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Name
Formula / Structure
ExactMass
ID
(+)-(4,6-O-Benzylidene)methyl-alpha-D-glucopyranos...
1 spectrum
C14H18O6
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
282.11035
LC-ESI-QTOF; MS; NEGATIVE
MSBNK-Washington_State_Univ-BML80031
(+)-Catechin
1 spectrum
C15H14O6
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
290.07904
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
MSBNK-RIKEN-PR100687
(+)-Epicatechin
16 spectra
C15H14O6
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
290.27100
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS045607
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS045608
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR306282
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR306289
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR306296
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR306303
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR306309
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR306316
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR306322
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR306329
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR306336
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR306343
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR306350
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR306357
LC-ESI-QTOF; MS2
MSBNK-RIKEN_ReSpect-PT204560
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
MSBNK-RIKEN-PR100688
(+)-Usnic acid
2 spectra
C18H16O7
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
344.08960
LC-APCI-QTOF; MS; NEGATIVE
MSBNK-Washington_State_Univ-BML80048
LC-ESI-QTOF; MS; NEGATIVE
MSBNK-Washington_State_Univ-BML80046
(+-)-3-Methyl-2-oxovaleric acid sodium salt
1 spectrum
C6H10O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
130.14301
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS001607
(+-)-Baclofen
1 spectrum
C10H12ClNO2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
213.05566
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
MSBNK-RIKEN-PR100486
(+/-)-Catechin
4 spectra
C15H14O6
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
290.07904
LC-ESI-QTOF; MS2; CE 10 ev; [M-H]-
MSBNK-Washington_State_Univ-BML00626
LC-ESI-QTOF; MS2; CE 20 ev; [M-H]-
MSBNK-Washington_State_Univ-BML00630
LC-ESI-QTOF; MS2; CE 40 ev; [M-H]-
MSBNK-Washington_State_Univ-BML00634
LC-ESI-QTOF; MS; NEGATIVE
MSBNK-Washington_State_Univ-BML80051
(+/-)-cis,trans-abscisic acid
2 spectra
C15H20O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
264.13617
LC-ESI-QQ; MS2; CE:10.0 eV; [M-H]-
MSBNK-RIKEN-PR020172
LC-ESI-QQ; MS2; CE:5.0 eV; [M-H]-
MSBNK-RIKEN-PR020171
(-)-Bilobalide
5 spectra
C15H18O8
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
326.10016
LC-APCI-QTOF; MS; NEGATIVE
MSBNK-Washington_State_Univ-BML80013
LC-ESI-QTOF; MS2; CE 10 ev; [M-H]-
MSBNK-Washington_State_Univ-BML00546
LC-ESI-QTOF; MS2; CE 20 ev; [M-H]-
MSBNK-Washington_State_Univ-BML00554
LC-ESI-QTOF; MS2; CE 40 ev; [M-H]-
MSBNK-Washington_State_Univ-BML00562
LC-ESI-QTOF; MS; NEGATIVE
MSBNK-Washington_State_Univ-BML80011
(-)-Citramalic acid
1 spectrum
C5H8O5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
148.03717
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
MSBNK-RIKEN-PR100770
(-)-Epicatechin
19 spectra
C15H14O6
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
290.27100
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR306362
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR306368
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR306374
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR306380
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR306386
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR306391
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR306396
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR306402
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR306408
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR306413
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR306419
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR306425
LC-ESI-QTOF; MS2
MSBNK-RIKEN_ReSpect-PT204570
LC-ESI-QTOF; MS2; [M-H]-; CE: 10eV
MSBNK-Fiocruz-FIO00072
LC-ESI-QTOF; MS2; [M-H]-; CE: 20eV
MSBNK-Fiocruz-FIO00073
LC-ESI-QTOF; MS2; [M-H]-; CE: 30eV
MSBNK-Fiocruz-FIO00074
LC-ESI-QTOF; MS2; [M-H]-; CE: 40eV
MSBNK-Fiocruz-FIO00075
LC-ESI-QTOF; MS2; [M-H]-; CE: 50eV
MSBNK-Fiocruz-FIO00076
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
MSBNK-RIKEN-PR100689
(-)-epigallocatechin
1 spectrum
C15H14O7
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
306.07394
LC-ESI-ITFT; MS2; CE: 50%; R=7500; [M-H]-
MSBNK-MetaboLights-ML000151
(-)-Epigallocatechin gallate
9 spectra
C22H18O11
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
458.08490
LC-ESI-QFT; MS2; CE: 15; R=17500; [M-H]-
MSBNK-LCSB-LU080851
LC-ESI-QFT; MS2; CE: 30; R=17500; [M-H]-
MSBNK-LCSB-LU080852
LC-ESI-QFT; MS2; CE: 45; R=17500; [M-H]-
MSBNK-LCSB-LU080853
LC-ESI-QFT; MS2; CE: 60; R=17500; [M-H]-
MSBNK-LCSB-LU080854
LC-ESI-QFT; MS2; CE: 75; R=17500; [M-H]-
MSBNK-LCSB-LU080855
LC-ESI-QFT; MS2; CE: 90; R=17500; [M-H]-
MSBNK-LCSB-LU080856
LC-ESI-QTOF; MS2; CE: 10; R=; [M-H]-
MSBNK-BGC_Munich-RP017911
LC-ESI-QTOF; MS2; CE: 20; R=; [M-H]-
MSBNK-BGC_Munich-RP017912
LC-ESI-QTOF; MS2; CE: 40; R=; [M-H]-
MSBNK-BGC_Munich-RP017913
(-)-Epinephrine
5 spectra
C9H13NO3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
183.08954
LC-ESI-QQ; MS2; CE:10 V; [M-H]-
MSBNK-Keio_Univ-KO000734
LC-ESI-QQ; MS2; CE:20 V; [M-H]-
MSBNK-Keio_Univ-KO000735
LC-ESI-QQ; MS2; CE:30 V; [M-H]-
MSBNK-Keio_Univ-KO000736
LC-ESI-QQ; MS2; CE:40 V; [M-H]-
MSBNK-Keio_Univ-KO000737
LC-ESI-QQ; MS2; CE:50 V; [M-H]-
MSBNK-Keio_Univ-KO000738
(-)-Podophyllotoxin
11 spectra
C22H22O8
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
414.41000
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307926
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307927
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307928
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307929
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307930
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307931
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307932
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307933
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307934
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307935
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR308741
(-)-Riboflavin
1 spectrum
C17H20N4O6
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
376.13828
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
MSBNK-RIKEN-PR100856
(-)-Shikimic acid
6 spectra
C7H10O5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
174.05283
LC-ESI-QQ; MS2; CE:10 V; [M-H]-
MSBNK-Keio_Univ-KO001789
LC-ESI-QQ; MS2; CE:20 V; [M-H]-
MSBNK-Keio_Univ-KO001790
LC-ESI-QQ; MS2; CE:30 V; [M-H]-
MSBNK-Keio_Univ-KO001791
LC-ESI-QQ; MS2; CE:40 V; [M-H]-
MSBNK-Keio_Univ-KO001792
LC-ESI-QQ; MS2; CE:50 V; [M-H]-
MSBNK-Keio_Univ-KO001793
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
MSBNK-RIKEN-PR100485
(-)Shikimic acid, 3,4,5-Trihydroxy-1-cyclohexene-1...
1 spectrum
C7H10O5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
174.15199
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS001507
(-)Shikimic acid, 3,4,5-Trihydroxy-1-cyclohexene-1...
1 spectrum
C7H10O5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
174.15199
LC-ESI-QTOF; MS2
MSBNK-RIKEN_ReSpect-PT200150
(19R)-9-acetyl-19-hydroxy-10,14-dimethyl-20-oxopen...
3 spectra
C27H40O5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
444.28757
LC-APCI-QTOF; MS; NEGATIVE
MSBNK-Washington_State_Univ-BML80063
LC-ESI-QTOF; MS2; CE 10 ev; [M+CH3COOH-H]-
MSBNK-Washington_State_Univ-BML00047
LC-ESI-QTOF; MS; NEGATIVE
MSBNK-Washington_State_Univ-BML80061
(1R,2R)-3-Oxo-2-(2Z)-2-pentenylcyclopentanacetic A...
3 spectra
C12H18O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
210.27299
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS057407
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS057408
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS057409
(2-hydroxy-3-oxopropyl) dihydrogen phosphate, DL-G...
1 spectrum
C3H7O6P
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
170.05901
LC-ESI-QTOF; MS2
MSBNK-RIKEN_ReSpect-PT205890
(2R)-2,3-dihydroxypropanoic acid, D-(+)-Glyceric a...
1 spectrum
C3H6O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
106.07700
LC-ESI-QTOF; MS2
MSBNK-RIKEN_ReSpect-PT209700
(2R)-2-Hydroxy-2-phenethylglucosinolate
12 spectra
C15H21NO10S2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
439.45999
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307171
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307175
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307179
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307183
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307190
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307194
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307198
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307202
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307206
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307210
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307214
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR308765
(2R)-2-Hydroxybut-3-enylglucosinolate
1 spectrum
C11H19NO10S2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
389.04504
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+K-2H]-
MSBNK-RIKEN-PR100884
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