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Name
Formula / Structure
ExactMass
ID
Amiloride
121 spectra
C6H8ClN7O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
229.04790
ESI-QTOF; MS2; CE: 10eV; R=15000; [M+H]+
HB002620
ESI-QTOF; MS2; CE: 15eV; R=15000; [M+H]+
HB002621
ESI-QTOF; MS2; CE: 20eV; R=15000; [M+H]+
HB002622
ESI-QTOF; MS2; CE: 25eV; R=15000; [M+H]+
HB002623
ESI-QTOF; MS2; CE: 30eV; R=15000; [M+H]+
HB002624
ESI-QTOF; MS2; CE: 35eV; R=15000; [M+H]+
HB002625
ESI-QTOF; MS2; CE: 40eV; R=15000; [M+H]+
HB002626
ESI-QTOF; MS2; CE: 45eV; R=15000; [M+H]+
HB002627
ESI-QTOF; MS2; CE: 50eV; R=15000; [M+H]+
HB002629
ESI-QTOF; MS2; CE: 5eV; R=15000; [M+H]+
HB002628
LC-ESI-ITFT; MS2; CE: 10%; R=15000; [M+H]+
HB000101
LC-ESI-ITFT; MS2; CE: 10%; R=7500; [M+H]+
HB002246
LC-ESI-ITFT; MS2; CE: 100%; R=15000; [M+H]+
HB000131
LC-ESI-ITFT; MS2; CE: 100%; R=15000; [M+H]+
HB000147
LC-ESI-ITFT; MS2; CE: 105%; R=15000; [M+H]+
HB000136
LC-ESI-ITFT; MS2; CE: 105%; R=15000; [M+H]+
HB000144
LC-ESI-ITFT; MS2; CE: 110%; R=15000; [M+H]+
HB000133
LC-ESI-ITFT; MS2; CE: 110%; R=15000; [M+H]+
HB000149
LC-ESI-ITFT; MS2; CE: 115%; R=15000; [M+H]+
HB000138
LC-ESI-ITFT; MS2; CE: 115%; R=15000; [M+H]+
HB000152
LC-ESI-ITFT; MS2; CE: 120%; R=15000; [M+H]+
HB000135
LC-ESI-ITFT; MS2; CE: 120%; R=15000; [M+H]+
HB000157
LC-ESI-ITFT; MS2; CE: 125%; R=15000; [M+H]+
HB000140
LC-ESI-ITFT; MS2; CE: 125%; R=15000; [M+H]+
HB000154
LC-ESI-ITFT; MS2; CE: 130%; R=15000; [M+H]+
HB000141
LC-ESI-ITFT; MS2; CE: 130%; R=15000; [M+H]+
HB000159
LC-ESI-ITFT; MS2; CE: 135%; R=15000; [M+H]+
HB000146
LC-ESI-ITFT; MS2; CE: 140%; R=15000; [M+H]+
HB000143
LC-ESI-ITFT; MS2; CE: 145%; R=15000; [M+H]+
HB000148
LC-ESI-ITFT; MS2; CE: 15%; R=15000; [M+H]+
HB000102
LC-ESI-ITFT; MS2; CE: 15%; R=15000; [M+H]+
HB000106
LC-ESI-ITFT; MS2; CE: 15%; R=7500; [M+H]+
HB002247
LC-ESI-ITFT; MS2; CE: 150%; R=15000; [M+H]+
HB000145
LC-ESI-ITFT; MS2; CE: 155%; R=15000; [M+H]+
HB000150
LC-ESI-ITFT; MS2; CE: 160%; R=15000; [M+H]+
HB000151
LC-ESI-ITFT; MS2; CE: 165%; R=15000; [M+H]+
HB000156
LC-ESI-ITFT; MS2; CE: 170%; R=15000; [M+H]+
HB000153
LC-ESI-ITFT; MS2; CE: 175%; R=15000; [M+H]+
HB000158
LC-ESI-ITFT; MS2; CE: 180%; R=15000; [M+H]+
HB000155
LC-ESI-ITFT; MS2; CE: 185%; R=15000; [M+H]+
HB000160
LC-ESI-ITFT; MS2; CE: 20%; R=15000; [M+H]+
HB000103
LC-ESI-ITFT; MS2; CE: 20%; R=15000; [M+H]+
HB000107
LC-ESI-ITFT; MS2; CE: 20%; R=7500; [M+H]+
HB002248
LC-ESI-ITFT; MS2; CE: 25%; R=15000; [M+H]+
HB000108
LC-ESI-ITFT; MS2; CE: 25%; R=7500; [M+H]+
HB002249
LC-ESI-ITFT; MS2; CE: 30%; R=15000; [M+H]+
HB000105
LC-ESI-ITFT; MS2; CE: 30%; R=15000; [M+H]+
HB000109
LC-ESI-ITFT; MS2; CE: 30%; R=7500; [M+H]+
HB002250
LC-ESI-ITFT; MS2; CE: 35%; R=15000; [M+H]+
HB000104
LC-ESI-ITFT; MS2; CE: 35%; R=15000; [M+H]+
HB000110
LC-ESI-ITFT; MS2; CE: 35%; R=15000; [M+H]+
HB000112
LC-ESI-ITFT; MS2; CE: 35%; R=7500; [M+H]+
HB002251
LC-ESI-ITFT; MS2; CE: 40%; R=15000; [M+H]+
HB000111
LC-ESI-ITFT; MS2; CE: 40%; R=15000; [M+H]+
HB000117
LC-ESI-ITFT; MS2; CE: 40%; R=7500; [M+H]+
HB002252
LC-ESI-ITFT; MS2; CE: 45%; R=15000; [M+H]+
HB000114
LC-ESI-ITFT; MS2; CE: 45%; R=15000; [M+H]+
HB000116
LC-ESI-ITFT; MS2; CE: 45%; R=7500; [M+H]+
HB002253
LC-ESI-ITFT; MS2; CE: 5%; R=7500; [M+H]+
HB002254
LC-ESI-ITFT; MS2; CE: 50%; R=15000; [M+H]+
HB000113
LC-ESI-ITFT; MS2; CE: 50%; R=15000; [M+H]+
HB000119
LC-ESI-ITFT; MS2; CE: 50%; R=7500; [M+H]+
HB002255
LC-ESI-ITFT; MS2; CE: 55%; R=15000; [M+H]+
HB000118
LC-ESI-ITFT; MS2; CE: 55%; R=15000; [M+H]+
HB000122
LC-ESI-ITFT; MS2; CE: 55%; R=7500; [M+H]+
HB002256
LC-ESI-ITFT; MS2; CE: 60%; R=15000; [M+H]+
HB000115
LC-ESI-ITFT; MS2; CE: 60%; R=15000; [M+H]+
HB000127
LC-ESI-ITFT; MS2; CE: 60%; R=7500; [M+H]+
HB002257
LC-ESI-ITFT; MS2; CE: 65%; R=15000; [M+H]+
HB000120
LC-ESI-ITFT; MS2; CE: 65%; R=15000; [M+H]+
HB000124
LC-ESI-ITFT; MS2; CE: 65%; R=7500; [M+H]+
HB002258
LC-ESI-ITFT; MS2; CE: 70%; R=15000; [M+H]+
HB000121
LC-ESI-ITFT; MS2; CE: 70%; R=15000; [M+H]+
HB000129
LC-ESI-ITFT; MS2; CE: 70%; R=7500; [M+H]+
HB002259
LC-ESI-ITFT; MS2; CE: 75%; R=15000; [M+H]+
HB000126
LC-ESI-ITFT; MS2; CE: 75%; R=15000; [M+H]+
HB000132
LC-ESI-ITFT; MS2; CE: 75%; R=7500; [M+H]+
HB002260
LC-ESI-ITFT; MS2; CE: 80%; R=15000; [M+H]+
HB000123
LC-ESI-ITFT; MS2; CE: 80%; R=15000; [M+H]+
HB000137
LC-ESI-ITFT; MS2; CE: 80%; R=7500; [M+H]+
HB002261
LC-ESI-ITFT; MS2; CE: 85%; R=15000; [M+H]+
HB000128
LC-ESI-ITFT; MS2; CE: 85%; R=15000; [M+H]+
HB000134
LC-ESI-ITFT; MS2; CE: 90%; R=15000; [M+H]+
HB000125
LC-ESI-ITFT; MS2; CE: 90%; R=15000; [M+H]+
HB000139
LC-ESI-ITFT; MS2; CE: 95%; R=15000; [M+H]+
HB000130
LC-ESI-ITFT; MS2; CE: 95%; R=15000; [M+H]+
HB000142
LC-ESI-QFT; MS2; CE: 10%; R=17500; [M+H]+
HB002021
LC-ESI-QFT; MS2; CE: 10%; R=30000; [M+H]+
HB001961
LC-ESI-QFT; MS2; CE: 15%; R=17500; [M+H]+
HB002022
LC-ESI-QFT; MS2; CE: 20%; R=17500; [M+H]+
HB002023
LC-ESI-QFT; MS2; CE: 20%; R=30000; [M+H]+
HB001962
LC-ESI-QFT; MS2; CE: 25%; R=17500; [M+H]+
HB002024
LC-ESI-QFT; MS2; CE: 30%; R=17500; [M+H]+
HB002025
LC-ESI-QFT; MS2; CE: 35%; R=17500; [M+H]+
HB002026
LC-ESI-QFT; MS2; CE: 40%; R=17500; [M+H]+
HB002027
LC-ESI-QFT; MS2; CE: 40%; R=30000; [M+H]+
HB001963
LC-ESI-QFT; MS2; CE: 45%; R=17500; [M+H]+
HB002028
LC-ESI-QFT; MS2; CE: 50%; R=17500; [M+H]+
HB002029
LC-ESI-QFT; MS2; CE: 55%; R=17500; [M+H]+
HB002030
LC-ESI-QFT; MS2; CE: 60%; R=17500; [M+H]+
HB002031
LC-ESI-QFT; MS2; CE: 65%; R=17500; [M+H]+
HB002032
LC-ESI-QFT; MS2; CE: 70%; R=17500; [M+H]+
HB002033
LC-ESI-QFT; MS2; CE: 75%; R=17500; [M+H]+
HB002034
LC-ESI-QFT; MS2; CE: 80%; R=17500; [M+H]+
HB002035
LC-ESI-QFT; MS2; CE: 80%; R=30000; [M+H]+
HB001964
LC-ESI-QFT; MS2; CE: CE15; R=17500; [M+H]+
HB002803
LC-ESI-QFT; MS2; CE: CE30; R=17500; [M+H]+
HB002804
LC-ESI-QFT; MS2; CE: CE45; R=17500; [M+H]+
HB002805
LC-ESI-QFT; MS2; CE: CE60; R=17500; [M+H]+
HB002806
LC-ESI-QFT; MS2; CE: CE75; R=17500; [M+H]+
HB002807
LC-ESI-QFT; MS2; CE: CE90; R=17500; [M+H]+
HB002808
LC-ESI-QTOF; MS2; CE: 10 eV; R=3600; [M+H]+
HB002469
LC-ESI-QTOF; MS2; CE: 15 eV; R=3600; [M+H]+
HB002470
LC-ESI-QTOF; MS2; CE: 20 eV; R=3600; [M+H]+
HB002471
LC-ESI-QTOF; MS2; CE: 25 eV; R=3600; [M+H]+
HB002472
LC-ESI-QTOF; MS2; CE: 30 eV; R=3600; [M+H]+
HB002473
LC-ESI-QTOF; MS2; CE: 35 eV; R=3600; [M+H]+
HB002474
LC-ESI-QTOF; MS2; CE: 40 eV; R=3600; [M+H]+
HB002475
LC-ESI-QTOF; MS2; CE: 45 eV; R=3600; [M+H]+
HB002476
LC-ESI-QTOF; MS2; CE: 5 eV; R=3600; [M+H]+
HB002478
LC-ESI-QTOF; MS2; CE: 50 eV; R=3600; [M+H]+
HB002477
Antipyrine
60 spectra
C11H12N2O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
188.09500
LC-ESI-ITFT; MS2; CE: 10%; R=15000; [M+H]+
HB001301
LC-ESI-ITFT; MS2; CE: 100%; R=15000; [M+H]+
HB001331
LC-ESI-ITFT; MS2; CE: 100%; R=15000; [M+H]+
HB001347
LC-ESI-ITFT; MS2; CE: 105%; R=15000; [M+H]+
HB001336
LC-ESI-ITFT; MS2; CE: 105%; R=15000; [M+H]+
HB001344
LC-ESI-ITFT; MS2; CE: 110%; R=15000; [M+H]+
HB001333
LC-ESI-ITFT; MS2; CE: 110%; R=15000; [M+H]+
HB001349
LC-ESI-ITFT; MS2; CE: 115%; R=15000; [M+H]+
HB001338
LC-ESI-ITFT; MS2; CE: 115%; R=15000; [M+H]+
HB001352
LC-ESI-ITFT; MS2; CE: 120%; R=15000; [M+H]+
HB001335
LC-ESI-ITFT; MS2; CE: 120%; R=15000; [M+H]+
HB001357
LC-ESI-ITFT; MS2; CE: 125%; R=15000; [M+H]+
HB001340
LC-ESI-ITFT; MS2; CE: 125%; R=15000; [M+H]+
HB001354
LC-ESI-ITFT; MS2; CE: 130%; R=15000; [M+H]+
HB001341
LC-ESI-ITFT; MS2; CE: 130%; R=15000; [M+H]+
HB001359
LC-ESI-ITFT; MS2; CE: 135%; R=15000; [M+H]+
HB001346
LC-ESI-ITFT; MS2; CE: 140%; R=15000; [M+H]+
HB001343
LC-ESI-ITFT; MS2; CE: 145%; R=15000; [M+H]+
HB001348
LC-ESI-ITFT; MS2; CE: 15%; R=15000; [M+H]+
HB001302
LC-ESI-ITFT; MS2; CE: 15%; R=15000; [M+H]+
HB001306
LC-ESI-ITFT; MS2; CE: 150%; R=15000; [M+H]+
HB001345
LC-ESI-ITFT; MS2; CE: 155%; R=15000; [M+H]+
HB001350
LC-ESI-ITFT; MS2; CE: 160%; R=15000; [M+H]+
HB001351
LC-ESI-ITFT; MS2; CE: 165%; R=15000; [M+H]+
HB001356
LC-ESI-ITFT; MS2; CE: 170%; R=15000; [M+H]+
HB001353
LC-ESI-ITFT; MS2; CE: 175%; R=15000; [M+H]+
HB001358
LC-ESI-ITFT; MS2; CE: 180%; R=15000; [M+H]+
HB001355
LC-ESI-ITFT; MS2; CE: 185%; R=15000; [M+H]+
HB001360
LC-ESI-ITFT; MS2; CE: 20%; R=15000; [M+H]+
HB001303
LC-ESI-ITFT; MS2; CE: 20%; R=15000; [M+H]+
HB001307
LC-ESI-ITFT; MS2; CE: 25%; R=15000; [M+H]+
HB001308
LC-ESI-ITFT; MS2; CE: 30%; R=15000; [M+H]+
HB001305
LC-ESI-ITFT; MS2; CE: 30%; R=15000; [M+H]+
HB001309
LC-ESI-ITFT; MS2; CE: 35%; R=15000; [M+H]+
HB001304
LC-ESI-ITFT; MS2; CE: 35%; R=15000; [M+H]+
HB001310
LC-ESI-ITFT; MS2; CE: 35%; R=15000; [M+H]+
HB001312
LC-ESI-ITFT; MS2; CE: 40%; R=15000; [M+H]+
HB001311
LC-ESI-ITFT; MS2; CE: 40%; R=15000; [M+H]+
HB001317
LC-ESI-ITFT; MS2; CE: 45%; R=15000; [M+H]+
HB001314
LC-ESI-ITFT; MS2; CE: 45%; R=15000; [M+H]+
HB001316
LC-ESI-ITFT; MS2; CE: 50%; R=15000; [M+H]+
HB001313
LC-ESI-ITFT; MS2; CE: 50%; R=15000; [M+H]+
HB001319
LC-ESI-ITFT; MS2; CE: 55%; R=15000; [M+H]+
HB001318
LC-ESI-ITFT; MS2; CE: 55%; R=15000; [M+H]+
HB001322
LC-ESI-ITFT; MS2; CE: 60%; R=15000; [M+H]+
HB001315
LC-ESI-ITFT; MS2; CE: 60%; R=15000; [M+H]+
HB001327
LC-ESI-ITFT; MS2; CE: 65%; R=15000; [M+H]+
HB001320
LC-ESI-ITFT; MS2; CE: 65%; R=15000; [M+H]+
HB001324
LC-ESI-ITFT; MS2; CE: 70%; R=15000; [M+H]+
HB001321
LC-ESI-ITFT; MS2; CE: 70%; R=15000; [M+H]+
HB001329
LC-ESI-ITFT; MS2; CE: 75%; R=15000; [M+H]+
HB001326
LC-ESI-ITFT; MS2; CE: 75%; R=15000; [M+H]+
HB001332
LC-ESI-ITFT; MS2; CE: 80%; R=15000; [M+H]+
HB001323
LC-ESI-ITFT; MS2; CE: 80%; R=15000; [M+H]+
HB001337
LC-ESI-ITFT; MS2; CE: 85%; R=15000; [M+H]+
HB001328
LC-ESI-ITFT; MS2; CE: 85%; R=15000; [M+H]+
HB001334
LC-ESI-ITFT; MS2; CE: 90%; R=15000; [M+H]+
HB001325
LC-ESI-ITFT; MS2; CE: 90%; R=15000; [M+H]+
HB001339
LC-ESI-ITFT; MS2; CE: 95%; R=15000; [M+H]+
HB001330
LC-ESI-ITFT; MS2; CE: 95%; R=15000; [M+H]+
HB001342
Atrazine-desamin (TENTATIVE)
1 spectrum
C8H13ClN4O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
232.07179
LC-ESI-QFT; MS2; CE: 30%; R=70000; [M+H]+
HB002826
Atrazine-desaturated (TENTATIVE)
2 spectra
C8H12ClN5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
213.07710
LC-ESI-QFT; MS2; CE: 30%; R=70000; [M+H]+
HB002824
LC-ESI-QFT; MS2; CE: 30%; R=70000; [M+H]+
HB002825
Atrazine-deschloro-OH (PROBABLE)
1 spectrum
C8H15N5O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
197.12680
LC-ESI-QFT; MS2; CE: 30%; R=70000; [M+H]+
HB002831
Atrazine-desethyl (PROBABLE)
1 spectrum
C6H10ClN5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
187.06239
LC-ESI-QFT; MS2; CE: 30%; R=70000; [M+H]+
HB002823
Atrazine-despropyl (PROBABLE)
1 spectrum
C5H8ClN5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
173.04601
LC-ESI-QFT; MS2; CE: 30%; R=70000; [M+H]+
HB002822
Atrazine-despropyl-desethyl (TENTATIVE)
1 spectrum
C3H4ClN5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
145.01460
LC-ESI-QFT; MS2; CE: 30%; R=70000; [M+H]+
HB002821
Atrazine-OH (TENTATIVE)
4 spectra
C8H14ClN5O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
231.08771
LC-ESI-QFT; MS2; CE: 30%; R=70000; [M+H]+
HB002827
LC-ESI-QFT; MS2; CE: 30%; R=70000; [M+H]+
HB002828
LC-ESI-QFT; MS2; CE: 30%; R=70000; [M+H]+
HB002829
LC-ESI-QFT; MS2; CE: 30%; R=70000; [M+H]+
HB002830
Azoxystrobin-desmethyl (Unequivocal molecular form...
2 spectra
C21H15N3O5
389.09970
LC-ESI-QFT; MS2; CE: 30%; R=70000; [M+H]+
HB002833
LC-ESI-QFT; MS2; CE: 30%; R=70000; [M+H]+
HB002834
Azoxystrobin-metabolite (TENTATIVE)
1 spectrum
C11H7N3O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
213.05290
LC-ESI-QFT; MS2; CE: 30%; R=70000; [M+H]+
HB002832
Azoxystrobin-OH (TENTATIVE)
2 spectra
C22H17N3O6
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
419.11020
LC-ESI-QFT; MS2; CE: 30%; R=70000; [M+H]+
HB002835
LC-ESI-QFT; MS2; CE: 30%; R=70000; [M+H]+
HB002836
Chlorotoluron-Chloromethylanilin (TENTATIVE)
1 spectrum
C7H8ClN
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
141.03380
LC-ESI-QFT; MS2; CE: 30%; R=70000; [M+H]+
HB002842
Chlorotoluron-deschloro-OH (TENTATIVE)
1 spectrum
C10H14N2O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
194.10550
LC-ESI-QFT; MS2; CE: 30%; R=70000; [M+H]+
HB002841
Chlorotoluron-desmethyl (TENTATIVE)
1 spectrum
C9H11ClN2O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
198.05600
LC-ESI-QFT; MS2; CE: 42%; R=70000; [M-H]-
HB002936
Chlorotoluron-diOH (TENTATIVE)
4 spectra
C10H13ClN2O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
244.06149
LC-ESI-QFT; MS2; CE: 30%; R=70000; [M-H]-
HB002932
LC-ESI-QFT; MS2; CE: 42%; R=70000; [M-H]-
HB002933
LC-ESI-QFT; MS2; CE: 42%; R=70000; [M-H]-
HB002934
LC-ESI-QFT; MS2; CE: 55%; R=70000; [M-H]-
HB002935
Chlorotoluron-metabolite (TENTATIVE)
1 spectrum
C8H10ClNO2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
187.03990
LC-ESI-QFT; MS2; CE: 30%; R=70000; [M+H]+
HB002843
Chlorotoluron-metabolite (Unequivocal molecular fo...
1 spectrum
C10H11ClN2O2
226.05000
LC-ESI-QFT; MS2; CE: 30%; R=70000; [M+H]+
HB002837
Chlorotoluron-OH (TENTATIVE)
3 spectra
C10H13ClN2O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
228.06540
LC-ESI-QFT; MS2; CE: 30%; R=70000; [M+H]+
HB002838
LC-ESI-QFT; MS2; CE: 55%; R=70000; [M+H]+
HB002839
LC-ESI-QFT; MS2; CE: 55%; R=70000; [M+H]+
HB002840
Chlorotoluron-OH-desmethyl (TENTATIVE)
4 spectra
C9H11ClN2O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
214.04990
LC-ESI-QFT; MS2; CE: 30%; R=70000; [M+H]+
HB002844
LC-ESI-QFT; MS2; CE: 30%; R=70000; [M+H]+
HB002845
LC-ESI-QFT; MS2; CE: 55%; R=70000; [M+H]+
HB002846
LC-ESI-QFT; MS2; CE: 55%; R=70000; [M+H]+
HB002847
Chlorpyriphos-deschloro (TENTATIVE)
1 spectrum
C5H2Cl3NO
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
196.92020
LC-ESI-QFT; MS2; CE: 42%; R=70000; [M-H]-
HB002937
Cyclizine
120 spectra
C18H22N2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
266.17831
ESI-QTOF; MS2; CE: 10eV; R=15000; [M+H]+
HB002630
ESI-QTOF; MS2; CE: 15eV; R=15000; [M+H]+
HB002631
ESI-QTOF; MS2; CE: 20eV; R=15000; [M+H]+
HB002632
ESI-QTOF; MS2; CE: 25eV; R=15000; [M+H]+
HB002633
ESI-QTOF; MS2; CE: 30eV; R=15000; [M+H]+
HB002634
ESI-QTOF; MS2; CE: 35eV; R=15000; [M+H]+
HB002635
ESI-QTOF; MS2; CE: 40eV; R=15000; [M+H]+
HB002636
ESI-QTOF; MS2; CE: 45eV; R=15000; [M+H]+
HB002637
ESI-QTOF; MS2; CE: 50eV; R=15000; [M+H]+
HB002639
ESI-QTOF; MS2; CE: 5eV; R=15000; [M+H]+
HB002638
LC-ESI-ITFT; MS2; CE: 10%; R=15000; [M+H]+
HB000401
LC-ESI-ITFT; MS2; CE: 10%; R=7500; [M+H]+
HB002262
LC-ESI-ITFT; MS2; CE: 100%; R=15000; [M+H]+
HB000431
LC-ESI-ITFT; MS2; CE: 100%; R=15000; [M+H]+
HB000447
LC-ESI-ITFT; MS2; CE: 105%; R=15000; [M+H]+
HB000436
LC-ESI-ITFT; MS2; CE: 105%; R=15000; [M+H]+
HB000444
LC-ESI-ITFT; MS2; CE: 110%; R=15000; [M+H]+
HB000433
LC-ESI-ITFT; MS2; CE: 110%; R=15000; [M+H]+
HB000449
LC-ESI-ITFT; MS2; CE: 115%; R=15000; [M+H]+
HB000438
LC-ESI-ITFT; MS2; CE: 115%; R=15000; [M+H]+
HB000452
LC-ESI-ITFT; MS2; CE: 120%; R=15000; [M+H]+
HB000435
LC-ESI-ITFT; MS2; CE: 120%; R=15000; [M+H]+
HB000457
LC-ESI-ITFT; MS2; CE: 125%; R=15000; [M+H]+
HB000440
LC-ESI-ITFT; MS2; CE: 125%; R=15000; [M+H]+
HB000454
LC-ESI-ITFT; MS2; CE: 130%; R=15000; [M+H]+
HB000441
LC-ESI-ITFT; MS2; CE: 130%; R=15000; [M+H]+
HB000459
LC-ESI-ITFT; MS2; CE: 135%; R=15000; [M+H]+
HB000446
LC-ESI-ITFT; MS2; CE: 140%; R=15000; [M+H]+
HB000443
LC-ESI-ITFT; MS2; CE: 145%; R=15000; [M+H]+
HB000448
LC-ESI-ITFT; MS2; CE: 15%; R=15000; [M+H]+
HB000402
LC-ESI-ITFT; MS2; CE: 15%; R=15000; [M+H]+
HB000406
LC-ESI-ITFT; MS2; CE: 15%; R=7500; [M+H]+
HB002263
LC-ESI-ITFT; MS2; CE: 150%; R=15000; [M+H]+
HB000445
LC-ESI-ITFT; MS2; CE: 155%; R=15000; [M+H]+
HB000450
LC-ESI-ITFT; MS2; CE: 160%; R=15000; [M+H]+
HB000451
LC-ESI-ITFT; MS2; CE: 165%; R=15000; [M+H]+
HB000456
LC-ESI-ITFT; MS2; CE: 170%; R=15000; [M+H]+
HB000453
LC-ESI-ITFT; MS2; CE: 175%; R=15000; [M+H]+
HB000458
LC-ESI-ITFT; MS2; CE: 180%; R=15000; [M+H]+
HB000455
LC-ESI-ITFT; MS2; CE: 185%; R=15000; [M+H]+
HB000460
LC-ESI-ITFT; MS2; CE: 20%; R=15000; [M+H]+
HB000403
LC-ESI-ITFT; MS2; CE: 20%; R=15000; [M+H]+
HB000407
LC-ESI-ITFT; MS2; CE: 20%; R=7500; [M+H]+
HB002264
LC-ESI-ITFT; MS2; CE: 25%; R=15000; [M+H]+
HB000408
LC-ESI-ITFT; MS2; CE: 25%; R=7500; [M+H]+
HB002265
LC-ESI-ITFT; MS2; CE: 30%; R=15000; [M+H]+
HB000405
LC-ESI-ITFT; MS2; CE: 30%; R=15000; [M+H]+
HB000409
LC-ESI-ITFT; MS2; CE: 30%; R=7500; [M+H]+
HB002266
LC-ESI-ITFT; MS2; CE: 35%; R=15000; [M+H]+
HB000404
LC-ESI-ITFT; MS2; CE: 35%; R=15000; [M+H]+
HB000410
LC-ESI-ITFT; MS2; CE: 35%; R=15000; [M+H]+
HB000412
LC-ESI-ITFT; MS2; CE: 35%; R=7500; [M+H]+
HB002267
LC-ESI-ITFT; MS2; CE: 40%; R=15000; [M+H]+
HB000411
LC-ESI-ITFT; MS2; CE: 40%; R=15000; [M+H]+
HB000417
LC-ESI-ITFT; MS2; CE: 40%; R=7500; [M+H]+
HB002268
LC-ESI-ITFT; MS2; CE: 45%; R=15000; [M+H]+
HB000414
LC-ESI-ITFT; MS2; CE: 45%; R=15000; [M+H]+
HB000416
LC-ESI-ITFT; MS2; CE: 45%; R=7500; [M+H]+
HB002269
LC-ESI-ITFT; MS2; CE: 5%; R=7500; [M+H]+
HB002270
LC-ESI-ITFT; MS2; CE: 50%; R=15000; [M+H]+
HB000413
LC-ESI-ITFT; MS2; CE: 50%; R=15000; [M+H]+
HB000419
LC-ESI-ITFT; MS2; CE: 50%; R=7500; [M+H]+
HB002271
LC-ESI-ITFT; MS2; CE: 55%; R=15000; [M+H]+
HB000418
LC-ESI-ITFT; MS2; CE: 55%; R=15000; [M+H]+
HB000422
LC-ESI-ITFT; MS2; CE: 55%; R=7500; [M+H]+
HB002272
LC-ESI-ITFT; MS2; CE: 60%; R=15000; [M+H]+
HB000415
LC-ESI-ITFT; MS2; CE: 60%; R=15000; [M+H]+
HB000427
LC-ESI-ITFT; MS2; CE: 60%; R=7500; [M+H]+
HB002273
LC-ESI-ITFT; MS2; CE: 65%; R=15000; [M+H]+
HB000420
LC-ESI-ITFT; MS2; CE: 65%; R=15000; [M+H]+
HB000424
LC-ESI-ITFT; MS2; CE: 65%; R=7500; [M+H]+
HB002274
LC-ESI-ITFT; MS2; CE: 70%; R=15000; [M+H]+
HB000421
LC-ESI-ITFT; MS2; CE: 70%; R=15000; [M+H]+
HB000429
LC-ESI-ITFT; MS2; CE: 70%; R=7500; [M+H]+
HB002275
LC-ESI-ITFT; MS2; CE: 75%; R=15000; [M+H]+
HB000426
LC-ESI-ITFT; MS2; CE: 75%; R=15000; [M+H]+
HB000432
LC-ESI-ITFT; MS2; CE: 75%; R=7500; [M+H]+
HB002276
LC-ESI-ITFT; MS2; CE: 80%; R=15000; [M+H]+
HB000423
LC-ESI-ITFT; MS2; CE: 80%; R=15000; [M+H]+
HB000437
LC-ESI-ITFT; MS2; CE: 80%; R=7500; [M+H]+
HB002277
LC-ESI-ITFT; MS2; CE: 85%; R=15000; [M+H]+
HB000428
LC-ESI-ITFT; MS2; CE: 85%; R=15000; [M+H]+
HB000434
LC-ESI-ITFT; MS2; CE: 90%; R=15000; [M+H]+
HB000425
LC-ESI-ITFT; MS2; CE: 90%; R=15000; [M+H]+
HB000439
LC-ESI-ITFT; MS2; CE: 95%; R=15000; [M+H]+
HB000430
LC-ESI-ITFT; MS2; CE: 95%; R=15000; [M+H]+
HB000442
LC-ESI-QFT; MS2; CE: 10%; R=17500; [M+H]+
HB002036
LC-ESI-QFT; MS2; CE: 10%; R=30000; [M+H]+
HB001965
LC-ESI-QFT; MS2; CE: 15%; R=17500; [M+H]+
HB002037
LC-ESI-QFT; MS2; CE: 20%; R=17500; [M+H]+
HB002038
LC-ESI-QFT; MS2; CE: 20%; R=30000; [M+H]+
HB001966
LC-ESI-QFT; MS2; CE: 25%; R=17500; [M+H]+
HB002039
LC-ESI-QFT; MS2; CE: 30%; R=17500; [M+H]+
HB002040
LC-ESI-QFT; MS2; CE: 35%; R=17500; [M+H]+
HB002041
LC-ESI-QFT; MS2; CE: 40%; R=17500; [M+H]+
HB002042
LC-ESI-QFT; MS2; CE: 40%; R=30000; [M+H]+
HB001967
LC-ESI-QFT; MS2; CE: 45%; R=17500; [M+H]+
HB002043
LC-ESI-QFT; MS2; CE: 50%; R=17500; [M+H]+
HB002044
LC-ESI-QFT; MS2; CE: 55%; R=17500; [M+H]+
HB002045
LC-ESI-QFT; MS2; CE: 60%; R=17500; [M+H]+
HB002046
LC-ESI-QFT; MS2; CE: 65%; R=17500; [M+H]+
HB002047
LC-ESI-QFT; MS2; CE: 70%; R=17500; [M+H]+
HB002048
LC-ESI-QFT; MS2; CE: 75%; R=17500; [M+H]+
HB002049
LC-ESI-QFT; MS2; CE: 80%; R=17500; [M+H]+
HB002050
LC-ESI-QFT; MS2; CE: 80%; R=30000; [M+H]+
HB001968
LC-ESI-QFT; MS2; CE: CE30; R=17500; [M+H]+
HB002770
LC-ESI-QFT; MS2; CE: CE45; R=17500; [M+H]+
HB002771
LC-ESI-QFT; MS2; CE: CE60; R=17500; [M+H]+
HB002772
LC-ESI-QFT; MS2; CE: CE75; R=17500; [M+H]+
HB002773
LC-ESI-QFT; MS2; CE: CE90; R=17500; [M+H]+
HB002774
LC-ESI-QTOF; MS2; CE: 10 eV; R=3600; [M+H]+
HB002479
LC-ESI-QTOF; MS2; CE: 15 eV; R=3600; [M+H]+
HB002480
LC-ESI-QTOF; MS2; CE: 20 eV; R=3600; [M+H]+
HB002481
LC-ESI-QTOF; MS2; CE: 25 eV; R=3600; [M+H]+
HB002482
LC-ESI-QTOF; MS2; CE: 30 eV; R=3600; [M+H]+
HB002483
LC-ESI-QTOF; MS2; CE: 35 eV; R=3600; [M+H]+
HB002484
LC-ESI-QTOF; MS2; CE: 40 eV; R=3600; [M+H]+
HB002485
LC-ESI-QTOF; MS2; CE: 45 eV; R=3600; [M+H]+
HB002486
LC-ESI-QTOF; MS2; CE: 5 eV; R=3600; [M+H]+
HB002488
LC-ESI-QTOF; MS2; CE: 50 eV; R=3600; [M+H]+
HB002487
Cypermethrin-3-phenoxybenzoic-acid (TENTATIVE)
1 spectrum
C8H10Cl2O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
208.00580
LC-ESI-QFT; MS2; CE: 42%; R=70000; [M-H]-
HB002939
Cypermethrin-diOH (TENTATIVE)
1 spectrum
C13H10O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
230.05791
LC-ESI-QFT; MS2; CE: 42%; R=70000; [M-H]-
HB002938
Desipramine
121 spectra
C18H22N2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
266.17831
ESI-QTOF; MS2; CE: 10eV; R=15000; [M+H]+
HB002640
ESI-QTOF; MS2; CE: 15eV; R=15000; [M+H]+
HB002641
ESI-QTOF; MS2; CE: 20eV; R=15000; [M+H]+
HB002642
ESI-QTOF; MS2; CE: 25eV; R=15000; [M+H]+
HB002643
ESI-QTOF; MS2; CE: 30eV; R=15000; [M+H]+
HB002644
ESI-QTOF; MS2; CE: 35eV; R=15000; [M+H]+
HB002645
ESI-QTOF; MS2; CE: 40eV; R=15000; [M+H]+
HB002646
ESI-QTOF; MS2; CE: 45eV; R=15000; [M+H]+
HB002647
ESI-QTOF; MS2; CE: 50eV; R=15000; [M+H]+
HB002649
ESI-QTOF; MS2; CE: 5eV; R=15000; [M+H]+
HB002648
LC-ESI-ITFT; MS2; CE: 10%; R=15000; [M+H]+
HB000501
LC-ESI-ITFT; MS2; CE: 10%; R=7500; [M+H]+
HB002278
LC-ESI-ITFT; MS2; CE: 100%; R=15000; [M+H]+
HB000531
LC-ESI-ITFT; MS2; CE: 100%; R=15000; [M+H]+
HB000547
LC-ESI-ITFT; MS2; CE: 105%; R=15000; [M+H]+
HB000536
LC-ESI-ITFT; MS2; CE: 105%; R=15000; [M+H]+
HB000544
LC-ESI-ITFT; MS2; CE: 110%; R=15000; [M+H]+
HB000533
LC-ESI-ITFT; MS2; CE: 110%; R=15000; [M+H]+
HB000549
LC-ESI-ITFT; MS2; CE: 115%; R=15000; [M+H]+
HB000538
LC-ESI-ITFT; MS2; CE: 115%; R=15000; [M+H]+
HB000552
LC-ESI-ITFT; MS2; CE: 120%; R=15000; [M+H]+
HB000535
LC-ESI-ITFT; MS2; CE: 120%; R=15000; [M+H]+
HB000557
LC-ESI-ITFT; MS2; CE: 125%; R=15000; [M+H]+
HB000540
LC-ESI-ITFT; MS2; CE: 125%; R=15000; [M+H]+
HB000554
LC-ESI-ITFT; MS2; CE: 130%; R=15000; [M+H]+
HB000541
LC-ESI-ITFT; MS2; CE: 130%; R=15000; [M+H]+
HB000559
LC-ESI-ITFT; MS2; CE: 135%; R=15000; [M+H]+
HB000546
LC-ESI-ITFT; MS2; CE: 140%; R=15000; [M+H]+
HB000543
LC-ESI-ITFT; MS2; CE: 145%; R=15000; [M+H]+
HB000548
LC-ESI-ITFT; MS2; CE: 15%; R=15000; [M+H]+
HB000502
LC-ESI-ITFT; MS2; CE: 15%; R=15000; [M+H]+
HB000506
LC-ESI-ITFT; MS2; CE: 15%; R=7500; [M+H]+
HB002279
LC-ESI-ITFT; MS2; CE: 150%; R=15000; [M+H]+
HB000545
LC-ESI-ITFT; MS2; CE: 155%; R=15000; [M+H]+
HB000550
LC-ESI-ITFT; MS2; CE: 160%; R=15000; [M+H]+
HB000551
LC-ESI-ITFT; MS2; CE: 165%; R=15000; [M+H]+
HB000556
LC-ESI-ITFT; MS2; CE: 170%; R=15000; [M+H]+
HB000553
LC-ESI-ITFT; MS2; CE: 175%; R=15000; [M+H]+
HB000558
LC-ESI-ITFT; MS2; CE: 180%; R=15000; [M+H]+
HB000555
LC-ESI-ITFT; MS2; CE: 185%; R=15000; [M+H]+
HB000560
LC-ESI-ITFT; MS2; CE: 20%; R=15000; [M+H]+
HB000503
LC-ESI-ITFT; MS2; CE: 20%; R=15000; [M+H]+
HB000507
LC-ESI-ITFT; MS2; CE: 20%; R=7500; [M+H]+
HB002280
LC-ESI-ITFT; MS2; CE: 25%; R=15000; [M+H]+
HB000508
LC-ESI-ITFT; MS2; CE: 25%; R=7500; [M+H]+
HB002281
LC-ESI-ITFT; MS2; CE: 30%; R=15000; [M+H]+
HB000505
LC-ESI-ITFT; MS2; CE: 30%; R=15000; [M+H]+
HB000509
LC-ESI-ITFT; MS2; CE: 30%; R=7500; [M+H]+
HB002282
LC-ESI-ITFT; MS2; CE: 35%; R=15000; [M+H]+
HB000504
LC-ESI-ITFT; MS2; CE: 35%; R=15000; [M+H]+
HB000510
LC-ESI-ITFT; MS2; CE: 35%; R=15000; [M+H]+
HB000512
LC-ESI-ITFT; MS2; CE: 35%; R=7500; [M+H]+
HB002283
LC-ESI-ITFT; MS2; CE: 40%; R=15000; [M+H]+
HB000511
LC-ESI-ITFT; MS2; CE: 40%; R=15000; [M+H]+
HB000517
LC-ESI-ITFT; MS2; CE: 40%; R=7500; [M+H]+
HB002284
LC-ESI-ITFT; MS2; CE: 45%; R=15000; [M+H]+
HB000514
LC-ESI-ITFT; MS2; CE: 45%; R=15000; [M+H]+
HB000516
LC-ESI-ITFT; MS2; CE: 45%; R=7500; [M+H]+
HB002285
LC-ESI-ITFT; MS2; CE: 5%; R=7500; [M+H]+
HB002286
LC-ESI-ITFT; MS2; CE: 50%; R=15000; [M+H]+
HB000513
LC-ESI-ITFT; MS2; CE: 50%; R=15000; [M+H]+
HB000519
LC-ESI-ITFT; MS2; CE: 50%; R=7500; [M+H]+
HB002287
LC-ESI-ITFT; MS2; CE: 55%; R=15000; [M+H]+
HB000518
LC-ESI-ITFT; MS2; CE: 55%; R=15000; [M+H]+
HB000522
LC-ESI-ITFT; MS2; CE: 55%; R=7500; [M+H]+
HB002288
LC-ESI-ITFT; MS2; CE: 60%; R=15000; [M+H]+
HB000515
LC-ESI-ITFT; MS2; CE: 60%; R=15000; [M+H]+
HB000527
LC-ESI-ITFT; MS2; CE: 60%; R=7500; [M+H]+
HB002289
LC-ESI-ITFT; MS2; CE: 65%; R=15000; [M+H]+
HB000520
LC-ESI-ITFT; MS2; CE: 65%; R=15000; [M+H]+
HB000524
LC-ESI-ITFT; MS2; CE: 65%; R=7500; [M+H]+
HB002290
LC-ESI-ITFT; MS2; CE: 70%; R=15000; [M+H]+
HB000521
LC-ESI-ITFT; MS2; CE: 70%; R=15000; [M+H]+
HB000529
LC-ESI-ITFT; MS2; CE: 70%; R=7500; [M+H]+
HB002291
LC-ESI-ITFT; MS2; CE: 75%; R=15000; [M+H]+
HB000526
LC-ESI-ITFT; MS2; CE: 75%; R=15000; [M+H]+
HB000532
LC-ESI-ITFT; MS2; CE: 75%; R=7500; [M+H]+
HB002292
LC-ESI-ITFT; MS2; CE: 80%; R=15000; [M+H]+
HB000523
LC-ESI-ITFT; MS2; CE: 80%; R=15000; [M+H]+
HB000537
LC-ESI-ITFT; MS2; CE: 80%; R=7500; [M+H]+
HB002293
LC-ESI-ITFT; MS2; CE: 85%; R=15000; [M+H]+
HB000528
LC-ESI-ITFT; MS2; CE: 85%; R=15000; [M+H]+
HB000534
LC-ESI-ITFT; MS2; CE: 90%; R=15000; [M+H]+
HB000525
LC-ESI-ITFT; MS2; CE: 90%; R=15000; [M+H]+
HB000539
LC-ESI-ITFT; MS2; CE: 95%; R=15000; [M+H]+
HB000530
LC-ESI-ITFT; MS2; CE: 95%; R=15000; [M+H]+
HB000542
LC-ESI-QFT; MS2; CE: 10%; R=17500; [M+H]+
HB002051
LC-ESI-QFT; MS2; CE: 10%; R=30000; [M+H]+
HB001969
LC-ESI-QFT; MS2; CE: 15%; R=17500; [M+H]+
HB002052
LC-ESI-QFT; MS2; CE: 20%; R=17500; [M+H]+
HB002053
LC-ESI-QFT; MS2; CE: 20%; R=30000; [M+H]+
HB001970
LC-ESI-QFT; MS2; CE: 25%; R=17500; [M+H]+
HB002054
LC-ESI-QFT; MS2; CE: 30%; R=17500; [M+H]+
HB002055
LC-ESI-QFT; MS2; CE: 35%; R=17500; [M+H]+
HB002056
LC-ESI-QFT; MS2; CE: 40%; R=17500; [M+H]+
HB002057
LC-ESI-QFT; MS2; CE: 40%; R=30000; [M+H]+
HB001971
LC-ESI-QFT; MS2; CE: 45%; R=17500; [M+H]+
HB002058
LC-ESI-QFT; MS2; CE: 50%; R=17500; [M+H]+
HB002059
LC-ESI-QFT; MS2; CE: 55%; R=17500; [M+H]+
HB002060
LC-ESI-QFT; MS2; CE: 60%; R=17500; [M+H]+
HB002061
LC-ESI-QFT; MS2; CE: 65%; R=17500; [M+H]+
HB002062
LC-ESI-QFT; MS2; CE: 70%; R=17500; [M+H]+
HB002063
LC-ESI-QFT; MS2; CE: 75%; R=17500; [M+H]+
HB002064
LC-ESI-QFT; MS2; CE: 80%; R=17500; [M+H]+
HB002065
LC-ESI-QFT; MS2; CE: 80%; R=30000; [M+H]+
HB001972
LC-ESI-QFT; MS2; CE: CE15; R=17500; [M+H]+
HB002775
LC-ESI-QFT; MS2; CE: CE30; R=17500; [M+H]+
HB002776
LC-ESI-QFT; MS2; CE: CE45; R=17500; [M+H]+
HB002777
LC-ESI-QFT; MS2; CE: CE60; R=17500; [M+H]+
HB002778
LC-ESI-QFT; MS2; CE: CE75; R=17500; [M+H]+
HB002779
LC-ESI-QFT; MS2; CE: CE90; R=17500; [M+H]+
HB002780
LC-ESI-QTOF; MS2; CE: 10 eV; R=3600; [M+H]+
HB002489
LC-ESI-QTOF; MS2; CE: 15 eV; R=3600; [M+H]+
HB002490
LC-ESI-QTOF; MS2; CE: 20 eV; R=3600; [M+H]+
HB002491
LC-ESI-QTOF; MS2; CE: 25 eV; R=3600; [M+H]+
HB002492
LC-ESI-QTOF; MS2; CE: 30 eV; R=3600; [M+H]+
HB002493
LC-ESI-QTOF; MS2; CE: 35 eV; R=3600; [M+H]+
HB002494
LC-ESI-QTOF; MS2; CE: 40 eV; R=3600; [M+H]+
HB002495
LC-ESI-QTOF; MS2; CE: 45 eV; R=3600; [M+H]+
HB002496
LC-ESI-QTOF; MS2; CE: 5 eV; R=3600; [M+H]+
HB002498
LC-ESI-QTOF; MS2; CE: 50 eV; R=3600; [M+H]+
HB002497
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