Mercurial > repos > recetox > matchms_formatter

view test-data/similarity/fill.msp @ 1:28a252f3b682 draft

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planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit ca44513d50b29a4706e2a2db96c23ef6688b7c2d
author recetox
date Fri, 22 Jul 2022 16:49:20 +0000
parents 60f34912b3de
children
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RETENTIONTIME:38.74
RETENTIONINDEX:
SPECTRUMTYPE:Centroid
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216.9205 32607700
256.8215 31377637
175.0641 26780143
206.9034 26130980
254.8252 23747536
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196.8658 21390430
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148.9337 1008656

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RETENTIONTIME:483.67
RETENTIONINDEX:
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RETENTIONINDEX:
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124.1405 6517662
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NAME:C005
IONMODE:Negative
RETENTIONTIME:41.72
RETENTIONINDEX:
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Num Peaks:20
337.0623 88672453
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IONMODE:Negative
RETENTIONTIME:452.08
RETENTIONINDEX:
SPECTRUMTYPE:Centroid
Num Peaks:19
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IONMODE:Negative
RETENTIONTIME:568.2
RETENTIONINDEX:
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NAME:C008
IONMODE:Negative
RETENTIONTIME:429.17
RETENTIONINDEX:
SPECTRUMTYPE:Centroid
Num Peaks:15
286.1443 678064374
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NAME:C009
IONMODE:Negative
RETENTIONTIME:456.73
RETENTIONINDEX:
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Num Peaks:14
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RETENTIONTIME:438.79
RETENTIONINDEX:
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Num Peaks:13
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183.0814 2981313
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RETENTIONTIME:465.31
RETENTIONINDEX:
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Num Peaks:13
546.3555 383799553
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184.0736 110532874
1041.6834 90837006
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1066.6536 18333740
125 16887384
300.6409 12001615
529.3094 8108676
505.3163 6772098
782.9657 2439709

NAME:C012
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RETENTIONTIME:39.22
RETENTIONINDEX:
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Num Peaks:11
96.9225 62967962
272.7962 13679316
212.8395 8994833
404.6892 8814347
288.779 8191056
290.7977 4568865
422.7095 4562755
170.8763 4123908
420.6603 3664599
480.6509 3562470
154.8822 2030207

NAME:C013
IONMODE:Negative
RETENTIONTIME:39.48
RETENTIONINDEX:
SPECTRUMTYPE:Centroid
Num Peaks:11
203.0531 167631100
249.0624 25609635
227.0272 16535154
264.9601 15156116
169.0486 13872724
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226.0764 9468969
506.6274 6372061
250.0554 3024291
122.0613 1727162
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NAME:C014
IONMODE:Negative
RETENTIONTIME:39.33
RETENTIONINDEX:
SPECTRUMTYPE:Centroid
Num Peaks:11
176.0633 15979877
210.0505 15449502
390.7218 11447541
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268.0083 1320856
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NAME:C015
IONMODE:Negative
RETENTIONTIME:458.34
RETENTIONINDEX:
SPECTRUMTYPE:Centroid
Num Peaks:11
544.3404 1225750896
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NAME:C016
IONMODE:Negative
RETENTIONTIME:38.05
RETENTIONINDEX:
SPECTRUMTYPE:Centroid
Num Peaks:10
225.0469 59892950
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NAME:C017
IONMODE:Negative
RETENTIONTIME:39.26
RETENTIONINDEX:
SPECTRUMTYPE:Centroid
Num Peaks:10
135.0046 68491054
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NAME:C018
IONMODE:Negative
RETENTIONTIME:454.48
RETENTIONINDEX:
SPECTRUMTYPE:Centroid
Num Peaks:10
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NAME:C019
IONMODE:Negative
RETENTIONTIME:42.78
RETENTIONINDEX:
SPECTRUMTYPE:Centroid
Num Peaks:9
114.9111 32990841
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NAME:C020
IONMODE:Negative
RETENTIONTIME:54.99
RETENTIONINDEX:
SPECTRUMTYPE:Centroid
Num Peaks:9
293.0983 2422772404
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NAME:C021
IONMODE:Negative
RETENTIONTIME:38.53
RETENTIONINDEX:
SPECTRUMTYPE:Centroid
Num Peaks:9
156.0426 222394961
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NAME:C022
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RETENTIONTIME:39.11
RETENTIONINDEX:
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Num Peaks:9
270.8003 10913935
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NAME:C023
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RETENTIONTIME:41.74
RETENTIONINDEX:
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Num Peaks:9
188.0708 86813172
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253.1035 6018088
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NAME:C024
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RETENTIONTIME:556.73
RETENTIONINDEX:
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Num Peaks:9
269.2251 98997424
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NAME:C025
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RETENTIONTIME:480.14
RETENTIONINDEX:
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Num Peaks:9
480.3242 225142434
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NAME:C026
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RETENTIONTIME:426.54
RETENTIONINDEX:
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Num Peaks:9
209.1227 23179929
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252.1154 2039708
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NAME:C027
IONMODE:Negative
RETENTIONTIME:416.01
RETENTIONINDEX:
SPECTRUMTYPE:Centroid
Num Peaks:9
512.3351 37021229
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121.0995 3144992
198.1856 2059762
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NAME:C028
IONMODE:Negative
RETENTIONTIME:49
RETENTIONINDEX:
SPECTRUMTYPE:Centroid
Num Peaks:8
160.0625 82372331
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381.9922 2334231
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NAME:C029
IONMODE:Negative
RETENTIONTIME:38.86
RETENTIONINDEX:
SPECTRUMTYPE:Centroid
Num Peaks:8
162.1127 308309016
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185.0673 10137160
125.0255 4719310
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NAME:C030
IONMODE:Negative
RETENTIONTIME:40.08
RETENTIONINDEX:
SPECTRUMTYPE:Centroid
Num Peaks:8
285.099 18100021
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161.0222 5114176
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NAME:C031
IONMODE:Negative
RETENTIONTIME:494.99
RETENTIONINDEX:
SPECTRUMTYPE:Centroid
Num Peaks:8
524.3373 4406739555
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512.41 43155571
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NAME:C032
IONMODE:Negative
RETENTIONTIME:410.48
RETENTIONINDEX:
SPECTRUMTYPE:Centroid
Num Peaks:8
414.3008 67174004
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450.3216 33099069
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NAME:C033
IONMODE:Negative
RETENTIONTIME:40.16
RETENTIONINDEX:
SPECTRUMTYPE:Centroid
Num Peaks:7
120.0803 58687086
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103.0535 11371875
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NAME:C034
IONMODE:Negative
RETENTIONTIME:39.56
RETENTIONINDEX:
SPECTRUMTYPE:Centroid
Num Peaks:7
166.0846 178192881
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116.0619 120691918
144.0965 108611017
157.0492 41677273
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145.0982 8354818

NAME:C035
IONMODE:Negative
RETENTIONTIME:37.63
RETENTIONINDEX:
SPECTRUMTYPE:Centroid
Num Peaks:7
112.9034 85545886
222.8686 13769163
238.8437 5325572
280.8314 5214305
240.84 3365303
296.8089 2240176
298.8014 2106450

NAME:C036
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RETENTIONTIME:37.64
RETENTIONINDEX:
SPECTRUMTYPE:Centroid
Num Peaks:7
408.755 8487354
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NAME:C037
IONMODE:Negative
RETENTIONTIME:38.66
RETENTIONINDEX:
SPECTRUMTYPE:Centroid
Num Peaks:7
191.0391 31256068
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364.9531 3274488
124.0559 1972246
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NAME:C038
IONMODE:Negative
RETENTIONTIME:17.56
RETENTIONINDEX:
SPECTRUMTYPE:Centroid
Num Peaks:7
113.9639 884114874
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158.9616 128816272
130.9667 51395622
117.9597 13415776
89.94 9040424
299.9124 1880980

NAME:C039
IONMODE:Negative
RETENTIONTIME:568.17
RETENTIONINDEX:
SPECTRUMTYPE:Centroid
Num Peaks:7
313.2743 49761422
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353.2668 14412912
314.2779 10250020
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109.0936 3367194
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NAME:C040
IONMODE:Negative
RETENTIONTIME:387.74
RETENTIONINDEX:
SPECTRUMTYPE:Centroid
Num Peaks:7
181.0835 84943549
223.1099 46655050
448.3062 12015194
211.1705 9133246
224.1132 5667427
163.086 4875483
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NAME:C041
IONMODE:Negative
RETENTIONTIME:453.17
RETENTIONINDEX:
SPECTRUMTYPE:Centroid
Num Peaks:7
568.34 320070712
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493.3513 4170416
538.2924 3722053

NAME:C042
IONMODE:Negative
RETENTIONTIME:494.9
RETENTIONINDEX:
SPECTRUMTYPE:Centroid
Num Peaks:7
548.3718 57710648
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464.314 19745728
281.652 16902444
507.3635 10018492
421.2329 9340554
465.3171 4874193

NAME:C043
IONMODE:Negative
RETENTIONTIME:496.93
RETENTIONINDEX:
SPECTRUMTYPE:Centroid
Num Peaks:7
149.0237 1046269875
121.0291 104312995
303.1553 88839098
327.2198 14111373
91.0544 7737151
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371.2241 2045984

NAME:C044
IONMODE:Negative
RETENTIONTIME:439.39
RETENTIONINDEX:
SPECTRUMTYPE:Centroid
Num Peaks:7
415.212 83379727
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416.2152 22144229
514.3191 7670834
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438.1974 6181203
432.2384 4602293

NAME:C045
IONMODE:Negative
RETENTIONTIME:38.72
RETENTIONINDEX:
SPECTRUMTYPE:Centroid
Num Peaks:6
204.1232 104594587
424.7473 5143002
220.0361 3822478
482.7147 3819577
526.6926 3098115
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NAME:C046
IONMODE:Negative
RETENTIONTIME:522.9
RETENTIONINDEX:
SPECTRUMTYPE:Centroid
Num Peaks:6
680.4293 23371624
1204.2998 12180905
681.433 10790523
942.6132 7409370
693.4366 6450701
694.4422 2967375

NAME:C047
IONMODE:Negative
RETENTIONTIME:568.96
RETENTIONINDEX:
SPECTRUMTYPE:Centroid
Num Peaks:6
523.885 65066801
688.5201 14341797
524.8874 7166738
689.5235 6478555
522.8873 4794972
715.4799 3672190

NAME:C048
IONMODE:Negative
RETENTIONTIME:570.42
RETENTIONINDEX:
SPECTRUMTYPE:Centroid
Num Peaks:6
596.8946 15091259
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762.0311 5271486
609.9019 3635412
598.909 2264745
775.5467 2217744

NAME:C049
IONMODE:Negative
RETENTIONTIME:548.99
RETENTIONINDEX:
SPECTRUMTYPE:Centroid
Num Peaks:6
637.3061 40025984
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654.3336 5820376
659.2881 4514707
639.3125 2997621
655.3356 2193767

NAME:C050
IONMODE:Negative
RETENTIONTIME:562.13
RETENTIONINDEX:
SPECTRUMTYPE:Centroid
Num Peaks:6
335.167 30837870
376.1936 9206685
336.1723 5451925
281.2478 1427835
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339.1624 1173554

NAME:C051
IONMODE:Negative
RETENTIONTIME:456.67
RETENTIONINDEX:
SPECTRUMTYPE:Centroid
Num Peaks:6
299.6334 26082055
566.3211 20198673
1090.6457 6272992
567.3244 5871222
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NAME:C052
IONMODE:Negative
RETENTIONTIME:478.9
RETENTIONINDEX:
SPECTRUMTYPE:Centroid
Num Peaks:6
536.308 48824542
353.0562 14621952
537.3106 11482454
256.0036 7683803
297.1488 7327555
127.2741 3285476

NAME:C053
IONMODE:Negative
RETENTIONTIME:500.02
RETENTIONINDEX:
SPECTRUMTYPE:Centroid
Num Peaks:6
468.3899 33971049
609.34 9554282
604.3847 8198417
605.413 7101524
610.3361 3888670
606.4209 1836398

NAME:C054
IONMODE:Negative
RETENTIONTIME:491.71
RETENTIONINDEX:
SPECTRUMTYPE:Centroid
Num Peaks:6
399.2528 20584280
395.2774 12115107
313.1321 10599434
163.0757 4155052
335.1258 3732806
365.1362 2964850

NAME:C055
IONMODE:Negative
RETENTIONTIME:38.64
RETENTIONINDEX:
SPECTRUMTYPE:Centroid
Num Peaks:5
150.9966 13505497
280.0989 11446380
148.083 6444124
258.0099 3216933
278.8998 1588478

NAME:C056
IONMODE:Negative
RETENTIONTIME:50.55
RETENTIONINDEX:
SPECTRUMTYPE:Centroid
Num Peaks:5
315.08 444337895
316.0837 48279316
247.0975 42192032
235.0874 30725201
143.0804 9023795

NAME:C057
IONMODE:Negative
RETENTIONTIME:39.38
RETENTIONINDEX:
SPECTRUMTYPE:Centroid
Num Peaks:5
138.05 11589913
274.8004 7399559
386.7156 5744862
504.6304 5051649
584.623 2769986

NAME:C058
IONMODE:Negative
RETENTIONTIME:37.83
RETENTIONINDEX:
SPECTRUMTYPE:Centroid
Num Peaks:5
136.0489 91083916
400.7495 6533309
410.7787 4155900
542.6812 3135865
528.7721 2343823

NAME:C059
IONMODE:Negative
RETENTIONTIME:38.84
RETENTIONINDEX:
SPECTRUMTYPE:Centroid
Num Peaks:5
209.0731 140532642
490.8177 16128577
208.0701 7862862
192.0572 5685906
373.9241 1194415

NAME:C060
IONMODE:Negative
RETENTIONTIME:521.59
RETENTIONINDEX:
SPECTRUMTYPE:Centroid
Num Peaks:5
668.4305 8028504
1192.2996 4150468
669.4357 4028528
930.1118 2367648
931.117 1841159

NAME:C061
IONMODE:Negative
RETENTIONTIME:573.21
RETENTIONINDEX:
SPECTRUMTYPE:Centroid
Num Peaks:5
265.2529 9899139
371.2519 8233366
226.6269 3415692
266.2547 1785474
701.5302 1157410

NAME:C062
IONMODE:Negative
RETENTIONTIME:404.94
RETENTIONINDEX:
SPECTRUMTYPE:Centroid
Num Peaks:5
353.2304 32739905
277.2131 11416355
296.2306 10660434
373.2739 9818194
272.2095 7792653

NAME:C063
IONMODE:Negative
RETENTIONTIME:388.92
RETENTIONINDEX:
SPECTRUMTYPE:Centroid
Num Peaks:5
585.271 56140774
586.2757 19804349
601.2667 3868276
587.2789 3756282
292.6357 2008767

NAME:C064
IONMODE:Negative
RETENTIONTIME:477.39
RETENTIONINDEX:
SPECTRUMTYPE:Centroid
Num Peaks:5
518.3223 174628688
519.326 47361590
438.2983 22072874
330.04 9899883
439.3032 4759535

NAME:C065
IONMODE:Negative
RETENTIONTIME:484.01
RETENTIONINDEX:
SPECTRUMTYPE:Centroid
Num Peaks:5
240.0999 57718485
679.4209 6413969
1201.2745 3920305
1188.7713 3552262
1057.1551 3001955

NAME:C066
IONMODE:Negative
RETENTIONTIME:477.61
RETENTIONINDEX:
SPECTRUMTYPE:Centroid
Num Peaks:5
508.3589 85631225
509.3621 29637747
1031.6491 17237588
1032.6524 9264007
769.9668 2034350

NAME:C067
IONMODE:Negative
RETENTIONTIME:496.87
RETENTIONINDEX:
SPECTRUMTYPE:Centroid
Num Peaks:5
556.4425 28755077
600.4695 19352534
644.4952 11254491
557.445 8575104
601.4722 6487708

NAME:C068
IONMODE:Negative
RETENTIONTIME:446.34
RETENTIONINDEX:
SPECTRUMTYPE:Centroid
Num Peaks:5
357.2789 114727535
312.1598 48528731
358.2846 32919178
313.238 12723416
359.2915 4641654

NAME:C069
IONMODE:Negative
RETENTIONTIME:431.04
RETENTIONINDEX:
SPECTRUMTYPE:Centroid
Num Peaks:5
327.0085 42852661
329.0054 41634508
331.0028 13141699
252.9981 5112473
328.0117 4011270

NAME:C070
IONMODE:Negative
RETENTIONTIME:436.01
RETENTIONINDEX:
SPECTRUMTYPE:Centroid
Num Peaks:5
603.2936 12822464
621.3034 7105990
597.3036 6280556
604.2967 4096514
622.3061 2351379

NAME:C071
IONMODE:Negative
RETENTIONTIME:428.33
RETENTIONINDEX:
SPECTRUMTYPE:Centroid
Num Peaks:5
301.2166 18169090
325.2163 7069382
343.2266 2908718
172.1645 1320296
205.1767 805534

NAME:C072
IONMODE:Negative
RETENTIONTIME:404.46
RETENTIONINDEX:
SPECTRUMTYPE:Centroid
Num Peaks:5
352.2253 64611107
300.2174 12961057
341.2118 3403529
440.2781 3231404
318.0913 2035771

NAME:C073
IONMODE:Negative
RETENTIONTIME:39.45
RETENTIONINDEX:
SPECTRUMTYPE:Centroid
Num Peaks:4
132.0911 149213134
105.1079 25643451
133.093 9606398
106.0882 1008121

NAME:C074
IONMODE:Negative
RETENTIONTIME:48.99
RETENTIONINDEX:
SPECTRUMTYPE:Centroid
Num Peaks:4
367.9888 19794460
368.9907 10577331
324.0009 6981928
383.9615 6271699

NAME:C075
IONMODE:Negative
RETENTIONTIME:38.61
RETENTIONINDEX:
SPECTRUMTYPE:Centroid
Num Peaks:4
231.0565 7541254
395.1564 6383328
377.132 4900119
107.0073 3031654

NAME:C076
IONMODE:Negative
RETENTIONTIME:55.64
RETENTIONINDEX:
SPECTRUMTYPE:Centroid
Num Peaks:4
172.9567 33953504
133.927 12290571
92.9005 5352672
108.914 2618921

NAME:C077
IONMODE:Negative
RETENTIONTIME:568.29
RETENTIONINDEX:
SPECTRUMTYPE:Centroid
Num Peaks:4
583.8869 36863018
749.0231 12396899
584.891 12016606
750.0278 7401510

NAME:C078
IONMODE:Negative
RETENTIONTIME:398.62
RETENTIONINDEX:
SPECTRUMTYPE:Centroid
Num Peaks:4
316.248 46844363
340.2484 7340552
360.2746 2404874
384.2747 2390732

NAME:C079
IONMODE:Negative
RETENTIONTIME:385.1
RETENTIONINDEX:
SPECTRUMTYPE:Centroid
Num Peaks:4
314.2328 55972011
315.2342 9937448
261.1103 8569525
338.2334 3234158

NAME:C080
IONMODE:Negative
RETENTIONTIME:410.4
RETENTIONINDEX:
SPECTRUMTYPE:Centroid
Num Peaks:4
225.1924 28100176
226.1948 3835768
647.2353 2107218
649.2515 1886834

NAME:C081
IONMODE:Negative
RETENTIONTIME:367.91
RETENTIONINDEX:
SPECTRUMTYPE:Centroid
Num Peaks:4
271.2061 11931733
505.1464 7616256
253.1952 3853260
283.2425 2898656

NAME:C082
IONMODE:Negative
RETENTIONTIME:379.79
RETENTIONINDEX:
SPECTRUMTYPE:Centroid
Num Peaks:4
466.3171 7929750
430.2953 5331329
412.2849 4835668
467.3198 2167391

NAME:C083
IONMODE:Negative
RETENTIONTIME:469.39
RETENTIONINDEX:
SPECTRUMTYPE:Centroid
Num Peaks:4
1015.672 36276276
1016.676 19226871
535.3019 10075790
207.1969 3373287

NAME:C084
IONMODE:Negative
RETENTIONTIME:502.62
RETENTIONINDEX:
SPECTRUMTYPE:Centroid
Num Peaks:4
473.3452 10623724
517.3716 8926693
458.3479 6136032
590.4116 3279579

NAME:C085
IONMODE:Negative
RETENTIONTIME:505.7
RETENTIONINDEX:
SPECTRUMTYPE:Centroid
Num Peaks:4
426.3579 107580438
400.339 54213917
427.3613 29338788
401.3452 13221351

NAME:C086
IONMODE:Negative
RETENTIONTIME:440.16
RETENTIONINDEX:
SPECTRUMTYPE:Centroid
Num Peaks:4
284.1286 13622785
230.2479 7797320
417.3195 4847876
214.2533 1493815

NAME:C087
IONMODE:Negative
RETENTIONTIME:437.62
RETENTIONINDEX:
SPECTRUMTYPE:Centroid
Num Peaks:4
476.2963 13371322
394.2904 10535151
471.7966 5456746
540.3676 4228098

NAME:C088
IONMODE:Negative
RETENTIONTIME:430.41
RETENTIONINDEX:
SPECTRUMTYPE:Centroid
Num Peaks:4
348.9906 5939980
350.9873 5719912
426.1135 590428
428.1109 573856

NAME:C089
IONMODE:Negative
RETENTIONTIME:407.21
RETENTIONINDEX:
SPECTRUMTYPE:Centroid
Num Peaks:4
158.1543 12609020
374.2762 3731741
391.209 1174675
159.1576 1084056

NAME:C090
IONMODE:Negative
RETENTIONTIME:38.56
RETENTIONINDEX:
SPECTRUMTYPE:Centroid
Num Peaks:3
104.1071 417600412
98.919 34309379
137.0709 19389252

NAME:C091
IONMODE:Negative
RETENTIONTIME:41.11
RETENTIONINDEX:
SPECTRUMTYPE:Centroid
Num Peaks:3
94.0648 29912950
110.0706 3533397
96.0453 2810684

NAME:C092
IONMODE:Negative
RETENTIONTIME:47.76
RETENTIONINDEX:
SPECTRUMTYPE:Centroid
Num Peaks:3
195.0878 229226763
181.0711 22419168
196.0894 20952137

NAME:C093
IONMODE:Negative
RETENTIONTIME:43.24
RETENTIONINDEX:
SPECTRUMTYPE:Centroid
Num Peaks:3
286.2015 11316338
153.0676 6096061
304.2116 3065540

NAME:C094
IONMODE:Negative
RETENTIONTIME:59.41
RETENTIONINDEX:
SPECTRUMTYPE:Centroid
Num Peaks:3
346.0096 208562691
302.02 42982160
344.0145 12088963

NAME:C095
IONMODE:Negative
RETENTIONTIME:17.88
RETENTIONINDEX:
SPECTRUMTYPE:Centroid
Num Peaks:3
287.8894 13522201
246.8615 7541207
305.9005 3724287

NAME:C096
IONMODE:Negative
RETENTIONTIME:18.25
RETENTIONINDEX:
SPECTRUMTYPE:Centroid
Num Peaks:3
241.8884 9750879
259.8949 3972734
304.8923 2897534

NAME:C097
IONMODE:Negative
RETENTIONTIME:17.2
RETENTIONINDEX:
SPECTRUMTYPE:Centroid
Num Peaks:3
111.9685 52093481
294.8639 3662077
88.9319 1738316

NAME:C098
IONMODE:Negative
RETENTIONTIME:520.97
RETENTIONINDEX:
SPECTRUMTYPE:Centroid
Num Peaks:3
320.168 7908369
314.0269 3344905
321.1683 2715496

NAME:C099
IONMODE:Negative
RETENTIONTIME:513.8
RETENTIONINDEX:
SPECTRUMTYPE:Centroid
Num Peaks:3
228.2326 6233400
268.2658 2396656
220.1175 1361371

NAME:C100
IONMODE:Negative
RETENTIONTIME:589.95
RETENTIONINDEX:
SPECTRUMTYPE:Centroid
Num Peaks:3
810.6019 170332070
732.5543 29332289
733.5576 12786143

NAME:C101
IONMODE:Negative
RETENTIONTIME:596.5
RETENTIONINDEX:
SPECTRUMTYPE:Centroid
Num Peaks:3
378.2092 6124105
663.4541 1495638
325.2922 966346

NAME:C102
IONMODE:Negative
RETENTIONTIME:568.65
RETENTIONINDEX:
SPECTRUMTYPE:Centroid
Num Peaks:3
235.1326 4646021
236.1305 1698666
190.0013 1371611

NAME:C103
IONMODE:Negative
RETENTIONTIME:535.76
RETENTIONINDEX:
SPECTRUMTYPE:Centroid
Num Peaks:3
263.2373 9502360
614.4833 2200287
658.51 2078188

NAME:C104
IONMODE:Negative
RETENTIONTIME:531.01
RETENTIONINDEX:
SPECTRUMTYPE:Centroid
Num Peaks:3
466.33 13287998
467.3202 3787115
237.22 1561112

NAME:C105
IONMODE:Negative
RETENTIONTIME:351.57
RETENTIONINDEX:
SPECTRUMTYPE:Centroid
Num Peaks:3
363.2171 20574377
364.2205 4609697
361.2015 3929265

NAME:C106
IONMODE:Negative
RETENTIONTIME:358.55
RETENTIONINDEX:
SPECTRUMTYPE:Centroid
Num Peaks:3
288.2172 21440274
311.2052 7425805
332.2433 6088330

NAME:C107
IONMODE:Negative
RETENTIONTIME:402.91
RETENTIONINDEX:
SPECTRUMTYPE:Centroid
Num Peaks:3
583.2564 11666865
633.2562 5502961
584.2607 4806507

NAME:C108
IONMODE:Negative
RETENTIONTIME:388.14
RETENTIONINDEX:
SPECTRUMTYPE:Centroid
Num Peaks:3
274.2123 89701347
416.3167 18882679
284.9615 3063470

NAME:C109
IONMODE:Negative
RETENTIONTIME:449.77
RETENTIONINDEX:
SPECTRUMTYPE:Centroid
Num Peaks:3
266.6214 6852794
361.2739 5667417
489.1806 1695863

NAME:C110
IONMODE:Negative
RETENTIONTIME:469.09
RETENTIONINDEX:
SPECTRUMTYPE:Centroid
Num Peaks:3
454.2933 89940088
455.2967 19108220
436.2823 1402683

NAME:C111
IONMODE:Negative
RETENTIONTIME:475.44
RETENTIONINDEX:
SPECTRUMTYPE:Centroid
Num Peaks:3
515.3077 11336664
596.2657 6107659
599.4392 1882543

NAME:C112
IONMODE:Negative
RETENTIONTIME:480.9
RETENTIONINDEX:
SPECTRUMTYPE:Centroid
Num Peaks:3
424.3453 65681466
425.3459 16618174
448.3429 4650811

NAME:C113
IONMODE:Negative
RETENTIONTIME:507.69
RETENTIONINDEX:
SPECTRUMTYPE:Centroid
Num Peaks:3
283.2017 5499746
261.2422 1470485
369.1252 1397276

NAME:C114
IONMODE:Negative
RETENTIONTIME:500.04
RETENTIONINDEX:
SPECTRUMTYPE:Centroid
Num Peaks:3
111.5221 8871153
109.5218 8470191
469.3939 8286428

NAME:C115
IONMODE:Negative
RETENTIONTIME:498.95
RETENTIONINDEX:
SPECTRUMTYPE:Centroid
Num Peaks:3
239.1464 2483711
390.3208 1535784
259.1161 653696

NAME:C116
IONMODE:Negative
RETENTIONTIME:455.37
RETENTIONINDEX:
SPECTRUMTYPE:Centroid
Num Peaks:3
229.0895 4621754
354.2842 3818861
257.2238 2133166

NAME:C117
IONMODE:Negative
RETENTIONTIME:425.37
RETENTIONINDEX:
SPECTRUMTYPE:Centroid
Num Peaks:3
356.2801 11507639
177.0628 3105367
245.0854 1520439

NAME:C118
IONMODE:Negative
RETENTIONTIME:439.21
RETENTIONINDEX:
SPECTRUMTYPE:Centroid
Num Peaks:3
380.2567 13628316
382.2719 3659980
264.2696 3219638

NAME:C119
IONMODE:Negative
RETENTIONTIME:75.44
RETENTIONINDEX:
SPECTRUMTYPE:Centroid
Num Peaks:2
267.043 3378727
244.0267 1028121

NAME:C120
IONMODE:Negative
RETENTIONTIME:38.24
RETENTIONINDEX:
SPECTRUMTYPE:Centroid
Num Peaks:2
130.0494 15956803
239.9654 1459631

NAME:C121
IONMODE:Negative
RETENTIONTIME:35.65
RETENTIONINDEX:
SPECTRUMTYPE:Centroid
Num Peaks:2
468.745 4564703
465.8067 2674183

NAME:C122
IONMODE:Negative
RETENTIONTIME:42.78
RETENTIONINDEX:
SPECTRUMTYPE:Centroid
Num Peaks:2
246.1704 11953696
232.1548 11289500

NAME:C123
IONMODE:Negative
RETENTIONTIME:40.19
RETENTIONINDEX:
SPECTRUMTYPE:Centroid
Num Peaks:2
149.9462 11520115
102.0359 2328253

NAME:C124
IONMODE:Negative
RETENTIONTIME:40.7
RETENTIONINDEX:
SPECTRUMTYPE:Centroid
Num Peaks:2
147.0736 18882528
229.1558 16017750

NAME:C125
IONMODE:Negative
RETENTIONTIME:35.04
RETENTIONINDEX:
SPECTRUMTYPE:Centroid
Num Peaks:2
276.896 10711749
271.9473 2149468

NAME:C126
IONMODE:Negative
RETENTIONTIME:36.81
RETENTIONINDEX:
SPECTRUMTYPE:Centroid
Num Peaks:2
140.0669 214841376
141.0353 15611039

NAME:C127
IONMODE:Negative
RETENTIONTIME:17.03
RETENTIONINDEX:
SPECTRUMTYPE:Centroid
Num Peaks:2
277.8643 3798476
295.8715 2325241

NAME:C128
IONMODE:Negative
RETENTIONTIME:317.37
RETENTIONINDEX:
SPECTRUMTYPE:Centroid
Num Peaks:2
286.2016 21614042
287.2049 3344526

NAME:C129
IONMODE:Negative
RETENTIONTIME:520.57
RETENTIONINDEX:
SPECTRUMTYPE:Centroid
Num Peaks:2
1205.3044 6938899
943.6165 3052234

NAME:C130
IONMODE:Negative
RETENTIONTIME:511.04
RETENTIONINDEX:
SPECTRUMTYPE:Centroid
Num Peaks:2
341.2854 4773092
269.983 889010

NAME:C131
IONMODE:Negative
RETENTIONTIME:584.44
RETENTIONINDEX:
SPECTRUMTYPE:Centroid
Num Peaks:2
111.0204 81745635
139.9881 60275297

NAME:C132
IONMODE:Negative
RETENTIONTIME:594.5
RETENTIONINDEX:
SPECTRUMTYPE:Centroid
Num Peaks:2
241.1402 2703532
253.2523 948549

NAME:C133
IONMODE:Negative
RETENTIONTIME:587.56
RETENTIONINDEX:
SPECTRUMTYPE:Centroid
Num Peaks:2
134.1177 233169113
135.1211 15007034

NAME:C134
IONMODE:Negative
RETENTIONTIME:586.91
RETENTIONINDEX:
SPECTRUMTYPE:Centroid
Num Peaks:2
118.1228 927034767
100.1122 314050032

NAME:C135
IONMODE:Negative
RETENTIONTIME:587
RETENTIONINDEX:
SPECTRUMTYPE:Centroid
Num Peaks:2
101.1156 19921503
90.0915 18125403

NAME:C136
IONMODE:Negative
RETENTIONTIME:586.09
RETENTIONINDEX:
SPECTRUMTYPE:Centroid
Num Peaks:2
125.0745 5222472
284.3251 3483102

NAME:C137
IONMODE:Negative
RETENTIONTIME:567.43
RETENTIONINDEX:
SPECTRUMTYPE:Centroid
Num Peaks:2
572.8946 4699172
573.9011 965749

NAME:C138
IONMODE:Negative
RETENTIONTIME:567.99
RETENTIONINDEX:
SPECTRUMTYPE:Centroid
Num Peaks:2
571.8874 9632225
737.0252 3438536

NAME:C139
IONMODE:Negative
RETENTIONTIME:569.1
RETENTIONINDEX:
SPECTRUMTYPE:Centroid
Num Peaks:2
467.2343 5702586
354.2721 3585655

NAME:C140
IONMODE:Negative
RETENTIONTIME:561.51
RETENTIONINDEX:
SPECTRUMTYPE:Centroid
Num Peaks:2
428.3739 27323731
454.3894 5088107

NAME:C141
IONMODE:Negative
RETENTIONTIME:536.31
RETENTIONINDEX:
SPECTRUMTYPE:Centroid
Num Peaks:2
333.1517 8840004
334.1551 1501440

NAME:C142
IONMODE:Negative
RETENTIONTIME:543.48
RETENTIONINDEX:
SPECTRUMTYPE:Centroid
Num Peaks:2
383.188 14719171
384.1866 3279849

NAME:C143
IONMODE:Negative
RETENTIONTIME:548.78
RETENTIONINDEX:
SPECTRUMTYPE:Centroid
Num Peaks:2
387.1432 12915848
407.6598 4564346

NAME:C144
IONMODE:Negative
RETENTIONTIME:553.62
RETENTIONINDEX:
SPECTRUMTYPE:Centroid
Num Peaks:2
359.1781 45383099
360.185 9704481

NAME:C145
IONMODE:Negative
RETENTIONTIME:545.31
RETENTIONINDEX:
SPECTRUMTYPE:Centroid
Num Peaks:2
443.3331 1151694
394.3559 432819

NAME:C146
IONMODE:Negative
RETENTIONTIME:551.39
RETENTIONINDEX:
SPECTRUMTYPE:Centroid
Num Peaks:2
350.1838 4199726
365.2288 1932289

NAME:C147
IONMODE:Negative
RETENTIONTIME:563.22
RETENTIONINDEX:
SPECTRUMTYPE:Centroid
Num Peaks:2
282.2792 241362345
256.2615 19433189

NAME:C148
IONMODE:Negative
RETENTIONTIME:548.47
RETENTIONINDEX:
SPECTRUMTYPE:Centroid
Num Peaks:2
305.2468 9633582
329.249 5814756

NAME:C149
IONMODE:Negative
RETENTIONTIME:350.93
RETENTIONINDEX:
SPECTRUMTYPE:Centroid
Num Peaks:2
130.0643 7419216
190.0865 4433780

NAME:C150
IONMODE:Negative
RETENTIONTIME:365.37
RETENTIONINDEX:
SPECTRUMTYPE:Centroid
Num Peaks:2
490.2083 5275418
465.1226 1763287

NAME:C151
IONMODE:Negative
RETENTIONTIME:394.87
RETENTIONINDEX:
SPECTRUMTYPE:Centroid
Num Peaks:2
328.2481 11119434
329.2519 2068394

NAME:C152
IONMODE:Negative
RETENTIONTIME:385.78
RETENTIONINDEX:
SPECTRUMTYPE:Centroid
Num Peaks:2
427.1607 2275086
409.1497 1369551

NAME:C153
IONMODE:Negative
RETENTIONTIME:401.39
RETENTIONINDEX:
SPECTRUMTYPE:Centroid
Num Peaks:2
107.0557 2271180
197.1612 1286942

NAME:C154
IONMODE:Negative
RETENTIONTIME:388.72
RETENTIONINDEX:
SPECTRUMTYPE:Centroid
Num Peaks:2
239.1276 1743749
286.9585 1645545

NAME:C155
IONMODE:Negative
RETENTIONTIME:373.67
RETENTIONINDEX:
SPECTRUMTYPE:Centroid
Num Peaks:2
507.1617 6285930
508.1657 1535734

NAME:C156
IONMODE:Negative
RETENTIONTIME:378.37
RETENTIONINDEX:
SPECTRUMTYPE:Centroid
Num Peaks:2
777.6928 4522421
257.2254 3302868

NAME:C157
IONMODE:Negative
RETENTIONTIME:473.08
RETENTIONINDEX:
SPECTRUMTYPE:Centroid
Num Peaks:2
534.2949 13399261
267.6425 11780168

NAME:C158
IONMODE:Negative
RETENTIONTIME:508.15
RETENTIONINDEX:
SPECTRUMTYPE:Centroid
Num Peaks:2
380.2992 5790633
423.2518 1386850

NAME:C159
IONMODE:Negative
RETENTIONTIME:471.89
RETENTIONINDEX:
SPECTRUMTYPE:Centroid
Num Peaks:2
304.2357 21716257
306.1523 8327492

NAME:C160
IONMODE:Negative
RETENTIONTIME:465.45
RETENTIONINDEX:
SPECTRUMTYPE:Centroid
Num Peaks:2
295.1974 20379534
193.1239 1274413

NAME:C161
IONMODE:Negative
RETENTIONTIME:488.7
RETENTIONINDEX:
SPECTRUMTYPE:Centroid
Num Peaks:2
667.4214 3075774
1189.7766 2040172

NAME:C162
IONMODE:Negative
RETENTIONTIME:471.97
RETENTIONINDEX:
SPECTRUMTYPE:Centroid
Num Peaks:2
393.2201 8389493
316.6601 7221684

NAME:C163
IONMODE:Negative
RETENTIONTIME:465.16
RETENTIONINDEX:
SPECTRUMTYPE:Centroid
Num Peaks:2
431.3157 12163271
422.3267 4962906

NAME:C164
IONMODE:Negative
RETENTIONTIME:474.29
RETENTIONINDEX:
SPECTRUMTYPE:Centroid
Num Peaks:2
398.3268 11918127
239.1779 8236995

NAME:C165
IONMODE:Negative
RETENTIONTIME:477.74
RETENTIONINDEX:
SPECTRUMTYPE:Centroid
Num Peaks:2
307.15 1941191
249.1858 1576729

NAME:C166
IONMODE:Negative
RETENTIONTIME:494.51
RETENTIONINDEX:
SPECTRUMTYPE:Centroid
Num Peaks:2
355.2846 54372680
373.2951 6108864

NAME:C167
IONMODE:Negative
RETENTIONTIME:497.67
RETENTIONINDEX:
SPECTRUMTYPE:Centroid
Num Peaks:2
474.3486 2732000
649.4483 2434649

NAME:C168
IONMODE:Negative
RETENTIONTIME:498.02
RETENTIONINDEX:
SPECTRUMTYPE:Centroid
Num Peaks:2
539.4163 5285541
459.2569 3550909

NAME:C169
IONMODE:Negative
RETENTIONTIME:492.45
RETENTIONINDEX:
SPECTRUMTYPE:Centroid
Num Peaks:2
732.5452 4526953
733.5465 1043642

NAME:C170
IONMODE:Negative
RETENTIONTIME:497.3
RETENTIONINDEX:
SPECTRUMTYPE:Centroid
Num Peaks:2
451.3631 6446370
450.3586 4210116

NAME:C171
IONMODE:Negative
RETENTIONTIME:467.81
RETENTIONINDEX:
SPECTRUMTYPE:Centroid
Num Peaks:2
185.0776 5067455
200.203 1398415

NAME:C172
IONMODE:Negative
RETENTIONTIME:457.02
RETENTIONINDEX:
SPECTRUMTYPE:Centroid
Num Peaks:2
263.2347 3933284
615.2633 1132491

NAME:C173
IONMODE:Negative
RETENTIONTIME:443.89
RETENTIONINDEX:
SPECTRUMTYPE:Centroid
Num Peaks:2
370.2956 41596161
371.304 9966707

NAME:C174
IONMODE:Negative
RETENTIONTIME:438.81
RETENTIONINDEX:
SPECTRUMTYPE:Centroid
Num Peaks:2
579.2938 6044865
330.2563 5274387