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Name
Formula / Structure
ExactMass
ID
Dihydroergotamine
5 spectra
C33H37N5O5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
583.27948
LC-ESI-QTOF; MS2; CE:10 eV; [M+H]+
MSBNK-Univ_Connecticut-CO000126
LC-ESI-QTOF; MS2; CE:20 eV; [M+H]+
MSBNK-Univ_Connecticut-CO000127
LC-ESI-QTOF; MS2; CE:30 eV; [M+H]+
MSBNK-Univ_Connecticut-CO000128
LC-ESI-QTOF; MS2; CE:40 eV; [M+H]+
MSBNK-Univ_Connecticut-CO000129
LC-ESI-QTOF; MS2; CE:50 eV; [M+H]+
MSBNK-Univ_Connecticut-CO000130
Dimefline
5 spectra
C20H21NO3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
323.15213
LC-ESI-QTOF; MS2; CE:10 eV; [M+H]+
MSBNK-Univ_Connecticut-CO000131
LC-ESI-QTOF; MS2; CE:20 eV; [M+H]+
MSBNK-Univ_Connecticut-CO000132
LC-ESI-QTOF; MS2; CE:30 eV; [M+H]+
MSBNK-Univ_Connecticut-CO000133
LC-ESI-QTOF; MS2; CE:40 eV; [M+H]+
MSBNK-Univ_Connecticut-CO000134
LC-ESI-QTOF; MS2; CE:50 eV; [M+H]+
MSBNK-Univ_Connecticut-CO000135
Diphenoxylate
5 spectra
C30H32N2O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
452.24637
LC-ESI-QTOF; MS2; CE:10 eV; [M+H]+
MSBNK-Univ_Connecticut-CO000136
LC-ESI-QTOF; MS2; CE:20 eV; [M+H]+
MSBNK-Univ_Connecticut-CO000137
LC-ESI-QTOF; MS2; CE:30 eV; [M+H]+
MSBNK-Univ_Connecticut-CO000138
LC-ESI-QTOF; MS2; CE:40 eV; [M+H]+
MSBNK-Univ_Connecticut-CO000139
LC-ESI-QTOF; MS2; CE:50 eV; [M+H]+
MSBNK-Univ_Connecticut-CO000140
Dobutamine
5 spectra
C18H23NO3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
301.16779
LC-ESI-QTOF; MS2; CE:10 eV; [M+H]+
MSBNK-Univ_Connecticut-CO000141
LC-ESI-QTOF; MS2; CE:20 eV; [M+H]+
MSBNK-Univ_Connecticut-CO000142
LC-ESI-QTOF; MS2; CE:30 eV; [M+H]+
MSBNK-Univ_Connecticut-CO000143
LC-ESI-QTOF; MS2; CE:40 eV; [M+H]+
MSBNK-Univ_Connecticut-CO000144
LC-ESI-QTOF; MS2; CE:50 eV; [M+H]+
MSBNK-Univ_Connecticut-CO000145
Doxorubicin
5 spectra
C27H29NO11
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
543.17407
LC-ESI-QTOF; MS2; CE:10 eV; [M+H]+
MSBNK-Univ_Connecticut-CO000146
LC-ESI-QTOF; MS2; CE:20 eV; [M+H]+
MSBNK-Univ_Connecticut-CO000147
LC-ESI-QTOF; MS2; CE:30 eV; [M+H]+
MSBNK-Univ_Connecticut-CO000148
LC-ESI-QTOF; MS2; CE:40 eV; [M+H]+
MSBNK-Univ_Connecticut-CO000149
LC-ESI-QTOF; MS2; CE:50 eV; [M+H]+
MSBNK-Univ_Connecticut-CO000150
Drofenine
5 spectra
C20H31NO2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
317.23547
LC-ESI-QTOF; MS2; CE:10 eV; [M+H]+
MSBNK-Univ_Connecticut-CO000151
LC-ESI-QTOF; MS2; CE:20 eV; [M+H]+
MSBNK-Univ_Connecticut-CO000152
LC-ESI-QTOF; MS2; CE:30 eV; [M+H]+
MSBNK-Univ_Connecticut-CO000153
LC-ESI-QTOF; MS2; CE:40 eV; [M+H]+
MSBNK-Univ_Connecticut-CO000154
LC-ESI-QTOF; MS2; CE:50 eV; [M+H]+
MSBNK-Univ_Connecticut-CO000155
Enalapril
5 spectra
C20H28N2O5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
376.19983
LC-ESI-QTOF; MS2; CE:10 eV; [M+H]+
MSBNK-Univ_Connecticut-CO000156
LC-ESI-QTOF; MS2; CE:20 eV; [M+H]+
MSBNK-Univ_Connecticut-CO000157
LC-ESI-QTOF; MS2; CE:30 eV; [M+H]+
MSBNK-Univ_Connecticut-CO000158
LC-ESI-QTOF; MS2; CE:40 eV; [M+H]+
MSBNK-Univ_Connecticut-CO000159
LC-ESI-QTOF; MS2; CE:50 eV; [M+H]+
MSBNK-Univ_Connecticut-CO000160
Enalaprilat
5 spectra
C18H24N2O5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
348.16852
LC-ESI-QTOF; MS2; CE:10 eV; [M+H]+
MSBNK-Univ_Connecticut-CO000161
LC-ESI-QTOF; MS2; CE:20 eV; [M+H]+
MSBNK-Univ_Connecticut-CO000162
LC-ESI-QTOF; MS2; CE:30 eV; [M+H]+
MSBNK-Univ_Connecticut-CO000163
LC-ESI-QTOF; MS2; CE:40 eV; [M+H]+
MSBNK-Univ_Connecticut-CO000164
LC-ESI-QTOF; MS2; CE:50 eV; [M+H]+
MSBNK-Univ_Connecticut-CO000165
Ephedrine
5 spectra
C10H15NO
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
165.11536
LC-ESI-QTOF; MS2; CE:10 eV; [M+H]+
MSBNK-Univ_Connecticut-CO000166
LC-ESI-QTOF; MS2; CE:20 eV; [M+H]+
MSBNK-Univ_Connecticut-CO000167
LC-ESI-QTOF; MS2; CE:30 eV; [M+H]+
MSBNK-Univ_Connecticut-CO000168
LC-ESI-QTOF; MS2; CE:40 eV; [M+H]+
MSBNK-Univ_Connecticut-CO000169
LC-ESI-QTOF; MS2; CE:50 eV; [M+H]+
MSBNK-Univ_Connecticut-CO000170
Ergocristine
5 spectra
C35H39N5O5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
609.29510
LC-ESI-QTOF; MS2; CE:10 eV; [M+H]+
MSBNK-Univ_Connecticut-CO000171
LC-ESI-QTOF; MS2; CE:20 eV; [M+H]+
MSBNK-Univ_Connecticut-CO000172
LC-ESI-QTOF; MS2; CE:30 eV; [M+H]+
MSBNK-Univ_Connecticut-CO000173
LC-ESI-QTOF; MS2; CE:40 eV; [M+H]+
MSBNK-Univ_Connecticut-CO000174
LC-ESI-QTOF; MS2; CE:50 eV; [M+H]+
MSBNK-Univ_Connecticut-CO000175
Ergoloid_Mesylate
5 spectra
C33H45N5O5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
591.34204
LC-ESI-QTOF; MS2; CE:10 eV; [M+H]+
MSBNK-Univ_Connecticut-CO000176
LC-ESI-QTOF; MS2; CE:20 eV; [M+H]+
MSBNK-Univ_Connecticut-CO000177
LC-ESI-QTOF; MS2; CE:30 eV; [M+H]+
MSBNK-Univ_Connecticut-CO000178
LC-ESI-QTOF; MS2; CE:40 eV; [M+H]+
MSBNK-Univ_Connecticut-CO000179
LC-ESI-QTOF; MS2; CE:50 eV; [M+H]+
MSBNK-Univ_Connecticut-CO000180
Etamiphylline
5 spectra
C13H21N5O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
279.16953
LC-ESI-QTOF; MS2; CE:10 eV; [M+H]+
MSBNK-Univ_Connecticut-CO000181
LC-ESI-QTOF; MS2; CE:20 eV; [M+H]+
MSBNK-Univ_Connecticut-CO000182
LC-ESI-QTOF; MS2; CE:30 eV; [M+H]+
MSBNK-Univ_Connecticut-CO000183
LC-ESI-QTOF; MS2; CE:40 eV; [M+H]+
MSBNK-Univ_Connecticut-CO000184
LC-ESI-QTOF; MS2; CE:50 eV; [M+H]+
MSBNK-Univ_Connecticut-CO000185
Etodolac
5 spectra
C17H21NO3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
287.15213
LC-ESI-QTOF; MS2; CE:10 eV; [M+H]+
MSBNK-Univ_Connecticut-CO000186
LC-ESI-QTOF; MS2; CE:20 eV; [M+H]+
MSBNK-Univ_Connecticut-CO000187
LC-ESI-QTOF; MS2; CE:30 eV; [M+H]+
MSBNK-Univ_Connecticut-CO000188
LC-ESI-QTOF; MS2; CE:40 eV; [M+H]+
MSBNK-Univ_Connecticut-CO000189
LC-ESI-QTOF; MS2; CE:50 eV; [M+H]+
MSBNK-Univ_Connecticut-CO000190
Fenbendazole
5 spectra
C15H13N3O2S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
299.07285
LC-ESI-QTOF; MS2; CE:10 eV; [M+H]+
MSBNK-Univ_Connecticut-CO000191
LC-ESI-QTOF; MS2; CE:20 eV; [M+H]+
MSBNK-Univ_Connecticut-CO000192
LC-ESI-QTOF; MS2; CE:30 eV; [M+H]+
MSBNK-Univ_Connecticut-CO000193
LC-ESI-QTOF; MS2; CE:40 eV; [M+H]+
MSBNK-Univ_Connecticut-CO000194
LC-ESI-QTOF; MS2; CE:50 eV; [M+H]+
MSBNK-Univ_Connecticut-CO000195
Fenoterol
5 spectra
C17H21NO4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
303.14706
LC-ESI-QTOF; MS2; CE:10 eV; [M+H]+
MSBNK-Univ_Connecticut-CO000196
LC-ESI-QTOF; MS2; CE:20 eV; [M+H]+
MSBNK-Univ_Connecticut-CO000197
LC-ESI-QTOF; MS2; CE:30 eV; [M+H]+
MSBNK-Univ_Connecticut-CO000198
LC-ESI-QTOF; MS2; CE:40 eV; [M+H]+
MSBNK-Univ_Connecticut-CO000199
LC-ESI-QTOF; MS2; CE:50 eV; [M+H]+
MSBNK-Univ_Connecticut-CO000200
Folic_Acid
5 spectra
C19H19N7O6
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
441.13968
LC-ESI-QTOF; MS2; CE:10 eV; [M+H]+
MSBNK-Univ_Connecticut-CO000201
LC-ESI-QTOF; MS2; CE:20 eV; [M+H]+
MSBNK-Univ_Connecticut-CO000202
LC-ESI-QTOF; MS2; CE:30 eV; [M+H]+
MSBNK-Univ_Connecticut-CO000203
LC-ESI-QTOF; MS2; CE:40 eV; [M+H]+
MSBNK-Univ_Connecticut-CO000204
LC-ESI-QTOF; MS2; CE:50 eV; [M+H]+
MSBNK-Univ_Connecticut-CO000205
Gingerol
5 spectra
C17H26O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
294.18311
LC-ESI-QTOF; MS2; CE:10 eV; [M+H]+
MSBNK-Univ_Connecticut-CO000211
LC-ESI-QTOF; MS2; CE:20 eV; [M+H]+
MSBNK-Univ_Connecticut-CO000212
LC-ESI-QTOF; MS2; CE:30 eV; [M+H]+
MSBNK-Univ_Connecticut-CO000213
LC-ESI-QTOF; MS2; CE:40 eV; [M+H]+
MSBNK-Univ_Connecticut-CO000214
LC-ESI-QTOF; MS2; CE:50 eV; [M+H]+
MSBNK-Univ_Connecticut-CO000215
Hematoporphyrin_I
5 spectra
C34H38N4O6
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
598.27911
LC-ESI-QTOF; MS2; CE:10 eV; [M+H]+
MSBNK-Univ_Connecticut-CO000216
LC-ESI-QTOF; MS2; CE:20 eV; [M+H]+
MSBNK-Univ_Connecticut-CO000217
LC-ESI-QTOF; MS2; CE:30 eV; [M+H]+
MSBNK-Univ_Connecticut-CO000218
LC-ESI-QTOF; MS2; CE:40 eV; [M+H]+
MSBNK-Univ_Connecticut-CO000219
LC-ESI-QTOF; MS2; CE:50 eV; [M+H]+
MSBNK-Univ_Connecticut-CO000220
Hydrocortisone
5 spectra
C21H30O5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
362.20932
LC-ESI-QTOF; MS2; CE:10 eV; [M+H]+
MSBNK-Univ_Connecticut-CO000221
LC-ESI-QTOF; MS2; CE:20 eV; [M+H]+
MSBNK-Univ_Connecticut-CO000222
LC-ESI-QTOF; MS2; CE:30 eV; [M+H]+
MSBNK-Univ_Connecticut-CO000223
LC-ESI-QTOF; MS2; CE:40 eV; [M+H]+
MSBNK-Univ_Connecticut-CO000224
LC-ESI-QTOF; MS2; CE:50 eV; [M+H]+
MSBNK-Univ_Connecticut-CO000225
Hydroxybutorphanol
5 spectra
C21H29NO3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
343.21475
LC-ESI-QTOF; MS2; CE:10 eV; [M+H]+
MSBNK-Univ_Connecticut-CO000226
LC-ESI-QTOF; MS2; CE:20 eV; [M+H]+
MSBNK-Univ_Connecticut-CO000227
LC-ESI-QTOF; MS2; CE:30 eV; [M+H]+
MSBNK-Univ_Connecticut-CO000228
LC-ESI-QTOF; MS2; CE:40 eV; [M+H]+
MSBNK-Univ_Connecticut-CO000229
LC-ESI-QTOF; MS2; CE:50 eV; [M+H]+
MSBNK-Univ_Connecticut-CO000230
Hydroxyphenethylamine
5 spectra
C8H11NO
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
137.08406
LC-ESI-QTOF; MS2; CE:10 eV; [M+H]+
MSBNK-Univ_Connecticut-CO000231
LC-ESI-QTOF; MS2; CE:20 eV; [M+H]+
MSBNK-Univ_Connecticut-CO000232
LC-ESI-QTOF; MS2; CE:30 eV; [M+H]+
MSBNK-Univ_Connecticut-CO000233
LC-ESI-QTOF; MS2; CE:40 eV; [M+H]+
MSBNK-Univ_Connecticut-CO000234
LC-ESI-QTOF; MS2; CE:50 eV; [M+H]+
MSBNK-Univ_Connecticut-CO000235
Isoxsuprine
5 spectra
C18H23NO3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
301.16779
LC-ESI-QTOF; MS2; CE:10 eV; [M+H]+
MSBNK-Univ_Connecticut-CO000236
LC-ESI-QTOF; MS2; CE:20 eV; [M+H]+
MSBNK-Univ_Connecticut-CO000237
LC-ESI-QTOF; MS2; CE:30 eV; [M+H]+
MSBNK-Univ_Connecticut-CO000238
LC-ESI-QTOF; MS2; CE:40 eV; [M+H]+
MSBNK-Univ_Connecticut-CO000239
LC-ESI-QTOF; MS2; CE:50 eV; [M+H]+
MSBNK-Univ_Connecticut-CO000240
Ketorolac
5 spectra
C15H13NO3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
255.08954
LC-ESI-QTOF; MS2; CE:10 eV; [M+H]+
MSBNK-Univ_Connecticut-CO000241
LC-ESI-QTOF; MS2; CE:20 eV; [M+H]+
MSBNK-Univ_Connecticut-CO000242
LC-ESI-QTOF; MS2; CE:30 eV; [M+H]+
MSBNK-Univ_Connecticut-CO000243
LC-ESI-QTOF; MS2; CE:40 eV; [M+H]+
MSBNK-Univ_Connecticut-CO000244
LC-ESI-QTOF; MS2; CE:50 eV; [M+H]+
MSBNK-Univ_Connecticut-CO000245
Leucine_Enkephalin
5 spectra
C28H37N5O7
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
555.26929
LC-ESI-QTOF; MS2; CE:10 eV; [M+H]+
MSBNK-Univ_Connecticut-CO000246
LC-ESI-QTOF; MS2; CE:20 eV; [M+H]+
MSBNK-Univ_Connecticut-CO000247
LC-ESI-QTOF; MS2; CE:30 eV; [M+H]+
MSBNK-Univ_Connecticut-CO000248
LC-ESI-QTOF; MS2; CE:40 eV; [M+H]+
MSBNK-Univ_Connecticut-CO000249
LC-ESI-QTOF; MS2; CE:50 eV; [M+H]+
MSBNK-Univ_Connecticut-CO000250
Mebeverine
5 spectra
C25H35NO5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
429.25153
LC-ESI-QTOF; MS2; CE:10 eV; [M+H]+
MSBNK-Univ_Connecticut-CO000251
LC-ESI-QTOF; MS2; CE:20 eV; [M+H]+
MSBNK-Univ_Connecticut-CO000252
LC-ESI-QTOF; MS2; CE:30 eV; [M+H]+
MSBNK-Univ_Connecticut-CO000253
LC-ESI-QTOF; MS2; CE:40 eV; [M+H]+
MSBNK-Univ_Connecticut-CO000254
LC-ESI-QTOF; MS2; CE:50 eV; [M+H]+
MSBNK-Univ_Connecticut-CO000255
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