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Name
Formula / Structure
ExactMass
ID
FR150011
6 spectra
C24H23NO4S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
421.13477
ESI-QTOF; MS2; CE: 10; [M+H]+
MSBNK-EPA-ENTACT_AGILENT002013
ESI-QTOF; MS2; CE: 10; [M-H]-
MSBNK-EPA-ENTACT_AGILENT002011
ESI-QTOF; MS2; CE: 20; [M+H]+
MSBNK-EPA-ENTACT_AGILENT002012
ESI-QTOF; MS2; CE: 20; [M-H]-
MSBNK-EPA-ENTACT_AGILENT002009
ESI-QTOF; MS2; CE: 40; [M+H]+
MSBNK-EPA-ENTACT_AGILENT002010
ESI-QTOF; MS2; CE: 40; [M-H]-
MSBNK-EPA-ENTACT_AGILENT002014
FR167356
12 spectra
C19H17Cl2NO3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
377.05856
ESI-QTOF; MS2; CE: 10; [M+H]+
MSBNK-EPA-ENTACT_AGILENT002259
ESI-QTOF; MS2; CE: 10; [M-H]-
MSBNK-EPA-ENTACT_AGILENT002262
ESI-QTOF; MS2; CE: 20; [M+H]+
MSBNK-EPA-ENTACT_AGILENT002261
ESI-QTOF; MS2; CE: 20; [M-H]-
MSBNK-EPA-ENTACT_AGILENT002258
ESI-QTOF; MS2; CE: 40; [M+H]+
MSBNK-EPA-ENTACT_AGILENT002260
ESI-QTOF; MS2; CE: 40; [M-H]-
MSBNK-EPA-ENTACT_AGILENT002263
LC-ESI-QFT; MS2; CE: 15; R=17500; [M+H]+
MSBNK-LCSB-LU024501
LC-ESI-QFT; MS2; CE: 30; R=17500; [M+H]+
MSBNK-LCSB-LU024502
LC-ESI-QFT; MS2; CE: 45; R=17500; [M+H]+
MSBNK-LCSB-LU024503
LC-ESI-QFT; MS2; CE: 60; R=17500; [M+H]+
MSBNK-LCSB-LU024504
LC-ESI-QFT; MS2; CE: 75; R=17500; [M+H]+
MSBNK-LCSB-LU024505
LC-ESI-QFT; MS2; CE: 90; R=17500; [M+H]+
MSBNK-LCSB-LU024506
Fraxetin
6 spectra
C10H8O5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
208.03717
LC-APCI-QTOF; MS; NEGATIVE
MSBNK-Washington_State_Univ-BML81263
LC-ESI-QTOF; MS2; CE 10 ev; [M+H]+
MSBNK-Washington_State_Univ-BML00157
LC-ESI-QTOF; MS2; CE 10 ev; [M-H]-
MSBNK-Washington_State_Univ-BML00198
LC-ESI-QTOF; MS2; CE 20 ev; [M-H]-
MSBNK-Washington_State_Univ-BML00211
LC-ESI-QTOF; MS; NEGATIVE
MSBNK-Washington_State_Univ-BML81261
LC-ESI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML81260
Fraxidin
20 spectra
C11H10O5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
222.05280
LC-ESI-ITFT; MS2; CE: 10%; R=15000; [M+H]+
MSBNK-NaToxAq-NA002596
LC-ESI-ITFT; MS2; CE: 100%; R=15000; [M+H]+
MSBNK-NaToxAq-NA003732
LC-ESI-ITFT; MS2; CE: 105%; R=15000; [M+H]+
MSBNK-NaToxAq-NA003733
LC-ESI-ITFT; MS2; CE: 15%; R=15000; [M+H]+
MSBNK-NaToxAq-NA002597
LC-ESI-ITFT; MS2; CE: 20%; R=15000; [M+H]+
MSBNK-NaToxAq-NA002598
LC-ESI-ITFT; MS2; CE: 25%; R=15000; [M+H]+
MSBNK-NaToxAq-NA002599
LC-ESI-ITFT; MS2; CE: 30%; R=15000; [M+H]+
MSBNK-NaToxAq-NA002600
LC-ESI-ITFT; MS2; CE: 35%; R=15000; [M+H]+
MSBNK-NaToxAq-NA002984
LC-ESI-ITFT; MS2; CE: 40%; R=15000; [M+H]+
MSBNK-NaToxAq-NA002985
LC-ESI-ITFT; MS2; CE: 45%; R=15000; [M+H]+
MSBNK-NaToxAq-NA002986
LC-ESI-ITFT; MS2; CE: 50%; R=15000; [M+H]+
MSBNK-NaToxAq-NA002987
LC-ESI-ITFT; MS2; CE: 55%; R=15000; [M+H]+
MSBNK-NaToxAq-NA002988
LC-ESI-ITFT; MS2; CE: 60%; R=15000; [M+H]+
MSBNK-NaToxAq-NA003359
LC-ESI-ITFT; MS2; CE: 65%; R=15000; [M+H]+
MSBNK-NaToxAq-NA003360
LC-ESI-ITFT; MS2; CE: 70%; R=15000; [M+H]+
MSBNK-NaToxAq-NA003361
LC-ESI-ITFT; MS2; CE: 75%; R=15000; [M+H]+
MSBNK-NaToxAq-NA003362
LC-ESI-ITFT; MS2; CE: 80%; R=15000; [M+H]+
MSBNK-NaToxAq-NA003363
LC-ESI-ITFT; MS2; CE: 85%; R=15000; [M+H]+
MSBNK-NaToxAq-NA003729
LC-ESI-ITFT; MS2; CE: 90%; R=15000; [M+H]+
MSBNK-NaToxAq-NA003730
LC-ESI-ITFT; MS2; CE: 95%; R=15000; [M+H]+
MSBNK-NaToxAq-NA003731
Fraxin
5 spectra
C16H18O10
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
370.31589
LC-ESI-QQQ; MS2; Frag=135.0V CID@10.0; [M+Na]+
MSBNK-RIKEN_NPDepo-NGA01255
LC-ESI-QQQ; MS2; Frag=135.0V CID@15.0; [M+Na]+
MSBNK-RIKEN_NPDepo-NGA01254
LC-ESI-QQQ; MS2; Frag=135.0V CID@25.0; [M+Na]+
MSBNK-RIKEN_NPDepo-NGA01253
LC-ESI-QQQ; MS2; Frag=135.0V CID@5.0; [M+Na]+
MSBNK-RIKEN_NPDepo-NGA01256
LC-ESI-QQQ; MS; [M+H]+
MSBNK-RIKEN_NPDepo-CB000239
Frequentin
5 spectra
C14H20O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
252.13615
LC-ESI-ITFT; MS2; CE: 10; R=17500; [M+H]+
MSBNK-AAFC-AC000135
LC-ESI-ITFT; MS2; CE: 20; R=17500; [M+H]+
MSBNK-AAFC-AC000136
LC-ESI-ITFT; MS2; CE: 30; R=17500; [M+H]+
MSBNK-AAFC-AC000137
LC-ESI-ITFT; MS2; CE: 35; R=17500; [M+H]+
MSBNK-AAFC-AC000138
LC-ESI-ITFT; MS2; CE: 40; R=17500; [M+H]+
MSBNK-AAFC-AC000139
Fritschiellaxanthin
1 spectrum
C40H54O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
582.40729
FAB-EBEB; MS2; m/z: 582.41; [M]*+
MSBNK-Kyoto_Univ-CA000150
Fru(beta2-1alpha)Glc, alpha-D-Glucopyranosyl beta-...
1 spectrum
C12H22O11
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
342.29700
LC-ESI-QTOF; MS2
MSBNK-RIKEN_ReSpect-PT200600
Fru(beta2-1alpha)Glc, alpha-D-Glucopyranosyl beta-...
2 spectra
C12H22O11
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
342.29700
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS006007
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS006008
Fructose (Generic Ketohexose)
3 spectra
C6H12O6
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
180.06339
LC-APCI-QTOF; MS; NEGATIVE
MSBNK-Washington_State_Univ-BML81268
LC-ESI-QTOF; MS; NEGATIVE
MSBNK-Washington_State_Univ-BML81266
LC-ESI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML81265
Fructose 1,6-diphosphate
10 spectra
C6H14O12P2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
339.99606
LC-ESI-QQ; MS2; CE:10 V; [M+H]+
MSBNK-Keio_Univ-KO002879
LC-ESI-QQ; MS2; CE:10 V; [M-H]-
MSBNK-Keio_Univ-KO000749
LC-ESI-QQ; MS2; CE:20 V; [M+H]+
MSBNK-Keio_Univ-KO002880
LC-ESI-QQ; MS2; CE:20 V; [M-H]-
MSBNK-Keio_Univ-KO000750
LC-ESI-QQ; MS2; CE:30 V; [M+H]+
MSBNK-Keio_Univ-KO002881
LC-ESI-QQ; MS2; CE:30 V; [M-H]-
MSBNK-Keio_Univ-KO000751
LC-ESI-QQ; MS2; CE:40 V; [M+H]+
MSBNK-Keio_Univ-KO002882
LC-ESI-QQ; MS2; CE:40 V; [M-H]-
MSBNK-Keio_Univ-KO000752
LC-ESI-QQ; MS2; CE:50 V; [M+H]+
MSBNK-Keio_Univ-KO002883
LC-ESI-QQ; MS2; CE:50 V; [M-H]-
MSBNK-Keio_Univ-KO000753
Fructose 1-phosphate
5 spectra
C6H13O9P
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
260.02972
LC-ESI-QQ; MS2; CE:10 V; [M-H]-
MSBNK-Keio_Univ-KO000754
LC-ESI-QQ; MS2; CE:20 V; [M-H]-
MSBNK-Keio_Univ-KO000755
LC-ESI-QQ; MS2; CE:30 V; [M-H]-
MSBNK-Keio_Univ-KO000756
LC-ESI-QQ; MS2; CE:40 V; [M-H]-
MSBNK-Keio_Univ-KO000757
LC-ESI-QQ; MS2; CE:50 V; [M-H]-
MSBNK-Keio_Univ-KO000758
Fructose 2,6-diphosphate
5 spectra
C6H14O12P2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
339.99606
LC-ESI-QQ; MS2; CE:10 V; [M-H]-
MSBNK-Keio_Univ-KO000759
LC-ESI-QQ; MS2; CE:20 V; [M-H]-
MSBNK-Keio_Univ-KO000760
LC-ESI-QQ; MS2; CE:30 V; [M-H]-
MSBNK-Keio_Univ-KO000761
LC-ESI-QQ; MS2; CE:40 V; [M-H]-
MSBNK-Keio_Univ-KO000762
LC-ESI-QQ; MS2; CE:50 V; [M-H]-
MSBNK-Keio_Univ-KO000763
FucGlcNAcGA
3 spectra
C16H27NO11
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
409.15842
LC-ESI-QQ; MS2; CE:10V; [M+H]+
MSBNK-Fukuyama_Univ-FU000281
LC-ESI-QQ; MS2; CE:15V; [M+H]+
MSBNK-Fukuyama_Univ-FU000282
LC-ESI-QQ; MS2; CE:5V; [M+H]+
MSBNK-Fukuyama_Univ-FU000280
FucGlcNAcThrNAc
3 spectra
C20H34N2O13
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
510.20609
LC-ESI-QQ; MS2; CE:15V; [M+H]+
MSBNK-Fukuyama_Univ-FU000265
LC-ESI-QQ; MS2; CE:20V; [M+H]+
MSBNK-Fukuyama_Univ-FU000266
LC-ESI-QQ; MS2; CE:25V; [M+H]+
MSBNK-Fukuyama_Univ-FU000267
FUCOSTEROL
1 spectrum
C29H48O
412.37051
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP002698
FUCOSTEROL METHYL ETHER
1 spectrum
C30H50O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
426.38617
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP002705
Fucoxanthin
4 spectra
C42H58O6
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
658.42334
FAB-EBEB; MS2; m/z: 658.42; [M]+*
MSBNK-Kyoto_Univ-CA000057
LC-ESI-QTOF; MS2; POSITIVE; ESI; [M+H]+; CE 20 V
MSBNK-MSSJ-MSJ00127
LC-ESI-QTOF; MS2; POSITIVE; ESI; [M+H]+; COLLISION_ENERGY 10 V
MSBNK-MSSJ-MSJ00146
LC-ESI-QTOF; MS2; POSITIVE; ESI; [M+H]+; COLLISION_ENERGY 30 V
MSBNK-MSSJ-MSJ00147
Fucoxanthinol
1 spectrum
C40H56O5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
616.41278
FAB-EBEB; MS2; m/z: 616.41; [M]*+
MSBNK-Kyoto_Univ-CA000151
Fukugetin
4 spectra
C30H20O11
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
556.10059
LC-ESI-ITTOF; MS2; [M+H]+
MSBNK-Univ_Toyama-TY000183
LC-ESI-ITTOF; MS2; [M-H]-
MSBNK-Univ_Toyama-TY000184
LC-ESI-ITTOF; MS; [M+H]+
MSBNK-Univ_Toyama-TY000181
LC-ESI-ITTOF; MS; [M-H]-
MSBNK-Univ_Toyama-TY000182
Fulvic acid
12 spectra
C14H12O8
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
308.05319
LC-ESI-ITFT; MS2; CE: 15%; R=7500; [M+H]+
MSBNK-HBM4EU-HB003948
LC-ESI-ITFT; MS2; CE: 15%; R=7500; [M-H]-
MSBNK-HBM4EU-HB003472
LC-ESI-ITFT; MS2; CE: 20%; R=7500; [M+H]+
MSBNK-HBM4EU-HB003949
LC-ESI-ITFT; MS2; CE: 20%; R=7500; [M-H]-
MSBNK-HBM4EU-HB003473
LC-ESI-ITFT; MS2; CE: 30%; R=7500; [M+H]+
MSBNK-HBM4EU-HB003950
LC-ESI-ITFT; MS2; CE: 30%; R=7500; [M-H]-
MSBNK-HBM4EU-HB003474
LC-ESI-ITFT; MS2; CE: 40%; R=7500; [M+H]+
MSBNK-HBM4EU-HB003951
LC-ESI-ITFT; MS2; CE: 40%; R=7500; [M-H]-
MSBNK-HBM4EU-HB003475
LC-ESI-ITFT; MS2; CE: 50%; R=7500; [M+H]+
MSBNK-HBM4EU-HB003952
LC-ESI-ITFT; MS2; CE: 50%; R=7500; [M-H]-
MSBNK-HBM4EU-HB003476
LC-ESI-ITFT; MS2; CE: 60%; R=7500; [M+H]+
MSBNK-HBM4EU-HB003953
LC-ESI-ITFT; MS2; CE: 60%; R=7500; [M-H]-
MSBNK-HBM4EU-HB003477
Fumagillin
11 spectra
C26H34O7
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
458.23050
LC-ESI-ITFT; MS2; CE: 15%; R=7500; [M+H]+
MSBNK-HBM4EU-HB003783
LC-ESI-ITFT; MS2; CE: 15%; R=7500; [M-H]-
MSBNK-HBM4EU-HB003299
LC-ESI-ITFT; MS2; CE: 20%; R=7500; [M-H]-
MSBNK-HBM4EU-HB003300
LC-ESI-ITFT; MS2; CE: 30%; R=7500; [M+H]+
MSBNK-HBM4EU-HB003784
LC-ESI-ITFT; MS2; CE: 30%; R=7500; [M-H]-
MSBNK-HBM4EU-HB003301
LC-ESI-ITFT; MS2; CE: 40%; R=7500; [M+H]+
MSBNK-HBM4EU-HB003785
LC-ESI-ITFT; MS2; CE: 40%; R=7500; [M-H]-
MSBNK-HBM4EU-HB003302
LC-ESI-ITFT; MS2; CE: 50%; R=7500; [M+H]+
MSBNK-HBM4EU-HB003786
LC-ESI-ITFT; MS2; CE: 50%; R=7500; [M-H]-
MSBNK-HBM4EU-HB003303
LC-ESI-ITFT; MS2; CE: 60%; R=7500; [M+H]+
MSBNK-HBM4EU-HB003787
LC-ESI-ITFT; MS2; CE: 60%; R=7500; [M-H]-
MSBNK-HBM4EU-HB003304
FUMARIC ACID
1 spectrum
C4H4O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
116.01096
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP004047
Fumaric acid
13 spectra
C4H4O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
116.01096
EI-B; MS; 2 TMS; RT: 493.33 s
MSBNK-GL_Sciences_Inc-GLS00174
GC-EI-Q; MS; POSITIVE; 2 TBDMS-derivative
MSBNK-MSSJ-MSJ00711
GC-EI-Q; MS; POSITIVE; 2 TMS-derivative
MSBNK-MSSJ-MSJ00692
GC-EI-QQ; MS2; POSITIVE; CID 10 V; 2 TBDMS-derivative; [M-57]+
MSBNK-MSSJ-MSJ00763
GC-EI-QQ; MS2; POSITIVE; CID 10 V; 2 TMS-derivative; [M-15]+
MSBNK-MSSJ-MSJ00730
GC-EI-TOF; MS; 2 TMS; BP:245
MSBNK-Kazusa-KZ000030
GC-EI-TOF; MS; 2 TMS; BP:245
MSBNK-Kazusa-KZ000136
GC-EI-TOF; MS; 2 TMS; BP:245
MSBNK-Kazusa-KZ000137
GC-EI-TOF; MS; 2 TMS; BP:73
MSBNK-RIKEN-PR010157
GC-EI-TOF; MS; n TMS; RT:470.094 sec
MSBNK-Osaka_Univ-OUF00233
LC-ESI-QFT; MS2; CE: 15; R=17500; [M-H]-
MSBNK-LCSB-LU054551
LC-ESI-QFT; MS2; CE: 30; R=17500; [M-H]-
MSBNK-LCSB-LU054552
LC-ESI-QFT; MS2; CE: 45; R=17500; [M-H]-
MSBNK-LCSB-LU054553
Fumaric acid (not validated)
1 spectrum
C4H4O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
116.07200
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR309121
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