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Compound Name:
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Name
Formula / Structure
ExactMass
ID
b Zearalanol
6 spectra
C18H26O5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
322.17801
LC-ESI-ITFT; MS2; CE: 15%; R=7500; [M+H]+
MSBNK-HBM4EU-HB003546
LC-ESI-ITFT; MS2; CE: 20%; R=7500; [M+H]+
MSBNK-HBM4EU-HB003547
LC-ESI-ITFT; MS2; CE: 30%; R=7500; [M+H]+
MSBNK-HBM4EU-HB003548
LC-ESI-ITFT; MS2; CE: 40%; R=7500; [M+H]+
MSBNK-HBM4EU-HB004053
LC-ESI-ITFT; MS2; CE: 50%; R=7500; [M+H]+
MSBNK-HBM4EU-HB004054
LC-ESI-ITFT; MS2; CE: 60%; R=7500; [M+H]+
MSBNK-HBM4EU-HB004055
b Zearalenol
12 spectra
C18H24O5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
320.16241
LC-ESI-ITFT; MS2; CE: 15%; R=7500; [M+H]+
MSBNK-HBM4EU-HB003537
LC-ESI-ITFT; MS2; CE: 15%; R=7500; [M-H]-
MSBNK-HBM4EU-HB002999
LC-ESI-ITFT; MS2; CE: 20%; R=7500; [M+H]+
MSBNK-HBM4EU-HB003538
LC-ESI-ITFT; MS2; CE: 20%; R=7500; [M-H]-
MSBNK-HBM4EU-HB003000
LC-ESI-ITFT; MS2; CE: 30%; R=7500; [M+H]+
MSBNK-HBM4EU-HB003539
LC-ESI-ITFT; MS2; CE: 30%; R=7500; [M-H]-
MSBNK-HBM4EU-HB003001
LC-ESI-ITFT; MS2; CE: 40%; R=7500; [M+H]+
MSBNK-HBM4EU-HB003540
LC-ESI-ITFT; MS2; CE: 40%; R=7500; [M-H]-
MSBNK-HBM4EU-HB003002
LC-ESI-ITFT; MS2; CE: 50%; R=7500; [M+H]+
MSBNK-HBM4EU-HB003541
LC-ESI-ITFT; MS2; CE: 50%; R=7500; [M-H]-
MSBNK-HBM4EU-HB003003
LC-ESI-ITFT; MS2; CE: 60%; R=7500; [M+H]+
MSBNK-HBM4EU-HB003542
LC-ESI-ITFT; MS2; CE: 60%; R=7500; [M-H]-
MSBNK-HBM4EU-HB003004
B-D-GALACTOSE PENTAACETATE
1 spectrum
C16H22O11
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
390.11621
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP011452
B-D-GLUCOSE PENTAACETATE
1 spectrum
C16H22O11
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
390.11621
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP011490
b-HCH
1 spectrum
C6H6Cl6
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
287.86008
GC-EI-FT; MS; Positive
MSBNK-NILU-NL0104
b-Zearalanol
6 spectra
C18H26O5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
322.17801
LC-ESI-ITFT; MS2; CE: 15%; R=7500; [M-H]-
MSBNK-HBM4EU-HB003011
LC-ESI-ITFT; MS2; CE: 20%; R=7500; [M-H]-
MSBNK-HBM4EU-HB003013
LC-ESI-ITFT; MS2; CE: 30%; R=7500; [M-H]-
MSBNK-HBM4EU-HB003015
LC-ESI-ITFT; MS2; CE: 40%; R=7500; [M-H]-
MSBNK-HBM4EU-HB003012
LC-ESI-ITFT; MS2; CE: 50%; R=7500; [M-H]-
MSBNK-HBM4EU-HB003014
LC-ESI-ITFT; MS2; CE: 60%; R=7500; [M-H]-
MSBNK-HBM4EU-HB003016
Baccatin III
5 spectra
C31H38O11
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
586.24139
LC-APCI-QTOF; MS; NEGATIVE
MSBNK-Washington_State_Univ-BML82398
LC-APCI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML82397
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PM000816
LC-ESI-QTOF; MS; NEGATIVE
MSBNK-Washington_State_Univ-BML82396
LC-ESI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML82395
Baccatin iV
1 spectrum
C32H44O14
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
652.69000
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PM000828
Baclofen
30 spectra
C10H12ClNO2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
213.05569
LC-ESI-QTOF; MS2; 10 V
MSBNK-BAFG-CSL2311092014
LC-ESI-QTOF; MS2; 10 V
MSBNK-BAFG-CSL2311095779
LC-ESI-QTOF; MS2; 100 V
MSBNK-BAFG-CSL2311092005
LC-ESI-QTOF; MS2; 100 V
MSBNK-BAFG-CSL2311095782
LC-ESI-QTOF; MS2; 110 V
MSBNK-BAFG-CSL2311092002
LC-ESI-QTOF; MS2; 110 V
MSBNK-BAFG-CSL2311095791
LC-ESI-QTOF; MS2; 120 V
MSBNK-BAFG-CSL2311092007
LC-ESI-QTOF; MS2; 120 V
MSBNK-BAFG-CSL2311095789
LC-ESI-QTOF; MS2; 130 V
MSBNK-BAFG-CSL2311095777
LC-ESI-QTOF; MS2; 140 V
MSBNK-BAFG-CSL2311092004
LC-ESI-QTOF; MS2; 140 V
MSBNK-BAFG-CSL2311095785
LC-ESI-QTOF; MS2; 150 V
MSBNK-BAFG-CSL2311095781
LC-ESI-QTOF; MS2; 20 V
MSBNK-BAFG-CSL2311092012
LC-ESI-QTOF; MS2; 20 V
MSBNK-BAFG-CSL2311095784
LC-ESI-QTOF; MS2; 30 V
MSBNK-BAFG-CSL2311092009
LC-ESI-QTOF; MS2; 30 V
MSBNK-BAFG-CSL2311095792
LC-ESI-QTOF; MS2; 40 V
MSBNK-BAFG-CSL2311092003
LC-ESI-QTOF; MS2; 40 V
MSBNK-BAFG-CSL2311092008
LC-ESI-QTOF; MS2; 40 V
MSBNK-BAFG-CSL2311095786
LC-ESI-QTOF; MS2; 40 V
MSBNK-BAFG-CSL2311095787
LC-ESI-QTOF; MS2; 50 V
MSBNK-BAFG-CSL2311092015
LC-ESI-QTOF; MS2; 50 V
MSBNK-BAFG-CSL2311095788
LC-ESI-QTOF; MS2; 60 V
MSBNK-BAFG-CSL2311092006
LC-ESI-QTOF; MS2; 60 V
MSBNK-BAFG-CSL2311095790
LC-ESI-QTOF; MS2; 70 V
MSBNK-BAFG-CSL2311092010
LC-ESI-QTOF; MS2; 70 V
MSBNK-BAFG-CSL2311095783
LC-ESI-QTOF; MS2; 80 V
MSBNK-BAFG-CSL2311092011
LC-ESI-QTOF; MS2; 80 V
MSBNK-BAFG-CSL2311095780
LC-ESI-QTOF; MS2; 90 V
MSBNK-BAFG-CSL2311092013
LC-ESI-QTOF; MS2; 90 V
MSBNK-BAFG-CSL2311095778
Baclon, Kemstro, (+-)-Baclofen, 4-amino-3-(4-chlor...
3 spectra
C10H12ClNO2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
213.66400
LC-ESI-QTOF; MS2
MSBNK-RIKEN_ReSpect-PT100170
LC-ESI-QTOF; MS2
MSBNK-RIKEN_ReSpect-PT100173
LC-ESI-QTOF; MS2
MSBNK-RIKEN_ReSpect-PT200170
Baclon, Kemstro, (+-)-Baclofen, beta-(Aminomethyl)...
4 spectra
C10H12ClNO2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
213.66400
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS001701
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS001702
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS001703
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS001706
Bacopaside II
5 spectra
C47H76O18
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
928.50317
LC-ESI-QTOF; MS2; [M+H]+; CE: 10eV
MSBNK-Fiocruz-FIO00989
LC-ESI-QTOF; MS2; [M+H]+; CE: 20eV
MSBNK-Fiocruz-FIO00990
LC-ESI-QTOF; MS2; [M+H]+; CE: 30eV
MSBNK-Fiocruz-FIO00991
LC-ESI-QTOF; MS2; [M+H]+; CE: 40eV
MSBNK-Fiocruz-FIO00992
LC-ESI-QTOF; MS2; [M+H]+; CE: 50eV
MSBNK-Fiocruz-FIO00993
Bacopaside X
5 spectra
C46H74O17
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
898.49261
LC-ESI-QTOF; MS2; [M+H]+; CE: 10eV
MSBNK-Fiocruz-FIO00984
LC-ESI-QTOF; MS2; [M+H]+; CE: 20eV
MSBNK-Fiocruz-FIO00985
LC-ESI-QTOF; MS2; [M+H]+; CE: 30eV
MSBNK-Fiocruz-FIO00986
LC-ESI-QTOF; MS2; [M+H]+; CE: 40eV
MSBNK-Fiocruz-FIO00987
LC-ESI-QTOF; MS2; [M+H]+; CE: 50eV
MSBNK-Fiocruz-FIO00988
Bacoside A3
5 spectra
C47H76O18
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
928.50317
LC-ESI-QTOF; MS2; [M+H]+; CE: 10eV
MSBNK-Fiocruz-FIO00973
LC-ESI-QTOF; MS2; [M+H]+; CE: 20eV
MSBNK-Fiocruz-FIO00974
LC-ESI-QTOF; MS2; [M+H]+; CE: 30eV
MSBNK-Fiocruz-FIO00975
LC-ESI-QTOF; MS2; [M+H]+; CE: 40eV
MSBNK-Fiocruz-FIO00976
LC-ESI-QTOF; MS2; [M+H]+; CE: 50eV
MSBNK-Fiocruz-FIO00977
Bacosine
5 spectra
C30H48O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
456.36035
LC-ESI-QTOF; MS2; [M-H]-; CE: 10eV
MSBNK-Fiocruz-FIO00968
LC-ESI-QTOF; MS2; [M-H]-; CE: 20eV
MSBNK-Fiocruz-FIO00969
LC-ESI-QTOF; MS2; [M-H]-; CE: 30eV
MSBNK-Fiocruz-FIO00970
LC-ESI-QTOF; MS2; [M-H]-; CE: 40eV
MSBNK-Fiocruz-FIO00971
LC-ESI-QTOF; MS2; [M-H]-; CE: 50eV
MSBNK-Fiocruz-FIO00972
Badrakemin acetate
4 spectra
C26H32O5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
424.54190
LC-ESI-QQQ; MS2; Frag=135.0V CID@10.0; [M+Na]+
MSBNK-RIKEN_NPDepo-NGA01899
LC-ESI-QQQ; MS2; Frag=135.0V CID@15.0; [M+Na]+
MSBNK-RIKEN_NPDepo-NGA01898
LC-ESI-QQQ; MS2; Frag=135.0V CID@25.0; [M+Na]+
MSBNK-RIKEN_NPDepo-NGA01897
LC-ESI-QQQ; MS2; Frag=135.0V CID@5.0; [M+Na]+
MSBNK-RIKEN_NPDepo-NGA01900
Baic-7-GlcA, Baicalin, baicalein-7-O-glucuronide, ...
11 spectra
C21H18O11
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
446.36401
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS041501
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS041502
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS041503
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS041504
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS041505
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS041506
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS041507
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS041508
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS041509
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS041510
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS041511
Baicalein
28 spectra
C15H10O5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
270.05283
ESI-ITTOF; MS2; [M-H]-
MSBNK-MSSJ-MSJ00022
ESI-ITTOF; MS; Negative
MSBNK-MSSJ-MSJ00021
LC-ESI-ITTOF; MS; [M-H]-
MSBNK-Univ_Toyama-TY000024
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303609
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303610
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303611
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303612
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303613
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303614
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303615
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR303616
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307462
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307463
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307464
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307465
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307466
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307467
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307468
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307469
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307470
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307471
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR307472
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR308785
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR310475
LC-ESI-QTOF; MS2; CE:20 eV; [M-H]-
MSBNK-BS-BS003250
LC-ESI-QTOF; MS2; CE:40 eV; [M-H]-
MSBNK-BS-BS003247
LC-ESI-QTOF; MS; CE:10 eV; [M-H]-
MSBNK-BS-BS003248
LC-ESI-QTOF; MS; CE:10 eV; [M-H]-
MSBNK-BS-BS003249
Baicalein trimethyl ether
1 spectrum
C18H16O5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
312.09976
LC-ESI-ITTOF; MS; [M+H]+
MSBNK-Univ_Toyama-TY000125
baicalein-7-O-glucuronide, Baicalin, (2S,3S,4S,5R,...
2 spectra
C21H18O11
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
446.36401
LC-ESI-QTOF; MS2
MSBNK-RIKEN_ReSpect-PT104150
LC-ESI-QTOF; MS2
MSBNK-RIKEN_ReSpect-PT204150
Baicalin
15 spectra
C21H18O11
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
446.08490
LC-ESI-ITTOF; MS2; [2M-H]-
MSBNK-Univ_Toyama-TY000116
LC-ESI-ITTOF; MS2; [M+H]+
MSBNK-Univ_Toyama-TY000178
LC-ESI-ITTOF; MS; [M+H]+
MSBNK-Univ_Toyama-TY000034
LC-ESI-ITTOF; MS; [M-H]-
MSBNK-Univ_Toyama-TY000025
LC-ESI-QTOF; MS
MSBNK-RIKEN-PR020033
LC-ESI-QTOF; MS2; CE:30 eV; [2M+Na]+
MSBNK-RIKEN-PR040078
LC-ESI-QTOF; MS2; CE:30 eV; [2M-H]-
MSBNK-RIKEN-PR040076
LC-ESI-QTOF; MS2; CE:30 eV; [M+H]+
MSBNK-RIKEN-PR040077
LC-ESI-QTOF; MS2; CE:30 eV; [M-H]-
MSBNK-RIKEN-PR040075
LC-ESI-QTOF; MS2; CE:Ramp 5-60 eV; [2M+Na]+
MSBNK-RIKEN-PR040080
LC-ESI-QTOF; MS2; CE:Ramp 5-60 eV; [2M-H]-
MSBNK-RIKEN-PR040074
LC-ESI-QTOF; MS2; CE:Ramp 5-60 eV; [M+H]+
MSBNK-RIKEN-PR040079
LC-ESI-QTOF; MS2; CE:Ramp 5-60 eV; [M-H]-
MSBNK-RIKEN-PR040073
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+
MSBNK-RIKEN-PR100237
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
MSBNK-RIKEN-PR100652
Bamifylline
6 spectra
C20H27N5O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
385.21140
LC-ESI-Q; MS; POS; 15 V
MSBNK-Waters-WA001339
LC-ESI-Q; MS; POS; 30 V
MSBNK-Waters-WA001338
LC-ESI-Q; MS; POS; 45 V
MSBNK-Waters-WA001337
LC-ESI-Q; MS; POS; 60 V
MSBNK-Waters-WA001336
LC-ESI-Q; MS; POS; 75 V
MSBNK-Waters-WA001335
LC-ESI-Q; MS; POS; 90 V
MSBNK-Waters-WA001334
Baquiloprim
4 spectra
C17H20N6
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
308.17496
LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU117802
LC-ESI-QTOF; MS2; CE: 30 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU117803
LC-ESI-QTOF; MS2; CE: 40 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU117804
LC-ESI-QTOF; MS2; CE: 50 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU117805
Barbaloin
1 spectrum
C21H22O9
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
418.12637
LC-ESI-ITTOF; MS; [M+H]+
MSBNK-Univ_Toyama-TY000086
Barbatic acid
5 spectra
C19H20O7
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
360.36710
LC-ESI-QQQ; MS2; Frag=135.0V CID@10.0; [M+Na]+
MSBNK-RIKEN_NPDepo-NGA02315
LC-ESI-QQQ; MS2; Frag=135.0V CID@15.0; [M+Na]+
MSBNK-RIKEN_NPDepo-NGA02314
LC-ESI-QQQ; MS2; Frag=135.0V CID@25.0; [M+Na]+
MSBNK-RIKEN_NPDepo-NGA02313
LC-ESI-QQQ; MS2; Frag=135.0V CID@5.0; [M+Na]+
MSBNK-RIKEN_NPDepo-NGA02316
LC-ESI-QQQ; MS; [M+H]+
MSBNK-RIKEN_NPDepo-CB000267
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