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Instrument Type:
LC-ESI-ITFT
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13,814 Hit.
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Name
Formula / Structure
ExactMass
ID
Amitraz
14 spectra
C19H23N3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
293.18921
LC-ESI-ITFT; MS2; CE: 15%; R=15000; [M+H]+
EA010708
LC-ESI-ITFT; MS2; CE: 15%; R=7500; [M+H]+
EA010702
LC-ESI-ITFT; MS2; CE: 30%; R=15000; [M+H]+
EA010709
LC-ESI-ITFT; MS2; CE: 30%; R=7500; [M+H]+
EA010703
LC-ESI-ITFT; MS2; CE: 35%; R=30000; [M+H]+
EA010714
LC-ESI-ITFT; MS2; CE: 35%; R=7500; [M+H]+
EA010701
LC-ESI-ITFT; MS2; CE: 45%; R=15000; [M+H]+
EA010710
LC-ESI-ITFT; MS2; CE: 45%; R=7500; [M+H]+
EA010704
LC-ESI-ITFT; MS2; CE: 60%; R=15000; [M+H]+
EA010711
LC-ESI-ITFT; MS2; CE: 60%; R=7500; [M+H]+
EA010705
LC-ESI-ITFT; MS2; CE: 75%; R=15000; [M+H]+
EA010712
LC-ESI-ITFT; MS2; CE: 75%; R=7500; [M+H]+
EA010706
LC-ESI-ITFT; MS2; CE: 90%; R=30000; [M+H]+
EA010713
LC-ESI-ITFT; MS2; CE: 90%; R=7500; [M+H]+
EA010707
Amitriptyline
14 spectra
C20H23N
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
277.18301
LC-ESI-ITFT; MS2; CE: 15%; R=15000; [M+H]+
EA282108
LC-ESI-ITFT; MS2; CE: 15%; R=7500; [M+H]+
EA282102
LC-ESI-ITFT; MS2; CE: 30%; R=15000; [M+H]+
EA282109
LC-ESI-ITFT; MS2; CE: 30%; R=7500; [M+H]+
EA282103
LC-ESI-ITFT; MS2; CE: 35%; R=30000; [M+H]+
EA282114
LC-ESI-ITFT; MS2; CE: 35%; R=7500; [M+H]+
EA282101
LC-ESI-ITFT; MS2; CE: 45%; R=15000; [M+H]+
EA282110
LC-ESI-ITFT; MS2; CE: 45%; R=7500; [M+H]+
EA282104
LC-ESI-ITFT; MS2; CE: 60%; R=15000; [M+H]+
EA282111
LC-ESI-ITFT; MS2; CE: 60%; R=7500; [M+H]+
EA282105
LC-ESI-ITFT; MS2; CE: 75%; R=15000; [M+H]+
EA282112
LC-ESI-ITFT; MS2; CE: 75%; R=7500; [M+H]+
EA282106
LC-ESI-ITFT; MS2; CE: 90%; R=30000; [M+H]+
EA282113
LC-ESI-ITFT; MS2; CE: 90%; R=7500; [M+H]+
EA282107
Amphetamine
14 spectra
C9H13N
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
135.10480
LC-ESI-ITFT; MS2; CE: 15%; R=15000; [M+H]+
EA282208
LC-ESI-ITFT; MS2; CE: 15%; R=7500; [M+H]+
EA282202
LC-ESI-ITFT; MS2; CE: 30%; R=15000; [M+H]+
EA282209
LC-ESI-ITFT; MS2; CE: 30%; R=7500; [M+H]+
EA282203
LC-ESI-ITFT; MS2; CE: 35%; R=30000; [M+H]+
EA282214
LC-ESI-ITFT; MS2; CE: 35%; R=7500; [M+H]+
EA282201
LC-ESI-ITFT; MS2; CE: 45%; R=15000; [M+H]+
EA282210
LC-ESI-ITFT; MS2; CE: 45%; R=7500; [M+H]+
EA282204
LC-ESI-ITFT; MS2; CE: 60%; R=15000; [M+H]+
EA282211
LC-ESI-ITFT; MS2; CE: 60%; R=7500; [M+H]+
EA282205
LC-ESI-ITFT; MS2; CE: 75%; R=15000; [M+H]+
EA282212
LC-ESI-ITFT; MS2; CE: 75%; R=7500; [M+H]+
EA282206
LC-ESI-ITFT; MS2; CE: 90%; R=30000; [M+H]+
EA282213
LC-ESI-ITFT; MS2; CE: 90%; R=7500; [M+H]+
EA282207
Anabasine
55 spectra
C10H14N2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
162.11571
LC-ESI-ITFT; MS2; CE: 10%; R=15000; [M+H]+
NA000807
LC-ESI-ITFT; MS2; CE: 100%; R=15000; [M+H]+
NA001699
LC-ESI-ITFT; MS2; CE: 105%; R=15000; [M+H]+
NA001819
LC-ESI-ITFT; MS2; CE: 105%; R=15000; [M+H]+
NA001937
LC-ESI-ITFT; MS2; CE: 105%; R=15000; [M+H]+
NA002053
LC-ESI-ITFT; MS2; CE: 110%; R=15000; [M+H]+
NA001701
LC-ESI-ITFT; MS2; CE: 115%; R=15000; [M+H]+
NA001821
LC-ESI-ITFT; MS2; CE: 115%; R=15000; [M+H]+
NA001939
LC-ESI-ITFT; MS2; CE: 115%; R=15000; [M+H]+
NA002055
LC-ESI-ITFT; MS2; CE: 120%; R=15000; [M+H]+
NA001703
LC-ESI-ITFT; MS2; CE: 125%; R=15000; [M+H]+
NA001823
LC-ESI-ITFT; MS2; CE: 125%; R=15000; [M+H]+
NA001941
LC-ESI-ITFT; MS2; CE: 125%; R=15000; [M+H]+
NA002057
LC-ESI-ITFT; MS2; CE: 15%; R=15000; [M+H]+
NA000808
LC-ESI-ITFT; MS2; CE: 15%; R=15000; [M+H]+
NA000937
LC-ESI-ITFT; MS2; CE: 20%; R=15000; [M+H]+
NA000809
LC-ESI-ITFT; MS2; CE: 20%; R=15000; [M+H]+
NA000938
LC-ESI-ITFT; MS2; CE: 25%; R=15000; [M+H]+
NA000810
LC-ESI-ITFT; MS2; CE: 25%; R=15000; [M+H]+
NA000939
LC-ESI-ITFT; MS2; CE: 30%; R=15000; [M+H]+
NA000811
LC-ESI-ITFT; MS2; CE: 30%; R=15000; [M+H]+
NA000940
LC-ESI-ITFT; MS2; CE: 35%; R=15000; [M+H]+
NA000968
LC-ESI-ITFT; MS2; CE: 35%; R=15000; [M+H]+
NA001061
LC-ESI-ITFT; MS2; CE: 40%; R=15000; [M+H]+
NA001060
LC-ESI-ITFT; MS2; CE: 40%; R=15000; [M+H]+
NA001188
LC-ESI-ITFT; MS2; CE: 45%; R=15000; [M+H]+
NA001063
LC-ESI-ITFT; MS2; CE: 45%; R=15000; [M+H]+
NA001187
LC-ESI-ITFT; MS2; CE: 50%; R=15000; [M+H]+
NA001062
LC-ESI-ITFT; MS2; CE: 50%; R=15000; [M+H]+
NA001190
LC-ESI-ITFT; MS2; CE: 55%; R=15000; [M+H]+
NA001189
LC-ESI-ITFT; MS2; CE: 55%; R=15000; [M+H]+
NA001315
LC-ESI-ITFT; MS2; CE: 55%; R=15000; [M+H]+
NA001440
LC-ESI-ITFT; MS2; CE: 60%; R=15000; [M+H]+
NA001064
LC-ESI-ITFT; MS2; CE: 60%; R=15000; [M+H]+
NA001575
LC-ESI-ITFT; MS2; CE: 65%; R=15000; [M+H]+
NA001191
LC-ESI-ITFT; MS2; CE: 65%; R=15000; [M+H]+
NA001317
LC-ESI-ITFT; MS2; CE: 65%; R=15000; [M+H]+
NA001442
LC-ESI-ITFT; MS2; CE: 70%; R=15000; [M+H]+
NA001314
LC-ESI-ITFT; MS2; CE: 70%; R=15000; [M+H]+
NA001439
LC-ESI-ITFT; MS2; CE: 70%; R=15000; [M+H]+
NA001577
LC-ESI-ITFT; MS2; CE: 75%; R=15000; [M+H]+
NA001574
LC-ESI-ITFT; MS2; CE: 75%; R=15000; [M+H]+
NA001700
LC-ESI-ITFT; MS2; CE: 80%; R=15000; [M+H]+
NA001316
LC-ESI-ITFT; MS2; CE: 80%; R=15000; [M+H]+
NA001441
LC-ESI-ITFT; MS2; CE: 80%; R=15000; [M+H]+
NA001820
LC-ESI-ITFT; MS2; CE: 80%; R=15000; [M+H]+
NA001938
LC-ESI-ITFT; MS2; CE: 80%; R=15000; [M+H]+
NA002054
LC-ESI-ITFT; MS2; CE: 85%; R=15000; [M+H]+
NA001576
LC-ESI-ITFT; MS2; CE: 85%; R=15000; [M+H]+
NA001702
LC-ESI-ITFT; MS2; CE: 90%; R=15000; [M+H]+
NA001318
LC-ESI-ITFT; MS2; CE: 90%; R=15000; [M+H]+
NA001443
LC-ESI-ITFT; MS2; CE: 90%; R=15000; [M+H]+
NA001822
LC-ESI-ITFT; MS2; CE: 90%; R=15000; [M+H]+
NA001940
LC-ESI-ITFT; MS2; CE: 90%; R=15000; [M+H]+
NA002056
LC-ESI-ITFT; MS2; CE: 95%; R=15000; [M+H]+
NA001578
Andrastin C
4 spectra
C27H38O6
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
458.26685
LC-ESI-ITFT; MS2; CE: 20; R=17500; [M-H]-
AC000893
LC-ESI-ITFT; MS2; CE: 30; R=17500; [M-H]-
AC000894
LC-ESI-ITFT; MS2; CE: 40; R=17500; [M-H]-
AC000895
LC-ESI-ITFT; MS2; CE: 55; R=17500; [M-H]-
AC000896
Andrastin D
8 spectra
C26H36O5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
428.25629
LC-ESI-ITFT; MS2; CE: 10; R=17500; [M+H]+
AC000819
LC-ESI-ITFT; MS2; CE: 20; R=17500; [M+H]+
AC000820
LC-ESI-ITFT; MS2; CE: 30; R=17500; [M+H]+
AC000821
LC-ESI-ITFT; MS2; CE: 30; R=17500; [M-H]-
AC000824
LC-ESI-ITFT; MS2; CE: 40; R=17500; [M+H]+
AC000822
LC-ESI-ITFT; MS2; CE: 40; R=17500; [M-H]-
AC000825
LC-ESI-ITFT; MS2; CE: 55; R=17500; [M+H]+
AC000823
LC-ESI-ITFT; MS2; CE: 55; R=17500; [M-H]-
AC000826
Androsterone
2 spectra
C19H30O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
290.22461
LC-ESI-ITFT; MS2; CE: 35; R=15000; [M+H]+
UF416603
LC-ESI-ITFT; MS2; CE: 55; R=15000; [M+H]+
UF416604
Angustifoline
33 spectra
C14H22N2O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
234.17320
LC-ESI-ITFT; MS2; CE: 10%; R=15000; [M+H]+
NA000204
LC-ESI-ITFT; MS2; CE: 105%; R=15000; [M+H]+
NA000383
LC-ESI-ITFT; MS2; CE: 115%; R=15000; [M+H]+
NA000385
LC-ESI-ITFT; MS2; CE: 15%; R=15000; [M+H]+
NA000205
LC-ESI-ITFT; MS2; CE: 15%; R=15000; [M+H]+
NA000234
LC-ESI-ITFT; MS2; CE: 20%; R=15000; [M+H]+
NA000206
LC-ESI-ITFT; MS2; CE: 20%; R=15000; [M+H]+
NA000235
LC-ESI-ITFT; MS2; CE: 25%; R=15000; [M+H]+
NA000207
LC-ESI-ITFT; MS2; CE: 25%; R=15000; [M+H]+
NA000236
LC-ESI-ITFT; MS2; CE: 30%; R=15000; [M+H]+
NA000208
LC-ESI-ITFT; MS2; CE: 30%; R=15000; [M+H]+
NA000237
LC-ESI-ITFT; MS2; CE: 35%; R=15000; [M+H]+
NA000238
LC-ESI-ITFT; MS2; CE: 35%; R=15000; [M+H]+
NA000265
LC-ESI-ITFT; MS2; CE: 40%; R=15000; [M+H]+
NA000264
LC-ESI-ITFT; MS2; CE: 40%; R=15000; [M+H]+
NA000295
LC-ESI-ITFT; MS2; CE: 45%; R=15000; [M+H]+
NA000267
LC-ESI-ITFT; MS2; CE: 45%; R=15000; [M+H]+
NA000294
LC-ESI-ITFT; MS2; CE: 50%; R=15000; [M+H]+
NA000266
LC-ESI-ITFT; MS2; CE: 50%; R=15000; [M+H]+
NA000297
LC-ESI-ITFT; MS2; CE: 55%; R=15000; [M+H]+
NA000296
LC-ESI-ITFT; MS2; CE: 55%; R=15000; [M+H]+
NA000325
LC-ESI-ITFT; MS2; CE: 60%; R=15000; [M+H]+
NA000268
LC-ESI-ITFT; MS2; CE: 60%; R=15000; [M+H]+
NA000354
LC-ESI-ITFT; MS2; CE: 65%; R=15000; [M+H]+
NA000298
LC-ESI-ITFT; MS2; CE: 65%; R=15000; [M+H]+
NA000327
LC-ESI-ITFT; MS2; CE: 70%; R=15000; [M+H]+
NA000324
LC-ESI-ITFT; MS2; CE: 70%; R=15000; [M+H]+
NA000356
LC-ESI-ITFT; MS2; CE: 75%; R=15000; [M+H]+
NA000353
LC-ESI-ITFT; MS2; CE: 80%; R=15000; [M+H]+
NA000326
LC-ESI-ITFT; MS2; CE: 80%; R=15000; [M+H]+
NA000384
LC-ESI-ITFT; MS2; CE: 85%; R=15000; [M+H]+
NA000355
LC-ESI-ITFT; MS2; CE: 90%; R=15000; [M+H]+
NA000386
LC-ESI-ITFT; MS2; CE: 95%; R=15000; [M+H]+
NA000357
Anthranilic acid
8 spectra
C7H7NO2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
137.04768
LC-ESI-ITFT; MS2; m/z:120.04; POS
KNA00058
LC-ESI-ITFT; MS2; m/z:120.04; POS
KNA00436
LC-ESI-ITFT; MS2; m/z:138.05; POS
KNA00059
LC-ESI-ITFT; MS2; m/z:138.06; POS
KNA00437
LC-ESI-ITFT; MS2; m/z:139.06; POS
KNA00060
LC-ESI-ITFT; MS2; m/z:139.06; POS
KNA00438
LC-ESI-ITFT; MS; POS
KNA00057
LC-ESI-ITFT; MS; POS
KNA00435
Antipyrine
14 spectra
C11H12N2O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
188.09500
LC-ESI-ITFT; MS2; CE: 15%; R=15000; [M+H]+
EA033808
LC-ESI-ITFT; MS2; CE: 15%; R=7500; [M+H]+
EA033802
LC-ESI-ITFT; MS2; CE: 30%; R=15000; [M+H]+
EA033809
LC-ESI-ITFT; MS2; CE: 30%; R=7500; [M+H]+
EA033803
LC-ESI-ITFT; MS2; CE: 35%; R=30000; [M+H]+
EA033814
LC-ESI-ITFT; MS2; CE: 35%; R=7500; [M+H]+
EA033801
LC-ESI-ITFT; MS2; CE: 45%; R=15000; [M+H]+
EA033810
LC-ESI-ITFT; MS2; CE: 45%; R=7500; [M+H]+
EA033804
LC-ESI-ITFT; MS2; CE: 60%; R=15000; [M+H]+
EA033811
LC-ESI-ITFT; MS2; CE: 60%; R=7500; [M+H]+
EA033805
LC-ESI-ITFT; MS2; CE: 75%; R=15000; [M+H]+
EA033812
LC-ESI-ITFT; MS2; CE: 75%; R=7500; [M+H]+
EA033806
LC-ESI-ITFT; MS2; CE: 90%; R=30000; [M+H]+
EA033813
LC-ESI-ITFT; MS2; CE: 90%; R=7500; [M+H]+
EA033807
Apomorphine
5 spectra
C17H17NO2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
267.12592
LC-ESI-ITFT; MS2; CE 35 eV; [M+H]+
CE000031
LC-ESI-ITFT; MS2; CE 45 eV; [M+H]+
CE000032
LC-ESI-ITFT; MS2; CE 55 eV; [M+H]+
CE000033
LC-ESI-ITFT; MS2; CE 70 eV; [M+H]+
CE000034
LC-ESI-ITFT; MS; [M+H]+; isotope pattern
CE000035
Arginine
15 spectra
C6H14N4O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
174.11168
LC-ESI-ITFT; MS2; CE 10.0 eV; [M+H]+
CE000276
LC-ESI-ITFT; MS2; CE 15.0 eV; [M+H]+
CE000262
LC-ESI-ITFT; MS2; CE 20.0 eV; [M+H]+
CE000265
LC-ESI-ITFT; MS2; CE 25.0 eV; [M+H]+
CE000263
LC-ESI-ITFT; MS2; CE 30.0 eV; [M+H]+
CE000272
LC-ESI-ITFT; MS2; CE 35.0 eV; [M+H]+
CE000266
LC-ESI-ITFT; MS2; CE 40.0 eV; [M+H]+
CE000267
LC-ESI-ITFT; MS2; CE 45.0 eV; [M+H]+
CE000274
LC-ESI-ITFT; MS2; CE 5.0 eV; [M+H]+
CE000271
LC-ESI-ITFT; MS2; CE 55.0 eV; [M+H]+
CE000273
LC-ESI-ITFT; MS2; CE 60.0 eV; [M+H]+
CE000269
LC-ESI-ITFT; MS2; CE 65.0 eV; [M+H]+
CE000268
LC-ESI-ITFT; MS2; CE 70.0 eV; [M+H]+
CE000275
LC-ESI-ITFT; MS2; CE 75.0 eV; [M+H]+
CE000264
LC-ESI-ITFT; MS2; CE 80.0 eV; [M+H]+
CE000270
Artemisinin
53 spectra
C15H22O5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
282.14670
LC-ESI-ITFT; MS2; CE: 100%; R=15000; [M+H]+
NA001704
LC-ESI-ITFT; MS2; CE: 105%; R=15000; [M+H]+
NA001824
LC-ESI-ITFT; MS2; CE: 105%; R=15000; [M+H]+
NA001942
LC-ESI-ITFT; MS2; CE: 105%; R=15000; [M+H]+
NA002058
LC-ESI-ITFT; MS2; CE: 110%; R=15000; [M+H]+
NA001706
LC-ESI-ITFT; MS2; CE: 115%; R=15000; [M+H]+
NA001826
LC-ESI-ITFT; MS2; CE: 115%; R=15000; [M+H]+
NA001944
LC-ESI-ITFT; MS2; CE: 115%; R=15000; [M+H]+
NA002060
LC-ESI-ITFT; MS2; CE: 120%; R=15000; [M+H]+
NA001708
LC-ESI-ITFT; MS2; CE: 125%; R=15000; [M+H]+
NA001828
LC-ESI-ITFT; MS2; CE: 125%; R=15000; [M+H]+
NA001946
LC-ESI-ITFT; MS2; CE: 125%; R=15000; [M+H]+
NA002062
LC-ESI-ITFT; MS2; CE: 15%; R=15000; [M+H]+
NA000812
LC-ESI-ITFT; MS2; CE: 20%; R=15000; [M+H]+
NA000813
LC-ESI-ITFT; MS2; CE: 20%; R=15000; [M+H]+
NA000969
LC-ESI-ITFT; MS2; CE: 25%; R=15000; [M+H]+
NA000814
LC-ESI-ITFT; MS2; CE: 25%; R=15000; [M+H]+
NA000970
LC-ESI-ITFT; MS2; CE: 30%; R=15000; [M+H]+
NA000815
LC-ESI-ITFT; MS2; CE: 30%; R=15000; [M+H]+
NA000971
LC-ESI-ITFT; MS2; CE: 35%; R=15000; [M+H]+
NA000972
LC-ESI-ITFT; MS2; CE: 35%; R=15000; [M+H]+
NA001066
LC-ESI-ITFT; MS2; CE: 40%; R=15000; [M+H]+
NA001065
LC-ESI-ITFT; MS2; CE: 40%; R=15000; [M+H]+
NA001193
LC-ESI-ITFT; MS2; CE: 45%; R=15000; [M+H]+
NA001068
LC-ESI-ITFT; MS2; CE: 45%; R=15000; [M+H]+
NA001192
LC-ESI-ITFT; MS2; CE: 50%; R=15000; [M+H]+
NA001067
LC-ESI-ITFT; MS2; CE: 50%; R=15000; [M+H]+
NA001195
LC-ESI-ITFT; MS2; CE: 55%; R=15000; [M+H]+
NA001194
LC-ESI-ITFT; MS2; CE: 55%; R=15000; [M+H]+
NA001320
LC-ESI-ITFT; MS2; CE: 55%; R=15000; [M+H]+
NA001445
LC-ESI-ITFT; MS2; CE: 60%; R=15000; [M+H]+
NA001069
LC-ESI-ITFT; MS2; CE: 60%; R=15000; [M+H]+
NA001580
LC-ESI-ITFT; MS2; CE: 65%; R=15000; [M+H]+
NA001196
LC-ESI-ITFT; MS2; CE: 65%; R=15000; [M+H]+
NA001322
LC-ESI-ITFT; MS2; CE: 65%; R=15000; [M+H]+
NA001447
LC-ESI-ITFT; MS2; CE: 70%; R=15000; [M+H]+
NA001319
LC-ESI-ITFT; MS2; CE: 70%; R=15000; [M+H]+
NA001444
LC-ESI-ITFT; MS2; CE: 70%; R=15000; [M+H]+
NA001582
LC-ESI-ITFT; MS2; CE: 75%; R=15000; [M+H]+
NA001579
LC-ESI-ITFT; MS2; CE: 75%; R=15000; [M+H]+
NA001705
LC-ESI-ITFT; MS2; CE: 80%; R=15000; [M+H]+
NA001321
LC-ESI-ITFT; MS2; CE: 80%; R=15000; [M+H]+
NA001446
LC-ESI-ITFT; MS2; CE: 80%; R=15000; [M+H]+
NA001825
LC-ESI-ITFT; MS2; CE: 80%; R=15000; [M+H]+
NA001943
LC-ESI-ITFT; MS2; CE: 80%; R=15000; [M+H]+
NA002059
LC-ESI-ITFT; MS2; CE: 85%; R=15000; [M+H]+
NA001581
LC-ESI-ITFT; MS2; CE: 85%; R=15000; [M+H]+
NA001707
LC-ESI-ITFT; MS2; CE: 90%; R=15000; [M+H]+
NA001323
LC-ESI-ITFT; MS2; CE: 90%; R=15000; [M+H]+
NA001448
LC-ESI-ITFT; MS2; CE: 90%; R=15000; [M+H]+
NA001827
LC-ESI-ITFT; MS2; CE: 90%; R=15000; [M+H]+
NA001945
LC-ESI-ITFT; MS2; CE: 90%; R=15000; [M+H]+
NA002061
LC-ESI-ITFT; MS2; CE: 95%; R=15000; [M+H]+
NA001583
Aspartame
27 spectra
C14H18N2O5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
294.12161
LC-ESI-ITFT; MS2; CE: 15%; R=15000; [M+H]+
EA277008
LC-ESI-ITFT; MS2; CE: 15%; R=15000; [M-H]-
EA277058
LC-ESI-ITFT; MS2; CE: 15%; R=7500; [M+H]+
EA277002
LC-ESI-ITFT; MS2; CE: 15%; R=7500; [M-H]-
EA277052
LC-ESI-ITFT; MS2; CE: 30%; R=15000; [M+H]+
EA277009
LC-ESI-ITFT; MS2; CE: 30%; R=15000; [M-H]-
EA277059
LC-ESI-ITFT; MS2; CE: 30%; R=7500; [M+H]+
EA277003
LC-ESI-ITFT; MS2; CE: 30%; R=7500; [M-H]-
EA277053
LC-ESI-ITFT; MS2; CE: 35%; R=30000; [M+H]+
EA277014
LC-ESI-ITFT; MS2; CE: 35%; R=30000; [M-H]-
EA277064
LC-ESI-ITFT; MS2; CE: 35%; R=7500; [M+H]+
EA277001
LC-ESI-ITFT; MS2; CE: 35%; R=7500; [M-H]-
EA277051
LC-ESI-ITFT; MS2; CE: 45%; R=15000; [M+H]+
EA277010
LC-ESI-ITFT; MS2; CE: 45%; R=15000; [M-H]-
EA277060
LC-ESI-ITFT; MS2; CE: 45%; R=7500; [M+H]+
EA277004
LC-ESI-ITFT; MS2; CE: 45%; R=7500; [M-H]-
EA277054
LC-ESI-ITFT; MS2; CE: 60%; R=15000; [M+H]+
EA277011
LC-ESI-ITFT; MS2; CE: 60%; R=15000; [M-H]-
EA277061
LC-ESI-ITFT; MS2; CE: 60%; R=7500; [M+H]+
EA277005
LC-ESI-ITFT; MS2; CE: 60%; R=7500; [M-H]-
EA277055
LC-ESI-ITFT; MS2; CE: 75%; R=15000; [M+H]+
EA277012
LC-ESI-ITFT; MS2; CE: 75%; R=15000; [M-H]-
EA277062
LC-ESI-ITFT; MS2; CE: 75%; R=7500; [M+H]+
EA277006
LC-ESI-ITFT; MS2; CE: 75%; R=7500; [M-H]-
EA277056
LC-ESI-ITFT; MS2; CE: 90%; R=30000; [M+H]+
EA277013
LC-ESI-ITFT; MS2; CE: 90%; R=7500; [M+H]+
EA277007
LC-ESI-ITFT; MS2; CE: 90%; R=7500; [M-H]-
EA277057
Aspartate
18 spectra
C4H7NO4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
133.03751
LC-ESI-ITFT; MS2; CE 10.0 eV; [M-H]-
CE000470
LC-ESI-ITFT; MS2; CE 15.0 eV; [M-H]-
CE000453
LC-ESI-ITFT; MS2; CE 20.0 eV; [M-H]-
CE000457
LC-ESI-ITFT; MS2; CE 25.0 eV; [M-H]-
CE000455
LC-ESI-ITFT; MS2; CE 30.0 eV; [M-H]-
CE000465
LC-ESI-ITFT; MS2; CE 35.0 eV; [M-H]-
CE000458
LC-ESI-ITFT; MS2; CE 40.0 eV; [M-H]-
CE000459
LC-ESI-ITFT; MS2; CE 45.0 eV; [M-H]-
CE000467
LC-ESI-ITFT; MS2; CE 5.0 eV; [M-H]-
CE000464
LC-ESI-ITFT; MS2; CE 50.0 eV; [M-H]-
CE000460
LC-ESI-ITFT; MS2; CE 55.0 eV; [M-H]-
CE000466
LC-ESI-ITFT; MS2; CE 60.0 eV; [M-H]-
CE000462
LC-ESI-ITFT; MS2; CE 65.0 eV; [M-H]-
CE000461
LC-ESI-ITFT; MS2; CE 70.0 eV; [M-H]-
CE000469
LC-ESI-ITFT; MS2; CE 75.0 eV; [M-H]-
CE000456
LC-ESI-ITFT; MS2; CE 80.0 eV; [M-H]-
CE000463
LC-ESI-ITFT; MS2; CE 85.0 eV; [M-H]-
CE000468
LC-ESI-ITFT; MS2; CE 90.0 eV; [M-H]-
CE000454
Asulam
24 spectra
C8H10N2O4S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
230.03560
LC-ESI-ITFT; MS2; CE: 15%; R=15000; [M+H]+
EA015608
LC-ESI-ITFT; MS2; CE: 15%; R=15000; [M-H]-
EA015658
LC-ESI-ITFT; MS2; CE: 15%; R=7500; [M+H]+
EA015602
LC-ESI-ITFT; MS2; CE: 15%; R=7500; [M-H]-
EA015652
LC-ESI-ITFT; MS2; CE: 30%; R=15000; [M+H]+
EA015609
LC-ESI-ITFT; MS2; CE: 30%; R=15000; [M-H]-
EA015659
LC-ESI-ITFT; MS2; CE: 30%; R=7500; [M+H]+
EA015603
LC-ESI-ITFT; MS2; CE: 30%; R=7500; [M-H]-
EA015653
LC-ESI-ITFT; MS2; CE: 35%; R=30000; [M+H]+
EA015614
LC-ESI-ITFT; MS2; CE: 35%; R=30000; [M-H]-
EA015664
LC-ESI-ITFT; MS2; CE: 35%; R=7500; [M+H]+
EA015601
LC-ESI-ITFT; MS2; CE: 35%; R=7500; [M-H]-
EA015651
LC-ESI-ITFT; MS2; CE: 45%; R=15000; [M+H]+
EA015610
LC-ESI-ITFT; MS2; CE: 45%; R=15000; [M-H]-
EA015660
LC-ESI-ITFT; MS2; CE: 45%; R=7500; [M+H]+
EA015604
LC-ESI-ITFT; MS2; CE: 45%; R=7500; [M-H]-
EA015654
LC-ESI-ITFT; MS2; CE: 60%; R=15000; [M+H]+
EA015611
LC-ESI-ITFT; MS2; CE: 60%; R=15000; [M-H]-
EA015661
LC-ESI-ITFT; MS2; CE: 60%; R=7500; [M+H]+
EA015605
LC-ESI-ITFT; MS2; CE: 60%; R=7500; [M-H]-
EA015655
LC-ESI-ITFT; MS2; CE: 75%; R=15000; [M+H]+
EA015612
LC-ESI-ITFT; MS2; CE: 75%; R=7500; [M+H]+
EA015606
LC-ESI-ITFT; MS2; CE: 90%; R=30000; [M+H]+
EA015613
LC-ESI-ITFT; MS2; CE: 90%; R=7500; [M+H]+
EA015607
Atenolol
18 spectra
C14H22N2O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
266.16299
LC-ESI-ITFT; MS2; CE: 15%; R=15000; [M+H]+
EA016908
LC-ESI-ITFT; MS2; CE: 15%; R=7500; [M+H]+
EA016902
LC-ESI-ITFT; MS2; CE: 30%; R=15000; [M+H]+
EA016909
LC-ESI-ITFT; MS2; CE: 30%; R=7500; [M+H]+
EA016903
LC-ESI-ITFT; MS2; CE: 35%; R=30000; [M+H]+
EA016914
LC-ESI-ITFT; MS2; CE: 35%; R=7500; [M+H]+
EA016901
LC-ESI-ITFT; MS2; CE: 35; R=15000; [M+H]+
UF407603
LC-ESI-ITFT; MS2; CE: 45%; R=15000; [M+H]+
EA016910
LC-ESI-ITFT; MS2; CE: 45%; R=7500; [M+H]+
EA016904
LC-ESI-ITFT; MS2; CE: 55; R=15000; [M+H]+
UF407601
LC-ESI-ITFT; MS2; CE: 55; R=15000; [M+H]+
UF407604
LC-ESI-ITFT; MS2; CE: 60%; R=15000; [M+H]+
EA016911
LC-ESI-ITFT; MS2; CE: 60%; R=7500; [M+H]+
EA016905
LC-ESI-ITFT; MS2; CE: 75%; R=15000; [M+H]+
EA016912
LC-ESI-ITFT; MS2; CE: 75%; R=7500; [M+H]+
EA016906
LC-ESI-ITFT; MS2; CE: 80; R=15000; [M+H]+
UF407602
LC-ESI-ITFT; MS2; CE: 90%; R=30000; [M+H]+
EA016913
LC-ESI-ITFT; MS2; CE: 90%; R=7500; [M+H]+
EA016907
Atenolol acid
16 spectra
C14H21NO4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
267.14709
LC-ESI-ITFT; MS2; CE: 15%; R=15000; [M+H]+
EA069708
LC-ESI-ITFT; MS2; CE: 15%; R=7500; [M+H]+
EA069702
LC-ESI-ITFT; MS2; CE: 30%; R=15000; [M+H]+
EA069709
LC-ESI-ITFT; MS2; CE: 30%; R=7500; [M+H]+
EA069703
LC-ESI-ITFT; MS2; CE: 30%; R=7500; [M-H]-
EA069753
LC-ESI-ITFT; MS2; CE: 35%; R=30000; [M+H]+
EA069714
LC-ESI-ITFT; MS2; CE: 35%; R=7500; [M+H]+
EA069701
LC-ESI-ITFT; MS2; CE: 35%; R=7500; [M-H]-
EA069751
LC-ESI-ITFT; MS2; CE: 45%; R=15000; [M+H]+
EA069710
LC-ESI-ITFT; MS2; CE: 45%; R=7500; [M+H]+
EA069704
LC-ESI-ITFT; MS2; CE: 60%; R=15000; [M+H]+
EA069711
LC-ESI-ITFT; MS2; CE: 60%; R=7500; [M+H]+
EA069705
LC-ESI-ITFT; MS2; CE: 75%; R=15000; [M+H]+
EA069712
LC-ESI-ITFT; MS2; CE: 75%; R=7500; [M+H]+
EA069706
LC-ESI-ITFT; MS2; CE: 90%; R=30000; [M+H]+
EA069713
LC-ESI-ITFT; MS2; CE: 90%; R=7500; [M+H]+
EA069707
Atenolol-desisopropyl
14 spectra
C11H16N2O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
224.11610
LC-ESI-ITFT; MS2; CE: 15%; R=15000; [M+H]+
EA267008
LC-ESI-ITFT; MS2; CE: 15%; R=7500; [M+H]+
EA267002
LC-ESI-ITFT; MS2; CE: 30%; R=15000; [M+H]+
EA267009
LC-ESI-ITFT; MS2; CE: 30%; R=7500; [M+H]+
EA267003
LC-ESI-ITFT; MS2; CE: 35%; R=30000; [M+H]+
EA267014
LC-ESI-ITFT; MS2; CE: 35%; R=7500; [M+H]+
EA267001
LC-ESI-ITFT; MS2; CE: 45%; R=15000; [M+H]+
EA267010
LC-ESI-ITFT; MS2; CE: 45%; R=7500; [M+H]+
EA267004
LC-ESI-ITFT; MS2; CE: 60%; R=15000; [M+H]+
EA267011
LC-ESI-ITFT; MS2; CE: 60%; R=7500; [M+H]+
EA267005
LC-ESI-ITFT; MS2; CE: 75%; R=15000; [M+H]+
EA267012
LC-ESI-ITFT; MS2; CE: 75%; R=7500; [M+H]+
EA267006
LC-ESI-ITFT; MS2; CE: 90%; R=30000; [M+H]+
EA267013
LC-ESI-ITFT; MS2; CE: 90%; R=7500; [M+H]+
EA267007
Atomoxetine
14 spectra
C17H21NO
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
255.16229
LC-ESI-ITFT; MS2; CE: 15%; R=15000; [M+H]+
EA284608
LC-ESI-ITFT; MS2; CE: 15%; R=7500; [M+H]+
EA284602
LC-ESI-ITFT; MS2; CE: 30%; R=15000; [M+H]+
EA284609
LC-ESI-ITFT; MS2; CE: 30%; R=7500; [M+H]+
EA284603
LC-ESI-ITFT; MS2; CE: 35%; R=30000; [M+H]+
EA284614
LC-ESI-ITFT; MS2; CE: 35%; R=7500; [M+H]+
EA284601
LC-ESI-ITFT; MS2; CE: 45%; R=15000; [M+H]+
EA284610
LC-ESI-ITFT; MS2; CE: 45%; R=7500; [M+H]+
EA284604
LC-ESI-ITFT; MS2; CE: 60%; R=15000; [M+H]+
EA284611
LC-ESI-ITFT; MS2; CE: 60%; R=7500; [M+H]+
EA284605
LC-ESI-ITFT; MS2; CE: 75%; R=15000; [M+H]+
EA284612
LC-ESI-ITFT; MS2; CE: 75%; R=7500; [M+H]+
EA284606
LC-ESI-ITFT; MS2; CE: 90%; R=30000; [M+H]+
EA284613
LC-ESI-ITFT; MS2; CE: 90%; R=7500; [M+H]+
EA284607
Atorvastatin
28 spectra
C33H35FN2O5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
558.25299
LC-ESI-ITFT; MS2; CE: 15%; R=15000; [M+H]+
EA281008
LC-ESI-ITFT; MS2; CE: 15%; R=15000; [M-H]-
EA281058
LC-ESI-ITFT; MS2; CE: 15%; R=7500; [M+H]+
EA281002
LC-ESI-ITFT; MS2; CE: 15%; R=7500; [M-H]-
EA281052
LC-ESI-ITFT; MS2; CE: 30%; R=15000; [M+H]+
EA281009
LC-ESI-ITFT; MS2; CE: 30%; R=15000; [M-H]-
EA281059
LC-ESI-ITFT; MS2; CE: 30%; R=7500; [M+H]+
EA281003
LC-ESI-ITFT; MS2; CE: 30%; R=7500; [M-H]-
EA281053
LC-ESI-ITFT; MS2; CE: 35%; R=30000; [M+H]+
EA281014
LC-ESI-ITFT; MS2; CE: 35%; R=30000; [M-H]-
EA281064
LC-ESI-ITFT; MS2; CE: 35%; R=7500; [M+H]+
EA281001
LC-ESI-ITFT; MS2; CE: 35%; R=7500; [M-H]-
EA281051
LC-ESI-ITFT; MS2; CE: 45%; R=15000; [M+H]+
EA281010
LC-ESI-ITFT; MS2; CE: 45%; R=15000; [M-H]-
EA281060
LC-ESI-ITFT; MS2; CE: 45%; R=7500; [M+H]+
EA281004
LC-ESI-ITFT; MS2; CE: 45%; R=7500; [M-H]-
EA281054
LC-ESI-ITFT; MS2; CE: 60%; R=15000; [M+H]+
EA281011
LC-ESI-ITFT; MS2; CE: 60%; R=15000; [M-H]-
EA281061
LC-ESI-ITFT; MS2; CE: 60%; R=7500; [M+H]+
EA281005
LC-ESI-ITFT; MS2; CE: 60%; R=7500; [M-H]-
EA281055
LC-ESI-ITFT; MS2; CE: 75%; R=15000; [M+H]+
EA281012
LC-ESI-ITFT; MS2; CE: 75%; R=15000; [M-H]-
EA281062
LC-ESI-ITFT; MS2; CE: 75%; R=7500; [M+H]+
EA281006
LC-ESI-ITFT; MS2; CE: 75%; R=7500; [M-H]-
EA281056
LC-ESI-ITFT; MS2; CE: 90%; R=30000; [M+H]+
EA281013
LC-ESI-ITFT; MS2; CE: 90%; R=30000; [M-H]-
EA281063
LC-ESI-ITFT; MS2; CE: 90%; R=7500; [M+H]+
EA281007
LC-ESI-ITFT; MS2; CE: 90%; R=7500; [M-H]-
EA281057
Atranone B
5 spectra
C25H34O7
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
446.23044
LC-ESI-ITFT; MS2; CE: 10; R=17500; [M+H]+
AC000916
LC-ESI-ITFT; MS2; CE: 20; R=17500; [M+H]+
AC000917
LC-ESI-ITFT; MS2; CE: 30; R=17500; [M+H]+
AC000918
LC-ESI-ITFT; MS2; CE: 35; R=17500; [M+H]+
AC000919
LC-ESI-ITFT; MS2; CE: 50; R=17500; [M+H]+
AC000920
Atraton
14 spectra
C9H17N5O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
211.14281
LC-ESI-ITFT; MS2; CE: 15%; R=15000; [M+H]+
EA015708
LC-ESI-ITFT; MS2; CE: 15%; R=7500; [M+H]+
EA015702
LC-ESI-ITFT; MS2; CE: 30%; R=15000; [M+H]+
EA015709
LC-ESI-ITFT; MS2; CE: 30%; R=7500; [M+H]+
EA015703
LC-ESI-ITFT; MS2; CE: 35%; R=30000; [M+H]+
EA015714
LC-ESI-ITFT; MS2; CE: 35%; R=7500; [M+H]+
EA015701
LC-ESI-ITFT; MS2; CE: 45%; R=15000; [M+H]+
EA015710
LC-ESI-ITFT; MS2; CE: 45%; R=7500; [M+H]+
EA015704
LC-ESI-ITFT; MS2; CE: 60%; R=15000; [M+H]+
EA015711
LC-ESI-ITFT; MS2; CE: 60%; R=7500; [M+H]+
EA015705
LC-ESI-ITFT; MS2; CE: 75%; R=15000; [M+H]+
EA015712
LC-ESI-ITFT; MS2; CE: 75%; R=7500; [M+H]+
EA015706
LC-ESI-ITFT; MS2; CE: 90%; R=30000; [M+H]+
EA015713
LC-ESI-ITFT; MS2; CE: 90%; R=7500; [M+H]+
EA015707
Atrazine
18 spectra
C8H14ClN5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
215.09320
LC-ESI-ITFT; MS2; CE: 15%; R=15000; [M+H]+
EA028808
LC-ESI-ITFT; MS2; CE: 15%; R=7500; [M+H]+
EA028802
LC-ESI-ITFT; MS2; CE: 30%; R=15000; [M+H]+
EA028809
LC-ESI-ITFT; MS2; CE: 30%; R=7500; [M+H]+
EA028803
LC-ESI-ITFT; MS2; CE: 35%; R=30000; [M+H]+
EA028814
LC-ESI-ITFT; MS2; CE: 35%; R=7500; [M+H]+
EA028801
LC-ESI-ITFT; MS2; CE: 35; R=15000; [M+H]+
UF403303
LC-ESI-ITFT; MS2; CE: 45%; R=15000; [M+H]+
EA028810
LC-ESI-ITFT; MS2; CE: 45%; R=7500; [M+H]+
EA028804
LC-ESI-ITFT; MS2; CE: 55; R=15000; [M+H]+
UF403301
LC-ESI-ITFT; MS2; CE: 55; R=15000; [M+H]+
UF403304
LC-ESI-ITFT; MS2; CE: 60%; R=15000; [M+H]+
EA028811
LC-ESI-ITFT; MS2; CE: 60%; R=7500; [M+H]+
EA028805
LC-ESI-ITFT; MS2; CE: 75%; R=15000; [M+H]+
EA028812
LC-ESI-ITFT; MS2; CE: 75%; R=7500; [M+H]+
EA028806
LC-ESI-ITFT; MS2; CE: 80; R=15000; [M+H]+
UF403302
LC-ESI-ITFT; MS2; CE: 90%; R=30000; [M+H]+
EA028813
LC-ESI-ITFT; MS2; CE: 90%; R=7500; [M+H]+
EA028807
Atrazine-2-hydroxy
25 spectra
C8H15N5O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
197.12770
LC-ESI-ITFT; MS2; CE: 15%; R=15000; [M+H]+
EA027908
LC-ESI-ITFT; MS2; CE: 15%; R=15000; [M-H]-
EA027958
LC-ESI-ITFT; MS2; CE: 15%; R=7500; [M+H]+
EA027902
LC-ESI-ITFT; MS2; CE: 15%; R=7500; [M-H]-
EA027952
LC-ESI-ITFT; MS2; CE: 30%; R=15000; [M+H]+
EA027909
LC-ESI-ITFT; MS2; CE: 30%; R=15000; [M-H]-
EA027959
LC-ESI-ITFT; MS2; CE: 30%; R=7500; [M+H]+
EA027903
LC-ESI-ITFT; MS2; CE: 30%; R=7500; [M-H]-
EA027953
LC-ESI-ITFT; MS2; CE: 35%; R=30000; [M+H]+
EA027914
LC-ESI-ITFT; MS2; CE: 35%; R=7500; [M+H]+
EA027901
LC-ESI-ITFT; MS2; CE: 35%; R=7500; [M-H]-
EA027951
LC-ESI-ITFT; MS2; CE: 45%; R=15000; [M+H]+
EA027910
LC-ESI-ITFT; MS2; CE: 45%; R=15000; [M-H]-
EA027960
LC-ESI-ITFT; MS2; CE: 45%; R=7500; [M+H]+
EA027904
LC-ESI-ITFT; MS2; CE: 45%; R=7500; [M-H]-
EA027954
LC-ESI-ITFT; MS2; CE: 60%; R=15000; [M+H]+
EA027911
LC-ESI-ITFT; MS2; CE: 60%; R=7500; [M+H]+
EA027905
LC-ESI-ITFT; MS2; CE: 60%; R=7500; [M-H]-
EA027955
LC-ESI-ITFT; MS2; CE: 75%; R=15000; [M+H]+
EA027912
LC-ESI-ITFT; MS2; CE: 75%; R=7500; [M+H]+
EA027906
LC-ESI-ITFT; MS2; CE: 75%; R=7500; [M-H]-
EA027956
LC-ESI-ITFT; MS2; CE: 90%; R=15000; [M-H]-
EA027963
LC-ESI-ITFT; MS2; CE: 90%; R=30000; [M+H]+
EA027913
LC-ESI-ITFT; MS2; CE: 90%; R=7500; [M+H]+
EA027907
LC-ESI-ITFT; MS2; CE: 90%; R=7500; [M-H]-
EA027957
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MassBank | Copyright Line
Copyright © since 2006 MassBank Project
Copyright © since 2011
NORMAN Association
Copyright © since 2017
MassBank Consortium
Responsible: Dr. Tobias Schulze
(tobias.schulze@ufz.de)