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Name
Formula / Structure
ExactMass
ID
A alpha C
3 spectra
C11H9N3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
183.07961
APCI-ITFT; MS2; CE: 35%; R=30000; [M+H]+
MSBNK-UFZ-UA000803
APCI-ITFT; MS2; CE: 35%; R=30000; [M-H]-
MSBNK-UFZ-UA000804
ESI-ITFT; MS2; CE: 35%; R=30000; [M+H]+
MSBNK-UFZ-UA000801
a 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-HB003543
LC-ESI-ITFT; MS2; CE: 20%; R=7500; [M+H]+
MSBNK-HBM4EU-HB003544
LC-ESI-ITFT; MS2; CE: 30%; R=7500; [M+H]+
MSBNK-HBM4EU-HB003545
LC-ESI-ITFT; MS2; CE: 40%; R=7500; [M+H]+
MSBNK-HBM4EU-HB004050
LC-ESI-ITFT; MS2; CE: 50%; R=7500; [M+H]+
MSBNK-HBM4EU-HB004051
LC-ESI-ITFT; MS2; CE: 60%; R=7500; [M+H]+
MSBNK-HBM4EU-HB004052
a 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-HB003534
LC-ESI-ITFT; MS2; CE: 15%; R=7500; [M-H]-
MSBNK-HBM4EU-HB002993
LC-ESI-ITFT; MS2; CE: 20%; R=7500; [M+H]+
MSBNK-HBM4EU-HB003535
LC-ESI-ITFT; MS2; CE: 20%; R=7500; [M-H]-
MSBNK-HBM4EU-HB002995
LC-ESI-ITFT; MS2; CE: 30%; R=7500; [M+H]+
MSBNK-HBM4EU-HB003536
LC-ESI-ITFT; MS2; CE: 30%; R=7500; [M-H]-
MSBNK-HBM4EU-HB002997
LC-ESI-ITFT; MS2; CE: 40%; R=7500; [M+H]+
MSBNK-HBM4EU-HB004047
LC-ESI-ITFT; MS2; CE: 40%; R=7500; [M-H]-
MSBNK-HBM4EU-HB002994
LC-ESI-ITFT; MS2; CE: 50%; R=7500; [M+H]+
MSBNK-HBM4EU-HB004048
LC-ESI-ITFT; MS2; CE: 50%; R=7500; [M-H]-
MSBNK-HBM4EU-HB002996
LC-ESI-ITFT; MS2; CE: 60%; R=7500; [M+H]+
MSBNK-HBM4EU-HB004049
LC-ESI-ITFT; MS2; CE: 60%; R=7500; [M-H]-
MSBNK-HBM4EU-HB002998
A-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-JP011491
A-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-JP011489
a-Linolenic acid (NMR)
5 spectra
C18H30O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
278.22461
LC-ESI-QTOF; MS
MSBNK-BS-BS001070
LC-ESI-QTOF; MS2; CE:10 eV; [M-H]-
MSBNK-BS-BS001069
LC-ESI-QTOF; MS2; CE:20 eV; [M-H]-
MSBNK-BS-BS001071
LC-ESI-QTOF; MS2; CE:30 eV; [M-H]-
MSBNK-BS-BS001072
LC-ESI-QTOF; MS; CE:10 eV; [M-H]-
MSBNK-BS-BS001073
a-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-HB003005
LC-ESI-ITFT; MS2; CE: 20%; R=7500; [M-H]-
MSBNK-HBM4EU-HB003007
LC-ESI-ITFT; MS2; CE: 30%; R=7500; [M-H]-
MSBNK-HBM4EU-HB003009
LC-ESI-ITFT; MS2; CE: 40%; R=7500; [M-H]-
MSBNK-HBM4EU-HB003006
LC-ESI-ITFT; MS2; CE: 50%; R=7500; [M-H]-
MSBNK-HBM4EU-HB003008
LC-ESI-ITFT; MS2; CE: 60%; R=7500; [M-H]-
MSBNK-HBM4EU-HB003010
A9PE2C
1 spectrum
C20H32O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
336.23001
LC-ESI-Q; MS2; 40 V; [M+H]+
MSBNK-Literature_Specs-LIT00029
AA-[d8]
6 spectra
C20H32O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
304.24023
LC-ESI-QFT; MS2; CE: 20.0; R=30.000; [M-H]-
MSBNK-ISAS_Dortmund-IA000070
LC-ESI-QFT; MS2; CE: 30.0; R=30.000; [M-H]-
MSBNK-ISAS_Dortmund-IA000071
LC-ESI-QFT; MS2; CE: 40.0; R=30.000; [M-H]-
MSBNK-ISAS_Dortmund-IA000072
LC-ESI-QTOF; MS2; CE: 10.0; R=N/A; [M-H]-
MSBNK-ISAS_Dortmund-IA000361
LC-ESI-QTOF; MS2; CE: 20.0; R=N/A; [M-H]-
MSBNK-ISAS_Dortmund-IA000362
LC-ESI-QTOF; MS2; CE: 30.0; R=N/A; [M-H]-
MSBNK-ISAS_Dortmund-IA000363
AAL toxin TB
10 spectra
C25H47NO9
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
505.32507
LC-ESI-ITFT; MS2; CE: 10; R=17500; [M+H]+
MSBNK-AAFC-AC000006
LC-ESI-ITFT; MS2; CE: 10; R=17500; [M+Na]+
MSBNK-AAFC-AC000011
LC-ESI-ITFT; MS2; CE: 20; R=17500; [M+H]+
MSBNK-AAFC-AC000007
LC-ESI-ITFT; MS2; CE: 20; R=17500; [M+Na]+
MSBNK-AAFC-AC000012
LC-ESI-ITFT; MS2; CE: 30; R=17500; [M+H]+
MSBNK-AAFC-AC000008
LC-ESI-ITFT; MS2; CE: 30; R=17500; [M+Na]+
MSBNK-AAFC-AC000013
LC-ESI-ITFT; MS2; CE: 35; R=17500; [M+H]+
MSBNK-AAFC-AC000009
LC-ESI-ITFT; MS2; CE: 35; R=17500; [M+Na]+
MSBNK-AAFC-AC000014
LC-ESI-ITFT; MS2; CE: 50; R=17500; [M+H]+
MSBNK-AAFC-AC000010
LC-ESI-ITFT; MS2; CE: 50; R=17500; [M+Na]+
MSBNK-AAFC-AC000015
Abacavir
16 spectra
C14H18N6O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
286.15421
LC-ESI-QTOF; MS2; 10 V
MSBNK-BAFG-CSL2311107843
LC-ESI-QTOF; MS2; 100 V
MSBNK-BAFG-CSL2311107833
LC-ESI-QTOF; MS2; 110 V
MSBNK-BAFG-CSL2311107838
LC-ESI-QTOF; MS2; 120 V
MSBNK-BAFG-CSL2311107839
LC-ESI-QTOF; MS2; 130 V
MSBNK-BAFG-CSL2311107831
LC-ESI-QTOF; MS2; 140 V
MSBNK-BAFG-CSL2311107832
LC-ESI-QTOF; MS2; 150 V
MSBNK-BAFG-CSL2311107842
LC-ESI-QTOF; MS2; 20 V
MSBNK-BAFG-CSL2311107836
LC-ESI-QTOF; MS2; 30 V
MSBNK-BAFG-CSL2311107844
LC-ESI-QTOF; MS2; 40 V
MSBNK-BAFG-CSL2311107837
LC-ESI-QTOF; MS2; 40 V
MSBNK-BAFG-CSL2311107845
LC-ESI-QTOF; MS2; 50 V
MSBNK-BAFG-CSL2311107835
LC-ESI-QTOF; MS2; 60 V
MSBNK-BAFG-CSL2311107840
LC-ESI-QTOF; MS2; 70 V
MSBNK-BAFG-CSL2311107834
LC-ESI-QTOF; MS2; 80 V
MSBNK-BAFG-CSL2311107841
LC-ESI-QTOF; MS2; 90 V
MSBNK-BAFG-CSL2311107846
Abacavir carboxylic acid
32 spectra
C14H16N6O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
300.13351
LC-ESI-QTOF; MS2; 10 V
MSBNK-BAFG-CSL2311092779
LC-ESI-QTOF; MS2; 10 V
MSBNK-BAFG-CSL2311107724
LC-ESI-QTOF; MS2; 100 V
MSBNK-BAFG-CSL2311092782
LC-ESI-QTOF; MS2; 100 V
MSBNK-BAFG-CSL2311107726
LC-ESI-QTOF; MS2; 110 V
MSBNK-BAFG-CSL2311092781
LC-ESI-QTOF; MS2; 110 V
MSBNK-BAFG-CSL2311107727
LC-ESI-QTOF; MS2; 120 V
MSBNK-BAFG-CSL2311092773
LC-ESI-QTOF; MS2; 120 V
MSBNK-BAFG-CSL2311107723
LC-ESI-QTOF; MS2; 130 V
MSBNK-BAFG-CSL2311092769
LC-ESI-QTOF; MS2; 130 V
MSBNK-BAFG-CSL2311107730
LC-ESI-QTOF; MS2; 140 V
MSBNK-BAFG-CSL2311092767
LC-ESI-QTOF; MS2; 140 V
MSBNK-BAFG-CSL2311107735
LC-ESI-QTOF; MS2; 150 V
MSBNK-BAFG-CSL2311092774
LC-ESI-QTOF; MS2; 150 V
MSBNK-BAFG-CSL2311107722
LC-ESI-QTOF; MS2; 20 V
MSBNK-BAFG-CSL2311092775
LC-ESI-QTOF; MS2; 20 V
MSBNK-BAFG-CSL2311107725
LC-ESI-QTOF; MS2; 30 V
MSBNK-BAFG-CSL2311092771
LC-ESI-QTOF; MS2; 30 V
MSBNK-BAFG-CSL2311107731
LC-ESI-QTOF; MS2; 40 V
MSBNK-BAFG-CSL2311092778
LC-ESI-QTOF; MS2; 40 V
MSBNK-BAFG-CSL2311092780
LC-ESI-QTOF; MS2; 40 V
MSBNK-BAFG-CSL2311107721
LC-ESI-QTOF; MS2; 40 V
MSBNK-BAFG-CSL2311107728
LC-ESI-QTOF; MS2; 50 V
MSBNK-BAFG-CSL2311092768
LC-ESI-QTOF; MS2; 50 V
MSBNK-BAFG-CSL2311107736
LC-ESI-QTOF; MS2; 60 V
MSBNK-BAFG-CSL2311092770
LC-ESI-QTOF; MS2; 60 V
MSBNK-BAFG-CSL2311107734
LC-ESI-QTOF; MS2; 70 V
MSBNK-BAFG-CSL2311092777
LC-ESI-QTOF; MS2; 70 V
MSBNK-BAFG-CSL2311107729
LC-ESI-QTOF; MS2; 80 V
MSBNK-BAFG-CSL2311092776
LC-ESI-QTOF; MS2; 80 V
MSBNK-BAFG-CSL2311107732
LC-ESI-QTOF; MS2; 90 V
MSBNK-BAFG-CSL2311092772
LC-ESI-QTOF; MS2; 90 V
MSBNK-BAFG-CSL2311107733
Abamectin B1a
4 spectra
C48H72O14
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
872.49219
LC-ESI-QQ; MS2; CE:10 V; [M+NH4]+
MSBNK-Waters-WA000011
LC-ESI-QQ; MS2; CE:20 V; [M+NH4]+
MSBNK-Waters-WA000012
LC-ESI-QQ; MS2; CE:30 V; [M+NH4]+
MSBNK-Waters-WA000013
LC-ESI-QQ; MS2; CE:40 V; [M+NH4]+
MSBNK-Waters-WA000014
Abamectin-B1a
2 spectra
C48H72O14
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
872.49219
LC-ESI-QTOF; MS2; 10 V
MSBNK-BAFG-CSL2311106445
LC-ESI-QTOF; MS2; 20 V
MSBNK-BAFG-CSL2311106446
Abietic acid
7 spectra
C20H30O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
302.22458
LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M+H]+
MSBNK-CASMI_2016-SM833703
ABIETIC ACID
1 spectrum
C20H30O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
302.22458
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP011063
Abietic acid
7 spectra
C20H30O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
302.22458
LC-APCI-QTOF; MS; NEGATIVE
MSBNK-Washington_State_Univ-BML80663
LC-APCI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML80662
LC-ESI-QTOF; MS2; CE 10 ev; [M-H]-
MSBNK-Washington_State_Univ-BML00381
LC-ESI-QTOF; MS2; CE 20 ev; [M-H]-
MSBNK-Washington_State_Univ-BML00387
LC-ESI-QTOF; MS; NEGATIVE
MSBNK-Washington_State_Univ-BML80661
LC-ESI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML80660
ABIETIC ACID TRIMETHYLSILYL ESTER
1 spectrum
C23H38O2Si
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
374.26410
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP001059
ABOA
1 spectrum
C9H7NO3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
177.15900
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR311131
Abrine
10 spectra
C12H14N2O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
218.10553
LC-APCI-QTOF; MS; NEGATIVE
MSBNK-Washington_State_Univ-BML80668
LC-APCI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML80667
LC-ESI-QTOF; MS2; CE 10 ev; [M+H]+
MSBNK-Washington_State_Univ-BML00813
LC-ESI-QTOF; MS2; CE 10 ev; [M-H]-
MSBNK-Washington_State_Univ-BML00843
LC-ESI-QTOF; MS2; CE 20 ev; [M+H]+
MSBNK-Washington_State_Univ-BML00823
LC-ESI-QTOF; MS2; CE 20 ev; [M-H]-
MSBNK-Washington_State_Univ-BML00850
LC-ESI-QTOF; MS2; CE 40 ev; [M+H]+
MSBNK-Washington_State_Univ-BML00833
LC-ESI-QTOF; MS2; CE 40 ev; [M-H]-
MSBNK-Washington_State_Univ-BML00857
LC-ESI-QTOF; MS; NEGATIVE
MSBNK-Washington_State_Univ-BML80666
LC-ESI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML80665
Abromine, Trimethylaminoacetic acid, alpha-Earlein...
2 spectra
C5H11NO2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
117.14800
LC-ESI-QTOF; MS2
MSBNK-RIKEN_ReSpect-PT111520
LC-ESI-QTOF; MS2
MSBNK-RIKEN_ReSpect-PT111523
Abromine, Trimethylaminoacetic acid, alpha-Earlein...
6 spectra
C5H11NO2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
117.14800
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS115201
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS115202
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS115203
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS115204
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS115205
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS115206
Abscisic acid
7 spectra
C15H20O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
264.13617
LC-APCI-QTOF; MS; NEGATIVE
MSBNK-Washington_State_Univ-BML80673
LC-APCI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML80672
LC-ESI-QTOF; MS2; CE 10 ev; [M-H]-
MSBNK-Washington_State_Univ-BML00498
LC-ESI-QTOF; MS2; CE 20 ev; [M-H]-
MSBNK-Washington_State_Univ-BML00506
LC-ESI-QTOF; MS2; CE 40 ev; [M-H]-
MSBNK-Washington_State_Univ-BML00514
LC-ESI-QTOF; MS; NEGATIVE
MSBNK-Washington_State_Univ-BML80671
LC-ESI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML80670
Abscisic acid, Abscisate, (S)-5-(1-Hydroxy-2,6,6-t...
4 spectra
C15H20O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
264.32101
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS058401
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS058407
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS058408
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS058409
Ac-Glu, N-Acetyl-DL-glutamic acid, N-Acetylglutama...
2 spectra
C7H11NO5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
189.16701
LC-ESI-QTOF; MS2
MSBNK-RIKEN_ReSpect-PT110460
LC-ESI-QTOF; MS2
MSBNK-RIKEN_ReSpect-PT210460
Ac-Glu, N-Acetyl-DL-glutamic acid, N-Acetylglutama...
4 spectra
C7H11NO5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
189.16701
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS104601
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS104602
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS104603
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS104604
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