112.310897827148 3575.49780273438 0.3
5996 120.003074645996 4209.83837890625 0.35
5997 120.065299987793 4691.2216796875 0.39
5998 125.015129089355 3768.94604492188 0.31
5999 130.047882080078 4939.74560546875 0.41
6000 132.053253173828 159884.984375 13.27
6001 133.03694152832 28776.453125 2.39
6002 147.712509155273 3520.52807617188 0.29
6003 153.063125610352 8966.9013671875 0.74
6004 155.546905517578 4072.21923828125 0.34
6005 157.506332397461 3476.060546875 0.29
6006 160.048065185547 216563.09375 17.98
6007 173.02961730957 17807.7265625 1.48
6008 178.05859375 386586.875 32.09
6009 187.09553527832 13148.18359375 1.09
6010 191.040130615234 161698.859375 13.42
6011 191.058059692383 6976.28173828125 0.58
6012 191.076446533203 57719.375 4.79
6013 193.122222900391 8479.275390625 0.7
6014 201.073806762695 8188.94873046875 0.68
6015 203.09098815918 35861.9765625 2.98
6016 232.06901550293 202170.046875 16.78
6017 249.095581054688 864044.125 71.73
6018 256.981597900391 3960.87768554688 0.33
6019
6020 RECORD_TITLE: MZ:249.0956 | RT:43.9 | grpid:246 | file:1
6021 MS$FOCUSED_ION: PRECURSOR_M/Z 249.095626831055
6022 AC$CHROMATOGRAPHY: RETENTION_TIME 43.9150368
6023 XCMS groupid (grpid): 246
6024 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
6025 PK$NUM_PEAK: 27
6026 PK$PEAK: m/z int. rel.int.
6027 100.417434692383 3012.53979492188 0.25
6028 110.071434020996 52747.71484375 4.38
6029 112.03719329834 1204596.875 100
6030 112.310897827148 3575.49780273438 0.3
6031 120.003074645996 4209.83837890625 0.35
6032 120.065299987793 4691.2216796875 0.39
6033 125.015129089355 3768.94604492188 0.31
6034 130.047882080078 4939.74560546875 0.41
6035 132.053253173828 159884.984375 13.27
6036 133.03694152832 28776.453125 2.39
6037 147.712509155273 3520.52807617188 0.29
6038 153.063125610352 8966.9013671875 0.74
6039 155.546905517578 4072.21923828125 0.34
6040 157.506332397461 3476.060546875 0.29
6041 160.048065185547 216563.09375 17.98
6042 173.02961730957 17807.7265625 1.48
6043 178.05859375 386586.875 32.09
6044 187.09553527832 13148.18359375 1.09
6045 191.040130615234 161698.859375 13.42
6046 191.058059692383 6976.28173828125 0.58
6047 191.076446533203 57719.375 4.79
6048 193.122222900391 8479.275390625 0.7
6049 201.073806762695 8188.94873046875 0.68
6050 203.09098815918 35861.9765625 2.98
6051 232.06901550293 202170.046875 16.78
6052 249.095581054688 864044.125 71.73
6053 256.981597900391 3960.87768554688 0.33
6054
6055 RECORD_TITLE: MZ:249.0956 | RT:44.1 | grpid:246 | file:2
6056 MS$FOCUSED_ION: PRECURSOR_M/Z 249.095642089844
6057 AC$CHROMATOGRAPHY: RETENTION_TIME 44.0806488
6058 XCMS groupid (grpid): 246
6059 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
6060 PK$NUM_PEAK: 24
6061 PK$PEAK: m/z int. rel.int.
6062 102.05534362793 5758.3828125 0.61
6063 110.071769714355 39500.23828125 4.2
6064 112.037246704102 940339.1875 100
6065 120.003524780273 6103.93701171875 0.65
6066 120.065902709961 10654.81640625 1.13
6067 130.049179077148 4996.4912109375 0.53
6068 132.053283691406 119280.65625 12.68
6069 133.037567138672 29320.185546875 3.12
6070 134.018768310547 11701.443359375 1.24
6071 153.063461303711 15509.638671875 1.65
6072 160.048049926758 171535.25 18.24
6073 173.029846191406 18237.09375 1.94
6074 177.075286865234 3303.73095703125 0.35
6075 178.058670043945 303257.25 32.25
6076 180.905288696289 3644.25463867188 0.39
6077 187.095825195312 6590.21435546875 0.7
6078 191.040252685547 270489.15625 28.77
6079 191.07649230957 83460.109375 8.88
6080 193.122436523438 4344.080078125 0.46
6081 196.547912597656 3137.29174804688 0.33
6082 201.074554443359 5955.5576171875 0.63
6083 203.089859008789 23535.162109375 2.5
6084 232.069076538086 151738.125 16.14
6085 249.095672607422 689680.875 73.34
6086
6087 RECORD_TITLE: MZ:249.0956 | RT:44.1 | grpid:246 | file:2
6088 MS$FOCUSED_ION: PRECURSOR_M/Z 249.095642089844
6089 AC$CHROMATOGRAPHY: RETENTION_TIME 44.0806488
6090 XCMS groupid (grpid): 246
6091 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
6092 PK$NUM_PEAK: 24
6093 PK$PEAK: m/z int. rel.int.
6094 102.05534362793 5758.3828125 0.61
6095 110.071769714355 39500.23828125 4.2
6096 112.037246704102 940339.1875 100
6097 120.003524780273 6103.93701171875 0.65
6098 120.065902709961 10654.81640625 1.13
6099 130.049179077148 4996.4912109375 0.53
6100 132.053283691406 119280.65625 12.68
6101 133.037567138672 29320.185546875 3.12
6102 134.018768310547 11701.443359375 1.24
6103 153.063461303711 15509.638671875 1.65
6104 160.048049926758 171535.25 18.24
6105 173.029846191406 18237.09375 1.94
6106 177.075286865234 3303.73095703125 0.35
6107 178.058670043945 303257.25 32.25
6108 180.905288696289 3644.25463867188 0.39
6109 187.095825195312 6590.21435546875 0.7
6110 191.040252685547 270489.15625 28.77
6111 191.07649230957 83460.109375 8.88
6112 193.122436523438 4344.080078125 0.46
6113 196.547912597656 3137.29174804688 0.33
6114 201.074554443359 5955.5576171875 0.63
6115 203.089859008789 23535.162109375 2.5
6116 232.069076538086 151738.125 16.14
6117 249.095672607422 689680.875 73.34
6118
6119 RECORD_TITLE: MZ:253.1518 | RT:130.8 | grpid:254 | file:1
6120 MS$FOCUSED_ION: PRECURSOR_M/Z 253.151809692383
6121 AC$CHROMATOGRAPHY: RETENTION_TIME 130.794318
6122 XCMS groupid (grpid): 254
6123 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
6124 PK$NUM_PEAK: 10
6125 PK$PEAK: m/z int. rel.int.
6126 107.091743469238 2954.37670898438 3.89
6127 110.071716308594 33523.06640625 44.11
6128 120.081520080566 3132.15551757812 4.12
6129 140.067886352539 33707.0078125 44.36
6130 141.054458618164 2880.50244140625 3.79
6131 154.083801269531 21151.53515625 27.83
6132 156.076873779297 3850.58935546875 5.07
6133 200.121810913086 2855.59790039062 3.76
6134 235.118896484375 4956.2041015625 6.52
6135 253.152420043945 75993.6953125 100
6136
6137 RECORD_TITLE: MZ:253.1518 | RT:130.8 | grpid:254 | file:1
6138 MS$FOCUSED_ION: PRECURSOR_M/Z 253.151809692383
6139 AC$CHROMATOGRAPHY: RETENTION_TIME 130.794318
6140 XCMS groupid (grpid): 254
6141 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
6142 PK$NUM_PEAK: 10
6143 PK$PEAK: m/z int. rel.int.
6144 107.091743469238 2954.37670898438 3.89
6145 110.071716308594 33523.06640625 44.11
6146 120.081520080566 3132.15551757812 4.12
6147 140.067886352539 33707.0078125 44.36
6148 141.054458618164 2880.50244140625 3.79
6149 154.083801269531 21151.53515625 27.83
6150 156.076873779297 3850.58935546875 5.07
6151 200.121810913086 2855.59790039062 3.76
6152 235.118896484375 4956.2041015625 6.52
6153 253.152420043945 75993.6953125 100
6154
6155 RECORD_TITLE: MZ:253.1517 | RT:131.1 | grpid:254 | file:2
6156 MS$FOCUSED_ION: PRECURSOR_M/Z 253.151733398438
6157 AC$CHROMATOGRAPHY: RETENTION_TIME 131.148558
6158 XCMS groupid (grpid): 254
6159 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
6160 PK$NUM_PEAK: 13
6161 PK$PEAK: m/z int. rel.int.
6162 107.339874267578 2320.88403320312 2.8
6163 110.071655273438 38185.00390625 46.14
6164 115.528038024902 2485.31811523438 3
6165 124.155448913574 2436.33129882812 2.94
6166 140.068161010742 36911.69921875 44.6
6167 153.270446777344 2888.85546875 3.49
6168 154.083755493164 21753.724609375 26.29
6169 157.152938842773 2905.64404296875 3.51
6170 169.125030517578 2750.21606445312 3.32
6171 193.291427612305 2772.30908203125 3.35
6172 212.793746948242 3007.59448242188 3.63
6173 235.118835449219 4806.6279296875 5.81
6174 253.152038574219 82753.3125 100
6175
6176 RECORD_TITLE: MZ:253.1517 | RT:131.1 | grpid:254 | file:2
6177 MS$FOCUSED_ION: PRECURSOR_M/Z 253.151733398438
6178 AC$CHROMATOGRAPHY: RETENTION_TIME 131.148558
6179 XCMS groupid (grpid): 254
6180 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
6181 PK$NUM_PEAK: 13
6182 PK$PEAK: m/z int. rel.int.
6183 107.339874267578 2320.88403320312 2.8
6184 110.071655273438 38185.00390625 46.14
6185 115.528038024902 2485.31811523438 3
6186 124.155448913574 2436.33129882812 2.94
6187 140.068161010742 36911.69921875 44.6
6188 153.270446777344 2888.85546875 3.49
6189 154.083755493164 21753.724609375 26.29
6190 157.152938842773 2905.64404296875 3.51
6191 169.125030517578 2750.21606445312 3.32
6192 193.291427612305 2772.30908203125 3.35
6193 212.793746948242 3007.59448242188 3.63
6194 235.118835449219 4806.6279296875 5.81
6195 253.152038574219 82753.3125 100
6196
6197 RECORD_TITLE: MZ:260.1601 | RT:64.4 | grpid:268 | file:1
6198 MS$FOCUSED_ION: PRECURSOR_M/Z 260.160125732422
6199 AC$CHROMATOGRAPHY: RETENTION_TIME 64.427298
6200 XCMS groupid (grpid): 268
6201 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
6202 PK$NUM_PEAK: 26
6203 PK$PEAK: m/z int. rel.int.
6204 101.07137298584 280288.875 6.67
6205 101.107879638672 14493.677734375 0.34
6206 102.055473327637 40350.5546875 0.96
6207 119.675964355469 7883.43505859375 0.19
6208 129.066162109375 13079.0908203125 0.31
6209 129.102386474609 294917.53125 7.02
6210 130.049942016602 3864012.5 91.96
6211 130.086303710938 464072.625 11.04
6212 131.117935180664 74113.953125 1.76
6213 143.117980957031 38161.6953125 0.91
6214 147.076354980469 4201919 100
6215 147.112686157227 565772.5625 13.46
6216 148.060821533203 6235.46240234375 0.15
6217 161.09228515625 27004.091796875 0.64
6218 166.086303710938 9206.0458984375 0.22
6219 171.07633972168 26625.2421875 0.63
6220 171.112579345703 10242.2236328125 0.24
6221 178.009323120117 6111.0908203125 0.15
6222 197.128372192383 6746.4931640625 0.16
6223 208.096313476562 9383.1396484375 0.22
6224 225.12287902832 9742.6796875 0.23
6225 242.149032592773 7226.04052734375 0.17
6226 242.186050415039 9920.556640625 0.24
6227 243.13330078125 58166.73828125 1.38
6228 260.160217285156 158789.859375 3.78
6229 260.195007324219 65784.90625 1.57
6230
6231 RECORD_TITLE: MZ:260.1601 | RT:64.4 | grpid:268 | file:1
6232 MS$FOCUSED_ION: PRECURSOR_M/Z 260.160125732422
6233 AC$CHROMATOGRAPHY: RETENTION_TIME 64.427298
6234 XCMS groupid (grpid): 268
6235 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
6236 PK$NUM_PEAK: 26
6237 PK$PEAK: m/z int. rel.int.
6238 101.07137298584 280288.875 6.67
6239 101.107879638672 14493.677734375 0.34
6240 102.055473327637 40350.5546875 0.96
6241 119.675964355469 7883.43505859375 0.19
6242 129.066162109375 13079.0908203125 0.31
6243 129.102386474609 294917.53125 7.02
6244 130.049942016602 3864012.5 91.96
6245 130.086303710938 464072.625 11.04
6246 131.117935180664 74113.953125 1.76
6247 143.117980957031 38161.6953125 0.91
6248 147.076354980469 4201919 100
6249 147.112686157227 565772.5625 13.46
6250 148.060821533203 6235.46240234375 0.15
6251 161.09228515625 27004.091796875 0.64
6252 166.086303710938 9206.0458984375 0.22
6253 171.07633972168 26625.2421875 0.63
6254 171.112579345703 10242.2236328125 0.24
6255 178.009323120117 6111.0908203125 0.15
6256 197.128372192383 6746.4931640625 0.16
6257 208.096313476562 9383.1396484375 0.22
6258 225.12287902832 9742.6796875 0.23
6259 242.149032592773 7226.04052734375 0.17
6260 242.186050415039 9920.556640625 0.24
6261 243.13330078125 58166.73828125 1.38
6262 260.160217285156 158789.859375 3.78
6263 260.195007324219 65784.90625 1.57
6264
6265 RECORD_TITLE: MZ:260.16 | RT:64.4 | grpid:268 | file:1
6266 MS$FOCUSED_ION: PRECURSOR_M/Z 260.160003662109
6267 AC$CHROMATOGRAPHY: RETENTION_TIME 64.427298
6268 XCMS groupid (grpid): 268
6269 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
6270 PK$NUM_PEAK: 24
6271 PK$PEAK: m/z int. rel.int.
6272 101.07137298584 224546.640625 8.01
6273 102.055267333984 29658.279296875 1.06
6274 112.051231384277 7085.35498046875 0.25
6275 114.091888427734 8279.0263671875 0.3
6276 114.110542297363 7814.45751953125 0.28
6277 129.102462768555 87336.734375 3.12
6278 130.04997253418 2701107.5 96.37
6279 130.086471557617 139307.140625 4.97
6280 131.118087768555 131697.203125 4.7
6281 143.117721557617 124180.6640625 4.43
6282 147.076385498047 2802757.75 100
6283 147.112548828125 145469.890625 5.19
6284 158.389617919922 7773.4794921875 0.28
6285 171.076889038086 8325.7744140625 0.3
6286 181.200134277344 7045.78857421875 0.25
6287 194.947174072266 7624.8994140625 0.27
6288 208.095809936523 13188.5107421875 0.47
6289 215.139511108398 10435.6884765625 0.37
6290 225.123046875 10780.173828125 0.38
6291 226.107299804688 35852.796875 1.28
6292 231.508926391602 8413.22265625 0.3
6293 243.133453369141 64434.46875 2.3
6294 260.160186767578 128216.2578125 4.57
6295 260.197235107422 14137.32421875 0.5
6296
6297 RECORD_TITLE: MZ:260.16 | RT:64.4 | grpid:268 | file:1
6298 MS$FOCUSED_ION: PRECURSOR_M/Z 260.160003662109
6299 AC$CHROMATOGRAPHY: RETENTION_TIME 64.427298
6300 XCMS groupid (grpid): 268
6301 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
6302 PK$NUM_PEAK: 24
6303 PK$PEAK: m/z int. rel.int.
6304 101.07137298584 224546.640625 8.01
6305 102.055267333984 29658.279296875 1.06
6306 112.051231384277 7085.35498046875 0.25
6307 114.091888427734 8279.0263671875 0.3
6308 114.110542297363 7814.45751953125 0.28
6309 129.102462768555 87336.734375 3.12
6310 130.04997253418 2701107.5 96.37
6311 130.086471557617 139307.140625 4.97
6312 131.118087768555 131697.203125 4.7
6313 143.117721557617 124180.6640625 4.43
6314 147.076385498047 2802757.75 100
6315 147.112548828125 145469.890625 5.19
6316 158.389617919922 7773.4794921875 0.28
6317 171.076889038086 8325.7744140625 0.3
6318 181.200134277344 7045.78857421875 0.25
6319 194.947174072266 7624.8994140625 0.27
6320 208.095809936523 13188.5107421875 0.47
6321 215.139511108398 10435.6884765625 0.37
6322 225.123046875 10780.173828125 0.38
6323 226.107299804688 35852.796875 1.28
6324 231.508926391602 8413.22265625 0.3
6325 243.133453369141 64434.46875 2.3
6326 260.160186767578 128216.2578125 4.57
6327 260.197235107422 14137.32421875 0.5
6328
6329 RECORD_TITLE: MZ:260.16 | RT:64.4 | grpid:268 | file:1
6330 MS$FOCUSED_ION: PRECURSOR_M/Z 260.160034179688
6331 AC$CHROMATOGRAPHY: RETENTION_TIME 64.427298
6332 XCMS groupid (grpid): 268
6333 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
6334 PK$NUM_PEAK: 24
6335 PK$PEAK: m/z int. rel.int.
6336 101.071243286133 21230.083984375 5.44
6337 102.055603027344 3450.02783203125 0.88
6338 115.086975097656 46859.32421875 12
6339 118.086524963379 23143.521484375 5.93
6340 118.568099975586 3152.3857421875 0.81
6341 129.066696166992 3741.62866210938 0.96
6342 129.102340698242 32777.5 8.4
6343 130.049942016602 377746.46875 96.75
6344 130.086547851562 31525.72265625 8.07
6345 131.118072509766 23066.568359375 5.91
6346 132.102325439453 10983.666015625 2.81
6347 143.081283569336 21082.5859375 5.4
6348 143.117904663086 89486.7578125 22.92
6349 146.471817016602 3306.50903320312 0.85
6350 147.076324462891 390431.5625 100
6351 147.112655639648 35579.2109375 9.11
6352 157.133560180664 55436.7109375 14.2
6353 171.112564086914 14304.3427734375 3.66
6354 185.127960205078 21172.015625 5.42
6355 189.123489379883 16197.6220703125 4.15
6356 197.128952026367 11657.0009765625 2.99
6357 243.133834838867 14146.515625 3.62
6358 260.159088134766 20881.486328125 5.35
6359 260.196716308594 5354.4638671875 1.37
6360
6361 RECORD_TITLE: MZ:260.16 | RT:64.4 | grpid:268 | file:1
6362 MS$FOCUSED_ION: PRECURSOR_M/Z 260.160034179688
6363 AC$CHROMATOGRAPHY: RETENTION_TIME 64.427298
6364 XCMS groupid (grpid): 268
6365 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
6366 PK$NUM_PEAK: 24
6367 PK$PEAK: m/z int. rel.int.
6368 101.071243286133 21230.083984375 5.44
6369 102.055603027344 3450.02783203125 0.88
6370 115.086975097656 46859.32421875 12
6371 118.086524963379 23143.521484375 5.93
6372 118.568099975586 3152.3857421875 0.81
6373 129.066696166992 3741.62866210938 0.96
6374 129.102340698242 32777.5 8.4
6375 130.049942016602 377746.46875 96.75
6376 130.086547851562 31525.72265625 8.07
6377 131.118072509766 23066.568359375 5.91
6378 132.102325439453 10983.666015625 2.81
6379 143.081283569336 21082.5859375 5.4
6380 143.117904663086 89486.7578125 22.92
6381 146.471817016602 3306.50903320312 0.85
6382 147.076324462891 390431.5625 100
6383 147.112655639648 35579.2109375 9.11
6384 157.133560180664 55436.7109375 14.2
6385 171.112564086914 14304.3427734375 3.66
6386 185.127960205078 21172.015625 5.42
6387 189.123489379883 16197.6220703125 4.15
6388 197.128952026367 11657.0009765625 2.99
6389 243.133834838867 14146.515625 3.62
6390 260.159088134766 20881.486328125 5.35
6391 260.196716308594 5354.4638671875 1.37
6392
6393 RECORD_TITLE: MZ:260.1601 | RT:64.4 | grpid:268 | file:1
6394 MS$FOCUSED_ION: PRECURSOR_M/Z 260.160125732422
6395 AC$CHROMATOGRAPHY: RETENTION_TIME 64.427298
6396 XCMS groupid (grpid): 268
6397 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
6398 PK$NUM_PEAK: 38
6399 PK$PEAK: m/z int. rel.int.
6400 101.071380615234 133178.875 17.3
6401 101.107894897461 24495.18359375 3.18
6402 112.039588928223 4506.56640625 0.59
6403 112.076057434082 5004.548828125 0.65
6404 113.071029663086 5232.271484375 0.68
6405 115.086494445801 3500.18920898438 0.45
6406 126.05509185791 4907.42333984375 0.64
6407 128.082641601562 3512.9404296875 0.46
6408 129.056106567383 7475.19091796875 0.97
6409 129.065933227539 276732.9375 35.95
6410 129.102294921875 60504.08203125 7.86
6411 130.049957275391 26949.51171875 3.5
6412 130.08625793457 27750.23046875 3.61
6413 132.101928710938 370625.5625 48.15
6414 135.177505493164 3377.52880859375 0.44
6415 141.065948486328 8159.033203125 1.06
6416 143.11897277832 4787.7294921875 0.62
6417 147.076416015625 62682.89453125 8.14
6418 147.112609863281 38620.87890625 5.02
6419 152.106964111328 7154.951171875 0.93
6420 157.133438110352 79586.5703125 10.34
6421 169.133697509766 30159.82421875 3.92
6422 175.616348266602 3355.13818359375 0.44
6423 185.129165649414 23234.431640625 3.02
6424 185.142684936523 3643.89672851562 0.47
6425 196.144348144531 242406.390625 31.49
6426 197.128341674805 694670.625 90.26
6427 198.112731933594 15789.3916015625 2.05
6428 214.155380249023 12441.158203125 1.62
6429 224.791091918945 3053.37255859375 0.4
6430 225.123092651367 23662.498046875 3.07
6431 242.149688720703 769670.6875 100
6432 243.133697509766 162677.0625 21.14
6433 243.170104980469 35359.23046875 4.59
6434 257.604095458984 4091.0478515625 0.53
6435 260.1064453125 5038.6826171875 0.65
6436 260.196746826172 36750.984375 4.77
6437 284.158905029297 4032.54028320312 0.52
6438
6439 RECORD_TITLE: MZ:260.1601 | RT:64.4 | grpid:268 | file:1
6440 MS$FOCUSED_ION: PRECURSOR_M/Z 260.160125732422
6441 AC$CHROMATOGRAPHY: RETENTION_TIME 64.427298
6442 XCMS groupid (grpid): 268
6443 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
6444 PK$NUM_PEAK: 38
6445 PK$PEAK: m/z int. rel.int.
6446 101.071380615234 133178.875 17.3
6447 101.107894897461 24495.18359375 3.18
6448 112.039588928223 4506.56640625 0.59
6449 112.076057434082 5004.548828125 0.65
6450 113.071029663086 5232.271484375 0.68
6451 115.086494445801 3500.18920898438 0.45
6452 126.05509185791 4907.42333984375 0.64
6453 128.082641601562 3512.9404296875 0.46
6454 129.056106567383 7475.19091796875 0.97
6455 129.065933227539 276732.9375 35.95
6456 129.102294921875 60504.08203125 7.86
6457 130.049957275391 26949.51171875 3.5
6458 130.08625793457 27750.23046875 3.61
6459 132.101928710938 370625.5625 48.15
6460 135.177505493164 3377.52880859375 0.44
6461 141.065948486328 8159.033203125 1.06
6462 143.11897277832 4787.7294921875 0.62
6463 147.076416015625 62682.89453125 8.14
6464 147.112609863281 38620.87890625 5.02
6465 152.106964111328 7154.951171875 0.93
6466 157.133438110352 79586.5703125 10.34
6467 169.133697509766 30159.82421875 3.92
6468 175.616348266602 3355.13818359375 0.44
6469 185.129165649414 23234.431640625 3.02
6470 185.142684936523 3643.89672851562 0.47
6471 196.144348144531 242406.390625 31.49
6472 197.128341674805 694670.625 90.26
6473 198.112731933594 15789.3916015625 2.05
6474 214.155380249023 12441.158203125 1.62
6475 224.791091918945 3053.37255859375 0.4
6476 225.123092651367 23662.498046875 3.07
6477 242.149688720703 769670.6875 100
6478 243.133697509766 162677.0625 21.14
6479 243.170104980469 35359.23046875 4.59
6480 257.604095458984 4091.0478515625 0.53
6481 260.1064453125 5038.6826171875 0.65
6482 260.196746826172 36750.984375 4.77
6483 284.158905029297 4032.54028320312 0.52
6484
6485 RECORD_TITLE: MZ:260.16 | RT:64.4 | grpid:268 | file:1
6486 MS$FOCUSED_ION: PRECURSOR_M/Z 260.160034179688
6487 AC$CHROMATOGRAPHY: RETENTION_TIME 64.427298
6488 XCMS groupid (grpid): 268
6489 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
6490 PK$NUM_PEAK: 19
6491 PK$PEAK: m/z int. rel.int.
6492 101.071250915527 18589.9921875 17.74
6493 101.107902526855 4691.70458984375 4.48
6494 117.731323242188 2677.47290039062 2.56
6495 129.065887451172 32269.685546875 30.8
6496 129.102020263672 27557.943359375 26.3
6497 130.049911499023 4742.4462890625 4.53
6498 130.086471557617 4892.33154296875 4.67
6499 132.101867675781 51591.41796875 49.25
6500 147.076293945312 33524.60546875 32
6501 147.112808227539 15120.2451171875 14.43
6502 157.133422851562 54931.6953125 52.43
6503 185.128509521484 17955.962890625 17.14
6504 196.144332885742 28074.05859375 26.8
6505 197.128387451172 91723.1875 87.55
6506 242.149826049805 104763.1953125 100
6507 243.134033203125 18298.615234375 17.47
6508 243.169830322266 12057.4189453125 11.51
6509 254.267532348633 3362.4521484375 3.21
6510 260.196075439453 14846.7978515625 14.17
6511
6512 RECORD_TITLE: MZ:260.16 | RT:64.4 | grpid:268 | file:1
6513 MS$FOCUSED_ION: PRECURSOR_M/Z 260.160034179688
6514 AC$CHROMATOGRAPHY: RETENTION_TIME 64.427298
6515 XCMS groupid (grpid): 268
6516 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
6517 PK$NUM_PEAK: 19
6518 PK$PEAK: m/z int. rel.int.
6519 101.071250915527 18589.9921875 17.74
6520 101.107902526855 4691.70458984375 4.48
6521 117.731323242188 2677.47290039062 2.56
6522 129.065887451172 32269.685546875 30.8
6523 129.102020263672 27557.943359375 26.3
6524 130.049911499023 4742.4462890625 4.53
6525 130.086471557617 4892.33154296875 4.67
6526 132.101867675781 51591.41796875 49.25
6527 147.076293945312 33524.60546875 32
6528 147.112808227539 15120.2451171875 14.43
6529 157.133422851562 54931.6953125 52.43
6530 185.128509521484 17955.962890625 17.14
6531 196.144332885742 28074.05859375 26.8
6532 197.128387451172 91723.1875 87.55
6533 242.149826049805 104763.1953125 100
6534 243.134033203125 18298.615234375 17.47
6535 243.169830322266 12057.4189453125 11.51
6536 254.267532348633 3362.4521484375 3.21
6537 260.196075439453 14846.7978515625 14.17
6538
6539 RECORD_TITLE: MZ:260.1601 | RT:64.4 | grpid:268 | file:1
6540 MS$FOCUSED_ION: PRECURSOR_M/Z 260.160095214844
6541 AC$CHROMATOGRAPHY: RETENTION_TIME 64.427298
6542 XCMS groupid (grpid): 268
6543 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
6544 PK$NUM_PEAK: 34
6545 PK$PEAK: m/z int. rel.int.
6546 101.07137298584 186066.078125 17.82
6547 101.107734680176 6916.6748046875 0.66
6548 111.05541229248 3971.5546875 0.38
6549 113.071220397949 23820.638671875 2.28
6550 120.375061035156 3358.67749023438 0.32
6551 126.055755615234 3003.1083984375 0.29
6552 129.066055297852 119070.0234375 11.41
6553 129.101837158203 23237.716796875 2.23
6554 129.405639648438 3114.65234375 0.3
6555 130.049850463867 14746.5341796875 1.41
6556 130.086563110352 4740.45068359375 0.45
6557 132.101959228516 758963.125 72.7
6558 141.065704345703 66827.3046875 6.4
6559 142.050109863281 6317.927734375 0.61
6560 147.06591796875 3365.11987304688 0.32
6561 147.075698852539 23133.81640625 2.22
6562 147.112731933594 15049.09375 1.44
6563 152.107147216797 19980.48828125 1.91
6564 155.081329345703 5665.822265625 0.54
6565 157.133239746094 31086.310546875 2.98
6566 185.128707885742 6831.24951171875 0.65
6567 196.126098632812 7020.875 0.67
6568 196.144393920898 224106.953125 21.47
6569 197.128387451172 661679.5 63.38
6570 198.112091064453 37769.45703125 3.62
6571 202.619400024414 3764.51123046875 0.36
6572 214.155349731445 6620.1611328125 0.63
6573 225.12321472168 45129.640625 4.32
6574 242.149719238281 1044009.75 100
6575 243.133697509766 283573.6875 27.16
6576 243.171524047852 14989.9306640625 1.44
6577 260.160430908203 7387.98095703125 0.71
6578 260.19677734375 15505.5068359375 1.49
6579 280.563995361328 3548.77075195312 0.34
6580
6581 RECORD_TITLE: MZ:260.1601 | RT:64.4 | grpid:268 | file:1
6582 MS$FOCUSED_ION: PRECURSOR_M/Z 260.160095214844
6583 AC$CHROMATOGRAPHY: RETENTION_TIME 64.427298
6584 XCMS groupid (grpid): 268
6585 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
6586 PK$NUM_PEAK: 34
6587 PK$PEAK: m/z int. rel.int.
6588 101.07137298584 186066.078125 17.82
6589 101.107734680176 6916.6748046875 0.66
6590 111.05541229248 3971.5546875 0.38
6591 113.071220397949 23820.638671875 2.28
6592 120.375061035156 3358.67749023438 0.32
6593 126.055755615234 3003.1083984375 0.29
6594 129.066055297852 119070.0234375 11.41
6595 129.101837158203 23237.716796875 2.23
6596 129.405639648438 3114.65234375 0.3
6597 130.049850463867 14746.5341796875 1.41
6598 130.086563110352 4740.45068359375 0.45
6599 132.101959228516 758963.125 72.7
6600 141.065704345703 66827.3046875 6.4
6601 142.050109863281 6317.927734375 0.61
6602 147.06591796875 3365.11987304688 0.32
6603 147.075698852539 23133.81640625 2.22
6604 147.112731933594 15049.09375 1.44
6605 152.107147216797 19980.48828125 1.91
6606 155.081329345703 5665.822265625 0.54
6607 157.133239746094 31086.310546875 2.98
6608 185.128707885742 6831.24951171875 0.65
6609 196.126098632812 7020.875 0.67
6610 196.144393920898 224106.953125 21.47
6611 197.128387451172 661679.5 63.38
6612 198.112091064453 37769.45703125 3.62
6613 202.619400024414 3764.51123046875 0.36
6614 214.155349731445 6620.1611328125 0.63
6615 225.12321472168 45129.640625 4.32
6616 242.149719238281 1044009.75 100
6617 243.133697509766 283573.6875 27.16
6618 243.171524047852 14989.9306640625 1.44
6619 260.160430908203 7387.98095703125 0.71
6620 260.19677734375 15505.5068359375 1.49
6621 280.563995361328 3548.77075195312 0.34
6622
6623 RECORD_TITLE: MZ:260.1602 | RT:64.6 | grpid:268 | file:2
6624 MS$FOCUSED_ION: PRECURSOR_M/Z 260.16015625
6625 AC$CHROMATOGRAPHY: RETENTION_TIME 64.605414
6626 XCMS groupid (grpid): 268
6627 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
6628 PK$NUM_PEAK: 27
6629 PK$PEAK: m/z int. rel.int.
6630 101.07137298584 78079.046875 7.39
6631 101.108123779297 4978.68017578125 0.47
6632 102.055351257324 6781.66162109375 0.64
6633 108.04483795166 4930.67626953125 0.47
6634 123.25439453125 3607.03344726562 0.34
6635 126.055252075195 5807.98095703125 0.55
6636 129.102340698242 111243.2109375 10.52
6637 130.04997253418 997116.125 94.34
6638 130.086273193359 167884.03125 15.88
6639 131.118057250977 18706.990234375 1.77
6640 143.109237670898 2796.21264648438 0.26
6641 143.117858886719 111415.046875 10.54
6642 147.076400756836 1056949.875 100
6643 147.11279296875 217695.78125 20.6
6644 157.096557617188 5848.45654296875 0.55
6645 161.091979980469 67158.9140625 6.35
6646 171.076461791992 5268.70166015625 0.5
6647 171.112945556641 37266.875 3.53
6648 173.092041015625 7533.43994140625 0.71
6649 186.686386108398 3445.04028320312 0.33
6650 215.138916015625 3614.59008789062 0.34
6651 233.687118530273 3253.4853515625 0.31
6652 241.755889892578 3325.24536132812 0.31
6653 243.1328125 14557.9892578125 1.38
6654 243.371932983398 3638.29248046875 0.34
6655 260.160797119141 29067.166015625 2.75
6656 260.195587158203 24704.6015625 2.34
6657
6658 RECORD_TITLE: MZ:260.1602 | RT:64.6 | grpid:268 | file:2
6659 MS$FOCUSED_ION: PRECURSOR_M/Z 260.16015625
6660 AC$CHROMATOGRAPHY: RETENTION_TIME 64.605414
6661 XCMS groupid (grpid): 268
6662 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
6663 PK$NUM_PEAK: 27
6664 PK$PEAK: m/z int. rel.int.
6665 101.07137298584 78079.046875 7.39
6666 101.108123779297 4978.68017578125 0.47
6667 102.055351257324 6781.66162109375 0.64
6668 108.04483795166 4930.67626953125 0.47
6669 123.25439453125 3607.03344726562 0.34
6670 126.055252075195 5807.98095703125 0.55
6671 129.102340698242 111243.2109375 10.52
6672 130.04997253418 997116.125 94.34
6673 130.086273193359 167884.03125 15.88
6674 131.118057250977 18706.990234375 1.77
6675 143.109237670898 2796.21264648438 0.26
6676 143.117858886719 111415.046875 10.54
6677 147.076400756836 1056949.875 100
6678 147.11279296875 217695.78125 20.6
6679 157.096557617188 5848.45654296875 0.55
6680 161.091979980469 67158.9140625 6.35
6681 171.076461791992 5268.70166015625 0.5
6682 171.112945556641 37266.875 3.53
6683 173.092041015625 7533.43994140625 0.71
6684 186.686386108398 3445.04028320312 0.33
6685 215.138916015625 3614.59008789062 0.34
6686 233.687118530273 3253.4853515625 0.31
6687 241.755889892578 3325.24536132812 0.31
6688 243.1328125 14557.9892578125 1.38
6689 243.371932983398 3638.29248046875 0.34
6690 260.160797119141 29067.166015625 2.75
6691 260.195587158203 24704.6015625 2.34
6692
6693 RECORD_TITLE: MZ:260.1601 | RT:64.6 | grpid:268 | file:2
6694 MS$FOCUSED_ION: PRECURSOR_M/Z 260.160125732422
6695 AC$CHROMATOGRAPHY: RETENTION_TIME 64.605414
6696 XCMS groupid (grpid): 268
6697 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
6698 PK$NUM_PEAK: 26
6699 PK$PEAK: m/z int. rel.int.
6700 101.071365356445 273174.84375 5.97
6701 101.108093261719 12095.40625 0.26
6702 102.05549621582 42987.79296875 0.94
6703 114.091529846191 6941.03369140625 0.15
6704 129.102386474609 280601.75 6.14
6705 130.04997253418 4057672.25 88.73
6706 130.086303710938 442964.03125 9.69
6707 131.118087768555 118152.0234375 2.58
6708 143.117980957031 41353.57421875 0.9
6709 147.076416015625 4573041.5 100
6710 147.112731933594 538298.125 11.77
6711 152.067001342773 7151.61181640625 0.16
6712 161.092346191406 29531.5859375 0.65
6713 166.086578369141 11339.7890625 0.25
6714 171.076141357422 8045.1806640625 0.18
6715 171.112747192383 8939.115234375 0.2
6716 197.129119873047 15188.845703125 0.33
6717 208.096954345703 14873.140625 0.33
6718 225.121765136719 12162.9677734375 0.27
6719 225.160751342773 8003.52099609375 0.18
6720 226.107391357422 7962.37255859375 0.17
6721 242.185470581055 8664.158203125 0.19
6722 243.133361816406 71680.4296875 1.57
6723 249.004531860352 8383.3125 0.18
6724 260.160278320312 153376.6875 3.35
6725 260.196014404297 57948.74609375 1.27
6726
6727 RECORD_TITLE: MZ:260.1601 | RT:64.6 | grpid:268 | file:2
6728 MS$FOCUSED_ION: PRECURSOR_M/Z 260.160125732422
6729 AC$CHROMATOGRAPHY: RETENTION_TIME 64.605414
6730 XCMS groupid (grpid): 268
6731 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
6732 PK$NUM_PEAK: 26
6733 PK$PEAK: m/z int. rel.int.
6734 101.071365356445 273174.84375 5.97
6735 101.108093261719 12095.40625 0.26
6736 102.05549621582 42987.79296875 0.94
6737 114.091529846191 6941.03369140625 0.15
6738 129.102386474609 280601.75 6.14
6739 130.04997253418 4057672.25 88.73
6740 130.086303710938 442964.03125 9.69
6741 131.118087768555 118152.0234375 2.58
6742 143.117980957031 41353.57421875 0.9
6743 147.076416015625 4573041.5 100
6744 147.112731933594 538298.125 11.77
6745 152.067001342773 7151.61181640625 0.16
6746 161.092346191406 29531.5859375 0.65
6747 166.086578369141 11339.7890625 0.25
6748 171.076141357422 8045.1806640625 0.18
6749 171.112747192383 8939.115234375 0.2
6750 197.129119873047 15188.845703125 0.33
6751 208.096954345703 14873.140625 0.33
6752 225.121765136719 12162.9677734375 0.27
6753 225.160751342773 8003.52099609375 0.18
6754 226.107391357422 7962.37255859375 0.17
6755 242.185470581055 8664.158203125 0.19
6756 243.133361816406 71680.4296875 1.57
6757 249.004531860352 8383.3125 0.18
6758 260.160278320312 153376.6875 3.35
6759 260.196014404297 57948.74609375 1.27
6760
6761 RECORD_TITLE: MZ:260.1601 | RT:64.6 | grpid:268 | file:2
6762 MS$FOCUSED_ION: PRECURSOR_M/Z 260.160064697266
6763 AC$CHROMATOGRAPHY: RETENTION_TIME 64.605414
6764 XCMS groupid (grpid): 268
6765 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
6766 PK$NUM_PEAK: 23
6767 PK$PEAK: m/z int. rel.int.
6768 100.075759887695 4655.73388671875 0.33
6769 101.071403503418 99811.4140625 7
6770 102.055648803711 22510.1015625 1.58
6771 112.05061340332 7813.32373046875 0.55
6772 114.049842834473 4228.123046875 0.3
6773 115.087005615234 5314.89208984375 0.37
6774 117.218780517578 4574.49560546875 0.32
6775 126.055198669434 5737.7353515625 0.4
6776 129.102386474609 49068.80859375 3.44
6777 130.049987792969 1419006 99.57
6778 130.086410522461 64953.04296875 4.56
6779 131.117919921875 83925.2265625 5.89
6780 143.117950439453 174695.984375 12.26
6781 147.076400756836 1425149.125 100
6782 147.11279296875 69910.6953125 4.91
6783 171.076812744141 5204.146484375 0.37
6784 171.112518310547 22052.43359375 1.55
6785 189.122955322266 9138.876953125 0.64
6786 208.096389770508 18766.92578125 1.32
6787 226.106857299805 10009.373046875 0.7
6788 243.133804321289 43609.92578125 3.06
6789 260.160064697266 64525.95703125 4.53
6790 260.198547363281 14836.2451171875 1.04
6791
6792 RECORD_TITLE: MZ:260.1601 | RT:64.6 | grpid:268 | file:2
6793 MS$FOCUSED_ION: PRECURSOR_M/Z 260.160064697266
6794 AC$CHROMATOGRAPHY: RETENTION_TIME 64.605414
6795 XCMS groupid (grpid): 268
6796 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
6797 PK$NUM_PEAK: 23
6798 PK$PEAK: m/z int. rel.int.
6799 100.075759887695 4655.73388671875 0.33
6800 101.071403503418 99811.4140625 7
6801 102.055648803711 22510.1015625 1.58
6802 112.05061340332 7813.32373046875 0.55
6803 114.049842834473 4228.123046875 0.3
6804 115.087005615234 5314.89208984375 0.37
6805 117.218780517578 4574.49560546875 0.32
6806 126.055198669434 5737.7353515625 0.4
6807 129.102386474609 49068.80859375 3.44
6808 130.049987792969 1419006 99.57
6809 130.086410522461 64953.04296875 4.56
6810 131.117919921875 83925.2265625 5.89
6811 143.117950439453 174695.984375 12.26
6812 147.076400756836 1425149.125 100
6813 147.11279296875 69910.6953125 4.91
6814 171.076812744141 5204.146484375 0.37
6815 171.112518310547 22052.43359375 1.55
6816 189.122955322266 9138.876953125 0.64
6817 208.096389770508 18766.92578125 1.32
6818 226.106857299805 10009.373046875 0.7
6819 243.133804321289 43609.92578125 3.06
6820 260.160064697266 64525.95703125 4.53
6821 260.198547363281 14836.2451171875 1.04
6822
6823 RECORD_TITLE: MZ:260.1601 | RT:64.6 | grpid:268 | file:2
6824 MS$FOCUSED_ION: PRECURSOR_M/Z 260.160064697266
6825 AC$CHROMATOGRAPHY: RETENTION_TIME 64.605414
6826 XCMS groupid (grpid): 268
6827 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
6828 PK$NUM_PEAK: 23
6829 PK$PEAK: m/z int. rel.int.
6830 101.071304321289 23766.716796875 5.74
6831 115.086822509766 50466.89453125 12.19
6832 118.08674621582 22815.67578125 5.51
6833 129.067642211914 3240.80151367188 0.78
6834 129.102081298828 26455.953125 6.39
6835 130.049942016602 350858.28125 84.74
6836 130.086013793945 24525.548828125 5.92
6837 131.118103027344 15656.2802734375 3.78
6838 132.101745605469 5210.13525390625 1.26
6839 143.081634521484 15146.9599609375 3.66
6840 143.117736816406 102293.5859375 24.71
6841 147.076354980469 414016.6875 100
6842 147.112609863281 35867.48046875 8.66
6843 157.13346862793 70325.6953125 16.99
6844 171.112945556641 18013.8828125 4.35
6845 181.151321411133 2798.208984375 0.68
6846 185.128173828125 22186.44921875 5.36
6847 189.123397827148 14666.41015625 3.54
6848 197.128433227539 6525.52685546875 1.58
6849 242.148422241211 4731.291015625 1.14
6850 243.132232666016 5274.1142578125 1.27
6851 260.160064697266 14618.138671875 3.53
6852 260.19677734375 5998.279296875 1.45
6853
6854 RECORD_TITLE: MZ:260.1601 | RT:64.6 | grpid:268 | file:2
6855 MS$FOCUSED_ION: PRECURSOR_M/Z 260.160064697266
6856 AC$CHROMATOGRAPHY: RETENTION_TIME 64.605414
6857 XCMS groupid (grpid): 268
6858 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
6859 PK$NUM_PEAK: 23
6860 PK$PEAK: m/z int. rel.int.
6861 101.071304321289 23766.716796875 5.74
6862 115.086822509766 50466.89453125 12.19
6863 118.08674621582 22815.67578125 5.51
6864 129.067642211914 3240.80151367188 0.78
6865 129.102081298828 26455.953125 6.39
6866 130.049942016602 350858.28125 84.74
6867 130.086013793945 24525.548828125 5.92
6868 131.118103027344 15656.2802734375 3.78
6869 132.101745605469 5210.13525390625 1.26
6870 143.081634521484 15146.9599609375 3.66
6871 143.117736816406 102293.5859375 24.71
6872 147.076354980469 414016.6875 100
6873 147.112609863281 35867.48046875 8.66
6874 157.13346862793 70325.6953125 16.99
6875 171.112945556641 18013.8828125 4.35
6876 181.151321411133 2798.208984375 0.68
6877 185.128173828125 22186.44921875 5.36
6878 189.123397827148 14666.41015625 3.54
6879 197.128433227539 6525.52685546875 1.58
6880 242.148422241211 4731.291015625 1.14
6881 243.132232666016 5274.1142578125 1.27
6882 260.160064697266 14618.138671875 3.53
6883 260.19677734375 5998.279296875 1.45
6884
6885 RECORD_TITLE: MZ:260.16 | RT:64.6 | grpid:268 | file:2
6886 MS$FOCUSED_ION: PRECURSOR_M/Z 260.160034179688
6887 AC$CHROMATOGRAPHY: RETENTION_TIME 64.605414
6888 XCMS groupid (grpid): 268
6889 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
6890 PK$NUM_PEAK: 25
6891 PK$PEAK: m/z int. rel.int.
6892 101.071464538574 61937.484375 13.05
6893 101.107734680176 20074.541015625 4.23
6894 129.065963745117 151079.796875 31.83
6895 129.102355957031 44955.78515625 9.47
6896 130.05029296875 16566.19921875 3.49
6897 130.086456298828 15828.408203125 3.34
6898 132.102005004883 199634.28125 42.07
6899 133.419723510742 2777.17724609375 0.59
6900 141.065948486328 4040.75415039062 0.85
6901 147.076400756836 36854.75 7.77
6902 147.112319946289 36430.6953125 7.68
6903 152.107162475586 5634.4580078125 1.19
6904 157.133514404297 51781.74609375 10.91
6905 169.133804321289 15625.53125 3.29
6906 176.835144042969 2922.1162109375 0.62
6907 183.653656005859 3135.40966796875 0.66
6908 185.129058837891 15618.130859375 3.29
6909 196.144287109375 145955.578125 30.75
6910 197.128387451172 402539.03125 84.82
6911 198.113662719727 5431.46435546875 1.14
6912 225.123336791992 13575.9990234375 2.86
6913 242.149765014648 474582.46875 100
6914 243.1337890625 92873.828125 19.57
6915 243.169296264648 28631.462890625 6.03
6916 260.1962890625 27617.501953125 5.82
6917
6918 RECORD_TITLE: MZ:260.16 | RT:64.6 | grpid:268 | file:2
6919 MS$FOCUSED_ION: PRECURSOR_M/Z 260.160034179688
6920 AC$CHROMATOGRAPHY: RETENTION_TIME 64.605414
6921 XCMS groupid (grpid): 268
6922 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
6923 PK$NUM_PEAK: 25
6924 PK$PEAK: m/z int. rel.int.
6925 101.071464538574 61937.484375 13.05
6926 101.107734680176 20074.541015625 4.23
6927 129.065963745117 151079.796875 31.83
6928 129.102355957031 44955.78515625 9.47
6929 130.05029296875 16566.19921875 3.49
6930 130.086456298828 15828.408203125 3.34
6931 132.102005004883 199634.28125 42.07
6932 133.419723510742 2777.17724609375 0.59
6933 141.065948486328 4040.75415039062 0.85
6934 147.076400756836 36854.75 7.77
6935 147.112319946289 36430.6953125 7.68
6936 152.107162475586 5634.4580078125 1.19
6937 157.133514404297 51781.74609375 10.91
6938 169.133804321289 15625.53125 3.29
6939 176.835144042969 2922.1162109375 0.62
6940 183.653656005859 3135.40966796875 0.66
6941 185.129058837891 15618.130859375 3.29
6942 196.144287109375 145955.578125 30.75
6943 197.128387451172 402539.03125 84.82
6944 198.113662719727 5431.46435546875 1.14
6945 225.123336791992 13575.9990234375 2.86
6946 242.149765014648 474582.46875 100
6947 243.1337890625 92873.828125 19.57
6948 243.169296264648 28631.462890625 6.03
6949 260.1962890625 27617.501953125 5.82
6950
6951 RECORD_TITLE: MZ:260.16 | RT:64.6 | grpid:268 | file:2
6952 MS$FOCUSED_ION: PRECURSOR_M/Z 260.159973144531
6953 AC$CHROMATOGRAPHY: RETENTION_TIME 64.605414
6954 XCMS groupid (grpid): 268
6955 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
6956 PK$NUM_PEAK: 21
6957 PK$PEAK: m/z int. rel.int.
6958 101.071571350098 19042.111328125 15.08
6959 101.107795715332 10821.4755859375 8.57
6960 113.813926696777 2932.15478515625 2.32
6961 129.066024780273 34543.13671875 27.36
6962 129.102310180664 22668.677734375 17.95
6963 130.050155639648 4975.9365234375 3.94
6964 130.086334228516 10617.220703125 8.41
6965 132.102096557617 53785.2109375 42.59
6966 147.076370239258 34652.6015625 27.44
6967 147.11247253418 20063.236328125 15.89
6968 157.133605957031 60700.27734375 48.07
6969 169.133392333984 3979.8818359375 3.15
6970 185.128845214844 21512.177734375 17.04
6971 196.144271850586 46914.84765625 37.15
6972 197.128356933594 115787.4375 91.7
6973 225.125122070312 2980.19384765625 2.36
6974 232.593536376953 3009.87670898438 2.38
6975 242.149765014648 126271.609375 100
6976 243.134399414062 21099.544921875 16.71
6977 243.170593261719 14233.880859375 11.27
6978 260.197143554688 17110.69921875 13.55
6979
6980 RECORD_TITLE: MZ:260.16 | RT:64.6 | grpid:268 | file:2
6981 MS$FOCUSED_ION: PRECURSOR_M/Z 260.159973144531
6982 AC$CHROMATOGRAPHY: RETENTION_TIME 64.605414
6983 XCMS groupid (grpid): 268
6984 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
6985 PK$NUM_PEAK: 21
6986 PK$PEAK: m/z int. rel.int.
6987 101.071571350098 19042.111328125 15.08
6988 101.107795715332 10821.4755859375 8.57
6989 113.813926696777 2932.15478515625 2.32
6990 129.066024780273 34543.13671875 27.36
6991 129.102310180664 22668.677734375 17.95
6992 130.050155639648 4975.9365234375 3.94
6993 130.086334228516 10617.220703125 8.41
6994 132.102096557617 53785.2109375 42.59
6995 147.076370239258 34652.6015625 27.44
6996 147.11247253418 20063.236328125 15.89
6997 157.133605957031 60700.27734375 48.07
6998 169.133392333984 3979.8818359375 3.15
6999 185.128845214844 21512.177734375 17.04
7000 196.144271850586 46914.84765625 37.15
7001 197.128356933594 115787.4375 91.7
7002 225.125122070312 2980.19384765625 2.36
7003 232.593536376953 3009.87670898438 2.38
7004 242.149765014648 126271.609375 100
7005 243.134399414062 21099.544921875 16.71
7006 243.170593261719 14233.880859375 11.27
7007 260.197143554688 17110.69921875 13.55
7008
7009 RECORD_TITLE: MZ:263.196 | RT:74.3 | grpid:278 | file:1
7010 MS$FOCUSED_ION: PRECURSOR_M/Z 263.196014404297
7011 AC$CHROMATOGRAPHY: RETENTION_TIME 74.297424
7012 XCMS groupid (grpid): 278
7013 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
7014 PK$NUM_PEAK: 14
7015 PK$PEAK: m/z int. rel.int.
7016 104.229377746582 2670.97973632812 20.32
7017 125.071014404297 2436.50610351562 18.53
7018 126.956985473633 2508.49682617188 19.08
7019 132.101974487305 4779.98095703125 36.36
7020 142.271881103516 2367.89501953125 18.01
7021 143.180847167969 2537.232421875 19.3
7022 143.889801025391 2502.43676757812 19.03
7023 144.065383911133 4720.419921875 35.91
7024 147.819519042969 3093.35034179688 23.53
7025 157.270568847656 2616.5419921875 19.9
7026 162.076217651367 4974.1162109375 37.84
7027 181.096832275391 4266.16552734375 32.45
7028 199.108200073242 13146.6943359375 100
7029 215.066757202148 2878.05126953125 21.89
7030
7031 RECORD_TITLE: MZ:263.196 | RT:74.3 | grpid:278 | file:1
7032 MS$FOCUSED_ION: PRECURSOR_M/Z 263.196014404297
7033 AC$CHROMATOGRAPHY: RETENTION_TIME 74.297424
7034 XCMS groupid (grpid): 278
7035 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
7036 PK$NUM_PEAK: 14
7037 PK$PEAK: m/z int. rel.int.
7038 104.229377746582 2670.97973632812 20.32
7039 125.071014404297 2436.50610351562 18.53
7040 126.956985473633 2508.49682617188 19.08
7041 132.101974487305 4779.98095703125 36.36
7042 142.271881103516 2367.89501953125 18.01
7043 143.180847167969 2537.232421875 19.3
7044 143.889801025391 2502.43676757812 19.03
7045 144.065383911133 4720.419921875 35.91
7046 147.819519042969 3093.35034179688 23.53
7047 157.270568847656 2616.5419921875 19.9
7048 162.076217651367 4974.1162109375 37.84
7049 181.096832275391 4266.16552734375 32.45
7050 199.108200073242 13146.6943359375 100
7051 215.066757202148 2878.05126953125 21.89
7052
7053 RECORD_TITLE: MZ:263.1961 | RT:74.5 | grpid:278 | file:2
7054 MS$FOCUSED_ION: PRECURSOR_M/Z 263.196075439453
7055 AC$CHROMATOGRAPHY: RETENTION_TIME 74.45592
7056 XCMS groupid (grpid): 278
7057 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
7058 PK$NUM_PEAK: 12
7059 PK$PEAK: m/z int. rel.int.
7060 102.054862976074 2515.89672851562 15.73
7061 107.425888061523 3018.11962890625 18.88
7062 115.45637512207 3103.68212890625 19.41
7063 125.070823669434 12441.646484375 77.81
7064 132.102188110352 11508.607421875 71.97
7065 144.065383911133 3684.8544921875 23.05
7066 153.460296630859 2812.95043945312 17.59
7067 162.076293945312 5988.267578125 37.45
7068 171.07600402832 5756.02001953125 36
7069 181.097198486328 4367.5654296875 27.31
7070 199.107574462891 15989.814453125 100
7071 263.089477539062 2743.9130859375 17.16
7072
7073 RECORD_TITLE: MZ:263.1961 | RT:74.5 | grpid:278 | file:2
7074 MS$FOCUSED_ION: PRECURSOR_M/Z 263.196075439453
7075 AC$CHROMATOGRAPHY: RETENTION_TIME 74.45592
7076 XCMS groupid (grpid): 278
7077 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
7078 PK$NUM_PEAK: 12
7079 PK$PEAK: m/z int. rel.int.
7080 102.054862976074 2515.89672851562 15.73
7081 107.425888061523 3018.11962890625 18.88
7082 115.45637512207 3103.68212890625 19.41
7083 125.070823669434 12441.646484375 77.81
7084 132.102188110352 11508.607421875 71.97
7085 144.065383911133 3684.8544921875 23.05
7086 153.460296630859 2812.95043945312 17.59
7087 162.076293945312 5988.267578125 37.45
7088 171.07600402832 5756.02001953125 36
7089 181.097198486328 4367.5654296875 27.31
7090 199.107574462891 15989.814453125 100
7091 263.089477539062 2743.9130859375 17.16
7092
7093 RECORD_TITLE: MZ:265.0696 | RT:46.2 | grpid:282 | file:1
7094 MS$FOCUSED_ION: PRECURSOR_M/Z 265.069580078125
7095 AC$CHROMATOGRAPHY: RETENTION_TIME 46.161033
7096 XCMS groupid (grpid): 282
7097 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
7098 PK$NUM_PEAK: 23
7099 PK$PEAK: m/z int. rel.int.
7100 100.917625427246 6046.6025390625 8.42
7101 114.893188476562 23901.982421875 33.29
7102 120.00350189209 50695.48046875 70.6
7103 120.011451721191 4107.23486328125 5.72
7104 120.842704772949 2651.08349609375 3.69
7105 128.031997680664 10692.1181640625 14.89
7106 132.053787231445 2915.28295898438 4.06
7107 132.306900024414 2790.7412109375 3.89
7108 150.013809204102 3940.181640625 5.49
7109 159.014419555664 13139.130859375 18.3
7110 164.029174804688 12922.8828125 18
7111 168.126541137695 2528.20141601562 3.52
7112 177.024536132812 51960.16796875 72.36
7113 178.974594116211 3382.53393554688 4.71
7114 191.040161132812 40791.80078125 56.81
7115 191.076614379883 12475.3291015625 17.37
7116 203.040481567383 12859.3427734375 17.91
7117 207.014724731445 71808.90625 100
7118 207.033813476562 5442.322265625 7.58
7119 207.051803588867 15503.8115234375 21.59
7120 218.967727661133 12146.615234375 16.92
7121 221.051132202148 15837.3603515625 22.05
7122 265.072113037109 5118.56787109375 7.13
7123
7124 RECORD_TITLE: MZ:265.0696 | RT:46.2 | grpid:282 | file:1
7125 MS$FOCUSED_ION: PRECURSOR_M/Z 265.069580078125
7126 AC$CHROMATOGRAPHY: RETENTION_TIME 46.161033
7127 XCMS groupid (grpid): 282
7128 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
7129 PK$NUM_PEAK: 23
7130 PK$PEAK: m/z int. rel.int.
7131 100.917625427246 6046.6025390625 8.42
7132 114.893188476562 23901.982421875 33.29
7133 120.00350189209 50695.48046875 70.6
7134 120.011451721191 4107.23486328125 5.72
7135 120.842704772949 2651.08349609375 3.69
7136 128.031997680664 10692.1181640625 14.89
7137 132.053787231445 2915.28295898438 4.06
7138 132.306900024414 2790.7412109375 3.89
7139 150.013809204102 3940.181640625 5.49
7140 159.014419555664 13139.130859375 18.3
7141 164.029174804688 12922.8828125 18
7142 168.126541137695 2528.20141601562 3.52
7143 177.024536132812 51960.16796875 72.36
7144 178.974594116211 3382.53393554688 4.71
7145 191.040161132812 40791.80078125 56.81
7146 191.076614379883 12475.3291015625 17.37
7147 203.040481567383 12859.3427734375 17.91
7148 207.014724731445 71808.90625 100
7149 207.033813476562 5442.322265625 7.58
7150 207.051803588867 15503.8115234375 21.59
7151 218.967727661133 12146.615234375 16.92
7152 221.051132202148 15837.3603515625 22.05
7153 265.072113037109 5118.56787109375 7.13
7154
7155 RECORD_TITLE: MZ:265.0697 | RT:46.3 | grpid:282 | file:2
7156 MS$FOCUSED_ION: PRECURSOR_M/Z 265.069671630859
7157 AC$CHROMATOGRAPHY: RETENTION_TIME 46.2952926
7158 XCMS groupid (grpid): 282
7159 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
7160 PK$NUM_PEAK: 20
7161 PK$PEAK: m/z int. rel.int.
7162 100.917533874512 5757.15771484375 7.77
7163 114.893119812012 28334.666015625 38.23
7164 116.069046020508 2184.07983398438 2.95
7165 120.003402709961 52203.078125 70.44
7166 128.031951904297 2988.5576171875 4.03
7167 143.819931030273 2752.82299804688 3.71
7168 159.01416015625 9665.548828125 13.04
7169 164.029495239258 17030.798828125 22.98
7170 177.024795532227 50298.484375 67.87
7171 178.974868774414 5489.63671875 7.41
7172 191.040267944336 45181.4609375 60.96
7173 191.076950073242 13012.71484375 17.56
7174 203.040756225586 11923.9248046875 16.09
7175 205.05598449707 3205.2880859375 4.32
7176 207.014450073242 74113.671875 100
7177 207.034149169922 6027.6435546875 8.13
7178 207.051879882812 13559.623046875 18.3
7179 218.968139648438 6251.12109375 8.43
7180 221.050872802734 15376.314453125 20.75
7181 265.073425292969 5123.87353515625 6.91
7182
7183 RECORD_TITLE: MZ:265.0697 | RT:46.3 | grpid:282 | file:2
7184 MS$FOCUSED_ION: PRECURSOR_M/Z 265.069671630859
7185 AC$CHROMATOGRAPHY: RETENTION_TIME 46.2952926
7186 XCMS groupid (grpid): 282
7187 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
7188 PK$NUM_PEAK: 20
7189 PK$PEAK: m/z int. rel.int.
7190 100.917533874512 5757.15771484375 7.77
7191 114.893119812012 28334.666015625 38.23
7192 116.069046020508 2184.07983398438 2.95
7193 120.003402709961 52203.078125 70.44
7194 128.031951904297 2988.5576171875 4.03
7195 143.819931030273 2752.82299804688 3.71
7196 159.01416015625 9665.548828125 13.04
7197 164.029495239258 17030.798828125 22.98
7198 177.024795532227 50298.484375 67.87
7199 178.974868774414 5489.63671875 7.41
7200 191.040267944336 45181.4609375 60.96
7201 191.076950073242 13012.71484375 17.56
7202 203.040756225586 11923.9248046875 16.09
7203 205.05598449707 3205.2880859375 4.32
7204 207.014450073242 74113.671875 100
7205 207.034149169922 6027.6435546875 8.13
7206 207.051879882812 13559.623046875 18.3
7207 218.968139648438 6251.12109375 8.43
7208 221.050872802734 15376.314453125 20.75
7209 265.073425292969 5123.87353515625 6.91
7210
7211 RECORD_TITLE: MZ:268.9983 | RT:42.4 | grpid:298 | file:1
7212 MS$FOCUSED_ION: PRECURSOR_M/Z 268.998260498047
7213 AC$CHROMATOGRAPHY: RETENTION_TIME 42.4292958
7214 XCMS groupid (grpid): 298
7215 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
7216 PK$NUM_PEAK: 16
7217 PK$PEAK: m/z int. rel.int.
7218 104.992698669434 3048620 100
7219 112.89591217041 40926.08984375 1.34
7220 123.003486633301 4431.7578125 0.15
7221 130.049285888672 3339.44555664062 0.11
7222 135.772277832031 3055.81420898438 0.1
7223 146.018997192383 27313.734375 0.9
7224 170.042434692383 11567.099609375 0.38
7225 176.162475585938 3204.0498046875 0.11
7226 176.406677246094 3311.90942382812 0.11
7227 176.992874145508 4265.4697265625 0.14
7228 186.912292480469 32750.466796875 1.07
7229 186.995330810547 97608.78125 3.2
7230 192.990859985352 3744.81689453125 0.12
7231 204.922805786133 30499.603515625 1
7232 269.039306640625 5043.013671875 0.17
7233 269.111785888672 15881.720703125 0.52
7234
7235 RECORD_TITLE: MZ:268.9983 | RT:42.4 | grpid:298 | file:1
7236 MS$FOCUSED_ION: PRECURSOR_M/Z 268.998260498047
7237 AC$CHROMATOGRAPHY: RETENTION_TIME 42.4292958
7238 XCMS groupid (grpid): 298
7239 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
7240 PK$NUM_PEAK: 16
7241 PK$PEAK: m/z int. rel.int.
7242 104.992698669434 3048620 100
7243 112.89591217041 40926.08984375 1.34
7244 123.003486633301 4431.7578125 0.15
7245 130.049285888672 3339.44555664062 0.11
7246 135.772277832031 3055.81420898438 0.1
7247 146.018997192383 27313.734375 0.9
7248 170.042434692383 11567.099609375 0.38
7249 176.162475585938 3204.0498046875 0.11
7250 176.406677246094 3311.90942382812 0.11
7251 176.992874145508 4265.4697265625 0.14
7252 186.912292480469 32750.466796875 1.07
7253 186.995330810547 97608.78125 3.2
7254 192.990859985352 3744.81689453125 0.12
7255 204.922805786133 30499.603515625 1
7256 269.039306640625 5043.013671875 0.17
7257 269.111785888672 15881.720703125 0.52
7258
7259 RECORD_TITLE: MZ:268.9983 | RT:42.6 | grpid:298 | file:2
7260 MS$FOCUSED_ION: PRECURSOR_M/Z 268.998291015625
7261 AC$CHROMATOGRAPHY: RETENTION_TIME 42.5736636
7262 XCMS groupid (grpid): 298
7263 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
7264 PK$NUM_PEAK: 19
7265 PK$PEAK: m/z int. rel.int.
7266 104.992706298828 1722148.25 100
7267 112.896064758301 66524.015625 3.86
7268 113.738670349121 3244.43115234375 0.19
7269 115.773323059082 2838.77758789062 0.16
7270 123.003311157227 3811.267578125 0.22
7271 146.019180297852 14343.2041015625 0.83
7272 148.2451171875 3183.01879882812 0.18
7273 154.949859619141 3207.18774414062 0.19
7274 170.042373657227 14541.6875 0.84
7275 176.992538452148 6518.30615234375 0.38
7276 186.91178894043 35832.26953125 2.08
7277 186.995223999023 44461.41796875 2.58
7278 192.99055480957 13631.8642578125 0.79
7279 204.922607421875 16718.0625 0.97
7280 252.058502197266 5009.93701171875 0.29
7281 269.085510253906 8565.349609375 0.5
7282 269.111450195312 15712.990234375 0.91
7283 273.454193115234 2715.39135742188 0.16
7284 276.519256591797 3091.81103515625 0.18
7285
7286 RECORD_TITLE: MZ:268.9983 | RT:42.6 | grpid:298 | file:2
7287 MS$FOCUSED_ION: PRECURSOR_M/Z 268.998291015625
7288 AC$CHROMATOGRAPHY: RETENTION_TIME 42.5736636
7289 XCMS groupid (grpid): 298
7290 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
7291 PK$NUM_PEAK: 19
7292 PK$PEAK: m/z int. rel.int.
7293 104.992706298828 1722148.25 100
7294 112.896064758301 66524.015625 3.86
7295 113.738670349121 3244.43115234375 0.19
7296 115.773323059082 2838.77758789062 0.16
7297 123.003311157227 3811.267578125 0.22
7298 146.019180297852 14343.2041015625 0.83
7299 148.2451171875 3183.01879882812 0.18
7300 154.949859619141 3207.18774414062 0.19
7301 170.042373657227 14541.6875 0.84
7302 176.992538452148 6518.30615234375 0.38
7303 186.91178894043 35832.26953125 2.08
7304 186.995223999023 44461.41796875 2.58
7305 192.99055480957 13631.8642578125 0.79
7306 204.922607421875 16718.0625 0.97
7307 252.058502197266 5009.93701171875 0.29
7308 269.085510253906 8565.349609375 0.5
7309 269.111450195312 15712.990234375 0.91
7310 273.454193115234 2715.39135742188 0.16
7311 276.519256591797 3091.81103515625 0.18
7312
7313 RECORD_TITLE: MZ:271.0771 | RT:43.2 | grpid:301 | file:1
7314 MS$FOCUSED_ION: PRECURSOR_M/Z 271.077117919922
7315 AC$CHROMATOGRAPHY: RETENTION_TIME 43.1829192
7316 XCMS groupid (grpid): 301
7317 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
7318 PK$NUM_PEAK: 12
7319 PK$PEAK: m/z int. rel.int.
7320 100.798370361328 2806.00366210938 6.63
7321 110.071617126465 42341.19921875 100
7322 111.075332641602 3045.94897460938 7.19
7323 156.077011108398 14964.3564453125 35.34
7324 158.032180786133 3290.30541992188 7.77
7325 163.617385864258 2439.03857421875 5.76
7326 169.657821655273 2572.78466796875 6.08
7327 198.061676025391 6039.43798828125 14.26
7328 219.839691162109 3130.17553710938 7.39
7329 253.066848754883 4060.8232421875 9.59
7330 253.091262817383 3481.53759765625 8.22
7331 271.077209472656 13609.072265625 32.14
7332
7333 RECORD_TITLE: MZ:271.0771 | RT:43.2 | grpid:301 | file:1
7334 MS$FOCUSED_ION: PRECURSOR_M/Z 271.077117919922
7335 AC$CHROMATOGRAPHY: RETENTION_TIME 43.1829192
7336 XCMS groupid (grpid): 301
7337 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
7338 PK$NUM_PEAK: 12
7339 PK$PEAK: m/z int. rel.int.
7340 100.798370361328 2806.00366210938 6.63
7341 110.071617126465 42341.19921875 100
7342 111.075332641602 3045.94897460938 7.19
7343 156.077011108398 14964.3564453125 35.34
7344 158.032180786133 3290.30541992188 7.77
7345 163.617385864258 2439.03857421875 5.76
7346 169.657821655273 2572.78466796875 6.08
7347 198.061676025391 6039.43798828125 14.26
7348 219.839691162109 3130.17553710938 7.39
7349 253.066848754883 4060.8232421875 9.59
7350 253.091262817383 3481.53759765625 8.22
7351 271.077209472656 13609.072265625 32.14
7352
7353 RECORD_TITLE: MZ:271.0772 | RT:43.3 | grpid:301 | file:2
7354 MS$FOCUSED_ION: PRECURSOR_M/Z 271.077239990234
7355 AC$CHROMATOGRAPHY: RETENTION_TIME 43.3414116
7356 XCMS groupid (grpid): 301
7357 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
7358 PK$NUM_PEAK: 14
7359 PK$PEAK: m/z int. rel.int.
7360 110.071556091309 39801.6875 100
7361 111.075408935547 2643.5830078125 6.64
7362 117.264106750488 3449.95263671875 8.67
7363 135.01220703125 2765.78369140625 6.95
7364 136.086898803711 2483.94384765625 6.24
7365 156.076965332031 16494.17578125 41.44
7366 173.054168701172 2505.51416015625 6.29
7367 198.06184387207 4598.93310546875 11.55
7368 225.099304199219 2903.80541992188 7.3
7369 227.087280273438 3164.86669921875 7.95
7370 253.068557739258 3641.54418945312 9.15
7371 253.093139648438 4878.31689453125 12.26
7372 254.050476074219 4631.060546875 11.64
7373 271.078033447266 15260.291015625 38.34
7374
7375 RECORD_TITLE: MZ:271.0772 | RT:43.3 | grpid:301 | file:2
7376 MS$FOCUSED_ION: PRECURSOR_M/Z 271.077239990234
7377 AC$CHROMATOGRAPHY: RETENTION_TIME 43.3414116
7378 XCMS groupid (grpid): 301
7379 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
7380 PK$NUM_PEAK: 14
7381 PK$PEAK: m/z int. rel.int.
7382 110.071556091309 39801.6875 100
7383 111.075408935547 2643.5830078125 6.64
7384 117.264106750488 3449.95263671875 8.67
7385 135.01220703125 2765.78369140625 6.95
7386 136.086898803711 2483.94384765625 6.24
7387 156.076965332031 16494.17578125 41.44
7388 173.054168701172 2505.51416015625 6.29
7389 198.06184387207 4598.93310546875 11.55
7390 225.099304199219 2903.80541992188 7.3
7391 227.087280273438 3164.86669921875 7.95
7392 253.068557739258 3641.54418945312 9.15
7393 253.093139648438 4878.31689453125 12.26
7394 254.050476074219 4631.060546875 11.64
7395 271.078033447266 15260.291015625 38.34
7396
7397 RECORD_TITLE: MZ:272.1712 | RT:59.1 | grpid:303 | file:1
7398 MS$FOCUSED_ION: PRECURSOR_M/Z 272.171234130859
7399 AC$CHROMATOGRAPHY: RETENTION_TIME 59.113914
7400 XCMS groupid (grpid): 303
7401 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
7402 PK$NUM_PEAK: 32
7403 PK$PEAK: m/z int. rel.int.
7404 100.07633972168 3624.96484375 0.64
7405 110.071624755859 6275.3115234375 1.11
7406 112.087265014648 175758.65625 30.99
7407 115.086738586426 20811.6875 3.67
7408 116.070915222168 304087.375 53.62
7409 125.071640014648 3976.06372070312 0.7
7410 128.070922851562 5499.0419921875 0.97
7411 130.097778320312 13411.0283203125 2.36
7412 138.055297851562 6954.76220703125 1.23
7413 140.081893920898 35304.9453125 6.22
7414 151.123229980469 12178.4716796875 2.15
7415 157.108322143555 67676.390625 11.93
7416 158.092529296875 76122.3046875 13.42
7417 168.990570068359 5556.48046875 0.98
7418 172.952041625977 5756.025390625 1.01
7419 172.985656738281 6526.55126953125 1.15
7420 175.118927001953 318458 56.15
7421 181.985992431641 17521.47265625 3.09
7422 192.113143920898 12812.8310546875 2.26
7423 194.129241943359 4256.27783203125 0.75
7424 195.113082885742 63606.453125 11.21
7425 196.081298828125 3017.048828125 0.53
7426 196.096252441406 22935.0234375 4.04
7427 199.995834350586 3417.10375976562 0.6
7428 212.139129638672 3249.7724609375 0.57
7429 213.123245239258 167619.078125 29.55
7430 213.143768310547 5725.1005859375 1.01
7431 237.134216308594 3826.31689453125 0.67
7432 238.11897277832 25840.982421875 4.56
7433 254.161376953125 56754.59765625 10.01
7434 255.14501953125 149334.96875 26.33
7435 272.171447753906 567159.9375 100
7436
7437 RECORD_TITLE: MZ:272.1712 | RT:59.1 | grpid:303 | file:1
7438 MS$FOCUSED_ION: PRECURSOR_M/Z 272.171234130859
7439 AC$CHROMATOGRAPHY: RETENTION_TIME 59.113914
7440 XCMS groupid (grpid): 303
7441 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
7442 PK$NUM_PEAK: 32
7443 PK$PEAK: m/z int. rel.int.
7444 100.07633972168 3624.96484375 0.64
7445 110.071624755859 6275.3115234375 1.11
7446 112.087265014648 175758.65625 30.99
7447 115.086738586426 20811.6875 3.67
7448 116.070915222168 304087.375 53.62
7449 125.071640014648 3976.06372070312 0.7
7450 128.070922851562 5499.0419921875 0.97
7451 130.097778320312 13411.0283203125 2.36
7452 138.055297851562 6954.76220703125 1.23
7453 140.081893920898 35304.9453125 6.22
7454 151.123229980469 12178.4716796875 2.15
7455 157.108322143555 67676.390625 11.93
7456 158.092529296875 76122.3046875 13.42
7457 168.990570068359 5556.48046875 0.98
7458 172.952041625977 5756.025390625 1.01
7459 172.985656738281 6526.55126953125 1.15
7460 175.118927001953 318458 56.15
7461 181.985992431641 17521.47265625 3.09
7462 192.113143920898 12812.8310546875 2.26
7463 194.129241943359 4256.27783203125 0.75
7464 195.113082885742 63606.453125 11.21
7465 196.081298828125 3017.048828125 0.53
7466 196.096252441406 22935.0234375 4.04
7467 199.995834350586 3417.10375976562 0.6
7468 212.139129638672 3249.7724609375 0.57
7469 213.123245239258 167619.078125 29.55
7470 213.143768310547 5725.1005859375 1.01
7471 237.134216308594 3826.31689453125 0.67
7472 238.11897277832 25840.982421875 4.56
7473 254.161376953125 56754.59765625 10.01
7474 255.14501953125 149334.96875 26.33
7475 272.171447753906 567159.9375 100
7476
7477 RECORD_TITLE: MZ:272.1712 | RT:59.1 | grpid:303 | file:1
7478 MS$FOCUSED_ION: PRECURSOR_M/Z 272.171203613281
7479 AC$CHROMATOGRAPHY: RETENTION_TIME 59.113914
7480 XCMS groupid (grpid): 303
7481 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
7482 PK$NUM_PEAK: 34
7483 PK$PEAK: m/z int. rel.int.
7484 100.076034545898 19949.189453125 2.17
7485 112.087242126465 329485.15625 35.8
7486 113.071655273438 4598.30322265625 0.5
7487 114.05598449707 3411.90991210938 0.37
7488 114.103385925293 3633.01293945312 0.39
7489 115.086898803711 33303.1328125 3.62
7490 116.070877075195 507324.21875 55.12
7491 127.050193786621 6445.1923828125 0.7
7492 128.070724487305 7702.47216796875 0.84
7493 130.097549438477 21197.5234375 2.3
7494 140.08171081543 49894.98046875 5.42
7495 141.258346557617 3243.73388671875 0.35
7496 144.065307617188 4190.72900390625 0.46
7497 151.123031616211 17538.5546875 1.91
7498 154.034561157227 3980.0673828125 0.43
7499 157.108322143555 116164.6953125 12.62
7500 158.092330932617 116809.53125 12.69
7501 167.118408203125 5790.71630859375 0.63
7502 173.092254638672 4668.1748046875 0.51
7503 175.118896484375 520665.75 56.57
7504 181.985855102539 15454.2802734375 1.68
7505 192.113082885742 19024.90625 2.07
7506 194.128997802734 29506.46875 3.21
7507 195.11296081543 112700.2421875 12.24
7508 196.09651184082 45396.34765625 4.93
7509 209.139068603516 5848.64697265625 0.64
7510 212.139724731445 4401.76123046875 0.48
7511 213.123275756836 305202.9375 33.16
7512 226.11799621582 8838.80078125 0.96
7513 237.13410949707 6041.72412109375 0.66
7514 238.117752075195 52792.4453125 5.74
7515 254.160827636719 98623.3671875 10.71
7516 255.14485168457 256106.625 27.82
7517 272.171356201172 920466.25 100
7518
7519 RECORD_TITLE: MZ:272.1712 | RT:59.1 | grpid:303 | file:1
7520 MS$FOCUSED_ION: PRECURSOR_M/Z 272.171203613281
7521 AC$CHROMATOGRAPHY: RETENTION_TIME 59.113914
7522 XCMS groupid (grpid): 303
7523 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
7524 PK$NUM_PEAK: 34
7525 PK$PEAK: m/z int. rel.int.
7526 100.076034545898 19949.189453125 2.17
7527 112.087242126465 329485.15625 35.8
7528 113.071655273438 4598.30322265625 0.5
7529 114.05598449707 3411.90991210938 0.37
7530 114.103385925293 3633.01293945312 0.39
7531 115.086898803711 33303.1328125 3.62
7532 116.070877075195 507324.21875 55.12
7533 127.050193786621 6445.1923828125 0.7
7534 128.070724487305 7702.47216796875 0.84
7535 130.097549438477 21197.5234375 2.3
7536 140.08171081543 49894.98046875 5.42
7537 141.258346557617 3243.73388671875 0.35
7538 144.065307617188 4190.72900390625 0.46
7539 151.123031616211 17538.5546875 1.91
7540 154.034561157227 3980.0673828125 0.43
7541 157.108322143555 116164.6953125 12.62
7542 158.092330932617 116809.53125 12.69
7543 167.118408203125 5790.71630859375 0.63
7544 173.092254638672 4668.1748046875 0.51
7545 175.118896484375 520665.75 56.57
7546 181.985855102539 15454.2802734375 1.68
7547 192.113082885742 19024.90625 2.07
7548 194.128997802734 29506.46875 3.21
7549 195.11296081543 112700.2421875 12.24
7550 196.09651184082 45396.34765625 4.93
7551 209.139068603516 5848.64697265625 0.64
7552 212.139724731445 4401.76123046875 0.48
7553 213.123275756836 305202.9375 33.16
7554 226.11799621582 8838.80078125 0.96
7555 237.13410949707 6041.72412109375 0.66
7556 238.117752075195 52792.4453125 5.74
7557 254.160827636719 98623.3671875 10.71
7558 255.14485168457 256106.625 27.82
7559 272.171356201172 920466.25 100
7560
7561 RECORD_TITLE: MZ:272.1713 | RT:58.5 | grpid:303 | file:2
7562 MS$FOCUSED_ION: PRECURSOR_M/Z 272.171264648438
7563 AC$CHROMATOGRAPHY: RETENTION_TIME 58.478901
7564 XCMS groupid (grpid): 303
7565 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
7566 PK$NUM_PEAK: 34
7567 PK$PEAK: m/z int. rel.int.
7568 100.076301574707 12496.2763671875 2.84
7569 110.071594238281 5312.72412109375 1.21
7570 112.087257385254 152846.46875 34.69
7571 115.086975097656 22548.0546875 5.12
7572 116.070877075195 247863.4375 56.26
7573 123.485488891602 3156.89135742188 0.72
7574 130.09765625 12298.248046875 2.79
7575 130.525375366211 2623.5224609375 0.6
7576 134.102203369141 2664.96557617188 0.6
7577 138.054794311523 6436.328125 1.46
7578 140.081756591797 30080.09765625 6.83
7579 151.123260498047 14185.83984375 3.22
7580 157.108459472656 57874.73046875 13.14
7581 158.092315673828 64098.03125 14.55
7582 168.10139465332 3220.1953125 0.73
7583 168.990631103516 13845.9501953125 3.14
7584 172.985427856445 7066.3515625 1.6
7585 175.118957519531 270028.03125 61.29
7586 176.587432861328 2728.27294921875 0.62
7587 181.986038208008 22713.583984375 5.16
7588 192.113357543945 5927.8525390625 1.35
7589 194.129089355469 5476.8466796875 1.24
7590 195.112716674805 56682.96875 12.87
7591 196.096603393555 16365.4228515625 3.71
7592 199.996536254883 4580.322265625 1.04
7593 213.123229980469 137082.34375 31.11
7594 213.143600463867 4656.78369140625 1.06
7595 223.013259887695 3245.58422851562 0.74
7596 226.118911743164 5308.62109375 1.2
7597 232.815322875977 2904.64306640625 0.66
7598 238.118347167969 22576.728515625 5.12
7599 254.160858154297 54065.60546875 12.27
7600 255.145080566406 131171.484375 29.77
7601 272.171447753906 440583.8125 100
7602
7603 RECORD_TITLE: MZ:272.1713 | RT:58.5 | grpid:303 | file:2
7604 MS$FOCUSED_ION: PRECURSOR_M/Z 272.171264648438
7605 AC$CHROMATOGRAPHY: RETENTION_TIME 58.478901
7606 XCMS groupid (grpid): 303
7607 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
7608 PK$NUM_PEAK: 34
7609 PK$PEAK: m/z int. rel.int.
7610 100.076301574707 12496.2763671875 2.84
7611 110.071594238281 5312.72412109375 1.21
7612 112.087257385254 152846.46875 34.69
7613 115.086975097656 22548.0546875 5.12
7614 116.070877075195 247863.4375 56.26
7615 123.485488891602 3156.89135742188 0.72
7616 130.09765625 12298.248046875 2.79
7617 130.525375366211 2623.5224609375 0.6
7618 134.102203369141 2664.96557617188 0.6
7619 138.054794311523 6436.328125 1.46
7620 140.081756591797 30080.09765625 6.83
7621 151.123260498047 14185.83984375 3.22
7622 157.108459472656 57874.73046875 13.14
7623 158.092315673828 64098.03125 14.55
7624 168.10139465332 3220.1953125 0.73
7625 168.990631103516 13845.9501953125 3.14
7626 172.985427856445 7066.3515625 1.6
7627 175.118957519531 270028.03125 61.29
7628 176.587432861328 2728.27294921875 0.62
7629 181.986038208008 22713.583984375 5.16
7630 192.113357543945 5927.8525390625 1.35
7631 194.129089355469 5476.8466796875 1.24
7632 195.112716674805 56682.96875 12.87
7633 196.096603393555 16365.4228515625 3.71
7634 199.996536254883 4580.322265625 1.04
7635 213.123229980469 137082.34375 31.11
7636 213.143600463867 4656.78369140625 1.06
7637 223.013259887695 3245.58422851562 0.74
7638 226.118911743164 5308.62109375 1.2
7639 232.815322875977 2904.64306640625 0.66
7640 238.118347167969 22576.728515625 5.12
7641 254.160858154297 54065.60546875 12.27
7642 255.145080566406 131171.484375 29.77
7643 272.171447753906 440583.8125 100
7644
7645 RECORD_TITLE: MZ:272.1712 | RT:58.5 | grpid:303 | file:2
7646 MS$FOCUSED_ION: PRECURSOR_M/Z 272.171234130859
7647 AC$CHROMATOGRAPHY: RETENTION_TIME 58.478901
7648 XCMS groupid (grpid): 303
7649 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
7650 PK$NUM_PEAK: 35
7651 PK$PEAK: m/z int. rel.int.
7652 100.076278686523 18250.01171875 2.04
7653 110.023941040039 4066.50732421875 0.45
7654 112.087242126465 324019.03125 36.24
7655 115.086524963379 41846.90234375 4.68
7656 116.07088470459 462302.96875 51.71
7657 125.071365356445 8344.171875 0.93
7658 127.05054473877 6366.69580078125 0.71
7659 128.070617675781 5714.35791015625 0.64
7660 129.674026489258 3974.34008789062 0.44
7661 130.050064086914 8027.97314453125 0.9
7662 130.097732543945 17174.51953125 1.92
7663 140.08171081543 40003.15625 4.47
7664 151.122909545898 17529.361328125 1.96
7665 157.108337402344 115884.90625 12.96
7666 158.092483520508 122361.421875 13.69
7667 167.118255615234 6129.56298828125 0.69
7668 175.118927001953 493274.59375 55.17
7669 181.986572265625 4157.38818359375 0.47
7670 182.080230712891 3442.48120117188 0.39
7671 185.103530883789 4269.2392578125 0.48
7672 192.112457275391 8776.1298828125 0.98
7673 194.128646850586 20466.5078125 2.29
7674 195.113037109375 99558.7109375 11.14
7675 196.096343994141 38243.72265625 4.28
7676 209.092132568359 3605.17626953125 0.4
7677 209.139144897461 4868.466796875 0.54
7678 212.139236450195 6368.39599609375 0.71
7679 213.123306274414 285096.875 31.89
7680 226.118835449219 9073.8974609375 1.01
7681 238.117828369141 50502.14453125 5.65
7682 254.160919189453 95590.828125 10.69
7683 255.11735534668 6694.04296875 0.75
7684 255.122634887695 4730.10205078125 0.53
7685 255.144790649414 253964.265625 28.41
7686 272.171417236328 894020.5625 100
7687
7688 RECORD_TITLE: MZ:272.1712 | RT:58.5 | grpid:303 | file:2
7689 MS$FOCUSED_ION: PRECURSOR_M/Z 272.171234130859
7690 AC$CHROMATOGRAPHY: RETENTION_TIME 58.478901
7691 XCMS groupid (grpid): 303
7692 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
7693 PK$NUM_PEAK: 35
7694 PK$PEAK: m/z int. rel.int.
7695 100.076278686523 18250.01171875 2.04
7696 110.023941040039 4066.50732421875 0.45
7697 112.087242126465 324019.03125 36.24
7698 115.086524963379 41846.90234375 4.68
7699 116.07088470459 462302.96875 51.71
7700 125.071365356445 8344.171875 0.93
7701 127.05054473877 6366.69580078125 0.71
7702 128.070617675781 5714.35791015625 0.64
7703 129.674026489258 3974.34008789062 0.44
7704 130.050064086914 8027.97314453125 0.9
7705 130.097732543945 17174.51953125 1.92
7706 140.08171081543 40003.15625 4.47
7707 151.122909545898 17529.361328125 1.96
7708 157.108337402344 115884.90625 12.96
7709 158.092483520508 122361.421875 13.69
7710 167.118255615234 6129.56298828125 0.69
7711 175.118927001953 493274.59375 55.17
7712 181.986572265625 4157.38818359375 0.47
7713 182.080230712891 3442.48120117188 0.39
7714 185.103530883789 4269.2392578125 0.48
7715 192.112457275391 8776.1298828125 0.98
7716 194.128646850586 20466.5078125 2.29
7717 195.113037109375 99558.7109375 11.14
7718 196.096343994141 38243.72265625 4.28
7719 209.092132568359 3605.17626953125 0.4
7720 209.139144897461 4868.466796875 0.54
7721 212.139236450195 6368.39599609375 0.71
7722 213.123306274414 285096.875 31.89
7723 226.118835449219 9073.8974609375 1.01
7724 238.117828369141 50502.14453125 5.65
7725 254.160919189453 95590.828125 10.69
7726 255.11735534668 6694.04296875 0.75
7727 255.122634887695 4730.10205078125 0.53
7728 255.144790649414 253964.265625 28.41
7729 272.171417236328 894020.5625 100
7730
7731 RECORD_TITLE: MZ:274.1756 | RT:93.5 | grpid:306 | file:1
7732 MS$FOCUSED_ION: PRECURSOR_M/Z 274.175598144531
7733 AC$CHROMATOGRAPHY: RETENTION_TIME 93.504684
7734 XCMS groupid (grpid): 306
7735 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
7736 PK$NUM_PEAK: 6
7737 PK$PEAK: m/z int. rel.int.
7738 101.068878173828 3083.6005859375 1.26
7739 115.086715698242 3843.61743164062 1.57
7740 157.133575439453 244224.890625 100
7741 161.092071533203 185869.75 76.11
7742 161.105804443359 4702.1435546875 1.93
7743 185.128646850586 95068.3203125 38.93
7744
7745 RECORD_TITLE: MZ:274.1756 | RT:93.5 | grpid:306 | file:1
7746 MS$FOCUSED_ION: PRECURSOR_M/Z 274.175598144531
7747 AC$CHROMATOGRAPHY: RETENTION_TIME 93.504684
7748 XCMS groupid (grpid): 306
7749 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
7750 PK$NUM_PEAK: 6
7751 PK$PEAK: m/z int. rel.int.
7752 101.068878173828 3083.6005859375 1.26
7753 115.086715698242 3843.61743164062 1.57
7754 157.133575439453 244224.890625 100
7755 161.092071533203 185869.75 76.11
7756 161.105804443359 4702.1435546875 1.93
7757 185.128646850586 95068.3203125 38.93
7758
7759 RECORD_TITLE: MZ:274.1758 | RT:93.5 | grpid:306 | file:1
7760 MS$FOCUSED_ION: PRECURSOR_M/Z 274.175750732422
7761 AC$CHROMATOGRAPHY: RETENTION_TIME 93.504684
7762 XCMS groupid (grpid): 306
7763 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
7764 PK$NUM_PEAK: 13
7765 PK$PEAK: m/z int. rel.int.
7766 111.12141418457 2919.10546875 3.48
7767 118.139419555664 2762.68212890625 3.29
7768 152.241439819336 2889.55200195312 3.44
7769 157.133407592773 43877.9140625 52.24
7770 161.092407226562 20549.56640625 24.46
7771 171.149154663086 83996.7734375 100
7772 171.16291809082 5722.12744140625 6.81
7773 175.107849121094 28270.609375 33.66
7774 185.128463745117 11578.7451171875 13.78
7775 199.144088745117 10817.66796875 12.88
7776 203.91975402832 2890.12939453125 3.44
7777 213.804061889648 2904.75952148438 3.46
7778 293.943817138672 3003.84594726562 3.58
7779
7780 RECORD_TITLE: MZ:274.1758 | RT:93.5 | grpid:306 | file:1
7781 MS$FOCUSED_ION: PRECURSOR_M/Z 274.175750732422
7782 AC$CHROMATOGRAPHY: RETENTION_TIME 93.504684
7783 XCMS groupid (grpid): 306
7784 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
7785 PK$NUM_PEAK: 13
7786 PK$PEAK: m/z int. rel.int.
7787 111.12141418457 2919.10546875 3.48
7788 118.139419555664 2762.68212890625 3.29
7789 152.241439819336 2889.55200195312 3.44
7790 157.133407592773 43877.9140625 52.24
7791 161.092407226562 20549.56640625 24.46
7792 171.149154663086 83996.7734375 100
7793 171.16291809082 5722.12744140625 6.81
7794 175.107849121094 28270.609375 33.66
7795 185.128463745117 11578.7451171875 13.78
7796 199.144088745117 10817.66796875 12.88
7797 203.91975402832 2890.12939453125 3.44
7798 213.804061889648 2904.75952148438 3.46
7799 293.943817138672 3003.84594726562 3.58
7800
7801 RECORD_TITLE: MZ:274.1757 | RT:93.7 | grpid:306 | file:2
7802 MS$FOCUSED_ION: PRECURSOR_M/Z 274.175689697266
7803 AC$CHROMATOGRAPHY: RETENTION_TIME 93.704046
7804 XCMS groupid (grpid): 306
7805 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
7806 PK$NUM_PEAK: 9
7807 PK$PEAK: m/z int. rel.int.
7808 115.086883544922 4926.205078125 1.98
7809 134.339370727539 3014.974609375 1.21
7810 157.133544921875 248792.71875 100
7811 161.092025756836 181333.03125 72.89
7812 171.149322509766 4819.44921875 1.94
7813 185.128479003906 103656.1328125 41.66
7814 185.144317626953 3739.43701171875 1.5
7815 240.998413085938 3096.86401367188 1.24
7816 244.528472900391 3161.3740234375 1.27
7817
7818 RECORD_TITLE: MZ:274.1757 | RT:93.7 | grpid:306 | file:2
7819 MS$FOCUSED_ION: PRECURSOR_M/Z 274.175689697266
7820 AC$CHROMATOGRAPHY: RETENTION_TIME 93.704046
7821 XCMS groupid (grpid): 306
7822 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
7823 PK$NUM_PEAK: 9
7824 PK$PEAK: m/z int. rel.int.
7825 115.086883544922 4926.205078125 1.98
7826 134.339370727539 3014.974609375 1.21
7827 157.133544921875 248792.71875 100
7828 161.092025756836 181333.03125 72.89
7829 171.149322509766 4819.44921875 1.94
7830 185.128479003906 103656.1328125 41.66
7831 185.144317626953 3739.43701171875 1.5
7832 240.998413085938 3096.86401367188 1.24
7833 244.528472900391 3161.3740234375 1.27
7834
7835 RECORD_TITLE: MZ:274.1758 | RT:93.7 | grpid:306 | file:2
7836 MS$FOCUSED_ION: PRECURSOR_M/Z 274.175811767578
7837 AC$CHROMATOGRAPHY: RETENTION_TIME 93.704046
7838 XCMS groupid (grpid): 306
7839 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
7840 PK$NUM_PEAK: 8
7841 PK$PEAK: m/z int. rel.int.
7842 107.794586181641 2516.4248046875 3.03
7843 157.133987426758 35312.12890625 42.52
7844 161.092620849609 22569.705078125 27.18
7845 171.149185180664 83047.671875 100
7846 171.217880249023 2739.57739257812 3.3
7847 175.107727050781 28410.375 34.21
7848 185.129318237305 11420.4775390625 13.75
7849 199.144180297852 6829.45703125 8.22
7850
7851 RECORD_TITLE: MZ:274.1758 | RT:93.7 | grpid:306 | file:2
7852 MS$FOCUSED_ION: PRECURSOR_M/Z 274.175811767578
7853 AC$CHROMATOGRAPHY: RETENTION_TIME 93.704046
7854 XCMS groupid (grpid): 306
7855 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
7856 PK$NUM_PEAK: 8
7857 PK$PEAK: m/z int. rel.int.
7858 107.794586181641 2516.4248046875 3.03
7859 157.133987426758 35312.12890625 42.52
7860 161.092620849609 22569.705078125 27.18
7861 171.149185180664 83047.671875 100
7862 171.217880249023 2739.57739257812 3.3
7863 175.107727050781 28410.375 34.21
7864 185.129318237305 11420.4775390625 13.75
7865 199.144180297852 6829.45703125 8.22
7866
7867 RECORD_TITLE: MZ:277.1027 | RT:34 | grpid:311 | file:1
7868 MS$FOCUSED_ION: PRECURSOR_M/Z 277.102722167969
7869 AC$CHROMATOGRAPHY: RETENTION_TIME 34.0415226
7870 XCMS groupid (grpid): 311
7871 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
7872 PK$NUM_PEAK: 11
7873 PK$PEAK: m/z int. rel.int.
7874 102.055252075195 19285.34375 57.12
7875 103.058700561523 11779.50390625 34.89
7876 121.485000610352 2537.43798828125 7.52
7877 130.049957275391 33762.67578125 100
7878 131.053573608398 31767.23828125 94.09
7879 135.140594482422 2774.06518554688 8.22
7880 142.942428588867 2860.3330078125 8.47
7881 148.060012817383 26213.484375 77.64
7882 149.06379699707 17484.365234375 51.79
7883 242.084671020508 14739.18359375 43.66
7884 260.095520019531 9966.8857421875 29.52
7885
7886 RECORD_TITLE: MZ:277.1027 | RT:34 | grpid:311 | file:1
7887 MS$FOCUSED_ION: PRECURSOR_M/Z 277.102722167969
7888 AC$CHROMATOGRAPHY: RETENTION_TIME 34.0415226
7889 XCMS groupid (grpid): 311
7890 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
7891 PK$NUM_PEAK: 11
7892 PK$PEAK: m/z int. rel.int.
7893 102.055252075195 19285.34375 57.12
7894 103.058700561523 11779.50390625 34.89
7895 121.485000610352 2537.43798828125 7.52
7896 130.049957275391 33762.67578125 100
7897 131.053573608398 31767.23828125 94.09
7898 135.140594482422 2774.06518554688 8.22
7899 142.942428588867 2860.3330078125 8.47
7900 148.060012817383 26213.484375 77.64
7901 149.06379699707 17484.365234375 51.79
7902 242.084671020508 14739.18359375 43.66
7903 260.095520019531 9966.8857421875 29.52
7904
7905 RECORD_TITLE: MZ:277.1027 | RT:35 | grpid:311 | file:2
7906 MS$FOCUSED_ION: PRECURSOR_M/Z 277.102691650391
7907 AC$CHROMATOGRAPHY: RETENTION_TIME 34.9703976
7908 XCMS groupid (grpid): 311
7909 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
7910 PK$NUM_PEAK: 14
7911 PK$PEAK: m/z int. rel.int.
7912 101.117088317871 2863.08325195312 3.5
7913 102.055404663086 50160.4453125 61.35
7914 130.049987792969 81759.015625 100
7915 137.712448120117 2819.294921875 3.45
7916 145.24836730957 2623.4052734375 3.21
7917 148.060333251953 60141.9609375 73.56
7918 168.065719604492 10804.6103515625 13.22
7919 187.943496704102 2877.6943359375 3.52
7920 195.076248168945 5258.607421875 6.43
7921 214.070541381836 3659.35961914062 4.48
7922 241.082122802734 18428.041015625 22.54
7923 259.091766357422 11490.0615234375 14.05
7924 260.077758789062 3573.9892578125 4.37
7925 296.483093261719 2672.47143554688 3.27
7926
7927 RECORD_TITLE: MZ:277.1027 | RT:35 | grpid:311 | file:2
7928 MS$FOCUSED_ION: PRECURSOR_M/Z 277.102691650391
7929 AC$CHROMATOGRAPHY: RETENTION_TIME 34.9703976
7930 XCMS groupid (grpid): 311
7931 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
7932 PK$NUM_PEAK: 14
7933 PK$PEAK: m/z int. rel.int.
7934 101.117088317871 2863.08325195312 3.5
7935 102.055404663086 50160.4453125 61.35
7936 130.049987792969 81759.015625 100
7937 137.712448120117 2819.294921875 3.45
7938 145.24836730957 2623.4052734375 3.21
7939 148.060333251953 60141.9609375 73.56
7940 168.065719604492 10804.6103515625 13.22
7941 187.943496704102 2877.6943359375 3.52
7942 195.076248168945 5258.607421875 6.43
7943 214.070541381836 3659.35961914062 4.48
7944 241.082122802734 18428.041015625 22.54
7945 259.091766357422 11490.0615234375 14.05
7946 260.077758789062 3573.9892578125 4.37
7947 296.483093261719 2672.47143554688 3.27
7948
7949 RECORD_TITLE: MZ:277.1027 | RT:35 | grpid:311 | file:2
7950 MS$FOCUSED_ION: PRECURSOR_M/Z 277.102661132812
7951 AC$CHROMATOGRAPHY: RETENTION_TIME 34.9703976
7952 XCMS groupid (grpid): 311
7953 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
7954 PK$NUM_PEAK: 23
7955 PK$PEAK: m/z int. rel.int.
7956 102.055404663086 72120.984375 65.76
7957 103.05867767334 48864.07421875 44.55
7958 111.366973876953 2833.31323242188 2.58
7959 130.050003051758 109676.109375 100
7960 131.05354309082 100056.453125 91.23
7961 148.060394287109 86676.734375 79.03
7962 149.064056396484 78624.0078125 71.69
7963 168.065765380859 5124.88134765625 4.67
7964 168.085021972656 3935.74194335938 3.59
7965 169.069152832031 19103.474609375 17.42
7966 171.077941894531 3176.71948242188 2.9
7967 196.0625 2881.5732421875 2.63
7968 196.079696655273 10778.5263671875 9.83
7969 197.063247680664 10964.5751953125 10
7970 200.51123046875 2897.78002929688 2.64
7971 214.089920043945 3769.673828125 3.44
7972 215.074676513672 16016.048828125 14.6
7973 216.662963867188 3348.08642578125 3.05
7974 242.08576965332 19153.349609375 17.46
7975 243.068954467773 3263.1953125 2.98
7976 260.096435546875 13470.7333984375 12.28
7977 261.079376220703 10932.662109375 9.97
7978 278.105987548828 5054.4541015625 4.61
7979
7980 RECORD_TITLE: MZ:277.1027 | RT:35 | grpid:311 | file:2
7981 MS$FOCUSED_ION: PRECURSOR_M/Z 277.102661132812
7982 AC$CHROMATOGRAPHY: RETENTION_TIME 34.9703976
7983 XCMS groupid (grpid): 311
7984 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
7985 PK$NUM_PEAK: 23
7986 PK$PEAK: m/z int. rel.int.
7987 102.055404663086 72120.984375 65.76
7988 103.05867767334 48864.07421875 44.55
7989 111.366973876953 2833.31323242188 2.58
7990 130.050003051758 109676.109375 100
7991 131.05354309082 100056.453125 91.23
7992 148.060394287109 86676.734375 79.03
7993 149.064056396484 78624.0078125 71.69
7994 168.065765380859 5124.88134765625 4.67
7995 168.085021972656 3935.74194335938 3.59
7996 169.069152832031 19103.474609375 17.42
7997 171.077941894531 3176.71948242188 2.9
7998 196.0625 2881.5732421875 2.63
7999 196.079696655273 10778.5263671875 9.83
8000 197.063247680664 10964.5751953125 10
8001 200.51123046875 2897.78002929688 2.64
8002 214.089920043945 3769.673828125 3.44
8003 215.074676513672 16016.048828125 14.6
8004 216.662963867188 3348.08642578125 3.05
8005 242.08576965332 19153.349609375 17.46
8006 243.068954467773 3263.1953125 2.98
8007 260.096435546875 13470.7333984375 12.28
8008 261.079376220703 10932.662109375 9.97
8009 278.105987548828 5054.4541015625 4.61
8010
8011 RECORD_TITLE: MZ:279.1005 | RT:63.7 | grpid:313 | file:1
8012 MS$FOCUSED_ION: PRECURSOR_M/Z 279.100494384766
8013 AC$CHROMATOGRAPHY: RETENTION_TIME 63.683916
8014 XCMS groupid (grpid): 313
8015 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
8016 PK$NUM_PEAK: 27
8017 PK$PEAK: m/z int. rel.int.
8018 102.055374145508 99060.15625 12.22
8019 104.053268432617 810346.25 100
8020 105.037216186523 4860.92724609375 0.6
8021 105.119819641113 3536.46728515625 0.44
8022 121.028755187988 4230.94873046875 0.52
8023 122.060264587402 48331.40625 5.96
8024 130.049957275391 166260.296875 20.52
8025 130.059768676758 5725.16845703125 0.71
8026 131.016021728516 21972.888671875 2.71
8027 133.031845092773 643111.375 79.36
8028 136.075653076172 6655.1328125 0.82
8029 138.59294128418 3106.81518554688 0.38
8030 140.033798217773 4807.77783203125 0.59
8031 140.070190429688 5408.396484375 0.67
8032 142.049545288086 3321.40600585938 0.41
8033 147.306976318359 3170.48095703125 0.39
8034 149.023406982422 131090.984375 16.18
8035 150.058334350586 539588 66.59
8036 153.8173828125 2858.638671875 0.35
8037 167.081314086914 15029.8408203125 1.85
8038 168.065551757812 121723.78125 15.02
8039 170.062957763672 31012.787109375 3.83
8040 185.091812133789 4823.31982421875 0.6
8041 186.126800537109 3235.509765625 0.4
8042 216.06852722168 75573.1875 9.33
8043 262.074645996094 45437.76171875 5.61
8044 279.099304199219 7316.77685546875 0.9
8045
8046 RECORD_TITLE: MZ:279.1005 | RT:63.7 | grpid:313 | file:1
8047 MS$FOCUSED_ION: PRECURSOR_M/Z 279.100494384766
8048 AC$CHROMATOGRAPHY: RETENTION_TIME 63.683916
8049 XCMS groupid (grpid): 313
8050 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
8051 PK$NUM_PEAK: 27
8052 PK$PEAK: m/z int. rel.int.
8053 102.055374145508 99060.15625 12.22
8054 104.053268432617 810346.25 100
8055 105.037216186523 4860.92724609375 0.6
8056 105.119819641113 3536.46728515625 0.44
8057 121.028755187988 4230.94873046875 0.52
8058 122.060264587402 48331.40625 5.96
8059 130.049957275391 166260.296875 20.52
8060 130.059768676758 5725.16845703125 0.71
8061 131.016021728516 21972.888671875 2.71
8062 133.031845092773 643111.375 79.36
8063 136.075653076172 6655.1328125 0.82
8064 138.59294128418 3106.81518554688 0.38
8065 140.033798217773 4807.77783203125 0.59
8066 140.070190429688 5408.396484375 0.67
8067 142.049545288086 3321.40600585938 0.41
8068 147.306976318359 3170.48095703125 0.39
8069 149.023406982422 131090.984375 16.18
8070 150.058334350586 539588 66.59
8071 153.8173828125 2858.638671875 0.35
8072 167.081314086914 15029.8408203125 1.85
8073 168.065551757812 121723.78125 15.02
8074 170.062957763672 31012.787109375 3.83
8075 185.091812133789 4823.31982421875 0.6
8076 186.126800537109 3235.509765625 0.4
8077 216.06852722168 75573.1875 9.33
8078 262.074645996094 45437.76171875 5.61
8079 279.099304199219 7316.77685546875 0.9
8080
8081 RECORD_TITLE: MZ:280.0488 | RT:70.5 | grpid:315 | file:1
8082 MS$FOCUSED_ION: PRECURSOR_M/Z 280.048767089844
8083 AC$CHROMATOGRAPHY: RETENTION_TIME 70.461672
8084 XCMS groupid (grpid): 315
8085 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
8086 PK$NUM_PEAK: 39
8087 PK$PEAK: m/z int. rel.int.
8088 116.985786437988 33421.9296875 31
8089 120.081001281738 11129.6591796875 10.32
8090 123.669364929199 2818.08227539062 2.61
8091 124.297996520996 2718.25439453125 2.52
8092 134.996856689453 30773.3515625 28.54
8093 135.777297973633 2776.31372070312 2.58
8094 140.002090454102 4177.95703125 3.88
8095 149.023239135742 11645.5498046875 10.8
8096 150.026840209961 13410.5322265625 12.44
8097 153.0068359375 5393.45361328125 5
8098 158.012222290039 11300.4365234375 10.48
8099 165.993804931641 5124.900390625 4.75
8100 169.017227172852 4493.04736328125 4.17
8101 183.03303527832 6156.767578125 5.71
8102 183.074356079102 4537.5751953125 4.21
8103 184.004486083984 34825.13671875 32.3
8104 187.02799987793 13832.9482421875 12.83
8105 192.031799316406 21062.65234375 19.54
8106 194.048919677734 15237.623046875 14.13
8107 199.027694702148 2852.01000976562 2.65
8108 201.043640136719 6691.6064453125 6.21
8109 202.015228271484 6205.7841796875 5.76
8110 206.01252746582 5024.869140625 4.66
8111 207.019683837891 5718.814453125 5.3
8112 210.043426513672 21038.609375 19.51
8113 212.058792114258 23444.162109375 21.74
8114 216.12255859375 3983.77563476562 3.7
8115 224.022918701172 27374.416015625 25.39
8116 226.31071472168 2903.41137695312 2.69
8117 232.589385986328 3353.01708984375 3.11
8118 235.027587890625 11870.7802734375 11.01
8119 235.075180053711 4295.79638671875 3.98
8120 238.038330078125 64149.9453125 59.5
8121 242.033279418945 13365.6953125 12.4
8122 256.048919677734 107814.1484375 100
8123 257.906707763672 2842.23803710938 2.64
8124 261.055084228516 24014.6796875 22.27
8125 279.065277099609 18450.875 17.11
8126 280.126678466797 4697.37060546875 4.36
8127
8128 RECORD_TITLE: MZ:280.0488 | RT:70.5 | grpid:315 | file:1
8129 MS$FOCUSED_ION: PRECURSOR_M/Z 280.048767089844
8130 AC$CHROMATOGRAPHY: RETENTION_TIME 70.461672
8131 XCMS groupid (grpid): 315
8132 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
8133 PK$NUM_PEAK: 39
8134 PK$PEAK: m/z int. rel.int.
8135 116.985786437988 33421.9296875 31
8136 120.081001281738 11129.6591796875 10.32
8137 123.669364929199 2818.08227539062 2.61
8138 124.297996520996 2718.25439453125 2.52
8139 134.996856689453 30773.3515625 28.54
8140 135.777297973633 2776.31372070312 2.58
8141 140.002090454102 4177.95703125 3.88
8142 149.023239135742 11645.5498046875 10.8
8143 150.026840209961 13410.5322265625 12.44
8144 153.0068359375 5393.45361328125 5
8145 158.012222290039 11300.4365234375 10.48
8146 165.993804931641 5124.900390625 4.75
8147 169.017227172852 4493.04736328125 4.17
8148 183.03303527832 6156.767578125 5.71
8149 183.074356079102 4537.5751953125 4.21
8150 184.004486083984 34825.13671875 32.3
8151 187.02799987793 13832.9482421875 12.83
8152 192.031799316406 21062.65234375 19.54
8153 194.048919677734 15237.623046875 14.13
8154 199.027694702148 2852.01000976562 2.65
8155 201.043640136719 6691.6064453125 6.21
8156 202.015228271484 6205.7841796875 5.76
8157 206.01252746582 5024.869140625 4.66
8158 207.019683837891 5718.814453125 5.3
8159 210.043426513672 21038.609375 19.51
8160 212.058792114258 23444.162109375 21.74
8161 216.12255859375 3983.77563476562 3.7
8162 224.022918701172 27374.416015625 25.39
8163 226.31071472168 2903.41137695312 2.69
8164 232.589385986328 3353.01708984375 3.11
8165 235.027587890625 11870.7802734375 11.01
8166 235.075180053711 4295.79638671875 3.98
8167 238.038330078125 64149.9453125 59.5
8168 242.033279418945 13365.6953125 12.4
8169 256.048919677734 107814.1484375 100
8170 257.906707763672 2842.23803710938 2.64
8171 261.055084228516 24014.6796875 22.27
8172 279.065277099609 18450.875 17.11
8173 280.126678466797 4697.37060546875 4.36
8174
8175 RECORD_TITLE: MZ:280.0488 | RT:70.6 | grpid:315 | file:2
8176 MS$FOCUSED_ION: PRECURSOR_M/Z 280.048767089844
8177 AC$CHROMATOGRAPHY: RETENTION_TIME 70.627524
8178 XCMS groupid (grpid): 315
8179 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
8180 PK$NUM_PEAK: 55
8181 PK$PEAK: m/z int. rel.int.
8182 116.986145019531 90175.0546875 39.39
8183 122.500762939453 2979.67431640625 1.3
8184 126.041282653809 2491.48876953125 1.09
8185 134.996520996094 69683.921875 30.44
8186 135.49528503418 2877.74267578125 1.26
8187 136.076446533203 2825.89599609375 1.23
8188 140.002105712891 17324.423828125 7.57
8189 149.023315429688 6188.7568359375 2.7
8190 150.026840209961 14024.232421875 6.13
8191 153.00715637207 5269.6083984375 2.3
8192 158.012557983398 26838.8359375 11.72
8193 165.993453979492 21357.70703125 9.33
8194 169.017684936523 22446.642578125 9.8
8195 176.023086547852 3675.767578125 1.61
8196 181.017181396484 10685.3251953125 4.67
8197 183.033020019531 17021.66015625 7.43
8198 183.073638916016 4145.4111328125 1.81
8199 184.004364013672 93690.78125 40.92
8200 187.028121948242 27162.12109375 11.86
8201 189.010116577148 3022.36352539062 1.32
8202 192.032958984375 60132.24609375 26.26
8203 194.048858642578 45500.17578125 19.87
8204 196.004333496094 4326.826171875 1.89
8205 197.012634277344 5415.9453125 2.37
8206 199.027328491211 3211.62231445312 1.4
8207 201.04377746582 27710.078125 12.1
8208 202.015289306641 23209.02734375 10.14
8209 206.01237487793 16058.1005859375 7.01
8210 207.020263671875 28911.111328125 12.63
8211 208.028656005859 6188.95556640625 2.7
8212 209.879653930664 2802.0390625 1.22
8213 210.043792724609 56488.05859375 24.67
8214 212.058700561523 40054.265625 17.49
8215 214.049499511719 3524.46118164062 1.54
8216 220.028350830078 27485.8828125 12.01
8217 224.023071289062 51054.2734375 22.3
8218 225.031646728516 4745.40576171875 2.07
8219 233.060745239258 14478.4443359375 6.32
8220 235.028106689453 23754.62109375 10.38
8221 235.074905395508 17054.966796875 7.45
8222 238.038360595703 160082.4375 69.92
8223 242.033233642578 39547.27734375 17.27
8224 247.039764404297 10463.0517578125 4.57
8225 252.053573608398 3761.64624023438 1.64
8226 253.038848876953 11243.70703125 4.91
8227 256.048950195312 228947.234375 100
8228 258.058746337891 2875.9072265625 1.26
8229 260.416839599609 3550.6279296875 1.55
8230 261.054290771484 76607.53125 33.46
8231 274.060211181641 10396.4326171875 4.54
8232 279.064910888672 59201.4765625 25.86
8233 279.905609130859 3107.13793945312 1.36
8234 280.049163818359 13564.6298828125 5.92
8235 280.126281738281 3274.9765625 1.43
8236 302.081359863281 12904.4560546875 5.64
8237
8238 RECORD_TITLE: MZ:280.0488 | RT:70.6 | grpid:315 | file:2
8239 MS$FOCUSED_ION: PRECURSOR_M/Z 280.048767089844
8240 AC$CHROMATOGRAPHY: RETENTION_TIME 70.627524
8241 XCMS groupid (grpid): 315
8242 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
8243 PK$NUM_PEAK: 55
8244 PK$PEAK: m/z int. rel.int.
8245 116.986145019531 90175.0546875 39.39
8246 122.500762939453 2979.67431640625 1.3
8247 126.041282653809 2491.48876953125 1.09
8248 134.996520996094 69683.921875 30.44
8249 135.49528503418 2877.74267578125 1.26
8250 136.076446533203 2825.89599609375 1.23
8251 140.002105712891 17324.423828125 7.57
8252 149.023315429688 6188.7568359375 2.7
8253 150.026840209961 14024.232421875 6.13
8254 153.00715637207 5269.6083984375 2.3
8255 158.012557983398 26838.8359375 11.72
8256 165.993453979492 21357.70703125 9.33
8257 169.017684936523 22446.642578125 9.8
8258 176.023086547852 3675.767578125 1.61
8259 181.017181396484 10685.3251953125 4.67
8260 183.033020019531 17021.66015625 7.43
8261 183.073638916016 4145.4111328125 1.81
8262 184.004364013672 93690.78125 40.92
8263 187.028121948242 27162.12109375 11.86
8264 189.010116577148 3022.36352539062 1.32
8265 192.032958984375 60132.24609375 26.26
8266 194.048858642578 45500.17578125 19.87
8267 196.004333496094 4326.826171875 1.89
8268 197.012634277344 5415.9453125 2.37
8269 199.027328491211 3211.62231445312 1.4
8270 201.04377746582 27710.078125 12.1
8271 202.015289306641 23209.02734375 10.14
8272 206.01237487793 16058.1005859375 7.01
8273 207.020263671875 28911.111328125 12.63
8274 208.028656005859 6188.95556640625 2.7
8275 209.879653930664 2802.0390625 1.22
8276 210.043792724609 56488.05859375 24.67
8277 212.058700561523 40054.265625 17.49
8278 214.049499511719 3524.46118164062 1.54
8279 220.028350830078 27485.8828125 12.01
8280 224.023071289062 51054.2734375 22.3
8281 225.031646728516 4745.40576171875 2.07
8282 233.060745239258 14478.4443359375 6.32
8283 235.028106689453 23754.62109375 10.38
8284 235.074905395508 17054.966796875 7.45
8285 238.038360595703 160082.4375 69.92
8286 242.033233642578 39547.27734375 17.27
8287 247.039764404297 10463.0517578125 4.57
8288 252.053573608398 3761.64624023438 1.64
8289 253.038848876953 11243.70703125 4.91
8290 256.048950195312 228947.234375 100
8291 258.058746337891 2875.9072265625 1.26
8292 260.416839599609 3550.6279296875 1.55
8293 261.054290771484 76607.53125 33.46
8294 274.060211181641 10396.4326171875 4.54
8295 279.064910888672 59201.4765625 25.86
8296 279.905609130859 3107.13793945312 1.36
8297 280.049163818359 13564.6298828125 5.92
8298 280.126281738281 3274.9765625 1.43
8299 302.081359863281 12904.4560546875 5.64
8300
8301 RECORD_TITLE: MZ:281.1524 | RT:75 | grpid:320 | file:1
8302 MS$FOCUSED_ION: PRECURSOR_M/Z 281.152435302734
8303 AC$CHROMATOGRAPHY: RETENTION_TIME 75.040038
8304 XCMS groupid (grpid): 320
8305 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
8306 PK$NUM_PEAK: 8
8307 PK$PEAK: m/z int. rel.int.
8308 101.264610290527 2750.7802734375 0.33
8309 103.05460357666 25212.22265625 3.05
8310 120.081024169922 825684.1875 100
8311 134.044647216797 5622.82958984375 0.68
8312 143.130569458008 2861.20629882812 0.35
8313 157.364059448242 2556.23803710938 0.31
8314 196.631576538086 2650.54321289062 0.32
8315 239.329803466797 2676.6943359375 0.32
8316
8317 RECORD_TITLE: MZ:281.1524 | RT:75 | grpid:320 | file:1
8318 MS$FOCUSED_ION: PRECURSOR_M/Z 281.152435302734
8319 AC$CHROMATOGRAPHY: RETENTION_TIME 75.040038
8320 XCMS groupid (grpid): 320
8321 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
8322 PK$NUM_PEAK: 8
8323 PK$PEAK: m/z int. rel.int.
8324 101.264610290527 2750.7802734375 0.33
8325 103.05460357666 25212.22265625 3.05
8326 120.081024169922 825684.1875 100
8327 134.044647216797 5622.82958984375 0.68
8328 143.130569458008 2861.20629882812 0.35
8329 157.364059448242 2556.23803710938 0.31
8330 196.631576538086 2650.54321289062 0.32
8331 239.329803466797 2676.6943359375 0.32
8332
8333 RECORD_TITLE: MZ:281.1525 | RT:75.2 | grpid:320 | file:2
8334 MS$FOCUSED_ION: PRECURSOR_M/Z 281.152526855469
8335 AC$CHROMATOGRAPHY: RETENTION_TIME 75.21942
8336 XCMS groupid (grpid): 320
8337 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
8338 PK$NUM_PEAK: 10
8339 PK$PEAK: m/z int. rel.int.
8340 103.054763793945 34028.828125 3.95
8341 119.951507568359 2629.16333007812 0.31
8342 120.081024169922 861520.9375 100
8343 134.045181274414 4133.95068359375 0.48
8344 150.797470092773 2805.65991210938 0.33
8345 153.656585693359 2774.79541015625 0.32
8346 153.720336914062 3543.21435546875 0.41
8347 189.584426879883 3025.72802734375 0.35
8348 221.813919067383 2534.84301757812 0.29
8349 267.996520996094 2868.07666015625 0.33
8350
8351 RECORD_TITLE: MZ:281.1525 | RT:75.2 | grpid:320 | file:2
8352 MS$FOCUSED_ION: PRECURSOR_M/Z 281.152526855469
8353 AC$CHROMATOGRAPHY: RETENTION_TIME 75.21942
8354 XCMS groupid (grpid): 320
8355 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
8356 PK$NUM_PEAK: 10
8357 PK$PEAK: m/z int. rel.int.
8358 103.054763793945 34028.828125 3.95
8359 119.951507568359 2629.16333007812 0.31
8360 120.081024169922 861520.9375 100
8361 134.045181274414 4133.95068359375 0.48
8362 150.797470092773 2805.65991210938 0.33
8363 153.656585693359 2774.79541015625 0.32
8364 153.720336914062 3543.21435546875 0.41
8365 189.584426879883 3025.72802734375 0.35
8366 221.813919067383 2534.84301757812 0.29
8367 267.996520996094 2868.07666015625 0.33
8368
8369 RECORD_TITLE: MZ:285.0824 | RT:83.4 | grpid:329 | file:1
8370 MS$FOCUSED_ION: PRECURSOR_M/Z 285.082427978516
8371 AC$CHROMATOGRAPHY: RETENTION_TIME 83.441172
8372 XCMS groupid (grpid): 329
8373 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
8374 PK$NUM_PEAK: 14
8375 PK$PEAK: m/z int. rel.int.
8376 103.039367675781 34832.5 1.31
8377 110.035171508789 114180.3125 4.3
8378 110.071548461914 6402.4853515625 0.24
8379 115.039337158203 143172.0625 5.39
8380 115.047416687012 6747.39404296875 0.25
8381 116.07063293457 4897.9365234375 0.18
8382 128.045608520508 31904.515625 1.2
8383 133.0107421875 3597.33544921875 0.14
8384 133.049575805664 164647.703125 6.2
8385 136.014129638672 190198.140625 7.16
8386 142.105499267578 4813.17431640625 0.18
8387 153.040679931641 2656807.5 100
8388 154.024673461914 285199.78125 10.73
8389 154.037857055664 4174.63427734375 0.16
8390
8391 RECORD_TITLE: MZ:285.0824 | RT:83.4 | grpid:329 | file:1
8392 MS$FOCUSED_ION: PRECURSOR_M/Z 285.082427978516
8393 AC$CHROMATOGRAPHY: RETENTION_TIME 83.441172
8394 XCMS groupid (grpid): 329
8395 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
8396 PK$NUM_PEAK: 14
8397 PK$PEAK: m/z int. rel.int.
8398 103.039367675781 34832.5 1.31
8399 110.035171508789 114180.3125 4.3
8400 110.071548461914 6402.4853515625 0.24
8401 115.039337158203 143172.0625 5.39
8402 115.047416687012 6747.39404296875 0.25
8403 116.07063293457 4897.9365234375 0.18
8404 128.045608520508 31904.515625 1.2
8405 133.0107421875 3597.33544921875 0.14
8406 133.049575805664 164647.703125 6.2
8407 136.014129638672 190198.140625 7.16
8408 142.105499267578 4813.17431640625 0.18
8409 153.040679931641 2656807.5 100
8410 154.024673461914 285199.78125 10.73
8411 154.037857055664 4174.63427734375 0.16
8412
8413 RECORD_TITLE: MZ:285.0825 | RT:83.6 | grpid:329 | file:2
8414 MS$FOCUSED_ION: PRECURSOR_M/Z 285.082458496094
8415 AC$CHROMATOGRAPHY: RETENTION_TIME 83.64567
8416 XCMS groupid (grpid): 329
8417 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
8418 PK$NUM_PEAK: 11
8419 PK$PEAK: m/z int. rel.int.
8420 103.039260864258 28734.193359375 1.33
8421 110.035217285156 91303.421875 4.22
8422 110.071723937988 13147.5751953125 0.61
8423 115.039222717285 115791.296875 5.35
8424 128.045837402344 25904.94140625 1.2
8425 133.049606323242 146196.078125 6.76
8426 136.014099121094 173105.734375 8
8427 141.1025390625 4594.5947265625 0.21
8428 153.040664672852 2162515.5 100
8429 154.024627685547 236670.3125 10.94
8430 154.037643432617 3128.84204101562 0.14
8431
8432 RECORD_TITLE: MZ:285.0825 | RT:83.6 | grpid:329 | file:2
8433 MS$FOCUSED_ION: PRECURSOR_M/Z 285.082458496094
8434 AC$CHROMATOGRAPHY: RETENTION_TIME 83.64567
8435 XCMS groupid (grpid): 329
8436 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
8437 PK$NUM_PEAK: 11
8438 PK$PEAK: m/z int. rel.int.
8439 103.039260864258 28734.193359375 1.33
8440 110.035217285156 91303.421875 4.22
8441 110.071723937988 13147.5751953125 0.61
8442 115.039222717285 115791.296875 5.35
8443 128.045837402344 25904.94140625 1.2
8444 133.049606323242 146196.078125 6.76
8445 136.014099121094 173105.734375 8
8446 141.1025390625 4594.5947265625 0.21
8447 153.040664672852 2162515.5 100
8448 154.024627685547 236670.3125 10.94
8449 154.037643432617 3128.84204101562 0.14
8450
8451 RECORD_TITLE: MZ:285.0825 | RT:83.6 | grpid:329 | file:2
8452 MS$FOCUSED_ION: PRECURSOR_M/Z 285.08251953125
8453 AC$CHROMATOGRAPHY: RETENTION_TIME 83.64567
8454 XCMS groupid (grpid): 329
8455 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
8456 PK$NUM_PEAK: 14
8457 PK$PEAK: m/z int. rel.int.
8458 102.877166748047 11391.2080078125 0.29
8459 103.039733886719 70818.046875 1.77
8460 108.379875183105 10036.453125 0.25
8461 110.035354614258 195952.484375 4.91
8462 115.039245605469 235067.4375 5.89
8463 128.045989990234 15684.4697265625 0.39
8464 133.049682617188 278702.75 6.98
8465 136.014266967773 390351.4375 9.78
8466 153.040725708008 3993260.75 100
8467 154.024703979492 390008.625 9.77
8468 169.74462890625 11478.4873046875 0.29
8469 276.099914550781 12241.7314453125 0.31
8470 283.922821044922 10031.16015625 0.25
8471 301.9716796875 10684.52734375 0.27
8472
8473 RECORD_TITLE: MZ:285.0825 | RT:83.6 | grpid:329 | file:2
8474 MS$FOCUSED_ION: PRECURSOR_M/Z 285.08251953125
8475 AC$CHROMATOGRAPHY: RETENTION_TIME 83.64567
8476 XCMS groupid (grpid): 329
8477 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
8478 PK$NUM_PEAK: 14
8479 PK$PEAK: m/z int. rel.int.
8480 102.877166748047 11391.2080078125 0.29
8481 103.039733886719 70818.046875 1.77
8482 108.379875183105 10036.453125 0.25
8483 110.035354614258 195952.484375 4.91
8484 115.039245605469 235067.4375 5.89
8485 128.045989990234 15684.4697265625 0.39
8486 133.049682617188 278702.75 6.98
8487 136.014266967773 390351.4375 9.78
8488 153.040725708008 3993260.75 100
8489 154.024703979492 390008.625 9.77
8490 169.74462890625 11478.4873046875 0.29
8491 276.099914550781 12241.7314453125 0.31
8492 283.922821044922 10031.16015625 0.25
8493 301.9716796875 10684.52734375 0.27
8494
8495 RECORD_TITLE: MZ:287.0512 | RT:43.2 | grpid:332 | file:1
8496 MS$FOCUSED_ION: PRECURSOR_M/Z 287.051239013672
8497 AC$CHROMATOGRAPHY: RETENTION_TIME 43.1829192
8498 XCMS groupid (grpid): 332
8499 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
8500 PK$NUM_PEAK: 12
8501 PK$PEAK: m/z int. rel.int.
8502 111.116577148438 2635.97485351562 3.74
8503 113.805793762207 2529.7333984375 3.59
8504 127.086990356445 3527.62426757812 5
8505 160.03483581543 3110.06176757812 4.41
8506 176.903930664062 2737.58935546875 3.88
8507 194.251007080078 2985.20288085938 4.23
8508 200.040542602539 2946.06127929688 4.18
8509 214.034713745117 5480.310546875 7.77
8510 230.111846923828 3778.5263671875 5.36
8511 269.040222167969 2981.3544921875 4.23
8512 287.050201416016 70541.3828125 100
8513 304.021636962891 2973.06982421875 4.21
8514
8515 RECORD_TITLE: MZ:287.0512 | RT:43.2 | grpid:332 | file:1
8516 MS$FOCUSED_ION: PRECURSOR_M/Z 287.051239013672
8517 AC$CHROMATOGRAPHY: RETENTION_TIME 43.1829192
8518 XCMS groupid (grpid): 332
8519 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
8520 PK$NUM_PEAK: 12
8521 PK$PEAK: m/z int. rel.int.
8522 111.116577148438 2635.97485351562 3.74
8523 113.805793762207 2529.7333984375 3.59
8524 127.086990356445 3527.62426757812 5
8525 160.03483581543 3110.06176757812 4.41
8526 176.903930664062 2737.58935546875 3.88
8527 194.251007080078 2985.20288085938 4.23
8528 200.040542602539 2946.06127929688 4.18
8529 214.034713745117 5480.310546875 7.77
8530 230.111846923828 3778.5263671875 5.36
8531 269.040222167969 2981.3544921875 4.23
8532 287.050201416016 70541.3828125 100
8533 304.021636962891 2973.06982421875 4.21
8534
8535 RECORD_TITLE: MZ:292.1975 | RT:44.8 | grpid:346 | file:2
8536 MS$FOCUSED_ION: PRECURSOR_M/Z 292.197509765625
8537 AC$CHROMATOGRAPHY: RETENTION_TIME 44.7995376
8538 XCMS groupid (grpid): 346
8539 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
8540 PK$NUM_PEAK: 17
8541 PK$PEAK: m/z int. rel.int.
8542 112.08748626709 146886.8125 0.82
8543 112.094039916992 21488.705078125 0.12
8544 113.071746826172 19570.8203125 0.11
8545 114.102615356445 20782.029296875 0.12
8546 115.087265014648 22572.4765625 0.13
8547 116.070877075195 1167010.625 6.51
8548 118.086471557617 17936758 100
8549 130.088272094727 18935.30078125 0.11
8550 130.097534179688 535976.9375 2.99
8551 157.108123779297 159862.4375 0.89
8552 158.092407226562 499801.9375 2.79
8553 173.093551635742 16882.005859375 0.09
8554 175.118896484375 6728599.5 37.51
8555 248.061279296875 26782.0078125 0.15
8556 287.312866210938 15858.4033203125 0.09
8557 303.088562011719 14864.9921875 0.08
8558 309.474395751953 14699.423828125 0.08
8559
8560 RECORD_TITLE: MZ:292.1975 | RT:44.8 | grpid:346 | file:2
8561 MS$FOCUSED_ION: PRECURSOR_M/Z 292.197509765625
8562 AC$CHROMATOGRAPHY: RETENTION_TIME 44.7995376
8563 XCMS groupid (grpid): 346
8564 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
8565 PK$NUM_PEAK: 17
8566 PK$PEAK: m/z int. rel.int.
8567 112.08748626709 146886.8125 0.82
8568 112.094039916992 21488.705078125 0.12
8569 113.071746826172 19570.8203125 0.11
8570 114.102615356445 20782.029296875 0.12
8571 115.087265014648 22572.4765625 0.13
8572 116.070877075195 1167010.625 6.51
8573 118.086471557617 17936758 100
8574 130.088272094727 18935.30078125 0.11
8575 130.097534179688 535976.9375 2.99
8576 157.108123779297 159862.4375 0.89
8577 158.092407226562 499801.9375 2.79
8578 173.093551635742 16882.005859375 0.09
8579 175.118896484375 6728599.5 37.51
8580 248.061279296875 26782.0078125 0.15
8581 287.312866210938 15858.4033203125 0.09
8582 303.088562011719 14864.9921875 0.08
8583 309.474395751953 14699.423828125 0.08
8584
8585 RECORD_TITLE: MZ:294.1542 | RT:92.7 | grpid:350 | file:1
8586 MS$FOCUSED_ION: PRECURSOR_M/Z 294.154174804688
8587 AC$CHROMATOGRAPHY: RETENTION_TIME 92.725812
8588 XCMS groupid (grpid): 350
8589 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
8590 PK$NUM_PEAK: 34
8591 PK$PEAK: m/z int. rel.int.
8592 100.039588928223 12116.9365234375 2.56
8593 100.112373352051 6914.2412109375 1.46
8594 110.096420288086 3424.94165039062 0.72
8595 110.853393554688 3369.05786132812 0.71
8596 112.039672851562 32027.3125 6.77
8597 116.107368469238 41405.6015625 8.75
8598 127.03923034668 60730.89453125 12.83
8599 128.107162475586 40561.765625 8.57
8600 132.092514038086 5388.255859375 1.14
8601 132.102005004883 103454.9296875 21.86
8602 138.055130004883 7344.48583984375 1.55
8603 140.10693359375 11811.27734375 2.5
8604 143.057556152344 38482.171875 8.13
8605 144.065277099609 4361.083984375 0.92
8606 144.101852416992 68717.4140625 14.52
8607 145.049713134766 5195.7734375 1.1
8608 152.107177734375 3686.92651367188 0.78
8609 156.06575012207 4761.87841796875 1.01
8610 161.068206787109 44467.93359375 9.4
8611 164.107070922852 20499.1796875 4.33
8612 168.101623535156 15432.5830078125 3.26
8613 170.117691040039 17919.076171875 3.79
8614 174.113311767578 5293.681640625 1.12
8615 182.11735534668 6294.22216796875 1.33
8616 194.117630004883 5075.8837890625 1.07
8617 196.058380126953 3165.51000976562 0.67
8618 210.112579345703 24667.384765625 5.21
8619 212.128082275391 115336.734375 24.38
8620 230.138565063477 473169.375 100
8621 240.122009277344 3350.65454101562 0.71
8622 248.149124145508 63486.26171875 13.42
8623 258.133422851562 269774.625 57.01
8624 276.144012451172 289220.21875 61.12
8625 283.004730224609 3476.09790039062 0.73
8626
8627 RECORD_TITLE: MZ:294.1542 | RT:92.7 | grpid:350 | file:1
8628 MS$FOCUSED_ION: PRECURSOR_M/Z 294.154174804688
8629 AC$CHROMATOGRAPHY: RETENTION_TIME 92.725812
8630 XCMS groupid (grpid): 350
8631 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
8632 PK$NUM_PEAK: 34
8633 PK$PEAK: m/z int. rel.int.
8634 100.039588928223 12116.9365234375 2.56
8635 100.112373352051 6914.2412109375 1.46
8636 110.096420288086 3424.94165039062 0.72
8637 110.853393554688 3369.05786132812 0.71
8638 112.039672851562 32027.3125 6.77
8639 116.107368469238 41405.6015625 8.75
8640 127.03923034668 60730.89453125 12.83
8641 128.107162475586 40561.765625 8.57
8642 132.092514038086 5388.255859375 1.14
8643 132.102005004883 103454.9296875 21.86
8644 138.055130004883 7344.48583984375 1.55
8645 140.10693359375 11811.27734375 2.5
8646 143.057556152344 38482.171875 8.13
8647 144.065277099609 4361.083984375 0.92
8648 144.101852416992 68717.4140625 14.52
8649 145.049713134766 5195.7734375 1.1
8650 152.107177734375 3686.92651367188 0.78
8651 156.06575012207 4761.87841796875 1.01
8652 161.068206787109 44467.93359375 9.4
8653 164.107070922852 20499.1796875 4.33
8654 168.101623535156 15432.5830078125 3.26
8655 170.117691040039 17919.076171875 3.79
8656 174.113311767578 5293.681640625 1.12
8657 182.11735534668 6294.22216796875 1.33
8658 194.117630004883 5075.8837890625 1.07
8659 196.058380126953 3165.51000976562 0.67
8660 210.112579345703 24667.384765625 5.21
8661 212.128082275391 115336.734375 24.38
8662 230.138565063477 473169.375 100
8663 240.122009277344 3350.65454101562 0.71
8664 248.149124145508 63486.26171875 13.42
8665 258.133422851562 269774.625 57.01
8666 276.144012451172 289220.21875 61.12
8667 283.004730224609 3476.09790039062 0.73
8668
8669 RECORD_TITLE: MZ:294.1543 | RT:92.7 | grpid:350 | file:1
8670 MS$FOCUSED_ION: PRECURSOR_M/Z 294.154296875
8671 AC$CHROMATOGRAPHY: RETENTION_TIME 92.725812
8672 XCMS groupid (grpid): 350
8673 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
8674 PK$NUM_PEAK: 49
8675 PK$PEAK: m/z int. rel.int.
8676 100.039855957031 11945.4833984375 2.27
8677 100.11254119873 3537.12866210938 0.67
8678 101.024070739746 3956.35595703125 0.75
8679 103.039573669434 2966.87817382812 0.56
8680 109.028465270996 5073.76904296875 0.96
8681 110.060562133789 12437.3388671875 2.36
8682 110.097053527832 4487.48828125 0.85
8683 111.044372558594 17267.955078125 3.28
8684 111.381683349609 3390.00854492188 0.64
8685 112.039657592773 63292.5859375 12.01
8686 112.559852600098 3083.8427734375 0.59
8687 114.055534362793 7010.8505859375 1.33
8688 125.04761505127 3223.23876953125 0.61
8689 126.055030822754 7347.9443359375 1.39
8690 126.091453552246 4696.2109375 0.89
8691 127.039024353027 94030.3828125 17.84
8692 127.134880065918 3145.29052734375 0.6
8693 128.107070922852 68264.796875 12.95
8694 132.101989746094 179045.65625 33.98
8695 138.054534912109 13677.5537109375 2.6
8696 140.106857299805 13554.361328125 2.57
8697 143.057662963867 73734.296875 13.99
8698 144.102035522461 66228.953125 12.57
8699 145.049575805664 21716.580078125 4.12
8700 152.107208251953 5472.5517578125 1.04
8701 156.065551757812 18423.76953125 3.5
8702 158.119232177734 3554.89721679688 0.67
8703 161.068344116211 90903.25 17.25
8704 164.106948852539 18641.60546875 3.54
8705 166.049179077148 4754.61181640625 0.9
8706 166.122314453125 7161.84716796875 1.36
8707 168.101852416992 19549.287109375 3.71
8708 169.073394775391 4109.31298828125 0.78
8709 170.117279052734 17377.267578125 3.3
8710 174.112106323242 3960.05908203125 0.75
8711 182.117858886719 6982.83203125 1.33
8712 184.059997558594 6152.68310546875 1.17
8713 194.117279052734 18366.19921875 3.49
8714 202.070388793945 6409.5205078125 1.22
8715 210.112426757812 56363.68359375 10.7
8716 212.127944946289 157259.921875 29.84
8717 217.009780883789 3030.94580078125 0.58
8718 220.081756591797 25174.337890625 4.78
8719 221.114456176758 3178.37231445312 0.6
8720 230.138610839844 526945.9375 100
8721 248.148956298828 50961.2109375 9.67
8722 258.133422851562 429868.0625 81.58
8723 263.925018310547 2871.33056640625 0.54
8724 276.143981933594 370881.4375 70.38
8725
8726 RECORD_TITLE: MZ:294.1543 | RT:92.7 | grpid:350 | file:1
8727 MS$FOCUSED_ION: PRECURSOR_M/Z 294.154296875
8728 AC$CHROMATOGRAPHY: RETENTION_TIME 92.725812
8729 XCMS groupid (grpid): 350
8730 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
8731 PK$NUM_PEAK: 49
8732 PK$PEAK: m/z int. rel.int.
8733 100.039855957031 11945.4833984375 2.27
8734 100.11254119873 3537.12866210938 0.67
8735 101.024070739746 3956.35595703125 0.75
8736 103.039573669434 2966.87817382812 0.56
8737 109.028465270996 5073.76904296875 0.96
8738 110.060562133789 12437.3388671875 2.36
8739 110.097053527832 4487.48828125 0.85
8740 111.044372558594 17267.955078125 3.28
8741 111.381683349609 3390.00854492188 0.64
8742 112.039657592773 63292.5859375 12.01
8743 112.559852600098 3083.8427734375 0.59
8744 114.055534362793 7010.8505859375 1.33
8745 125.04761505127 3223.23876953125 0.61
8746 126.055030822754 7347.9443359375 1.39
8747 126.091453552246 4696.2109375 0.89
8748 127.039024353027 94030.3828125 17.84
8749 127.134880065918 3145.29052734375 0.6
8750 128.107070922852 68264.796875 12.95
8751 132.101989746094 179045.65625 33.98
8752 138.054534912109 13677.5537109375 2.6
8753 140.106857299805 13554.361328125 2.57
8754 143.057662963867 73734.296875 13.99
8755 144.102035522461 66228.953125 12.57
8756 145.049575805664 21716.580078125 4.12
8757 152.107208251953 5472.5517578125 1.04
8758 156.065551757812 18423.76953125 3.5
8759 158.119232177734 3554.89721679688 0.67
8760 161.068344116211 90903.25 17.25
8761 164.106948852539 18641.60546875 3.54
8762 166.049179077148 4754.61181640625 0.9
8763 166.122314453125 7161.84716796875 1.36
8764 168.101852416992 19549.287109375 3.71
8765 169.073394775391 4109.31298828125 0.78
8766 170.117279052734 17377.267578125 3.3
8767 174.112106323242 3960.05908203125 0.75
8768 182.117858886719 6982.83203125 1.33
8769 184.059997558594 6152.68310546875 1.17
8770 194.117279052734 18366.19921875 3.49
8771 202.070388793945 6409.5205078125 1.22
8772 210.112426757812 56363.68359375 10.7
8773 212.127944946289 157259.921875 29.84
8774 217.009780883789 3030.94580078125 0.58
8775 220.081756591797 25174.337890625 4.78
8776 221.114456176758 3178.37231445312 0.6
8777 230.138610839844 526945.9375 100
8778 248.148956298828 50961.2109375 9.67
8779 258.133422851562 429868.0625 81.58
8780 263.925018310547 2871.33056640625 0.54
8781 276.143981933594 370881.4375 70.38
8782
8783 RECORD_TITLE: MZ:294.1543 | RT:92.7 | grpid:350 | file:1
8784 MS$FOCUSED_ION: PRECURSOR_M/Z 294.154266357422
8785 AC$CHROMATOGRAPHY: RETENTION_TIME 92.725812
8786 XCMS groupid (grpid): 350
8787 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
8788 PK$NUM_PEAK: 17
8789 PK$PEAK: m/z int. rel.int.
8790 112.03931427002 4738.89697265625 8.46
8791 127.039451599121 6637.46044921875 11.85
8792 128.106857299805 4131.669921875 7.38
8793 132.102157592773 16244.3935546875 29
8794 143.057373046875 4329.37890625 7.73
8795 144.101577758789 4709.18310546875 8.41
8796 156.065139770508 3411.55810546875 6.09
8797 161.068740844727 3975.96484375 7.1
8798 195.074645996094 6018.2216796875 10.74
8799 210.112716674805 4323.24609375 7.72
8800 212.128311157227 14840.1083984375 26.49
8801 230.138580322266 55673.28515625 99.39
8802 248.148101806641 5323.71923828125 9.5
8803 258.134094238281 56012.828125 100
8804 276.144348144531 39232.16796875 70.04
8805 294.142822265625 3321.01489257812 5.93
8806 301.394378662109 2792.884765625 4.99
8807
8808 RECORD_TITLE: MZ:294.1543 | RT:92.7 | grpid:350 | file:1
8809 MS$FOCUSED_ION: PRECURSOR_M/Z 294.154266357422
8810 AC$CHROMATOGRAPHY: RETENTION_TIME 92.725812
8811 XCMS groupid (grpid): 350
8812 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
8813 PK$NUM_PEAK: 17
8814 PK$PEAK: m/z int. rel.int.
8815 112.03931427002 4738.89697265625 8.46
8816 127.039451599121 6637.46044921875 11.85
8817 128.106857299805 4131.669921875 7.38
8818 132.102157592773 16244.3935546875 29
8819 143.057373046875 4329.37890625 7.73
8820 144.101577758789 4709.18310546875 8.41
8821 156.065139770508 3411.55810546875 6.09
8822 161.068740844727 3975.96484375 7.1
8823 195.074645996094 6018.2216796875 10.74
8824 210.112716674805 4323.24609375 7.72
8825 212.128311157227 14840.1083984375 26.49
8826 230.138580322266 55673.28515625 99.39
8827 248.148101806641 5323.71923828125 9.5
8828 258.134094238281 56012.828125 100
8829 276.144348144531 39232.16796875 70.04
8830 294.142822265625 3321.01489257812 5.93
8831 301.394378662109 2792.884765625 4.99
8832
8833 RECORD_TITLE: MZ:294.1443 | RT:127 | grpid:350 | file:1
8834 MS$FOCUSED_ION: PRECURSOR_M/Z 294.144256591797
8835 AC$CHROMATOGRAPHY: RETENTION_TIME 126.956946
8836 XCMS groupid (grpid): 350
8837 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
8838 PK$NUM_PEAK: 17
8839 PK$PEAK: m/z int. rel.int.
8840 101.071441650391 34816.140625 3.33
8841 102.055137634277 4712.90234375 0.45
8842 103.054664611816 28540.345703125 2.73
8843 105.877639770508 3483.6708984375 0.33
8844 118.829322814941 2945.64819335938 0.28
8845 120.081039428711 1047091.5625 100
8846 130.050003051758 433653.25 41.42
8847 131.049209594727 25237.34765625 2.41
8848 132.102310180664 2949.71630859375 0.28
8849 147.076416015625 379692.59375 36.26
8850 165.101943969727 35044.9296875 3.35
8851 186.090667724609 3819.80444335938 0.36
8852 209.704132080078 2813.90551757812 0.27
8853 242.080108642578 3713.76049804688 0.35
8854 260.091583251953 6231.1533203125 0.6
8855 277.118194580078 13311.5361328125 1.27
8856 294.144134521484 15787.435546875 1.51
8857
8858 RECORD_TITLE: MZ:294.1443 | RT:127 | grpid:350 | file:1
8859 MS$FOCUSED_ION: PRECURSOR_M/Z 294.144256591797
8860 AC$CHROMATOGRAPHY: RETENTION_TIME 126.956946
8861 XCMS groupid (grpid): 350
8862 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
8863 PK$NUM_PEAK: 17
8864 PK$PEAK: m/z int. rel.int.
8865 101.071441650391 34816.140625 3.33
8866 102.055137634277 4712.90234375 0.45
8867 103.054664611816 28540.345703125 2.73
8868 105.877639770508 3483.6708984375 0.33
8869 118.829322814941 2945.64819335938 0.28
8870 120.081039428711 1047091.5625 100
8871 130.050003051758 433653.25 41.42
8872 131.049209594727 25237.34765625 2.41
8873 132.102310180664 2949.71630859375 0.28
8874 147.076416015625 379692.59375 36.26
8875 165.101943969727 35044.9296875 3.35
8876 186.090667724609 3819.80444335938 0.36
8877 209.704132080078 2813.90551757812 0.27
8878 242.080108642578 3713.76049804688 0.35
8879 260.091583251953 6231.1533203125 0.6
8880 277.118194580078 13311.5361328125 1.27
8881 294.144134521484 15787.435546875 1.51
8882
8883 RECORD_TITLE: MZ:294.1542 | RT:92.9 | grpid:350 | file:2
8884 MS$FOCUSED_ION: PRECURSOR_M/Z 294.154235839844
8885 AC$CHROMATOGRAPHY: RETENTION_TIME 92.927058
8886 XCMS groupid (grpid): 350
8887 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
8888 PK$NUM_PEAK: 34
8889 PK$PEAK: m/z int. rel.int.
8890 100.039581298828 6100.62353515625 1.43
8891 100.112480163574 6374.77783203125 1.5
8892 103.039588928223 3076.25048828125 0.72
8893 109.442352294922 3162.3955078125 0.74
8894 110.096412658691 5111.01220703125 1.2
8895 112.039413452148 31784.515625 7.46
8896 115.986106872559 2768.38891601562 0.65
8897 116.107551574707 32657.869140625 7.67
8898 124.038887023926 3240.6171875 0.76
8899 127.039138793945 61893.71484375 14.53
8900 128.107269287109 42391.6171875 9.95
8901 132.102035522461 104086 24.44
8902 138.054885864258 5146.638671875 1.21
8903 140.106323242188 5272.39208984375 1.24
8904 142.452301025391 2796.87426757812 0.66
8905 143.057632446289 31923.705078125 7.5
8906 144.066101074219 4150.6162109375 0.97
8907 144.101867675781 65890.5859375 15.47
8908 145.049545288086 5817.22314453125 1.37
8909 161.068267822266 47137.53125 11.07
8910 164.106918334961 18073.5703125 4.24
8911 168.101837158203 6165.30078125 1.45
8912 170.117248535156 7225.15380859375 1.7
8913 182.117706298828 5637.47509765625 1.32
8914 194.117568969727 5011.36083984375 1.18
8915 202.351867675781 2861.6162109375 0.67
8916 210.11311340332 30784.28515625 7.23
8917 210.129669189453 3687.68139648438 0.87
8918 212.128311157227 111181.453125 26.11
8919 230.138687133789 425898.21875 100
8920 235.040023803711 3332.52368164062 0.78
8921 248.149322509766 52210.234375 12.26
8922 258.133483886719 255259.734375 59.93
8923 276.143981933594 275148.625 64.6
8924
8925 RECORD_TITLE: MZ:294.1542 | RT:92.9 | grpid:350 | file:2
8926 MS$FOCUSED_ION: PRECURSOR_M/Z 294.154235839844
8927 AC$CHROMATOGRAPHY: RETENTION_TIME 92.927058
8928 XCMS groupid (grpid): 350
8929 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
8930 PK$NUM_PEAK: 34
8931 PK$PEAK: m/z int. rel.int.
8932 100.039581298828 6100.62353515625 1.43
8933 100.112480163574 6374.77783203125 1.5
8934 103.039588928223 3076.25048828125 0.72
8935 109.442352294922 3162.3955078125 0.74
8936 110.096412658691 5111.01220703125 1.2
8937 112.039413452148 31784.515625 7.46
8938 115.986106872559 2768.38891601562 0.65
8939 116.107551574707 32657.869140625 7.67
8940 124.038887023926 3240.6171875 0.76
8941 127.039138793945 61893.71484375 14.53
8942 128.107269287109 42391.6171875 9.95
8943 132.102035522461 104086 24.44
8944 138.054885864258 5146.638671875 1.21
8945 140.106323242188 5272.39208984375 1.24
8946 142.452301025391 2796.87426757812 0.66
8947 143.057632446289 31923.705078125 7.5
8948 144.066101074219 4150.6162109375 0.97
8949 144.101867675781 65890.5859375 15.47
8950 145.049545288086 5817.22314453125 1.37
8951 161.068267822266 47137.53125 11.07
8952 164.106918334961 18073.5703125 4.24
8953 168.101837158203 6165.30078125 1.45
8954 170.117248535156 7225.15380859375 1.7
8955 182.117706298828 5637.47509765625 1.32
8956 194.117568969727 5011.36083984375 1.18
8957 202.351867675781 2861.6162109375 0.67
8958 210.11311340332 30784.28515625 7.23
8959 210.129669189453 3687.68139648438 0.87
8960 212.128311157227 111181.453125 26.11
8961 230.138687133789 425898.21875 100
8962 235.040023803711 3332.52368164062 0.78
8963 248.149322509766 52210.234375 12.26
8964 258.133483886719 255259.734375 59.93
8965 276.143981933594 275148.625 64.6
8966
8967 RECORD_TITLE: MZ:294.1543 | RT:92.9 | grpid:350 | file:2
8968 MS$FOCUSED_ION: PRECURSOR_M/Z 294.154266357422
8969 AC$CHROMATOGRAPHY: RETENTION_TIME 92.927058
8970 XCMS groupid (grpid): 350
8971 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
8972 PK$NUM_PEAK: 46
8973 PK$PEAK: m/z int. rel.int.
8974 100.039398193359 6943.6611328125 1.37
8975 100.112838745117 3517.724609375 0.69
8976 108.044715881348 5075.48486328125 1
8977 109.028762817383 3518.97973632812 0.69
8978 110.060173034668 5335.84228515625 1.05
8979 111.044456481934 7202.50927734375 1.42
8980 112.039627075195 69982.8828125 13.77
8981 114.054962158203 7522.70703125 1.48
8982 115.038757324219 3757.9150390625 0.74
8983 116.107208251953 5378.05078125 1.06
8984 118.049652099609 3018.99682617188 0.59
8985 122.060455322266 4224.17333984375 0.83
8986 125.048110961914 3349.43823242188 0.66
8987 126.054931640625 6800.45947265625 1.34
8988 126.091926574707 2745.97192382812 0.54
8989 127.039161682129 68500.3046875 13.48
8990 128.107284545898 68840.234375 13.55
8991 132.101989746094 188093.140625 37.02
8992 138.054840087891 17720.330078125 3.49
8993 138.091400146484 3979.52783203125 0.78
8994 140.107070922852 13942.1748046875 2.74
8995 143.057708740234 73909.4765625 14.55
8996 144.101989746094 65417.16796875 12.88
8997 145.049468994141 14035.1279296875 2.76
8998 152.106552124023 6772.66015625 1.33
8999 156.065856933594 23545.328125 4.63
9000 161.068115234375 80188.5546875 15.78
9001 163.074829101562 3530.64184570312 0.69
9002 164.107452392578 33111.4296875 6.52
9003 166.049087524414 5023.00244140625 0.99
9004 166.122802734375 5457.59716796875 1.07
9005 168.102172851562 22264.28515625 4.38
9006 170.117309570312 23073.28125 4.54
9007 174.076141357422 5431.16455078125 1.07
9008 174.112564086914 5989.57080078125 1.18
9009 182.117980957031 15173.0595703125 2.99
9010 184.060440063477 6674.87646484375 1.31
9011 194.117584228516 16448.00390625 3.24
9012 202.071670532227 4120.669921875 0.81
9013 210.112442016602 43590.50390625 8.58
9014 212.128082275391 145393.953125 28.62
9015 220.082168579102 22131.724609375 4.36
9016 230.138656616211 508058.0625 100
9017 248.149200439453 51917.765625 10.22
9018 258.133483886719 443114.375 87.22
9019 276.143981933594 392024.59375 77.16
9020
9021 RECORD_TITLE: MZ:294.1543 | RT:92.9 | grpid:350 | file:2
9022 MS$FOCUSED_ION: PRECURSOR_M/Z 294.154266357422
9023 AC$CHROMATOGRAPHY: RETENTION_TIME 92.927058
9024 XCMS groupid (grpid): 350
9025 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
9026 PK$NUM_PEAK: 46
9027 PK$PEAK: m/z int. rel.int.
9028 100.039398193359 6943.6611328125 1.37
9029 100.112838745117 3517.724609375 0.69
9030 108.044715881348 5075.48486328125 1
9031 109.028762817383 3518.97973632812 0.69
9032 110.060173034668 5335.84228515625 1.05
9033 111.044456481934 7202.50927734375 1.42
9034 112.039627075195 69982.8828125 13.77
9035 114.054962158203 7522.70703125 1.48
9036 115.038757324219 3757.9150390625 0.74
9037 116.107208251953 5378.05078125 1.06
9038 118.049652099609 3018.99682617188 0.59
9039 122.060455322266 4224.17333984375 0.83
9040 125.048110961914 3349.43823242188 0.66
9041 126.054931640625 6800.45947265625 1.34
9042 126.091926574707 2745.97192382812 0.54
9043 127.039161682129 68500.3046875 13.48
9044 128.107284545898 68840.234375 13.55
9045 132.101989746094 188093.140625 37.02
9046 138.054840087891 17720.330078125 3.49
9047 138.091400146484 3979.52783203125 0.78
9048 140.107070922852 13942.1748046875 2.74
9049 143.057708740234 73909.4765625 14.55
9050 144.101989746094 65417.16796875 12.88
9051 145.049468994141 14035.1279296875 2.76
9052 152.106552124023 6772.66015625 1.33
9053 156.065856933594 23545.328125 4.63
9054 161.068115234375 80188.5546875 15.78
9055 163.074829101562 3530.64184570312 0.69
9056 164.107452392578 33111.4296875 6.52
9057 166.049087524414 5023.00244140625 0.99
9058 166.122802734375 5457.59716796875 1.07
9059 168.102172851562 22264.28515625 4.38
9060 170.117309570312 23073.28125 4.54
9061 174.076141357422 5431.16455078125 1.07
9062 174.112564086914 5989.57080078125 1.18
9063 182.117980957031 15173.0595703125 2.99
9064 184.060440063477 6674.87646484375 1.31
9065 194.117584228516 16448.00390625 3.24
9066 202.071670532227 4120.669921875 0.81
9067 210.112442016602 43590.50390625 8.58
9068 212.128082275391 145393.953125 28.62
9069 220.082168579102 22131.724609375 4.36
9070 230.138656616211 508058.0625 100
9071 248.149200439453 51917.765625 10.22
9072 258.133483886719 443114.375 87.22
9073 276.143981933594 392024.59375 77.16
9074
9075 RECORD_TITLE: MZ:294.1543 | RT:92.9 | grpid:350 | file:2
9076 MS$FOCUSED_ION: PRECURSOR_M/Z 294.154327392578
9077 AC$CHROMATOGRAPHY: RETENTION_TIME 92.927058
9078 XCMS groupid (grpid): 350
9079 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
9080 PK$NUM_PEAK: 20
9081 PK$PEAK: m/z int. rel.int.
9082 112.039344787598 5124.46142578125 7.47
9083 122.517807006836 3088.34252929688 4.5
9084 127.0390625 6232.49560546875 9.08
9085 128.106292724609 3349.68432617188 4.88
9086 132.102005004883 17221.03125 25.09
9087 133.426742553711 2583.19848632812 3.76
9088 144.101837158203 4300.341796875 6.26
9089 156.06510925293 2784.90234375 4.06
9090 161.068069458008 11421.27734375 16.64
9091 165.475692749023 2766.2021484375 4.03
9092 195.074188232422 4445.84375 6.48
9093 210.114395141602 3170.66162109375 4.62
9094 212.128158569336 17339.98828125 25.26
9095 230.138610839844 68642.265625 100
9096 248.149459838867 5197.986328125 7.57
9097 258.133483886719 52082.61328125 75.88
9098 268.423004150391 3287.80078125 4.79
9099 276.143981933594 43785.77734375 63.79
9100 294.142303466797 5570.93115234375 8.12
9101 308.502807617188 3742.28930664062 5.45
9102
9103 RECORD_TITLE: MZ:294.1543 | RT:92.9 | grpid:350 | file:2
9104 MS$FOCUSED_ION: PRECURSOR_M/Z 294.154327392578
9105 AC$CHROMATOGRAPHY: RETENTION_TIME 92.927058
9106 XCMS groupid (grpid): 350
9107 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
9108 PK$NUM_PEAK: 20
9109 PK$PEAK: m/z int. rel.int.
9110 112.039344787598 5124.46142578125 7.47
9111 122.517807006836 3088.34252929688 4.5
9112 127.0390625 6232.49560546875 9.08
9113 128.106292724609 3349.68432617188 4.88
9114 132.102005004883 17221.03125 25.09
9115 133.426742553711 2583.19848632812 3.76
9116 144.101837158203 4300.341796875 6.26
9117 156.06510925293 2784.90234375 4.06
9118 161.068069458008 11421.27734375 16.64
9119 165.475692749023 2766.2021484375 4.03
9120 195.074188232422 4445.84375 6.48
9121 210.114395141602 3170.66162109375 4.62
9122 212.128158569336 17339.98828125 25.26
9123 230.138610839844 68642.265625 100
9124 248.149459838867 5197.986328125 7.57
9125 258.133483886719 52082.61328125 75.88
9126 268.423004150391 3287.80078125 4.79
9127 276.143981933594 43785.77734375 63.79
9128 294.142303466797 5570.93115234375 8.12
9129 308.502807617188 3742.28930664062 5.45
9130
9131 RECORD_TITLE: MZ:294.1442 | RT:127.2 | grpid:350 | file:2
9132 MS$FOCUSED_ION: PRECURSOR_M/Z 294.144195556641
9133 AC$CHROMATOGRAPHY: RETENTION_TIME 127.214454
9134 XCMS groupid (grpid): 350
9135 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
9136 PK$NUM_PEAK: 16
9137 PK$PEAK: m/z int. rel.int.
9138 101.071395874023 30196.458984375 3.01
9139 103.05460357666 36452.20703125 3.64
9140 115.028816223145 2923.4765625 0.29
9141 120.081039428711 1002720.9375 100
9142 130.050003051758 433036.09375 43.19
9143 131.048980712891 21612.560546875 2.16
9144 147.076400756836 370422.4375 36.94
9145 148.075744628906 3277.36889648438 0.33
9146 165.102447509766 32359.7734375 3.23
9147 236.737213134766 3216.35913085938 0.32
9148 239.283920288086 3512.80200195312 0.35
9149 242.080612182617 4410.763671875 0.44
9150 259.107482910156 2916.66284179688 0.29
9151 260.092193603516 4195.158203125 0.42
9152 277.117889404297 16811.05078125 1.68
9153 294.143859863281 18521.876953125 1.85
9154
9155 RECORD_TITLE: MZ:294.1442 | RT:127.2 | grpid:350 | file:2
9156 MS$FOCUSED_ION: PRECURSOR_M/Z 294.144195556641
9157 AC$CHROMATOGRAPHY: RETENTION_TIME 127.214454
9158 XCMS groupid (grpid): 350
9159 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
9160 PK$NUM_PEAK: 16
9161 PK$PEAK: m/z int. rel.int.
9162 101.071395874023 30196.458984375 3.01
9163 103.05460357666 36452.20703125 3.64
9164 115.028816223145 2923.4765625 0.29
9165 120.081039428711 1002720.9375 100
9166 130.050003051758 433036.09375 43.19
9167 131.048980712891 21612.560546875 2.16
9168 147.076400756836 370422.4375 36.94
9169 148.075744628906 3277.36889648438 0.33
9170 165.102447509766 32359.7734375 3.23
9171 236.737213134766 3216.35913085938 0.32
9172 239.283920288086 3512.80200195312 0.35
9173 242.080612182617 4410.763671875 0.44
9174 259.107482910156 2916.66284179688 0.29
9175 260.092193603516 4195.158203125 0.42
9176 277.117889404297 16811.05078125 1.68
9177 294.143859863281 18521.876953125 1.85
9178
9179 RECORD_TITLE: MZ:295.1284 | RT:76.5 | grpid:353 | file:1
9180 MS$FOCUSED_ION: PRECURSOR_M/Z 295.128387451172
9181 AC$CHROMATOGRAPHY: RETENTION_TIME 76.520544
9182 XCMS groupid (grpid): 353
9183 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
9184 PK$NUM_PEAK: 14
9185 PK$PEAK: m/z int. rel.int.
9186 102.055305480957 141662.953125 1.78
9187 103.047660827637 9096.5048828125 0.11
9188 103.054672241211 264597.71875 3.33
9189 120.08097076416 7940314 100
9190 130.049926757812 186572.046875 2.35
9191 131.049392700195 38053.90234375 0.48
9192 138.368667602539 5218.921875 0.07
9193 148.060348510742 534400.8125 6.73
9194 186.091201782227 6964.56787109375 0.09
9195 249.122787475586 20288.796875 0.26
9196 260.092071533203 5487.70556640625 0.07
9197 277.120513916016 6250.375 0.08
9198 288.727630615234 5923.0712890625 0.07
9199 295.12841796875 60264.61328125 0.76
9200
9201 RECORD_TITLE: MZ:295.1284 | RT:76.5 | grpid:353 | file:1
9202 MS$FOCUSED_ION: PRECURSOR_M/Z 295.128387451172
9203 AC$CHROMATOGRAPHY: RETENTION_TIME 76.520544
9204 XCMS groupid (grpid): 353
9205 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
9206 PK$NUM_PEAK: 14
9207 PK$PEAK: m/z int. rel.int.
9208 102.055305480957 141662.953125 1.78
9209 103.047660827637 9096.5048828125 0.11
9210 103.054672241211 264597.71875 3.33
9211 120.08097076416 7940314 100
9212 130.049926757812 186572.046875 2.35
9213 131.049392700195 38053.90234375 0.48
9214 138.368667602539 5218.921875 0.07
9215 148.060348510742 534400.8125 6.73
9216 186.091201782227 6964.56787109375 0.09
9217 249.122787475586 20288.796875 0.26
9218 260.092071533203 5487.70556640625 0.07
9219 277.120513916016 6250.375 0.08
9220 288.727630615234 5923.0712890625 0.07
9221 295.12841796875 60264.61328125 0.76
9222
9223 RECORD_TITLE: MZ:295.1283 | RT:76.7 | grpid:353 | file:2
9224 MS$FOCUSED_ION: PRECURSOR_M/Z 295.128326416016
9225 AC$CHROMATOGRAPHY: RETENTION_TIME 76.72203
9226 XCMS groupid (grpid): 353
9227 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
9228 PK$NUM_PEAK: 12
9229 PK$PEAK: m/z int. rel.int.
9230 102.055358886719 142350.5625 1.73
9231 103.047714233398 7654.904296875 0.09
9232 103.054664611816 271591.96875 3.3
9233 120.080993652344 8218329 100
9234 130.049957275391 210526.734375 2.56
9235 131.049209594727 34446.6640625 0.42
9236 148.060363769531 533971.5625 6.5
9237 148.891082763672 5547.021484375 0.07
9238 177.852951049805 5688.75244140625 0.07
9239 249.123413085938 14290.17578125 0.17
9240 256.870849609375 6559.6240234375 0.08
9241 295.129028320312 57312.61328125 0.7
9242
9243 RECORD_TITLE: MZ:295.1283 | RT:76.7 | grpid:353 | file:2
9244 MS$FOCUSED_ION: PRECURSOR_M/Z 295.128326416016
9245 AC$CHROMATOGRAPHY: RETENTION_TIME 76.72203
9246 XCMS groupid (grpid): 353
9247 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
9248 PK$NUM_PEAK: 12
9249 PK$PEAK: m/z int. rel.int.
9250 102.055358886719 142350.5625 1.73
9251 103.047714233398 7654.904296875 0.09
9252 103.054664611816 271591.96875 3.3
9253 120.080993652344 8218329 100
9254 130.049957275391 210526.734375 2.56
9255 131.049209594727 34446.6640625 0.42
9256 148.060363769531 533971.5625 6.5
9257 148.891082763672 5547.021484375 0.07
9258 177.852951049805 5688.75244140625 0.07
9259 249.123413085938 14290.17578125 0.17
9260 256.870849609375 6559.6240234375 0.08
9261 295.129028320312 57312.61328125 0.7
9262
9263 RECORD_TITLE: MZ:296.0658 | RT:42.4 | grpid:354 | file:1
9264 MS$FOCUSED_ION: PRECURSOR_M/Z 296.065826416016
9265 AC$CHROMATOGRAPHY: RETENTION_TIME 42.4292958
9266 XCMS groupid (grpid): 354
9267 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
9268 PK$NUM_PEAK: 28
9269 PK$PEAK: m/z int. rel.int.
9270 104.107414245605 113404.828125 96.9
9271 115.257781982422 2642.28344726562 2.26
9272 118.906105041504 2871.60009765625 2.45
9273 120.003547668457 6084.94970703125 5.2
9274 123.053253173828 3333.92529296875 2.85
9275 124.03678894043 3061.91870117188 2.62
9276 130.049224853516 2935.35913085938 2.51
9277 134.018844604492 117029.3671875 100
9278 151.047866821289 28315.765625 24.2
9279 151.084808349609 5592.81689453125 4.78
9280 152.031631469727 37479.58203125 32.03
9281 164.930252075195 31731.31640625 27.11
9282 169.058502197266 35980.2578125 30.74
9283 169.094802856445 6438.44775390625 5.5
9284 169.885345458984 2605.5 2.23
9285 170.042297363281 3210.34887695312 2.74
9286 178.946014404297 3806.83520507812 3.25
9287 180.001739501953 3170.61328125 2.71
9288 180.903701782227 14680.2548828125 12.54
9289 191.078903198242 3137.82885742188 2.68
9290 229.981872558594 2980.67016601562 2.55
9291 238.989120483398 22953.4921875 19.61
9292 253.079711914062 4649.15576171875 3.97
9293 263.061492919922 3608.7255859375 3.08
9294 280.090270996094 10559.1611328125 9.02
9295 281.073272705078 3693.57568359375 3.16
9296 298.067657470703 6471.38916015625 5.53
9297 298.096527099609 23370.763671875 19.97
9298
9299 RECORD_TITLE: MZ:296.0658 | RT:42.4 | grpid:354 | file:1
9300 MS$FOCUSED_ION: PRECURSOR_M/Z 296.065826416016
9301 AC$CHROMATOGRAPHY: RETENTION_TIME 42.4292958
9302 XCMS groupid (grpid): 354
9303 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
9304 PK$NUM_PEAK: 28
9305 PK$PEAK: m/z int. rel.int.
9306 104.107414245605 113404.828125 96.9
9307 115.257781982422 2642.28344726562 2.26
9308 118.906105041504 2871.60009765625 2.45
9309 120.003547668457 6084.94970703125 5.2
9310 123.053253173828 3333.92529296875 2.85
9311 124.03678894043 3061.91870117188 2.62
9312 130.049224853516 2935.35913085938 2.51
9313 134.018844604492 117029.3671875 100
9314 151.047866821289 28315.765625 24.2
9315 151.084808349609 5592.81689453125 4.78
9316 152.031631469727 37479.58203125 32.03
9317 164.930252075195 31731.31640625 27.11
9318 169.058502197266 35980.2578125 30.74
9319 169.094802856445 6438.44775390625 5.5
9320 169.885345458984 2605.5 2.23
9321 170.042297363281 3210.34887695312 2.74
9322 178.946014404297 3806.83520507812 3.25
9323 180.001739501953 3170.61328125 2.71
9324 180.903701782227 14680.2548828125 12.54
9325 191.078903198242 3137.82885742188 2.68
9326 229.981872558594 2980.67016601562 2.55
9327 238.989120483398 22953.4921875 19.61
9328 253.079711914062 4649.15576171875 3.97
9329 263.061492919922 3608.7255859375 3.08
9330 280.090270996094 10559.1611328125 9.02
9331 281.073272705078 3693.57568359375 3.16
9332 298.067657470703 6471.38916015625 5.53
9333 298.096527099609 23370.763671875 19.97
9334
9335 RECORD_TITLE: MZ:296.0656 | RT:42.4 | grpid:354 | file:1
9336 MS$FOCUSED_ION: PRECURSOR_M/Z 296.065551757812
9337 AC$CHROMATOGRAPHY: RETENTION_TIME 42.4292958
9338 XCMS groupid (grpid): 354
9339 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
9340 PK$NUM_PEAK: 17
9341 PK$PEAK: m/z int. rel.int.
9342 104.107582092285 12656.6298828125 16.59
9343 110.071670532227 76296.015625 100
9344 128.03190612793 11512.23828125 15.09
9345 133.762710571289 3047.94458007812 3.99
9346 136.075790405273 21574.76171875 28.28
9347 136.085235595703 3742.28735351562 4.9
9348 137.079330444336 24230.166015625 31.76
9349 156.077331542969 11290.4443359375 14.8
9350 170.32341003418 2779.20581054688 3.64
9351 177.031875610352 2798.62231445312 3.67
9352 181.108383178711 12241.56640625 16.04
9353 196.959823608398 2773.84155273438 3.64
9354 209.103637695312 5807.6396484375 7.61
9355 211.106033325195 3517.22680664062 4.61
9356 274.146240234375 3613.0380859375 4.74
9357 280.127960205078 4497.24267578125 5.89
9358 298.135314941406 24276.166015625 31.82
9359
9360 RECORD_TITLE: MZ:296.0656 | RT:42.4 | grpid:354 | file:1
9361 MS$FOCUSED_ION: PRECURSOR_M/Z 296.065551757812
9362 AC$CHROMATOGRAPHY: RETENTION_TIME 42.4292958
9363 XCMS groupid (grpid): 354
9364 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
9365 PK$NUM_PEAK: 17
9366 PK$PEAK: m/z int. rel.int.
9367 104.107582092285 12656.6298828125 16.59
9368 110.071670532227 76296.015625 100
9369 128.03190612793 11512.23828125 15.09
9370 133.762710571289 3047.94458007812 3.99
9371 136.075790405273 21574.76171875 28.28
9372 136.085235595703 3742.28735351562 4.9
9373 137.079330444336 24230.166015625 31.76
9374 156.077331542969 11290.4443359375 14.8
9375 170.32341003418 2779.20581054688 3.64
9376 177.031875610352 2798.62231445312 3.67
9377 181.108383178711 12241.56640625 16.04
9378 196.959823608398 2773.84155273438 3.64
9379 209.103637695312 5807.6396484375 7.61
9380 211.106033325195 3517.22680664062 4.61
9381 274.146240234375 3613.0380859375 4.74
9382 280.127960205078 4497.24267578125 5.89
9383 298.135314941406 24276.166015625 31.82
9384
9385 RECORD_TITLE: MZ:296.0658 | RT:43.3 | grpid:354 | file:2
9386 MS$FOCUSED_ION: PRECURSOR_M/Z 296.065826416016
9387 AC$CHROMATOGRAPHY: RETENTION_TIME 43.3414116
9388 XCMS groupid (grpid): 354
9389 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
9390 PK$NUM_PEAK: 25
9391 PK$PEAK: m/z int. rel.int.
9392 102.501098632812 2634.53149414062 2.76
9393 104.107406616211 78233.4765625 82
9394 104.779418945312 2619.09838867188 2.75
9395 120.003631591797 12038.4755859375 12.62
9396 123.053741455078 3649.71142578125 3.83
9397 124.959274291992 3187.64526367188 3.34
9398 134.018905639648 95404.9453125 100
9399 151.04768371582 45033.75 47.2
9400 151.083587646484 11767.1416015625 12.33
9401 152.031875610352 34158.91796875 35.8
9402 164.930053710938 26157.40234375 27.42
9403 168.170883178711 2864.22802734375 3
9404 169.058334350586 41951.765625 43.97
9405 169.094284057617 5771.51220703125 6.05
9406 180.001739501953 3173.91796875 3.33
9407 180.904067993164 15171.927734375 15.9
9408 233.934051513672 3479.39086914062 3.65
9409 235.103302001953 3239.46142578125 3.4
9410 238.991271972656 14557.9658203125 15.26
9411 253.078491210938 6074.93798828125 6.37
9412 280.08935546875 5121.08447265625 5.37
9413 281.074127197266 13575.4345703125 14.23
9414 298.067443847656 8395.75 8.8
9415 298.100677490234 33910.890625 35.54
9416 298.133453369141 5547.06982421875 5.81
9417
9418 RECORD_TITLE: MZ:296.0658 | RT:43.3 | grpid:354 | file:2
9419 MS$FOCUSED_ION: PRECURSOR_M/Z 296.065826416016
9420 AC$CHROMATOGRAPHY: RETENTION_TIME 43.3414116
9421 XCMS groupid (grpid): 354
9422 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
9423 PK$NUM_PEAK: 25
9424 PK$PEAK: m/z int. rel.int.
9425 102.501098632812 2634.53149414062 2.76
9426 104.107406616211 78233.4765625 82
9427 104.779418945312 2619.09838867188 2.75
9428 120.003631591797 12038.4755859375 12.62
9429 123.053741455078 3649.71142578125 3.83
9430 124.959274291992 3187.64526367188 3.34
9431 134.018905639648 95404.9453125 100
9432 151.04768371582 45033.75 47.2
9433 151.083587646484 11767.1416015625 12.33
9434 152.031875610352 34158.91796875 35.8
9435 164.930053710938 26157.40234375 27.42
9436 168.170883178711 2864.22802734375 3
9437 169.058334350586 41951.765625 43.97
9438 169.094284057617 5771.51220703125 6.05
9439 180.001739501953 3173.91796875 3.33
9440 180.904067993164 15171.927734375 15.9
9441 233.934051513672 3479.39086914062 3.65
9442 235.103302001953 3239.46142578125 3.4
9443 238.991271972656 14557.9658203125 15.26
9444 253.078491210938 6074.93798828125 6.37
9445 280.08935546875 5121.08447265625 5.37
9446 281.074127197266 13575.4345703125 14.23
9447 298.067443847656 8395.75 8.8
9448 298.100677490234 33910.890625 35.54
9449 298.133453369141 5547.06982421875 5.81
9450
9451 RECORD_TITLE: MZ:296.0656 | RT:43.3 | grpid:354 | file:2
9452 MS$FOCUSED_ION: PRECURSOR_M/Z 296.065582275391
9453 AC$CHROMATOGRAPHY: RETENTION_TIME 43.3414116
9454 XCMS groupid (grpid): 354
9455 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
9456 PK$NUM_PEAK: 12
9457 PK$PEAK: m/z int. rel.int.
9458 103.752471923828 3372.3203125 1.13
9459 104.107315063477 3889.2138671875 1.31
9460 105.110206604004 4535.83447265625 1.52
9461 110.07152557373 26736.4453125 8.97
9462 116.04727935791 24896.80078125 8.35
9463 119.049240112305 42550.78515625 14.28
9464 121.065811157227 4205.6630859375 1.41
9465 136.075759887695 298005.65625 100
9466 160.036758422852 33066.51953125 11.1
9467 197.080413818359 3280.55688476562 1.1
9468 229.070083618164 5290.5830078125 1.78
9469 297.119445800781 5748.119140625 1.93
9470
9471 RECORD_TITLE: MZ:296.0656 | RT:43.3 | grpid:354 | file:2
9472 MS$FOCUSED_ION: PRECURSOR_M/Z 296.065582275391
9473 AC$CHROMATOGRAPHY: RETENTION_TIME 43.3414116
9474 XCMS groupid (grpid): 354
9475 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
9476 PK$NUM_PEAK: 12
9477 PK$PEAK: m/z int. rel.int.
9478 103.752471923828 3372.3203125 1.13
9479 104.107315063477 3889.2138671875 1.31
9480 105.110206604004 4535.83447265625 1.52
9481 110.07152557373 26736.4453125 8.97
9482 116.04727935791 24896.80078125 8.35
9483 119.049240112305 42550.78515625 14.28
9484 121.065811157227 4205.6630859375 1.41
9485 136.075759887695 298005.65625 100
9486 160.036758422852 33066.51953125 11.1
9487 197.080413818359 3280.55688476562 1.1
9488 229.070083618164 5290.5830078125 1.78
9489 297.119445800781 5748.119140625 1.93
9490
9491 RECORD_TITLE: MZ:302.1707 | RT:88.9 | grpid:369 | file:1
9492 MS$FOCUSED_ION: PRECURSOR_M/Z 302.170684814453
9493 AC$CHROMATOGRAPHY: RETENTION_TIME 88.866054
9494 XCMS groupid (grpid): 369
9495 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
9496 PK$NUM_PEAK: 12
9497 PK$PEAK: m/z int. rel.int.
9498 111.092300415039 3345.74462890625 0.99
9499 114.091567993164 2964.439453125 0.88
9500 116.070907592773 338258.5 100
9501 159.112579345703 52160.83984375 15.42
9502 161.510787963867 2920.07788085938 0.86
9503 167.082427978516 3902.92211914062 1.15
9504 171.076644897461 5985.89404296875 1.77
9505 185.092422485352 12815.69921875 3.79
9506 187.107772827148 19796.359375 5.85
9507 203.102493286133 107000.6796875 31.63
9508 213.087478637695 12012.677734375 3.55
9509 269.900512695312 3120.37036132812 0.92
9510
9511 RECORD_TITLE: MZ:302.1707 | RT:88.9 | grpid:369 | file:1
9512 MS$FOCUSED_ION: PRECURSOR_M/Z 302.170684814453
9513 AC$CHROMATOGRAPHY: RETENTION_TIME 88.866054
9514 XCMS groupid (grpid): 369
9515 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
9516 PK$NUM_PEAK: 12
9517 PK$PEAK: m/z int. rel.int.
9518 111.092300415039 3345.74462890625 0.99
9519 114.091567993164 2964.439453125 0.88
9520 116.070907592773 338258.5 100
9521 159.112579345703 52160.83984375 15.42
9522 161.510787963867 2920.07788085938 0.86
9523 167.082427978516 3902.92211914062 1.15
9524 171.076644897461 5985.89404296875 1.77
9525 185.092422485352 12815.69921875 3.79
9526 187.107772827148 19796.359375 5.85
9527 203.102493286133 107000.6796875 31.63
9528 213.087478637695 12012.677734375 3.55
9529 269.900512695312 3120.37036132812 0.92
9530
9531 RECORD_TITLE: MZ:302.1707 | RT:88.9 | grpid:369 | file:1
9532 MS$FOCUSED_ION: PRECURSOR_M/Z 302.170715332031
9533 AC$CHROMATOGRAPHY: RETENTION_TIME 88.866054
9534 XCMS groupid (grpid): 369
9535 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
9536 PK$NUM_PEAK: 15
9537 PK$PEAK: m/z int. rel.int.
9538 111.091789245605 4032.9169921875 1.2
9539 116.070877075195 335223.84375 100
9540 144.715606689453 2890.23486328125 0.86
9541 146.728607177734 3216.869140625 0.96
9542 157.096328735352 2906.3671875 0.87
9543 159.112747192383 53204.73046875 15.87
9544 167.081085205078 4721.88037109375 1.41
9545 185.092727661133 6107.53857421875 1.82
9546 185.409088134766 2896.890625 0.86
9547 187.107727050781 18806.53515625 5.61
9548 188.189697265625 3081.72094726562 0.92
9549 189.086227416992 25625.54296875 7.64
9550 203.102386474609 84135.125 25.1
9551 213.08723449707 7243.43408203125 2.16
9552 284.158935546875 3037.86303710938 0.91
9553
9554 RECORD_TITLE: MZ:302.1707 | RT:88.9 | grpid:369 | file:1
9555 MS$FOCUSED_ION: PRECURSOR_M/Z 302.170715332031
9556 AC$CHROMATOGRAPHY: RETENTION_TIME 88.866054
9557 XCMS groupid (grpid): 369
9558 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
9559 PK$NUM_PEAK: 15
9560 PK$PEAK: m/z int. rel.int.
9561 111.091789245605 4032.9169921875 1.2
9562 116.070877075195 335223.84375 100
9563 144.715606689453 2890.23486328125 0.86
9564 146.728607177734 3216.869140625 0.96
9565 157.096328735352 2906.3671875 0.87
9566 159.112747192383 53204.73046875 15.87
9567 167.081085205078 4721.88037109375 1.41
9568 185.092727661133 6107.53857421875 1.82
9569 185.409088134766 2896.890625 0.86
9570 187.107727050781 18806.53515625 5.61
9571 188.189697265625 3081.72094726562 0.92
9572 189.086227416992 25625.54296875 7.64
9573 203.102386474609 84135.125 25.1
9574 213.08723449707 7243.43408203125 2.16
9575 284.158935546875 3037.86303710938 0.91
9576
9577 RECORD_TITLE: MZ:302.1706 | RT:89.1 | grpid:369 | file:2
9578 MS$FOCUSED_ION: PRECURSOR_M/Z 302.170593261719
9579 AC$CHROMATOGRAPHY: RETENTION_TIME 89.058666
9580 XCMS groupid (grpid): 369
9581 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
9582 PK$NUM_PEAK: 11
9583 PK$PEAK: m/z int. rel.int.
9584 111.537490844727 2589.2255859375 0.65
9585 116.070930480957 399363.4375 100
9586 120.955596923828 2879.787109375 0.72
9587 128.070510864258 3172.29931640625 0.79
9588 159.112930297852 57991.0546875 14.52
9589 167.08186340332 4477.3642578125 1.12
9590 171.076034545898 2725.41967773438 0.68
9591 185.092102050781 5634.4248046875 1.41
9592 187.108093261719 27319.478515625 6.84
9593 203.102722167969 98053.7265625 24.55
9594 213.085845947266 4722.02392578125 1.18
9595
9596 RECORD_TITLE: MZ:302.1706 | RT:89.1 | grpid:369 | file:2
9597 MS$FOCUSED_ION: PRECURSOR_M/Z 302.170593261719
9598 AC$CHROMATOGRAPHY: RETENTION_TIME 89.058666
9599 XCMS groupid (grpid): 369
9600 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
9601 PK$NUM_PEAK: 11
9602 PK$PEAK: m/z int. rel.int.
9603 111.537490844727 2589.2255859375 0.65
9604 116.070930480957 399363.4375 100
9605 120.955596923828 2879.787109375 0.72
9606 128.070510864258 3172.29931640625 0.79
9607 159.112930297852 57991.0546875 14.52
9608 167.08186340332 4477.3642578125 1.12
9609 171.076034545898 2725.41967773438 0.68
9610 185.092102050781 5634.4248046875 1.41
9611 187.108093261719 27319.478515625 6.84
9612 203.102722167969 98053.7265625 24.55
9613 213.085845947266 4722.02392578125 1.18
9614
9615 RECORD_TITLE: MZ:302.1707 | RT:89.1 | grpid:369 | file:2
9616 MS$FOCUSED_ION: PRECURSOR_M/Z 302.170745849609
9617 AC$CHROMATOGRAPHY: RETENTION_TIME 89.058666
9618 XCMS groupid (grpid): 369
9619 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
9620 PK$NUM_PEAK: 15
9621 PK$PEAK: m/z int. rel.int.
9622 106.602005004883 2616.6298828125 1.08
9623 107.888076782227 2649.7861328125 1.09
9624 116.070938110352 242279.421875 100
9625 123.994163513184 2919.2646484375 1.2
9626 144.969955444336 3509.31982421875 1.45
9627 159.112731933594 39509.015625 16.31
9628 163.092956542969 2640.06762695312 1.09
9629 167.081405639648 2648.91552734375 1.09
9630 185.092712402344 10590.4658203125 4.37
9631 187.108139038086 16131.1796875 6.66
9632 189.086410522461 20154.86328125 8.32
9633 203.102783203125 69475.5 28.68
9634 207.951904296875 2900.83618164062 1.2
9635 213.087280273438 3746.56909179688 1.55
9636 218.32536315918 3366.72143554688 1.39
9637
9638 RECORD_TITLE: MZ:302.1707 | RT:89.1 | grpid:369 | file:2
9639 MS$FOCUSED_ION: PRECURSOR_M/Z 302.170745849609
9640 AC$CHROMATOGRAPHY: RETENTION_TIME 89.058666
9641 XCMS groupid (grpid): 369
9642 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
9643 PK$NUM_PEAK: 15
9644 PK$PEAK: m/z int. rel.int.
9645 106.602005004883 2616.6298828125 1.08
9646 107.888076782227 2649.7861328125 1.09
9647 116.070938110352 242279.421875 100
9648 123.994163513184 2919.2646484375 1.2
9649 144.969955444336 3509.31982421875 1.45
9650 159.112731933594 39509.015625 16.31
9651 163.092956542969 2640.06762695312 1.09
9652 167.081405639648 2648.91552734375 1.09
9653 185.092712402344 10590.4658203125 4.37
9654 187.108139038086 16131.1796875 6.66
9655 189.086410522461 20154.86328125 8.32
9656 203.102783203125 69475.5 28.68
9657 207.951904296875 2900.83618164062 1.2
9658 213.087280273438 3746.56909179688 1.55
9659 218.32536315918 3366.72143554688 1.39
9660
9661 RECORD_TITLE: MZ:303.1658 | RT:61.4 | grpid:373 | file:1
9662 MS$FOCUSED_ION: PRECURSOR_M/Z 303.165832519531
9663 AC$CHROMATOGRAPHY: RETENTION_TIME 61.39704
9664 XCMS groupid (grpid): 373
9665 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
9666 PK$NUM_PEAK: 45
9667 PK$PEAK: m/z int. rel.int.
9668 101.071495056152 17276.505859375 15.08
9669 102.055053710938 4332.97802734375 3.78
9670 110.024024963379 81759.390625 71.36
9671 113.107894897461 2976.39038085938 2.6
9672 124.039588928223 5228.74755859375 4.56
9673 127.050140380859 4493.58642578125 3.92
9674 129.066146850586 4715.2890625 4.12
9675 129.102722167969 12039.0185546875 10.51
9676 130.050018310547 114568.8828125 100
9677 131.045211791992 20917.966796875 18.26
9678 131.117706298828 5351.33544921875 4.67
9679 138.018890380859 4971.95068359375 4.34
9680 138.091522216797 13621.6669921875 11.89
9681 141.065841674805 13160.8203125 11.49
9682 141.102478027344 16366.97265625 14.29
9683 145.05989074707 3522.09521484375 3.07
9684 147.07633972168 64195.5078125 56.03
9685 152.03401184082 4655.56005859375 4.06
9686 152.071136474609 4296.41552734375 3.75
9687 155.04541015625 3915.62890625 3.42
9688 155.117568969727 3497.94213867188 3.05
9689 156.029052734375 95058.7421875 82.97
9690 156.040878295898 5310.615234375 4.64
9691 157.097412109375 6664.33056640625 5.82
9692 158.092910766602 2864.17456054688 2.5
9693 169.061050415039 6040.8154296875 5.27
9694 170.044723510742 59939.75 52.32
9695 172.071823120117 14756.267578125 12.88
9696 173.055633544922 94156.171875 82.18
9697 180.238861083984 3058.84375 2.67
9698 182.129089355469 4343.21923828125 3.79
9699 183.112991333008 38053.1640625 33.21
9700 186.087554931641 6614.74169921875 5.77
9701 187.071060180664 55252.01171875 48.23
9702 190.082153320312 77407.0625 67.56
9703 198.078338623047 3355.89111328125 2.93
9704 199.10774230957 6823.1240234375 5.96
9705 200.139297485352 6599.74755859375 5.76
9706 204.097793579102 66165.609375 57.75
9707 211.108001708984 16332.0712890625 14.26
9708 224.081451416016 4773.82568359375 4.17
9709 228.134613037109 17541.95703125 15.31
9710 241.117919921875 5677.2734375 4.96
9711 258.145751953125 11240.6552734375 9.81
9712 261.076507568359 6831.46142578125 5.96
9713
9714 RECORD_TITLE: MZ:303.1658 | RT:61.4 | grpid:373 | file:1
9715 MS$FOCUSED_ION: PRECURSOR_M/Z 303.165832519531
9716 AC$CHROMATOGRAPHY: RETENTION_TIME 61.39704
9717 XCMS groupid (grpid): 373
9718 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
9719 PK$NUM_PEAK: 45
9720 PK$PEAK: m/z int. rel.int.
9721 101.071495056152 17276.505859375 15.08
9722 102.055053710938 4332.97802734375 3.78
9723 110.024024963379 81759.390625 71.36
9724 113.107894897461 2976.39038085938 2.6
9725 124.039588928223 5228.74755859375 4.56
9726 127.050140380859 4493.58642578125 3.92
9727 129.066146850586 4715.2890625 4.12
9728 129.102722167969 12039.0185546875 10.51
9729 130.050018310547 114568.8828125 100
9730 131.045211791992 20917.966796875 18.26
9731 131.117706298828 5351.33544921875 4.67
9732 138.018890380859 4971.95068359375 4.34
9733 138.091522216797 13621.6669921875 11.89
9734 141.065841674805 13160.8203125 11.49
9735 141.102478027344 16366.97265625 14.29
9736 145.05989074707 3522.09521484375 3.07
9737 147.07633972168 64195.5078125 56.03
9738 152.03401184082 4655.56005859375 4.06
9739 152.071136474609 4296.41552734375 3.75
9740 155.04541015625 3915.62890625 3.42
9741 155.117568969727 3497.94213867188 3.05
9742 156.029052734375 95058.7421875 82.97
9743 156.040878295898 5310.615234375 4.64
9744 157.097412109375 6664.33056640625 5.82
9745 158.092910766602 2864.17456054688 2.5
9746 169.061050415039 6040.8154296875 5.27
9747 170.044723510742 59939.75 52.32
9748 172.071823120117 14756.267578125 12.88
9749 173.055633544922 94156.171875 82.18
9750 180.238861083984 3058.84375 2.67
9751 182.129089355469 4343.21923828125 3.79
9752 183.112991333008 38053.1640625 33.21
9753 186.087554931641 6614.74169921875 5.77
9754 187.071060180664 55252.01171875 48.23
9755 190.082153320312 77407.0625 67.56
9756 198.078338623047 3355.89111328125 2.93
9757 199.10774230957 6823.1240234375 5.96
9758 200.139297485352 6599.74755859375 5.76
9759 204.097793579102 66165.609375 57.75
9760 211.108001708984 16332.0712890625 14.26
9761 224.081451416016 4773.82568359375 4.17
9762 228.134613037109 17541.95703125 15.31
9763 241.117919921875 5677.2734375 4.96
9764 258.145751953125 11240.6552734375 9.81
9765 261.076507568359 6831.46142578125 5.96
9766
9767 RECORD_TITLE: MZ:303.1658 | RT:61.4 | grpid:373 | file:1
9768 MS$FOCUSED_ION: PRECURSOR_M/Z 303.165802001953
9769 AC$CHROMATOGRAPHY: RETENTION_TIME 61.39704
9770 XCMS groupid (grpid): 373
9771 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
9772 PK$NUM_PEAK: 43
9773 PK$PEAK: m/z int. rel.int.
9774 101.071464538574 18367.666015625 14.33
9775 110.024108886719 13310.111328125 10.38
9776 113.071151733398 16702.12890625 13.03
9777 113.161529541016 2648.88256835938 2.07
9778 115.050575256348 5107.8056640625 3.98
9779 116.071304321289 2816.13061523438 2.2
9780 118.086700439453 33100.30078125 25.82
9781 124.039344787598 21477.953125 16.76
9782 124.075965881348 7333.05419921875 5.72
9783 127.086776733398 54203.52734375 42.29
9784 129.102584838867 12142.318359375 9.47
9785 133.023803710938 3002.11206054688 2.34
9786 138.091400146484 15838.521484375 12.36
9787 140.08203125 14969.40234375 11.68
9788 141.056686401367 3076.06030273438 2.4
9789 141.065719604492 26157.06640625 20.41
9790 141.102096557617 53816.90234375 41.98
9791 143.1181640625 3417.8017578125 2.67
9792 152.070373535156 20424.6953125 15.93
9793 153.474487304688 2844.90942382812 2.22
9794 155.118179321289 11238.673828125 8.77
9795 158.092330932617 34016.0859375 26.54
9796 168.076934814453 19587.78515625 15.28
9797 169.060928344727 6712.3115234375 5.24
9798 169.097106933594 42549.7109375 33.19
9799 171.112716674805 4113.38818359375 3.21
9800 175.108016967773 13872.77734375 10.82
9801 182.129089355469 78670.0703125 61.37
9802 183.113021850586 117829.09375 91.92
9803 186.087295532227 12032.458984375 9.39
9804 186.123550415039 128183.890625 100
9805 189.123977661133 6138.59228515625 4.79
9806 199.107192993164 13898.8974609375 10.84
9807 200.139785766602 15480.9384765625 12.08
9808 210.124496459961 7106.892578125 5.54
9809 211.108840942383 13279.701171875 10.36
9810 214.119567871094 4215.654296875 3.29
9811 223.107803344727 20013.376953125 15.61
9812 227.10319519043 5454.65087890625 4.26
9813 249.111709594727 3236.0263671875 2.52
9814 269.112640380859 21471.349609375 16.75
9815 285.155151367188 33509.90625 26.14
9816 293.368133544922 3520.171875 2.75
9817
9818 RECORD_TITLE: MZ:303.1658 | RT:61.4 | grpid:373 | file:1
9819 MS$FOCUSED_ION: PRECURSOR_M/Z 303.165802001953
9820 AC$CHROMATOGRAPHY: RETENTION_TIME 61.39704
9821 XCMS groupid (grpid): 373
9822 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
9823 PK$NUM_PEAK: 43
9824 PK$PEAK: m/z int. rel.int.
9825 101.071464538574 18367.666015625 14.33
9826 110.024108886719 13310.111328125 10.38
9827 113.071151733398 16702.12890625 13.03
9828 113.161529541016 2648.88256835938 2.07
9829 115.050575256348 5107.8056640625 3.98
9830 116.071304321289 2816.13061523438 2.2
9831 118.086700439453 33100.30078125 25.82
9832 124.039344787598 21477.953125 16.76
9833 124.075965881348 7333.05419921875 5.72
9834 127.086776733398 54203.52734375 42.29
9835 129.102584838867 12142.318359375 9.47
9836 133.023803710938 3002.11206054688 2.34
9837 138.091400146484 15838.521484375 12.36
9838 140.08203125 14969.40234375 11.68
9839 141.056686401367 3076.06030273438 2.4
9840 141.065719604492 26157.06640625 20.41
9841 141.102096557617 53816.90234375 41.98
9842 143.1181640625 3417.8017578125 2.67
9843 152.070373535156 20424.6953125 15.93
9844 153.474487304688 2844.90942382812 2.22
9845 155.118179321289 11238.673828125 8.77
9846 158.092330932617 34016.0859375 26.54
9847 168.076934814453 19587.78515625 15.28
9848 169.060928344727 6712.3115234375 5.24
9849 169.097106933594 42549.7109375 33.19
9850 171.112716674805 4113.38818359375 3.21
9851 175.108016967773 13872.77734375 10.82
9852 182.129089355469 78670.0703125 61.37
9853 183.113021850586 117829.09375 91.92
9854 186.087295532227 12032.458984375 9.39
9855 186.123550415039 128183.890625 100
9856 189.123977661133 6138.59228515625 4.79
9857 199.107192993164 13898.8974609375 10.84
9858 200.139785766602 15480.9384765625 12.08
9859 210.124496459961 7106.892578125 5.54
9860 211.108840942383 13279.701171875 10.36
9861 214.119567871094 4215.654296875 3.29
9862 223.107803344727 20013.376953125 15.61
9863 227.10319519043 5454.65087890625 4.26
9864 249.111709594727 3236.0263671875 2.52
9865 269.112640380859 21471.349609375 16.75
9866 285.155151367188 33509.90625 26.14
9867 293.368133544922 3520.171875 2.75
9868
9869 RECORD_TITLE: MZ:303.0948 | RT:105.5 | grpid:373 | file:1
9870 MS$FOCUSED_ION: PRECURSOR_M/Z 303.094818115234
9871 AC$CHROMATOGRAPHY: RETENTION_TIME 105.491046
9872 XCMS groupid (grpid): 373
9873 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
9874 PK$NUM_PEAK: 20
9875 PK$PEAK: m/z int. rel.int.
9876 110.024101257324 4604.99267578125 1.29
9877 110.07202911377 3307.8427734375 0.92
9878 116.034477233887 19055.865234375 5.32
9879 127.050285339355 7118.84375 1.99
9880 133.060852050781 331211.375 92.43
9881 142.062789916992 14160.0458984375 3.95
9882 143.117950439453 358323.28125 100
9883 155.044998168945 6660.64794921875 1.86
9884 156.026748657227 133477.0625 37.25
9885 171.11262512207 34712.3984375 9.69
9886 188.06819152832 29936.05859375 8.35
9887 204.06315612793 17424.74609375 4.86
9888 223.108306884766 5881.2578125 1.64
9889 233.237411499023 3240.14697265625 0.9
9890 240.134765625 3662.93994140625 1.02
9891 246.145904541016 3731.08740234375 1.04
9892 266.815307617188 3664.97534179688 1.02
9893 300.143127441406 3281.59790039062 0.92
9894 303.095092773438 61232.3671875 17.09
9895 303.130859375 14230.2265625 3.97
9896
9897 RECORD_TITLE: MZ:303.0948 | RT:105.5 | grpid:373 | file:1
9898 MS$FOCUSED_ION: PRECURSOR_M/Z 303.094818115234
9899 AC$CHROMATOGRAPHY: RETENTION_TIME 105.491046
9900 XCMS groupid (grpid): 373
9901 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
9902 PK$NUM_PEAK: 20
9903 PK$PEAK: m/z int. rel.int.
9904 110.024101257324 4604.99267578125 1.29
9905 110.07202911377 3307.8427734375 0.92
9906 116.034477233887 19055.865234375 5.32
9907 127.050285339355 7118.84375 1.99
9908 133.060852050781 331211.375 92.43
9909 142.062789916992 14160.0458984375 3.95
9910 143.117950439453 358323.28125 100
9911 155.044998168945 6660.64794921875 1.86
9912 156.026748657227 133477.0625 37.25
9913 171.11262512207 34712.3984375 9.69
9914 188.06819152832 29936.05859375 8.35
9915 204.06315612793 17424.74609375 4.86
9916 223.108306884766 5881.2578125 1.64
9917 233.237411499023 3240.14697265625 0.9
9918 240.134765625 3662.93994140625 1.02
9919 246.145904541016 3731.08740234375 1.04
9920 266.815307617188 3664.97534179688 1.02
9921 300.143127441406 3281.59790039062 0.92
9922 303.095092773438 61232.3671875 17.09
9923 303.130859375 14230.2265625 3.97
9924
9925 RECORD_TITLE: MZ:303.0948 | RT:105.5 | grpid:373 | file:1
9926 MS$FOCUSED_ION: PRECURSOR_M/Z 303.094818115234
9927 AC$CHROMATOGRAPHY: RETENTION_TIME 105.491046
9928 XCMS groupid (grpid): 373
9929 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
9930 PK$NUM_PEAK: 26
9931 PK$PEAK: m/z int. rel.int.
9932 110.023574829102 11016.3857421875 2.99
9933 110.071388244629 3747.73095703125 1.02
9934 116.03441619873 21938.626953125 5.96
9935 118.376136779785 2806.47827148438 0.76
9936 123.772552490234 2964.31640625 0.8
9937 127.050338745117 7293.83837890625 1.98
9938 133.060852050781 290731.1875 78.92
9939 142.062759399414 12910.2421875 3.5
9940 143.117919921875 368379.6875 100
9941 144.076751708984 4025.7939453125 1.09
9942 155.045227050781 18109.939453125 4.92
9943 156.026641845703 114185.203125 31
9944 171.113159179688 19947.521484375 5.41
9945 172.071929931641 5298.69873046875 1.44
9946 188.068435668945 35821.4296875 9.72
9947 189.123565673828 3595.55395507812 0.98
9948 204.063095092773 19359.33203125 5.26
9949 208.456588745117 3086.19995117188 0.84
9950 223.107849121094 15110.73828125 4.1
9951 223.662109375 3248.54150390625 0.88
9952 224.804077148438 2972.18481445312 0.81
9953 227.103210449219 3639.86059570312 0.99
9954 240.131469726562 3783.43115234375 1.03
9955 246.144180297852 3886.61254882812 1.06
9956 303.094879150391 68342.453125 18.55
9957 303.131011962891 13898.3095703125 3.77
9958
9959 RECORD_TITLE: MZ:303.0948 | RT:105.5 | grpid:373 | file:1
9960 MS$FOCUSED_ION: PRECURSOR_M/Z 303.094818115234
9961 AC$CHROMATOGRAPHY: RETENTION_TIME 105.491046
9962 XCMS groupid (grpid): 373
9963 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
9964 PK$NUM_PEAK: 26
9965 PK$PEAK: m/z int. rel.int.
9966 110.023574829102 11016.3857421875 2.99
9967 110.071388244629 3747.73095703125 1.02
9968 116.03441619873 21938.626953125 5.96
9969 118.376136779785 2806.47827148438 0.76
9970 123.772552490234 2964.31640625 0.8
9971 127.050338745117 7293.83837890625 1.98
9972 133.060852050781 290731.1875 78.92
9973 142.062759399414 12910.2421875 3.5
9974 143.117919921875 368379.6875 100
9975 144.076751708984 4025.7939453125 1.09
9976 155.045227050781 18109.939453125 4.92
9977 156.026641845703 114185.203125 31
9978 171.113159179688 19947.521484375 5.41
9979 172.071929931641 5298.69873046875 1.44
9980 188.068435668945 35821.4296875 9.72
9981 189.123565673828 3595.55395507812 0.98
9982 204.063095092773 19359.33203125 5.26
9983 208.456588745117 3086.19995117188 0.84
9984 223.107849121094 15110.73828125 4.1
9985 223.662109375 3248.54150390625 0.88
9986 224.804077148438 2972.18481445312 0.81
9987 227.103210449219 3639.86059570312 0.99
9988 240.131469726562 3783.43115234375 1.03
9989 246.144180297852 3886.61254882812 1.06
9990 303.094879150391 68342.453125 18.55
9991 303.131011962891 13898.3095703125 3.77
9992
9993 RECORD_TITLE: MZ:303.0947 | RT:105.5 | grpid:373 | file:1
9994 MS$FOCUSED_ION: PRECURSOR_M/Z 303.0947265625
9995 AC$CHROMATOGRAPHY: RETENTION_TIME 105.491046
9996 XCMS groupid (grpid): 373
9997 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
9998 PK$NUM_PEAK: 19
9999 PK$PEAK: m/z int. rel.int.
10000 110.023948669434 15201.4501953125 6.73
10001 116.03434753418 13027.6708984375 5.77
10002 121.198669433594 2637.90063476562 1.17
10003 127.050224304199 13173.5556640625 5.83
10004 132.101989746094 6252.3115234375 2.77
10005 133.060836791992 186786 82.67
10006 142.062683105469 11634.7998046875 5.15
10007 143.117935180664 225949.796875 100
10008 155.044845581055 11967.857421875 5.3
10009 156.026672363281 111025.0234375 49.14
10010 171.112991333008 21383.33984375 9.46
10011 172.072387695312 5797.5126953125 2.57
10012 188.06803894043 34639.9375 15.33
10013 204.063125610352 12687.8671875 5.62
10014 223.106781005859 11206.4306640625 4.96
10015 240.134368896484 3921.88525390625 1.74
10016 259.108093261719 2812.29614257812 1.24
10017 303.094757080078 60774.92578125 26.9
10018 303.131896972656 13393.4365234375 5.93
10019
10020 RECORD_TITLE: MZ:303.0947 | RT:105.5 | grpid:373 | file:1
10021 MS$FOCUSED_ION: PRECURSOR_M/Z 303.0947265625
10022 AC$CHROMATOGRAPHY: RETENTION_TIME 105.491046
10023 XCMS groupid (grpid): 373
10024 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
10025 PK$NUM_PEAK: 19
10026 PK$PEAK: m/z int. rel.int.
10027 110.023948669434 15201.4501953125 6.73
10028 116.03434753418 13027.6708984375 5.77
10029 121.198669433594 2637.90063476562 1.17
10030 127.050224304199 13173.5556640625 5.83
10031 132.101989746094 6252.3115234375 2.77
10032 133.060836791992 186786 82.67
10033 142.062683105469 11634.7998046875 5.15
10034 143.117935180664 225949.796875 100
10035 155.044845581055 11967.857421875 5.3
10036 156.026672363281 111025.0234375 49.14
10037 171.112991333008 21383.33984375 9.46
10038 172.072387695312 5797.5126953125 2.57
10039 188.06803894043 34639.9375 15.33
10040 204.063125610352 12687.8671875 5.62
10041 223.106781005859 11206.4306640625 4.96
10042 240.134368896484 3921.88525390625 1.74
10043 259.108093261719 2812.29614257812 1.24
10044 303.094757080078 60774.92578125 26.9
10045 303.131896972656 13393.4365234375 5.93
10046
10047 RECORD_TITLE: MZ:303.1659 | RT:61.5 | grpid:373 | file:2
10048 MS$FOCUSED_ION: PRECURSOR_M/Z 303.165893554688
10049 AC$CHROMATOGRAPHY: RETENTION_TIME 61.541034
10050 XCMS groupid (grpid): 373
10051 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
10052 PK$NUM_PEAK: 41
10053 PK$PEAK: m/z int. rel.int.
10054 101.071395874023 18300.72265625 14.83
10055 110.023971557617 88799.8046875 71.98
10056 110.071678161621 4078.85327148438 3.31
10057 113.108039855957 4713.57666015625 3.82
10058 124.075775146484 4389.90283203125 3.56
10059 127.050109863281 4293.4560546875 3.48
10060 129.065963745117 4180.9111328125 3.39
10061 129.102508544922 11941.1533203125 9.68
10062 130.049957275391 123366.5 100
10063 131.045059204102 29113.298828125 23.6
10064 131.118392944336 12747.1845703125 10.33
10065 138.091598510742 18277.814453125 14.82
10066 141.065948486328 7267.92138671875 5.89
10067 141.102569580078 16653.923828125 13.5
10068 147.076400756836 62051.40625 50.3
10069 152.033843994141 5171.01904296875 4.19
10070 152.070327758789 4126.0048828125 3.34
10071 155.045593261719 5225.84326171875 4.24
10072 155.118270874023 7250.77001953125 5.88
10073 156.029037475586 113651.671875 92.13
10074 157.097305297852 11774.015625 9.54
10075 169.060745239258 11740.919921875 9.52
10076 169.234603881836 2946.80346679688 2.39
10077 170.044723510742 57504.55078125 46.61
10078 172.071853637695 12358.83984375 10.02
10079 173.055679321289 109214.0390625 88.53
10080 182.128372192383 23088.28125 18.72
10081 183.112823486328 70923.25 57.49
10082 186.08821105957 6221.98974609375 5.04
10083 187.071319580078 66795.359375 54.14
10084 190.082260131836 98184.53125 79.59
10085 199.106979370117 6042.24609375 4.9
10086 200.140121459961 12713.0029296875 10.31
10087 204.097839355469 68957.71875 55.9
10088 211.107452392578 22775.44140625 18.46
10089 224.080169677734 4738.3037109375 3.84
10090 226.79020690918 3202.00537109375 2.6
10091 228.13493347168 14781.4248046875 11.98
10092 258.145233154297 13773.197265625 11.16
10093 261.076416015625 4368.72607421875 3.54
10094 285.155242919922 5692.4150390625 4.61
10095
10096 RECORD_TITLE: MZ:303.1659 | RT:61.5 | grpid:373 | file:2
10097 MS$FOCUSED_ION: PRECURSOR_M/Z 303.165893554688
10098 AC$CHROMATOGRAPHY: RETENTION_TIME 61.541034
10099 XCMS groupid (grpid): 373
10100 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
10101 PK$NUM_PEAK: 41
10102 PK$PEAK: m/z int. rel.int.
10103 101.071395874023 18300.72265625 14.83
10104 110.023971557617 88799.8046875 71.98
10105 110.071678161621 4078.85327148438 3.31
10106 113.108039855957 4713.57666015625 3.82
10107 124.075775146484 4389.90283203125 3.56
10108 127.050109863281 4293.4560546875 3.48
10109 129.065963745117 4180.9111328125 3.39
10110 129.102508544922 11941.1533203125 9.68
10111 130.049957275391 123366.5 100
10112 131.045059204102 29113.298828125 23.6
10113 131.118392944336 12747.1845703125 10.33
10114 138.091598510742 18277.814453125 14.82
10115 141.065948486328 7267.92138671875 5.89
10116 141.102569580078 16653.923828125 13.5
10117 147.076400756836 62051.40625 50.3
10118 152.033843994141 5171.01904296875 4.19
10119 152.070327758789 4126.0048828125 3.34
10120 155.045593261719 5225.84326171875 4.24
10121 155.118270874023 7250.77001953125 5.88
10122 156.029037475586 113651.671875 92.13
10123 157.097305297852 11774.015625 9.54
10124 169.060745239258 11740.919921875 9.52
10125 169.234603881836 2946.80346679688 2.39
10126 170.044723510742 57504.55078125 46.61
10127 172.071853637695 12358.83984375 10.02
10128 173.055679321289 109214.0390625 88.53
10129 182.128372192383 23088.28125 18.72
10130 183.112823486328 70923.25 57.49
10131 186.08821105957 6221.98974609375 5.04
10132 187.071319580078 66795.359375 54.14
10133 190.082260131836 98184.53125 79.59
10134 199.106979370117 6042.24609375 4.9
10135 200.140121459961 12713.0029296875 10.31
10136 204.097839355469 68957.71875 55.9
10137 211.107452392578 22775.44140625 18.46
10138 224.080169677734 4738.3037109375 3.84
10139 226.79020690918 3202.00537109375 2.6
10140 228.13493347168 14781.4248046875 11.98
10141 258.145233154297 13773.197265625 11.16
10142 261.076416015625 4368.72607421875 3.54
10143 285.155242919922 5692.4150390625 4.61
10144
10145 RECORD_TITLE: MZ:303.0948 | RT:106.6 | grpid:373 | file:2
10146 MS$FOCUSED_ION: PRECURSOR_M/Z 303.094757080078
10147 AC$CHROMATOGRAPHY: RETENTION_TIME 106.573314
10148 XCMS groupid (grpid): 373
10149 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
10150 PK$NUM_PEAK: 22
10151 PK$PEAK: m/z int. rel.int.
10152 110.02392578125 14553.478515625 4.57
10153 115.762519836426 2732.40161132812 0.86
10154 116.034400939941 20459.330078125 6.43
10155 127.050415039062 5022.32373046875 1.58
10156 132.102035522461 5747.68408203125 1.81
10157 133.060852050781 271875.46875 85.43
10158 138.820343017578 2906.92578125 0.91
10159 142.062805175781 16348.48046875 5.14
10160 143.117935180664 318253.21875 100
10161 144.076812744141 3063.89331054688 0.96
10162 155.044738769531 12208.62109375 3.84
10163 156.026809692383 101227.3671875 31.81
10164 171.113189697266 26646.55859375 8.37
10165 172.071548461914 5300.23779296875 1.67
10166 188.068145751953 38924.30078125 12.23
10167 189.422637939453 3221.42138671875 1.01
10168 204.063247680664 21563.57421875 6.78
10169 223.10791015625 17075.767578125 5.37
10170 240.133682250977 5821.06689453125 1.83
10171 303.095336914062 63165.71484375 19.85
10172 303.131256103516 14183.5498046875 4.46
10173 305.864379882812 3475.26684570312 1.09
10174
10175 RECORD_TITLE: MZ:303.0948 | RT:106.6 | grpid:373 | file:2
10176 MS$FOCUSED_ION: PRECURSOR_M/Z 303.094757080078
10177 AC$CHROMATOGRAPHY: RETENTION_TIME 106.573314
10178 XCMS groupid (grpid): 373
10179 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
10180 PK$NUM_PEAK: 22
10181 PK$PEAK: m/z int. rel.int.
10182 110.02392578125 14553.478515625 4.57
10183 115.762519836426 2732.40161132812 0.86
10184 116.034400939941 20459.330078125 6.43
10185 127.050415039062 5022.32373046875 1.58
10186 132.102035522461 5747.68408203125 1.81
10187 133.060852050781 271875.46875 85.43
10188 138.820343017578 2906.92578125 0.91
10189 142.062805175781 16348.48046875 5.14
10190 143.117935180664 318253.21875 100
10191 144.076812744141 3063.89331054688 0.96
10192 155.044738769531 12208.62109375 3.84
10193 156.026809692383 101227.3671875 31.81
10194 171.113189697266 26646.55859375 8.37
10195 172.071548461914 5300.23779296875 1.67
10196 188.068145751953 38924.30078125 12.23
10197 189.422637939453 3221.42138671875 1.01
10198 204.063247680664 21563.57421875 6.78
10199 223.10791015625 17075.767578125 5.37
10200 240.133682250977 5821.06689453125 1.83
10201 303.095336914062 63165.71484375 19.85
10202 303.131256103516 14183.5498046875 4.46
10203 305.864379882812 3475.26684570312 1.09
10204
10205 RECORD_TITLE: MZ:306.1654 | RT:60.6 | grpid:379 | file:1
10206 MS$FOCUSED_ION: PRECURSOR_M/Z 306.165435791016
10207 AC$CHROMATOGRAPHY: RETENTION_TIME 60.634806
10208 XCMS groupid (grpid): 379
10209 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
10210 PK$NUM_PEAK: 27
10211 PK$PEAK: m/z int. rel.int.
10212 102.055488586426 3576.6201171875 2.29
10213 106.050354003906 46062.7578125 29.46
10214 114.09162902832 24265.951171875 15.52
10215 116.034889221191 3464.34204101562 2.22
10216 116.070938110352 47780.54296875 30.56
10217 118.086624145508 18764.42578125 12
10218 120.065841674805 5843.3857421875 3.74
10219 125.10701751709 6236.45361328125 3.99
10220 143.081573486328 16498.578125 10.55
10221 145.061111450195 4047.91162109375 2.59
10222 155.11897277832 3734.548828125 2.39
10223 157.060852050781 18543.07421875 11.86
10224 159.112808227539 156353.765625 100
10225 161.092071533203 46908.3671875 30
10226 173.128387451172 70398.625 45.03
10227 175.071090698242 33748.87890625 21.58
10228 183.11262512207 4677.25048828125 2.99
10229 187.107650756836 12120.2392578125 7.75
10230 189.086807250977 20967.38671875 13.41
10231 193.081909179688 63796.453125 40.8
10232 201.123672485352 34563.19140625 22.11
10233 205.117584228516 26845.326171875 17.17
10234 208.270767211914 3350.55541992188 2.14
10235 255.378860473633 3034.83129882812 1.94
10236 276.966583251953 3468.1474609375 2.22
10237 304.058044433594 3342.54663085938 2.14
10238 304.39501953125 3399.11840820312 2.17
10239
10240 RECORD_TITLE: MZ:306.1654 | RT:60.6 | grpid:379 | file:1
10241 MS$FOCUSED_ION: PRECURSOR_M/Z 306.165435791016
10242 AC$CHROMATOGRAPHY: RETENTION_TIME 60.634806
10243 XCMS groupid (grpid): 379
10244 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
10245 PK$NUM_PEAK: 27
10246 PK$PEAK: m/z int. rel.int.
10247 102.055488586426 3576.6201171875 2.29
10248 106.050354003906 46062.7578125 29.46
10249 114.09162902832 24265.951171875 15.52
10250 116.034889221191 3464.34204101562 2.22
10251 116.070938110352 47780.54296875 30.56
10252 118.086624145508 18764.42578125 12
10253 120.065841674805 5843.3857421875 3.74
10254 125.10701751709 6236.45361328125 3.99
10255 143.081573486328 16498.578125 10.55
10256 145.061111450195 4047.91162109375 2.59
10257 155.11897277832 3734.548828125 2.39
10258 157.060852050781 18543.07421875 11.86
10259 159.112808227539 156353.765625 100
10260 161.092071533203 46908.3671875 30
10261 173.128387451172 70398.625 45.03
10262 175.071090698242 33748.87890625 21.58
10263 183.11262512207 4677.25048828125 2.99
10264 187.107650756836 12120.2392578125 7.75
10265 189.086807250977 20967.38671875 13.41
10266 193.081909179688 63796.453125 40.8
10267 201.123672485352 34563.19140625 22.11
10268 205.117584228516 26845.326171875 17.17
10269 208.270767211914 3350.55541992188 2.14
10270 255.378860473633 3034.83129882812 1.94
10271 276.966583251953 3468.1474609375 2.22
10272 304.058044433594 3342.54663085938 2.14
10273 304.39501953125 3399.11840820312 2.17
10274
10275 RECORD_TITLE: MZ:306.1654 | RT:60.8 | grpid:379 | file:2
10276 MS$FOCUSED_ION: PRECURSOR_M/Z 306.165435791016
10277 AC$CHROMATOGRAPHY: RETENTION_TIME 60.766158
10278 XCMS groupid (grpid): 379
10279 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
10280 PK$NUM_PEAK: 25
10281 PK$PEAK: m/z int. rel.int.
10282 106.050323486328 74894.4453125 61.29
10283 112.64949798584 2889.20166015625 2.36
10284 116.070846557617 37102.015625 30.36
10285 118.086418151855 6624.6845703125 5.42
10286 125.107727050781 4460.64892578125 3.65
10287 143.081680297852 16651.744140625 13.63
10288 155.118011474609 5382.689453125 4.41
10289 157.061019897461 29957.42578125 24.52
10290 159.113739013672 3697.47241210938 3.03
10291 161.092239379883 22938.021484375 18.77
10292 166.177749633789 2888.244140625 2.36
10293 171.077407836914 4816.36328125 3.94
10294 173.128509521484 108080.40625 88.45
10295 175.071166992188 53143.015625 43.49
10296 183.112609863281 5233.77685546875 4.28
10297 189.08740234375 17957.861328125 14.7
10298 193.082046508789 122190.5546875 100
10299 198.921890258789 3008.00170898438 2.46
10300 201.122833251953 43605.234375 35.69
10301 202.244415283203 3381.41357421875 2.77
10302 205.118576049805 14258.4404296875 11.67
10303 207.097396850586 3845.00024414062 3.15
10304 219.135238647461 3163.32836914062 2.59
10305 270.143188476562 3606.33642578125 2.95
10306 309.902038574219 3108.3212890625 2.54
10307
10308 RECORD_TITLE: MZ:306.1654 | RT:60.8 | grpid:379 | file:2
10309 MS$FOCUSED_ION: PRECURSOR_M/Z 306.165435791016
10310 AC$CHROMATOGRAPHY: RETENTION_TIME 60.766158
10311 XCMS groupid (grpid): 379
10312 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
10313 PK$NUM_PEAK: 25
10314 PK$PEAK: m/z int. rel.int.
10315 106.050323486328 74894.4453125 61.29
10316 112.64949798584 2889.20166015625 2.36
10317 116.070846557617 37102.015625 30.36
10318 118.086418151855 6624.6845703125 5.42
10319 125.107727050781 4460.64892578125 3.65
10320 143.081680297852 16651.744140625 13.63
10321 155.118011474609 5382.689453125 4.41
10322 157.061019897461 29957.42578125 24.52
10323 159.113739013672 3697.47241210938 3.03
10324 161.092239379883 22938.021484375 18.77
10325 166.177749633789 2888.244140625 2.36
10326 171.077407836914 4816.36328125 3.94
10327 173.128509521484 108080.40625 88.45
10328 175.071166992188 53143.015625 43.49
10329 183.112609863281 5233.77685546875 4.28
10330 189.08740234375 17957.861328125 14.7
10331 193.082046508789 122190.5546875 100
10332 198.921890258789 3008.00170898438 2.46
10333 201.122833251953 43605.234375 35.69
10334 202.244415283203 3381.41357421875 2.77
10335 205.118576049805 14258.4404296875 11.67
10336 207.097396850586 3845.00024414062 3.15
10337 219.135238647461 3163.32836914062 2.59
10338 270.143188476562 3606.33642578125 2.95
10339 309.902038574219 3108.3212890625 2.54
10340
10341 RECORD_TITLE: MZ:307.0644 | RT:83.4 | grpid:381 | file:1
10342 MS$FOCUSED_ION: PRECURSOR_M/Z 307.064361572266
10343 AC$CHROMATOGRAPHY: RETENTION_TIME 83.441172
10344 XCMS groupid (grpid): 381
10345 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
10346 PK$NUM_PEAK: 9
10347 PK$PEAK: m/z int. rel.int.
10348 133.049545288086 5159.76806640625 0.38
10349 155.031463623047 6253.12939453125 0.46
10350 156.391296386719 3223.2578125 0.24
10351 174.132141113281 6437.02978515625 0.47
10352 175.02262878418 1363466.75 100
10353 193.032424926758 3446.2578125 0.25
10354 193.298492431641 2871.95751953125 0.21
10355 216.04899597168 22096.67578125 1.62
10356 307.064575195312 124718.9375 9.15
10357
10358 RECORD_TITLE: MZ:307.0644 | RT:83.4 | grpid:381 | file:1
10359 MS$FOCUSED_ION: PRECURSOR_M/Z 307.064361572266
10360 AC$CHROMATOGRAPHY: RETENTION_TIME 83.441172
10361 XCMS groupid (grpid): 381
10362 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
10363 PK$NUM_PEAK: 9
10364 PK$PEAK: m/z int. rel.int.
10365 133.049545288086 5159.76806640625 0.38
10366 155.031463623047 6253.12939453125 0.46
10367 156.391296386719 3223.2578125 0.24
10368 174.132141113281 6437.02978515625 0.47
10369 175.02262878418 1363466.75 100
10370 193.032424926758 3446.2578125 0.25
10371 193.298492431641 2871.95751953125 0.21
10372 216.04899597168 22096.67578125 1.62
10373 307.064575195312 124718.9375 9.15
10374
10375 RECORD_TITLE: MZ:307.0644 | RT:84.4 | grpid:381 | file:2
10376 MS$FOCUSED_ION: PRECURSOR_M/Z 307.064361572266
10377 AC$CHROMATOGRAPHY: RETENTION_TIME 84.41529
10378 XCMS groupid (grpid): 381
10379 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
10380 PK$NUM_PEAK: 10
10381 PK$PEAK: m/z int. rel.int.
10382 118.766929626465 2792.95947265625 0.22
10383 133.049179077148 4814.24609375 0.39
10384 155.032363891602 3902.88134765625 0.31
10385 173.128509521484 4659.6298828125 0.37
10386 174.131713867188 16377.5361328125 1.32
10387 175.022659301758 1243427.75 100
10388 194.809097290039 2825.58129882812 0.23
10389 216.04899597168 16765.642578125 1.35
10390 294.689575195312 3187.49096679688 0.26
10391 307.065185546875 100591.7265625 8.09
10392
10393 RECORD_TITLE: MZ:307.0644 | RT:84.4 | grpid:381 | file:2
10394 MS$FOCUSED_ION: PRECURSOR_M/Z 307.064361572266
10395 AC$CHROMATOGRAPHY: RETENTION_TIME 84.41529
10396 XCMS groupid (grpid): 381
10397 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
10398 PK$NUM_PEAK: 10
10399 PK$PEAK: m/z int. rel.int.
10400 118.766929626465 2792.95947265625 0.22
10401 133.049179077148 4814.24609375 0.39
10402 155.032363891602 3902.88134765625 0.31
10403 173.128509521484 4659.6298828125 0.37
10404 174.131713867188 16377.5361328125 1.32
10405 175.022659301758 1243427.75 100
10406 194.809097290039 2825.58129882812 0.23
10407 216.04899597168 16765.642578125 1.35
10408 294.689575195312 3187.49096679688 0.26
10409 307.065185546875 100591.7265625 8.09
10410
10411 RECORD_TITLE: MZ:310.1391 | RT:64.4 | grpid:390 | file:1
10412 MS$FOCUSED_ION: PRECURSOR_M/Z 310.139099121094
10413 AC$CHROMATOGRAPHY: RETENTION_TIME 64.427298
10414 XCMS groupid (grpid): 390
10415 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
10416 PK$NUM_PEAK: 30
10417 PK$PEAK: m/z int. rel.int.
10418 101.071449279785 48478.1953125 3.65
10419 102.055252075195 7670.65087890625 0.58
10420 107.049453735352 45553.19921875 3.43
10421 118.064765930176 5521.37060546875 0.42
10422 119.049392700195 170980.6875 12.88
10423 129.102386474609 19331.947265625 1.46
10424 130.049987792969 634170.25 47.77
10425 130.086410522461 27528.513671875 2.07
10426 136.075744628906 1327431.125 100
10427 142.047698974609 4177.8212890625 0.31
10428 147.044296264648 79662.3125 6
10429 147.076385498047 580076.5625 43.7
10430 147.112426757812 29871.99609375 2.25
10431 164.070419311523 6033.85009765625 0.45
10432 165.054351806641 4315.41455078125 0.33
10433 171.076309204102 4954.19189453125 0.37
10434 181.097259521484 39991.01171875 3.01
10435 182.080657958984 3655.09594726562 0.28
10436 195.074569702148 17532.904296875 1.32
10437 202.086074829102 6956.16845703125 0.52
10438 208.992401123047 3394.27856445312 0.26
10439 213.083847045898 15632.0244140625 1.18
10440 248.093536376953 5122.92138671875 0.39
10441 258.075561523438 4643.25 0.35
10442 266.110534667969 46120.03125 3.47
10443 274.932250976562 3154.478515625 0.24
10444 276.086181640625 35498.7421875 2.67
10445 293.112335205078 16164.1708984375 1.22
10446 310.14013671875 39121.29296875 2.95
10447 310.173400878906 6785.9521484375 0.51
10448
10449 RECORD_TITLE: MZ:310.1391 | RT:64.4 | grpid:390 | file:1
10450 MS$FOCUSED_ION: PRECURSOR_M/Z 310.139099121094
10451 AC$CHROMATOGRAPHY: RETENTION_TIME 64.427298
10452 XCMS groupid (grpid): 390
10453 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
10454 PK$NUM_PEAK: 30
10455 PK$PEAK: m/z int. rel.int.
10456 101.071449279785 48478.1953125 3.65
10457 102.055252075195 7670.65087890625 0.58
10458 107.049453735352 45553.19921875 3.43
10459 118.064765930176 5521.37060546875 0.42
10460 119.049392700195 170980.6875 12.88
10461 129.102386474609 19331.947265625 1.46
10462 130.049987792969 634170.25 47.77
10463 130.086410522461 27528.513671875 2.07
10464 136.075744628906 1327431.125 100
10465 142.047698974609 4177.8212890625 0.31
10466 147.044296264648 79662.3125 6
10467 147.076385498047 580076.5625 43.7
10468 147.112426757812 29871.99609375 2.25
10469 164.070419311523 6033.85009765625 0.45
10470 165.054351806641 4315.41455078125 0.33
10471 171.076309204102 4954.19189453125 0.37
10472 181.097259521484 39991.01171875 3.01
10473 182.080657958984 3655.09594726562 0.28
10474 195.074569702148 17532.904296875 1.32
10475 202.086074829102 6956.16845703125 0.52
10476 208.992401123047 3394.27856445312 0.26
10477 213.083847045898 15632.0244140625 1.18
10478 248.093536376953 5122.92138671875 0.39
10479 258.075561523438 4643.25 0.35
10480 266.110534667969 46120.03125 3.47
10481 274.932250976562 3154.478515625 0.24
10482 276.086181640625 35498.7421875 2.67
10483 293.112335205078 16164.1708984375 1.22
10484 310.14013671875 39121.29296875 2.95
10485 310.173400878906 6785.9521484375 0.51
10486
10487 RECORD_TITLE: MZ:310.1733 | RT:99.9 | grpid:390 | file:1
10488 MS$FOCUSED_ION: PRECURSOR_M/Z 310.173309326172
10489 AC$CHROMATOGRAPHY: RETENTION_TIME 99.89805
10490 XCMS groupid (grpid): 390
10491 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
10492 PK$NUM_PEAK: 11
10493 PK$PEAK: m/z int. rel.int.
10494 110.155097961426 2676.5810546875 0.85
10495 112.037208557129 93422.6875 29.64
10496 128.505966186523 2817.84057617188 0.89
10497 136.075531005859 6109.5654296875 1.94
10498 140.068084716797 6223.75146484375 1.97
10499 150.052597045898 58786.20703125 18.65
10500 211.104736328125 10040.5458984375 3.19
10501 221.125839233398 5832.0478515625 1.85
10502 239.136581420898 117392.2734375 37.25
10503 304.273651123047 2863.95190429688 0.91
10504 310.173461914062 315141.34375 100
10505
10506 RECORD_TITLE: MZ:310.1733 | RT:99.9 | grpid:390 | file:1
10507 MS$FOCUSED_ION: PRECURSOR_M/Z 310.173309326172
10508 AC$CHROMATOGRAPHY: RETENTION_TIME 99.89805
10509 XCMS groupid (grpid): 390
10510 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
10511 PK$NUM_PEAK: 11
10512 PK$PEAK: m/z int. rel.int.
10513 110.155097961426 2676.5810546875 0.85
10514 112.037208557129 93422.6875 29.64
10515 128.505966186523 2817.84057617188 0.89
10516 136.075531005859 6109.5654296875 1.94
10517 140.068084716797 6223.75146484375 1.97
10518 150.052597045898 58786.20703125 18.65
10519 211.104736328125 10040.5458984375 3.19
10520 221.125839233398 5832.0478515625 1.85
10521 239.136581420898 117392.2734375 37.25
10522 304.273651123047 2863.95190429688 0.91
10523 310.173461914062 315141.34375 100
10524
10525 RECORD_TITLE: MZ:310.1733 | RT:100.1 | grpid:390 | file:2
10526 MS$FOCUSED_ION: PRECURSOR_M/Z 310.173309326172
10527 AC$CHROMATOGRAPHY: RETENTION_TIME 100.10529
10528 XCMS groupid (grpid): 390
10529 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
10530 PK$NUM_PEAK: 20
10531 PK$PEAK: m/z int. rel.int.
10532 112.037353515625 76872.484375 23.39
10533 122.226097106934 2590.57788085938 0.79
10534 136.075698852539 2975.9716796875 0.91
10535 140.068496704102 13813.8818359375 4.2
10536 150.052734375 64153.66796875 19.52
10537 150.443908691406 2979.03173828125 0.91
10538 152.053649902344 6134.9091796875 1.87
10539 161.502365112305 2828.345703125 0.86
10540 211.104782104492 17736.466796875 5.4
10541 221.125762939453 5041.767578125 1.53
10542 231.580581665039 2973.04028320312 0.9
10543 234.454711914062 2736.16625976562 0.83
10544 239.136474609375 120187.484375 36.57
10545 241.37614440918 3378.51806640625 1.03
10546 245.100341796875 3069.955078125 0.93
10547 250.42936706543 2767.24926757812 0.84
10548 283.275482177734 3348.0849609375 1.02
10549 292.165405273438 3616.77392578125 1.1
10550 310.173583984375 328608.09375 100
10551 332.187194824219 2774.29077148438 0.84
10552
10553 RECORD_TITLE: MZ:310.1733 | RT:100.1 | grpid:390 | file:2
10554 MS$FOCUSED_ION: PRECURSOR_M/Z 310.173309326172
10555 AC$CHROMATOGRAPHY: RETENTION_TIME 100.10529
10556 XCMS groupid (grpid): 390
10557 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
10558 PK$NUM_PEAK: 20
10559 PK$PEAK: m/z int. rel.int.
10560 112.037353515625 76872.484375 23.39
10561 122.226097106934 2590.57788085938 0.79
10562 136.075698852539 2975.9716796875 0.91
10563 140.068496704102 13813.8818359375 4.2
10564 150.052734375 64153.66796875 19.52
10565 150.443908691406 2979.03173828125 0.91
10566 152.053649902344 6134.9091796875 1.87
10567 161.502365112305 2828.345703125 0.86
10568 211.104782104492 17736.466796875 5.4
10569 221.125762939453 5041.767578125 1.53
10570 231.580581665039 2973.04028320312 0.9
10571 234.454711914062 2736.16625976562 0.83
10572 239.136474609375 120187.484375 36.57
10573 241.37614440918 3378.51806640625 1.03
10574 245.100341796875 3069.955078125 0.93
10575 250.42936706543 2767.24926757812 0.84
10576 283.275482177734 3348.0849609375 1.02
10577 292.165405273438 3616.77392578125 1.1
10578 310.173583984375 328608.09375 100
10579 332.187194824219 2774.29077148438 0.84
10580
10581 RECORD_TITLE: MZ:311.1232 | RT:60.6 | grpid:391 | file:1
10582 MS$FOCUSED_ION: PRECURSOR_M/Z 311.123199462891
10583 AC$CHROMATOGRAPHY: RETENTION_TIME 60.634806
10584 XCMS groupid (grpid): 391
10585 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
10586 PK$NUM_PEAK: 22
10587 PK$PEAK: m/z int. rel.int.
10588 102.055458068848 76959.8515625 11.06
10589 107.049293518066 17190.248046875 2.47
10590 119.049499511719 59540.203125 8.55
10591 123.044303894043 60334.95703125 8.67
10592 125.070899963379 4262.61376953125 0.61
10593 130.049652099609 4640.02734375 0.67
10594 136.075744628906 696038.6875 100
10595 147.044006347656 43090.68359375 6.19
10596 148.060165405273 5060.16064453125 0.73
10597 148.084915161133 2965.43701171875 0.43
10598 153.065856933594 15198.3740234375 2.18
10599 159.057067871094 2885.26391601562 0.41
10600 165.054641723633 211866.109375 30.44
10601 182.081207275391 288312.28125 41.42
10602 192.803115844727 2815.35791015625 0.4
10603 202.085876464844 40063.30078125 5.76
10604 247.107452392578 215120.8125 30.91
10605 261.415008544922 3475.93676757812 0.5
10606 293.112396240234 32461.78125 4.66
10607 294.107330322266 3196.60620117188 0.46
10608 297.643768310547 3068.45141601562 0.44
10609 311.13720703125 3376.45483398438 0.49
10610
10611 RECORD_TITLE: MZ:311.1232 | RT:60.6 | grpid:391 | file:1
10612 MS$FOCUSED_ION: PRECURSOR_M/Z 311.123199462891
10613 AC$CHROMATOGRAPHY: RETENTION_TIME 60.634806
10614 XCMS groupid (grpid): 391
10615 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
10616 PK$NUM_PEAK: 22
10617 PK$PEAK: m/z int. rel.int.
10618 102.055458068848 76959.8515625 11.06
10619 107.049293518066 17190.248046875 2.47
10620 119.049499511719 59540.203125 8.55
10621 123.044303894043 60334.95703125 8.67
10622 125.070899963379 4262.61376953125 0.61
10623 130.049652099609 4640.02734375 0.67
10624 136.075744628906 696038.6875 100
10625 147.044006347656 43090.68359375 6.19
10626 148.060165405273 5060.16064453125 0.73
10627 148.084915161133 2965.43701171875 0.43
10628 153.065856933594 15198.3740234375 2.18
10629 159.057067871094 2885.26391601562 0.41
10630 165.054641723633 211866.109375 30.44
10631 182.081207275391 288312.28125 41.42
10632 192.803115844727 2815.35791015625 0.4
10633 202.085876464844 40063.30078125 5.76
10634 247.107452392578 215120.8125 30.91
10635 261.415008544922 3475.93676757812 0.5
10636 293.112396240234 32461.78125 4.66
10637 294.107330322266 3196.60620117188 0.46
10638 297.643768310547 3068.45141601562 0.44
10639 311.13720703125 3376.45483398438 0.49
10640
10641 RECORD_TITLE: MZ:311.1232 | RT:60.6 | grpid:391 | file:1
10642 MS$FOCUSED_ION: PRECURSOR_M/Z 311.123229980469
10643 AC$CHROMATOGRAPHY: RETENTION_TIME 60.634806
10644 XCMS groupid (grpid): 391
10645 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
10646 PK$NUM_PEAK: 32
10647 PK$PEAK: m/z int. rel.int.
10648 102.055267333984 25959.181640625 1.56
10649 103.05436706543 7600.23388671875 0.46
10650 107.049491882324 6836.66650390625 0.41
10651 109.065208435059 5418.91796875 0.33
10652 119.049354553223 371885.4375 22.41
10653 120.052780151367 7634.90185546875 0.46
10654 121.065139770508 9486.77734375 0.57
10655 123.044273376465 666841.75 40.19
10656 130.049957275391 285675.53125 17.22
10657 131.053817749023 35711.140625 2.15
10658 136.075714111328 1659194.25 100
10659 137.061065673828 4383.38623046875 0.26
10660 137.079177856445 113667.5234375 6.85
10661 147.043991088867 318522.1875 19.2
10662 147.076293945312 62146.0859375 3.75
10663 148.047470092773 6516.5263671875 0.39
10664 148.080047607422 35857.18359375 2.16
10665 151.880661010742 4251.25390625 0.26
10666 165.054595947266 1321395.125 79.64
10667 166.294631958008 4826.2314453125 0.29
10668 182.081146240234 536583.5625 32.34
10669 202.086196899414 256501.421875 15.46
10670 202.100662231445 5722.71240234375 0.34
10671 208.105499267578 5755.10595703125 0.35
10672 212.064331054688 61784.80859375 3.72
10673 248.091522216797 136433.484375 8.22
10674 248.334350585938 4942.72265625 0.3
10675 250.001190185547 4457.26806640625 0.27
10676 275.164428710938 4258.0537109375 0.26
10677 290.621398925781 4374.6171875 0.26
10678 294.096374511719 93190.0859375 5.62
10679 311.131652832031 58676.25390625 3.54
10680
10681 RECORD_TITLE: MZ:311.1232 | RT:60.6 | grpid:391 | file:1
10682 MS$FOCUSED_ION: PRECURSOR_M/Z 311.123229980469
10683 AC$CHROMATOGRAPHY: RETENTION_TIME 60.634806
10684 XCMS groupid (grpid): 391
10685 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
10686 PK$NUM_PEAK: 32
10687 PK$PEAK: m/z int. rel.int.
10688 102.055267333984 25959.181640625 1.56
10689 103.05436706543 7600.23388671875 0.46
10690 107.049491882324 6836.66650390625 0.41
10691 109.065208435059 5418.91796875 0.33
10692 119.049354553223 371885.4375 22.41
10693 120.052780151367 7634.90185546875 0.46
10694 121.065139770508 9486.77734375 0.57
10695 123.044273376465 666841.75 40.19
10696 130.049957275391 285675.53125 17.22
10697 131.053817749023 35711.140625 2.15
10698 136.075714111328 1659194.25 100
10699 137.061065673828 4383.38623046875 0.26
10700 137.079177856445 113667.5234375 6.85
10701 147.043991088867 318522.1875 19.2
10702 147.076293945312 62146.0859375 3.75
10703 148.047470092773 6516.5263671875 0.39
10704 148.080047607422 35857.18359375 2.16
10705 151.880661010742 4251.25390625 0.26
10706 165.054595947266 1321395.125 79.64
10707 166.294631958008 4826.2314453125 0.29
10708 182.081146240234 536583.5625 32.34
10709 202.086196899414 256501.421875 15.46
10710 202.100662231445 5722.71240234375 0.34
10711 208.105499267578 5755.10595703125 0.35
10712 212.064331054688 61784.80859375 3.72
10713 248.091522216797 136433.484375 8.22
10714 248.334350585938 4942.72265625 0.3
10715 250.001190185547 4457.26806640625 0.27
10716 275.164428710938 4258.0537109375 0.26
10717 290.621398925781 4374.6171875 0.26
10718 294.096374511719 93190.0859375 5.62
10719 311.131652832031 58676.25390625 3.54
10720
10721 RECORD_TITLE: MZ:311.1233 | RT:60.8 | grpid:391 | file:2
10722 MS$FOCUSED_ION: PRECURSOR_M/Z 311.123321533203
10723 AC$CHROMATOGRAPHY: RETENTION_TIME 60.766158
10724 XCMS groupid (grpid): 391
10725 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
10726 PK$NUM_PEAK: 26
10727 PK$PEAK: m/z int. rel.int.
10728 102.048942565918 4303.8115234375 0.76
10729 102.055313110352 74308.8984375 13.2
10730 107.049201965332 18898.404296875 3.36
10731 114.61727142334 2876.46118164062 0.51
10732 119.049339294434 51428.6875 9.13
10733 119.307312011719 3252.21557617188 0.58
10734 123.044212341309 51497.53125 9.15
10735 125.071250915527 6366.970703125 1.13
10736 134.996307373047 3666.89208984375 0.65
10737 136.075714111328 563078.1875 100
10738 147.043991088867 39670.6875 7.05
10739 153.065795898438 16919.931640625 3
10740 155.041900634766 2950.26489257812 0.52
10741 165.040451049805 6191.5 1.1
10742 165.054611206055 193864.90625 34.43
10743 173.486709594727 3112.88696289062 0.55
10744 182.081207275391 279716.875 49.68
10745 202.086212158203 43266.203125 7.68
10746 212.546920776367 3294.35961914062 0.59
10747 215.030548095703 2844.96044921875 0.51
10748 219.112503051758 3053.4462890625 0.54
10749 225.296691894531 3369.232421875 0.6
10750 247.107391357422 206649.390625 36.7
10751 266.758697509766 3608.98876953125 0.64
10752 293.114105224609 29779.12890625 5.29
10753 311.138702392578 3576.6796875 0.64
10754
10755 RECORD_TITLE: MZ:311.1233 | RT:60.8 | grpid:391 | file:2
10756 MS$FOCUSED_ION: PRECURSOR_M/Z 311.123321533203
10757 AC$CHROMATOGRAPHY: RETENTION_TIME 60.766158
10758 XCMS groupid (grpid): 391
10759 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
10760 PK$NUM_PEAK: 26
10761 PK$PEAK: m/z int. rel.int.
10762 102.048942565918 4303.8115234375 0.76
10763 102.055313110352 74308.8984375 13.2
10764 107.049201965332 18898.404296875 3.36
10765 114.61727142334 2876.46118164062 0.51
10766 119.049339294434 51428.6875 9.13
10767 119.307312011719 3252.21557617188 0.58
10768 123.044212341309 51497.53125 9.15
10769 125.071250915527 6366.970703125 1.13
10770 134.996307373047 3666.89208984375 0.65
10771 136.075714111328 563078.1875 100
10772 147.043991088867 39670.6875 7.05
10773 153.065795898438 16919.931640625 3
10774 155.041900634766 2950.26489257812 0.52
10775 165.040451049805 6191.5 1.1
10776 165.054611206055 193864.90625 34.43
10777 173.486709594727 3112.88696289062 0.55
10778 182.081207275391 279716.875 49.68
10779 202.086212158203 43266.203125 7.68
10780 212.546920776367 3294.35961914062 0.59
10781 215.030548095703 2844.96044921875 0.51
10782 219.112503051758 3053.4462890625 0.54
10783 225.296691894531 3369.232421875 0.6
10784 247.107391357422 206649.390625 36.7
10785 266.758697509766 3608.98876953125 0.64
10786 293.114105224609 29779.12890625 5.29
10787 311.138702392578 3576.6796875 0.64
10788
10789 RECORD_TITLE: MZ:311.1233 | RT:60.8 | grpid:391 | file:2
10790 MS$FOCUSED_ION: PRECURSOR_M/Z 311.123321533203
10791 AC$CHROMATOGRAPHY: RETENTION_TIME 60.766158
10792 XCMS groupid (grpid): 391
10793 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
10794 PK$NUM_PEAK: 28
10795 PK$PEAK: m/z int. rel.int.
10796 102.055397033691 19171.626953125 2.03
10797 107.049255371094 4313.7041015625 0.46
10798 119.049407958984 234709.6875 24.8
10799 120.052795410156 13018.21875 1.38
10800 121.065002441406 12987.8896484375 1.37
10801 123.044296264648 365201.78125 38.58
10802 130.050018310547 172159.390625 18.19
10803 131.053527832031 22450.779296875 2.37
10804 136.075729370117 946540.9375 100
10805 137.060455322266 3380.46362304688 0.36
10806 137.079238891602 73919.7890625 7.81
10807 147.044006347656 192535.203125 20.34
10808 147.076248168945 30451.986328125 3.22
10809 148.079696655273 18641.900390625 1.97
10810 165.054626464844 735653.75 77.72
10811 176.294235229492 3482.40258789062 0.37
10812 182.081192016602 307750.375 32.51
10813 202.08625793457 142459.71875 15.05
10814 208.10578918457 6299.55322265625 0.67
10815 212.064117431641 20118.21875 2.13
10816 220.097061157227 4142.263671875 0.44
10817 246.04460144043 4092.14892578125 0.43
10818 247.108047485352 3668.5224609375 0.39
10819 248.091094970703 87041.5234375 9.2
10820 294.096649169922 58689.56640625 6.2
10821 311.13134765625 28442.384765625 3
10822 313.788848876953 3409.77734375 0.36
10823 320.026641845703 3267.57104492188 0.35
10824
10825 RECORD_TITLE: MZ:311.1233 | RT:60.8 | grpid:391 | file:2
10826 MS$FOCUSED_ION: PRECURSOR_M/Z 311.123321533203
10827 AC$CHROMATOGRAPHY: RETENTION_TIME 60.766158
10828 XCMS groupid (grpid): 391
10829 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
10830 PK$NUM_PEAK: 28
10831 PK$PEAK: m/z int. rel.int.
10832 102.055397033691 19171.626953125 2.03
10833 107.049255371094 4313.7041015625 0.46
10834 119.049407958984 234709.6875 24.8
10835 120.052795410156 13018.21875 1.38
10836 121.065002441406 12987.8896484375 1.37
10837 123.044296264648 365201.78125 38.58
10838 130.050018310547 172159.390625 18.19
10839 131.053527832031 22450.779296875 2.37
10840 136.075729370117 946540.9375 100
10841 137.060455322266 3380.46362304688 0.36
10842 137.079238891602 73919.7890625 7.81
10843 147.044006347656 192535.203125 20.34
10844 147.076248168945 30451.986328125 3.22
10845 148.079696655273 18641.900390625 1.97
10846 165.054626464844 735653.75 77.72
10847 176.294235229492 3482.40258789062 0.37
10848 182.081192016602 307750.375 32.51
10849 202.08625793457 142459.71875 15.05
10850 208.10578918457 6299.55322265625 0.67
10851 212.064117431641 20118.21875 2.13
10852 220.097061157227 4142.263671875 0.44
10853 246.04460144043 4092.14892578125 0.43
10854 247.108047485352 3668.5224609375 0.39
10855 248.091094970703 87041.5234375 9.2
10856 294.096649169922 58689.56640625 6.2
10857 311.13134765625 28442.384765625 3
10858 313.788848876953 3409.77734375 0.36
10859 320.026641845703 3267.57104492188 0.35
10860
10861 RECORD_TITLE: MZ:313.1752 | RT:70.5 | grpid:397 | file:1
10862 MS$FOCUSED_ION: PRECURSOR_M/Z 313.175231933594
10863 AC$CHROMATOGRAPHY: RETENTION_TIME 70.461672
10864 XCMS groupid (grpid): 397
10865 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
10866 PK$NUM_PEAK: 12
10867 PK$PEAK: m/z int. rel.int.
10868 101.695213317871 3385.59912109375 42.51
10869 123.04426574707 3538.955078125 44.44
10870 126.253456115723 3662.13037109375 45.98
10871 136.07536315918 5355.38623046875 67.25
10872 145.595932006836 3384.28491210938 42.5
10873 165.05485534668 7963.8818359375 100
10874 182.080932617188 4217.93798828125 52.96
10875 183.308929443359 3979.28833007812 49.97
10876 190.214126586914 3634.75854492188 45.64
10877 275.897308349609 4505.84912109375 56.58
10878 313.157958984375 4618.80029296875 58
10879 324.759063720703 3623.89794921875 45.5
10880
10881 RECORD_TITLE: MZ:313.1752 | RT:70.5 | grpid:397 | file:1
10882 MS$FOCUSED_ION: PRECURSOR_M/Z 313.175231933594
10883 AC$CHROMATOGRAPHY: RETENTION_TIME 70.461672
10884 XCMS groupid (grpid): 397
10885 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
10886 PK$NUM_PEAK: 12
10887 PK$PEAK: m/z int. rel.int.
10888 101.695213317871 3385.59912109375 42.51
10889 123.04426574707 3538.955078125 44.44
10890 126.253456115723 3662.13037109375 45.98
10891 136.07536315918 5355.38623046875 67.25
10892 145.595932006836 3384.28491210938 42.5
10893 165.05485534668 7963.8818359375 100
10894 182.080932617188 4217.93798828125 52.96
10895 183.308929443359 3979.28833007812 49.97
10896 190.214126586914 3634.75854492188 45.64
10897 275.897308349609 4505.84912109375 56.58
10898 313.157958984375 4618.80029296875 58
10899 324.759063720703 3623.89794921875 45.5
10900
10901 RECORD_TITLE: MZ:313.1753 | RT:70.6 | grpid:397 | file:2
10902 MS$FOCUSED_ION: PRECURSOR_M/Z 313.175262451172
10903 AC$CHROMATOGRAPHY: RETENTION_TIME 70.627524
10904 XCMS groupid (grpid): 397
10905 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
10906 PK$NUM_PEAK: 11
10907 PK$PEAK: m/z int. rel.int.
10908 101.525428771973 4244.95068359375 26.63
10909 119.048828125 4152.005859375 26.04
10910 123.043998718262 4032.08984375 25.29
10911 124.907073974609 4038.091796875 25.33
10912 130.359146118164 3944.45581054688 24.74
10913 136.075454711914 9064.216796875 56.86
10914 150.716735839844 4027.36254882812 25.26
10915 165.054809570312 15942.01171875 100
10916 285.324310302734 4988.541015625 31.29
10917 313.157501220703 6084.83349609375 38.17
10918 329.386474609375 3902.72241210938 24.48
10919
10920 RECORD_TITLE: MZ:313.1753 | RT:70.6 | grpid:397 | file:2
10921 MS$FOCUSED_ION: PRECURSOR_M/Z 313.175262451172
10922 AC$CHROMATOGRAPHY: RETENTION_TIME 70.627524
10923 XCMS groupid (grpid): 397
10924 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
10925 PK$NUM_PEAK: 11
10926 PK$PEAK: m/z int. rel.int.
10927 101.525428771973 4244.95068359375 26.63
10928 119.048828125 4152.005859375 26.04
10929 123.043998718262 4032.08984375 25.29
10930 124.907073974609 4038.091796875 25.33
10931 130.359146118164 3944.45581054688 24.74
10932 136.075454711914 9064.216796875 56.86
10933 150.716735839844 4027.36254882812 25.26
10934 165.054809570312 15942.01171875 100
10935 285.324310302734 4988.541015625 31.29
10936 313.157501220703 6084.83349609375 38.17
10937 329.386474609375 3902.72241210938 24.48
10938
10939 RECORD_TITLE: MZ:317.1815 | RT:69.2 | grpid:407 | file:2
10940 MS$FOCUSED_ION: PRECURSOR_M/Z 317.181549072266
10941 AC$CHROMATOGRAPHY: RETENTION_TIME 69.154026
10942 XCMS groupid (grpid): 407
10943 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
10944 PK$NUM_PEAK: 38
10945 PK$PEAK: m/z int. rel.int.
10946 100.000617980957 2764.93823242188 1.39
10947 101.071342468262 52776.33203125 26.46
10948 110.060340881348 24591.759765625 12.33
10949 116.03458404541 7157.07080078125 3.59
10950 118.086532592773 152523.0625 76.46
10951 125.355590820312 2952.05908203125 1.48
10952 127.08674621582 14919.6650390625 7.48
10953 129.065933227539 16939.873046875 8.49
10954 129.10237121582 7230.80224609375 3.62
10955 129.56950378418 3229.58862304688 1.62
10956 131.117965698242 30788.45703125 15.43
10957 133.050811767578 7192.8984375 3.61
10958 133.060806274414 179811.671875 90.14
10959 138.091247558594 16915.5078125 8.48
10960 143.117614746094 6017.39697265625 3.02
10961 154.09748840332 199481.4375 100
10962 154.110397338867 6653.892578125 3.34
10963 155.015762329102 4930.830078125 2.47
10964 155.081466674805 134560.96875 67.46
10965 155.117370605469 11757.0791015625 5.89
10966 157.133438110352 94024.890625 47.13
10967 172.10791015625 36266.9609375 18.18
10968 182.092483520508 98820.796875 49.54
10969 182.128387451172 56813.08203125 28.48
10970 183.076568603516 32172.50390625 16.13
10971 183.112655639648 61549.1640625 30.85
10972 185.128265380859 24880.546875 12.47
10973 186.087173461914 34429.53125 17.26
10974 187.071228027344 90435.7109375 45.34
10975 189.123641967773 17734.556640625 8.89
10976 200.103057861328 19847.759765625 9.95
10977 200.138961791992 14177.5244140625 7.11
10978 204.097778320312 75055.6953125 37.63
10979 208.096878051758 5119.6318359375 2.57
10980 210.124572753906 14695.6591796875 7.37
10981 225.123199462891 4797.7587890625 2.41
10982 245.35807800293 3679.95971679688 1.84
10983 299.171508789062 68947.8515625 34.56
10984
10985 RECORD_TITLE: MZ:317.1815 | RT:69.2 | grpid:407 | file:2
10986 MS$FOCUSED_ION: PRECURSOR_M/Z 317.181549072266
10987 AC$CHROMATOGRAPHY: RETENTION_TIME 69.154026
10988 XCMS groupid (grpid): 407
10989 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
10990 PK$NUM_PEAK: 38
10991 PK$PEAK: m/z int. rel.int.
10992 100.000617980957 2764.93823242188 1.39
10993 101.071342468262 52776.33203125 26.46
10994 110.060340881348 24591.759765625 12.33
10995 116.03458404541 7157.07080078125 3.59
10996 118.086532592773 152523.0625 76.46
10997 125.355590820312 2952.05908203125 1.48
10998 127.08674621582 14919.6650390625 7.48
10999 129.065933227539 16939.873046875 8.49
11000 129.10237121582 7230.80224609375 3.62
11001 129.56950378418 3229.58862304688 1.62
11002 131.117965698242 30788.45703125 15.43
11003 133.050811767578 7192.8984375 3.61
11004 133.060806274414 179811.671875 90.14
11005 138.091247558594 16915.5078125 8.48
11006 143.117614746094 6017.39697265625 3.02
11007 154.09748840332 199481.4375 100
11008 154.110397338867 6653.892578125 3.34
11009 155.015762329102 4930.830078125 2.47
11010 155.081466674805 134560.96875 67.46
11011 155.117370605469 11757.0791015625 5.89
11012 157.133438110352 94024.890625 47.13
11013 172.10791015625 36266.9609375 18.18
11014 182.092483520508 98820.796875 49.54
11015 182.128387451172 56813.08203125 28.48
11016 183.076568603516 32172.50390625 16.13
11017 183.112655639648 61549.1640625 30.85
11018 185.128265380859 24880.546875 12.47
11019 186.087173461914 34429.53125 17.26
11020 187.071228027344 90435.7109375 45.34
11021 189.123641967773 17734.556640625 8.89
11022 200.103057861328 19847.759765625 9.95
11023 200.138961791992 14177.5244140625 7.11
11024 204.097778320312 75055.6953125 37.63
11025 208.096878051758 5119.6318359375 2.57
11026 210.124572753906 14695.6591796875 7.37
11027 225.123199462891 4797.7587890625 2.41
11028 245.35807800293 3679.95971679688 1.84
11029 299.171508789062 68947.8515625 34.56
11030
11031 RECORD_TITLE: MZ:317.1816 | RT:69.2 | grpid:407 | file:2
11032 MS$FOCUSED_ION: PRECURSOR_M/Z 317.181579589844
11033 AC$CHROMATOGRAPHY: RETENTION_TIME 69.154026
11034 XCMS groupid (grpid): 407
11035 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
11036 PK$NUM_PEAK: 31
11037 PK$PEAK: m/z int. rel.int.
11038 111.924682617188 2987.87060546875 3.08
11039 113.071136474609 3521.54345703125 3.63
11040 113.107749938965 4745.8115234375 4.89
11041 124.039489746094 95420.796875 98.42
11042 124.0751953125 5830.203125 6.01
11043 129.101776123047 3119.015625 3.22
11044 131.11848449707 4818.95849609375 4.97
11045 138.091110229492 6620.54248046875 6.83
11046 141.065505981445 5540.62353515625 5.71
11047 141.102127075195 18097.263671875 18.67
11048 141.112274169922 3000.49243164062 3.09
11049 143.118316650391 3364.10595703125 3.47
11050 145.060546875 39804.20703125 41.05
11051 155.11799621582 6513.82421875 6.72
11052 155.152099609375 3026.45239257812 3.12
11053 158.092193603516 6244.7109375 6.44
11054 169.060424804688 5067.861328125 5.23
11055 170.044631958008 96956.9140625 100
11056 178.415512084961 2798.56494140625 2.89
11057 183.112548828125 38242.24609375 39.44
11058 186.087158203125 13992.484375 14.43
11059 187.071395874023 86284.703125 88.99
11060 196.948913574219 2996.55834960938 3.09
11061 200.139266967773 18511.640625 19.09
11062 201.124221801758 4613.8994140625 4.76
11063 204.09782409668 78093.296875 80.54
11064 211.107757568359 18789.5859375 19.38
11065 228.134841918945 26519.537109375 27.35
11066 255.133773803711 6747.7666015625 6.96
11067 272.159423828125 10641.6845703125 10.98
11068 317.116455078125 4209.64306640625 4.34
11069
11070 RECORD_TITLE: MZ:317.1816 | RT:69.2 | grpid:407 | file:2
11071 MS$FOCUSED_ION: PRECURSOR_M/Z 317.181579589844
11072 AC$CHROMATOGRAPHY: RETENTION_TIME 69.154026
11073 XCMS groupid (grpid): 407
11074 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
11075 PK$NUM_PEAK: 31
11076 PK$PEAK: m/z int. rel.int.
11077 111.924682617188 2987.87060546875 3.08
11078 113.071136474609 3521.54345703125 3.63
11079 113.107749938965 4745.8115234375 4.89
11080 124.039489746094 95420.796875 98.42
11081 124.0751953125 5830.203125 6.01
11082 129.101776123047 3119.015625 3.22
11083 131.11848449707 4818.95849609375 4.97
11084 138.091110229492 6620.54248046875 6.83
11085 141.065505981445 5540.62353515625 5.71
11086 141.102127075195 18097.263671875 18.67
11087 141.112274169922 3000.49243164062 3.09
11088 143.118316650391 3364.10595703125 3.47
11089 145.060546875 39804.20703125 41.05
11090 155.11799621582 6513.82421875 6.72
11091 155.152099609375 3026.45239257812 3.12
11092 158.092193603516 6244.7109375 6.44
11093 169.060424804688 5067.861328125 5.23
11094 170.044631958008 96956.9140625 100
11095 178.415512084961 2798.56494140625 2.89
11096 183.112548828125 38242.24609375 39.44
11097 186.087158203125 13992.484375 14.43
11098 187.071395874023 86284.703125 88.99
11099 196.948913574219 2996.55834960938 3.09
11100 200.139266967773 18511.640625 19.09
11101 201.124221801758 4613.8994140625 4.76
11102 204.09782409668 78093.296875 80.54
11103 211.107757568359 18789.5859375 19.38
11104 228.134841918945 26519.537109375 27.35
11105 255.133773803711 6747.7666015625 6.96
11106 272.159423828125 10641.6845703125 10.98
11107 317.116455078125 4209.64306640625 4.34
11108
11109 RECORD_TITLE: MZ:320.1811 | RT:62.9 | grpid:415 | file:1
11110 MS$FOCUSED_ION: PRECURSOR_M/Z 320.181091308594
11111 AC$CHROMATOGRAPHY: RETENTION_TIME 62.924034
11112 XCMS groupid (grpid): 415
11113 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
11114 PK$NUM_PEAK: 30
11115 PK$PEAK: m/z int. rel.int.
11116 101.071365356445 281855.375 20.7
11117 101.206703186035 3570.3681640625 0.26
11118 102.055252075195 27374.044921875 2.01
11119 108.080657958984 4892.19140625 0.36
11120 110.096794128418 54158.46875 3.98
11121 110.366577148438 3414.05200195312 0.25
11122 112.076057434082 25181.931640625 1.85
11123 112.1123046875 27374.921875 2.01
11124 120.065795898438 58136.41796875 4.27
11125 122.827262878418 3484.9326171875 0.26
11126 128.107086181641 210197.671875 15.44
11127 129.102355957031 82072.0234375 6.03
11128 130.049896240234 16937.451171875 1.24
11129 138.091171264648 7357.27392578125 0.54
11130 142.122650146484 7350.7763671875 0.54
11131 155.117385864258 29359.177734375 2.16
11132 157.097015380859 3848.41821289062 0.28
11133 173.128433227539 1361521.5 100
11134 185.092910766602 3295.83618164062 0.24
11135 187.14387512207 13825.490234375 1.02
11136 189.085006713867 4207.75341796875 0.31
11137 196.677001953125 3836.27905273438 0.28
11138 201.123336791992 135561.265625 9.96
11139 201.141998291016 4870.205078125 0.36
11140 207.098205566406 13862.3974609375 1.02
11141 219.133499145508 21399.53125 1.57
11142 221.113983154297 5093.689453125 0.37
11143 241.118682861328 6213.60546875 0.46
11144 259.129089355469 6648.86767578125 0.49
11145 302.170257568359 15380.2099609375 1.13
11146
11147 RECORD_TITLE: MZ:320.1811 | RT:62.9 | grpid:415 | file:1
11148 MS$FOCUSED_ION: PRECURSOR_M/Z 320.181091308594
11149 AC$CHROMATOGRAPHY: RETENTION_TIME 62.924034
11150 XCMS groupid (grpid): 415
11151 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
11152 PK$NUM_PEAK: 30
11153 PK$PEAK: m/z int. rel.int.
11154 101.071365356445 281855.375 20.7
11155 101.206703186035 3570.3681640625 0.26
11156 102.055252075195 27374.044921875 2.01
11157 108.080657958984 4892.19140625 0.36
11158 110.096794128418 54158.46875 3.98
11159 110.366577148438 3414.05200195312 0.25
11160 112.076057434082 25181.931640625 1.85
11161 112.1123046875 27374.921875 2.01
11162 120.065795898438 58136.41796875 4.27
11163 122.827262878418 3484.9326171875 0.26
11164 128.107086181641 210197.671875 15.44
11165 129.102355957031 82072.0234375 6.03
11166 130.049896240234 16937.451171875 1.24
11167 138.091171264648 7357.27392578125 0.54
11168 142.122650146484 7350.7763671875 0.54
11169 155.117385864258 29359.177734375 2.16
11170 157.097015380859 3848.41821289062 0.28
11171 173.128433227539 1361521.5 100
11172 185.092910766602 3295.83618164062 0.24
11173 187.14387512207 13825.490234375 1.02
11174 189.085006713867 4207.75341796875 0.31
11175 196.677001953125 3836.27905273438 0.28
11176 201.123336791992 135561.265625 9.96
11177 201.141998291016 4870.205078125 0.36
11178 207.098205566406 13862.3974609375 1.02
11179 219.133499145508 21399.53125 1.57
11180 221.113983154297 5093.689453125 0.37
11181 241.118682861328 6213.60546875 0.46
11182 259.129089355469 6648.86767578125 0.49
11183 302.170257568359 15380.2099609375 1.13
11184
11185 RECORD_TITLE: MZ:320.181 | RT:62.9 | grpid:415 | file:1
11186 MS$FOCUSED_ION: PRECURSOR_M/Z 320.181030273438
11187 AC$CHROMATOGRAPHY: RETENTION_TIME 62.924034
11188 XCMS groupid (grpid): 415
11189 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
11190 PK$NUM_PEAK: 34
11191 PK$PEAK: m/z int. rel.int.
11192 101.071380615234 2992.677734375 1.5
11193 110.071418762207 3555.12036132812 1.78
11194 112.075950622559 47222.296875 23.68
11195 113.071319580078 5805.10498046875 2.91
11196 118.08650970459 23935.267578125 12
11197 130.086380004883 199416.578125 100
11198 140.070541381836 5268.96630859375 2.64
11199 141.065765380859 4294.599609375 2.15
11200 144.101974487305 3663.02099609375 1.84
11201 145.727447509766 2849.14697265625 1.43
11202 155.1181640625 6593.67626953125 3.31
11203 155.306137084961 2754.38598632812 1.38
11204 156.077651977539 3957.36669921875 1.98
11205 157.097442626953 49847.84375 25
11206 159.076278686523 6903.923828125 3.46
11207 165.269470214844 2941.64770507812 1.48
11208 173.128311157227 19430.81640625 9.74
11209 175.107727050781 91529.421875 45.9
11210 183.112777709961 4876.37744140625 2.45
11211 185.092224121094 16714.18359375 8.38
11212 201.123519897461 11626.5556640625 5.83
11213 203.102630615234 43762.265625 21.95
11214 206.069625854492 3313.53002929688 1.66
11215 212.083724975586 2866.78637695312 1.44
11216 219.133590698242 34031.0390625 17.07
11217 224.081085205078 4853.96435546875 2.43
11218 229.116897583008 2883.51318359375 1.45
11219 237.601058959961 2892.41748046875 1.45
11220 258.146148681641 25527.23828125 12.8
11221 263.309234619141 3296.20361328125 1.65
11222 304.179077148438 2929.642578125 1.47
11223 307.448608398438 2918.53735351562 1.46
11224 320.157135009766 5962.02001953125 2.99
11225 343.174377441406 4363.37353515625 2.19
11226
11227 RECORD_TITLE: MZ:320.181 | RT:62.9 | grpid:415 | file:1
11228 MS$FOCUSED_ION: PRECURSOR_M/Z 320.181030273438
11229 AC$CHROMATOGRAPHY: RETENTION_TIME 62.924034
11230 XCMS groupid (grpid): 415
11231 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
11232 PK$NUM_PEAK: 34
11233 PK$PEAK: m/z int. rel.int.
11234 101.071380615234 2992.677734375 1.5
11235 110.071418762207 3555.12036132812 1.78
11236 112.075950622559 47222.296875 23.68
11237 113.071319580078 5805.10498046875 2.91
11238 118.08650970459 23935.267578125 12
11239 130.086380004883 199416.578125 100
11240 140.070541381836 5268.96630859375 2.64
11241 141.065765380859 4294.599609375 2.15
11242 144.101974487305 3663.02099609375 1.84
11243 145.727447509766 2849.14697265625 1.43
11244 155.1181640625 6593.67626953125 3.31
11245 155.306137084961 2754.38598632812 1.38
11246 156.077651977539 3957.36669921875 1.98
11247 157.097442626953 49847.84375 25
11248 159.076278686523 6903.923828125 3.46
11249 165.269470214844 2941.64770507812 1.48
11250 173.128311157227 19430.81640625 9.74
11251 175.107727050781 91529.421875 45.9
11252 183.112777709961 4876.37744140625 2.45
11253 185.092224121094 16714.18359375 8.38
11254 201.123519897461 11626.5556640625 5.83
11255 203.102630615234 43762.265625 21.95
11256 206.069625854492 3313.53002929688 1.66
11257 212.083724975586 2866.78637695312 1.44
11258 219.133590698242 34031.0390625 17.07
11259 224.081085205078 4853.96435546875 2.43
11260 229.116897583008 2883.51318359375 1.45
11261 237.601058959961 2892.41748046875 1.45
11262 258.146148681641 25527.23828125 12.8
11263 263.309234619141 3296.20361328125 1.65
11264 304.179077148438 2929.642578125 1.47
11265 307.448608398438 2918.53735351562 1.46
11266 320.157135009766 5962.02001953125 2.99
11267 343.174377441406 4363.37353515625 2.19
11268
11269 RECORD_TITLE: MZ:320.1811 | RT:63.1 | grpid:415 | file:2
11270 MS$FOCUSED_ION: PRECURSOR_M/Z 320.181121826172
11271 AC$CHROMATOGRAPHY: RETENTION_TIME 63.078168
11272 XCMS groupid (grpid): 415
11273 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
11274 PK$NUM_PEAK: 32
11275 PK$PEAK: m/z int. rel.int.
11276 101.071395874023 307345.34375 20
11277 102.055290222168 22224.041015625 1.45
11278 108.081634521484 10953.9453125 0.71
11279 110.096832275391 50952.4140625 3.32
11280 112.07592010498 23934.275390625 1.56
11281 112.112701416016 25964.544921875 1.69
11282 112.67554473877 3376.37451171875 0.22
11283 120.065811157227 55594.7109375 3.62
11284 128.10710144043 230023.0625 14.97
11285 128.354934692383 3170.56494140625 0.21
11286 129.102340698242 105016.234375 6.83
11287 130.049789428711 14120.724609375 0.92
11288 138.090942382812 13147.5576171875 0.86
11289 142.122909545898 6801.337890625 0.44
11290 146.079727172852 3270.75537109375 0.21
11291 155.118057250977 32112.998046875 2.09
11292 156.100448608398 3721.38208007812 0.24
11293 157.096954345703 3435.56567382812 0.22
11294 173.128479003906 1536714.625 100
11295 185.091918945312 4123.60888671875 0.27
11296 185.871612548828 3396.39013671875 0.22
11297 187.072006225586 5646.04931640625 0.37
11298 187.14453125 13237.7275390625 0.86
11299 201.123306274414 163868.921875 10.66
11300 206.911346435547 3781.48364257812 0.25
11301 207.097763061523 12926.41796875 0.84
11302 219.133941650391 16841.45703125 1.1
11303 259.127563476562 6199.59521484375 0.4
11304 265.652374267578 3211.76806640625 0.21
11305 276.698638916016 3204.525390625 0.21
11306 279.226867675781 3227.61767578125 0.21
11307 302.171600341797 14686.783203125 0.96
11308
11309 RECORD_TITLE: MZ:320.1811 | RT:63.1 | grpid:415 | file:2
11310 MS$FOCUSED_ION: PRECURSOR_M/Z 320.181121826172
11311 AC$CHROMATOGRAPHY: RETENTION_TIME 63.078168
11312 XCMS groupid (grpid): 415
11313 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
11314 PK$NUM_PEAK: 32
11315 PK$PEAK: m/z int. rel.int.
11316 101.071395874023 307345.34375 20
11317 102.055290222168 22224.041015625 1.45
11318 108.081634521484 10953.9453125 0.71
11319 110.096832275391 50952.4140625 3.32
11320 112.07592010498 23934.275390625 1.56
11321 112.112701416016 25964.544921875 1.69
11322 112.67554473877 3376.37451171875 0.22
11323 120.065811157227 55594.7109375 3.62
11324 128.10710144043 230023.0625 14.97
11325 128.354934692383 3170.56494140625 0.21
11326 129.102340698242 105016.234375 6.83
11327 130.049789428711 14120.724609375 0.92
11328 138.090942382812 13147.5576171875 0.86
11329 142.122909545898 6801.337890625 0.44
11330 146.079727172852 3270.75537109375 0.21
11331 155.118057250977 32112.998046875 2.09
11332 156.100448608398 3721.38208007812 0.24
11333 157.096954345703 3435.56567382812 0.22
11334 173.128479003906 1536714.625 100
11335 185.091918945312 4123.60888671875 0.27
11336 185.871612548828 3396.39013671875 0.22
11337 187.072006225586 5646.04931640625 0.37
11338 187.14453125 13237.7275390625 0.86
11339 201.123306274414 163868.921875 10.66
11340 206.911346435547 3781.48364257812 0.25
11341 207.097763061523 12926.41796875 0.84
11342 219.133941650391 16841.45703125 1.1
11343 259.127563476562 6199.59521484375 0.4
11344 265.652374267578 3211.76806640625 0.21
11345 276.698638916016 3204.525390625 0.21
11346 279.226867675781 3227.61767578125 0.21
11347 302.171600341797 14686.783203125 0.96
11348
11349 RECORD_TITLE: MZ:320.1811 | RT:63.1 | grpid:415 | file:2
11350 MS$FOCUSED_ION: PRECURSOR_M/Z 320.181060791016
11351 AC$CHROMATOGRAPHY: RETENTION_TIME 63.078168
11352 XCMS groupid (grpid): 415
11353 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
11354 PK$NUM_PEAK: 30
11355 PK$PEAK: m/z int. rel.int.
11356 100.63224029541 2963.869140625 1.38
11357 101.071441650391 4505.61083984375 2.09
11358 110.07160949707 5812.294921875 2.7
11359 112.076026916504 43871.58984375 20.38
11360 113.071075439453 3899.54760742188 1.81
11361 118.086494445801 18225.576171875 8.47
11362 130.050338745117 4319.12646484375 2.01
11363 130.086288452148 215253.265625 100
11364 131.081161499023 3706.05786132812 1.72
11365 136.075912475586 3415.15625 1.59
11366 141.066040039062 5142.6689453125 2.39
11367 144.102233886719 3282.51245117188 1.52
11368 155.116928100586 3101.03540039062 1.44
11369 156.076416015625 4794.39697265625 2.23
11370 157.097061157227 46115.6640625 21.42
11371 159.07682800293 12444.0556640625 5.78
11372 169.59992980957 2906.36572265625 1.35
11373 171.077926635742 3279.56762695312 1.52
11374 173.128280639648 27942.880859375 12.98
11375 175.107559204102 105894.828125 49.2
11376 183.112289428711 5501.28271484375 2.56
11377 185.092300415039 11217.31640625 5.21
11378 185.542449951172 2855.73461914062 1.33
11379 201.123809814453 16164.91015625 7.51
11380 203.103271484375 37406.94921875 17.38
11381 219.134399414062 39073.5 18.15
11382 224.080871582031 4288.7607421875 1.99
11383 258.145782470703 27850.513671875 12.94
11384 291.824340820312 2872.27758789062 1.33
11385 342.055236816406 3642.53344726562 1.69
11386
11387 RECORD_TITLE: MZ:320.1811 | RT:63.1 | grpid:415 | file:2
11388 MS$FOCUSED_ION: PRECURSOR_M/Z 320.181060791016
11389 AC$CHROMATOGRAPHY: RETENTION_TIME 63.078168
11390 XCMS groupid (grpid): 415
11391 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
11392 PK$NUM_PEAK: 30
11393 PK$PEAK: m/z int. rel.int.
11394 100.63224029541 2963.869140625 1.38
11395 101.071441650391 4505.61083984375 2.09
11396 110.07160949707 5812.294921875 2.7
11397 112.076026916504 43871.58984375 20.38
11398 113.071075439453 3899.54760742188 1.81
11399 118.086494445801 18225.576171875 8.47
11400 130.050338745117 4319.12646484375 2.01
11401 130.086288452148 215253.265625 100
11402 131.081161499023 3706.05786132812 1.72
11403 136.075912475586 3415.15625 1.59
11404 141.066040039062 5142.6689453125 2.39
11405 144.102233886719 3282.51245117188 1.52
11406 155.116928100586 3101.03540039062 1.44
11407 156.076416015625 4794.39697265625 2.23
11408 157.097061157227 46115.6640625 21.42
11409 159.07682800293 12444.0556640625 5.78
11410 169.59992980957 2906.36572265625 1.35
11411 171.077926635742 3279.56762695312 1.52
11412 173.128280639648 27942.880859375 12.98
11413 175.107559204102 105894.828125 49.2
11414 183.112289428711 5501.28271484375 2.56
11415 185.092300415039 11217.31640625 5.21
11416 185.542449951172 2855.73461914062 1.33
11417 201.123809814453 16164.91015625 7.51
11418 203.103271484375 37406.94921875 17.38
11419 219.134399414062 39073.5 18.15
11420 224.080871582031 4288.7607421875 1.99
11421 258.145782470703 27850.513671875 12.94
11422 291.824340820312 2872.27758789062 1.33
11423 342.055236816406 3642.53344726562 1.69
11424
11425 RECORD_TITLE: MZ:323.0384 | RT:83.4 | grpid:423 | file:1
11426 MS$FOCUSED_ION: PRECURSOR_M/Z 323.038360595703
11427 AC$CHROMATOGRAPHY: RETENTION_TIME 83.441172
11428 XCMS groupid (grpid): 423
11429 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
11430 PK$NUM_PEAK: 4
11431 PK$PEAK: m/z int. rel.int.
11432 129.365707397461 3141.83325195312 52.63
11433 155.72932434082 2785.9228515625 46.67
11434 190.997634887695 3309.103515625 55.44
11435 323.039398193359 5969.2158203125 100
11436
11437 RECORD_TITLE: MZ:323.0384 | RT:83.4 | grpid:423 | file:1
11438 MS$FOCUSED_ION: PRECURSOR_M/Z 323.038360595703
11439 AC$CHROMATOGRAPHY: RETENTION_TIME 83.441172
11440 XCMS groupid (grpid): 423
11441 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
11442 PK$NUM_PEAK: 4
11443 PK$PEAK: m/z int. rel.int.
11444 129.365707397461 3141.83325195312 52.63
11445 155.72932434082 2785.9228515625 46.67
11446 190.997634887695 3309.103515625 55.44
11447 323.039398193359 5969.2158203125 100
11448
11449 RECORD_TITLE: MZ:323.0384 | RT:84.4 | grpid:423 | file:2
11450 MS$FOCUSED_ION: PRECURSOR_M/Z 323.038360595703
11451 AC$CHROMATOGRAPHY: RETENTION_TIME 84.41529
11452 XCMS groupid (grpid): 423
11453 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
11454 PK$NUM_PEAK: 7
11455 PK$PEAK: m/z int. rel.int.
11456 128.50553894043 3386.35693359375 25.58
11457 153.065856933594 2935.0458984375 22.17
11458 179.621505737305 2628.43286132812 19.86
11459 190.996322631836 6637.37841796875 50.14
11460 256.982543945312 3841.45336914062 29.02
11461 323.039276123047 13236.58203125 100
11462 344.520050048828 3327.75537109375 25.14
11463
11464 RECORD_TITLE: MZ:323.0384 | RT:84.4 | grpid:423 | file:2
11465 MS$FOCUSED_ION: PRECURSOR_M/Z 323.038360595703
11466 AC$CHROMATOGRAPHY: RETENTION_TIME 84.41529
11467 XCMS groupid (grpid): 423
11468 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
11469 PK$NUM_PEAK: 7
11470 PK$PEAK: m/z int. rel.int.
11471 128.50553894043 3386.35693359375 25.58
11472 153.065856933594 2935.0458984375 22.17
11473 179.621505737305 2628.43286132812 19.86
11474 190.996322631836 6637.37841796875 50.14
11475 256.982543945312 3841.45336914062 29.02
11476 323.039276123047 13236.58203125 100
11477 344.520050048828 3327.75537109375 25.14
11478
11479 RECORD_TITLE: MZ:323.0383 | RT:84.4 | grpid:423 | file:2
11480 MS$FOCUSED_ION: PRECURSOR_M/Z 323.038269042969
11481 AC$CHROMATOGRAPHY: RETENTION_TIME 84.41529
11482 XCMS groupid (grpid): 423
11483 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
11484 PK$NUM_PEAK: 9
11485 PK$PEAK: m/z int. rel.int.
11486 106.13370513916 3051.279296875 57.74
11487 137.635299682617 2781.98217773438 52.65
11488 144.017776489258 2624.34545898438 49.66
11489 174.750671386719 2664.54467773438 50.42
11490 211.282440185547 2709.78198242188 51.28
11491 212.091339111328 2775.75756835938 52.53
11492 222.567947387695 2769.4775390625 52.41
11493 305.012542724609 5284.28857421875 100
11494 348.558624267578 3066.99365234375 58.04
11495
11496 RECORD_TITLE: MZ:323.0383 | RT:84.4 | grpid:423 | file:2
11497 MS$FOCUSED_ION: PRECURSOR_M/Z 323.038269042969
11498 AC$CHROMATOGRAPHY: RETENTION_TIME 84.41529
11499 XCMS groupid (grpid): 423
11500 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
11501 PK$NUM_PEAK: 9
11502 PK$PEAK: m/z int. rel.int.
11503 106.13370513916 3051.279296875 57.74
11504 137.635299682617 2781.98217773438 52.65
11505 144.017776489258 2624.34545898438 49.66
11506 174.750671386719 2664.54467773438 50.42
11507 211.282440185547 2709.78198242188 51.28
11508 212.091339111328 2775.75756835938 52.53
11509 222.567947387695 2769.4775390625 52.41
11510 305.012542724609 5284.28857421875 100
11511 348.558624267578 3066.99365234375 58.04
11512
11513 RECORD_TITLE: MZ:326.1472 | RT:97.7 | grpid:429 | file:2
11514 MS$FOCUSED_ION: PRECURSOR_M/Z 326.147247314453
11515 AC$CHROMATOGRAPHY: RETENTION_TIME 97.724058
11516 XCMS groupid (grpid): 429
11517 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
11518 PK$NUM_PEAK: 8
11519 PK$PEAK: m/z int. rel.int.
11520 110.071594238281 18136.025390625 100
11521 111.771446228027 2785.8037109375 15.36
11522 117.990272521973 2784.25244140625 15.35
11523 156.076690673828 14272.5439453125 78.7
11524 165.825180053711 2898.11499023438 15.98
11525 202.852157592773 3820.03295898438 21.06
11526 255.132080078125 4374.06005859375 24.12
11527 309.125244140625 6484.82861328125 35.76
11528
11529 RECORD_TITLE: MZ:326.1472 | RT:97.7 | grpid:429 | file:2
11530 MS$FOCUSED_ION: PRECURSOR_M/Z 326.147247314453
11531 AC$CHROMATOGRAPHY: RETENTION_TIME 97.724058
11532 XCMS groupid (grpid): 429
11533 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
11534 PK$NUM_PEAK: 8
11535 PK$PEAK: m/z int. rel.int.
11536 110.071594238281 18136.025390625 100
11537 111.771446228027 2785.8037109375 15.36
11538 117.990272521973 2784.25244140625 15.35
11539 156.076690673828 14272.5439453125 78.7
11540 165.825180053711 2898.11499023438 15.98
11541 202.852157592773 3820.03295898438 21.06
11542 255.132080078125 4374.06005859375 24.12
11543 309.125244140625 6484.82861328125 35.76
11544
11545 RECORD_TITLE: MZ:332.1812 | RT:65.9 | grpid:443 | file:1
11546 MS$FOCUSED_ION: PRECURSOR_M/Z 332.181243896484
11547 AC$CHROMATOGRAPHY: RETENTION_TIME 65.949288
11548 XCMS groupid (grpid): 443
11549 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
11550 PK$NUM_PEAK: 18
11551 PK$PEAK: m/z int. rel.int.
11552 100.559684753418 3718.64868164062 2.77
11553 102.05542755127 26123.17578125 19.49
11554 116.071006774902 13162.55859375 9.82
11555 120.065765380859 12087.9765625 9.02
11556 130.049896240234 28237.330078125 21.07
11557 148.060409545898 99050.71875 73.9
11558 157.133590698242 88280.25 65.86
11559 171.149139404297 134042.515625 100
11560 185.0927734375 6317.00146484375 4.71
11561 185.128753662109 28217.166015625 21.05
11562 199.144180297852 18616.892578125 13.89
11563 201.087066650391 3843.51318359375 2.87
11564 203.150253295898 18795.044921875 14.02
11565 215.818923950195 3423.68896484375 2.55
11566 219.097274780273 66659.25 49.73
11567 233.113525390625 19939.693359375 14.88
11568 316.752319335938 3677.53686523438 2.74
11569 332.191650390625 6762.85791015625 5.05
11570
11571 RECORD_TITLE: MZ:332.1812 | RT:65.9 | grpid:443 | file:1
11572 MS$FOCUSED_ION: PRECURSOR_M/Z 332.181243896484
11573 AC$CHROMATOGRAPHY: RETENTION_TIME 65.949288
11574 XCMS groupid (grpid): 443
11575 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
11576 PK$NUM_PEAK: 18
11577 PK$PEAK: m/z int. rel.int.
11578 100.559684753418 3718.64868164062 2.77
11579 102.05542755127 26123.17578125 19.49
11580 116.071006774902 13162.55859375 9.82
11581 120.065765380859 12087.9765625 9.02
11582 130.049896240234 28237.330078125 21.07
11583 148.060409545898 99050.71875 73.9
11584 157.133590698242 88280.25 65.86
11585 171.149139404297 134042.515625 100
11586 185.0927734375 6317.00146484375 4.71
11587 185.128753662109 28217.166015625 21.05
11588 199.144180297852 18616.892578125 13.89
11589 201.087066650391 3843.51318359375 2.87
11590 203.150253295898 18795.044921875 14.02
11591 215.818923950195 3423.68896484375 2.55
11592 219.097274780273 66659.25 49.73
11593 233.113525390625 19939.693359375 14.88
11594 316.752319335938 3677.53686523438 2.74
11595 332.191650390625 6762.85791015625 5.05
11596
11597 RECORD_TITLE: MZ:332.1811 | RT:65.9 | grpid:443 | file:1
11598 MS$FOCUSED_ION: PRECURSOR_M/Z 332.181060791016
11599 AC$CHROMATOGRAPHY: RETENTION_TIME 65.949288
11600 XCMS groupid (grpid): 443
11601 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
11602 PK$NUM_PEAK: 15
11603 PK$PEAK: m/z int. rel.int.
11604 102.05541229248 52506.98828125 44.84
11605 109.076324462891 6153.2685546875 5.26
11606 136.087371826172 3486.95043945312 2.98
11607 148.061279296875 4741.111328125 4.05
11608 155.081741333008 19205.33984375 16.4
11609 157.1337890625 15019.685546875 12.83
11610 169.058395385742 5759.0107421875 4.92
11611 183.07649230957 3817.49682617188 3.26
11612 201.0869140625 117091.9296875 100
11613 201.104263305664 6399.53955078125 5.47
11614 204.113250732422 3334.80444335938 2.85
11615 215.138977050781 87088.8203125 74.38
11616 219.097640991211 11436.181640625 9.77
11617 243.134414672852 26365.50390625 22.52
11618 318.824340820312 3342.03344726562 2.85
11619
11620 RECORD_TITLE: MZ:332.1811 | RT:65.9 | grpid:443 | file:1
11621 MS$FOCUSED_ION: PRECURSOR_M/Z 332.181060791016
11622 AC$CHROMATOGRAPHY: RETENTION_TIME 65.949288
11623 XCMS groupid (grpid): 443
11624 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
11625 PK$NUM_PEAK: 15
11626 PK$PEAK: m/z int. rel.int.
11627 102.05541229248 52506.98828125 44.84
11628 109.076324462891 6153.2685546875 5.26
11629 136.087371826172 3486.95043945312 2.98
11630 148.061279296875 4741.111328125 4.05
11631 155.081741333008 19205.33984375 16.4
11632 157.1337890625 15019.685546875 12.83
11633 169.058395385742 5759.0107421875 4.92
11634 183.07649230957 3817.49682617188 3.26
11635 201.0869140625 117091.9296875 100
11636 201.104263305664 6399.53955078125 5.47
11637 204.113250732422 3334.80444335938 2.85
11638 215.138977050781 87088.8203125 74.38
11639 219.097640991211 11436.181640625 9.77
11640 243.134414672852 26365.50390625 22.52
11641 318.824340820312 3342.03344726562 2.85
11642
11643 RECORD_TITLE: MZ:332.181 | RT:65.9 | grpid:443 | file:1
11644 MS$FOCUSED_ION: PRECURSOR_M/Z 332.181030273438
11645 AC$CHROMATOGRAPHY: RETENTION_TIME 65.949288
11646 XCMS groupid (grpid): 443
11647 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
11648 PK$NUM_PEAK: 21
11649 PK$PEAK: m/z int. rel.int.
11650 102.055519104004 6797.51953125 6.65
11651 102.420440673828 2608.35546875 2.55
11652 109.076461791992 2799.908203125 2.74
11653 118.086524963379 44938 43.93
11654 127.08683013916 16526.87890625 16.16
11655 129.065704345703 13359.6865234375 13.06
11656 142.086181640625 12904.6171875 12.62
11657 143.117889404297 4039.60693359375 3.95
11658 148.836090087891 2871.474609375 2.81
11659 152.070220947266 19868.1640625 19.42
11660 169.097213745117 55278.6171875 54.04
11661 173.092239379883 6543.8251953125 6.4
11662 187.10758972168 102290.8046875 100
11663 194.981781005859 3355.03881835938 3.28
11664 197.128479003906 28704.4921875 28.06
11665 198.076065063477 21773.828125 21.29
11666 215.102691650391 51711.16015625 50.55
11667 215.137771606445 21268.103515625 20.79
11668 233.112884521484 66269.2890625 64.79
11669 259.901397705078 3126.96142578125 3.06
11670 265.669219970703 3109.36840820312 3.04
11671
11672 RECORD_TITLE: MZ:332.181 | RT:65.9 | grpid:443 | file:1
11673 MS$FOCUSED_ION: PRECURSOR_M/Z 332.181030273438
11674 AC$CHROMATOGRAPHY: RETENTION_TIME 65.949288
11675 XCMS groupid (grpid): 443
11676 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
11677 PK$NUM_PEAK: 21
11678 PK$PEAK: m/z int. rel.int.
11679 102.055519104004 6797.51953125 6.65
11680 102.420440673828 2608.35546875 2.55
11681 109.076461791992 2799.908203125 2.74
11682 118.086524963379 44938 43.93
11683 127.08683013916 16526.87890625 16.16
11684 129.065704345703 13359.6865234375 13.06
11685 142.086181640625 12904.6171875 12.62
11686 143.117889404297 4039.60693359375 3.95
11687 148.836090087891 2871.474609375 2.81
11688 152.070220947266 19868.1640625 19.42
11689 169.097213745117 55278.6171875 54.04
11690 173.092239379883 6543.8251953125 6.4
11691 187.10758972168 102290.8046875 100
11692 194.981781005859 3355.03881835938 3.28
11693 197.128479003906 28704.4921875 28.06
11694 198.076065063477 21773.828125 21.29
11695 215.102691650391 51711.16015625 50.55
11696 215.137771606445 21268.103515625 20.79
11697 233.112884521484 66269.2890625 64.79
11698 259.901397705078 3126.96142578125 3.06
11699 265.669219970703 3109.36840820312 3.04
11700
11701 RECORD_TITLE: MZ:332.1002 | RT:127.7 | grpid:443 | file:1
11702 MS$FOCUSED_ION: PRECURSOR_M/Z 332.100189208984
11703 AC$CHROMATOGRAPHY: RETENTION_TIME 127.720194
11704 XCMS groupid (grpid): 443
11705 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
11706 PK$NUM_PEAK: 5
11707 PK$PEAK: m/z int. rel.int.
11708 124.921501159668 2787.30419921875 82.57
11709 130.83171081543 2762.00854492188 81.83
11710 136.59423828125 2854.00708007812 84.55
11711 145.657409667969 2890.59912109375 85.63
11712 215.693115234375 3375.4921875 100
11713
11714 RECORD_TITLE: MZ:332.1002 | RT:127.7 | grpid:443 | file:1
11715 MS$FOCUSED_ION: PRECURSOR_M/Z 332.100189208984
11716 AC$CHROMATOGRAPHY: RETENTION_TIME 127.720194
11717 XCMS groupid (grpid): 443
11718 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
11719 PK$NUM_PEAK: 5
11720 PK$PEAK: m/z int. rel.int.
11721 124.921501159668 2787.30419921875 82.57
11722 130.83171081543 2762.00854492188 81.83
11723 136.59423828125 2854.00708007812 84.55
11724 145.657409667969 2890.59912109375 85.63
11725 215.693115234375 3375.4921875 100
11726
11727 RECORD_TITLE: MZ:332.1812 | RT:66.1 | grpid:443 | file:2
11728 MS$FOCUSED_ION: PRECURSOR_M/Z 332.181213378906
11729 AC$CHROMATOGRAPHY: RETENTION_TIME 66.147648
11730 XCMS groupid (grpid): 443
11731 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
11732 PK$NUM_PEAK: 21
11733 PK$PEAK: m/z int. rel.int.
11734 102.055389404297 43917.640625 27.43
11735 116.071266174316 3441.60864257812 2.15
11736 120.066108703613 6721.34130859375 4.2
11737 130.049896240234 44563.1484375 27.84
11738 140.071151733398 4148.013671875 2.59
11739 140.829498291016 3129.73681640625 1.96
11740 148.060455322266 145551.5625 90.92
11741 157.133605957031 146843.640625 91.73
11742 157.146484375 5521.52978515625 3.45
11743 171.14924621582 160079.421875 100
11744 184.060195922852 4940.064453125 3.09
11745 185.09196472168 5715.46435546875 3.57
11746 185.128387451172 36109.0546875 22.56
11747 199.144058227539 17213.208984375 10.75
11748 201.087432861328 12005.2353515625 7.5
11749 203.150924682617 6211.09521484375 3.88
11750 219.097793579102 77444.078125 48.38
11751 227.102386474609 3936.34204101562 2.46
11752 233.113830566406 20265.533203125 12.66
11753 298.115844726562 3825.31762695312 2.39
11754 332.199829101562 3429.04418945312 2.14
11755
11756 RECORD_TITLE: MZ:332.1812 | RT:66.1 | grpid:443 | file:2
11757 MS$FOCUSED_ION: PRECURSOR_M/Z 332.181213378906
11758 AC$CHROMATOGRAPHY: RETENTION_TIME 66.147648
11759 XCMS groupid (grpid): 443
11760 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
11761 PK$NUM_PEAK: 21
11762 PK$PEAK: m/z int. rel.int.
11763 102.055389404297 43917.640625 27.43
11764 116.071266174316 3441.60864257812 2.15
11765 120.066108703613 6721.34130859375 4.2
11766 130.049896240234 44563.1484375 27.84
11767 140.071151733398 4148.013671875 2.59
11768 140.829498291016 3129.73681640625 1.96
11769 148.060455322266 145551.5625 90.92
11770 157.133605957031 146843.640625 91.73
11771 157.146484375 5521.52978515625 3.45
11772 171.14924621582 160079.421875 100
11773 184.060195922852 4940.064453125 3.09
11774 185.09196472168 5715.46435546875 3.57
11775 185.128387451172 36109.0546875 22.56
11776 199.144058227539 17213.208984375 10.75
11777 201.087432861328 12005.2353515625 7.5
11778 203.150924682617 6211.09521484375 3.88
11779 219.097793579102 77444.078125 48.38
11780 227.102386474609 3936.34204101562 2.46
11781 233.113830566406 20265.533203125 12.66
11782 298.115844726562 3825.31762695312 2.39
11783 332.199829101562 3429.04418945312 2.14
11784
11785 RECORD_TITLE: MZ:332.1811 | RT:66.1 | grpid:443 | file:2
11786 MS$FOCUSED_ION: PRECURSOR_M/Z 332.181121826172
11787 AC$CHROMATOGRAPHY: RETENTION_TIME 66.147648
11788 XCMS groupid (grpid): 443
11789 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
11790 PK$NUM_PEAK: 27
11791 PK$PEAK: m/z int. rel.int.
11792 102.055480957031 11927.3154296875 9.12
11793 105.358688354492 2841.67114257812 2.17
11794 109.076042175293 3352.17016601562 2.56
11795 109.422027587891 2987.10595703125 2.28
11796 118.086517333984 51992.14453125 39.76
11797 124.075668334961 4488.03173828125 3.43
11798 127.086639404297 20077.3359375 15.35
11799 129.066329956055 18427.6796875 14.09
11800 130.049621582031 3793.5986328125 2.9
11801 135.495620727539 3620.70703125 2.77
11802 142.086608886719 12002.59765625 9.18
11803 143.117889404297 12222.8271484375 9.35
11804 152.070755004883 19160.861328125 14.65
11805 155.081619262695 3889.33154296875 2.97
11806 157.133712768555 5972.533203125 4.57
11807 169.097152709961 60246.09765625 46.08
11808 173.091720581055 13068.966796875 9.99
11809 174.117126464844 3465.36962890625 2.65
11810 187.107635498047 130756.265625 100
11811 197.128967285156 38092.42578125 29.13
11812 198.07633972168 20238.03515625 15.48
11813 211.571395874023 3015.64916992188 2.31
11814 215.10237121582 65438.9921875 50.05
11815 215.138122558594 29687.029296875 22.7
11816 233.113311767578 68994.71875 52.77
11817 316.371520996094 3379.04663085938 2.58
11818 347.046173095703 3459.23193359375 2.65
11819
11820 RECORD_TITLE: MZ:332.1811 | RT:66.1 | grpid:443 | file:2
11821 MS$FOCUSED_ION: PRECURSOR_M/Z 332.181121826172
11822 AC$CHROMATOGRAPHY: RETENTION_TIME 66.147648
11823 XCMS groupid (grpid): 443
11824 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
11825 PK$NUM_PEAK: 27
11826 PK$PEAK: m/z int. rel.int.
11827 102.055480957031 11927.3154296875 9.12
11828 105.358688354492 2841.67114257812 2.17
11829 109.076042175293 3352.17016601562 2.56
11830 109.422027587891 2987.10595703125 2.28
11831 118.086517333984 51992.14453125 39.76
11832 124.075668334961 4488.03173828125 3.43
11833 127.086639404297 20077.3359375 15.35
11834 129.066329956055 18427.6796875 14.09
11835 130.049621582031 3793.5986328125 2.9
11836 135.495620727539 3620.70703125 2.77
11837 142.086608886719 12002.59765625 9.18
11838 143.117889404297 12222.8271484375 9.35
11839 152.070755004883 19160.861328125 14.65
11840 155.081619262695 3889.33154296875 2.97
11841 157.133712768555 5972.533203125 4.57
11842 169.097152709961 60246.09765625 46.08
11843 173.091720581055 13068.966796875 9.99
11844 174.117126464844 3465.36962890625 2.65
11845 187.107635498047 130756.265625 100
11846 197.128967285156 38092.42578125 29.13
11847 198.07633972168 20238.03515625 15.48
11848 211.571395874023 3015.64916992188 2.31
11849 215.10237121582 65438.9921875 50.05
11850 215.138122558594 29687.029296875 22.7
11851 233.113311767578 68994.71875 52.77
11852 316.371520996094 3379.04663085938 2.58
11853 347.046173095703 3459.23193359375 2.65
11854
11855 RECORD_TITLE: MZ:332.1003 | RT:128 | grpid:443 | file:2
11856 MS$FOCUSED_ION: PRECURSOR_M/Z 332.100311279297
11857 AC$CHROMATOGRAPHY: RETENTION_TIME 127.98057
11858 XCMS groupid (grpid): 443
11859 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
11860 PK$NUM_PEAK: 6
11861 PK$PEAK: m/z int. rel.int.
11862 107.337799072266 3200.95288085938 100
11863 121.272087097168 2818.72631835938 88.06
11864 140.474029541016 2970.421875 92.8
11865 180.650238037109 3080.52490234375 96.24
11866 262.043762207031 2794.6884765625 87.31
11867 353.14501953125 3135.12060546875 97.94
11868
11869 RECORD_TITLE: MZ:332.1003 | RT:128 | grpid:443 | file:2
11870 MS$FOCUSED_ION: PRECURSOR_M/Z 332.100311279297
11871 AC$CHROMATOGRAPHY: RETENTION_TIME 127.98057
11872 XCMS groupid (grpid): 443
11873 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
11874 PK$NUM_PEAK: 6
11875 PK$PEAK: m/z int. rel.int.
11876 107.337799072266 3200.95288085938 100
11877 121.272087097168 2818.72631835938 88.06
11878 140.474029541016 2970.421875 92.8
11879 180.650238037109 3080.52490234375 96.24
11880 262.043762207031 2794.6884765625 87.31
11881 353.14501953125 3135.12060546875 97.94
11882
11883 RECORD_TITLE: MZ:334.1393 | RT:121.6 | grpid:450 | file:1
11884 MS$FOCUSED_ION: PRECURSOR_M/Z 334.139282226562
11885 AC$CHROMATOGRAPHY: RETENTION_TIME 121.56708
11886 XCMS groupid (grpid): 450
11887 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
11888 PK$NUM_PEAK: 30
11889 PK$PEAK: m/z int. rel.int.
11890 102.055374145508 34924.125 6.12
11891 115.054656982422 6235.50390625 1.09
11892 117.057525634766 7535.74072265625 1.32
11893 117.070014953613 3981.421875 0.7
11894 118.06526184082 3313.49340820312 0.58
11895 130.050109863281 5298.71533203125 0.93
11896 130.065170288086 154406.5 27.04
11897 132.08088684082 241756.265625 42.34
11898 132.654556274414 3404.462890625 0.6
11899 142.065338134766 21583.1640625 3.78
11900 144.080795288086 226135.8125 39.61
11901 146.03205871582 3363.439453125 0.59
11902 148.061050415039 5300.45068359375 0.93
11903 159.091644287109 570973.625 100
11904 160.075546264648 34526.1875 6.05
11905 170.059982299805 211147.203125 36.98
11906 172.07551574707 4901.2236328125 0.86
11907 182.887130737305 3075.35620117188 0.54
11908 185.055389404297 3717.88793945312 0.65
11909 187.143936157227 3376.67846679688 0.59
11910 188.070907592773 6617.0166015625 1.16
11911 194.829803466797 3063.95654296875 0.54
11912 200.221343994141 3180.76538085938 0.56
11913 271.107147216797 3924.17333984375 0.69
11914 290.107299804688 6318.23876953125 1.11
11915 292.225799560547 2910.02954101562 0.51
11916 299.102294921875 15727.2548828125 2.75
11917 317.113159179688 89027.9609375 15.59
11918 326.211242675781 3113.96240234375 0.55
11919 347.064605712891 3606.46557617188 0.63
11920
11921 RECORD_TITLE: MZ:334.1393 | RT:121.6 | grpid:450 | file:1
11922 MS$FOCUSED_ION: PRECURSOR_M/Z 334.139282226562
11923 AC$CHROMATOGRAPHY: RETENTION_TIME 121.56708
11924 XCMS groupid (grpid): 450
11925 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
11926 PK$NUM_PEAK: 30
11927 PK$PEAK: m/z int. rel.int.
11928 102.055374145508 34924.125 6.12
11929 115.054656982422 6235.50390625 1.09
11930 117.057525634766 7535.74072265625 1.32
11931 117.070014953613 3981.421875 0.7
11932 118.06526184082 3313.49340820312 0.58
11933 130.050109863281 5298.71533203125 0.93
11934 130.065170288086 154406.5 27.04
11935 132.08088684082 241756.265625 42.34
11936 132.654556274414 3404.462890625 0.6
11937 142.065338134766 21583.1640625 3.78
11938 144.080795288086 226135.8125 39.61
11939 146.03205871582 3363.439453125 0.59
11940 148.061050415039 5300.45068359375 0.93
11941 159.091644287109 570973.625 100
11942 160.075546264648 34526.1875 6.05
11943 170.059982299805 211147.203125 36.98
11944 172.07551574707 4901.2236328125 0.86
11945 182.887130737305 3075.35620117188 0.54
11946 185.055389404297 3717.88793945312 0.65
11947 187.143936157227 3376.67846679688 0.59
11948 188.070907592773 6617.0166015625 1.16
11949 194.829803466797 3063.95654296875 0.54
11950 200.221343994141 3180.76538085938 0.56
11951 271.107147216797 3924.17333984375 0.69
11952 290.107299804688 6318.23876953125 1.11
11953 292.225799560547 2910.02954101562 0.51
11954 299.102294921875 15727.2548828125 2.75
11955 317.113159179688 89027.9609375 15.59
11956 326.211242675781 3113.96240234375 0.55
11957 347.064605712891 3606.46557617188 0.63
11958
11959 RECORD_TITLE: MZ:334.1393 | RT:121.6 | grpid:450 | file:1
11960 MS$FOCUSED_ION: PRECURSOR_M/Z 334.139251708984
11961 AC$CHROMATOGRAPHY: RETENTION_TIME 121.56708
11962 XCMS groupid (grpid): 450
11963 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
11964 PK$NUM_PEAK: 13
11965 PK$PEAK: m/z int. rel.int.
11966 105.638916015625 2670.29809570312 18.95
11967 130.162689208984 3056.7685546875 21.69
11968 132.071838378906 3012.13842773438 21.38
11969 132.081344604492 6932.2431640625 49.2
11970 144.081237792969 3206.34838867188 22.76
11971 159.091720581055 14090.1435546875 100
11972 160.095016479492 10559.4853515625 74.94
11973 161.097595214844 4805.8994140625 34.11
11974 170.158843994141 3004.7626953125 21.33
11975 237.655975341797 2828.33325195312 20.07
11976 278.594848632812 3003.77319335938 21.32
11977 319.119873046875 3982.1943359375 28.26
11978 341.972106933594 3192.58032226562 22.66
11979
11980 RECORD_TITLE: MZ:334.1393 | RT:121.6 | grpid:450 | file:1
11981 MS$FOCUSED_ION: PRECURSOR_M/Z 334.139251708984
11982 AC$CHROMATOGRAPHY: RETENTION_TIME 121.56708
11983 XCMS groupid (grpid): 450
11984 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
11985 PK$NUM_PEAK: 13
11986 PK$PEAK: m/z int. rel.int.
11987 105.638916015625 2670.29809570312 18.95
11988 130.162689208984 3056.7685546875 21.69
11989 132.071838378906 3012.13842773438 21.38
11990 132.081344604492 6932.2431640625 49.2
11991 144.081237792969 3206.34838867188 22.76
11992 159.091720581055 14090.1435546875 100
11993 160.095016479492 10559.4853515625 74.94
11994 161.097595214844 4805.8994140625 34.11
11995 170.158843994141 3004.7626953125 21.33
11996 237.655975341797 2828.33325195312 20.07
11997 278.594848632812 3003.77319335938 21.32
11998 319.119873046875 3982.1943359375 28.26
11999 341.972106933594 3192.58032226562 22.66
12000
12001 RECORD_TITLE: MZ:334.1393 | RT:121.8 | grpid:450 | file:2
12002 MS$FOCUSED_ION: PRECURSOR_M/Z 334.139343261719
12003 AC$CHROMATOGRAPHY: RETENTION_TIME 121.840812
12004 XCMS groupid (grpid): 450
12005 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
12006 PK$NUM_PEAK: 25
12007 PK$PEAK: m/z int. rel.int.
12008 102.039459228516 3126.5771484375 0.87
12009 102.05541229248 22925.572265625 6.37
12010 115.054595947266 4878.6552734375 1.36
12011 117.05744934082 4621.91650390625 1.28
12012 130.050003051758 4437.884765625 1.23
12013 130.065124511719 96286.6640625 26.76
12014 132.080841064453 156089.21875 43.37
12015 142.065338134766 25176.822265625 7
12016 142.121871948242 2997.10668945312 0.83
12017 144.08073425293 147070.765625 40.87
12018 156.029846191406 3091.78295898438 0.86
12019 159.091674804688 359873.875 100
12020 160.075439453125 19693.373046875 5.47
12021 170.059936523438 126897.40625 35.26
12022 175.081741333008 3287.94970703125 0.91
12023 185.056060791016 4413.828125 1.23
12024 187.143753051758 3404.30590820312 0.95
12025 188.07096862793 4698.71533203125 1.31
12026 211.62971496582 2979.23071289062 0.83
12027 243.971221923828 3058.2705078125 0.85
12028 267.561004638672 3180.29345703125 0.88
12029 275.105682373047 4434.3291015625 1.23
12030 290.108581542969 7415.12744140625 2.06
12031 299.102355957031 15771.7763671875 4.38
12032 317.112731933594 53765.765625 14.94
12033
12034 RECORD_TITLE: MZ:334.1393 | RT:121.8 | grpid:450 | file:2
12035 MS$FOCUSED_ION: PRECURSOR_M/Z 334.139343261719
12036 AC$CHROMATOGRAPHY: RETENTION_TIME 121.840812
12037 XCMS groupid (grpid): 450
12038 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
12039 PK$NUM_PEAK: 25
12040 PK$PEAK: m/z int. rel.int.
12041 102.039459228516 3126.5771484375 0.87
12042 102.05541229248 22925.572265625 6.37
12043 115.054595947266 4878.6552734375 1.36
12044 117.05744934082 4621.91650390625 1.28
12045 130.050003051758 4437.884765625 1.23
12046 130.065124511719 96286.6640625 26.76
12047 132.080841064453 156089.21875 43.37
12048 142.065338134766 25176.822265625 7
12049 142.121871948242 2997.10668945312 0.83
12050 144.08073425293 147070.765625 40.87
12051 156.029846191406 3091.78295898438 0.86
12052 159.091674804688 359873.875 100
12053 160.075439453125 19693.373046875 5.47
12054 170.059936523438 126897.40625 35.26
12055 175.081741333008 3287.94970703125 0.91
12056 185.056060791016 4413.828125 1.23
12057 187.143753051758 3404.30590820312 0.95
12058 188.07096862793 4698.71533203125 1.31
12059 211.62971496582 2979.23071289062 0.83
12060 243.971221923828 3058.2705078125 0.85
12061 267.561004638672 3180.29345703125 0.88
12062 275.105682373047 4434.3291015625 1.23
12063 290.108581542969 7415.12744140625 2.06
12064 299.102355957031 15771.7763671875 4.38
12065 317.112731933594 53765.765625 14.94
12066
12067 RECORD_TITLE: MZ:334.1392 | RT:121.8 | grpid:450 | file:2
12068 MS$FOCUSED_ION: PRECURSOR_M/Z 334.139221191406
12069 AC$CHROMATOGRAPHY: RETENTION_TIME 121.840812
12070 XCMS groupid (grpid): 450
12071 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
12072 PK$NUM_PEAK: 10
12073 PK$PEAK: m/z int. rel.int.
12074 130.064987182617 3957.09008789062 23.93
12075 132.081146240234 5052.8193359375 30.56
12076 134.146469116211 3342.78857421875 20.22
12077 144.081100463867 6675.05908203125 40.37
12078 159.091766357422 16535.984375 100
12079 160.094833374023 12418.2783203125 75.1
12080 170.059799194336 3234.10571289062 19.56
12081 171.062759399414 3257.57153320312 19.7
12082 237.822662353516 3933.26025390625 23.79
12083 331.68310546875 3073.66259765625 18.59
12084
12085 RECORD_TITLE: MZ:334.1392 | RT:121.8 | grpid:450 | file:2
12086 MS$FOCUSED_ION: PRECURSOR_M/Z 334.139221191406
12087 AC$CHROMATOGRAPHY: RETENTION_TIME 121.840812
12088 XCMS groupid (grpid): 450
12089 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
12090 PK$NUM_PEAK: 10
12091 PK$PEAK: m/z int. rel.int.
12092 130.064987182617 3957.09008789062 23.93
12093 132.081146240234 5052.8193359375 30.56
12094 134.146469116211 3342.78857421875 20.22
12095 144.081100463867 6675.05908203125 40.37
12096 159.091766357422 16535.984375 100
12097 160.094833374023 12418.2783203125 75.1
12098 170.059799194336 3234.10571289062 19.56
12099 171.062759399414 3257.57153320312 19.7
12100 237.822662353516 3933.26025390625 23.79
12101 331.68310546875 3073.66259765625 18.59
12102
12103 RECORD_TITLE: MZ:335.0734 | RT:37.1 | grpid:451 | file:1
12104 MS$FOCUSED_ION: PRECURSOR_M/Z 335.073364257812
12105 AC$CHROMATOGRAPHY: RETENTION_TIME 37.1197878
12106 XCMS groupid (grpid): 451
12107 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
12108 PK$NUM_PEAK: 23
12109 PK$PEAK: m/z int. rel.int.
12110 109.028854370117 77211.3671875 100
12111 112.417579650879 2861.51879882812 3.71
12112 116.994819641113 14928.2919921875 19.33
12113 120.833572387695 2670.53662109375 3.46
12114 124.93717956543 4491.90380859375 5.82
12115 127.038955688477 18605.169921875 24.1
12116 140.010711669922 17025.10546875 22.05
12117 142.948211669922 6705.46044921875 8.68
12118 145.049789428711 6557.4921875 8.49
12119 162.45671081543 3080.2978515625 3.99
12120 163.060287475586 22311.455078125 28.9
12121 164.930374145508 42782.25390625 55.41
12122 173.020812988281 63736.734375 82.55
12123 178.944793701172 22036.150390625 28.54
12124 215.009567260742 14709.431640625 19.05
12125 218.967132568359 51529.28515625 66.74
12126 236.957992553711 29484.544921875 38.19
12127 244.980163574219 4468.62158203125 5.79
12128 261.036590576172 47865.4765625 61.99
12129 273.154998779297 3246.16064453125 4.2
12130 276.924835205078 5296.65771484375 6.86
12131 316.950531005859 7445.36279296875 9.64
12132 335.071899414062 3603.01391601562 4.67
12133
12134 RECORD_TITLE: MZ:335.0734 | RT:37.1 | grpid:451 | file:1
12135 MS$FOCUSED_ION: PRECURSOR_M/Z 335.073364257812
12136 AC$CHROMATOGRAPHY: RETENTION_TIME 37.1197878
12137 XCMS groupid (grpid): 451
12138 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
12139 PK$NUM_PEAK: 23
12140 PK$PEAK: m/z int. rel.int.
12141 109.028854370117 77211.3671875 100
12142 112.417579650879 2861.51879882812 3.71
12143 116.994819641113 14928.2919921875 19.33
12144 120.833572387695 2670.53662109375 3.46
12145 124.93717956543 4491.90380859375 5.82
12146 127.038955688477 18605.169921875 24.1
12147 140.010711669922 17025.10546875 22.05
12148 142.948211669922 6705.46044921875 8.68
12149 145.049789428711 6557.4921875 8.49
12150 162.45671081543 3080.2978515625 3.99
12151 163.060287475586 22311.455078125 28.9
12152 164.930374145508 42782.25390625 55.41
12153 173.020812988281 63736.734375 82.55
12154 178.944793701172 22036.150390625 28.54
12155 215.009567260742 14709.431640625 19.05
12156 218.967132568359 51529.28515625 66.74
12157 236.957992553711 29484.544921875 38.19
12158 244.980163574219 4468.62158203125 5.79
12159 261.036590576172 47865.4765625 61.99
12160 273.154998779297 3246.16064453125 4.2
12161 276.924835205078 5296.65771484375 6.86
12162 316.950531005859 7445.36279296875 9.64
12163 335.071899414062 3603.01391601562 4.67
12164
12165 RECORD_TITLE: MZ:347.192 | RT:78 | grpid:479 | file:1
12166 MS$FOCUSED_ION: PRECURSOR_M/Z 347.192047119141
12167 AC$CHROMATOGRAPHY: RETENTION_TIME 78.035046
12168 XCMS groupid (grpid): 479
12169 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
12170 PK$NUM_PEAK: 41
12171 PK$PEAK: m/z int. rel.int.
12172 101.071395874023 36722.35546875 38.71
12173 102.055473327637 12178.884765625 12.84
12174 104.107437133789 3611.51147460938 3.81
12175 106.050285339355 66337.3125 69.93
12176 116.034309387207 5426.02001953125 5.72
12177 117.102752685547 27565.560546875 29.06
12178 120.065902709961 29009.529296875 30.58
12179 126.055541992188 13872.5205078125 14.62
12180 129.066314697266 6067.94677734375 6.4
12181 129.102447509766 14015.0029296875 14.77
12182 130.050277709961 6952.18408203125 7.33
12183 131.118026733398 88652.1171875 93.45
12184 131.743316650391 3037.6884765625 3.2
12185 138.055160522461 25798.439453125 27.19
12186 138.091445922852 6596.6171875 6.95
12187 147.075805664062 5174.88916015625 5.45
12188 166.086776733398 19900.91015625 20.98
12189 173.128143310547 3893.62866210938 4.1
12190 182.128631591797 30412.494140625 32.06
12191 183.113128662109 33628.2265625 35.45
12192 183.127197265625 4881.974609375 5.15
12193 194.08171081543 3527.17700195312 3.72
12194 197.129364013672 3868.83959960938 4.08
12195 198.087432861328 3675.75659179688 3.87
12196 199.071380615234 18248.08203125 19.24
12197 200.139343261719 6621.89208984375 6.98
12198 208.097366333008 19597.248046875 20.66
12199 210.124145507812 4820.18994140625 5.08
12200 211.107498168945 7448.48388671875 7.85
12201 213.084991455078 5254.2373046875 5.54
12202 216.097595214844 94867.9609375 100
12203 217.081848144531 54060.87109375 56.99
12204 225.123306274414 20626.63671875 21.74
12205 228.134155273438 7546.26806640625 7.95
12206 230.114303588867 20103.36328125 21.19
12207 231.097717285156 5764.61865234375 6.08
12208 234.108108520508 13473.4130859375 14.2
12209 242.150268554688 25836.65625 27.23
12210 273.754791259766 3415.47680664062 3.6
12211 329.180480957031 4035.25463867188 4.25
12212 347.135772705078 4032.771484375 4.25
12213
12214 RECORD_TITLE: MZ:347.192 | RT:78 | grpid:479 | file:1
12215 MS$FOCUSED_ION: PRECURSOR_M/Z 347.192047119141
12216 AC$CHROMATOGRAPHY: RETENTION_TIME 78.035046
12217 XCMS groupid (grpid): 479
12218 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
12219 PK$NUM_PEAK: 41
12220 PK$PEAK: m/z int. rel.int.
12221 101.071395874023 36722.35546875 38.71
12222 102.055473327637 12178.884765625 12.84
12223 104.107437133789 3611.51147460938 3.81
12224 106.050285339355 66337.3125 69.93
12225 116.034309387207 5426.02001953125 5.72
12226 117.102752685547 27565.560546875 29.06
12227 120.065902709961 29009.529296875 30.58
12228 126.055541992188 13872.5205078125 14.62
12229 129.066314697266 6067.94677734375 6.4
12230 129.102447509766 14015.0029296875 14.77
12231 130.050277709961 6952.18408203125 7.33
12232 131.118026733398 88652.1171875 93.45
12233 131.743316650391 3037.6884765625 3.2
12234 138.055160522461 25798.439453125 27.19
12235 138.091445922852 6596.6171875 6.95
12236 147.075805664062 5174.88916015625 5.45
12237 166.086776733398 19900.91015625 20.98
12238 173.128143310547 3893.62866210938 4.1
12239 182.128631591797 30412.494140625 32.06
12240 183.113128662109 33628.2265625 35.45
12241 183.127197265625 4881.974609375 5.15
12242 194.08171081543 3527.17700195312 3.72
12243 197.129364013672 3868.83959960938 4.08
12244 198.087432861328 3675.75659179688 3.87
12245 199.071380615234 18248.08203125 19.24
12246 200.139343261719 6621.89208984375 6.98
12247 208.097366333008 19597.248046875 20.66
12248 210.124145507812 4820.18994140625 5.08
12249 211.107498168945 7448.48388671875 7.85
12250 213.084991455078 5254.2373046875 5.54
12251 216.097595214844 94867.9609375 100
12252 217.081848144531 54060.87109375 56.99
12253 225.123306274414 20626.63671875 21.74
12254 228.134155273438 7546.26806640625 7.95
12255 230.114303588867 20103.36328125 21.19
12256 231.097717285156 5764.61865234375 6.08
12257 234.108108520508 13473.4130859375 14.2
12258 242.150268554688 25836.65625 27.23
12259 273.754791259766 3415.47680664062 3.6
12260 329.180480957031 4035.25463867188 4.25
12261 347.135772705078 4032.771484375 4.25
12262
12263 RECORD_TITLE: MZ:347.1921 | RT:78 | grpid:479 | file:1
12264 MS$FOCUSED_ION: PRECURSOR_M/Z 347.192077636719
12265 AC$CHROMATOGRAPHY: RETENTION_TIME 78.035046
12266 XCMS groupid (grpid): 479
12267 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
12268 PK$NUM_PEAK: 32
12269 PK$PEAK: m/z int. rel.int.
12270 101.071617126465 5398.6298828125 0.58
12271 103.723625183105 3265.326171875 0.35
12272 111.991218566895 2874.86499023438 0.31
12273 113.259422302246 3109.1875 0.33
12274 118.086029052734 11762.2548828125 1.26
12275 119.081771850586 53567.3359375 5.73
12276 129.102493286133 6082.703125 0.65
12277 130.050003051758 17961.625 1.92
12278 131.117706298828 5159.43408203125 0.55
12279 133.060852050781 20302.984375 2.17
12280 136.06184387207 934707.875 100
12281 137.046966552734 4568.6171875 0.49
12282 140.070251464844 5176.26806640625 0.55
12283 142.1220703125 7424.966796875 0.79
12284 147.076477050781 32539.701171875 3.48
12285 167.910797119141 3329.25659179688 0.36
12286 183.113388061523 4327.50830078125 0.46
12287 184.108337402344 3478.05834960938 0.37
12288 187.144195556641 13290.1728515625 1.42
12289 195.076766967773 7138.642578125 0.76
12290 199.071472167969 6982.3671875 0.75
12291 202.115982055664 3711.18725585938 0.4
12292 212.10383605957 5277.38427734375 0.56
12293 216.096878051758 4186.36376953125 0.45
12294 217.082321166992 12990.05078125 1.39
12295 228.134292602539 7821.84130859375 0.84
12296 229.116607666016 4174.86865234375 0.45
12297 230.113189697266 12964.26171875 1.39
12298 234.108322143555 22444.685546875 2.4
12299 269.112457275391 13442.9560546875 1.44
12300 348.072723388672 3934.16088867188 0.42
12301 358.842193603516 3603.02954101562 0.39
12302
12303 RECORD_TITLE: MZ:347.1921 | RT:78 | grpid:479 | file:1
12304 MS$FOCUSED_ION: PRECURSOR_M/Z 347.192077636719
12305 AC$CHROMATOGRAPHY: RETENTION_TIME 78.035046
12306 XCMS groupid (grpid): 479
12307 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
12308 PK$NUM_PEAK: 32
12309 PK$PEAK: m/z int. rel.int.
12310 101.071617126465 5398.6298828125 0.58
12311 103.723625183105 3265.326171875 0.35
12312 111.991218566895 2874.86499023438 0.31
12313 113.259422302246 3109.1875 0.33
12314 118.086029052734 11762.2548828125 1.26
12315 119.081771850586 53567.3359375 5.73
12316 129.102493286133 6082.703125 0.65
12317 130.050003051758 17961.625 1.92
12318 131.117706298828 5159.43408203125 0.55
12319 133.060852050781 20302.984375 2.17
12320 136.06184387207 934707.875 100
12321 137.046966552734 4568.6171875 0.49
12322 140.070251464844 5176.26806640625 0.55
12323 142.1220703125 7424.966796875 0.79
12324 147.076477050781 32539.701171875 3.48
12325 167.910797119141 3329.25659179688 0.36
12326 183.113388061523 4327.50830078125 0.46
12327 184.108337402344 3478.05834960938 0.37
12328 187.144195556641 13290.1728515625 1.42
12329 195.076766967773 7138.642578125 0.76
12330 199.071472167969 6982.3671875 0.75
12331 202.115982055664 3711.18725585938 0.4
12332 212.10383605957 5277.38427734375 0.56
12333 216.096878051758 4186.36376953125 0.45
12334 217.082321166992 12990.05078125 1.39
12335 228.134292602539 7821.84130859375 0.84
12336 229.116607666016 4174.86865234375 0.45
12337 230.113189697266 12964.26171875 1.39
12338 234.108322143555 22444.685546875 2.4
12339 269.112457275391 13442.9560546875 1.44
12340 348.072723388672 3934.16088867188 0.42
12341 358.842193603516 3603.02954101562 0.39
12342
12343 RECORD_TITLE: MZ:347.1919 | RT:78 | grpid:479 | file:1
12344 MS$FOCUSED_ION: PRECURSOR_M/Z 347.19189453125
12345 AC$CHROMATOGRAPHY: RETENTION_TIME 78.035046
12346 XCMS groupid (grpid): 479
12347 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
12348 PK$NUM_PEAK: 59
12349 PK$PEAK: m/z int. rel.int.
12350 101.071342468262 67131.6328125 17.67
12351 102.055252075195 18796.11328125 4.95
12352 106.050277709961 218794.21875 57.58
12353 107.104606628418 3064.73291015625 0.81
12354 111.055686950684 5306.08056640625 1.4
12355 112.039695739746 5410.03271484375 1.42
12356 113.071922302246 4417.6298828125 1.16
12357 113.107406616211 7651.3349609375 2.01
12358 114.091529846191 5093.830078125 1.34
12359 119.027992248535 6032.75927734375 1.59
12360 120.065956115723 40173.86328125 10.57
12361 124.075370788574 4468.697265625 1.18
12362 128.082244873047 4350.3779296875 1.14
12363 129.065994262695 243434.0625 64.07
12364 130.049896240234 130006.5703125 34.22
12365 133.060409545898 5034.31005859375 1.32
12366 136.039566040039 28325.84765625 7.46
12367 136.061645507812 90744.3984375 23.88
12368 138.091384887695 21720.21875 5.72
12369 141.066055297852 5526.537109375 1.45
12370 141.102294921875 26923.265625 7.09
12371 151.798751831055 3289.8720703125 0.87
12372 152.106582641602 33480.94140625 8.81
12373 154.049896240234 29585.576171875 7.79
12374 155.11784362793 6869.15380859375 1.81
12375 157.060882568359 18561.748046875 4.89
12376 159.015686035156 4429.44482421875 1.17
12377 169.133438110352 55480.6015625 14.6
12378 169.832992553711 3083.3857421875 0.81
12379 171.075607299805 24928.0234375 6.56
12380 175.071258544922 15648 4.12
12381 182.044784545898 8141.91845703125 2.14
12382 183.112915039062 74347.671875 19.57
12383 194.226165771484 4062.87719726562 1.07
12384 196.144393920898 379956.46875 100
12385 197.128433227539 314344.34375 82.73
12386 199.071014404297 33875.81640625 8.92
12387 200.05534362793 33817.63671875 8.9
12388 200.139053344727 27133.689453125 7.14
12389 201.124450683594 5969.89599609375 1.57
12390 211.107559204102 38467.1484375 10.12
12391 214.154907226562 130225.1640625 34.27
12392 216.097686767578 139561.578125 36.73
12393 217.081802368164 187585.0625 49.37
12394 218.983703613281 3276.4619140625 0.86
12395 224.139099121094 70138.0625 18.46
12396 225.123611450195 23002.673828125 6.05
12397 228.134658813477 36220.44140625 9.53
12398 234.108627319336 62702.76171875 16.5
12399 242.150985717773 8458.8427734375 2.23
12400 243.134872436523 3988.93627929688 1.05
12401 254.144836425781 4191.40625 1.1
12402 294.081909179688 3502.19140625 0.92
12403 311.171295166016 4969.04345703125 1.31
12404 312.155426025391 13118.77734375 3.45
12405 329.181610107422 60851.21484375 16.02
12406 330.166595458984 7788.13623046875 2.05
12407 337.523315429688 3762.87573242188 0.99
12408 347.136596679688 4138.767578125 1.09
12409
12410 RECORD_TITLE: MZ:347.1919 | RT:78 | grpid:479 | file:1
12411 MS$FOCUSED_ION: PRECURSOR_M/Z 347.19189453125
12412 AC$CHROMATOGRAPHY: RETENTION_TIME 78.035046
12413 XCMS groupid (grpid): 479
12414 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
12415 PK$NUM_PEAK: 59
12416 PK$PEAK: m/z int. rel.int.
12417 101.071342468262 67131.6328125 17.67
12418 102.055252075195 18796.11328125 4.95
12419 106.050277709961 218794.21875 57.58
12420 107.104606628418 3064.73291015625 0.81
12421 111.055686950684 5306.08056640625 1.4
12422 112.039695739746 5410.03271484375 1.42
12423 113.071922302246 4417.6298828125 1.16
12424 113.107406616211 7651.3349609375 2.01
12425 114.091529846191 5093.830078125 1.34
12426 119.027992248535 6032.75927734375 1.59
12427 120.065956115723 40173.86328125 10.57
12428 124.075370788574 4468.697265625 1.18
12429 128.082244873047 4350.3779296875 1.14
12430 129.065994262695 243434.0625 64.07
12431 130.049896240234 130006.5703125 34.22
12432 133.060409545898 5034.31005859375 1.32
12433 136.039566040039 28325.84765625 7.46
12434 136.061645507812 90744.3984375 23.88
12435 138.091384887695 21720.21875 5.72
12436 141.066055297852 5526.537109375 1.45
12437 141.102294921875 26923.265625 7.09
12438 151.798751831055 3289.8720703125 0.87
12439 152.106582641602 33480.94140625 8.81
12440 154.049896240234 29585.576171875 7.79
12441 155.11784362793 6869.15380859375 1.81
12442 157.060882568359 18561.748046875 4.89
12443 159.015686035156 4429.44482421875 1.17
12444 169.133438110352 55480.6015625 14.6
12445 169.832992553711 3083.3857421875 0.81
12446 171.075607299805 24928.0234375 6.56
12447 175.071258544922 15648 4.12
12448 182.044784545898 8141.91845703125 2.14
12449 183.112915039062 74347.671875 19.57
12450 194.226165771484 4062.87719726562 1.07
12451 196.144393920898 379956.46875 100
12452 197.128433227539 314344.34375 82.73
12453 199.071014404297 33875.81640625 8.92
12454 200.05534362793 33817.63671875 8.9
12455 200.139053344727 27133.689453125 7.14
12456 201.124450683594 5969.89599609375 1.57
12457 211.107559204102 38467.1484375 10.12
12458 214.154907226562 130225.1640625 34.27
12459 216.097686767578 139561.578125 36.73
12460 217.081802368164 187585.0625 49.37
12461 218.983703613281 3276.4619140625 0.86
12462 224.139099121094 70138.0625 18.46
12463 225.123611450195 23002.673828125 6.05
12464 228.134658813477 36220.44140625 9.53
12465 234.108627319336 62702.76171875 16.5
12466 242.150985717773 8458.8427734375 2.23
12467 243.134872436523 3988.93627929688 1.05
12468 254.144836425781 4191.40625 1.1
12469 294.081909179688 3502.19140625 0.92
12470 311.171295166016 4969.04345703125 1.31
12471 312.155426025391 13118.77734375 3.45
12472 329.181610107422 60851.21484375 16.02
12473 330.166595458984 7788.13623046875 2.05
12474 337.523315429688 3762.87573242188 0.99
12475 347.136596679688 4138.767578125 1.09
12476
12477 RECORD_TITLE: MZ:347.1921 | RT:78 | grpid:479 | file:1
12478 MS$FOCUSED_ION: PRECURSOR_M/Z 347.192138671875
12479 AC$CHROMATOGRAPHY: RETENTION_TIME 78.035046
12480 XCMS groupid (grpid): 479
12481 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
12482 PK$NUM_PEAK: 37
12483 PK$PEAK: m/z int. rel.int.
12484 101.071487426758 40989.35546875 34.36
12485 106.050384521484 64746.98046875 54.27
12486 120.065864562988 4761.80517578125 3.99
12487 121.520545959473 2847.18041992188 2.39
12488 129.066116333008 60496.7890625 50.71
12489 130.050064086914 23598.990234375 19.78
12490 130.669448852539 3460.10278320312 2.9
12491 133.060775756836 12427.3515625 10.42
12492 136.061584472656 27977.552734375 23.45
12493 142.122940063477 6189.60009765625 5.19
12494 143.117980957031 15174.6083984375 12.72
12495 145.9912109375 3175.48364257812 2.66
12496 147.076156616211 4811.203125 4.03
12497 152.107345581055 4193.61572265625 3.51
12498 154.049835205078 4187.4208984375 3.51
12499 157.061325073242 4259.90673828125 3.57
12500 159.076675415039 7720.0576171875 6.47
12501 169.133605957031 13385.06640625 11.22
12502 171.075302124023 4705.1201171875 3.94
12503 173.128509521484 17742.390625 14.87
12504 183.112686157227 21386.86328125 17.93
12505 187.144302368164 75211.1640625 63.04
12506 196.144546508789 119310.4921875 100
12507 196.161560058594 6113.5751953125 5.12
12508 197.128448486328 104142.390625 87.29
12509 199.070983886719 3278.1484375 2.75
12510 200.05534362793 5266.3837890625 4.41
12511 214.155090332031 32611.912109375 27.33
12512 215.13948059082 4107.84912109375 3.44
12513 216.098419189453 18995.390625 15.92
12514 217.081909179688 36514.08984375 30.6
12515 224.139236450195 13932.6943359375 11.68
12516 225.123077392578 4146.5458984375 3.48
12517 228.133529663086 2950.7197265625 2.47
12518 234.108062744141 13047.580078125 10.94
12519 291.422515869141 3581.61791992188 3
12520 329.181762695312 16518.06640625 13.84
12521
12522 RECORD_TITLE: MZ:347.1921 | RT:78 | grpid:479 | file:1
12523 MS$FOCUSED_ION: PRECURSOR_M/Z 347.192138671875
12524 AC$CHROMATOGRAPHY: RETENTION_TIME 78.035046
12525 XCMS groupid (grpid): 479
12526 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
12527 PK$NUM_PEAK: 37
12528 PK$PEAK: m/z int. rel.int.
12529 101.071487426758 40989.35546875 34.36
12530 106.050384521484 64746.98046875 54.27
12531 120.065864562988 4761.80517578125 3.99
12532 121.520545959473 2847.18041992188 2.39
12533 129.066116333008 60496.7890625 50.71
12534 130.050064086914 23598.990234375 19.78
12535 130.669448852539 3460.10278320312 2.9
12536 133.060775756836 12427.3515625 10.42
12537 136.061584472656 27977.552734375 23.45
12538 142.122940063477 6189.60009765625 5.19
12539 143.117980957031 15174.6083984375 12.72
12540 145.9912109375 3175.48364257812 2.66
12541 147.076156616211 4811.203125 4.03
12542 152.107345581055 4193.61572265625 3.51
12543 154.049835205078 4187.4208984375 3.51
12544 157.061325073242 4259.90673828125 3.57
12545 159.076675415039 7720.0576171875 6.47
12546 169.133605957031 13385.06640625 11.22
12547 171.075302124023 4705.1201171875 3.94
12548 173.128509521484 17742.390625 14.87
12549 183.112686157227 21386.86328125 17.93
12550 187.144302368164 75211.1640625 63.04
12551 196.144546508789 119310.4921875 100
12552 196.161560058594 6113.5751953125 5.12
12553 197.128448486328 104142.390625 87.29
12554 199.070983886719 3278.1484375 2.75
12555 200.05534362793 5266.3837890625 4.41
12556 214.155090332031 32611.912109375 27.33
12557 215.13948059082 4107.84912109375 3.44
12558 216.098419189453 18995.390625 15.92
12559 217.081909179688 36514.08984375 30.6
12560 224.139236450195 13932.6943359375 11.68
12561 225.123077392578 4146.5458984375 3.48
12562 228.133529663086 2950.7197265625 2.47
12563 234.108062744141 13047.580078125 10.94
12564 291.422515869141 3581.61791992188 3
12565 329.181762695312 16518.06640625 13.84
12566
12567 RECORD_TITLE: MZ:347.192 | RT:78.2 | grpid:479 | file:2
12568 MS$FOCUSED_ION: PRECURSOR_M/Z 347.192016601562
12569 AC$CHROMATOGRAPHY: RETENTION_TIME 78.227304
12570 XCMS groupid (grpid): 479
12571 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
12572 PK$NUM_PEAK: 41
12573 PK$PEAK: m/z int. rel.int.
12574 101.071472167969 45171.87890625 33.5
12575 102.055595397949 6679.82958984375 4.95
12576 105.658126831055 3707.39477539062 2.75
12577 106.050277709961 94428.2109375 70.02
12578 116.034446716309 5382.24560546875 3.99
12579 117.102355957031 22969.318359375 17.03
12580 119.081619262695 15858.53515625 11.76
12581 120.066009521484 41722.78515625 30.94
12582 126.055160522461 13486.7880859375 10
12583 129.066040039062 13209.2607421875 9.8
12584 129.102676391602 6650.53466796875 4.93
12585 130.050033569336 6798.6640625 5.04
12586 131.118011474609 134854.96875 100
12587 138.055084228516 22609.16015625 16.77
12588 138.091369628906 15092.345703125 11.19
12589 147.077117919922 3462.21313476562 2.57
12590 154.050765991211 5072.5625 3.76
12591 155.117828369141 4750.36962890625 3.52
12592 166.086135864258 24965.6328125 18.51
12593 171.076461791992 3248.8759765625 2.41
12594 182.128799438477 40382.1875 29.94
12595 183.112777709961 39353.09375 29.18
12596 195.076858520508 3728.78540039062 2.77
12597 198.087158203125 7683.8017578125 5.7
12598 199.071533203125 31779.052734375 23.57
12599 200.139190673828 17975.09765625 13.33
12600 208.096084594727 23380.4140625 17.34
12601 210.124420166016 6294.1494140625 4.67
12602 211.108596801758 4997.61572265625 3.71
12603 213.086563110352 4341.16455078125 3.22
12604 216.097839355469 120547.3359375 89.39
12605 217.081939697266 84208.7109375 62.44
12606 225.12385559082 34527.33984375 25.6
12607 228.13459777832 7211.38134765625 5.35
12608 230.114776611328 6686.7216796875 4.96
12609 231.098007202148 4702.59814453125 3.49
12610 234.108520507812 27310.677734375 20.25
12611 242.149551391602 36058.55078125 26.74
12612 329.181365966797 6031.48583984375 4.47
12613 347.132202148438 13041.052734375 9.67
12614 351.198883056641 3373.9384765625 2.5
12615
12616 RECORD_TITLE: MZ:347.192 | RT:78.2 | grpid:479 | file:2
12617 MS$FOCUSED_ION: PRECURSOR_M/Z 347.192016601562
12618 AC$CHROMATOGRAPHY: RETENTION_TIME 78.227304
12619 XCMS groupid (grpid): 479
12620 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
12621 PK$NUM_PEAK: 41
12622 PK$PEAK: m/z int. rel.int.
12623 101.071472167969 45171.87890625 33.5
12624 102.055595397949 6679.82958984375 4.95
12625 105.658126831055 3707.39477539062 2.75
12626 106.050277709961 94428.2109375 70.02
12627 116.034446716309 5382.24560546875 3.99
12628 117.102355957031 22969.318359375 17.03
12629 119.081619262695 15858.53515625 11.76
12630 120.066009521484 41722.78515625 30.94
12631 126.055160522461 13486.7880859375 10
12632 129.066040039062 13209.2607421875 9.8
12633 129.102676391602 6650.53466796875 4.93
12634 130.050033569336 6798.6640625 5.04
12635 131.118011474609 134854.96875 100
12636 138.055084228516 22609.16015625 16.77
12637 138.091369628906 15092.345703125 11.19
12638 147.077117919922 3462.21313476562 2.57
12639 154.050765991211 5072.5625 3.76
12640 155.117828369141 4750.36962890625 3.52
12641 166.086135864258 24965.6328125 18.51
12642 171.076461791992 3248.8759765625 2.41
12643 182.128799438477 40382.1875 29.94
12644 183.112777709961 39353.09375 29.18
12645 195.076858520508 3728.78540039062 2.77
12646 198.087158203125 7683.8017578125 5.7
12647 199.071533203125 31779.052734375 23.57
12648 200.139190673828 17975.09765625 13.33
12649 208.096084594727 23380.4140625 17.34
12650 210.124420166016 6294.1494140625 4.67
12651 211.108596801758 4997.61572265625 3.71
12652 213.086563110352 4341.16455078125 3.22
12653 216.097839355469 120547.3359375 89.39
12654 217.081939697266 84208.7109375 62.44
12655 225.12385559082 34527.33984375 25.6
12656 228.13459777832 7211.38134765625 5.35
12657 230.114776611328 6686.7216796875 4.96
12658 231.098007202148 4702.59814453125 3.49
12659 234.108520507812 27310.677734375 20.25
12660 242.149551391602 36058.55078125 26.74
12661 329.181365966797 6031.48583984375 4.47
12662 347.132202148438 13041.052734375 9.67
12663 351.198883056641 3373.9384765625 2.5
12664
12665 RECORD_TITLE: MZ:347.192 | RT:78.2 | grpid:479 | file:2
12666 MS$FOCUSED_ION: PRECURSOR_M/Z 347.191955566406
12667 AC$CHROMATOGRAPHY: RETENTION_TIME 78.227304
12668 XCMS groupid (grpid): 479
12669 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
12670 PK$NUM_PEAK: 22
12671 PK$PEAK: m/z int. rel.int.
12672 118.086494445801 7576.1259765625 0.8
12673 119.082153320312 26106.646484375 2.77
12674 130.049880981445 17185.96875 1.82
12675 131.117950439453 5408.10400390625 0.57
12676 133.060958862305 27915.302734375 2.96
12677 136.061828613281 943455.25 100
12678 140.070571899414 5643.03369140625 0.6
12679 142.123306274414 4116.3525390625 0.44
12680 147.076507568359 25436.30859375 2.7
12681 174.527114868164 3235.583984375 0.34
12682 183.112243652344 3094.64013671875 0.33
12683 183.399597167969 3205.13110351562 0.34
12684 187.144058227539 6450.958984375 0.68
12685 194.788650512695 3975.75512695312 0.42
12686 195.076263427734 5637.611328125 0.6
12687 199.070770263672 4166.3154296875 0.44
12688 216.098327636719 7582.521484375 0.8
12689 217.081878662109 13866.9384765625 1.47
12690 218.650161743164 3395.4833984375 0.36
12691 228.134613037109 4603.17626953125 0.49
12692 230.112823486328 12677.3818359375 1.34
12693 234.108779907227 24262.263671875 2.57
12694
12695 RECORD_TITLE: MZ:347.192 | RT:78.2 | grpid:479 | file:2
12696 MS$FOCUSED_ION: PRECURSOR_M/Z 347.191955566406
12697 AC$CHROMATOGRAPHY: RETENTION_TIME 78.227304
12698 XCMS groupid (grpid): 479
12699 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
12700 PK$NUM_PEAK: 22
12701 PK$PEAK: m/z int. rel.int.
12702 118.086494445801 7576.1259765625 0.8
12703 119.082153320312 26106.646484375 2.77
12704 130.049880981445 17185.96875 1.82
12705 131.117950439453 5408.10400390625 0.57
12706 133.060958862305 27915.302734375 2.96
12707 136.061828613281 943455.25 100
12708 140.070571899414 5643.03369140625 0.6
12709 142.123306274414 4116.3525390625 0.44
12710 147.076507568359 25436.30859375 2.7
12711 174.527114868164 3235.583984375 0.34
12712 183.112243652344 3094.64013671875 0.33
12713 183.399597167969 3205.13110351562 0.34
12714 187.144058227539 6450.958984375 0.68
12715 194.788650512695 3975.75512695312 0.42
12716 195.076263427734 5637.611328125 0.6
12717 199.070770263672 4166.3154296875 0.44
12718 216.098327636719 7582.521484375 0.8
12719 217.081878662109 13866.9384765625 1.47
12720 218.650161743164 3395.4833984375 0.36
12721 228.134613037109 4603.17626953125 0.49
12722 230.112823486328 12677.3818359375 1.34
12723 234.108779907227 24262.263671875 2.57
12724
12725 RECORD_TITLE: MZ:347.192 | RT:78.2 | grpid:479 | file:2
12726 MS$FOCUSED_ION: PRECURSOR_M/Z 347.192016601562
12727 AC$CHROMATOGRAPHY: RETENTION_TIME 78.227304
12728 XCMS groupid (grpid): 479
12729 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
12730 PK$NUM_PEAK: 51
12731 PK$PEAK: m/z int. rel.int.
12732 101.071464538574 86710.421875 15.64
12733 102.055419921875 16750.51171875 3.02
12734 106.050262451172 326808.28125 58.94
12735 110.024299621582 4180.4189453125 0.75
12736 111.054672241211 4446.888671875 0.8
12737 112.03987121582 15317.3837890625 2.76
12738 113.071136474609 5033.79931640625 0.91
12739 113.107872009277 7782.1552734375 1.4
12740 119.027214050293 5185.5869140625 0.94
12741 120.065795898438 47101.57421875 8.49
12742 124.076080322266 8508.0908203125 1.53
12743 124.112075805664 3781.13989257812 0.68
12744 129.065963745117 336905.34375 60.76
12745 130.049957275391 153014.78125 27.6
12746 133.06120300293 4344.95849609375 0.78
12747 136.039505004883 41360.9375 7.46
12748 136.061737060547 77739.6875 14.02
12749 138.090881347656 25728.29296875 4.64
12750 141.066192626953 19321.017578125 3.48
12751 141.10237121582 25214.966796875 4.55
12752 152.106796264648 44305.04296875 7.99
12753 154.049896240234 38068.2109375 6.87
12754 155.117980957031 19165.912109375 3.46
12755 157.060729980469 32097.42578125 5.79
12756 169.133544921875 71929.4453125 12.97
12757 171.075973510742 31011.087890625 5.59
12758 173.128509521484 4554.48291015625 0.82
12759 175.070938110352 34309.6171875 6.19
12760 182.044403076172 6395.119140625 1.15
12761 183.112976074219 83536.6484375 15.07
12762 196.144378662109 554486.625 100
12763 197.128356933594 462486.3125 83.41
12764 199.071243286133 54419.57421875 9.81
12765 200.055435180664 47453.04296875 8.56
12766 200.139434814453 25883.7109375 4.67
12767 201.124267578125 5971.03466796875 1.08
12768 211.107833862305 49542.984375 8.93
12769 214.154830932617 220224.4375 39.72
12770 216.097778320312 174523.84375 31.47
12771 217.081726074219 241583.046875 43.57
12772 219.135192871094 7421.40869140625 1.34
12773 224.13932800293 100327.328125 18.09
12774 225.122940063477 34235.1484375 6.17
12775 228.133651733398 48658.98046875 8.78
12776 234.107971191406 83230.9140625 15.01
12777 242.149429321289 16705.0546875 3.01
12778 243.133178710938 7099.02587890625 1.28
12779 311.170501708984 15094.2666015625 2.72
12780 312.156188964844 22827.654296875 4.12
12781 329.181121826172 67683.03125 12.21
12782 330.1669921875 13961.8564453125 2.52
12783
12784 RECORD_TITLE: MZ:347.192 | RT:78.2 | grpid:479 | file:2
12785 MS$FOCUSED_ION: PRECURSOR_M/Z 347.192016601562
12786 AC$CHROMATOGRAPHY: RETENTION_TIME 78.227304
12787 XCMS groupid (grpid): 479
12788 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
12789 PK$NUM_PEAK: 51
12790 PK$PEAK: m/z int. rel.int.
12791 101.071464538574 86710.421875 15.64
12792 102.055419921875 16750.51171875 3.02
12793 106.050262451172 326808.28125 58.94
12794 110.024299621582 4180.4189453125 0.75
12795 111.054672241211 4446.888671875 0.8
12796 112.03987121582 15317.3837890625 2.76
12797 113.071136474609 5033.79931640625 0.91
12798 113.107872009277 7782.1552734375 1.4
12799 119.027214050293 5185.5869140625 0.94
12800 120.065795898438 47101.57421875 8.49
12801 124.076080322266 8508.0908203125 1.53
12802 124.112075805664 3781.13989257812 0.68
12803 129.065963745117 336905.34375 60.76
12804 130.049957275391 153014.78125 27.6
12805 133.06120300293 4344.95849609375 0.78
12806 136.039505004883 41360.9375 7.46
12807 136.061737060547 77739.6875 14.02
12808 138.090881347656 25728.29296875 4.64
12809 141.066192626953 19321.017578125 3.48
12810 141.10237121582 25214.966796875 4.55
12811 152.106796264648 44305.04296875 7.99
12812 154.049896240234 38068.2109375 6.87
12813 155.117980957031 19165.912109375 3.46
12814 157.060729980469 32097.42578125 5.79
12815 169.133544921875 71929.4453125 12.97
12816 171.075973510742 31011.087890625 5.59
12817 173.128509521484 4554.48291015625 0.82
12818 175.070938110352 34309.6171875 6.19
12819 182.044403076172 6395.119140625 1.15
12820 183.112976074219 83536.6484375 15.07
12821 196.144378662109 554486.625 100
12822 197.128356933594 462486.3125 83.41
12823 199.071243286133 54419.57421875 9.81
12824 200.055435180664 47453.04296875 8.56
12825 200.139434814453 25883.7109375 4.67
12826 201.124267578125 5971.03466796875 1.08
12827 211.107833862305 49542.984375 8.93
12828 214.154830932617 220224.4375 39.72
12829 216.097778320312 174523.84375 31.47
12830 217.081726074219 241583.046875 43.57
12831 219.135192871094 7421.40869140625 1.34
12832 224.13932800293 100327.328125 18.09
12833 225.122940063477 34235.1484375 6.17
12834 228.133651733398 48658.98046875 8.78
12835 234.107971191406 83230.9140625 15.01
12836 242.149429321289 16705.0546875 3.01
12837 243.133178710938 7099.02587890625 1.28
12838 311.170501708984 15094.2666015625 2.72
12839 312.156188964844 22827.654296875 4.12
12840 329.181121826172 67683.03125 12.21
12841 330.1669921875 13961.8564453125 2.52
12842
12843 RECORD_TITLE: MZ:347.192 | RT:78.2 | grpid:479 | file:2
12844 MS$FOCUSED_ION: PRECURSOR_M/Z 347.192047119141
12845 AC$CHROMATOGRAPHY: RETENTION_TIME 78.227304
12846 XCMS groupid (grpid): 479
12847 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
12848 PK$NUM_PEAK: 26
12849 PK$PEAK: m/z int. rel.int.
12850 101.07154083252 23334.921875 33.47
12851 106.05061340332 21394.607421875 30.69
12852 120.065376281738 4280.36767578125 6.14
12853 129.065979003906 17099.861328125 24.53
12854 129.102569580078 5942.06787109375 8.52
12855 130.050064086914 69717.953125 100
12856 133.060745239258 7111.97705078125 10.2
12857 136.061492919922 23103.876953125 33.14
12858 142.122909545898 4139.17333984375 5.94
12859 143.117935180664 6136.169921875 8.8
12860 147.076324462891 48777.5234375 69.96
12861 152.10758972168 2652.5576171875 3.8
12862 159.076309204102 3894.65112304688 5.59
12863 159.117523193359 3153.248046875 4.52
12864 169.133316040039 5803.83984375 8.32
12865 173.128433227539 50936.1328125 73.06
12866 183.112915039062 5503.88525390625 7.89
12867 187.144149780273 46521.71484375 66.73
12868 196.144607543945 42587.3203125 61.09
12869 197.127639770508 27507.111328125 39.45
12870 206.147750854492 3143.83666992188 4.51
12871 214.154968261719 13876.2412109375 19.9
12872 216.097473144531 6720.2353515625 9.64
12873 217.081832885742 18838.884765625 27.02
12874 329.182678222656 4375.25 6.28
12875 346.2744140625 2887.69140625 4.14
12876
12877 RECORD_TITLE: MZ:347.192 | RT:78.2 | grpid:479 | file:2
12878 MS$FOCUSED_ION: PRECURSOR_M/Z 347.192047119141
12879 AC$CHROMATOGRAPHY: RETENTION_TIME 78.227304
12880 XCMS groupid (grpid): 479
12881 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
12882 PK$NUM_PEAK: 26
12883 PK$PEAK: m/z int. rel.int.
12884 101.07154083252 23334.921875 33.47
12885 106.05061340332 21394.607421875 30.69
12886 120.065376281738 4280.36767578125 6.14
12887 129.065979003906 17099.861328125 24.53
12888 129.102569580078 5942.06787109375 8.52
12889 130.050064086914 69717.953125 100
12890 133.060745239258 7111.97705078125 10.2
12891 136.061492919922 23103.876953125 33.14
12892 142.122909545898 4139.17333984375 5.94
12893 143.117935180664 6136.169921875 8.8
12894 147.076324462891 48777.5234375 69.96
12895 152.10758972168 2652.5576171875 3.8
12896 159.076309204102 3894.65112304688 5.59
12897 159.117523193359 3153.248046875 4.52
12898 169.133316040039 5803.83984375 8.32
12899 173.128433227539 50936.1328125 73.06
12900 183.112915039062 5503.88525390625 7.89
12901 187.144149780273 46521.71484375 66.73
12902 196.144607543945 42587.3203125 61.09
12903 197.127639770508 27507.111328125 39.45
12904 206.147750854492 3143.83666992188 4.51
12905 214.154968261719 13876.2412109375 19.9
12906 216.097473144531 6720.2353515625 9.64
12907 217.081832885742 18838.884765625 27.02
12908 329.182678222656 4375.25 6.28
12909 346.2744140625 2887.69140625 4.14
12910
12911 RECORD_TITLE: MZ:352.0628 | RT:112 | grpid:488 | file:1
12912 MS$FOCUSED_ION: PRECURSOR_M/Z 352.062774658203
12913 AC$CHROMATOGRAPHY: RETENTION_TIME 111.9768
12914 XCMS groupid (grpid): 488
12915 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
12916 PK$NUM_PEAK: 15
12917 PK$PEAK: m/z int. rel.int.
12918 120.081108093262 19078.498046875 10.28
12919 122.027221679688 185501.0625 100
12920 130.050018310547 29379.146484375 15.84
12921 153.066421508789 5158.45703125 2.78
12922 177.999237060547 24312.58984375 13.11
12923 181.060684204102 4925.0029296875 2.65
12924 185.037384033203 21461.77734375 11.57
12925 185.331466674805 2902.93334960938 1.56
12926 195.025527954102 44366.39453125 23.92
12927 199.071990966797 12222.69140625 6.59
12928 205.992736816406 3278.5966796875 1.77
12929 223.020202636719 26858.08203125 14.48
12930 231.043319702148 73601.2578125 39.68
12931 266.384307861328 3563.92919921875 1.92
12932 289.0302734375 11603.8994140625 6.26
12933
12934 RECORD_TITLE: MZ:352.0628 | RT:112 | grpid:488 | file:1
12935 MS$FOCUSED_ION: PRECURSOR_M/Z 352.062774658203
12936 AC$CHROMATOGRAPHY: RETENTION_TIME 111.9768
12937 XCMS groupid (grpid): 488
12938 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
12939 PK$NUM_PEAK: 15
12940 PK$PEAK: m/z int. rel.int.
12941 120.081108093262 19078.498046875 10.28
12942 122.027221679688 185501.0625 100
12943 130.050018310547 29379.146484375 15.84
12944 153.066421508789 5158.45703125 2.78
12945 177.999237060547 24312.58984375 13.11
12946 181.060684204102 4925.0029296875 2.65
12947 185.037384033203 21461.77734375 11.57
12948 185.331466674805 2902.93334960938 1.56
12949 195.025527954102 44366.39453125 23.92
12950 199.071990966797 12222.69140625 6.59
12951 205.992736816406 3278.5966796875 1.77
12952 223.020202636719 26858.08203125 14.48
12953 231.043319702148 73601.2578125 39.68
12954 266.384307861328 3563.92919921875 1.92
12955 289.0302734375 11603.8994140625 6.26
12956
12957 RECORD_TITLE: MZ:352.0627 | RT:112 | grpid:488 | file:1
12958 MS$FOCUSED_ION: PRECURSOR_M/Z 352.062713623047
12959 AC$CHROMATOGRAPHY: RETENTION_TIME 111.9768
12960 XCMS groupid (grpid): 488
12961 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
12962 PK$NUM_PEAK: 35
12963 PK$PEAK: m/z int. rel.int.
12964 102.055229187012 4722.8076171875 0.84
12965 105.000785827637 15800.900390625 2.8
12966 105.97834777832 17800.91015625 3.16
12967 116.396644592285 3498.408203125 0.62
12968 117.996337890625 7769.0283203125 1.38
12969 120.080894470215 6512.705078125 1.15
12970 122.027236938477 564074.3125 100
12971 130.049987792969 84316.7265625 14.95
12972 131.99382019043 11271.279296875 2
12973 135.055648803711 4044.79541015625 0.72
12974 136.03955078125 4179.9140625 0.74
12975 150.202133178711 3440.91650390625 0.61
12976 153.065719604492 18287.017578125 3.24
12977 155.080963134766 7636.154296875 1.35
12978 158.050842285156 3772.55004882812 0.67
12979 159.02214050293 5027.697265625 0.89
12980 163.052917480469 3318.49438476562 0.59
12981 177.999053955078 89495.515625 15.87
12982 181.061218261719 16474.798828125 2.92
12983 185.037887573242 56057.61328125 9.94
12984 186.023223876953 3176.9111328125 0.56
12985 188.039093017578 6495.65380859375 1.15
12986 188.739837646484 3252.92578125 0.58
12987 195.025665283203 157800.6875 27.98
12988 199.07080078125 33190.67578125 5.88
12989 205.994338989258 18838.865234375 3.34
12990 223.020446777344 80813.4609375 14.33
12991 225.732055664062 3463.13916015625 0.61
12992 231.043182373047 218621.484375 38.76
12993 265.866455078125 3083.97045898438 0.55
12994 268.054565429688 3065.66162109375 0.54
12995 268.136962890625 4854.58837890625 0.86
12996 273.255798339844 3565.61401367188 0.63
12997 289.029968261719 27259.474609375 4.83
12998 335.035552978516 6442.3271484375 1.14
12999
13000 RECORD_TITLE: MZ:352.0627 | RT:112 | grpid:488 | file:1
13001 MS$FOCUSED_ION: PRECURSOR_M/Z 352.062713623047
13002 AC$CHROMATOGRAPHY: RETENTION_TIME 111.9768
13003 XCMS groupid (grpid): 488
13004 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
13005 PK$NUM_PEAK: 35
13006 PK$PEAK: m/z int. rel.int.
13007 102.055229187012 4722.8076171875 0.84
13008 105.000785827637 15800.900390625 2.8
13009 105.97834777832 17800.91015625 3.16
13010 116.396644592285 3498.408203125 0.62
13011 117.996337890625 7769.0283203125 1.38
13012 120.080894470215 6512.705078125 1.15
13013 122.027236938477 564074.3125 100
13014 130.049987792969 84316.7265625 14.95
13015 131.99382019043 11271.279296875 2
13016 135.055648803711 4044.79541015625 0.72
13017 136.03955078125 4179.9140625 0.74
13018 150.202133178711 3440.91650390625 0.61
13019 153.065719604492 18287.017578125 3.24
13020 155.080963134766 7636.154296875 1.35
13021 158.050842285156 3772.55004882812 0.67
13022 159.02214050293 5027.697265625 0.89
13023 163.052917480469 3318.49438476562 0.59
13024 177.999053955078 89495.515625 15.87
13025 181.061218261719 16474.798828125 2.92
13026 185.037887573242 56057.61328125 9.94
13027 186.023223876953 3176.9111328125 0.56
13028 188.039093017578 6495.65380859375 1.15
13029 188.739837646484 3252.92578125 0.58
13030 195.025665283203 157800.6875 27.98
13031 199.07080078125 33190.67578125 5.88
13032 205.994338989258 18838.865234375 3.34
13033 223.020446777344 80813.4609375 14.33
13034 225.732055664062 3463.13916015625 0.61
13035 231.043182373047 218621.484375 38.76
13036 265.866455078125 3083.97045898438 0.55
13037 268.054565429688 3065.66162109375 0.54
13038 268.136962890625 4854.58837890625 0.86
13039 273.255798339844 3565.61401367188 0.63
13040 289.029968261719 27259.474609375 4.83
13041 335.035552978516 6442.3271484375 1.14
13042
13043 RECORD_TITLE: MZ:352.0627 | RT:112 | grpid:488 | file:1
13044 MS$FOCUSED_ION: PRECURSOR_M/Z 352.062683105469
13045 AC$CHROMATOGRAPHY: RETENTION_TIME 111.9768
13046 XCMS groupid (grpid): 488
13047 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
13048 PK$NUM_PEAK: 25
13049 PK$PEAK: m/z int. rel.int.
13050 105.001022338867 16878.21875 3.05
13051 105.978256225586 14976.3896484375 2.7
13052 117.995971679688 5842.73388671875 1.06
13053 122.027229309082 553689.875 100
13054 129.065689086914 2971.30639648438 0.54
13055 130.049880981445 83805.9453125 15.14
13056 131.994094848633 4093.56030273438 0.74
13057 133.972747802734 3697.0498046875 0.67
13058 135.022979736328 3230.50903320312 0.58
13059 153.065582275391 20278.294921875 3.66
13060 155.081420898438 21746.15625 3.93
13061 166.086303710938 4086.62475585938 0.74
13062 177.999130249023 88241.15625 15.94
13063 181.060745239258 13317.8837890625 2.41
13064 185.037841796875 59416.45703125 10.73
13065 188.037109375 6249.49072265625 1.13
13066 195.025650024414 155284.953125 28.05
13067 199.071426391602 32412.115234375 5.85
13068 205.994262695312 13034.6630859375 2.35
13069 222.400329589844 3545.125 0.64
13070 223.020401000977 77419.640625 13.98
13071 231.043365478516 225713.1875 40.77
13072 289.031616210938 22910.04296875 4.14
13073 335.036315917969 5819.75537109375 1.05
13074 352.064575195312 6418.50390625 1.16
13075
13076 RECORD_TITLE: MZ:352.0627 | RT:112 | grpid:488 | file:1
13077 MS$FOCUSED_ION: PRECURSOR_M/Z 352.062683105469
13078 AC$CHROMATOGRAPHY: RETENTION_TIME 111.9768
13079 XCMS groupid (grpid): 488
13080 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
13081 PK$NUM_PEAK: 25
13082 PK$PEAK: m/z int. rel.int.
13083 105.001022338867 16878.21875 3.05
13084 105.978256225586 14976.3896484375 2.7
13085 117.995971679688 5842.73388671875 1.06
13086 122.027229309082 553689.875 100
13087 129.065689086914 2971.30639648438 0.54
13088 130.049880981445 83805.9453125 15.14
13089 131.994094848633 4093.56030273438 0.74
13090 133.972747802734 3697.0498046875 0.67
13091 135.022979736328 3230.50903320312 0.58
13092 153.065582275391 20278.294921875 3.66
13093 155.081420898438 21746.15625 3.93
13094 166.086303710938 4086.62475585938 0.74
13095 177.999130249023 88241.15625 15.94
13096 181.060745239258 13317.8837890625 2.41
13097 185.037841796875 59416.45703125 10.73
13098 188.037109375 6249.49072265625 1.13
13099 195.025650024414 155284.953125 28.05
13100 199.071426391602 32412.115234375 5.85
13101 205.994262695312 13034.6630859375 2.35
13102 222.400329589844 3545.125 0.64
13103 223.020401000977 77419.640625 13.98
13104 231.043365478516 225713.1875 40.77
13105 289.031616210938 22910.04296875 4.14
13106 335.036315917969 5819.75537109375 1.05
13107 352.064575195312 6418.50390625 1.16
13108
13109 RECORD_TITLE: MZ:352.0628 | RT:113 | grpid:488 | file:2
13110 MS$FOCUSED_ION: PRECURSOR_M/Z 352.062805175781
13111 AC$CHROMATOGRAPHY: RETENTION_TIME 112.983072
13112 XCMS groupid (grpid): 488
13113 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
13114 PK$NUM_PEAK: 20
13115 PK$PEAK: m/z int. rel.int.
13116 102.055809020996 3488.69775390625 2.01
13117 105.001289367676 3172.0302734375 1.83
13118 120.081344604492 5174.9794921875 2.99
13119 122.027267456055 173240.046875 100
13120 130.050262451172 24380.9296875 14.07
13121 153.065902709961 5584.37451171875 3.22
13122 155.081695556641 4715.3876953125 2.72
13123 177.998962402344 25719.4296875 14.85
13124 181.061157226562 4917.1591796875 2.84
13125 185.038070678711 16913.486328125 9.76
13126 193.171234130859 3459.65014648438 2
13127 195.025588989258 43515.31640625 25.12
13128 199.072082519531 12469.6591796875 7.2
13129 205.994735717773 3282.94262695312 1.9
13130 207.056091308594 3121.9892578125 1.8
13131 219.052001953125 3069.0732421875 1.77
13132 223.020645141602 27145.65625 15.67
13133 231.043487548828 60952.73828125 35.18
13134 239.811767578125 2879.68359375 1.66
13135 289.031402587891 3247.91870117188 1.87
13136
13137 RECORD_TITLE: MZ:352.0628 | RT:113 | grpid:488 | file:2
13138 MS$FOCUSED_ION: PRECURSOR_M/Z 352.062805175781
13139 AC$CHROMATOGRAPHY: RETENTION_TIME 112.983072
13140 XCMS groupid (grpid): 488
13141 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
13142 PK$NUM_PEAK: 20
13143 PK$PEAK: m/z int. rel.int.
13144 102.055809020996 3488.69775390625 2.01
13145 105.001289367676 3172.0302734375 1.83
13146 120.081344604492 5174.9794921875 2.99
13147 122.027267456055 173240.046875 100
13148 130.050262451172 24380.9296875 14.07
13149 153.065902709961 5584.37451171875 3.22
13150 155.081695556641 4715.3876953125 2.72
13151 177.998962402344 25719.4296875 14.85
13152 181.061157226562 4917.1591796875 2.84
13153 185.038070678711 16913.486328125 9.76
13154 193.171234130859 3459.65014648438 2
13155 195.025588989258 43515.31640625 25.12
13156 199.072082519531 12469.6591796875 7.2
13157 205.994735717773 3282.94262695312 1.9
13158 207.056091308594 3121.9892578125 1.8
13159 219.052001953125 3069.0732421875 1.77
13160 223.020645141602 27145.65625 15.67
13161 231.043487548828 60952.73828125 35.18
13162 239.811767578125 2879.68359375 1.66
13163 289.031402587891 3247.91870117188 1.87
13164
13165 RECORD_TITLE: MZ:352.0627 | RT:113 | grpid:488 | file:2
13166 MS$FOCUSED_ION: PRECURSOR_M/Z 352.062713623047
13167 AC$CHROMATOGRAPHY: RETENTION_TIME 112.983072
13168 XCMS groupid (grpid): 488
13169 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
13170 PK$NUM_PEAK: 31
13171 PK$PEAK: m/z int. rel.int.
13172 102.055686950684 3123.27661132812 0.57
13173 105.00089263916 16334.1181640625 2.96
13174 105.97827911377 13701.4443359375 2.48
13175 107.060569763184 3379.63403320312 0.61
13176 110.794692993164 2930.36987304688 0.53
13177 114.001327514648 3706.65502929688 0.67
13178 117.996109008789 6811.37060546875 1.23
13179 120.081069946289 21327.310546875 3.86
13180 122.027244567871 552551.75 100
13181 130.050048828125 92269.1328125 16.7
13182 131.994018554688 4202.173828125 0.76
13183 136.039596557617 4077.13916015625 0.74
13184 139.033081054688 4967.91162109375 0.9
13185 142.0498046875 3693.09912109375 0.67
13186 153.066314697266 30368.203125 5.5
13187 155.081451416016 13185.5791015625 2.39
13188 159.022216796875 3367.44384765625 0.61
13189 177.999038696289 79399.4765625 14.37
13190 181.061080932617 6710.4765625 1.21
13191 185.03791809082 60947.17578125 11.03
13192 188.038070678711 6062.611328125 1.1
13193 191.39208984375 3390.17407226562 0.61
13194 195.025695800781 165717.125 29.99
13195 199.071228027344 30928.1953125 5.6
13196 205.993865966797 5100.11669921875 0.92
13197 223.020721435547 73948.546875 13.38
13198 227.845550537109 4065.17114257812 0.74
13199 231.04328918457 206556.171875 37.38
13200 289.031494140625 22851.3984375 4.14
13201 335.037445068359 12120.7685546875 2.19
13202 352.063659667969 7431.4755859375 1.34
13203
13204 RECORD_TITLE: MZ:352.0627 | RT:113 | grpid:488 | file:2
13205 MS$FOCUSED_ION: PRECURSOR_M/Z 352.062713623047
13206 AC$CHROMATOGRAPHY: RETENTION_TIME 112.983072
13207 XCMS groupid (grpid): 488
13208 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
13209 PK$NUM_PEAK: 31
13210 PK$PEAK: m/z int. rel.int.
13211 102.055686950684 3123.27661132812 0.57
13212 105.00089263916 16334.1181640625 2.96
13213 105.97827911377 13701.4443359375 2.48
13214 107.060569763184 3379.63403320312 0.61
13215 110.794692993164 2930.36987304688 0.53
13216 114.001327514648 3706.65502929688 0.67
13217 117.996109008789 6811.37060546875 1.23
13218 120.081069946289 21327.310546875 3.86
13219 122.027244567871 552551.75 100
13220 130.050048828125 92269.1328125 16.7
13221 131.994018554688 4202.173828125 0.76
13222 136.039596557617 4077.13916015625 0.74
13223 139.033081054688 4967.91162109375 0.9
13224 142.0498046875 3693.09912109375 0.67
13225 153.066314697266 30368.203125 5.5
13226 155.081451416016 13185.5791015625 2.39
13227 159.022216796875 3367.44384765625 0.61
13228 177.999038696289 79399.4765625 14.37
13229 181.061080932617 6710.4765625 1.21
13230 185.03791809082 60947.17578125 11.03
13231 188.038070678711 6062.611328125 1.1
13232 191.39208984375 3390.17407226562 0.61
13233 195.025695800781 165717.125 29.99
13234 199.071228027344 30928.1953125 5.6
13235 205.993865966797 5100.11669921875 0.92
13236 223.020721435547 73948.546875 13.38
13237 227.845550537109 4065.17114257812 0.74
13238 231.04328918457 206556.171875 37.38
13239 289.031494140625 22851.3984375 4.14
13240 335.037445068359 12120.7685546875 2.19
13241 352.063659667969 7431.4755859375 1.34
13242
13243 RECORD_TITLE: MZ:352.0628 | RT:113 | grpid:488 | file:2
13244 MS$FOCUSED_ION: PRECURSOR_M/Z 352.062805175781
13245 AC$CHROMATOGRAPHY: RETENTION_TIME 112.983072
13246 XCMS groupid (grpid): 488
13247 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
13248 PK$NUM_PEAK: 36
13249 PK$PEAK: m/z int. rel.int.
13250 102.055854797363 3649.76806640625 0.58
13251 105.000877380371 21843.5390625 3.46
13252 105.978240966797 16929.64453125 2.68
13253 114.001205444336 5401.21875 0.86
13254 115.332595825195 2863.03198242188 0.45
13255 117.995635986328 6680.578125 1.06
13256 120.929710388184 3742.619140625 0.59
13257 122.027206420898 630996.9375 100
13258 129.065841674805 5467.37353515625 0.87
13259 130.049880981445 89298.3984375 14.15
13260 133.97380065918 3322.43627929688 0.53
13261 147.075790405273 4942.33642578125 0.78
13262 153.065643310547 21011.271484375 3.33
13263 155.081329345703 15498.724609375 2.46
13264 159.021469116211 4183.79833984375 0.66
13265 166.08576965332 15743.5009765625 2.5
13266 177.983581542969 3330.93481445312 0.53
13267 177.998931884766 94394.7890625 14.96
13268 181.060760498047 15360.033203125 2.43
13269 182.955184936523 3090.01928710938 0.49
13270 185.037857055664 70349.6328125 11.15
13271 186.021575927734 4229.36962890625 0.67
13272 187.98405456543 6168.15185546875 0.98
13273 195.025466918945 167427.5 26.53
13274 196.985687255859 3185.62890625 0.5
13275 199.071365356445 32294.99609375 5.12
13276 200.077560424805 3179.97290039062 0.5
13277 205.993682861328 15178.85546875 2.41
13278 214.438735961914 3650.29370117188 0.58
13279 223.020294189453 87710.484375 13.9
13280 231.043258666992 262361.84375 41.58
13281 255.20866394043 3233.64282226562 0.51
13282 265.029479980469 3436.65844726562 0.54
13283 289.030517578125 27543.3359375 4.37
13284 335.035797119141 7070.41162109375 1.12
13285 352.061828613281 13867.8984375 2.2
13286
13287 RECORD_TITLE: MZ:352.0628 | RT:113 | grpid:488 | file:2
13288 MS$FOCUSED_ION: PRECURSOR_M/Z 352.062805175781
13289 AC$CHROMATOGRAPHY: RETENTION_TIME 112.983072
13290 XCMS groupid (grpid): 488
13291 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
13292 PK$NUM_PEAK: 36
13293 PK$PEAK: m/z int. rel.int.
13294 102.055854797363 3649.76806640625 0.58
13295 105.000877380371 21843.5390625 3.46
13296 105.978240966797 16929.64453125 2.68
13297 114.001205444336 5401.21875 0.86
13298 115.332595825195 2863.03198242188 0.45
13299 117.995635986328 6680.578125 1.06
13300 120.929710388184 3742.619140625 0.59
13301 122.027206420898 630996.9375 100
13302 129.065841674805 5467.37353515625 0.87
13303 130.049880981445 89298.3984375 14.15
13304 133.97380065918 3322.43627929688 0.53
13305 147.075790405273 4942.33642578125 0.78
13306 153.065643310547 21011.271484375 3.33
13307 155.081329345703 15498.724609375 2.46
13308 159.021469116211 4183.79833984375 0.66
13309 166.08576965332 15743.5009765625 2.5
13310 177.983581542969 3330.93481445312 0.53
13311 177.998931884766 94394.7890625 14.96
13312 181.060760498047 15360.033203125 2.43
13313 182.955184936523 3090.01928710938 0.49
13314 185.037857055664 70349.6328125 11.15
13315 186.021575927734 4229.36962890625 0.67
13316 187.98405456543 6168.15185546875 0.98
13317 195.025466918945 167427.5 26.53
13318 196.985687255859 3185.62890625 0.5
13319 199.071365356445 32294.99609375 5.12
13320 200.077560424805 3179.97290039062 0.5
13321 205.993682861328 15178.85546875 2.41
13322 214.438735961914 3650.29370117188 0.58
13323 223.020294189453 87710.484375 13.9
13324 231.043258666992 262361.84375 41.58
13325 255.20866394043 3233.64282226562 0.51
13326 265.029479980469 3436.65844726562 0.54
13327 289.030517578125 27543.3359375 4.37
13328 335.035797119141 7070.41162109375 1.12
13329 352.061828613281 13867.8984375 2.2
13330
13331 RECORD_TITLE: MZ:361.1388 | RT:70.6 | grpid:513 | file:2
13332 MS$FOCUSED_ION: PRECURSOR_M/Z 361.138793945312
13333 AC$CHROMATOGRAPHY: RETENTION_TIME 70.627524
13334 XCMS groupid (grpid): 513
13335 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
13336 PK$NUM_PEAK: 85
13337 PK$PEAK: m/z int. rel.int.
13338 100.039588928223 12111.5087890625 4.67
13339 107.049629211426 4299.3486328125 1.66
13340 110.023170471191 3329.40161132812 1.28
13341 113.107704162598 4920.34716796875 1.9
13342 116.034530639648 7970.45849609375 3.07
13343 116.070457458496 3458.05126953125 1.33
13344 116.985847473145 13577.693359375 5.23
13345 119.073257446289 52893.6640625 20.38
13346 130.049957275391 20132.3671875 7.76
13347 133.060897827148 144405.171875 55.65
13348 134.060043334961 17994.07421875 6.93
13349 134.981506347656 5619.01708984375 2.17
13350 135.068466186523 23966.64453125 9.24
13351 138.09162902832 13969.5419921875 5.38
13352 141.102188110352 37979.31640625 14.64
13353 143.118011474609 7567.67626953125 2.92
13354 147.076568603516 19166.4921875 7.39
13355 155.117233276367 6305.6201171875 2.43
13356 156.102005004883 36974.96875 14.25
13357 158.013305664062 4057.98681640625 1.56
13358 165.070190429688 5099.9306640625 1.97
13359 171.112991333008 4143.97216796875 1.6
13360 173.092239379883 15757.16796875 6.07
13361 179.085739135742 7024.31640625 2.71
13362 181.064788818359 5268.21240234375 2.03
13363 181.101837158203 5614.2802734375 2.16
13364 183.080139160156 12282.3447265625 4.73
13365 183.113555908203 29961.744140625 11.55
13366 184.096923828125 12666.150390625 4.88
13367 187.075881958008 4133.361328125 1.59
13368 187.142852783203 3805.51293945312 1.47
13369 188.072265625 11006.3916015625 4.24
13370 189.04345703125 4672.9296875 1.8
13371 191.085342407227 22742.767578125 8.76
13372 194.072357177734 13341.189453125 5.14
13373 195.080490112305 19792.763671875 7.63
13374 201.123229980469 259482.203125 100
13375 207.079467773438 39465.890625 15.21
13376 209.096343994141 56589.96875 21.81
13377 210.067993164062 4406.3505859375 1.7
13378 211.075164794922 20023.044921875 7.72
13379 213.090377807617 18122.58984375 6.98
13380 215.072402954102 3484.60229492188 1.34
13381 219.079452514648 26361.6953125 10.16
13382 221.060852050781 4412.328125 1.7
13383 222.067459106445 3540.63134765625 1.36
13384 223.074951171875 7758.408203125 2.99
13385 224.080169677734 7972.9208984375 3.07
13386 225.090362548828 25800.498046875 9.94
13387 229.083251953125 3768.3662109375 1.45
13388 229.118225097656 12735.6953125 4.91
13389 230.070190429688 5364.15283203125 2.07
13390 235.075057983398 126146.1484375 48.61
13391 237.090667724609 160906.78125 62.01
13392 239.069213867188 14495.7060546875 5.59
13393 240.101486206055 4774.25439453125 1.84
13394 241.085800170898 46825.71484375 18.05
13395 242.118072509766 7847.2568359375 3.02
13396 248.07975769043 6978.37646484375 2.69
13397 248.124008178711 5452.91552734375 2.1
13398 252.101409912109 75927.4921875 29.26
13399 253.086029052734 26955.53515625 10.39
13400 254.117233276367 172187.140625 66.36
13401 256.095886230469 16094.89453125 6.2
13402 256.129821777344 3579.3505859375 1.38
13403 257.084869384766 6229.66748046875 2.4
13404 263.070037841797 17579.080078125 6.77
13405 265.084991455078 22661.712890625 8.73
13406 269.128082275391 117529.4765625 45.29
13407 270.111968994141 75451.5546875 29.08
13408 271.095458984375 6631.2734375 2.56
13409 280.097412109375 8217.4287109375 3.17
13410 281.081176757812 37312.8984375 14.38
13411 281.109832763672 5784.72265625 2.23
13412 283.096374511719 65701.3984375 25.32
13413 298.107055664062 90345.890625 34.82
13414 299.091491699219 8044.08203125 3.1
13415 300.122497558594 13494.9658203125 5.2
13416 315.133636474609 233480.109375 89.98
13417 316.117401123047 35712.87890625 13.76
13418 319.153411865234 5623.4189453125 2.17
13419 327.087799072266 5716.10888671875 2.2
13420 343.513671875 4175.29833984375 1.61
13421 344.113220214844 18831.517578125 7.26
13422 361.139190673828 34313.515625 13.22
13423
13424 RECORD_TITLE: MZ:361.1388 | RT:70.6 | grpid:513 | file:2
13425 MS$FOCUSED_ION: PRECURSOR_M/Z 361.138793945312
13426 AC$CHROMATOGRAPHY: RETENTION_TIME 70.627524
13427 XCMS groupid (grpid): 513
13428 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
13429 PK$NUM_PEAK: 85
13430 PK$PEAK: m/z int. rel.int.
13431 100.039588928223 12111.5087890625 4.67
13432 107.049629211426 4299.3486328125 1.66
13433 110.023170471191 3329.40161132812 1.28
13434 113.107704162598 4920.34716796875 1.9
13435 116.034530639648 7970.45849609375 3.07
13436 116.070457458496 3458.05126953125 1.33
13437 116.985847473145 13577.693359375 5.23
13438 119.073257446289 52893.6640625 20.38
13439 130.049957275391 20132.3671875 7.76
13440 133.060897827148 144405.171875 55.65
13441 134.060043334961 17994.07421875 6.93
13442 134.981506347656 5619.01708984375 2.17
13443 135.068466186523 23966.64453125 9.24
13444 138.09162902832 13969.5419921875 5.38
13445 141.102188110352 37979.31640625 14.64
13446 143.118011474609 7567.67626953125 2.92
13447 147.076568603516 19166.4921875 7.39
13448 155.117233276367 6305.6201171875 2.43
13449 156.102005004883 36974.96875 14.25
13450 158.013305664062 4057.98681640625 1.56
13451 165.070190429688 5099.9306640625 1.97
13452 171.112991333008 4143.97216796875 1.6
13453 173.092239379883 15757.16796875 6.07
13454 179.085739135742 7024.31640625 2.71
13455 181.064788818359 5268.21240234375 2.03
13456 181.101837158203 5614.2802734375 2.16
13457 183.080139160156 12282.3447265625 4.73
13458 183.113555908203 29961.744140625 11.55
13459 184.096923828125 12666.150390625 4.88
13460 187.075881958008 4133.361328125 1.59
13461 187.142852783203 3805.51293945312 1.47
13462 188.072265625 11006.3916015625 4.24
13463 189.04345703125 4672.9296875 1.8
13464 191.085342407227 22742.767578125 8.76
13465 194.072357177734 13341.189453125 5.14
13466 195.080490112305 19792.763671875 7.63
13467 201.123229980469 259482.203125 100
13468 207.079467773438 39465.890625 15.21
13469 209.096343994141 56589.96875 21.81
13470 210.067993164062 4406.3505859375 1.7
13471 211.075164794922 20023.044921875 7.72
13472 213.090377807617 18122.58984375 6.98
13473 215.072402954102 3484.60229492188 1.34
13474 219.079452514648 26361.6953125 10.16
13475 221.060852050781 4412.328125 1.7
13476 222.067459106445 3540.63134765625 1.36
13477 223.074951171875 7758.408203125 2.99
13478 224.080169677734 7972.9208984375 3.07
13479 225.090362548828 25800.498046875 9.94
13480 229.083251953125 3768.3662109375 1.45
13481 229.118225097656 12735.6953125 4.91
13482 230.070190429688 5364.15283203125 2.07
13483 235.075057983398 126146.1484375 48.61
13484 237.090667724609 160906.78125 62.01
13485 239.069213867188 14495.7060546875 5.59
13486 240.101486206055 4774.25439453125 1.84
13487 241.085800170898 46825.71484375 18.05
13488 242.118072509766 7847.2568359375 3.02
13489 248.07975769043 6978.37646484375 2.69
13490 248.124008178711 5452.91552734375 2.1
13491 252.101409912109 75927.4921875 29.26
13492 253.086029052734 26955.53515625 10.39
13493 254.117233276367 172187.140625 66.36
13494 256.095886230469 16094.89453125 6.2
13495 256.129821777344 3579.3505859375 1.38
13496 257.084869384766 6229.66748046875 2.4
13497 263.070037841797 17579.080078125 6.77
13498 265.084991455078 22661.712890625 8.73
13499 269.128082275391 117529.4765625 45.29
13500 270.111968994141 75451.5546875 29.08
13501 271.095458984375 6631.2734375 2.56
13502 280.097412109375 8217.4287109375 3.17
13503 281.081176757812 37312.8984375 14.38
13504 281.109832763672 5784.72265625 2.23
13505 283.096374511719 65701.3984375 25.32
13506 298.107055664062 90345.890625 34.82
13507 299.091491699219 8044.08203125 3.1
13508 300.122497558594 13494.9658203125 5.2
13509 315.133636474609 233480.109375 89.98
13510 316.117401123047 35712.87890625 13.76
13511 319.153411865234 5623.4189453125 2.17
13512 327.087799072266 5716.10888671875 2.2
13513 343.513671875 4175.29833984375 1.61
13514 344.113220214844 18831.517578125 7.26
13515 361.139190673828 34313.515625 13.22
13516
13517 RECORD_TITLE: MZ:362.1915 | RT:64.4 | grpid:515 | file:1
13518 MS$FOCUSED_ION: PRECURSOR_M/Z 362.191528320312
13519 AC$CHROMATOGRAPHY: RETENTION_TIME 64.427298
13520 XCMS groupid (grpid): 515
13521 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
13522 PK$NUM_PEAK: 22
13523 PK$PEAK: m/z int. rel.int.
13524 101.071388244629 21639.20703125 9.06
13525 102.055397033691 133039.03125 55.68
13526 116.071235656738 6828.22705078125 2.86
13527 120.065765380859 130987.234375 54.82
13528 130.049713134766 31560.658203125 13.21
13529 140.070526123047 15615.0712890625 6.53
13530 142.122497558594 13916.052734375 5.82
13531 143.118209838867 4314.509765625 1.81
13532 148.060516357422 5441.0029296875 2.28
13533 152.107116699219 3751.466796875 1.57
13534 170.118240356445 7807.0615234375 3.27
13535 185.091690063477 8135.95751953125 3.4
13536 187.144073486328 89444.8828125 37.43
13537 197.12907409668 16842.912109375 7.05
13538 213.086547851562 81395.3359375 34.06
13539 215.138931274414 238945.421875 100
13540 231.097518920898 133114.140625 55.71
13541 231.119110107422 6252.3779296875 2.62
13542 231.143371582031 3239.9208984375 1.36
13543 242.328903198242 3181.13891601562 1.33
13544 243.133941650391 51009.54296875 21.35
13545 249.107604980469 10863.931640625 4.55
13546
13547 RECORD_TITLE: MZ:362.1915 | RT:64.4 | grpid:515 | file:1
13548 MS$FOCUSED_ION: PRECURSOR_M/Z 362.191528320312
13549 AC$CHROMATOGRAPHY: RETENTION_TIME 64.427298
13550 XCMS groupid (grpid): 515
13551 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
13552 PK$NUM_PEAK: 22
13553 PK$PEAK: m/z int. rel.int.
13554 101.071388244629 21639.20703125 9.06
13555 102.055397033691 133039.03125 55.68
13556 116.071235656738 6828.22705078125 2.86
13557 120.065765380859 130987.234375 54.82
13558 130.049713134766 31560.658203125 13.21
13559 140.070526123047 15615.0712890625 6.53
13560 142.122497558594 13916.052734375 5.82
13561 143.118209838867 4314.509765625 1.81
13562 148.060516357422 5441.0029296875 2.28
13563 152.107116699219 3751.466796875 1.57
13564 170.118240356445 7807.0615234375 3.27
13565 185.091690063477 8135.95751953125 3.4
13566 187.144073486328 89444.8828125 37.43
13567 197.12907409668 16842.912109375 7.05
13568 213.086547851562 81395.3359375 34.06
13569 215.138931274414 238945.421875 100
13570 231.097518920898 133114.140625 55.71
13571 231.119110107422 6252.3779296875 2.62
13572 231.143371582031 3239.9208984375 1.36
13573 242.328903198242 3181.13891601562 1.33
13574 243.133941650391 51009.54296875 21.35
13575 249.107604980469 10863.931640625 4.55
13576
13577 RECORD_TITLE: MZ:362.1916 | RT:64.6 | grpid:515 | file:2
13578 MS$FOCUSED_ION: PRECURSOR_M/Z 362.191558837891
13579 AC$CHROMATOGRAPHY: RETENTION_TIME 64.605414
13580 XCMS groupid (grpid): 515
13581 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
13582 PK$NUM_PEAK: 23
13583 PK$PEAK: m/z int. rel.int.
13584 101.071533203125 23256.37109375 10.65
13585 102.055381774902 115666.3125 52.95
13586 102.202476501465 3083.99609375 1.41
13587 112.222114562988 3042.80590820312 1.39
13588 120.065734863281 114522.625 52.43
13589 130.049789428711 26518.72265625 12.14
13590 140.070571899414 7451.79248046875 3.41
13591 142.122940063477 7232.68798828125 3.31
13592 143.118148803711 3675.23364257812 1.68
13593 148.061187744141 3808.60888671875 1.74
13594 154.849838256836 3004.14819335938 1.38
13595 169.06022644043 4621.54443359375 2.12
13596 170.11799621582 7611.681640625 3.48
13597 185.09260559082 14651.4423828125 6.71
13598 187.144119262695 120661.4453125 55.24
13599 197.129119873047 4198.2587890625 1.92
13600 202.127166748047 4503.88134765625 2.06
13601 213.087188720703 76450.1328125 35
13602 215.139007568359 218449.890625 100
13603 231.097671508789 138937.828125 63.6
13604 238.79475402832 3672.62524414062 1.68
13605 243.133636474609 43720.54296875 20.01
13606 249.107650756836 5705.5341796875 2.61
13607
13608 RECORD_TITLE: MZ:362.1916 | RT:64.6 | grpid:515 | file:2
13609 MS$FOCUSED_ION: PRECURSOR_M/Z 362.191558837891
13610 AC$CHROMATOGRAPHY: RETENTION_TIME 64.605414
13611 XCMS groupid (grpid): 515
13612 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
13613 PK$NUM_PEAK: 23
13614 PK$PEAK: m/z int. rel.int.
13615 101.071533203125 23256.37109375 10.65
13616 102.055381774902 115666.3125 52.95
13617 102.202476501465 3083.99609375 1.41
13618 112.222114562988 3042.80590820312 1.39
13619 120.065734863281 114522.625 52.43
13620 130.049789428711 26518.72265625 12.14
13621 140.070571899414 7451.79248046875 3.41
13622 142.122940063477 7232.68798828125 3.31
13623 143.118148803711 3675.23364257812 1.68
13624 148.061187744141 3808.60888671875 1.74
13625 154.849838256836 3004.14819335938 1.38
13626 169.06022644043 4621.54443359375 2.12
13627 170.11799621582 7611.681640625 3.48
13628 185.09260559082 14651.4423828125 6.71
13629 187.144119262695 120661.4453125 55.24
13630 197.129119873047 4198.2587890625 1.92
13631 202.127166748047 4503.88134765625 2.06
13632 213.087188720703 76450.1328125 35
13633 215.139007568359 218449.890625 100
13634 231.097671508789 138937.828125 63.6
13635 238.79475402832 3672.62524414062 1.68
13636 243.133636474609 43720.54296875 20.01
13637 249.107650756836 5705.5341796875 2.61
13638
13639 RECORD_TITLE: MZ:363.1544 | RT:69.7 | grpid:518 | file:1
13640 MS$FOCUSED_ION: PRECURSOR_M/Z 363.154388427734
13641 AC$CHROMATOGRAPHY: RETENTION_TIME 69.717042
13642 XCMS groupid (grpid): 518
13643 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
13644 PK$NUM_PEAK: 16
13645 PK$PEAK: m/z int. rel.int.
13646 100.313407897949 6955.587890625 2.46
13647 103.620452880859 5906.43359375 2.09
13648 119.049507141113 64195.64453125 22.75
13649 120.495223999023 7355.00341796875 2.61
13650 123.044242858887 108771.984375 38.55
13651 124.589881896973 6751.685546875 2.39
13652 136.07568359375 282181.375 100
13653 147.044326782227 42011.515625 14.89
13654 152.85009765625 7171.017578125 2.54
13655 165.054473876953 226403.40625 80.23
13656 182.081146240234 131745.671875 46.69
13657 215.139312744141 8024.45361328125 2.84
13658 216.112915039062 12873.7197265625 4.56
13659 216.143112182617 8893.7724609375 3.15
13660 351.907806396484 7833.08203125 2.78
13661 362.615264892578 7317.9599609375 2.59
13662
13663 RECORD_TITLE: MZ:363.1544 | RT:69.7 | grpid:518 | file:1
13664 MS$FOCUSED_ION: PRECURSOR_M/Z 363.154388427734
13665 AC$CHROMATOGRAPHY: RETENTION_TIME 69.717042
13666 XCMS groupid (grpid): 518
13667 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
13668 PK$NUM_PEAK: 16
13669 PK$PEAK: m/z int. rel.int.
13670 100.313407897949 6955.587890625 2.46
13671 103.620452880859 5906.43359375 2.09
13672 119.049507141113 64195.64453125 22.75
13673 120.495223999023 7355.00341796875 2.61
13674 123.044242858887 108771.984375 38.55
13675 124.589881896973 6751.685546875 2.39
13676 136.07568359375 282181.375 100
13677 147.044326782227 42011.515625 14.89
13678 152.85009765625 7171.017578125 2.54
13679 165.054473876953 226403.40625 80.23
13680 182.081146240234 131745.671875 46.69
13681 215.139312744141 8024.45361328125 2.84
13682 216.112915039062 12873.7197265625 4.56
13683 216.143112182617 8893.7724609375 3.15
13684 351.907806396484 7833.08203125 2.78
13685 362.615264892578 7317.9599609375 2.59
13686
13687 RECORD_TITLE: MZ:363.1544 | RT:69.9 | grpid:518 | file:2
13688 MS$FOCUSED_ION: PRECURSOR_M/Z 363.154418945312
13689 AC$CHROMATOGRAPHY: RETENTION_TIME 69.864534
13690 XCMS groupid (grpid): 518
13691 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
13692 PK$NUM_PEAK: 11
13693 PK$PEAK: m/z int. rel.int.
13694 119.049301147461 70843.5703125 21.06
13695 123.044204711914 107581.75 31.98
13696 136.075729370117 336374.71875 100
13697 147.043792724609 58860.91015625 17.5
13698 160.325393676758 6112.95458984375 1.82
13699 165.054580688477 253447.875 75.35
13700 182.081176757812 139566.4375 41.49
13701 216.112899780273 12982.91015625 3.86
13702 246.316207885742 5869.61962890625 1.74
13703 253.381652832031 6271.06396484375 1.86
13704 353.493469238281 6891.98046875 2.05
13705
13706 RECORD_TITLE: MZ:363.1544 | RT:69.9 | grpid:518 | file:2
13707 MS$FOCUSED_ION: PRECURSOR_M/Z 363.154418945312
13708 AC$CHROMATOGRAPHY: RETENTION_TIME 69.864534
13709 XCMS groupid (grpid): 518
13710 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
13711 PK$NUM_PEAK: 11
13712 PK$PEAK: m/z int. rel.int.
13713 119.049301147461 70843.5703125 21.06
13714 123.044204711914 107581.75 31.98
13715 136.075729370117 336374.71875 100
13716 147.043792724609 58860.91015625 17.5
13717 160.325393676758 6112.95458984375 1.82
13718 165.054580688477 253447.875 75.35
13719 182.081176757812 139566.4375 41.49
13720 216.112899780273 12982.91015625 3.86
13721 246.316207885742 5869.61962890625 1.74
13722 253.381652832031 6271.06396484375 1.86
13723 353.493469238281 6891.98046875 2.05
13724
13725 RECORD_TITLE: MZ:369.1532 | RT:118.6 | grpid:537 | file:2
13726 MS$FOCUSED_ION: PRECURSOR_M/Z 369.153167724609
13727 AC$CHROMATOGRAPHY: RETENTION_TIME 118.583076
13728 XCMS groupid (grpid): 537
13729 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
13730 PK$NUM_PEAK: 5
13731 PK$PEAK: m/z int. rel.int.
13732 113.532424926758 3462.68896484375 100
13733 117.139762878418 3111.56518554688 89.86
13734 141.411041259766 2775.10424804688 80.14
13735 159.579620361328 2853.40112304688 82.4
13736 165.934677124023 2729.99926757812 78.84
13737
13738 RECORD_TITLE: MZ:369.1532 | RT:118.6 | grpid:537 | file:2
13739 MS$FOCUSED_ION: PRECURSOR_M/Z 369.153167724609
13740 AC$CHROMATOGRAPHY: RETENTION_TIME 118.583076
13741 XCMS groupid (grpid): 537
13742 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
13743 PK$NUM_PEAK: 5
13744 PK$PEAK: m/z int. rel.int.
13745 113.532424926758 3462.68896484375 100
13746 117.139762878418 3111.56518554688 89.86
13747 141.411041259766 2775.10424804688 80.14
13748 159.579620361328 2853.40112304688 82.4
13749 165.934677124023 2729.99926757812 78.84
13750
13751 RECORD_TITLE: MZ:375.187 | RT:51.4 | grpid:551 | file:1
13752 MS$FOCUSED_ION: PRECURSOR_M/Z 375.186950683594
13753 AC$CHROMATOGRAPHY: RETENTION_TIME 51.4450368
13754 XCMS groupid (grpid): 551
13755 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
13756 PK$NUM_PEAK: 50
13757 PK$PEAK: m/z int. rel.int.
13758 100.076095581055 4223.64794921875 4.36
13759 101.071472167969 21753.130859375 22.46
13760 102.05534362793 50440.78515625 52.09
13761 104.107398986816 47196.265625 48.74
13762 110.071533203125 4443.50634765625 4.59
13763 114.220054626465 3213.68969726562 3.32
13764 116.03475189209 3196.67041015625 3.3
13765 117.10285949707 6121.96826171875 6.32
13766 118.086524963379 16217.6533203125 16.75
13767 125.000282287598 4368.8046875 4.51
13768 129.066009521484 18012.0546875 18.6
13769 130.04997253418 96838.703125 100
13770 131.118087768555 30397.408203125 31.39
13771 133.060836791992 42877.125 44.28
13772 134.044967651367 25365.65625 26.19
13773 136.039611816406 6515.16064453125 6.73
13774 138.091369628906 3963.455078125 4.09
13775 143.117660522461 5864.55029296875 6.06
13776 147.076461791992 83375.03125 86.1
13777 148.060440063477 4635.51611328125 4.79
13778 155.119430541992 3334.48291015625 3.44
13779 164.034393310547 3762.45971679688 3.89
13780 164.381927490234 3705.5849609375 3.83
13781 166.0859375 4228.22705078125 4.37
13782 181.061477661133 14544.5859375 15.02
13783 182.04411315918 6492.74072265625 6.7
13784 183.112747192383 29747.037109375 30.72
13785 185.055297851562 24151.201171875 24.94
13786 198.331970214844 3221.4560546875 3.33
13787 199.071716308594 14453.8740234375 14.93
13788 200.139236450195 3833.708984375 3.96
13789 201.123031616211 18128.90625 18.72
13790 203.066314697266 4801.16162109375 4.96
13791 208.095642089844 3760.8115234375 3.88
13792 211.107971191406 7991.84423828125 8.25
13793 212.102645874023 5930.95654296875 6.12
13794 215.139282226562 55490.32421875 57.3
13795 226.081939697266 4692.2080078125 4.85
13796 227.065521240234 37410.06640625 38.63
13797 228.050659179688 14183.55078125 14.65
13798 228.134399414062 6825.44970703125 7.05
13799 229.118469238281 7639.3603515625 7.89
13800 243.133636474609 7807.06982421875 8.06
13801 244.092803955078 65509.8125 67.65
13802 245.076950073242 60033.27734375 61.99
13803 258.109161376953 24368.775390625 25.16
13804 262.103668212891 46524.4375 48.04
13805 272.436157226562 3337.22216796875 3.45
13806 370.075561523438 3940.17626953125 4.07
13807 375.224273681641 4388.0234375 4.53
13808
13809 RECORD_TITLE: MZ:375.187 | RT:51.4 | grpid:551 | file:1
13810 MS$FOCUSED_ION: PRECURSOR_M/Z 375.186950683594
13811 AC$CHROMATOGRAPHY: RETENTION_TIME 51.4450368
13812 XCMS groupid (grpid): 551
13813 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
13814 PK$NUM_PEAK: 50
13815 PK$PEAK: m/z int. rel.int.
13816 100.076095581055 4223.64794921875 4.36
13817 101.071472167969 21753.130859375 22.46
13818 102.05534362793 50440.78515625 52.09
13819 104.107398986816 47196.265625 48.74
13820 110.071533203125 4443.50634765625 4.59
13821 114.220054626465 3213.68969726562 3.32
13822 116.03475189209 3196.67041015625 3.3
13823 117.10285949707 6121.96826171875 6.32
13824 118.086524963379 16217.6533203125 16.75
13825 125.000282287598 4368.8046875 4.51
13826 129.066009521484 18012.0546875 18.6
13827 130.04997253418 96838.703125 100
13828 131.118087768555 30397.408203125 31.39
13829 133.060836791992 42877.125 44.28
13830 134.044967651367 25365.65625 26.19
13831 136.039611816406 6515.16064453125 6.73
13832 138.091369628906 3963.455078125 4.09
13833 143.117660522461 5864.55029296875 6.06
13834 147.076461791992 83375.03125 86.1
13835 148.060440063477 4635.51611328125 4.79
13836 155.119430541992 3334.48291015625 3.44
13837 164.034393310547 3762.45971679688 3.89
13838 164.381927490234 3705.5849609375 3.83
13839 166.0859375 4228.22705078125 4.37
13840 181.061477661133 14544.5859375 15.02
13841 182.04411315918 6492.74072265625 6.7
13842 183.112747192383 29747.037109375 30.72
13843 185.055297851562 24151.201171875 24.94
13844 198.331970214844 3221.4560546875 3.33
13845 199.071716308594 14453.8740234375 14.93
13846 200.139236450195 3833.708984375 3.96
13847 201.123031616211 18128.90625 18.72
13848 203.066314697266 4801.16162109375 4.96
13849 208.095642089844 3760.8115234375 3.88
13850 211.107971191406 7991.84423828125 8.25
13851 212.102645874023 5930.95654296875 6.12
13852 215.139282226562 55490.32421875 57.3
13853 226.081939697266 4692.2080078125 4.85
13854 227.065521240234 37410.06640625 38.63
13855 228.050659179688 14183.55078125 14.65
13856 228.134399414062 6825.44970703125 7.05
13857 229.118469238281 7639.3603515625 7.89
13858 243.133636474609 7807.06982421875 8.06
13859 244.092803955078 65509.8125 67.65
13860 245.076950073242 60033.27734375 61.99
13861 258.109161376953 24368.775390625 25.16
13862 262.103668212891 46524.4375 48.04
13863 272.436157226562 3337.22216796875 3.45
13864 370.075561523438 3940.17626953125 4.07
13865 375.224273681641 4388.0234375 4.53
13866
13867 RECORD_TITLE: MZ:375.1869 | RT:51.4 | grpid:551 | file:1
13868 MS$FOCUSED_ION: PRECURSOR_M/Z 375.186920166016
13869 AC$CHROMATOGRAPHY: RETENTION_TIME 51.4450368
13870 XCMS groupid (grpid): 551
13871 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
13872 PK$NUM_PEAK: 28
13873 PK$PEAK: m/z int. rel.int.
13874 101.071304321289 13405.0166015625 28.5
13875 102.055389404297 19491.09765625 41.43
13876 126.051071166992 4171.79443359375 8.87
13877 127.086936950684 4155.50390625 8.83
13878 129.065826416016 15192.037109375 32.3
13879 129.102432250977 36090.9375 76.72
13880 130.050155639648 14107.7939453125 29.99
13881 130.086456298828 5143.40380859375 10.93
13882 133.060531616211 3740.83520507812 7.95
13883 133.748901367188 3103.28247070312 6.6
13884 136.477584838867 2915.7431640625 6.2
13885 142.086364746094 11976.8603515625 25.46
13886 147.076400756836 14603.099609375 31.04
13887 147.112686157227 3662.69213867188 7.79
13888 148.060699462891 4209.46484375 8.95
13889 157.096740722656 4075.9033203125 8.66
13890 161.092239379883 16693.763671875 35.49
13891 169.096786499023 3817.42358398438 8.12
13892 183.113143920898 3643.21752929688 7.74
13893 187.107543945312 47041.01953125 100
13894 196.144393920898 5677.302734375 12.07
13895 197.129669189453 5822.47900390625 12.38
13896 201.085174560547 4060.3837890625 8.63
13897 215.102142333984 6438.32470703125 13.69
13898 229.118667602539 6618.83740234375 14.07
13899 240.494720458984 3784.48266601562 8.05
13900 262.140350341797 4663.99462890625 9.91
13901 321.792327880859 3053.04345703125 6.49
13902
13903 RECORD_TITLE: MZ:375.1869 | RT:51.4 | grpid:551 | file:1
13904 MS$FOCUSED_ION: PRECURSOR_M/Z 375.186920166016
13905 AC$CHROMATOGRAPHY: RETENTION_TIME 51.4450368
13906 XCMS groupid (grpid): 551
13907 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
13908 PK$NUM_PEAK: 28
13909 PK$PEAK: m/z int. rel.int.
13910 101.071304321289 13405.0166015625 28.5
13911 102.055389404297 19491.09765625 41.43
13912 126.051071166992 4171.79443359375 8.87
13913 127.086936950684 4155.50390625 8.83
13914 129.065826416016 15192.037109375 32.3
13915 129.102432250977 36090.9375 76.72
13916 130.050155639648 14107.7939453125 29.99
13917 130.086456298828 5143.40380859375 10.93
13918 133.060531616211 3740.83520507812 7.95
13919 133.748901367188 3103.28247070312 6.6
13920 136.477584838867 2915.7431640625 6.2
13921 142.086364746094 11976.8603515625 25.46
13922 147.076400756836 14603.099609375 31.04
13923 147.112686157227 3662.69213867188 7.79
13924 148.060699462891 4209.46484375 8.95
13925 157.096740722656 4075.9033203125 8.66
13926 161.092239379883 16693.763671875 35.49
13927 169.096786499023 3817.42358398438 8.12
13928 183.113143920898 3643.21752929688 7.74
13929 187.107543945312 47041.01953125 100
13930 196.144393920898 5677.302734375 12.07
13931 197.129669189453 5822.47900390625 12.38
13932 201.085174560547 4060.3837890625 8.63
13933 215.102142333984 6438.32470703125 13.69
13934 229.118667602539 6618.83740234375 14.07
13935 240.494720458984 3784.48266601562 8.05
13936 262.140350341797 4663.99462890625 9.91
13937 321.792327880859 3053.04345703125 6.49
13938
13939 RECORD_TITLE: MZ:375.1868 | RT:51.4 | grpid:551 | file:1
13940 MS$FOCUSED_ION: PRECURSOR_M/Z 375.186798095703
13941 AC$CHROMATOGRAPHY: RETENTION_TIME 51.4450368
13942 XCMS groupid (grpid): 551
13943 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
13944 PK$NUM_PEAK: 27
13945 PK$PEAK: m/z int. rel.int.
13946 101.071662902832 7235.58251953125 8.78
13947 102.055229187012 3702.70141601562 4.49
13948 116.034523010254 3825.14379882812 4.64
13949 129.066223144531 7568.572265625 9.18
13950 129.102279663086 13733.3583984375 16.66
13951 130.050003051758 82448.1328125 100
13952 133.060943603516 20847.146484375 25.29
13953 134.045013427734 12797.107421875 15.52
13954 141.102508544922 14515.962890625 17.61
13955 147.076507568359 61882.99609375 75.06
13956 155.081802368164 3509.08325195312 4.26
13957 156.102432250977 18153.47265625 22.02
13958 157.133453369141 3894.947265625 4.72
13959 183.113586425781 5449.728515625 6.61
13960 196.144577026367 21009.4921875 25.48
13961 197.128768920898 28767.4609375 34.89
13962 200.139434814453 7096.67138671875 8.61
13963 201.123565673828 49165.94921875 59.63
13964 203.103652954102 4732.1533203125 5.74
13965 214.155090332031 5978.4208984375 7.25
13966 215.139877319336 6628.8154296875 8.04
13967 217.117294311523 3826.9013671875 4.64
13968 225.12385559082 3641.32592773438 4.42
13969 234.206329345703 3346.74047851562 4.06
13970 245.759918212891 3233.3134765625 3.92
13971 297.19140625 3240.19653320312 3.93
13972 357.176025390625 3393.13134765625 4.12
13973
13974 RECORD_TITLE: MZ:375.1868 | RT:51.4 | grpid:551 | file:1
13975 MS$FOCUSED_ION: PRECURSOR_M/Z 375.186798095703
13976 AC$CHROMATOGRAPHY: RETENTION_TIME 51.4450368
13977 XCMS groupid (grpid): 551
13978 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
13979 PK$NUM_PEAK: 27
13980 PK$PEAK: m/z int. rel.int.
13981 101.071662902832 7235.58251953125 8.78
13982 102.055229187012 3702.70141601562 4.49
13983 116.034523010254 3825.14379882812 4.64
13984 129.066223144531 7568.572265625 9.18
13985 129.102279663086 13733.3583984375 16.66
13986 130.050003051758 82448.1328125 100
13987 133.060943603516 20847.146484375 25.29
13988 134.045013427734 12797.107421875 15.52
13989 141.102508544922 14515.962890625 17.61
13990 147.076507568359 61882.99609375 75.06
13991 155.081802368164 3509.08325195312 4.26
13992 156.102432250977 18153.47265625 22.02
13993 157.133453369141 3894.947265625 4.72
13994 183.113586425781 5449.728515625 6.61
13995 196.144577026367 21009.4921875 25.48
13996 197.128768920898 28767.4609375 34.89
13997 200.139434814453 7096.67138671875 8.61
13998 201.123565673828 49165.94921875 59.63
13999 203.103652954102 4732.1533203125 5.74
14000 214.155090332031 5978.4208984375 7.25
14001 215.139877319336 6628.8154296875 8.04
14002 217.117294311523 3826.9013671875 4.64
14003 225.12385559082 3641.32592773438 4.42
14004 234.206329345703 3346.74047851562 4.06
14005 245.759918212891 3233.3134765625 3.92
14006 297.19140625 3240.19653320312 3.93
14007 357.176025390625 3393.13134765625 4.12
14008
14009 RECORD_TITLE: MZ:375.1868 | RT:51.4 | grpid:551 | file:1
14010 MS$FOCUSED_ION: PRECURSOR_M/Z 375.186767578125
14011 AC$CHROMATOGRAPHY: RETENTION_TIME 51.4450368
14012 XCMS groupid (grpid): 551
14013 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
14014 PK$NUM_PEAK: 29
14015 PK$PEAK: m/z int. rel.int.
14016 101.0712890625 5265.71240234375 6.76
14017 102.055549621582 6733.99853515625 8.64
14018 116.071098327637 3403.06518554688 4.37
14019 129.10221862793 4393.14404296875 5.64
14020 130.049911499023 77895.6953125 100
14021 130.086135864258 6250.83642578125 8.02
14022 133.060974121094 5879.931640625 7.55
14023 138.09130859375 3444.41015625 4.42
14024 141.102310180664 12162.4892578125 15.61
14025 147.076370239258 52952.89453125 67.98
14026 147.11344909668 6948.26806640625 8.92
14027 147.126327514648 3273.52368164062 4.2
14028 155.118515014648 5058.38232421875 6.49
14029 156.1015625 6040.298828125 7.75
14030 178.636856079102 3053.07153320312 3.92
14031 183.113235473633 6492.693359375 8.34
14032 184.096328735352 3400.216796875 4.37
14033 187.106948852539 25908.306640625 33.26
14034 197.12858581543 4621.884765625 5.93
14035 200.139801025391 11779.333984375 15.12
14036 201.123291015625 63128.55078125 81.04
14037 215.138671875 6260.9638671875 8.04
14038 220.134338378906 3489.81298828125 4.48
14039 222.507934570312 3023.87622070312 3.88
14040 260.195739746094 3417.94409179688 4.39
14041 276.167419433594 6337.36376953125 8.14
14042 277.587829589844 3088.16577148438 3.96
14043 358.832824707031 4319.5302734375 5.55
14044 375.233215332031 6744.6181640625 8.66
14045
14046 RECORD_TITLE: MZ:375.1868 | RT:51.4 | grpid:551 | file:1
14047 MS$FOCUSED_ION: PRECURSOR_M/Z 375.186767578125
14048 AC$CHROMATOGRAPHY: RETENTION_TIME 51.4450368
14049 XCMS groupid (grpid): 551
14050 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
14051 PK$NUM_PEAK: 29
14052 PK$PEAK: m/z int. rel.int.
14053 101.0712890625 5265.71240234375 6.76
14054 102.055549621582 6733.99853515625 8.64
14055 116.071098327637 3403.06518554688 4.37
14056 129.10221862793 4393.14404296875 5.64
14057 130.049911499023 77895.6953125 100
14058 130.086135864258 6250.83642578125 8.02
14059 133.060974121094 5879.931640625 7.55
14060 138.09130859375 3444.41015625 4.42
14061 141.102310180664 12162.4892578125 15.61
14062 147.076370239258 52952.89453125 67.98
14063 147.11344909668 6948.26806640625 8.92
14064 147.126327514648 3273.52368164062 4.2
14065 155.118515014648 5058.38232421875 6.49
14066 156.1015625 6040.298828125 7.75
14067 178.636856079102 3053.07153320312 3.92
14068 183.113235473633 6492.693359375 8.34
14069 184.096328735352 3400.216796875 4.37
14070 187.106948852539 25908.306640625 33.26
14071 197.12858581543 4621.884765625 5.93
14072 200.139801025391 11779.333984375 15.12
14073 201.123291015625 63128.55078125 81.04
14074 215.138671875 6260.9638671875 8.04
14075 220.134338378906 3489.81298828125 4.48
14076 222.507934570312 3023.87622070312 3.88
14077 260.195739746094 3417.94409179688 4.39
14078 276.167419433594 6337.36376953125 8.14
14079 277.587829589844 3088.16577148438 3.96
14080 358.832824707031 4319.5302734375 5.55
14081 375.233215332031 6744.6181640625 8.66
14082
14083 RECORD_TITLE: MZ:375.1871 | RT:51.6 | grpid:551 | file:2
14084 MS$FOCUSED_ION: PRECURSOR_M/Z 375.187103271484
14085 AC$CHROMATOGRAPHY: RETENTION_TIME 51.5947758
14086 XCMS groupid (grpid): 551
14087 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
14088 PK$NUM_PEAK: 36
14089 PK$PEAK: m/z int. rel.int.
14090 100.076263427734 7546.1962890625 5.66
14091 100.76611328125 3715.6416015625 2.79
14092 101.071418762207 15644.1923828125 11.74
14093 102.055656433105 27232.814453125 20.44
14094 104.107398986816 133236.9375 100
14095 117.102561950684 18057.859375 13.55
14096 118.086250305176 3072.15063476562 2.31
14097 125.000221252441 13350.2626953125 10.02
14098 129.066223144531 4145.56787109375 3.11
14099 129.101852416992 3525.40478515625 2.65
14100 130.049911499023 71302.4609375 53.52
14101 131.117752075195 6242.31982421875 4.69
14102 133.060928344727 14907.283203125 11.19
14103 134.044799804688 3702.80419921875 2.78
14104 138.09130859375 5410.58154296875 4.06
14105 140.069320678711 3791.55810546875 2.85
14106 141.918716430664 3378.80908203125 2.54
14107 147.076293945312 55313.73828125 41.52
14108 156.102508544922 3269.0595703125 2.45
14109 181.061004638672 3989.51953125 2.99
14110 183.112457275391 26210.86328125 19.67
14111 184.073608398438 15300.357421875 11.48
14112 185.055694580078 4168.3134765625 3.13
14113 201.123321533203 21752.84765625 16.33
14114 206.244659423828 3507.85083007812 2.63
14115 207.015274047852 5268.3427734375 3.95
14116 215.139846801758 15175.44921875 11.39
14117 227.066329956055 12407.1875 9.31
14118 229.117889404297 5261.74853515625 3.95
14119 240.100814819336 3763.12744140625 2.82
14120 244.093368530273 14348.1962890625 10.77
14121 245.076995849609 17332.78125 13.01
14122 258.109802246094 59167.54296875 44.41
14123 262.103057861328 5984.1650390625 4.49
14124 311.065277099609 3691.60766601562 2.77
14125 375.222900390625 7451.01513671875 5.59
14126
14127 RECORD_TITLE: MZ:375.1871 | RT:51.6 | grpid:551 | file:2
14128 MS$FOCUSED_ION: PRECURSOR_M/Z 375.187103271484
14129 AC$CHROMATOGRAPHY: RETENTION_TIME 51.5947758
14130 XCMS groupid (grpid): 551
14131 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
14132 PK$NUM_PEAK: 36
14133 PK$PEAK: m/z int. rel.int.
14134 100.076263427734 7546.1962890625 5.66
14135 100.76611328125 3715.6416015625 2.79
14136 101.071418762207 15644.1923828125 11.74
14137 102.055656433105 27232.814453125 20.44
14138 104.107398986816 133236.9375 100
14139 117.102561950684 18057.859375 13.55
14140 118.086250305176 3072.15063476562 2.31
14141 125.000221252441 13350.2626953125 10.02
14142 129.066223144531 4145.56787109375 3.11
14143 129.101852416992 3525.40478515625 2.65
14144 130.049911499023 71302.4609375 53.52
14145 131.117752075195 6242.31982421875 4.69
14146 133.060928344727 14907.283203125 11.19
14147 134.044799804688 3702.80419921875 2.78
14148 138.09130859375 5410.58154296875 4.06
14149 140.069320678711 3791.55810546875 2.85
14150 141.918716430664 3378.80908203125 2.54
14151 147.076293945312 55313.73828125 41.52
14152 156.102508544922 3269.0595703125 2.45
14153 181.061004638672 3989.51953125 2.99
14154 183.112457275391 26210.86328125 19.67
14155 184.073608398438 15300.357421875 11.48
14156 185.055694580078 4168.3134765625 3.13
14157 201.123321533203 21752.84765625 16.33
14158 206.244659423828 3507.85083007812 2.63
14159 207.015274047852 5268.3427734375 3.95
14160 215.139846801758 15175.44921875 11.39
14161 227.066329956055 12407.1875 9.31
14162 229.117889404297 5261.74853515625 3.95
14163 240.100814819336 3763.12744140625 2.82
14164 244.093368530273 14348.1962890625 10.77
14165 245.076995849609 17332.78125 13.01
14166 258.109802246094 59167.54296875 44.41
14167 262.103057861328 5984.1650390625 4.49
14168 311.065277099609 3691.60766601562 2.77
14169 375.222900390625 7451.01513671875 5.59
14170
14171 RECORD_TITLE: MZ:375.1869 | RT:51.6 | grpid:551 | file:2
14172 MS$FOCUSED_ION: PRECURSOR_M/Z 375.186859130859
14173 AC$CHROMATOGRAPHY: RETENTION_TIME 51.5947758
14174 XCMS groupid (grpid): 551
14175 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
14176 PK$NUM_PEAK: 23
14177 PK$PEAK: m/z int. rel.int.
14178 101.071601867676 12710.5751953125 19.58
14179 102.055297851562 26777.037109375 41.25
14180 106.278053283691 2853.70825195312 4.4
14181 122.972595214844 2884.09375 4.44
14182 125.034408569336 3246.0478515625 5
14183 125.047492980957 5959.91162109375 9.18
14184 126.050323486328 12257.2783203125 18.88
14185 129.066040039062 22896.1015625 35.27
14186 129.102401733398 64916.0234375 100
14187 130.049789428711 4824.482421875 7.43
14188 130.086364746094 15460.0498046875 23.82
14189 134.044662475586 5043.2861328125 7.77
14190 137.581970214844 2854.84887695312 4.4
14191 147.11311340332 15804.31640625 24.35
14192 148.060287475586 3264.37744140625 5.03
14193 183.113250732422 19118.001953125 29.45
14194 187.108016967773 17728.015625 27.31
14195 196.144744873047 15828.9775390625 24.38
14196 197.128570556641 23167.3984375 35.69
14197 201.122421264648 3693.38549804688 5.69
14198 229.118041992188 7423.732421875 11.44
14199 262.137420654297 9826.9990234375 15.14
14200 291.134735107422 3265.45678710938 5.03
14201
14202 RECORD_TITLE: MZ:375.1869 | RT:51.6 | grpid:551 | file:2
14203 MS$FOCUSED_ION: PRECURSOR_M/Z 375.186859130859
14204 AC$CHROMATOGRAPHY: RETENTION_TIME 51.5947758
14205 XCMS groupid (grpid): 551
14206 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
14207 PK$NUM_PEAK: 23
14208 PK$PEAK: m/z int. rel.int.
14209 101.071601867676 12710.5751953125 19.58
14210 102.055297851562 26777.037109375 41.25
14211 106.278053283691 2853.70825195312 4.4
14212 122.972595214844 2884.09375 4.44
14213 125.034408569336 3246.0478515625 5
14214 125.047492980957 5959.91162109375 9.18
14215 126.050323486328 12257.2783203125 18.88
14216 129.066040039062 22896.1015625 35.27
14217 129.102401733398 64916.0234375 100
14218 130.049789428711 4824.482421875 7.43
14219 130.086364746094 15460.0498046875 23.82
14220 134.044662475586 5043.2861328125 7.77
14221 137.581970214844 2854.84887695312 4.4
14222 147.11311340332 15804.31640625 24.35
14223 148.060287475586 3264.37744140625 5.03
14224 183.113250732422 19118.001953125 29.45
14225 187.108016967773 17728.015625 27.31
14226 196.144744873047 15828.9775390625 24.38
14227 197.128570556641 23167.3984375 35.69
14228 201.122421264648 3693.38549804688 5.69
14229 229.118041992188 7423.732421875 11.44
14230 262.137420654297 9826.9990234375 15.14
14231 291.134735107422 3265.45678710938 5.03
14232
14233 RECORD_TITLE: MZ:375.1869 | RT:51.6 | grpid:551 | file:2
14234 MS$FOCUSED_ION: PRECURSOR_M/Z 375.186920166016
14235 AC$CHROMATOGRAPHY: RETENTION_TIME 51.5947758
14236 XCMS groupid (grpid): 551
14237 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
14238 PK$NUM_PEAK: 21
14239 PK$PEAK: m/z int. rel.int.
14240 101.071319580078 16489.58203125 29.07
14241 101.288635253906 3558.95239257812 6.27
14242 129.066070556641 6207.2783203125 10.94
14243 129.10237121582 12822.3798828125 22.6
14244 130.049942016602 56727.26953125 100
14245 133.060806274414 14748.9638671875 26
14246 134.04426574707 12203.982421875 21.51
14247 138.091110229492 3501.79833984375 6.17
14248 141.101913452148 14260.5947265625 25.14
14249 147.076263427734 41811.7578125 73.71
14250 155.117874145508 7255.27978515625 12.79
14251 156.101623535156 6652.86572265625 11.73
14252 157.134048461914 3638.13452148438 6.41
14253 177.563690185547 3152.11474609375 5.56
14254 183.113159179688 12251.822265625 21.6
14255 196.144088745117 18498.125 32.61
14256 197.128128051758 21672.10546875 38.2
14257 200.139190673828 19149.88671875 33.76
14258 201.123733520508 34482.609375 60.79
14259 203.102203369141 14561.48046875 25.67
14260 260.471221923828 3444.17211914062 6.07
14261
14262 RECORD_TITLE: MZ:375.1869 | RT:51.6 | grpid:551 | file:2
14263 MS$FOCUSED_ION: PRECURSOR_M/Z 375.186920166016
14264 AC$CHROMATOGRAPHY: RETENTION_TIME 51.5947758
14265 XCMS groupid (grpid): 551
14266 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
14267 PK$NUM_PEAK: 21
14268 PK$PEAK: m/z int. rel.int.
14269 101.071319580078 16489.58203125 29.07
14270 101.288635253906 3558.95239257812 6.27
14271 129.066070556641 6207.2783203125 10.94
14272 129.10237121582 12822.3798828125 22.6
14273 130.049942016602 56727.26953125 100
14274 133.060806274414 14748.9638671875 26
14275 134.04426574707 12203.982421875 21.51
14276 138.091110229492 3501.79833984375 6.17
14277 141.101913452148 14260.5947265625 25.14
14278 147.076263427734 41811.7578125 73.71
14279 155.117874145508 7255.27978515625 12.79
14280 156.101623535156 6652.86572265625 11.73
14281 157.134048461914 3638.13452148438 6.41
14282 177.563690185547 3152.11474609375 5.56
14283 183.113159179688 12251.822265625 21.6
14284 196.144088745117 18498.125 32.61
14285 197.128128051758 21672.10546875 38.2
14286 200.139190673828 19149.88671875 33.76
14287 201.123733520508 34482.609375 60.79
14288 203.102203369141 14561.48046875 25.67
14289 260.471221923828 3444.17211914062 6.07
14290
14291 RECORD_TITLE: MZ:375.1867 | RT:51.6 | grpid:551 | file:2
14292 MS$FOCUSED_ION: PRECURSOR_M/Z 375.186706542969
14293 AC$CHROMATOGRAPHY: RETENTION_TIME 51.5947758
14294 XCMS groupid (grpid): 551
14295 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
14296 PK$NUM_PEAK: 25
14297 PK$PEAK: m/z int. rel.int.
14298 102.055549621582 13487.74609375 44.88
14299 116.070671081543 5957.71142578125 19.83
14300 118.882690429688 2930.4892578125 9.75
14301 129.065536499023 2792.34545898438 9.29
14302 130.049957275391 18392.673828125 61.21
14303 132.102127075195 4678.94921875 15.57
14304 133.060562133789 24282.31640625 80.81
14305 141.102493286133 7010.25146484375 23.33
14306 147.076858520508 6090.03662109375 20.27
14307 148.060409545898 5299.95849609375 17.64
14308 155.118087768555 13071.4150390625 43.5
14309 183.113250732422 13759.0419921875 45.79
14310 187.107757568359 30050.21484375 100
14311 188.116851806641 3119.83715820312 10.38
14312 197.129058837891 13456.390625 44.78
14313 199.072799682617 3454.95458984375 11.5
14314 200.139236450195 29500.130859375 98.17
14315 201.123519897461 17738.3828125 59.03
14316 215.138946533203 15552.9130859375 51.76
14317 216.982376098633 3606.55419921875 12
14318 244.092468261719 4297.216796875 14.3
14319 249.166625976562 3427.99584960938 11.41
14320 276.167205810547 18164.0859375 60.45
14321 375.233428955078 5857.43798828125 19.49
14322 377.149841308594 3169.154296875 10.55
14323
14324 RECORD_TITLE: MZ:375.1867 | RT:51.6 | grpid:551 | file:2
14325 MS$FOCUSED_ION: PRECURSOR_M/Z 375.186706542969
14326 AC$CHROMATOGRAPHY: RETENTION_TIME 51.5947758
14327 XCMS groupid (grpid): 551
14328 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
14329 PK$NUM_PEAK: 25
14330 PK$PEAK: m/z int. rel.int.
14331 102.055549621582 13487.74609375 44.88
14332 116.070671081543 5957.71142578125 19.83
14333 118.882690429688 2930.4892578125 9.75
14334 129.065536499023 2792.34545898438 9.29
14335 130.049957275391 18392.673828125 61.21
14336 132.102127075195 4678.94921875 15.57
14337 133.060562133789 24282.31640625 80.81
14338 141.102493286133 7010.25146484375 23.33
14339 147.076858520508 6090.03662109375 20.27
14340 148.060409545898 5299.95849609375 17.64
14341 155.118087768555 13071.4150390625 43.5
14342 183.113250732422 13759.0419921875 45.79
14343 187.107757568359 30050.21484375 100
14344 188.116851806641 3119.83715820312 10.38
14345 197.129058837891 13456.390625 44.78
14346 199.072799682617 3454.95458984375 11.5
14347 200.139236450195 29500.130859375 98.17
14348 201.123519897461 17738.3828125 59.03
14349 215.138946533203 15552.9130859375 51.76
14350 216.982376098633 3606.55419921875 12
14351 244.092468261719 4297.216796875 14.3
14352 249.166625976562 3427.99584960938 11.41
14353 276.167205810547 18164.0859375 60.45
14354 375.233428955078 5857.43798828125 19.49
14355 377.149841308594 3169.154296875 10.55
14356
14357 RECORD_TITLE: MZ:394.1604 | RT:112 | grpid:596 | file:1
14358 MS$FOCUSED_ION: PRECURSOR_M/Z 394.160400390625
14359 AC$CHROMATOGRAPHY: RETENTION_TIME 111.9768
14360 XCMS groupid (grpid): 596
14361 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
14362 PK$NUM_PEAK: 17
14363 PK$PEAK: m/z int. rel.int.
14364 102.766708374023 3929.609375 7.41
14365 117.806762695312 3366.19604492188 6.35
14366 118.686012268066 3622.3388671875 6.83
14367 123.743171691895 3217.89379882812 6.07
14368 125.071006774902 5570.35595703125 10.5
14369 128.317962646484 2899.56469726562 5.47
14370 136.075881958008 20010.845703125 37.73
14371 155.045272827148 3647.17114257812 6.88
14372 165.054244995117 5754.60986328125 10.85
14373 167.081008911133 6179.26220703125 11.65
14374 175.066543579102 3524.22631835938 6.64
14375 185.092147827148 53042.44140625 100
14376 196.061447143555 4606.38916015625 8.68
14377 213.08674621582 5382.7021484375 10.15
14378 279.134704589844 22566.8359375 42.54
14379 317.111999511719 7535.61669921875 14.21
14380 359.123138427734 5193.3125 9.79
14381
14382 RECORD_TITLE: MZ:394.1604 | RT:112 | grpid:596 | file:1
14383 MS$FOCUSED_ION: PRECURSOR_M/Z 394.160400390625
14384 AC$CHROMATOGRAPHY: RETENTION_TIME 111.9768
14385 XCMS groupid (grpid): 596
14386 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
14387 PK$NUM_PEAK: 17
14388 PK$PEAK: m/z int. rel.int.
14389 102.766708374023 3929.609375 7.41
14390 117.806762695312 3366.19604492188 6.35
14391 118.686012268066 3622.3388671875 6.83
14392 123.743171691895 3217.89379882812 6.07
14393 125.071006774902 5570.35595703125 10.5
14394 128.317962646484 2899.56469726562 5.47
14395 136.075881958008 20010.845703125 37.73
14396 155.045272827148 3647.17114257812 6.88
14397 165.054244995117 5754.60986328125 10.85
14398 167.081008911133 6179.26220703125 11.65
14399 175.066543579102 3524.22631835938 6.64
14400 185.092147827148 53042.44140625 100
14401 196.061447143555 4606.38916015625 8.68
14402 213.08674621582 5382.7021484375 10.15
14403 279.134704589844 22566.8359375 42.54
14404 317.111999511719 7535.61669921875 14.21
14405 359.123138427734 5193.3125 9.79
14406
14407 RECORD_TITLE: MZ:394.1605 | RT:113 | grpid:596 | file:2
14408 MS$FOCUSED_ION: PRECURSOR_M/Z 394.160461425781
14409 AC$CHROMATOGRAPHY: RETENTION_TIME 112.983072
14410 XCMS groupid (grpid): 596
14411 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
14412 PK$NUM_PEAK: 17
14413 PK$PEAK: m/z int. rel.int.
14414 125.071266174316 18474.486328125 35.71
14415 136.07585144043 26903.927734375 52
14416 142.836349487305 3245.5166015625 6.27
14417 147.454162597656 3399.47290039062 6.57
14418 151.377349853516 3015.4287109375 5.83
14419 167.082138061523 5944.7177734375 11.49
14420 182.081329345703 4438.41357421875 8.58
14421 185.091857910156 51733.65234375 100
14422 196.059860229492 4624.06640625 8.94
14423 211.785034179688 3312.98022460938 6.4
14424 213.087020874023 7644.798828125 14.78
14425 243.112808227539 6943.72216796875 13.42
14426 243.903228759766 3231.54345703125 6.25
14427 279.133819580078 18169.6484375 35.12
14428 317.114227294922 13560.7890625 26.21
14429 359.126098632812 3799.70556640625 7.34
14430 394.346771240234 3509.42309570312 6.78
14431
14432 RECORD_TITLE: MZ:394.1605 | RT:113 | grpid:596 | file:2
14433 MS$FOCUSED_ION: PRECURSOR_M/Z 394.160461425781
14434 AC$CHROMATOGRAPHY: RETENTION_TIME 112.983072
14435 XCMS groupid (grpid): 596
14436 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
14437 PK$NUM_PEAK: 17
14438 PK$PEAK: m/z int. rel.int.
14439 125.071266174316 18474.486328125 35.71
14440 136.07585144043 26903.927734375 52
14441 142.836349487305 3245.5166015625 6.27
14442 147.454162597656 3399.47290039062 6.57
14443 151.377349853516 3015.4287109375 5.83
14444 167.082138061523 5944.7177734375 11.49
14445 182.081329345703 4438.41357421875 8.58
14446 185.091857910156 51733.65234375 100
14447 196.059860229492 4624.06640625 8.94
14448 211.785034179688 3312.98022460938 6.4
14449 213.087020874023 7644.798828125 14.78
14450 243.112808227539 6943.72216796875 13.42
14451 243.903228759766 3231.54345703125 6.25
14452 279.133819580078 18169.6484375 35.12
14453 317.114227294922 13560.7890625 26.21
14454 359.126098632812 3799.70556640625 7.34
14455 394.346771240234 3509.42309570312 6.78
14456
14457 RECORD_TITLE: MZ:401.0603 | RT:34 | grpid:612 | file:1
14458 MS$FOCUSED_ION: PRECURSOR_M/Z 401.060302734375
14459 AC$CHROMATOGRAPHY: RETENTION_TIME 34.0415226
14460 XCMS groupid (grpid): 612
14461 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
14462 PK$NUM_PEAK: 21
14463 PK$PEAK: m/z int. rel.int.
14464 116.995132446289 136892.984375 1.66
14465 124.999984741211 42946.36328125 0.52
14466 136.999877929688 238328.71875 2.89
14467 140.010681152344 93211.8828125 1.13
14468 140.528503417969 8499.00390625 0.1
14469 155.010330200195 8256080.5 100
14470 173.020904541016 679665.5625 8.23
14471 173.036026000977 18195.396484375 0.22
14472 178.950942993164 31425.779296875 0.38
14473 196.037170410156 44366.0078125 0.54
14474 201.402801513672 7493.45556640625 0.09
14475 211.03645324707 526844.25 6.38
14476 213.640502929688 9425.62890625 0.11
14477 216.965560913086 144223.203125 1.75
14478 229.04704284668 521291.78125 6.31
14479 234.9765625 620313.9375 7.51
14480 247.057693481445 135150.9375 1.64
14481 291.002990722656 192032.71875 2.33
14482 309.012908935547 35465.66796875 0.43
14483 311.400085449219 10430.2568359375 0.13
14484 376.881713867188 8704.376953125 0.11
14485
14486 RECORD_TITLE: MZ:401.0603 | RT:34 | grpid:612 | file:1
14487 MS$FOCUSED_ION: PRECURSOR_M/Z 401.060302734375
14488 AC$CHROMATOGRAPHY: RETENTION_TIME 34.0415226
14489 XCMS groupid (grpid): 612
14490 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
14491 PK$NUM_PEAK: 21
14492 PK$PEAK: m/z int. rel.int.
14493 116.995132446289 136892.984375 1.66
14494 124.999984741211 42946.36328125 0.52
14495 136.999877929688 238328.71875 2.89
14496 140.010681152344 93211.8828125 1.13
14497 140.528503417969 8499.00390625 0.1
14498 155.010330200195 8256080.5 100
14499 173.020904541016 679665.5625 8.23
14500 173.036026000977 18195.396484375 0.22
14501 178.950942993164 31425.779296875 0.38
14502 196.037170410156 44366.0078125 0.54
14503 201.402801513672 7493.45556640625 0.09
14504 211.03645324707 526844.25 6.38
14505 213.640502929688 9425.62890625 0.11
14506 216.965560913086 144223.203125 1.75
14507 229.04704284668 521291.78125 6.31
14508 234.9765625 620313.9375 7.51
14509 247.057693481445 135150.9375 1.64
14510 291.002990722656 192032.71875 2.33
14511 309.012908935547 35465.66796875 0.43
14512 311.400085449219 10430.2568359375 0.13
14513 376.881713867188 8704.376953125 0.11
14514
14515 RECORD_TITLE: MZ:401.0603 | RT:34 | grpid:612 | file:1
14516 MS$FOCUSED_ION: PRECURSOR_M/Z 401.060333251953
14517 AC$CHROMATOGRAPHY: RETENTION_TIME 34.0415226
14518 XCMS groupid (grpid): 612
14519 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
14520 PK$NUM_PEAK: 17
14521 PK$PEAK: m/z int. rel.int.
14522 100.988975524902 47076.8515625 31.69
14523 108.061096191406 3763.66381835938 2.53
14524 109.599235534668 2997.06420898438 2.02
14525 116.994995117188 3539.68872070312 2.38
14526 155.010345458984 148573.859375 100
14527 156.014068603516 18942.033203125 12.75
14528 157.014785766602 85852.5703125 57.78
14529 159.085784912109 3452.07983398438 2.32
14530 169.349212646484 3243.4013671875 2.18
14531 173.020584106445 4780.51318359375 3.22
14532 173.584411621094 3040.2529296875 2.05
14533 175.025650024414 7430.17431640625 5
14534 193.485229492188 3269.10034179688 2.2
14535 211.036483764648 4254.63330078125 2.86
14536 231.051712036133 6051.41162109375 4.07
14537 234.976608276367 3502.38916015625 2.36
14538 236.98127746582 5809.45556640625 3.91
14539
14540 RECORD_TITLE: MZ:401.0603 | RT:34 | grpid:612 | file:1
14541 MS$FOCUSED_ION: PRECURSOR_M/Z 401.060333251953
14542 AC$CHROMATOGRAPHY: RETENTION_TIME 34.0415226
14543 XCMS groupid (grpid): 612
14544 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
14545 PK$NUM_PEAK: 17
14546 PK$PEAK: m/z int. rel.int.
14547 100.988975524902 47076.8515625 31.69
14548 108.061096191406 3763.66381835938 2.53
14549 109.599235534668 2997.06420898438 2.02
14550 116.994995117188 3539.68872070312 2.38
14551 155.010345458984 148573.859375 100
14552 156.014068603516 18942.033203125 12.75
14553 157.014785766602 85852.5703125 57.78
14554 159.085784912109 3452.07983398438 2.32
14555 169.349212646484 3243.4013671875 2.18
14556 173.020584106445 4780.51318359375 3.22
14557 173.584411621094 3040.2529296875 2.05
14558 175.025650024414 7430.17431640625 5
14559 193.485229492188 3269.10034179688 2.2
14560 211.036483764648 4254.63330078125 2.86
14561 231.051712036133 6051.41162109375 4.07
14562 234.976608276367 3502.38916015625 2.36
14563 236.98127746582 5809.45556640625 3.91
14564
14565 RECORD_TITLE: MZ:401.0603 | RT:34.2 | grpid:612 | file:2
14566 MS$FOCUSED_ION: PRECURSOR_M/Z 401.060333251953
14567 AC$CHROMATOGRAPHY: RETENTION_TIME 34.1913918
14568 XCMS groupid (grpid): 612
14569 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
14570 PK$NUM_PEAK: 23
14571 PK$PEAK: m/z int. rel.int.
14572 116.995010375977 152569.53125 1.82
14573 123.777450561523 8107.2958984375 0.1
14574 124.999740600586 60736.56640625 0.72
14575 136.999847412109 264684 3.15
14576 140.010818481445 98667.4140625 1.17
14577 140.450241088867 8842.6044921875 0.11
14578 155.010284423828 8400667 100
14579 173.020843505859 720799.75 8.58
14580 178.950073242188 34890.97265625 0.42
14581 195.501876831055 7862.93017578125 0.09
14582 196.036972045898 55461.46484375 0.66
14583 211.036422729492 526707.8125 6.27
14584 216.965789794922 140906.8125 1.68
14585 222.872299194336 7800.2646484375 0.09
14586 229.046951293945 499441.21875 5.95
14587 229.070068359375 19001.33984375 0.23
14588 234.976547241211 646214.5 7.69
14589 247.057281494141 127103.421875 1.51
14590 257.992340087891 16358.1513671875 0.19
14591 291.002960205078 215600.65625 2.57
14592 309.01318359375 13654.2666015625 0.16
14593 364.542114257812 7702.04541015625 0.09
14594 404.745391845703 7731.3017578125 0.09
14595
14596 RECORD_TITLE: MZ:401.0603 | RT:34.2 | grpid:612 | file:2
14597 MS$FOCUSED_ION: PRECURSOR_M/Z 401.060333251953
14598 AC$CHROMATOGRAPHY: RETENTION_TIME 34.1913918
14599 XCMS groupid (grpid): 612
14600 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
14601 PK$NUM_PEAK: 23
14602 PK$PEAK: m/z int. rel.int.
14603 116.995010375977 152569.53125 1.82
14604 123.777450561523 8107.2958984375 0.1
14605 124.999740600586 60736.56640625 0.72
14606 136.999847412109 264684 3.15
14607 140.010818481445 98667.4140625 1.17
14608 140.450241088867 8842.6044921875 0.11
14609 155.010284423828 8400667 100
14610 173.020843505859 720799.75 8.58
14611 178.950073242188 34890.97265625 0.42
14612 195.501876831055 7862.93017578125 0.09
14613 196.036972045898 55461.46484375 0.66
14614 211.036422729492 526707.8125 6.27
14615 216.965789794922 140906.8125 1.68
14616 222.872299194336 7800.2646484375 0.09
14617 229.046951293945 499441.21875 5.95
14618 229.070068359375 19001.33984375 0.23
14619 234.976547241211 646214.5 7.69
14620 247.057281494141 127103.421875 1.51
14621 257.992340087891 16358.1513671875 0.19
14622 291.002960205078 215600.65625 2.57
14623 309.01318359375 13654.2666015625 0.16
14624 364.542114257812 7702.04541015625 0.09
14625 404.745391845703 7731.3017578125 0.09
14626
14627 RECORD_TITLE: MZ:401.0604 | RT:34.2 | grpid:612 | file:2
14628 MS$FOCUSED_ION: PRECURSOR_M/Z 401.060363769531
14629 AC$CHROMATOGRAPHY: RETENTION_TIME 34.1913918
14630 XCMS groupid (grpid): 612
14631 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
14632 PK$NUM_PEAK: 15
14633 PK$PEAK: m/z int. rel.int.
14634 100.988807678223 40817.30859375 25.9
14635 101.309761047363 3056.51245117188 1.94
14636 141.789901733398 3405.86743164062 2.16
14637 155.010375976562 157578.765625 100
14638 156.01383972168 16251.8291015625 10.31
14639 157.014694213867 89120.7421875 56.56
14640 173.020965576172 6775.59033203125 4.3
14641 175.025650024414 12913.28515625 8.19
14642 211.03694152832 5124.314453125 3.25
14643 213.039443969727 4484.9384765625 2.85
14644 229.047058105469 4443.03955078125 2.82
14645 231.051651000977 4658.02783203125 2.96
14646 236.980819702148 4265.56103515625 2.71
14647 254.277374267578 4000.4482421875 2.54
14648 373.381866455078 3680.00122070312 2.34
14649
14650 RECORD_TITLE: MZ:401.0604 | RT:34.2 | grpid:612 | file:2
14651 MS$FOCUSED_ION: PRECURSOR_M/Z 401.060363769531
14652 AC$CHROMATOGRAPHY: RETENTION_TIME 34.1913918
14653 XCMS groupid (grpid): 612
14654 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
14655 PK$NUM_PEAK: 15
14656 PK$PEAK: m/z int. rel.int.
14657 100.988807678223 40817.30859375 25.9
14658 101.309761047363 3056.51245117188 1.94
14659 141.789901733398 3405.86743164062 2.16
14660 155.010375976562 157578.765625 100
14661 156.01383972168 16251.8291015625 10.31
14662 157.014694213867 89120.7421875 56.56
14663 173.020965576172 6775.59033203125 4.3
14664 175.025650024414 12913.28515625 8.19
14665 211.03694152832 5124.314453125 3.25
14666 213.039443969727 4484.9384765625 2.85
14667 229.047058105469 4443.03955078125 2.82
14668 231.051651000977 4658.02783203125 2.96
14669 236.980819702148 4265.56103515625 2.71
14670 254.277374267578 4000.4482421875 2.54
14671 373.381866455078 3680.00122070312 2.34
14672
14673 RECORD_TITLE: MZ:404.1419 | RT:126.2 | grpid:618 | file:1
14674 MS$FOCUSED_ION: PRECURSOR_M/Z 404.141937255859
14675 AC$CHROMATOGRAPHY: RETENTION_TIME 126.186204
14676 XCMS groupid (grpid): 618
14677 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
14678 PK$NUM_PEAK: 8
14679 PK$PEAK: m/z int. rel.int.
14680 136.051010131836 4214.84375 1.66
14681 136.061798095703 154229.46875 60.57
14682 137.045776367188 254645.9375 100
14683 152.028915405273 3706.61962890625 1.46
14684 176.857574462891 3244.943359375 1.27
14685 191.558868408203 3635.75805664062 1.43
14686 215.409362792969 3903.9443359375 1.53
14687 254.295944213867 4236.8359375 1.66
14688
14689 RECORD_TITLE: MZ:404.1419 | RT:126.2 | grpid:618 | file:1
14690 MS$FOCUSED_ION: PRECURSOR_M/Z 404.141937255859
14691 AC$CHROMATOGRAPHY: RETENTION_TIME 126.186204
14692 XCMS groupid (grpid): 618
14693 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
14694 PK$NUM_PEAK: 8
14695 PK$PEAK: m/z int. rel.int.
14696 136.051010131836 4214.84375 1.66
14697 136.061798095703 154229.46875 60.57
14698 137.045776367188 254645.9375 100
14699 152.028915405273 3706.61962890625 1.46
14700 176.857574462891 3244.943359375 1.27
14701 191.558868408203 3635.75805664062 1.43
14702 215.409362792969 3903.9443359375 1.53
14703 254.295944213867 4236.8359375 1.66
14704
14705 RECORD_TITLE: MZ:404.1418 | RT:126.4 | grpid:618 | file:2
14706 MS$FOCUSED_ION: PRECURSOR_M/Z 404.141845703125
14707 AC$CHROMATOGRAPHY: RETENTION_TIME 126.441198
14708 XCMS groupid (grpid): 618
14709 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
14710 PK$NUM_PEAK: 6
14711 PK$PEAK: m/z int. rel.int.
14712 136.061737060547 186923.140625 67.72
14713 137.045791625977 276035.78125 100
14714 149.350723266602 2960.25122070312 1.07
14715 155.559341430664 3138.55590820312 1.14
14716 207.745498657227 2866.4462890625 1.04
14717 305.455352783203 3670.34033203125 1.33
14718
14719 RECORD_TITLE: MZ:404.1418 | RT:126.4 | grpid:618 | file:2
14720 MS$FOCUSED_ION: PRECURSOR_M/Z 404.141845703125
14721 AC$CHROMATOGRAPHY: RETENTION_TIME 126.441198
14722 XCMS groupid (grpid): 618
14723 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
14724 PK$NUM_PEAK: 6
14725 PK$PEAK: m/z int. rel.int.
14726 136.061737060547 186923.140625 67.72
14727 137.045791625977 276035.78125 100
14728 149.350723266602 2960.25122070312 1.07
14729 155.559341430664 3138.55590820312 1.14
14730 207.745498657227 2866.4462890625 1.04
14731 305.455352783203 3670.34033203125 1.33
14732
14733 RECORD_TITLE: MZ:407.2017 | RT:72.2 | grpid:625 | file:2
14734 MS$FOCUSED_ION: PRECURSOR_M/Z 407.20166015625
14735 AC$CHROMATOGRAPHY: RETENTION_TIME 72.171048
14736 XCMS groupid (grpid): 625
14737 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
14738 PK$NUM_PEAK: 31
14739 PK$PEAK: m/z int. rel.int.
14740 102.055419921875 29241.109375 5.9
14741 104.053215026855 36839.7578125 7.44
14742 109.02864074707 18452.52734375 3.72
14743 111.270988464355 3561.50805664062 0.72
14744 116.052536010742 3233.939453125 0.65
14745 116.070777893066 13699.947265625 2.77
14746 126.055152893066 96099.703125 19.4
14747 127.451728820801 3604.42553710938 0.73
14748 130.050262451172 4331.92431640625 0.87
14749 132.102096557617 40127.29296875 8.1
14750 138.054977416992 495429.3125 100
14751 143.08235168457 5169.75390625 1.04
14752 144.0654296875 110722.25 22.35
14753 144.076126098633 5807.7001953125 1.17
14754 159.075912475586 12614.484375 2.55
14755 161.074722290039 4780.4208984375 0.96
14756 163.027908325195 3617.16259765625 0.73
14757 168.065414428711 104829.1171875 21.16
14758 171.076583862305 7918.15283203125 1.6
14759 173.12809753418 6250.19384765625 1.26
14760 179.168167114258 3541.37573242188 0.71
14761 186.075805664062 92374.96875 18.65
14762 187.071105957031 19836.36328125 4
14763 189.06901550293 20552.5390625 4.15
14764 189.086181640625 6041.65234375 1.22
14765 201.086990356445 23055.71875 4.65
14766 270.140502929688 3485.42749023438 0.7
14767 276.108459472656 36373.86328125 7.34
14768 293.534423828125 3759.82836914062 0.76
14769 302.942840576172 3783.8955078125 0.76
14770 344.885498046875 3337.09936523438 0.67
14771
14772 RECORD_TITLE: MZ:407.2017 | RT:72.2 | grpid:625 | file:2
14773 MS$FOCUSED_ION: PRECURSOR_M/Z 407.20166015625
14774 AC$CHROMATOGRAPHY: RETENTION_TIME 72.171048
14775 XCMS groupid (grpid): 625
14776 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
14777 PK$NUM_PEAK: 31
14778 PK$PEAK: m/z int. rel.int.
14779 102.055419921875 29241.109375 5.9
14780 104.053215026855 36839.7578125 7.44
14781 109.02864074707 18452.52734375 3.72
14782 111.270988464355 3561.50805664062 0.72
14783 116.052536010742 3233.939453125 0.65
14784 116.070777893066 13699.947265625 2.77
14785 126.055152893066 96099.703125 19.4
14786 127.451728820801 3604.42553710938 0.73
14787 130.050262451172 4331.92431640625 0.87
14788 132.102096557617 40127.29296875 8.1
14789 138.054977416992 495429.3125 100
14790 143.08235168457 5169.75390625 1.04
14791 144.0654296875 110722.25 22.35
14792 144.076126098633 5807.7001953125 1.17
14793 159.075912475586 12614.484375 2.55
14794 161.074722290039 4780.4208984375 0.96
14795 163.027908325195 3617.16259765625 0.73
14796 168.065414428711 104829.1171875 21.16
14797 171.076583862305 7918.15283203125 1.6
14798 173.12809753418 6250.19384765625 1.26
14799 179.168167114258 3541.37573242188 0.71
14800 186.075805664062 92374.96875 18.65
14801 187.071105957031 19836.36328125 4
14802 189.06901550293 20552.5390625 4.15
14803 189.086181640625 6041.65234375 1.22
14804 201.086990356445 23055.71875 4.65
14805 270.140502929688 3485.42749023438 0.7
14806 276.108459472656 36373.86328125 7.34
14807 293.534423828125 3759.82836914062 0.76
14808 302.942840576172 3783.8955078125 0.76
14809 344.885498046875 3337.09936523438 0.67
14810
14811 RECORD_TITLE: MZ:414.2344 | RT:113.6 | grpid:641 | file:1
14812 MS$FOCUSED_ION: PRECURSOR_M/Z 414.234375
14813 AC$CHROMATOGRAPHY: RETENTION_TIME 113.597328
14814 XCMS groupid (grpid): 641
14815 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
14816 PK$NUM_PEAK: 11
14817 PK$PEAK: m/z int. rel.int.
14818 101.072120666504 3460.662109375 2.89
14819 130.050003051758 23700.412109375 19.76
14820 143.118316650391 6467.0634765625 5.39
14821 147.076400756836 57435.73046875 47.89
14822 171.114654541016 3607.89379882812 3.01
14823 187.107620239258 12488.6435546875 10.41
14824 212.347091674805 2953.01245117188 2.46
14825 227.102462768555 13762.5078125 11.47
14826 244.129257202148 119940.1875 100
14827 291.886047363281 3740.046875 3.12
14828 299.767974853516 4064.77465820312 3.39
14829
14830 RECORD_TITLE: MZ:414.2344 | RT:113.6 | grpid:641 | file:1
14831 MS$FOCUSED_ION: PRECURSOR_M/Z 414.234375
14832 AC$CHROMATOGRAPHY: RETENTION_TIME 113.597328
14833 XCMS groupid (grpid): 641
14834 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
14835 PK$NUM_PEAK: 11
14836 PK$PEAK: m/z int. rel.int.
14837 101.072120666504 3460.662109375 2.89
14838 130.050003051758 23700.412109375 19.76
14839 143.118316650391 6467.0634765625 5.39
14840 147.076400756836 57435.73046875 47.89
14841 171.114654541016 3607.89379882812 3.01
14842 187.107620239258 12488.6435546875 10.41
14843 212.347091674805 2953.01245117188 2.46
14844 227.102462768555 13762.5078125 11.47
14845 244.129257202148 119940.1875 100
14846 291.886047363281 3740.046875 3.12
14847 299.767974853516 4064.77465820312 3.39
14848
14849 RECORD_TITLE: MZ:417.2086 | RT:77.5 | grpid:651 | file:2
14850 MS$FOCUSED_ION: PRECURSOR_M/Z 417.208648681641
14851 AC$CHROMATOGRAPHY: RETENTION_TIME 77.474424
14852 XCMS groupid (grpid): 651
14853 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
14854 PK$NUM_PEAK: 50
14855 PK$PEAK: m/z int. rel.int.
14856 101.071632385254 21183.01171875 8.79
14857 110.024345397949 4356.50732421875 1.81
14858 115.050491333008 95092.8828125 39.44
14859 115.058029174805 5113.0302734375 2.12
14860 125.035163879395 3798.44970703125 1.58
14861 128.03466796875 7057.6240234375 2.93
14862 129.066192626953 14344.888671875 5.95
14863 132.076797485352 241117.15625 100
14864 136.039596557617 19952.20703125 8.27
14865 138.091293334961 7483.42236328125 3.1
14866 139.050628662109 14222.2255859375 5.9
14867 139.131530761719 3395.9853515625 1.41
14868 153.06575012207 6803.0126953125 2.82
14869 156.076614379883 6305.38037109375 2.62
14870 164.034301757812 8484.1953125 3.52
14871 167.044952392578 8397.5390625 3.48
14872 170.983276367188 3608.68090820312 1.5
14873 181.060546875 27577.30859375 11.44
14874 182.129257202148 23290.46875 9.66
14875 183.112838745117 27057.6171875 11.22
14876 183.282043457031 3755.23095703125 1.56
14877 184.071365356445 23913.513671875 9.92
14878 185.092208862305 13970.9443359375 5.79
14879 198.087966918945 5590.96142578125 2.32
14880 201.086441040039 5095.77099609375 2.11
14881 209.055572509766 59876.9453125 24.83
14882 211.107772827148 12975.3623046875 5.38
14883 213.087799072266 5400.66064453125 2.24
14884 215.114074707031 5145.68017578125 2.13
14885 220.108795166016 14700.2373046875 6.1
14886 221.093078613281 4728.6259765625 1.96
14887 226.082061767578 96564.5859375 40.05
14888 226.604354858398 3716.79638671875 1.54
14889 237.134994506836 4390.27392578125 1.82
14890 238.118011474609 13940.3623046875 5.78
14891 243.108535766602 103141.328125 42.78
14892 263.102355957031 24783.052734375 10.28
14893 266.114227294922 19456.26953125 8.07
14894 279.144805908203 32799.67578125 13.6
14895 280.128326416016 29510.955078125 12.24
14896 283.140472412109 6341.9501953125 2.63
14897 285.156372070312 5746.60009765625 2.38
14898 303.174591064453 3790.90161132812 1.57
14899 304.180053710938 17383.96875 7.21
14900 308.125305175781 15675.556640625 6.5
14901 324.118499755859 8504.177734375 3.53
14902 325.152770996094 6104.4619140625 2.53
14903 342.175933837891 6313.189453125 2.62
14904 372.336669921875 3619.55493164062 1.5
14905 382.172210693359 4940.5458984375 2.05
14906
14907 RECORD_TITLE: MZ:417.2086 | RT:77.5 | grpid:651 | file:2
14908 MS$FOCUSED_ION: PRECURSOR_M/Z 417.208648681641
14909 AC$CHROMATOGRAPHY: RETENTION_TIME 77.474424
14910 XCMS groupid (grpid): 651
14911 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
14912 PK$NUM_PEAK: 50
14913 PK$PEAK: m/z int. rel.int.
14914 101.071632385254 21183.01171875 8.79
14915 110.024345397949 4356.50732421875 1.81
14916 115.050491333008 95092.8828125 39.44
14917 115.058029174805 5113.0302734375 2.12
14918 125.035163879395 3798.44970703125 1.58
14919 128.03466796875 7057.6240234375 2.93
14920 129.066192626953 14344.888671875 5.95
14921 132.076797485352 241117.15625 100
14922 136.039596557617 19952.20703125 8.27
14923 138.091293334961 7483.42236328125 3.1
14924 139.050628662109 14222.2255859375 5.9
14925 139.131530761719 3395.9853515625 1.41
14926 153.06575012207 6803.0126953125 2.82
14927 156.076614379883 6305.38037109375 2.62
14928 164.034301757812 8484.1953125 3.52
14929 167.044952392578 8397.5390625 3.48
14930 170.983276367188 3608.68090820312 1.5
14931 181.060546875 27577.30859375 11.44
14932 182.129257202148 23290.46875 9.66
14933 183.112838745117 27057.6171875 11.22
14934 183.282043457031 3755.23095703125 1.56
14935 184.071365356445 23913.513671875 9.92
14936 185.092208862305 13970.9443359375 5.79
14937 198.087966918945 5590.96142578125 2.32
14938 201.086441040039 5095.77099609375 2.11
14939 209.055572509766 59876.9453125 24.83
14940 211.107772827148 12975.3623046875 5.38
14941 213.087799072266 5400.66064453125 2.24
14942 215.114074707031 5145.68017578125 2.13
14943 220.108795166016 14700.2373046875 6.1
14944 221.093078613281 4728.6259765625 1.96
14945 226.082061767578 96564.5859375 40.05
14946 226.604354858398 3716.79638671875 1.54
14947 237.134994506836 4390.27392578125 1.82
14948 238.118011474609 13940.3623046875 5.78
14949 243.108535766602 103141.328125 42.78
14950 263.102355957031 24783.052734375 10.28
14951 266.114227294922 19456.26953125 8.07
14952 279.144805908203 32799.67578125 13.6
14953 280.128326416016 29510.955078125 12.24
14954 283.140472412109 6341.9501953125 2.63
14955 285.156372070312 5746.60009765625 2.38
14956 303.174591064453 3790.90161132812 1.57
14957 304.180053710938 17383.96875 7.21
14958 308.125305175781 15675.556640625 6.5
14959 324.118499755859 8504.177734375 3.53
14960 325.152770996094 6104.4619140625 2.53
14961 342.175933837891 6313.189453125 2.62
14962 372.336669921875 3619.55493164062 1.5
14963 382.172210693359 4940.5458984375 2.05
14964
14965 RECORD_TITLE: MZ:422.249 | RT:77.3 | grpid:661 | file:1
14966 MS$FOCUSED_ION: PRECURSOR_M/Z 422.2490234375
14967 AC$CHROMATOGRAPHY: RETENTION_TIME 77.267322
14968 XCMS groupid (grpid): 661
14969 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
14970 PK$NUM_PEAK: 11
14971 PK$PEAK: m/z int. rel.int.
14972 102.055618286133 3558.69995117188 20.47
14973 120.081420898438 3910.62768554688 22.49
14974 132.10188293457 4685.72998046875 26.95
14975 139.996002197266 3161.169921875 18.18
14976 164.107666015625 5133.0185546875 29.52
14977 169.504211425781 3314.57250976562 19.06
14978 230.140182495117 3358.00244140625 19.31
14979 241.255187988281 3994.02172851562 22.97
14980 243.135986328125 4222.09765625 24.28
14981 339.154357910156 17388.83984375 100
14982 387.176788330078 4423.681640625 25.44
14983
14984 RECORD_TITLE: MZ:422.249 | RT:77.3 | grpid:661 | file:1
14985 MS$FOCUSED_ION: PRECURSOR_M/Z 422.2490234375
14986 AC$CHROMATOGRAPHY: RETENTION_TIME 77.267322
14987 XCMS groupid (grpid): 661
14988 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
14989 PK$NUM_PEAK: 11
14990 PK$PEAK: m/z int. rel.int.
14991 102.055618286133 3558.69995117188 20.47
14992 120.081420898438 3910.62768554688 22.49
14993 132.10188293457 4685.72998046875 26.95
14994 139.996002197266 3161.169921875 18.18
14995 164.107666015625 5133.0185546875 29.52
14996 169.504211425781 3314.57250976562 19.06
14997 230.140182495117 3358.00244140625 19.31
14998 241.255187988281 3994.02172851562 22.97
14999 243.135986328125 4222.09765625 24.28
15000 339.154357910156 17388.83984375 100
15001 387.176788330078 4423.681640625 25.44
15002
15003 RECORD_TITLE: MZ:422.249 | RT:77.5 | grpid:661 | file:2
15004 MS$FOCUSED_ION: PRECURSOR_M/Z 422.248962402344
15005 AC$CHROMATOGRAPHY: RETENTION_TIME 77.474424
15006 XCMS groupid (grpid): 661
15007 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
15008 PK$NUM_PEAK: 12
15009 PK$PEAK: m/z int. rel.int.
15010 120.080558776855 4530.3798828125 17.86
15011 132.1025390625 3071.50122070312 12.11
15012 152.552886962891 3656.74609375 14.41
15013 164.107437133789 5435.71533203125 21.43
15014 174.759521484375 3360.31762695312 13.25
15015 243.135345458984 3760.61889648438 14.82
15016 244.20588684082 3930.2548828125 15.49
15017 267.45654296875 4267.03759765625 16.82
15018 339.155120849609 25369.70703125 100
15019 404.268035888672 3815.27880859375 15.04
15020 438.548736572266 3631.70874023438 14.32
15021 442.898986816406 3885.36962890625 15.31
15022
15023 RECORD_TITLE: MZ:422.249 | RT:77.5 | grpid:661 | file:2
15024 MS$FOCUSED_ION: PRECURSOR_M/Z 422.248962402344
15025 AC$CHROMATOGRAPHY: RETENTION_TIME 77.474424
15026 XCMS groupid (grpid): 661
15027 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
15028 PK$NUM_PEAK: 12
15029 PK$PEAK: m/z int. rel.int.
15030 120.080558776855 4530.3798828125 17.86
15031 132.1025390625 3071.50122070312 12.11
15032 152.552886962891 3656.74609375 14.41
15033 164.107437133789 5435.71533203125 21.43
15034 174.759521484375 3360.31762695312 13.25
15035 243.135345458984 3760.61889648438 14.82
15036 244.20588684082 3930.2548828125 15.49
15037 267.45654296875 4267.03759765625 16.82
15038 339.155120849609 25369.70703125 100
15039 404.268035888672 3815.27880859375 15.04
15040 438.548736572266 3631.70874023438 14.32
15041 442.898986816406 3885.36962890625 15.31
15042
15043 RECORD_TITLE: MZ:423.1868 | RT:84.2 | grpid:664 | file:1
15044 MS$FOCUSED_ION: PRECURSOR_M/Z 423.186798095703
15045 AC$CHROMATOGRAPHY: RETENTION_TIME 84.215802
15046 XCMS groupid (grpid): 664
15047 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
15048 PK$NUM_PEAK: 25
15049 PK$PEAK: m/z int. rel.int.
15050 101.071411132812 46732.83203125 5.16
15051 102.055374145508 88983.625 9.83
15052 103.054443359375 24983.80859375 2.76
15053 105.530052185059 3419.52978515625 0.38
15054 110.183616638184 3628.88647460938 0.4
15055 120.081016540527 905217.25 100
15056 129.066268920898 31941.962890625 3.53
15057 130.049987792969 396376.3125 43.79
15058 131.049407958984 5914.91162109375 0.65
15059 147.076416015625 280807.375 31.02
15060 172.265274047852 3955.26342773438 0.44
15061 186.091079711914 48435.109375 5.35
15062 195.076812744141 14915.5986328125 1.65
15063 204.101287841797 5574.19091796875 0.62
15064 206.006805419922 3512.30712890625 0.39
15065 213.086929321289 7143.0380859375 0.79
15066 223.071517944336 24099.07421875 2.66
15067 231.111724853516 4500.54296875 0.5
15068 240.097366333008 25176.005859375 2.78
15069 241.081497192383 67114.1484375 7.41
15070 249.123306274414 153377.234375 16.94
15071 258.108184814453 74684.1171875 8.25
15072 276.116180419922 4201.1201171875 0.46
15073 277.118377685547 22414.9140625 2.48
15074 410.809265136719 3803.65478515625 0.42
15075
15076 RECORD_TITLE: MZ:423.1868 | RT:84.2 | grpid:664 | file:1
15077 MS$FOCUSED_ION: PRECURSOR_M/Z 423.186798095703
15078 AC$CHROMATOGRAPHY: RETENTION_TIME 84.215802
15079 XCMS groupid (grpid): 664
15080 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
15081 PK$NUM_PEAK: 25
15082 PK$PEAK: m/z int. rel.int.
15083 101.071411132812 46732.83203125 5.16
15084 102.055374145508 88983.625 9.83
15085 103.054443359375 24983.80859375 2.76
15086 105.530052185059 3419.52978515625 0.38
15087 110.183616638184 3628.88647460938 0.4
15088 120.081016540527 905217.25 100
15089 129.066268920898 31941.962890625 3.53
15090 130.049987792969 396376.3125 43.79
15091 131.049407958984 5914.91162109375 0.65
15092 147.076416015625 280807.375 31.02
15093 172.265274047852 3955.26342773438 0.44
15094 186.091079711914 48435.109375 5.35
15095 195.076812744141 14915.5986328125 1.65
15096 204.101287841797 5574.19091796875 0.62
15097 206.006805419922 3512.30712890625 0.39
15098 213.086929321289 7143.0380859375 0.79
15099 223.071517944336 24099.07421875 2.66
15100 231.111724853516 4500.54296875 0.5
15101 240.097366333008 25176.005859375 2.78
15102 241.081497192383 67114.1484375 7.41
15103 249.123306274414 153377.234375 16.94
15104 258.108184814453 74684.1171875 8.25
15105 276.116180419922 4201.1201171875 0.46
15106 277.118377685547 22414.9140625 2.48
15107 410.809265136719 3803.65478515625 0.42
15108
15109 RECORD_TITLE: MZ:429.1367 | RT:71.2 | grpid:678 | file:1
15110 MS$FOCUSED_ION: PRECURSOR_M/Z 429.136749267578
15111 AC$CHROMATOGRAPHY: RETENTION_TIME 71.233434
15112 XCMS groupid (grpid): 678
15113 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
15114 PK$NUM_PEAK: 34
15115 PK$PEAK: m/z int. rel.int.
15116 100.719017028809 3763.74951171875 0.58
15117 109.076683044434 18840.978515625 2.91
15118 110.071876525879 18479.02734375 2.85
15119 112.021873474121 78056.578125 12.04
15120 114.037590026855 15555.1708984375 2.4
15121 122.071655273438 7511.3359375 1.16
15122 126.549896240234 3256.05395507812 0.5
15123 127.032569885254 457077.0625 70.5
15124 128.040374755859 648347.875 100
15125 129.048141479492 51665.93359375 7.97
15126 136.087417602539 19430.15625 3
15127 137.09489440918 21665.439453125 3.34
15128 138.102462768555 31454.048828125 4.85
15129 139.032348632812 69653.890625 10.74
15130 140.147064208984 3347.60473632812 0.52
15131 141.048049926758 132073.6875 20.37
15132 145.079452514648 3976.85620117188 0.61
15133 155.081192016602 30549.0234375 4.71
15134 160.029907226562 30861.3671875 4.76
15135 164.081466674805 7815.2744140625 1.21
15136 167.027679443359 6606.12353515625 1.02
15137 168.059814453125 8062.05712890625 1.24
15138 169.067153930664 6428.11572265625 0.99
15139 170.07453918457 153756.453125 23.72
15140 182.092361450195 359509.125 55.45
15141 184.108322143555 22293.837890625 3.44
15142 185.037658691406 81344.8984375 12.55
15143 208.914321899414 3762.73291015625 0.58
15144 212.58805847168 3808.69091796875 0.59
15145 214.064086914062 37700.02734375 5.81
15146 215.073211669922 13744.177734375 2.12
15147 216.080032348633 237749.8125 36.67
15148 217.347595214844 4307.0146484375 0.66
15149 429.138000488281 48227.66796875 7.44
15150
15151 RECORD_TITLE: MZ:429.1367 | RT:71.2 | grpid:678 | file:1
15152 MS$FOCUSED_ION: PRECURSOR_M/Z 429.136749267578
15153 AC$CHROMATOGRAPHY: RETENTION_TIME 71.233434
15154 XCMS groupid (grpid): 678
15155 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
15156 PK$NUM_PEAK: 34
15157 PK$PEAK: m/z int. rel.int.
15158 100.719017028809 3763.74951171875 0.58
15159 109.076683044434 18840.978515625 2.91
15160 110.071876525879 18479.02734375 2.85
15161 112.021873474121 78056.578125 12.04
15162 114.037590026855 15555.1708984375 2.4
15163 122.071655273438 7511.3359375 1.16
15164 126.549896240234 3256.05395507812 0.5
15165 127.032569885254 457077.0625 70.5
15166 128.040374755859 648347.875 100
15167 129.048141479492 51665.93359375 7.97
15168 136.087417602539 19430.15625 3
15169 137.09489440918 21665.439453125 3.34
15170 138.102462768555 31454.048828125 4.85
15171 139.032348632812 69653.890625 10.74
15172 140.147064208984 3347.60473632812 0.52
15173 141.048049926758 132073.6875 20.37
15174 145.079452514648 3976.85620117188 0.61
15175 155.081192016602 30549.0234375 4.71
15176 160.029907226562 30861.3671875 4.76
15177 164.081466674805 7815.2744140625 1.21
15178 167.027679443359 6606.12353515625 1.02
15179 168.059814453125 8062.05712890625 1.24
15180 169.067153930664 6428.11572265625 0.99
15181 170.07453918457 153756.453125 23.72
15182 182.092361450195 359509.125 55.45
15183 184.108322143555 22293.837890625 3.44
15184 185.037658691406 81344.8984375 12.55
15185 208.914321899414 3762.73291015625 0.58
15186 212.58805847168 3808.69091796875 0.59
15187 214.064086914062 37700.02734375 5.81
15188 215.073211669922 13744.177734375 2.12
15189 216.080032348633 237749.8125 36.67
15190 217.347595214844 4307.0146484375 0.66
15191 429.138000488281 48227.66796875 7.44
15192
15193 RECORD_TITLE: MZ:429.1367 | RT:71.2 | grpid:678 | file:1
15194 MS$FOCUSED_ION: PRECURSOR_M/Z 429.136657714844
15195 AC$CHROMATOGRAPHY: RETENTION_TIME 71.233434
15196 XCMS groupid (grpid): 678
15197 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
15198 PK$NUM_PEAK: 33
15199 PK$PEAK: m/z int. rel.int.
15200 109.076507568359 22044.865234375 3.31
15201 112.021881103516 66717.8671875 10.01
15202 114.025039672852 16686.34765625 2.5
15203 114.03784942627 6451.80712890625 0.97
15204 122.071868896484 6111.48876953125 0.92
15205 127.032615661621 440292.4375 66.09
15206 128.040405273438 666185.875 100
15207 129.048217773438 59429.23046875 8.92
15208 136.077117919922 5078.5029296875 0.76
15209 136.087295532227 17557.265625 2.64
15210 137.094985961914 34755.11328125 5.22
15211 138.102890014648 20192.841796875 3.03
15212 139.032318115234 79038.703125 11.86
15213 141.048095703125 135454.359375 20.33
15214 155.081649780273 32676.794921875 4.91
15215 156.059188842773 3926.3798828125 0.59
15216 160.030471801758 23645.40234375 3.55
15217 164.082214355469 5227.69775390625 0.78
15218 167.027481079102 8476.669921875 1.27
15219 169.067855834961 4015.56958007812 0.6
15220 170.074661254883 128845.4375 19.34
15221 182.092468261719 363728.375 54.6
15222 184.108291625977 17903.1328125 2.69
15223 185.037673950195 76403.6640625 11.47
15224 200.7451171875 3717.48681640625 0.56
15225 214.064651489258 40731.85546875 6.11
15226 215.071594238281 30723.140625 4.61
15227 216.080001831055 235382.03125 35.33
15228 220.97737121582 4221.736328125 0.63
15229 328.149810791016 4235.30517578125 0.64
15230 429.136077880859 48445.8046875 7.27
15231 429.189208984375 7144.87353515625 1.07
15232 443.335296630859 3914.4736328125 0.59
15233
15234 RECORD_TITLE: MZ:429.1367 | RT:71.2 | grpid:678 | file:1
15235 MS$FOCUSED_ION: PRECURSOR_M/Z 429.136657714844
15236 AC$CHROMATOGRAPHY: RETENTION_TIME 71.233434
15237 XCMS groupid (grpid): 678
15238 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
15239 PK$NUM_PEAK: 33
15240 PK$PEAK: m/z int. rel.int.
15241 109.076507568359 22044.865234375 3.31
15242 112.021881103516 66717.8671875 10.01
15243 114.025039672852 16686.34765625 2.5
15244 114.03784942627 6451.80712890625 0.97
15245 122.071868896484 6111.48876953125 0.92
15246 127.032615661621 440292.4375 66.09
15247 128.040405273438 666185.875 100
15248 129.048217773438 59429.23046875 8.92
15249 136.077117919922 5078.5029296875 0.76
15250 136.087295532227 17557.265625 2.64
15251 137.094985961914 34755.11328125 5.22
15252 138.102890014648 20192.841796875 3.03
15253 139.032318115234 79038.703125 11.86
15254 141.048095703125 135454.359375 20.33
15255 155.081649780273 32676.794921875 4.91
15256 156.059188842773 3926.3798828125 0.59
15257 160.030471801758 23645.40234375 3.55
15258 164.082214355469 5227.69775390625 0.78
15259 167.027481079102 8476.669921875 1.27
15260 169.067855834961 4015.56958007812 0.6
15261 170.074661254883 128845.4375 19.34
15262 182.092468261719 363728.375 54.6
15263 184.108291625977 17903.1328125 2.69
15264 185.037673950195 76403.6640625 11.47
15265 200.7451171875 3717.48681640625 0.56
15266 214.064651489258 40731.85546875 6.11
15267 215.071594238281 30723.140625 4.61
15268 216.080001831055 235382.03125 35.33
15269 220.97737121582 4221.736328125 0.63
15270 328.149810791016 4235.30517578125 0.64
15271 429.136077880859 48445.8046875 7.27
15272 429.189208984375 7144.87353515625 1.07
15273 443.335296630859 3914.4736328125 0.59
15274
15275 RECORD_TITLE: MZ:429.1368 | RT:71.4 | grpid:678 | file:2
15276 MS$FOCUSED_ION: PRECURSOR_M/Z 429.136810302734
15277 AC$CHROMATOGRAPHY: RETENTION_TIME 71.396808
15278 XCMS groupid (grpid): 678
15279 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
15280 PK$NUM_PEAK: 32
15281 PK$PEAK: m/z int. rel.int.
15282 100.022125244141 4625.44140625 0.64
15283 109.076416015625 19346.69921875 2.69
15284 110.071472167969 8704.068359375 1.21
15285 110.401245117188 3418.24340820312 0.47
15286 112.021965026855 87844.1875 12.2
15287 113.366981506348 3165.77563476562 0.44
15288 114.024726867676 6157.892578125 0.86
15289 114.037490844727 8374.06640625 1.16
15290 122.071517944336 5513.88037109375 0.77
15291 127.032569885254 459943.3125 63.89
15292 128.040390014648 719854 100
15293 129.048110961914 53584.71875 7.44
15294 131.77490234375 3932.56909179688 0.55
15295 136.086624145508 26817.744140625 3.73
15296 137.094833374023 33191.3671875 4.61
15297 138.102523803711 31406.271484375 4.36
15298 139.032531738281 85316.6328125 11.85
15299 140.118148803711 4881.15966796875 0.68
15300 141.048004150391 152383.03125 21.17
15301 155.081878662109 42803.56640625 5.95
15302 156.059112548828 3953.724609375 0.55
15303 160.029403686523 26025.349609375 3.62
15304 164.081985473633 6645.40478515625 0.92
15305 167.027862548828 4613.89794921875 0.64
15306 170.074584960938 162332.828125 22.55
15307 182.092346191406 357397.625 49.65
15308 184.10823059082 20024.080078125 2.78
15309 185.037933349609 71179.25 9.89
15310 214.063705444336 40155.98046875 5.58
15311 215.072799682617 20763.31640625 2.88
15312 216.080032348633 214835.734375 29.84
15313 429.137145996094 43531.05078125 6.05
15314
15315 RECORD_TITLE: MZ:429.1368 | RT:71.4 | grpid:678 | file:2
15316 MS$FOCUSED_ION: PRECURSOR_M/Z 429.136810302734
15317 AC$CHROMATOGRAPHY: RETENTION_TIME 71.396808
15318 XCMS groupid (grpid): 678
15319 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
15320 PK$NUM_PEAK: 32
15321 PK$PEAK: m/z int. rel.int.
15322 100.022125244141 4625.44140625 0.64
15323 109.076416015625 19346.69921875 2.69
15324 110.071472167969 8704.068359375 1.21
15325 110.401245117188 3418.24340820312 0.47
15326 112.021965026855 87844.1875 12.2
15327 113.366981506348 3165.77563476562 0.44
15328 114.024726867676 6157.892578125 0.86
15329 114.037490844727 8374.06640625 1.16
15330 122.071517944336 5513.88037109375 0.77
15331 127.032569885254 459943.3125 63.89
15332 128.040390014648 719854 100
15333 129.048110961914 53584.71875 7.44
15334 131.77490234375 3932.56909179688 0.55
15335 136.086624145508 26817.744140625 3.73
15336 137.094833374023 33191.3671875 4.61
15337 138.102523803711 31406.271484375 4.36
15338 139.032531738281 85316.6328125 11.85
15339 140.118148803711 4881.15966796875 0.68
15340 141.048004150391 152383.03125 21.17
15341 155.081878662109 42803.56640625 5.95
15342 156.059112548828 3953.724609375 0.55
15343 160.029403686523 26025.349609375 3.62
15344 164.081985473633 6645.40478515625 0.92
15345 167.027862548828 4613.89794921875 0.64
15346 170.074584960938 162332.828125 22.55
15347 182.092346191406 357397.625 49.65
15348 184.10823059082 20024.080078125 2.78
15349 185.037933349609 71179.25 9.89
15350 214.063705444336 40155.98046875 5.58
15351 215.072799682617 20763.31640625 2.88
15352 216.080032348633 214835.734375 29.84
15353 429.137145996094 43531.05078125 6.05
15354
15355 RECORD_TITLE: MZ:429.1367 | RT:71.4 | grpid:678 | file:2
15356 MS$FOCUSED_ION: PRECURSOR_M/Z 429.136688232422
15357 AC$CHROMATOGRAPHY: RETENTION_TIME 71.396808
15358 XCMS groupid (grpid): 678
15359 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
15360 PK$NUM_PEAK: 38
15361 PK$PEAK: m/z int. rel.int.
15362 107.576271057129 4735.4990234375 0.59
15363 109.07649230957 21691.41796875 2.68
15364 110.071670532227 13312.728515625 1.65
15365 112.021759033203 87364.3046875 10.8
15366 114.037368774414 16917.806640625 2.09
15367 115.541198730469 3385.00244140625 0.42
15368 121.469749450684 3152.97924804688 0.39
15369 122.07152557373 6929.45947265625 0.86
15370 126.233474731445 3327.49194335938 0.41
15371 127.032577514648 527242.625 65.2
15372 128.040374755859 808653.5 100
15373 129.048263549805 64529.76171875 7.98
15374 129.066558837891 4622.013671875 0.57
15375 136.077026367188 5215.736328125 0.64
15376 136.086959838867 22264.021484375 2.75
15377 137.094802856445 40026.484375 4.95
15378 138.102523803711 30174.3828125 3.73
15379 139.032348632812 74597.046875 9.22
15380 140.118377685547 5621.3935546875 0.7
15381 141.04801940918 154674.65625 19.13
15382 142.019592285156 3923.31298828125 0.49
15383 155.081085205078 37450.2578125 4.63
15384 158.311553955078 3326.94677734375 0.41
15385 160.030166625977 29954.84375 3.7
15386 160.364395141602 3934.6845703125 0.49
15387 164.08171081543 7851.50390625 0.97
15388 167.027648925781 17623.96875 2.18
15389 168.05908203125 4920.30078125 0.61
15390 170.07453918457 172543.546875 21.34
15391 182.092407226562 422166.375 52.21
15392 184.107681274414 29921.416015625 3.7
15393 185.037811279297 103199.3671875 12.76
15394 192.237030029297 4258.80029296875 0.53
15395 214.064086914062 41890.56640625 5.18
15396 215.072387695312 30280.93359375 3.74
15397 216.080032348633 273273.9375 33.79
15398 429.138336181641 53041.6484375 6.56
15399 429.190673828125 6378.42626953125 0.79
15400
15401 RECORD_TITLE: MZ:429.1367 | RT:71.4 | grpid:678 | file:2
15402 MS$FOCUSED_ION: PRECURSOR_M/Z 429.136688232422
15403 AC$CHROMATOGRAPHY: RETENTION_TIME 71.396808
15404 XCMS groupid (grpid): 678
15405 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
15406 PK$NUM_PEAK: 38
15407 PK$PEAK: m/z int. rel.int.
15408 107.576271057129 4735.4990234375 0.59
15409 109.07649230957 21691.41796875 2.68
15410 110.071670532227 13312.728515625 1.65
15411 112.021759033203 87364.3046875 10.8
15412 114.037368774414 16917.806640625 2.09
15413 115.541198730469 3385.00244140625 0.42
15414 121.469749450684 3152.97924804688 0.39
15415 122.07152557373 6929.45947265625 0.86
15416 126.233474731445 3327.49194335938 0.41
15417 127.032577514648 527242.625 65.2
15418 128.040374755859 808653.5 100
15419 129.048263549805 64529.76171875 7.98
15420 129.066558837891 4622.013671875 0.57
15421 136.077026367188 5215.736328125 0.64
15422 136.086959838867 22264.021484375 2.75
15423 137.094802856445 40026.484375 4.95
15424 138.102523803711 30174.3828125 3.73
15425 139.032348632812 74597.046875 9.22
15426 140.118377685547 5621.3935546875 0.7
15427 141.04801940918 154674.65625 19.13
15428 142.019592285156 3923.31298828125 0.49
15429 155.081085205078 37450.2578125 4.63
15430 158.311553955078 3326.94677734375 0.41
15431 160.030166625977 29954.84375 3.7
15432 160.364395141602 3934.6845703125 0.49
15433 164.08171081543 7851.50390625 0.97
15434 167.027648925781 17623.96875 2.18
15435 168.05908203125 4920.30078125 0.61
15436 170.07453918457 172543.546875 21.34
15437 182.092407226562 422166.375 52.21
15438 184.107681274414 29921.416015625 3.7
15439 185.037811279297 103199.3671875 12.76
15440 192.237030029297 4258.80029296875 0.53
15441 214.064086914062 41890.56640625 5.18
15442 215.072387695312 30280.93359375 3.74
15443 216.080032348633 273273.9375 33.79
15444 429.138336181641 53041.6484375 6.56
15445 429.190673828125 6378.42626953125 0.79
15446
15447 RECORD_TITLE: MZ:436.2162 | RT:113.6 | grpid:699 | file:1
15448 MS$FOCUSED_ION: PRECURSOR_M/Z 436.216247558594
15449 AC$CHROMATOGRAPHY: RETENTION_TIME 113.597328
15450 XCMS groupid (grpid): 699
15451 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
15452 PK$NUM_PEAK: 10
15453 PK$PEAK: m/z int. rel.int.
15454 114.550689697266 3498.04321289062 3.12
15455 126.055046081543 4136.9013671875 3.69
15456 198.05632019043 3261.10668945312 2.91
15457 211.105438232422 20831.2734375 18.6
15458 238.933578491211 3566.369140625 3.18
15459 308.157409667969 49625.7265625 44.32
15460 308.725555419922 3355.22119140625 3
15461 391.194641113281 36035.12109375 32.18
15462 419.187896728516 22114.62890625 19.75
15463 436.216918945312 111983.46875 100
15464
15465 RECORD_TITLE: MZ:436.2162 | RT:113.6 | grpid:699 | file:1
15466 MS$FOCUSED_ION: PRECURSOR_M/Z 436.216247558594
15467 AC$CHROMATOGRAPHY: RETENTION_TIME 113.597328
15468 XCMS groupid (grpid): 699
15469 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
15470 PK$NUM_PEAK: 10
15471 PK$PEAK: m/z int. rel.int.
15472 114.550689697266 3498.04321289062 3.12
15473 126.055046081543 4136.9013671875 3.69
15474 198.05632019043 3261.10668945312 2.91
15475 211.105438232422 20831.2734375 18.6
15476 238.933578491211 3566.369140625 3.18
15477 308.157409667969 49625.7265625 44.32
15478 308.725555419922 3355.22119140625 3
15479 391.194641113281 36035.12109375 32.18
15480 419.187896728516 22114.62890625 19.75
15481 436.216918945312 111983.46875 100
15482
15483 RECORD_TITLE: MZ:437.26 | RT:82.7 | grpid:705 | file:1
15484 MS$FOCUSED_ION: PRECURSOR_M/Z 437.259979248047
15485 AC$CHROMATOGRAPHY: RETENTION_TIME 82.686066
15486 XCMS groupid (grpid): 705
15487 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
15488 PK$NUM_PEAK: 10
15489 PK$PEAK: m/z int. rel.int.
15490 132.101959228516 26250.365234375 82.02
15491 147.764419555664 3555.626953125 11.11
15492 173.128616333008 14910.4609375 46.59
15493 219.134216308594 19101.32421875 59.68
15494 237.121032714844 7274.22998046875 22.73
15495 241.079193115234 6411.599609375 20.03
15496 272.117065429688 3352.75439453125 10.48
15497 338.132080078125 19161.25 59.87
15498 434.605041503906 3691.54809570312 11.53
15499 437.200073242188 32005.328125 100
15500
15501 RECORD_TITLE: MZ:437.26 | RT:82.7 | grpid:705 | file:1
15502 MS$FOCUSED_ION: PRECURSOR_M/Z 437.259979248047
15503 AC$CHROMATOGRAPHY: RETENTION_TIME 82.686066
15504 XCMS groupid (grpid): 705
15505 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
15506 PK$NUM_PEAK: 10
15507 PK$PEAK: m/z int. rel.int.
15508 132.101959228516 26250.365234375 82.02
15509 147.764419555664 3555.626953125 11.11
15510 173.128616333008 14910.4609375 46.59
15511 219.134216308594 19101.32421875 59.68
15512 237.121032714844 7274.22998046875 22.73
15513 241.079193115234 6411.599609375 20.03
15514 272.117065429688 3352.75439453125 10.48
15515 338.132080078125 19161.25 59.87
15516 434.605041503906 3691.54809570312 11.53
15517 437.200073242188 32005.328125 100
15518
15519 RECORD_TITLE: MZ:437.26 | RT:82.9 | grpid:705 | file:2
15520 MS$FOCUSED_ION: PRECURSOR_M/Z 437.260040283203
15521 AC$CHROMATOGRAPHY: RETENTION_TIME 82.86993
15522 XCMS groupid (grpid): 705
15523 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
15524 PK$NUM_PEAK: 17
15525 PK$PEAK: m/z int. rel.int.
15526 101.581962585449 3264.87109375 10.21
15527 116.071166992188 3482.65063476562 10.89
15528 132.102020263672 19473.271484375 60.91
15529 140.506622314453 3661.59790039062 11.45
15530 166.32194519043 3513.9169921875 10.99
15531 173.128753662109 15184.3408203125 47.5
15532 190.630355834961 3462.4130859375 10.83
15533 219.134170532227 18775.388671875 58.73
15534 223.021774291992 3237.18212890625 10.13
15535 237.121124267578 13793.3681640625 43.15
15536 241.079345703125 14506.5341796875 45.38
15537 272.986541748047 3474.1796875 10.87
15538 298.806793212891 3269.32861328125 10.23
15539 319.409149169922 3631.1552734375 11.36
15540 328.813140869141 3904.8525390625 12.21
15541 338.132141113281 23234.115234375 72.68
15542 437.202575683594 31969.298828125 100
15543
15544 RECORD_TITLE: MZ:437.26 | RT:82.9 | grpid:705 | file:2
15545 MS$FOCUSED_ION: PRECURSOR_M/Z 437.260040283203
15546 AC$CHROMATOGRAPHY: RETENTION_TIME 82.86993
15547 XCMS groupid (grpid): 705
15548 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
15549 PK$NUM_PEAK: 17
15550 PK$PEAK: m/z int. rel.int.
15551 101.581962585449 3264.87109375 10.21
15552 116.071166992188 3482.65063476562 10.89
15553 132.102020263672 19473.271484375 60.91
15554 140.506622314453 3661.59790039062 11.45
15555 166.32194519043 3513.9169921875 10.99
15556 173.128753662109 15184.3408203125 47.5
15557 190.630355834961 3462.4130859375 10.83
15558 219.134170532227 18775.388671875 58.73
15559 223.021774291992 3237.18212890625 10.13
15560 237.121124267578 13793.3681640625 43.15
15561 241.079345703125 14506.5341796875 45.38
15562 272.986541748047 3474.1796875 10.87
15563 298.806793212891 3269.32861328125 10.23
15564 319.409149169922 3631.1552734375 11.36
15565 328.813140869141 3904.8525390625 12.21
15566 338.132141113281 23234.115234375 72.68
15567 437.202575683594 31969.298828125 100
15568
15569 RECORD_TITLE: MZ:452.1902 | RT:112.8 | grpid:739 | file:1
15570 MS$FOCUSED_ION: PRECURSOR_M/Z 452.190155029297
15571 AC$CHROMATOGRAPHY: RETENTION_TIME 112.786446
15572 XCMS groupid (grpid): 739
15573 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
15574 PK$NUM_PEAK: 4
15575 PK$PEAK: m/z int. rel.int.
15576 173.128677368164 4687.68310546875 10.24
15577 242.185913085938 4649.87841796875 10.16
15578 431.172515869141 3883.38818359375 8.48
15579 452.188873291016 45768.69140625 100
15580
15581 RECORD_TITLE: MZ:452.1902 | RT:112.8 | grpid:739 | file:1
15582 MS$FOCUSED_ION: PRECURSOR_M/Z 452.190155029297
15583 AC$CHROMATOGRAPHY: RETENTION_TIME 112.786446
15584 XCMS groupid (grpid): 739
15585 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
15586 PK$NUM_PEAK: 4
15587 PK$PEAK: m/z int. rel.int.
15588 173.128677368164 4687.68310546875 10.24
15589 242.185913085938 4649.87841796875 10.16
15590 431.172515869141 3883.38818359375 8.48
15591 452.188873291016 45768.69140625 100
15592
15593 RECORD_TITLE: MZ:452.1902 | RT:113 | grpid:739 | file:2
15594 MS$FOCUSED_ION: PRECURSOR_M/Z 452.190155029297
15595 AC$CHROMATOGRAPHY: RETENTION_TIME 112.983072
15596 XCMS groupid (grpid): 739
15597 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
15598 PK$NUM_PEAK: 7
15599 PK$PEAK: m/z int. rel.int.
15600 102.97029876709 3784.47021484375 9.16
15601 104.049896240234 3122.90185546875 7.56
15602 116.335182189941 3076.12817382812 7.45
15603 116.576026916504 2942.82885742188 7.12
15604 173.128372192383 19179.625 46.43
15605 183.460662841797 3233.1337890625 7.83
15606 452.1904296875 41310.8359375 100
15607
15608 RECORD_TITLE: MZ:452.1902 | RT:113 | grpid:739 | file:2
15609 MS$FOCUSED_ION: PRECURSOR_M/Z 452.190155029297
15610 AC$CHROMATOGRAPHY: RETENTION_TIME 112.983072
15611 XCMS groupid (grpid): 739
15612 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
15613 PK$NUM_PEAK: 7
15614 PK$PEAK: m/z int. rel.int.
15615 102.97029876709 3784.47021484375 9.16
15616 104.049896240234 3122.90185546875 7.56
15617 116.335182189941 3076.12817382812 7.45
15618 116.576026916504 2942.82885742188 7.12
15619 173.128372192383 19179.625 46.43
15620 183.460662841797 3233.1337890625 7.83
15621 452.1904296875 41310.8359375 100
15622
15623 RECORD_TITLE: MZ:461.2099 | RT:76.5 | grpid:757 | file:1
15624 MS$FOCUSED_ION: PRECURSOR_M/Z 461.209899902344
15625 AC$CHROMATOGRAPHY: RETENTION_TIME 76.520544
15626 XCMS groupid (grpid): 757
15627 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
15628 PK$NUM_PEAK: 6
15629 PK$PEAK: m/z int. rel.int.
15630 112.037246704102 77182.6015625 4.57
15631 150.591278076172 5008.4482421875 0.3
15632 153.052520751953 54224.6796875 3.21
15633 194.079025268555 6284.025390625 0.37
15634 224.089447021484 78458.5234375 4.65
15635 242.099761962891 1689058.875 100
15636
15637 RECORD_TITLE: MZ:461.2099 | RT:76.5 | grpid:757 | file:1
15638 MS$FOCUSED_ION: PRECURSOR_M/Z 461.209899902344
15639 AC$CHROMATOGRAPHY: RETENTION_TIME 76.520544
15640 XCMS groupid (grpid): 757
15641 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
15642 PK$NUM_PEAK: 6
15643 PK$PEAK: m/z int. rel.int.
15644 112.037246704102 77182.6015625 4.57
15645 150.591278076172 5008.4482421875 0.3
15646 153.052520751953 54224.6796875 3.21
15647 194.079025268555 6284.025390625 0.37
15648 224.089447021484 78458.5234375 4.65
15649 242.099761962891 1689058.875 100
15650
15651 RECORD_TITLE: MZ:461.2099 | RT:77.5 | grpid:757 | file:2
15652 MS$FOCUSED_ION: PRECURSOR_M/Z 461.209899902344
15653 AC$CHROMATOGRAPHY: RETENTION_TIME 77.474424
15654 XCMS groupid (grpid): 757
15655 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
15656 PK$NUM_PEAK: 9
15657 PK$PEAK: m/z int. rel.int.
15658 108.938446044922 3487.57153320312 0.29
15659 110.10814666748 3973.40063476562 0.33
15660 112.037155151367 50994.21484375 4.27
15661 143.304336547852 4037.703125 0.34
15662 153.052108764648 29027.23828125 2.43
15663 194.078918457031 4671.78271484375 0.39
15664 224.089462280273 48872.16015625 4.09
15665 242.09977722168 1194436.5 100
15666 483.839416503906 4609.6552734375 0.39
15667
15668 RECORD_TITLE: MZ:461.2099 | RT:77.5 | grpid:757 | file:2
15669 MS$FOCUSED_ION: PRECURSOR_M/Z 461.209899902344
15670 AC$CHROMATOGRAPHY: RETENTION_TIME 77.474424
15671 XCMS groupid (grpid): 757
15672 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
15673 PK$NUM_PEAK: 9
15674 PK$PEAK: m/z int. rel.int.
15675 108.938446044922 3487.57153320312 0.29
15676 110.10814666748 3973.40063476562 0.33
15677 112.037155151367 50994.21484375 4.27
15678 143.304336547852 4037.703125 0.34
15679 153.052108764648 29027.23828125 2.43
15680 194.078918457031 4671.78271484375 0.39
15681 224.089462280273 48872.16015625 4.09
15682 242.09977722168 1194436.5 100
15683 483.839416503906 4609.6552734375 0.39
15684
15685 RECORD_TITLE: MZ:462.2188 | RT:57.7 | grpid:759 | file:2
15686 MS$FOCUSED_ION: PRECURSOR_M/Z 462.218811035156
15687 AC$CHROMATOGRAPHY: RETENTION_TIME 57.7060356
15688 XCMS groupid (grpid): 759
15689 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
15690 PK$NUM_PEAK: 33
15691 PK$PEAK: m/z int. rel.int.
15692 102.055290222168 25408.091796875 7.69
15693 114.073616027832 4833.80419921875 1.46
15694 115.087074279785 4629.81689453125 1.4
15695 116.070701599121 7154.1357421875 2.16
15696 118.086708068848 16256.9169921875 4.92
15697 120.065902709961 45274.0078125 13.7
15698 127.086898803711 6351.52294921875 1.92
15699 129.102325439453 330451.9375 100
15700 130.050109863281 20902.541015625 6.33
15701 139.086563110352 4282.58251953125 1.3
15702 141.065887451172 19794.552734375 5.99
15703 143.081634521484 4180.470703125 1.27
15704 145.060836791992 12183.693359375 3.69
15705 155.082183837891 6239.6240234375 1.89
15706 155.117782592773 16064.8671875 4.86
15707 157.097106933594 126526.3125 38.29
15708 159.076431274414 88771.7109375 26.86
15709 169.824691772461 3394.9814453125 1.03
15710 173.09196472168 47060.4453125 14.24
15711 175.107482910156 14841.31640625 4.49
15712 183.076766967773 6105.44970703125 1.85
15713 183.113021850586 14382.08203125 4.35
15714 187.071426391602 43003.76171875 13.01
15715 187.107849121094 41273.53125 12.49
15716 191.102890014648 6334.61572265625 1.92
15717 215.102142333984 27825.716796875 8.42
15718 252.097564697266 4154.2255859375 1.26
15719 262.139984130859 4305.97509765625 1.3
15720 270.107604980469 18771.7109375 5.68
15721 272.124145507812 107939.2109375 32.66
15722 274.102722167969 5811.99951171875 1.76
15723 288.119079589844 46286.41015625 14.01
15724 359.028900146484 14643.9267578125 4.43
15725
15726 RECORD_TITLE: MZ:462.2188 | RT:57.7 | grpid:759 | file:2
15727 MS$FOCUSED_ION: PRECURSOR_M/Z 462.218811035156
15728 AC$CHROMATOGRAPHY: RETENTION_TIME 57.7060356
15729 XCMS groupid (grpid): 759
15730 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
15731 PK$NUM_PEAK: 33
15732 PK$PEAK: m/z int. rel.int.
15733 102.055290222168 25408.091796875 7.69
15734 114.073616027832 4833.80419921875 1.46
15735 115.087074279785 4629.81689453125 1.4
15736 116.070701599121 7154.1357421875 2.16
15737 118.086708068848 16256.9169921875 4.92
15738 120.065902709961 45274.0078125 13.7
15739 127.086898803711 6351.52294921875 1.92
15740 129.102325439453 330451.9375 100
15741 130.050109863281 20902.541015625 6.33
15742 139.086563110352 4282.58251953125 1.3
15743 141.065887451172 19794.552734375 5.99
15744 143.081634521484 4180.470703125 1.27
15745 145.060836791992 12183.693359375 3.69
15746 155.082183837891 6239.6240234375 1.89
15747 155.117782592773 16064.8671875 4.86
15748 157.097106933594 126526.3125 38.29
15749 159.076431274414 88771.7109375 26.86
15750 169.824691772461 3394.9814453125 1.03
15751 173.09196472168 47060.4453125 14.24
15752 175.107482910156 14841.31640625 4.49
15753 183.076766967773 6105.44970703125 1.85
15754 183.113021850586 14382.08203125 4.35
15755 187.071426391602 43003.76171875 13.01
15756 187.107849121094 41273.53125 12.49
15757 191.102890014648 6334.61572265625 1.92
15758 215.102142333984 27825.716796875 8.42
15759 252.097564697266 4154.2255859375 1.26
15760 262.139984130859 4305.97509765625 1.3
15761 270.107604980469 18771.7109375 5.68
15762 272.124145507812 107939.2109375 32.66
15763 274.102722167969 5811.99951171875 1.76
15764 288.119079589844 46286.41015625 14.01
15765 359.028900146484 14643.9267578125 4.43
15766
15767 RECORD_TITLE: MZ:476.1868 | RT:81.2 | grpid:787 | file:1
15768 MS$FOCUSED_ION: PRECURSOR_M/Z 476.186828613281
15769 AC$CHROMATOGRAPHY: RETENTION_TIME 81.162672
15770 XCMS groupid (grpid): 787
15771 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
15772 PK$NUM_PEAK: 25
15773 PK$PEAK: m/z int. rel.int.
15774 102.055404663086 20465.25 11.34
15775 102.06177520752 3275.78784179688 1.82
15776 103.278198242188 3364.96044921875 1.86
15777 112.885681152344 3330.005859375 1.85
15778 116.070892333984 18159.37890625 10.06
15779 126.054763793945 43490.20703125 24.1
15780 127.058601379395 15861.7431640625 8.79
15781 130.049987792969 19434.638671875 10.77
15782 131.052932739258 3582.9775390625 1.99
15783 138.054931640625 180482.1875 100
15784 139.058502197266 99697.390625 55.24
15785 144.065490722656 49917.9921875 27.66
15786 145.068832397461 21013.943359375 11.64
15787 148.06037902832 60128.3203125 33.32
15788 149.063781738281 16193.435546875 8.97
15789 164.992126464844 3413.22827148438 1.89
15790 168.065734863281 34263.20703125 18.98
15791 169.069137573242 19527.5078125 10.82
15792 186.076034545898 28047.16015625 15.54
15793 187.079391479492 15926.552734375 8.82
15794 218.489898681641 3360.4560546875 1.86
15795 276.075775146484 5057.33740234375 2.8
15796 292.791442871094 3937.0400390625 2.18
15797 302.142669677734 24162.619140625 13.39
15798 396.660095214844 3955.03051757812 2.19
15799
15800 RECORD_TITLE: MZ:476.1868 | RT:81.2 | grpid:787 | file:1
15801 MS$FOCUSED_ION: PRECURSOR_M/Z 476.186828613281
15802 AC$CHROMATOGRAPHY: RETENTION_TIME 81.162672
15803 XCMS groupid (grpid): 787
15804 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
15805 PK$NUM_PEAK: 25
15806 PK$PEAK: m/z int. rel.int.
15807 102.055404663086 20465.25 11.34
15808 102.06177520752 3275.78784179688 1.82
15809 103.278198242188 3364.96044921875 1.86
15810 112.885681152344 3330.005859375 1.85
15811 116.070892333984 18159.37890625 10.06
15812 126.054763793945 43490.20703125 24.1
15813 127.058601379395 15861.7431640625 8.79
15814 130.049987792969 19434.638671875 10.77
15815 131.052932739258 3582.9775390625 1.99
15816 138.054931640625 180482.1875 100
15817 139.058502197266 99697.390625 55.24
15818 144.065490722656 49917.9921875 27.66
15819 145.068832397461 21013.943359375 11.64
15820 148.06037902832 60128.3203125 33.32
15821 149.063781738281 16193.435546875 8.97
15822 164.992126464844 3413.22827148438 1.89
15823 168.065734863281 34263.20703125 18.98
15824 169.069137573242 19527.5078125 10.82
15825 186.076034545898 28047.16015625 15.54
15826 187.079391479492 15926.552734375 8.82
15827 218.489898681641 3360.4560546875 1.86
15828 276.075775146484 5057.33740234375 2.8
15829 292.791442871094 3937.0400390625 2.18
15830 302.142669677734 24162.619140625 13.39
15831 396.660095214844 3955.03051757812 2.19
15832
15833 RECORD_TITLE: MZ:476.187 | RT:81.3 | grpid:787 | file:2
15834 MS$FOCUSED_ION: PRECURSOR_M/Z 476.186981201172
15835 AC$CHROMATOGRAPHY: RETENTION_TIME 81.344292
15836 XCMS groupid (grpid): 787
15837 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
15838 PK$NUM_PEAK: 22
15839 PK$PEAK: m/z int. rel.int.
15840 102.055328369141 20673.876953125 11.67
15841 116.070785522461 22201.716796875 12.53
15842 126.055053710938 32399.587890625 18.28
15843 127.058502197266 7502.18603515625 4.23
15844 130.050018310547 7830.02587890625 4.42
15845 138.055023193359 177192.3125 100
15846 139.058303833008 75495.484375 42.61
15847 144.065582275391 48090.71875 27.14
15848 145.068878173828 14527.271484375 8.2
15849 148.060287475586 50748.44140625 28.64
15850 149.064025878906 19258.330078125 10.87
15851 168.065933227539 29146.37890625 16.45
15852 169.068939208984 18230.23046875 10.29
15853 186.076019287109 17442.25 9.84
15854 187.079437255859 19129.1875 10.8
15855 199.405822753906 3979.18115234375 2.25
15856 241.122634887695 3873.60595703125 2.19
15857 259.666381835938 4058.85961914062 2.29
15858 267.132629394531 3835.806640625 2.16
15859 276.075805664062 5290.05908203125 2.99
15860 301.139099121094 8046.48291015625 4.54
15861 302.141845703125 19948.310546875 11.26
15862
15863 RECORD_TITLE: MZ:476.187 | RT:81.3 | grpid:787 | file:2
15864 MS$FOCUSED_ION: PRECURSOR_M/Z 476.186981201172
15865 AC$CHROMATOGRAPHY: RETENTION_TIME 81.344292
15866 XCMS groupid (grpid): 787
15867 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
15868 PK$NUM_PEAK: 22
15869 PK$PEAK: m/z int. rel.int.
15870 102.055328369141 20673.876953125 11.67
15871 116.070785522461 22201.716796875 12.53
15872 126.055053710938 32399.587890625 18.28
15873 127.058502197266 7502.18603515625 4.23
15874 130.050018310547 7830.02587890625 4.42
15875 138.055023193359 177192.3125 100
15876 139.058303833008 75495.484375 42.61
15877 144.065582275391 48090.71875 27.14
15878 145.068878173828 14527.271484375 8.2
15879 148.060287475586 50748.44140625 28.64
15880 149.064025878906 19258.330078125 10.87
15881 168.065933227539 29146.37890625 16.45
15882 169.068939208984 18230.23046875 10.29
15883 186.076019287109 17442.25 9.84
15884 187.079437255859 19129.1875 10.8
15885 199.405822753906 3979.18115234375 2.25
15886 241.122634887695 3873.60595703125 2.19
15887 259.666381835938 4058.85961914062 2.29
15888 267.132629394531 3835.806640625 2.16
15889 276.075805664062 5290.05908203125 2.99
15890 301.139099121094 8046.48291015625 4.54
15891 302.141845703125 19948.310546875 11.26
15892
15893 RECORD_TITLE: MZ:476.187 | RT:81.3 | grpid:787 | file:2
15894 MS$FOCUSED_ION: PRECURSOR_M/Z 476.187042236328
15895 AC$CHROMATOGRAPHY: RETENTION_TIME 81.344292
15896 XCMS groupid (grpid): 787
15897 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
15898 PK$NUM_PEAK: 22
15899 PK$PEAK: m/z int. rel.int.
15900 102.055328369141 22602.8671875 8.37
15901 103.568260192871 3338.787109375 1.24
15902 109.02855682373 5442.65234375 2.02
15903 116.07088470459 19897.814453125 7.37
15904 117.074157714844 4382.4052734375 1.62
15905 126.055374145508 51406.1171875 19.04
15906 127.058456420898 22398.7109375 8.3
15907 130.050048828125 22067.697265625 8.17
15908 138.054916381836 269978.96875 100
15909 139.058486938477 126771.1875 46.96
15910 144.065582275391 61227.703125 22.68
15911 145.069046020508 33886.6875 12.55
15912 148.060440063477 91076.7421875 33.73
15913 149.064071655273 26683.80078125 9.88
15914 168.065292358398 40215.578125 14.9
15915 169.069198608398 34653.2890625 12.84
15916 186.076416015625 39170.015625 14.51
15917 187.079940795898 24879.5 9.22
15918 301.139862060547 19206.294921875 7.11
15919 302.141815185547 33403.7578125 12.37
15920 360.640808105469 4196.35400390625 1.55
15921 480.125091552734 3905.12133789062 1.45
15922
15923 RECORD_TITLE: MZ:476.187 | RT:81.3 | grpid:787 | file:2
15924 MS$FOCUSED_ION: PRECURSOR_M/Z 476.187042236328
15925 AC$CHROMATOGRAPHY: RETENTION_TIME 81.344292
15926 XCMS groupid (grpid): 787
15927 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
15928 PK$NUM_PEAK: 22
15929 PK$PEAK: m/z int. rel.int.
15930 102.055328369141 22602.8671875 8.37
15931 103.568260192871 3338.787109375 1.24
15932 109.02855682373 5442.65234375 2.02
15933 116.07088470459 19897.814453125 7.37
15934 117.074157714844 4382.4052734375 1.62
15935 126.055374145508 51406.1171875 19.04
15936 127.058456420898 22398.7109375 8.3
15937 130.050048828125 22067.697265625 8.17
15938 138.054916381836 269978.96875 100
15939 139.058486938477 126771.1875 46.96
15940 144.065582275391 61227.703125 22.68
15941 145.069046020508 33886.6875 12.55
15942 148.060440063477 91076.7421875 33.73
15943 149.064071655273 26683.80078125 9.88
15944 168.065292358398 40215.578125 14.9
15945 169.069198608398 34653.2890625 12.84
15946 186.076416015625 39170.015625 14.51
15947 187.079940795898 24879.5 9.22
15948 301.139862060547 19206.294921875 7.11
15949 302.141815185547 33403.7578125 12.37
15950 360.640808105469 4196.35400390625 1.55
15951 480.125091552734 3905.12133789062 1.45
15952
15953 RECORD_TITLE: MZ:487.1776 | RT:66.7 | grpid:812 | file:1
15954 MS$FOCUSED_ION: PRECURSOR_M/Z 487.177612304688
15955 AC$CHROMATOGRAPHY: RETENTION_TIME 66.710418
15956 XCMS groupid (grpid): 812
15957 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
15958 PK$NUM_PEAK: 6
15959 PK$PEAK: m/z int. rel.int.
15960 103.690208435059 5716.66162109375 0.05
15961 112.050834655762 10987300 100
15962 174.621200561523 5244.80419921875 0.05
15963 200.266555786133 5990.37744140625 0.05
15964 244.092468261719 104115.34375 0.95
15965 448.8837890625 6051.86181640625 0.06
15966
15967 RECORD_TITLE: MZ:487.1776 | RT:66.7 | grpid:812 | file:1
15968 MS$FOCUSED_ION: PRECURSOR_M/Z 487.177612304688
15969 AC$CHROMATOGRAPHY: RETENTION_TIME 66.710418
15970 XCMS groupid (grpid): 812
15971 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
15972 PK$NUM_PEAK: 6
15973 PK$PEAK: m/z int. rel.int.
15974 103.690208435059 5716.66162109375 0.05
15975 112.050834655762 10987300 100
15976 174.621200561523 5244.80419921875 0.05
15977 200.266555786133 5990.37744140625 0.05
15978 244.092468261719 104115.34375 0.95
15979 448.8837890625 6051.86181640625 0.06
15980
15981 RECORD_TITLE: MZ:487.1779 | RT:66.9 | grpid:812 | file:2
15982 MS$FOCUSED_ION: PRECURSOR_M/Z 487.177856445312
15983 AC$CHROMATOGRAPHY: RETENTION_TIME 66.865908
15984 XCMS groupid (grpid): 812
15985 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
15986 PK$NUM_PEAK: 3
15987 PK$PEAK: m/z int. rel.int.
15988 112.050857543945 12582074 100
15989 244.092895507812 124155.421875 0.99
15990 294.906677246094 6473.75732421875 0.05
15991
15992 RECORD_TITLE: MZ:487.1779 | RT:66.9 | grpid:812 | file:2
15993 MS$FOCUSED_ION: PRECURSOR_M/Z 487.177856445312
15994 AC$CHROMATOGRAPHY: RETENTION_TIME 66.865908
15995 XCMS groupid (grpid): 812
15996 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
15997 PK$NUM_PEAK: 3
15998 PK$PEAK: m/z int. rel.int.
15999 112.050857543945 12582074 100
16000 244.092895507812 124155.421875 0.99
16001 294.906677246094 6473.75732421875 0.05
16002
16003 RECORD_TITLE: MZ:494.1976 | RT:49.9 | grpid:830 | file:1
16004 MS$FOCUSED_ION: PRECURSOR_M/Z 494.197631835938
16005 AC$CHROMATOGRAPHY: RETENTION_TIME 49.9356528
16006 XCMS groupid (grpid): 830
16007 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
16008 PK$NUM_PEAK: 31
16009 PK$PEAK: m/z int. rel.int.
16010 102.055335998535 154721.296875 15
16011 102.392883300781 3496.21337890625 0.34
16012 108.04434967041 4591.63720703125 0.45
16013 109.028770446777 37006.1171875 3.59
16014 112.050483703613 5202.08544921875 0.5
16015 114.055534362793 7487.91796875 0.73
16016 116.070945739746 152841.71875 14.82
16017 126.055137634277 384054.9375 37.24
16018 127.038932800293 16765.65234375 1.63
16019 130.049896240234 134547.890625 13.05
16020 131.064346313477 4367.2939453125 0.42
16021 133.538024902344 3557.1923828125 0.34
16022 134.355972290039 4310.93603515625 0.42
16023 138.054977416992 1031208.0625 100
16024 140.379119873047 4150.32763671875 0.4
16025 144.054061889648 6955.7412109375 0.67
16026 144.065582275391 279825.71875 27.14
16027 148.060394287109 517862.25 50.22
16028 168.051147460938 6748.05224609375 0.65
16029 168.065536499023 166781.046875 16.17
16030 186.076080322266 123645.5625 11.99
16031 219.097274780273 9423.3818359375 0.91
16032 230.102645874023 6362.16259765625 0.62
16033 258.096160888672 9424.5302734375 0.91
16034 285.323272705078 4496.87939453125 0.44
16035 291.116821289062 6737.97021484375 0.65
16036 301.107269287109 5462.4970703125 0.53
16037 301.138977050781 93043.8828125 9.02
16038 319.864624023438 4290.947265625 0.42
16039 329.134429931641 7357.294921875 0.71
16040 426.685913085938 4104.65283203125 0.4
16041
16042 RECORD_TITLE: MZ:494.1976 | RT:49.9 | grpid:830 | file:1
16043 MS$FOCUSED_ION: PRECURSOR_M/Z 494.197631835938
16044 AC$CHROMATOGRAPHY: RETENTION_TIME 49.9356528
16045 XCMS groupid (grpid): 830
16046 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
16047 PK$NUM_PEAK: 31
16048 PK$PEAK: m/z int. rel.int.
16049 102.055335998535 154721.296875 15
16050 102.392883300781 3496.21337890625 0.34
16051 108.04434967041 4591.63720703125 0.45
16052 109.028770446777 37006.1171875 3.59
16053 112.050483703613 5202.08544921875 0.5
16054 114.055534362793 7487.91796875 0.73
16055 116.070945739746 152841.71875 14.82
16056 126.055137634277 384054.9375 37.24
16057 127.038932800293 16765.65234375 1.63
16058 130.049896240234 134547.890625 13.05
16059 131.064346313477 4367.2939453125 0.42
16060 133.538024902344 3557.1923828125 0.34
16061 134.355972290039 4310.93603515625 0.42
16062 138.054977416992 1031208.0625 100
16063 140.379119873047 4150.32763671875 0.4
16064 144.054061889648 6955.7412109375 0.67
16065 144.065582275391 279825.71875 27.14
16066 148.060394287109 517862.25 50.22
16067 168.051147460938 6748.05224609375 0.65
16068 168.065536499023 166781.046875 16.17
16069 186.076080322266 123645.5625 11.99
16070 219.097274780273 9423.3818359375 0.91
16071 230.102645874023 6362.16259765625 0.62
16072 258.096160888672 9424.5302734375 0.91
16073 285.323272705078 4496.87939453125 0.44
16074 291.116821289062 6737.97021484375 0.65
16075 301.107269287109 5462.4970703125 0.53
16076 301.138977050781 93043.8828125 9.02
16077 319.864624023438 4290.947265625 0.42
16078 329.134429931641 7357.294921875 0.71
16079 426.685913085938 4104.65283203125 0.4
16080
16081 RECORD_TITLE: MZ:494.1976 | RT:50.1 | grpid:830 | file:2
16082 MS$FOCUSED_ION: PRECURSOR_M/Z 494.197631835938
16083 AC$CHROMATOGRAPHY: RETENTION_TIME 50.0837946
16084 XCMS groupid (grpid): 830
16085 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
16086 PK$NUM_PEAK: 29
16087 PK$PEAK: m/z int. rel.int.
16088 101.02392578125 4665.49853515625 0.46
16089 102.05541229248 139830.640625 13.9
16090 108.044906616211 7338.142578125 0.73
16091 109.028587341309 34949.8125 3.47
16092 110.060516357422 4515.4990234375 0.45
16093 114.055053710938 8607.400390625 0.86
16094 116.070930480957 143212.125 14.24
16095 126.055122375488 382392.125 38.01
16096 127.039169311523 22511.798828125 2.24
16097 130.049911499023 114702.28125 11.4
16098 136.169921875 4170.79638671875 0.41
16099 138.054992675781 1006045.75 100
16100 144.065567016602 271017.65625 26.94
16101 148.060394287109 530132.8125 52.69
16102 150.054046630859 3918.6318359375 0.39
16103 168.065612792969 182116.0625 18.1
16104 186.076141357422 123048.53125 12.23
16105 197.289779663086 4408.47607421875 0.44
16106 219.09797668457 7606.20068359375 0.76
16107 230.102798461914 9371.7431640625 0.93
16108 239.558517456055 4159.935546875 0.41
16109 258.096801757812 15609.2587890625 1.55
16110 291.118927001953 8675.626953125 0.86
16111 301.139556884766 84987.3046875 8.45
16112 302.220367431641 3734.84155273438 0.37
16113 329.133361816406 18578.4765625 1.85
16114 332.25048828125 4750.3056640625 0.47
16115 342.581665039062 3982.03881835938 0.4
16116 376.824645996094 3809.353515625 0.38
16117
16118 RECORD_TITLE: MZ:494.1976 | RT:50.1 | grpid:830 | file:2
16119 MS$FOCUSED_ION: PRECURSOR_M/Z 494.197631835938
16120 AC$CHROMATOGRAPHY: RETENTION_TIME 50.0837946
16121 XCMS groupid (grpid): 830
16122 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
16123 PK$NUM_PEAK: 29
16124 PK$PEAK: m/z int. rel.int.
16125 101.02392578125 4665.49853515625 0.46
16126 102.05541229248 139830.640625 13.9
16127 108.044906616211 7338.142578125 0.73
16128 109.028587341309 34949.8125 3.47
16129 110.060516357422 4515.4990234375 0.45
16130 114.055053710938 8607.400390625 0.86
16131 116.070930480957 143212.125 14.24
16132 126.055122375488 382392.125 38.01
16133 127.039169311523 22511.798828125 2.24
16134 130.049911499023 114702.28125 11.4
16135 136.169921875 4170.79638671875 0.41
16136 138.054992675781 1006045.75 100
16137 144.065567016602 271017.65625 26.94
16138 148.060394287109 530132.8125 52.69
16139 150.054046630859 3918.6318359375 0.39
16140 168.065612792969 182116.0625 18.1
16141 186.076141357422 123048.53125 12.23
16142 197.289779663086 4408.47607421875 0.44
16143 219.09797668457 7606.20068359375 0.76
16144 230.102798461914 9371.7431640625 0.93
16145 239.558517456055 4159.935546875 0.41
16146 258.096801757812 15609.2587890625 1.55
16147 291.118927001953 8675.626953125 0.86
16148 301.139556884766 84987.3046875 8.45
16149 302.220367431641 3734.84155273438 0.37
16150 329.133361816406 18578.4765625 1.85
16151 332.25048828125 4750.3056640625 0.47
16152 342.581665039062 3982.03881835938 0.4
16153 376.824645996094 3809.353515625 0.38
16154
16155 RECORD_TITLE: MZ:498.1687 | RT:81.2 | grpid:840 | file:1
16156 MS$FOCUSED_ION: PRECURSOR_M/Z 498.168731689453
16157 AC$CHROMATOGRAPHY: RETENTION_TIME 81.162672
16158 XCMS groupid (grpid): 840
16159 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
16160 PK$NUM_PEAK: 27
16161 PK$PEAK: m/z int. rel.int.
16162 110.071174621582 19027.2734375 1.64
16163 113.020904541016 9368.123046875 0.81
16164 126.054611206055 5812.5556640625 0.5
16165 127.031745910645 4190.18701171875 0.36
16166 136.075302124023 22934.310546875 1.98
16167 137.078796386719 9176.759765625 0.79
16168 138.054428100586 23509.2890625 2.03
16169 148.036193847656 6227.35693359375 0.54
16170 170.04133605957 5330.70458984375 0.46
16171 186.075622558594 4476.88330078125 0.39
16172 208.057647705078 61292.54296875 5.3
16173 210.997604370117 4414.2978515625 0.38
16174 214.955703735352 4026.87036132812 0.35
16175 226.068435668945 138242.484375 11.95
16176 236.147445678711 7551.0751953125 0.65
16177 241.538787841797 4289.0048828125 0.37
16178 279.094696044922 23287.87890625 2.01
16179 297.103424072266 4021.5634765625 0.35
16180 298.089477539062 604584.8125 52.24
16181 313.098754882812 4193.3427734375 0.36
16182 323.121063232422 447545.03125 38.67
16183 351.115936279297 177400.859375 15.33
16184 368.141418457031 7687.5947265625 0.66
16185 369.126556396484 840579.1875 72.63
16186 452.164520263672 46214.9140625 3.99
16187 480.158355712891 21752.802734375 1.88
16188 498.169158935547 1157278.375 100
16189
16190 RECORD_TITLE: MZ:498.1687 | RT:81.2 | grpid:840 | file:1
16191 MS$FOCUSED_ION: PRECURSOR_M/Z 498.168731689453
16192 AC$CHROMATOGRAPHY: RETENTION_TIME 81.162672
16193 XCMS groupid (grpid): 840
16194 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
16195 PK$NUM_PEAK: 27
16196 PK$PEAK: m/z int. rel.int.
16197 110.071174621582 19027.2734375 1.64
16198 113.020904541016 9368.123046875 0.81
16199 126.054611206055 5812.5556640625 0.5
16200 127.031745910645 4190.18701171875 0.36
16201 136.075302124023 22934.310546875 1.98
16202 137.078796386719 9176.759765625 0.79
16203 138.054428100586 23509.2890625 2.03
16204 148.036193847656 6227.35693359375 0.54
16205 170.04133605957 5330.70458984375 0.46
16206 186.075622558594 4476.88330078125 0.39
16207 208.057647705078 61292.54296875 5.3
16208 210.997604370117 4414.2978515625 0.38
16209 214.955703735352 4026.87036132812 0.35
16210 226.068435668945 138242.484375 11.95
16211 236.147445678711 7551.0751953125 0.65
16212 241.538787841797 4289.0048828125 0.37
16213 279.094696044922 23287.87890625 2.01
16214 297.103424072266 4021.5634765625 0.35
16215 298.089477539062 604584.8125 52.24
16216 313.098754882812 4193.3427734375 0.36
16217 323.121063232422 447545.03125 38.67
16218 351.115936279297 177400.859375 15.33
16219 368.141418457031 7687.5947265625 0.66
16220 369.126556396484 840579.1875 72.63
16221 452.164520263672 46214.9140625 3.99
16222 480.158355712891 21752.802734375 1.88
16223 498.169158935547 1157278.375 100
16224
16225 RECORD_TITLE: MZ:498.1689 | RT:81.3 | grpid:840 | file:2
16226 MS$FOCUSED_ION: PRECURSOR_M/Z 498.168914794922
16227 AC$CHROMATOGRAPHY: RETENTION_TIME 81.344292
16228 XCMS groupid (grpid): 840
16229 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
16230 PK$NUM_PEAK: 21
16231 PK$PEAK: m/z int. rel.int.
16232 106.049766540527 6611.89404296875 0.52
16233 110.071022033691 19734.185546875 1.56
16234 113.020729064941 9306.251953125 0.74
16235 136.075790405273 30731.45703125 2.43
16236 138.054565429688 21605.92578125 1.71
16237 167.347625732422 4180.2548828125 0.33
16238 180.837631225586 3948.50952148438 0.31
16239 184.057907104492 8015.86474609375 0.63
16240 208.058547973633 55579.5703125 4.39
16241 226.046966552734 7511.52294921875 0.59
16242 226.068435668945 155661.140625 12.3
16243 236.14729309082 4748.50634765625 0.38
16244 279.094757080078 26303.89453125 2.08
16245 298.089416503906 625621.25 49.43
16246 323.121215820312 485592.5 38.36
16247 351.116119384766 216191.140625 17.08
16248 368.143646240234 8117.44580078125 0.64
16249 369.126617431641 931572.6875 73.6
16250 452.164489746094 61435.125 4.85
16251 480.157287597656 16194.7509765625 1.28
16252 498.169281005859 1265792.25 100
16253
16254 RECORD_TITLE: MZ:498.1689 | RT:81.3 | grpid:840 | file:2
16255 MS$FOCUSED_ION: PRECURSOR_M/Z 498.168914794922
16256 AC$CHROMATOGRAPHY: RETENTION_TIME 81.344292
16257 XCMS groupid (grpid): 840
16258 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
16259 PK$NUM_PEAK: 21
16260 PK$PEAK: m/z int. rel.int.
16261 106.049766540527 6611.89404296875 0.52
16262 110.071022033691 19734.185546875 1.56
16263 113.020729064941 9306.251953125 0.74
16264 136.075790405273 30731.45703125 2.43
16265 138.054565429688 21605.92578125 1.71
16266 167.347625732422 4180.2548828125 0.33
16267 180.837631225586 3948.50952148438 0.31
16268 184.057907104492 8015.86474609375 0.63
16269 208.058547973633 55579.5703125 4.39
16270 226.046966552734 7511.52294921875 0.59
16271 226.068435668945 155661.140625 12.3
16272 236.14729309082 4748.50634765625 0.38
16273 279.094757080078 26303.89453125 2.08
16274 298.089416503906 625621.25 49.43
16275 323.121215820312 485592.5 38.36
16276 351.116119384766 216191.140625 17.08
16277 368.143646240234 8117.44580078125 0.64
16278 369.126617431641 931572.6875 73.6
16279 452.164489746094 61435.125 4.85
16280 480.157287597656 16194.7509765625 1.28
16281 498.169281005859 1265792.25 100
16282
16283 RECORD_TITLE: MZ:498.1697 | RT:81.3 | grpid:840 | file:2
16284 MS$FOCUSED_ION: PRECURSOR_M/Z 498.169708251953
16285 AC$CHROMATOGRAPHY: RETENTION_TIME 81.344292
16286 XCMS groupid (grpid): 840
16287 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
16288 PK$NUM_PEAK: 13
16289 PK$PEAK: m/z int. rel.int.
16290 101.778099060059 3795.03295898438 25.33
16291 109.610725402832 3484.1552734375 23.26
16292 159.81298828125 3442.19995117188 22.98
16293 188.469665527344 3955.94091796875 26.41
16294 195.686859130859 3936.31909179688 26.27
16295 200.988327026367 3759.4541015625 25.09
16296 244.78190612793 4454.5654296875 29.73
16297 276.721008300781 3612.77392578125 24.12
16298 296.157531738281 4649.9521484375 31.04
16299 308.5830078125 4018.92358398438 26.83
16300 311.841857910156 3540.38208007812 23.63
16301 369.124267578125 5257.81591796875 35.1
16302 498.169372558594 14981.3701171875 100
16303
16304 RECORD_TITLE: MZ:498.1697 | RT:81.3 | grpid:840 | file:2
16305 MS$FOCUSED_ION: PRECURSOR_M/Z 498.169708251953
16306 AC$CHROMATOGRAPHY: RETENTION_TIME 81.344292
16307 XCMS groupid (grpid): 840
16308 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
16309 PK$NUM_PEAK: 13
16310 PK$PEAK: m/z int. rel.int.
16311 101.778099060059 3795.03295898438 25.33
16312 109.610725402832 3484.1552734375 23.26
16313 159.81298828125 3442.19995117188 22.98
16314 188.469665527344 3955.94091796875 26.41
16315 195.686859130859 3936.31909179688 26.27
16316 200.988327026367 3759.4541015625 25.09
16317 244.78190612793 4454.5654296875 29.73
16318 276.721008300781 3612.77392578125 24.12
16319 296.157531738281 4649.9521484375 31.04
16320 308.5830078125 4018.92358398438 26.83
16321 311.841857910156 3540.38208007812 23.63
16322 369.124267578125 5257.81591796875 35.1
16323 498.169372558594 14981.3701171875 100
16324
16325 RECORD_TITLE: MZ:499.2504 | RT:129.3 | grpid:843 | file:1
16326 MS$FOCUSED_ION: PRECURSOR_M/Z 499.250396728516
16327 AC$CHROMATOGRAPHY: RETENTION_TIME 129.271086
16328 XCMS groupid (grpid): 843
16329 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
16330 PK$NUM_PEAK: 8
16331 PK$PEAK: m/z int. rel.int.
16332 118.086380004883 7052.74462890625 0.36
16333 119.035583496094 4770.26611328125 0.24
16334 137.045806884766 1959734 100
16335 143.80290222168 3752.88916015625 0.19
16336 185.164245605469 6015.66552734375 0.31
16337 188.177719116211 3627.47534179688 0.19
16338 231.17024230957 75057.1484375 3.83
16339 473.909973144531 4030.2705078125 0.21
16340
16341 RECORD_TITLE: MZ:499.2504 | RT:129.3 | grpid:843 | file:1
16342 MS$FOCUSED_ION: PRECURSOR_M/Z 499.250396728516
16343 AC$CHROMATOGRAPHY: RETENTION_TIME 129.271086
16344 XCMS groupid (grpid): 843
16345 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
16346 PK$NUM_PEAK: 8
16347 PK$PEAK: m/z int. rel.int.
16348 118.086380004883 7052.74462890625 0.36
16349 119.035583496094 4770.26611328125 0.24
16350 137.045806884766 1959734 100
16351 143.80290222168 3752.88916015625 0.19
16352 185.164245605469 6015.66552734375 0.31
16353 188.177719116211 3627.47534179688 0.19
16354 231.17024230957 75057.1484375 3.83
16355 473.909973144531 4030.2705078125 0.21
16356
16357 RECORD_TITLE: MZ:499.2504 | RT:129.5 | grpid:843 | file:2
16358 MS$FOCUSED_ION: PRECURSOR_M/Z 499.250396728516
16359 AC$CHROMATOGRAPHY: RETENTION_TIME 129.525558
16360 XCMS groupid (grpid): 843
16361 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
16362 PK$NUM_PEAK: 4
16363 PK$PEAK: m/z int. rel.int.
16364 110.034912109375 5403.05908203125 0.28
16365 118.08659362793 4443.796875 0.23
16366 137.045791625977 1921419.375 100
16367 231.170379638672 79803.1953125 4.15
16368
16369 RECORD_TITLE: MZ:499.2504 | RT:129.5 | grpid:843 | file:2
16370 MS$FOCUSED_ION: PRECURSOR_M/Z 499.250396728516
16371 AC$CHROMATOGRAPHY: RETENTION_TIME 129.525558
16372 XCMS groupid (grpid): 843
16373 COMMENT: Exported from msPurity purityA object using function createMSP, using method 'all' msPurity version:1.11.0
16374 PK$NUM_PEAK: 4
16375 PK$PEAK: m/z int. rel.int.
16376 110.034912109375 5403.05908203125 0.28
16377 118.08659362793 4443.796875 0.23
16378 137.045791625977 1921419.375 100
16379 231.170379638672 79803.1953125 4.15
16380