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Name
Formula / Structure
ExactMass
ID
beta-Estradiol
7 spectra
C18H24O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
272.17764
LC-APPI-QQ; MS
FFF00278
LC-APPI-QQ; MS2; CE:10 V; [M-H2O+H]+
FFF00277
LC-APPI-QQ; MS2; CE:20 V; [M-H2O+H]+
FFF00276
LC-APPI-QQ; MS2; CE:30 V; [M-H2O+H]+
FFF00275
LC-APPI-QQ; MS2; CE:40 V; [M-H2O+H]+
FFF00274
LC-APPI-QQ; MS2; CE:50 V; [M-H2O+H]+
FFF00273
LC-APPI-QQ; MS2; CE:60 V; [M-H2O+H]+
FFF00272
beta-Sitosterol
7 spectra
C29H50O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
414.38617
LC-APPI-QQ; MS
FFF00069
LC-APPI-QQ; MS2; CE:10 V; [M-H2O+H]+
FFF00068
LC-APPI-QQ; MS2; CE:20 V; [M-H2O+H]+
FFF00067
LC-APPI-QQ; MS2; CE:30 V; [M-H2O+H]+
FFF00066
LC-APPI-QQ; MS2; CE:40 V; [M-H2O+H]+
FFF00065
LC-APPI-QQ; MS2; CE:50 V; [M-H2O+H]+
FFF00064
LC-APPI-QQ; MS2; CE:60 V; [M-H2O+H]+
FFF00063
Brassicasterol
7 spectra
C28H46O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
398.35486
LC-APPI-QQ; MS
FFF00124
LC-APPI-QQ; MS2; CE:10 V; [M-H2O+H]+
FFF00123
LC-APPI-QQ; MS2; CE:20 V; [M-H2O+H]+
FFF00122
LC-APPI-QQ; MS2; CE:30 V; [M-H2O+H]+
FFF00121
LC-APPI-QQ; MS2; CE:40 V; [M-H2O+H]+
FFF00120
LC-APPI-QQ; MS2; CE:50 V; [M-H2O+H]+
FFF00119
LC-APPI-QQ; MS2; CE:60 V; [M-H2O+H]+
FFF00118
Campesterol
7 spectra
C28H48O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
400.37051
LC-APPI-QQ; MS
FFF00165
LC-APPI-QQ; MS2; CE:10 V; [M-H2O+H]+
FFF00164
LC-APPI-QQ; MS2; CE:20 V; [M-H2O+H]+
FFF00163
LC-APPI-QQ; MS2; CE:30 V; [M-H2O+H]+
FFF00162
LC-APPI-QQ; MS2; CE:40 V; [M-H2O+H]+
FFF00161
LC-APPI-QQ; MS2; CE:50 V; [M-H2O+H]+
FFF00160
LC-APPI-QQ; MS2; CE:60 V; [M-H2O+H]+
FFF00159
Cholestanol
7 spectra
C27H48O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
388.37051
LC-APPI-QQ; MS
FFF00042
LC-APPI-QQ; MS2; CE:10 V; [M-H2O+H]+
FFF00041
LC-APPI-QQ; MS2; CE:20 V; [M-H2O+H]+
FFF00040
LC-APPI-QQ; MS2; CE:30 V; [M-H2O+H]+
FFF00039
LC-APPI-QQ; MS2; CE:40 V; [M-H2O+H]+
FFF00038
LC-APPI-QQ; MS2; CE:50 V; [M-H2O+H]+
FFF00037
LC-APPI-QQ; MS2; CE:60 V; [M-H2O+H]+
FFF00036
Cholesterol
7 spectra
C27H46O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
386.35486
LC-APPI-QQ; MS
FFF00007
LC-APPI-QQ; MS2; CE:10 V; [M-H2O+H]+
FFF00006
LC-APPI-QQ; MS2; CE:20 V; [M-H2O+H]+
FFF00005
LC-APPI-QQ; MS2; CE:30 V; [M-H2O+H]+
FFF00004
LC-APPI-QQ; MS2; CE:40 V; [M-H2O+H]+
FFF00003
LC-APPI-QQ; MS2; CE:50 V; [M-H2O+H]+
FFF00002
LC-APPI-QQ; MS2; CE:60 V; [M-H2O+H]+
FFF00001
Coprostanol
7 spectra
C27H48O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
388.37051
LC-APPI-QQ; MS
FFF00015
LC-APPI-QQ; MS2; CE:10 V; [M-H2O+H]+
FFF00014
LC-APPI-QQ; MS2; CE:20 V; [M-H2O+H]+
FFF00013
LC-APPI-QQ; MS2; CE:30 V; [M-H2O+H]+
FFF00012
LC-APPI-QQ; MS2; CE:40 V; [M-H2O+H]+
FFF00011
LC-APPI-QQ; MS2; CE:50 V; [M-H2O+H]+
FFF00009
LC-APPI-QQ; MS2; CE:60 V; [M-H2O+H]+
FFF00008
Coprostanone
13 spectra
C27H46O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
386.35486
LC-APPI-QQ; MS
FFF00035
LC-APPI-QQ; MS2; CE:10 V; [M+H]+
FFF00028
LC-APPI-QQ; MS2; CE:10 V; [M-H2O+H]+
FFF00034
LC-APPI-QQ; MS2; CE:20 V; [M+H]+
FFF00027
LC-APPI-QQ; MS2; CE:20 V; [M-H2O+H]+
FFF00033
LC-APPI-QQ; MS2; CE:30 V; [M+H]+
FFF00026
LC-APPI-QQ; MS2; CE:30 V; [M-H2O+H]+
FFF00032
LC-APPI-QQ; MS2; CE:40 V; [M+H]+
FFF00025
LC-APPI-QQ; MS2; CE:40 V; [M-H2O+H]+
FFF00031
LC-APPI-QQ; MS2; CE:50 V; [M+H]+
FFF00024
LC-APPI-QQ; MS2; CE:50 V; [M-H2O+H]+
FFF00030
LC-APPI-QQ; MS2; CE:60 V; [M+H]+
FFF00023
LC-APPI-QQ; MS2; CE:60 V; [M-H2O+H]+
FFF00029
Daidzein
7 spectra
C15H10O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
254.05791
LC-APPI-QQ; MS
FFF00076
LC-APPI-QQ; MS2; CE:10 V; [M+H]+
FFF00075
LC-APPI-QQ; MS2; CE:20 V; [M+H]+
FFF00074
LC-APPI-QQ; MS2; CE:30 V; [M+H]+
FFF00073
LC-APPI-QQ; MS2; CE:40 V; [M+H]+
FFF00072
LC-APPI-QQ; MS2; CE:50 V; [M+H]+
FFF00071
LC-APPI-QQ; MS2; CE:60 V; [M+H]+
FFF00070
Dehydroepiandrosterone
13 spectra
C19H28O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
288.20892
LC-APPI-QQ; MS
FFF00096
LC-APPI-QQ; MS2; CE:10 V; [M-2H2O+H]+
FFF00095
LC-APPI-QQ; MS2; CE:10 V; [M-H2O+H]+
FFF00089
LC-APPI-QQ; MS2; CE:20 V; [M-2H2O+H]+
FFF00094
LC-APPI-QQ; MS2; CE:20 V; [M-H2O+H]+
FFF00088
LC-APPI-QQ; MS2; CE:30 V; [M-2H2O+H]+
FFF00093
LC-APPI-QQ; MS2; CE:30 V; [M-H2O+H]+
FFF00087
LC-APPI-QQ; MS2; CE:40 V; [M-2H2O+H]+
FFF00092
LC-APPI-QQ; MS2; CE:40 V; [M-H2O+H]+
FFF00086
LC-APPI-QQ; MS2; CE:50 V; [M-2H2O+H]+
FFF00091
LC-APPI-QQ; MS2; CE:50 V; [M-H2O+H]+
FFF00085
LC-APPI-QQ; MS2; CE:60 V; [M-2H2O+H]+
FFF00090
LC-APPI-QQ; MS2; CE:60 V; [M-H2O+H]+
FFF00084
Dihydrotestosterone
25 spectra
C19H30O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
290.22458
LC-APPI-QQ; MS
FFF00231
LC-APPI-QQ; MS2; CE:10 V; [M+CH3]+
FFF00230
LC-APPI-QQ; MS2; CE:10 V; [M+H]+
FFF00212
LC-APPI-QQ; MS2; CE:10 V; [M-2H2O+H]+
FFF00224
LC-APPI-QQ; MS2; CE:10 V; [M-H2O+H]+
FFF00218
LC-APPI-QQ; MS2; CE:20 V; [M+CH3]+
FFF00229
LC-APPI-QQ; MS2; CE:20 V; [M+H]+
FFF00211
LC-APPI-QQ; MS2; CE:20 V; [M-2H2O+H]+
FFF00223
LC-APPI-QQ; MS2; CE:20 V; [M-H2O+H]+
FFF00217
LC-APPI-QQ; MS2; CE:30 V; [M+CH3]+
FFF00228
LC-APPI-QQ; MS2; CE:30 V; [M+H]+
FFF00210
LC-APPI-QQ; MS2; CE:30 V; [M-2H2O+H]+
FFF00222
LC-APPI-QQ; MS2; CE:30 V; [M-H2O+H]+
FFF00216
LC-APPI-QQ; MS2; CE:40 V; [M+CH3]+
FFF00227
LC-APPI-QQ; MS2; CE:40 V; [M+H]+
FFF00209
LC-APPI-QQ; MS2; CE:40 V; [M-2H2O+H]+
FFF00221
LC-APPI-QQ; MS2; CE:40 V; [M-H2O+H]+
FFF00215
LC-APPI-QQ; MS2; CE:50 V; [M+CH3]+
FFF00226
LC-APPI-QQ; MS2; CE:50 V; [M+H]+
FFF00208
LC-APPI-QQ; MS2; CE:50 V; [M-2H2O+H]+
FFF00220
LC-APPI-QQ; MS2; CE:50 V; [M-H2O+H]+
FFF00214
LC-APPI-QQ; MS2; CE:60 V; [M+CH3]+
FFF00225
LC-APPI-QQ; MS2; CE:60 V; [M+H]+
FFF00207
LC-APPI-QQ; MS2; CE:60 V; [M-2H2O+H]+
FFF00219
LC-APPI-QQ; MS2; CE:60 V; [M-H2O+H]+
FFF00213
Epiandrosterone
13 spectra
C19H30O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
290.22458
LC-APPI-QQ; MS
FFF00192
LC-APPI-QQ; MS2; CE:10 V; [M-2H2O+H]+
FFF00191
LC-APPI-QQ; MS2; CE:10 V; [M-H2O+H]+
FFF00185
LC-APPI-QQ; MS2; CE:20 V; [M-2H2O+H]+
FFF00190
LC-APPI-QQ; MS2; CE:20 V; [M-H2O+H]+
FFF00184
LC-APPI-QQ; MS2; CE:30 V; [M-2H2O+H]+
FFF00189
LC-APPI-QQ; MS2; CE:30 V; [M-H2O+H]+
FFF00183
LC-APPI-QQ; MS2; CE:40 V; [M-2H2O+H]+
FFF00188
LC-APPI-QQ; MS2; CE:40 V; [M-H2O+H]+
FFF00182
LC-APPI-QQ; MS2; CE:50 V; [M-2H2O+H]+
FFF00187
LC-APPI-QQ; MS2; CE:50 V; [M-H2O+H]+
FFF00181
LC-APPI-QQ; MS2; CE:60 V; [M-2H2O+H]+
FFF00186
LC-APPI-QQ; MS2; CE:60 V; [M-H2O+H]+
FFF00180
Epicholestanol
7 spectra
C27H48O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
388.37051
LC-APPI-QQ; MS
FFF00158
LC-APPI-QQ; MS2; CE:10 V; [M-H2O+H]+
FFF00157
LC-APPI-QQ; MS2; CE:20 V; [M-H2O+H]+
FFF00156
LC-APPI-QQ; MS2; CE:30 V; [M-H2O+H]+
FFF00155
LC-APPI-QQ; MS2; CE:40 V; [M-H2O+H]+
FFF00154
LC-APPI-QQ; MS2; CE:50 V; [M-H2O+H]+
FFF00153
LC-APPI-QQ; MS2; CE:60 V; [M-H2O+H]+
FFF00152
Epicoprostanol
7 spectra
C27H48O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
388.37051
LC-APPI-QQ; MS
FFF00022
LC-APPI-QQ; MS2; CE:10 V; [M-H2O+H]+
FFF00021
LC-APPI-QQ; MS2; CE:20 V; [M-H2O+H]+
FFF00020
LC-APPI-QQ; MS2; CE:30 V; [M-H2O+H]+
FFF00019
LC-APPI-QQ; MS2; CE:40 V; [M-H2O+H]+
FFF00018
LC-APPI-QQ; MS2; CE:50 V; [M-H2O+H]+
FFF00017
LC-APPI-QQ; MS2; CE:60 V; [M-H2O+H]+
FFF00016
Ergosterol
7 spectra
C28H44O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
396.33923
LC-APPI-QQ; MS
FFF00179
LC-APPI-QQ; MS2; CE:10 V; [M-H2O+H]+
FFF00178
LC-APPI-QQ; MS2; CE:20 V; [M-H2O+H]+
FFF00177
LC-APPI-QQ; MS2; CE:30 V; [M-H2O+H]+
FFF00176
LC-APPI-QQ; MS2; CE:40 V; [M-H2O+H]+
FFF00175
LC-APPI-QQ; MS2; CE:50 V; [M-H2O+H]+
FFF00174
LC-APPI-QQ; MS2; CE:60 V; [M-H2O+H]+
FFF00173
Estriol
13 spectra
C18H24O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
288.17255
LC-APPI-QQ; MS
FFF00137
LC-APPI-QQ; MS2; CE:10 V; [M-2H2O+H]+
FFF00136
LC-APPI-QQ; MS2; CE:10 V; [M-H2O+H]+
FFF00130
LC-APPI-QQ; MS2; CE:20 V; [M-2H2O+H]+
FFF00135
LC-APPI-QQ; MS2; CE:20 V; [M-H2O+H]+
FFF00129
LC-APPI-QQ; MS2; CE:30 V; [M-2H2O+H]+
FFF00134
LC-APPI-QQ; MS2; CE:30 V; [M-H2O+H]+
FFF00128
LC-APPI-QQ; MS2; CE:40 V; [M-2H2O+H]+
FFF00133
LC-APPI-QQ; MS2; CE:40 V; [M-H2O+H]+
FFF00127
LC-APPI-QQ; MS2; CE:50 V; [M-2H2O+H]+
FFF00132
LC-APPI-QQ; MS2; CE:50 V; [M-H2O+H]+
FFF00126
LC-APPI-QQ; MS2; CE:60 V; [M-2H2O+H]+
FFF00131
LC-APPI-QQ; MS2; CE:60 V; [M-H2O+H]+
FFF00125
Estrone
13 spectra
C18H22O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
270.16199
LC-APPI-QQ; MS
FFF00244
LC-APPI-QQ; MS2; CE:10 V; [M+H]+
FFF00237
LC-APPI-QQ; MS2; CE:10 V; [M-H2O+H]+
FFF00243
LC-APPI-QQ; MS2; CE:20 V; [M+H]+
FFF00236
LC-APPI-QQ; MS2; CE:20 V; [M-H2O+H]+
FFF00242
LC-APPI-QQ; MS2; CE:30 V; [M+H]+
FFF00235
LC-APPI-QQ; MS2; CE:30 V; [M-H2O+H]+
FFF00241
LC-APPI-QQ; MS2; CE:40 V; [M+H]+
FFF00234
LC-APPI-QQ; MS2; CE:40 V; [M-H2O+H]+
FFF00240
LC-APPI-QQ; MS2; CE:50 V; [M+H]+
FFF00233
LC-APPI-QQ; MS2; CE:50 V; [M-H2O+H]+
FFF00239
LC-APPI-QQ; MS2; CE:60 V; [M+H]+
FFF00232
LC-APPI-QQ; MS2; CE:60 V; [M-H2O+H]+
FFF00238
Ethinyl estradiol
7 spectra
C20H24O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
296.17764
LC-APPI-QQ; MS
FFF00172
LC-APPI-QQ; MS2; CE:10 V; [M-H2O+H]+
FFF00171
LC-APPI-QQ; MS2; CE:20 V; [M-H2O+H]+
FFF00170
LC-APPI-QQ; MS2; CE:30 V; [M-H2O+H]+
FFF00169
LC-APPI-QQ; MS2; CE:40 V; [M-H2O+H]+
FFF00168
LC-APPI-QQ; MS2; CE:50 V; [M-H2O+H]+
FFF00167
LC-APPI-QQ; MS2; CE:60 V; [M-H2O+H]+
FFF00166
Genistein
7 spectra
C15H10O5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
270.05283
LC-APPI-QQ; MS
FFF00199
LC-APPI-QQ; MS2; CE:10 V; [M+H]+
FFF00198
LC-APPI-QQ; MS2; CE:20 V; [M+H]+
FFF00197
LC-APPI-QQ; MS2; CE:30 V; [M+H]+
FFF00196
LC-APPI-QQ; MS2; CE:40 V; [M+H]+
FFF00195
LC-APPI-QQ; MS2; CE:50 V; [M+H]+
FFF00194
LC-APPI-QQ; MS2; CE:60 V; [M+H]+
FFF00193
isoPFOA
5 spectra
C8HF15O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
413.97369
LC-ESI-QQ; MS2; CE10eV
FFF00347
LC-ESI-QQ; MS2; CE20eV
FFF00348
LC-ESI-QQ; MS2; CE30eV
FFF00349
LC-ESI-QQ; MS2; CE40eV
FFF00350
LC-ESI-QQ; MS2; CE50eV
FFF00351
isoPFOS
6 spectra
C8HF17O3S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
499.93750
LC-ESI-QQ; MS2; CE10eV
FFF00299
LC-ESI-QQ; MS2; CE20eV
FFF00300
LC-ESI-QQ; MS2; CE30eV
FFF00301
LC-ESI-QQ; MS2; CE40eV
FFF00302
LC-ESI-QQ; MS2; CE50eV
FFF00303
LC-ESI-QQ; MS2; CE60eV
FFF00304
nPFOA
5 spectra
C8HF15O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
413.97369
LC-ESI-QQ; MS2; CE10eV
FFF00342
LC-ESI-QQ; MS2; CE20eV
FFF00343
LC-ESI-QQ; MS2; CE30eV
FFF00344
LC-ESI-QQ; MS2; CE40eV
FFF00345
LC-ESI-QQ; MS2; CE50eV
FFF00346
nPFOS
6 spectra
C8HF17O3S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
499.93750
LC-ESI-QQ; MS2; CE10eV; [M-H]-
FFF00293
LC-ESI-QQ; MS2; CE20eV; [M-H]-
FFF00294
LC-ESI-QQ; MS2; CE30eV; [M-H]-
FFF00295
LC-ESI-QQ; MS2; CE40eV; [M-H]-
FFF00296
LC-ESI-QQ; MS2; CE50eV; [M-H]-
FFF00297
LC-ESI-QQ; MS2; CE60eV; [M-H]-
FFF00298
Oseltamivir
3 spectra
C16H28N2O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
312.20490
LC-APPI-QQ; MS
FFF00285
LC-APPI-QQ; MS2; CE10; [M+H]+
FFF00284
LC-APPI-QQ; MS2; CE20; [M+H]+
FFF00283
Oseltamivir acid
7 spectra
C14H24N2O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
284.17361
LC-APPI-QQ; MS
FFF00292
LC-APPI-QQ; MS2; CE10; [M+H]+
FFF00291
LC-APPI-QQ; MS2; CE20; [M+H]+
FFF00290
LC-APPI-QQ; MS2; CE30; [M+H]+
FFF00289
LC-APPI-QQ; MS2; CE40; [M+H]+
FFF00288
LC-APPI-QQ; MS2; CE50; [M+H]+
FFF00287
LC-APPI-QQ; MS2; CE60; [M+H]+
FFF00286
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