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Name
Formula / Structure
ExactMass
ID
4-ETHYLQUINOLINE
1 spectrum
C11H11N
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
157.08916
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP007812
4-ETHYLTHIO-5-METHYL-9-(3-OXOBUTYL)-2-OXATRICYCLO(...
1 spectrum
C16H24O3S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
296.14462
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP004378
4-ETHYLTOLUENE
1 spectrum
C9H12
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
120.09390
CI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP012259
4-Flavanone, Flva, 2,3-dihydroflavone, 2-Phenylchr...
4 spectra
C15H12O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
224.25900
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS039901
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS039902
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS039903
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS039904
4-Fluoraniline
1 spectrum
C6H6FN
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
111.04843
LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M+H]+
MSBNK-CASMI_2016-SM805401
4-Fluoro-3-nitroaniline
3 spectra
C6H5FN2O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
156.03351
ESI-QTOF; MS2; CE: 10; [M-H]-
MSBNK-EPA-ENTACT_AGILENT000697
ESI-QTOF; MS2; CE: 20; [M-H]-
MSBNK-EPA-ENTACT_AGILENT000698
ESI-QTOF; MS2; CE: 40; [M-H]-
MSBNK-EPA-ENTACT_AGILENT000699
4-FLUOROACETOPHENONE
1 spectrum
C8H7FO
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
138.04810
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP003743
4-Fluoroaniline
5 spectra
C6H6FN
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
111.04843
LC-ESI-QQ; MS2; CE:10 V; [M+H]+
MSBNK-Keio_Univ-KO002909
LC-ESI-QQ; MS2; CE:20 V; [M+H]+
MSBNK-Keio_Univ-KO002910
LC-ESI-QQ; MS2; CE:30 V; [M+H]+
MSBNK-Keio_Univ-KO002911
LC-ESI-QQ; MS2; CE:40 V; [M+H]+
MSBNK-Keio_Univ-KO002912
LC-ESI-QQ; MS2; CE:50 V; [M+H]+
MSBNK-Keio_Univ-KO002913
4-Fluorobenzoic acid
5 spectra
C7H5FO2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
140.02736
LC-ESI-QQ; MS2; CE:10 V; [M-H]-
MSBNK-Keio_Univ-KO000779
LC-ESI-QQ; MS2; CE:20 V; [M-H]-
MSBNK-Keio_Univ-KO000780
LC-ESI-QQ; MS2; CE:30 V; [M-H]-
MSBNK-Keio_Univ-KO000781
LC-ESI-QQ; MS2; CE:40 V; [M-H]-
MSBNK-Keio_Univ-KO000782
LC-ESI-QQ; MS2; CE:50 V; [M-H]-
MSBNK-Keio_Univ-KO000783
4-FLUOROBENZOPHENONE
1 spectrum
C13H9FO
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
200.06374
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP011176
4-Fluorobenzoylpropionic acid
8 spectra
C10H9FO3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
196.05357
LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M+H]+
MSBNK-CASMI_2016-SM854306
LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M-H]-
MSBNK-CASMI_2016-SM854355
LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU272401
LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU272402
LC-ESI-QTOF; MS2; CE: 30 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU272403
LC-ESI-QTOF; MS2; CE: 40 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU272404
LC-ESI-QTOF; MS2; CE: 50 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU272405
LC-ESI-QTOF; MS2; CE: Ramp 17.9-26.8 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU272406
4-FLUOROBENZYL BENZOATE
1 spectrum
C14H11FO2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
230.07431
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP009674
4-FLUOROBUTYROPHENONE
1 spectrum
C10H11FO
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
166.07939
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP003745
4-FLUOROPHENOL
1 spectrum
C6H5FO
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
112.03244
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP011777
4-FLUOROPHENYL METHYL KETONE
1 spectrum
C8H7FO
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
138.04810
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP009605
4-FLUOROPROPIOPHENONE
1 spectrum
C9H9FO
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
152.06374
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP003744
4-FORMYL-2,5-DIMETHOXY-6-METHYLTROPONE
1 spectrum
C11H12O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
208.07356
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP011038
4-FORMYL-7-METHOXYCOUMARIN
1 spectrum
C11H8O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
204.04227
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP006688
4-Formyl-antipyrine
10 spectra
C12H12N2O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
216.08990
LC-ESI-ITFT; MS2; CE: 35; R=15000; [M+H]+
MSBNK-UFZ-UF410703
LC-ESI-ITFT; MS2; CE: 55; R=15000; [M+H]+
MSBNK-UFZ-UF410701
LC-ESI-ITFT; MS2; CE: 55; R=15000; [M+H]+
MSBNK-UFZ-UF410704
LC-ESI-ITFT; MS2; CE: 80; R=15000; [M+H]+
MSBNK-UFZ-UF410702
LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU266701
LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU266702
LC-ESI-QTOF; MS2; CE: 30 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU266703
LC-ESI-QTOF; MS2; CE: 40 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU266704
LC-ESI-QTOF; MS2; CE: 50 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU266705
LC-ESI-QTOF; MS2; CE: Ramp 18.6-27.9 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU266706
4-Formylaminoantipyrine
35 spectra
C12H13N3O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
231.10080
LC-ESI-ITFT; MS2; CE: 15%; R=15000; [M+H]+
MSBNK-Eawag-EA103808
LC-ESI-ITFT; MS2; CE: 15%; R=7500; [M+H]+
MSBNK-Eawag-EA103802
LC-ESI-ITFT; MS2; CE: 30%; R=15000; [M+H]+
MSBNK-Eawag-EA103809
LC-ESI-ITFT; MS2; CE: 30%; R=7500; [M+H]+
MSBNK-Eawag-EA103803
LC-ESI-ITFT; MS2; CE: 35%; R=30000; [M+H]+
MSBNK-Eawag-EA103814
LC-ESI-ITFT; MS2; CE: 35%; R=7500; [M+H]+
MSBNK-Eawag-EA103801
LC-ESI-ITFT; MS2; CE: 45%; R=15000; [M+H]+
MSBNK-Eawag-EA103810
LC-ESI-ITFT; MS2; CE: 45%; R=7500; [M+H]+
MSBNK-Eawag-EA103804
LC-ESI-ITFT; MS2; CE: 60%; R=15000; [M+H]+
MSBNK-Eawag-EA103811
LC-ESI-ITFT; MS2; CE: 60%; R=7500; [M+H]+
MSBNK-Eawag-EA103805
LC-ESI-ITFT; MS2; CE: 75%; R=15000; [M+H]+
MSBNK-Eawag-EA103812
LC-ESI-ITFT; MS2; CE: 75%; R=7500; [M+H]+
MSBNK-Eawag-EA103806
LC-ESI-ITFT; MS2; CE: 90%; R=30000; [M+H]+
MSBNK-Eawag-EA103813
LC-ESI-ITFT; MS2; CE: 90%; R=7500; [M+H]+
MSBNK-Eawag-EA103807
LC-ESI-QTOF; MS2; 10 V
MSBNK-BAFG-CSL2311093980
LC-ESI-QTOF; MS2; 100 V
MSBNK-BAFG-CSL2311093984
LC-ESI-QTOF; MS2; 110 V
MSBNK-BAFG-CSL2311093992
LC-ESI-QTOF; MS2; 120 V
MSBNK-BAFG-CSL2311093978
LC-ESI-QTOF; MS2; 130 V
MSBNK-BAFG-CSL2311093988
LC-ESI-QTOF; MS2; 140 V
MSBNK-BAFG-CSL2311093991
LC-ESI-QTOF; MS2; 150 V
MSBNK-BAFG-CSL2311093981
LC-ESI-QTOF; MS2; 20 V
MSBNK-BAFG-CSL2311093985
LC-ESI-QTOF; MS2; 30 V
MSBNK-BAFG-CSL2311093986
LC-ESI-QTOF; MS2; 40 V
MSBNK-BAFG-CSL2311093979
LC-ESI-QTOF; MS2; 40 V
MSBNK-BAFG-CSL2311093987
LC-ESI-QTOF; MS2; 50 V
MSBNK-BAFG-CSL2311093990
LC-ESI-QTOF; MS2; 60 V
MSBNK-BAFG-CSL2311093989
LC-ESI-QTOF; MS2; 70 V
MSBNK-BAFG-CSL2311093983
LC-ESI-QTOF; MS2; 80 V
MSBNK-BAFG-CSL2311093982
LC-ESI-QTOF; MS2; 90 V
MSBNK-BAFG-CSL2311093977
LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU200601
LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU200602
LC-ESI-QTOF; MS2; CE: 30 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU200603
LC-ESI-QTOF; MS2; CE: 40 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU200604
LC-ESI-QTOF; MS2; CE: 50 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU200605
4-GlcNAc3Man3GlcNAc2
3 spectra
C58H97N5O41
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
1519.56592
LC-ESI-QQ; MS2; CE:25V; Amide
MSBNK-Fukuyama_Univ-FU000193
LC-ESI-QQ; MS2; CE:30V; Amide
MSBNK-Fukuyama_Univ-FU000194
LC-ESI-QQ; MS2; CE:35V; Amide
MSBNK-Fukuyama_Univ-FU000195
4-guanidinobutanoic acid
2 spectra
C5H11N3O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
145.08510
LC-ESI-ITFT; MS2; CE: 50%; R=7500; [M+H]+
MSBNK-MetaboLights-ML001501
LC-ESI-ITFT; MS2; CE: 50%; R=7500; [M-H]-
MSBNK-MetaboLights-ML001551
4-HDoHE
9 spectra
C22H32O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
344.23514
LC-ESI-QIT; MS2; CE:10 V; [M-H]-
MSBNK-Chubu_Univ-UT000154
LC-ESI-QIT; MS2; CE:15 V; [M-H]-
MSBNK-Chubu_Univ-UT000155
LC-ESI-QIT; MS2; CE:20 V; [M-H]-
MSBNK-Chubu_Univ-UT000156
LC-ESI-QIT; MS2; CE:25 V; [M-H]-
MSBNK-Chubu_Univ-UT000157
LC-ESI-QIT; MS2; CE:30 V; [M-H]-
MSBNK-Chubu_Univ-UT000158
LC-ESI-QIT; MS2; CE:35 V; [M-H]-
MSBNK-Chubu_Univ-UT000159
LC-ESI-QIT; MS2; CE:40 V; [M-H]-
MSBNK-Chubu_Univ-UT000160
LC-ESI-QIT; MS2; CE:45 V; [M-H]-
MSBNK-Chubu_Univ-UT000161
LC-ESI-QIT; MS2; CE:50 V; [M-H]-
MSBNK-Chubu_Univ-UT000162
4-HEPTANONE
2 spectra
C7H14O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
114.10447
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP000269
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP006454
4-Hexylaniline
9 spectra
C12H19N
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
177.15175
ESI-QTOF; MS2; CE: 10; [M+H]+
MSBNK-EPA-ENTACT_AGILENT000130
ESI-QTOF; MS2; CE: 20; [M+H]+
MSBNK-EPA-ENTACT_AGILENT000131
ESI-QTOF; MS2; CE: 40; [M+H]+
MSBNK-EPA-ENTACT_AGILENT000132
LC-ESI-QFT; MS2; CE: 15; R=17500; [M+H]+
MSBNK-LCSB-LU062101
LC-ESI-QFT; MS2; CE: 30; R=17500; [M+H]+
MSBNK-LCSB-LU062102
LC-ESI-QFT; MS2; CE: 45; R=17500; [M+H]+
MSBNK-LCSB-LU062103
LC-ESI-QFT; MS2; CE: 60; R=17500; [M+H]+
MSBNK-LCSB-LU062104
LC-ESI-QFT; MS2; CE: 75; R=17500; [M+H]+
MSBNK-LCSB-LU062105
LC-ESI-QFT; MS2; CE: 90; R=17500; [M+H]+
MSBNK-LCSB-LU062106
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