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Name
Formula / Structure
ExactMass
ID
Benzylpenicillin
1 spectrum
C16H18N2O4S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
334.39691
LC-ESI-QQQ; MS; [M+H]+
CB000211
BENZYLTRIETHYLAMMONIUM BROMIDE
1 spectrum
C13H22BrN
271.09357
EI-B; MS
JP004207
BENZYLTRIMETHYLAMMONIUM CHLORIDE
1 spectrum
C10H16ClN
185.09714
EI-B; MS
JP004199
BENZYLTRIMETHYLSILANE
1 spectrum
C10H16Si
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
164.10213
EI-B; MS
JP002476
Bepridil
6 spectra
C24H34N2O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
366.26712
LC-ESI-Q; MS; POS; 15 V
WA001794
LC-ESI-Q; MS; POS; 30 V
WA001793
LC-ESI-Q; MS; POS; 45 V
WA001792
LC-ESI-Q; MS; POS; 60 V
WA001791
LC-ESI-Q; MS; POS; 75 V
WA001790
LC-ESI-Q; MS; POS; 90 V
WA001789
Berberine
25 spectra
[C20H18NO4]+
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
336.12357
LC-ESI-IT; MS2; m/z: 336; [M+H]+
KO008886
LC-ESI-IT; MS3; m/z: 336/292; [M+H]+
KO008888
LC-ESI-IT; MS3; m/z: 336/321; [M+H]+
KO008887
LC-ESI-ITFT; MS2; CE 35 eV; [M]+
CE000113
LC-ESI-ITFT; MS2; CE 45 eV; [M]+
CE000114
LC-ESI-ITFT; MS; [M]+; isotope pattern
CE000115
LC-ESI-ITTOF; MS; [M]+
TY000043
LC-ESI-ITTOF; MS; [M]+
TY000105
LC-ESI-QQ; MS2; CE:10 V; [M+H]+
KO002473
LC-ESI-QQ; MS2; CE:20 V; [M+H]+
KO002474
LC-ESI-QQ; MS2; CE:30 eV; M+
PB001481
LC-ESI-QQ; MS2; CE:30 V; [M+H]+
KO002475
LC-ESI-QQ; MS2; CE:35 eV; M+
PB001482
LC-ESI-QQ; MS2; CE:40 V; [M+H]+
KO002476
LC-ESI-QQ; MS2; CE:50 V; [M+H]+
KO002477
LC-ESI-QQQ; MS; [M+H]+
CB000105
LC-ESI-QTOF; MS2; [M+H]+; CE: 10eV
FIO01089
LC-ESI-QTOF; MS2; [M+H]+; CE: 20eV
FIO01090
LC-ESI-QTOF; MS2; [M+H]+; CE: 30eV
FIO01091
LC-ESI-QTOF; MS2; [M+H]+; CE: 40eV
FIO01092
LC-ESI-QTOF; MS2; [M+H]+; CE: 50eV
FIO01093
LC-ESI-QTOF; MS2; CE:10 eV; [M]+
PB005913
LC-ESI-QTOF; MS2; CE:15 eV; [M]+
PB005914
LC-ESI-QTOF; MS2; CE:20 eV; [M]+
PB005921
LC-ESI-QTOF; MS2; CE:30 eV; [M]+
PB005922
Bergamottin
6 spectra
C21H22O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
338.15179
LC-APCI-QTOF; MS; NEGATIVE
BML80813
LC-APCI-QTOF; MS; POSITIVE
BML80812
LC-ESI-QTOF; MS2; CE 10 ev; [M+H]+
BML00648
LC-ESI-QTOF; MS2; CE 20 ev; [M+H]+
BML00659
LC-ESI-QTOF; MS2; CE 40 ev; [M+H]+
BML00670
LC-ESI-QTOF; MS; POSITIVE
BML80810
Bergapten
18 spectra
C12H8O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
216.04225
LC-APCI-QTOF; MS; POSITIVE
BML80817
LC-ESI-ITFT; MS2; CE 35 eV; [M+H]+
CE000158
LC-ESI-ITFT; MS2; CE 45 eV; [M+H]+
CE000159
LC-ESI-ITFT; MS2; CE 55 eV; [M+H]+
CE000160
LC-ESI-ITFT; MS2; CE 70 eV; [M+H]+
CE000161
LC-ESI-ITFT; MS; [M+H]+; isotope pattern
CE000162
LC-ESI-QTOF; MS2; [M+H]+; CE: 10eV
FIO01009
LC-ESI-QTOF; MS2; [M+H]+; CE: 20eV
FIO01010
LC-ESI-QTOF; MS2; [M+H]+; CE: 30eV
FIO01011
LC-ESI-QTOF; MS2; [M+H]+; CE: 40eV
FIO01012
LC-ESI-QTOF; MS2; [M+H]+; CE: 50eV
FIO01013
LC-ESI-QTOF; MS2; CE 10 ev; [M+H]+
BML00701
LC-ESI-QTOF; MS2; CE 20 ev; [M+H]+
BML00710
LC-ESI-QTOF; MS2; CE 40 ev; [M+H]+
BML00719
LC-ESI-QTOF; MS; POSITIVE
BML80815
BERGAPTEN
1 spectrum
C12H8O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
216.04227
EI-B; MS
JP007967
Bergapten
18 spectra
C12H8O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
216.04227
LC-ESI-QTOF; MS2; CE:10 eV; [M+H]+
PB006143
LC-ESI-QTOF; MS2; CE:15 eV; [M+H]+
PB006144
LC-ESI-QTOF; MS2; CE:20 eV; [M+H]+
PB006145
Bergapten/Heraclin
55 spectra
C12H8O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
216.04230
LC-ESI-ITFT; MS2; CE: 10%; R=15000; [M+H]+
NA000816
LC-ESI-ITFT; MS2; CE: 100%; R=15000; [M+H]+
NA001709
LC-ESI-ITFT; MS2; CE: 105%; R=15000; [M+H]+
NA001829
LC-ESI-ITFT; MS2; CE: 105%; R=15000; [M+H]+
NA001947
LC-ESI-ITFT; MS2; CE: 105%; R=15000; [M+H]+
NA002063
LC-ESI-ITFT; MS2; CE: 110%; R=15000; [M+H]+
NA001711
LC-ESI-ITFT; MS2; CE: 115%; R=15000; [M+H]+
NA001831
LC-ESI-ITFT; MS2; CE: 115%; R=15000; [M+H]+
NA001949
LC-ESI-ITFT; MS2; CE: 115%; R=15000; [M+H]+
NA002065
LC-ESI-ITFT; MS2; CE: 120%; R=15000; [M+H]+
NA001713
LC-ESI-ITFT; MS2; CE: 125%; R=15000; [M+H]+
NA001833
LC-ESI-ITFT; MS2; CE: 125%; R=15000; [M+H]+
NA001951
LC-ESI-ITFT; MS2; CE: 125%; R=15000; [M+H]+
NA002067
LC-ESI-ITFT; MS2; CE: 15%; R=15000; [M+H]+
NA000817
LC-ESI-ITFT; MS2; CE: 15%; R=15000; [M+H]+
NA000941
LC-ESI-ITFT; MS2; CE: 20%; R=15000; [M+H]+
NA000818
LC-ESI-ITFT; MS2; CE: 20%; R=15000; [M+H]+
NA000942
LC-ESI-ITFT; MS2; CE: 25%; R=15000; [M+H]+
NA000819
LC-ESI-ITFT; MS2; CE: 25%; R=15000; [M+H]+
NA000943
LC-ESI-ITFT; MS2; CE: 30%; R=15000; [M+H]+
NA000820
LC-ESI-ITFT; MS2; CE: 30%; R=15000; [M+H]+
NA000944
LC-ESI-ITFT; MS2; CE: 35%; R=15000; [M+H]+
NA000945
LC-ESI-ITFT; MS2; CE: 35%; R=15000; [M+H]+
NA001071
LC-ESI-ITFT; MS2; CE: 40%; R=15000; [M+H]+
NA001070
LC-ESI-ITFT; MS2; CE: 40%; R=15000; [M+H]+
NA001198
LC-ESI-ITFT; MS2; CE: 45%; R=15000; [M+H]+
NA001073
LC-ESI-ITFT; MS2; CE: 45%; R=15000; [M+H]+
NA001197
LC-ESI-ITFT; MS2; CE: 50%; R=15000; [M+H]+
NA001072
LC-ESI-ITFT; MS2; CE: 50%; R=15000; [M+H]+
NA001200
LC-ESI-ITFT; MS2; CE: 55%; R=15000; [M+H]+
NA001199
LC-ESI-ITFT; MS2; CE: 55%; R=15000; [M+H]+
NA001325
LC-ESI-ITFT; MS2; CE: 55%; R=15000; [M+H]+
NA001450
LC-ESI-ITFT; MS2; CE: 60%; R=15000; [M+H]+
NA001074
LC-ESI-ITFT; MS2; CE: 60%; R=15000; [M+H]+
NA001585
LC-ESI-ITFT; MS2; CE: 65%; R=15000; [M+H]+
NA001201
LC-ESI-ITFT; MS2; CE: 65%; R=15000; [M+H]+
NA001327
LC-ESI-ITFT; MS2; CE: 65%; R=15000; [M+H]+
NA001452
LC-ESI-ITFT; MS2; CE: 70%; R=15000; [M+H]+
NA001324
LC-ESI-ITFT; MS2; CE: 70%; R=15000; [M+H]+
NA001449
LC-ESI-ITFT; MS2; CE: 70%; R=15000; [M+H]+
NA001587
LC-ESI-ITFT; MS2; CE: 75%; R=15000; [M+H]+
NA001584
LC-ESI-ITFT; MS2; CE: 75%; R=15000; [M+H]+
NA001710
LC-ESI-ITFT; MS2; CE: 80%; R=15000; [M+H]+
NA001326
LC-ESI-ITFT; MS2; CE: 80%; R=15000; [M+H]+
NA001451
LC-ESI-ITFT; MS2; CE: 80%; R=15000; [M+H]+
NA001830
LC-ESI-ITFT; MS2; CE: 80%; R=15000; [M+H]+
NA001948
LC-ESI-ITFT; MS2; CE: 80%; R=15000; [M+H]+
NA002064
LC-ESI-ITFT; MS2; CE: 85%; R=15000; [M+H]+
NA001586
LC-ESI-ITFT; MS2; CE: 85%; R=15000; [M+H]+
NA001712
LC-ESI-ITFT; MS2; CE: 90%; R=15000; [M+H]+
NA001328
LC-ESI-ITFT; MS2; CE: 90%; R=15000; [M+H]+
NA001453
LC-ESI-ITFT; MS2; CE: 90%; R=15000; [M+H]+
NA001832
LC-ESI-ITFT; MS2; CE: 90%; R=15000; [M+H]+
NA001950
LC-ESI-ITFT; MS2; CE: 90%; R=15000; [M+H]+
NA002066
LC-ESI-ITFT; MS2; CE: 95%; R=15000; [M+H]+
NA001588
Bergenin
28 spectra
C14H16O9
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
328.07944
LC-ESI-ITTOF; MS; [M+H]+
TY000078
LC-ESI-ITTOF; MS; [M-H]-
TY000120
LC-ESI-QTOF; MS2
PR303541
LC-ESI-QTOF; MS2
PR303542
LC-ESI-QTOF; MS2
PR303543
LC-ESI-QTOF; MS2
PR303544
LC-ESI-QTOF; MS2
PR303545
LC-ESI-QTOF; MS2
PR303546
LC-ESI-QTOF; MS2
PR303547
LC-ESI-QTOF; MS2
PR303548
LC-ESI-QTOF; MS2
PR303549
LC-ESI-QTOF; MS2
PR303550
LC-ESI-QTOF; MS2
PR303551
LC-ESI-QTOF; MS2
PR303552
LC-ESI-QTOF; MS2
PR307395
LC-ESI-QTOF; MS2
PR307396
LC-ESI-QTOF; MS2
PR307397
LC-ESI-QTOF; MS2
PR307398
LC-ESI-QTOF; MS2
PR307399
LC-ESI-QTOF; MS2
PR307400
LC-ESI-QTOF; MS2
PR307401
LC-ESI-QTOF; MS2
PR307402
LC-ESI-QTOF; MS2
PR307403
LC-ESI-QTOF; MS2
PR307404
LC-ESI-QTOF; MS2
PR307405
LC-ESI-QTOF; MS2
PR307406
LC-ESI-QTOF; MS2
PR308728
LC-ESI-QTOF; MS2
PR310423
BERYLLIUM DIACETONATE
1 spectrum
C10H14BeO4
207.10139
EI-B; MS
JP000336
Bestatin
14 spectra
C16H24N2O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
308.17361
LC-ESI-IT; MS2; m/z: 309; [M+H]+
KO009090
LC-ESI-IT; MS3; m/z: 309/120; [M+H]+
KO009093
LC-ESI-IT; MS3; m/z: 309/144; [M+H]+
KO009092
LC-ESI-IT; MS3; m/z: 309/196; [M+H]+
KO009091
LC-ESI-QQ; MS2; CE:10 V; [M+H]+
KO002463
LC-ESI-QQ; MS2; CE:10 V; [M-H]-
KO000341
LC-ESI-QQ; MS2; CE:20 V; [M+H]+
KO002464
LC-ESI-QQ; MS2; CE:20 V; [M-H]-
KO000342
LC-ESI-QQ; MS2; CE:30 V; [M+H]+
KO002465
LC-ESI-QQ; MS2; CE:30 V; [M-H]-
KO000343
LC-ESI-QQ; MS2; CE:40 V; [M+H]+
KO002466
LC-ESI-QQ; MS2; CE:40 V; [M-H]-
KO000344
LC-ESI-QQ; MS2; CE:50 V; [M+H]+
KO002467
LC-ESI-QQ; MS2; CE:50 V; [M-H]-
KO000345
beta,beta-Carotene-2,2'-diol
1 spectrum
C40H56O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
568.42804
FAB-EBEB; MS2; m/z: 568.43; [M]*+
CA000162
beta,gamma-Carotene
1 spectrum
C40H56
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
536.43817
LC-ESI-QTOF; MS2; POSITIVE; ESI; [M]+; COLLISION_ENERGY 20 eV.
MSJ00136
beta,gamma-Dehydrocurvularin
1 spectrum
C16H18O5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
290.11542
EI-B; MS
TT000133
BETA-(2-PYRIDYL)-TRANS-ACRYLIC ACID
1 spectrum
C8H7NO2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
149.04768
EI-B; MS
JP000501
BETA-(P-PROPIONAMIDOPHENOXY)-ACROLEIN
1 spectrum
C12H13NO3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
219.08954
EI-B; MS
JP003723
BETA-(TRIMETHYLSILYL)OXY-CINNAMIC ACID TRIMETHYLSI...
1 spectrum
C15H24O3Si2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
308.12640
EI-B; MS
JP001025
BETA-1,2,3,4,5,6-HEXACHLOROCYCLOHEXANE
1 spectrum
C6H6Cl6
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
287.86008
EI-B; MS
JP003406
beta-3-Indolylethylamine hydrochloride, Tryptamine...
4 spectra
C10H12N2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
160.22000
LC-ESI-QQ; MS2
PS006901
LC-ESI-QQ; MS2
PS006902
LC-ESI-QQ; MS2
PS006903
LC-ESI-QQ; MS2
PS006904
BETA-3-PHENYLTROPIDINE HYDROBROMIDE
1 spectrum
C14H18BrN
279.06226
EI-B; MS
JP003702
BETA-ACETYLPHENYLHYDRAZINE
1 spectrum
C8H10N2O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
150.07932
EI-B; MS
JP010804
beta-Ala, 3-Aminopropionic acid, 3-Aminopropanoate...
1 spectrum
C3H7NO2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
89.09400
LC-ESI-QTOF; MS2
PT103810
beta-Ala, 3-Aminopropionic acid, 3-Aminopropanoate...
4 spectra
C3H7NO2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
89.09400
LC-ESI-QQ; MS2
PS038101
LC-ESI-QQ; MS2
PS038102
LC-ESI-QQ; MS2
PS038103
LC-ESI-QQ; MS2
PS038104
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