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Name
Formula / Structure
ExactMass
ID
(+-)-3-Methyl-2-oxovaleric acid sodium salt
4 spectra
C6H10O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
130.14301
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS001601
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS001602
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS001603
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS001607
(+-)-3-METHYL-2-PYRROLIDINONE
1 spectrum
C5H9NO
99.06841
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP010404
(+-)-alpha-Tocopherol
1 spectrum
C29H50O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
430.38107
GC-EI-TOF; MS; 1 TMS; BP:73
MSBNK-RIKEN-PR010089
(+-)-alpha-Tocopherol, DL-all-rac-alpha-Tocopherol...
6 spectra
C29H50O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
430.71701
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS001801
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS001802
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS001803
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS001804
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS001805
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS001806
(+-)-Baclofen
13 spectra
C10H12ClNO2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
213.05566
LC-ESI-IT; MS2; m/z: 214; [M+H]+
MSBNK-Keio_Univ-KO008869
LC-ESI-IT; MS3; m/z: 214/141; [M+H]+
MSBNK-Keio_Univ-KO008873
LC-ESI-IT; MS3; m/z: 214/151; [M+H]+
MSBNK-Keio_Univ-KO008872
LC-ESI-IT; MS3; m/z: 214/158; [M+H]+
MSBNK-Keio_Univ-KO008871
LC-ESI-IT; MS3; m/z: 214/179; [M+H]+
MSBNK-Keio_Univ-KO008870
LC-ESI-QQ; MS2; CE:10 V; [M+H]+
MSBNK-Keio_Univ-KO002453
LC-ESI-QQ; MS2; CE:20 V; [M+H]+
MSBNK-Keio_Univ-KO002454
LC-ESI-QQ; MS2; CE:30 V; [M+H]+
MSBNK-Keio_Univ-KO002455
LC-ESI-QQ; MS2; CE:40 V; [M+H]+
MSBNK-Keio_Univ-KO002456
LC-ESI-QQ; MS2; CE:50 V; [M+H]+
MSBNK-Keio_Univ-KO002457
LC-ESI-QTOF; MS2; CE:30 V; [M+H]+
MSBNK-RIKEN-PR100008
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+
MSBNK-RIKEN-PR100007
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
MSBNK-RIKEN-PR100486
(+-)-DIHYDROYASHABUSHIKETOL
1 spectrum
C19H22O2
282.16199
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP010209
(+-)-GINGEROL
1 spectrum
C17H26O4
294.18311
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP010206
(+-)-WARFARIN
1 spectrum
C19H16O4
308.10486
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP011925
(+-)-YASHABUSHIKETOL
1 spectrum
C19H20O2
280.14633
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP010208
(+/-) Salsolinol
4 spectra
C10H13NO2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
179.09464
LC-ESI-QTOF; MS2; CE:10 eV; [M+H]+
MSBNK-IPB_Halle-PB006021
LC-ESI-QTOF; MS2; CE:15 eV; [M+H]+
MSBNK-IPB_Halle-PB006041
LC-ESI-QTOF; MS2; CE:20 eV; [M+H]+
MSBNK-IPB_Halle-PB006042
LC-ESI-QTOF; MS2; CE:30 eV; [M+H]+
MSBNK-IPB_Halle-PB006043
(+/-)-Apomorphinee
6 spectra
C17H17NO2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
267.12592
ESI-QTOF; MS2; CE: 10; [M+H]+
MSBNK-EPA-ENTACT_AGILENT001031
ESI-QTOF; MS2; CE: 10; [M-H]-
MSBNK-EPA-ENTACT_AGILENT001035
ESI-QTOF; MS2; CE: 20; [M+H]+
MSBNK-EPA-ENTACT_AGILENT001036
ESI-QTOF; MS2; CE: 20; [M-H]-
MSBNK-EPA-ENTACT_AGILENT001034
ESI-QTOF; MS2; CE: 40; [M+H]+
MSBNK-EPA-ENTACT_AGILENT001033
ESI-QTOF; MS2; CE: 40; [M-H]-
MSBNK-EPA-ENTACT_AGILENT001032
(+/-)-Camphor
5 spectra
C10H16O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
152.12010
GC-APCI-QTOF; MS2; CE: 10 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU504301
GC-APCI-QTOF; MS2; CE: 20 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU504302
GC-APCI-QTOF; MS2; CE: 30 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU504303
GC-APCI-QTOF; MS2; CE: 40 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU504304
GC-APCI-QTOF; MS2; CE: 50 eV; R=35000; [M+H]+
MSBNK-Athens_Univ-AU504305
(+/-)-Catechin
5 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
LC-ESI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML80050
(+/-)-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
(+/-)-trans-2,3-Epoxy-1-octanol
2 spectra
C8H16O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
144.11504
GC-EI-TOF; MS; positive; EI; 70 V
MSBNK-MSSJ-MSJ02035
GC-FI-TOF; MS; positive; FI; 10 kV
MSBNK-MSSJ-MSJ02036
(-)-2,6,6-TRIMETHYL-2(R)-VINYL-5(R)-ACETOXYTETRAHY...
1 spectrum
C12H20O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
212.14124
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP010697
(-)-2,6,6-TRIMETHYL-2(R)-VINYL-5(R)-HYDROXYTETRAHY...
1 spectrum
C10H18O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
170.13068
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP010696
(-)-2,6,6-TRIMETHYL-2(R)-VINYLTETRAHYDROPYRAN-5-ON...
1 spectrum
C10H16O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
168.11504
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP010698
(-)-2-[(1S,2S)-1,2-Dimethyl-3-methylenecyclopentyl...
2 spectra
C20H30O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
334.21442
GC-EI-TOF; MS; positive; EI; 70 V
MSBNK-MSSJ-MSJ00680
GC-FI-TOF; MS; positive; FI; 10 kV
MSBNK-MSSJ-MSJ00681
(-)-B-Hydrastine
11 spectra
C21H21NO6
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
383.39999
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301187
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301194
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301198
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301202
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301206
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301213
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301217
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301221
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301225
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301229
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR310433
(-)-Bilobalide
7 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-APCI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML80012
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
LC-ESI-QTOF; MS; POSITIVE
MSBNK-Washington_State_Univ-BML80010
(-)-CINCHONIDINE
1 spectrum
C19H22N2O
294.17322
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP011635
(-)-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
(-)-Curcumol
5 spectra
C15H24O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
236.17763
LC-ESI-QTOF; MS2; [M+H]+; CE: 10eV
MSBNK-Fiocruz-FIO01064
LC-ESI-QTOF; MS2; [M+H]+; CE: 20eV
MSBNK-Fiocruz-FIO01065
LC-ESI-QTOF; MS2; [M+H]+; CE: 30eV
MSBNK-Fiocruz-FIO01066
LC-ESI-QTOF; MS2; [M+H]+; CE: 40eV
MSBNK-Fiocruz-FIO01067
LC-ESI-QTOF; MS2; [M+H]+; CE: 50eV
MSBNK-Fiocruz-FIO01068
(-)-Eburnamonine
13 spectra
C19H22N2O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
294.39801
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301496
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301500
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301504
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301507
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301511
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301515
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301519
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301523
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301527
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301531
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301535
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR301538
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR310568
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