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Compound Name:
S
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5,547 Hit.
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Name
Formula / Structure
ExactMass
ID
S(8-8)S hexoside
1 spectrum
C28H36O13
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
580.58301
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR309177
S,R-Noscapine
9 spectra
C22H23NO7
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
413.14746
LC-ESI-ITFT; MS2; CE 35 eV; [M+H]+
MSBNK-MPI_for_Chemical_Ecology-CE000163
LC-ESI-ITFT; MS2; CE 45 eV; [M+H]+
MSBNK-MPI_for_Chemical_Ecology-CE000164
LC-ESI-ITFT; MS2; CE 55 eV; [M+H]+
MSBNK-MPI_for_Chemical_Ecology-CE000165
LC-ESI-ITFT; MS2; CE 70 eV; [M+H]+
MSBNK-MPI_for_Chemical_Ecology-CE000166
LC-ESI-ITFT; MS; [M+H]+; isotope pattern
MSBNK-MPI_for_Chemical_Ecology-CE000167
LC-ESI-QTOF; MS2; CE:10 eV; [M+H]+
MSBNK-IPB_Halle-PB005905
LC-ESI-QTOF; MS2; CE:15 eV; [M+H]+
MSBNK-IPB_Halle-PB005906
LC-ESI-QTOF; MS2; CE:20 eV; [M+H]+
MSBNK-IPB_Halle-PB005907
LC-ESI-QTOF; MS2; CE:30 eV; [M+H]+
MSBNK-IPB_Halle-PB005908
S-(2,5-DIACETOXY-3,4,6-TRIMETHYL-PHENYLMETHYL)THIO...
1 spectrum
C16H20O5S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
324.10315
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP009971
S-(2-Amino-2-carboxyethyl)homocysteine, DL,DL-allo...
5 spectra
C7H14N2O4S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
222.26401
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS018701
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS018702
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS018703
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS018704
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS018705
S-(2-Amino-2-carboxyethyl)homocysteine, DL,DL-allo...
3 spectra
C7H14N2O4S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
222.26401
LC-ESI-QTOF; MS2
MSBNK-RIKEN_ReSpect-PT101870
LC-ESI-QTOF; MS2
MSBNK-RIKEN_ReSpect-PT101873
LC-ESI-QTOF; MS2
MSBNK-RIKEN_ReSpect-PT201870
S-(2-Carboxypropyl)glutathione
1 spectrum
C14H23N3O8S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
393.41599
LC-ESI-QTOF; MS2
MSBNK-RIKEN-PR309068
S-(beta-Amino-beta-carboxyethyl)homocysteine, L(+)...
6 spectra
C7H14N2O4S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
222.26401
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS066501
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS066502
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS066503
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS066504
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS066505
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS066506
S-4-(2-oxo-butyl)glutathione
1 spectrum
C14H23N3O7S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
377.12567
LC-ESI-QQ; MS2; Positive; [M+H]+
MSBNK-MSSJ-MSJ00056
S-Adenosyl-L-homocysteine
18 spectra
C14H20N6O5S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
384.12158
LC-ESI-ITFT; MS2; m/z:134.05; NEG
MSBNK-NAIST-KNA00625
LC-ESI-ITFT; MS2; m/z:134.05; NEG
MSBNK-NAIST-KNA00713
LC-ESI-ITFT; MS2; m/z:193.07; POS
MSBNK-NAIST-KNA00229
LC-ESI-ITFT; MS2; m/z:193.07; POS
MSBNK-NAIST-KNA00313
LC-ESI-ITFT; MS2; m/z:244.09; POS
MSBNK-NAIST-KNA00230
LC-ESI-ITFT; MS2; m/z:268.10; POS
MSBNK-NAIST-KNA00314
LC-ESI-ITFT; MS2; m/z:383.11; NEG
MSBNK-NAIST-KNA00626
LC-ESI-ITFT; MS2; m/z:383.11; NEG
MSBNK-NAIST-KNA00714
LC-ESI-ITFT; MS2; m/z:385.13; POS
MSBNK-NAIST-KNA00231
LC-ESI-ITFT; MS2; m/z:385.13; POS
MSBNK-NAIST-KNA00315
LC-ESI-ITFT; MS2; m/z:767.24; NEG
MSBNK-NAIST-KNA00627
LC-ESI-ITFT; MS2; m/z:767.24; NEG
MSBNK-NAIST-KNA00715
LC-ESI-ITFT; MS; NEG
MSBNK-NAIST-KNA00624
LC-ESI-ITFT; MS; NEG
MSBNK-NAIST-KNA00712
LC-ESI-ITFT; MS; POS
MSBNK-NAIST-KNA00228
LC-ESI-ITFT; MS; POS
MSBNK-NAIST-KNA00312
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+
MSBNK-RIKEN-PR100198
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
MSBNK-RIKEN-PR100604
S-Adenosyl-L-methionine
13 spectra
C15H22N6O5S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
398.13724
GC-EI-TOF; MS; 3 TMS; BP:236
MSBNK-Kazusa-KZ000263
GC-EI-TOF; MS; 3 TMS; BP:73
MSBNK-RIKEN-PR010025
GC-EI-TOF; MS; 3 TMS; BP:73
MSBNK-RIKEN-PR010120
LC-ESI-ITFT; MS2; m/z:200.08; POS
MSBNK-NAIST-KNA00186
LC-ESI-ITFT; MS2; m/z:200.08; POS
MSBNK-NAIST-KNA00373
LC-ESI-ITFT; MS2; m/z:226.95; POS
MSBNK-NAIST-KNA00187
LC-ESI-ITFT; MS2; m/z:298.10; POS
MSBNK-NAIST-KNA00374
LC-ESI-ITFT; MS2; m/z:399.14; POS
MSBNK-NAIST-KNA00188
LC-ESI-ITFT; MS2; m/z:399.14; POS
MSBNK-NAIST-KNA00375
LC-ESI-ITFT; MS; POS
MSBNK-NAIST-KNA00185
LC-ESI-ITFT; MS; POS
MSBNK-NAIST-KNA00372
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+
MSBNK-RIKEN-PR100076
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+
MSBNK-RIKEN-PR100378
S-ADENOSYLHOMOCYSTEINE
3 spectra
C14H20N6O5S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
384.12161
LC-ESI-QTOF; MS2; CE: 10eV; R=5000; [M+H]+
MSBNK-Antwerp_Univ-METOX_P101301_F638
LC-ESI-QTOF; MS2; CE: 10eV; R=5000; [M+Na]+
MSBNK-Antwerp_Univ-METOX_P101338_9EE2
LC-ESI-QTOF; MS2; CE: 40eV; R=5000; [M+H]+
MSBNK-Antwerp_Univ-METOX_P101301_FB57
S-Adenosylmethionine
7 spectra
[C15H23N6O5S]+
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
399.14505
LC-ESI-IT; MS2; m/z: 399; [M+H]+
MSBNK-Keio_Univ-KO008827
LC-ESI-IT; MS3; m/z: 399/250; [M+H]+
MSBNK-Keio_Univ-KO008828
LC-ESI-QQ; MS2; CE:10 V; [M+H]+
MSBNK-Keio_Univ-KO002073
LC-ESI-QQ; MS2; CE:20 V; [M+H]+
MSBNK-Keio_Univ-KO002074
LC-ESI-QQ; MS2; CE:30 V; [M+H]+
MSBNK-Keio_Univ-KO002075
LC-ESI-QQ; MS2; CE:40 V; [M+H]+
MSBNK-Keio_Univ-KO002076
LC-ESI-QQ; MS2; CE:50 V; [M+H]+
MSBNK-Keio_Univ-KO002077
S-Benzyl-L-Cysteine
2 spectra
C10H13NO2S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
211.06670
GC-EI-TOF; MS; n TMS; RT:771.313 sec
MSBNK-Osaka_Univ-OUF00453
GC-EI-TOF; MS; n TMS; RT:977.246 sec
MSBNK-Osaka_Univ-OUF00454
S-Carboxymethyl-L-cysteine
12 spectra
C5H9NO4S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
179.02522
GC-EI-TOF; MS; n TMS; BP:73
MSBNK-RIKEN-PR010232
LC-ESI-QQ; MS2; CE:10 V; [M+H]+
MSBNK-Keio_Univ-KO002173
LC-ESI-QQ; MS2; CE:10 V; [M-H]-
MSBNK-Keio_Univ-KO000118
LC-ESI-QQ; MS2; CE:20 V; [M+H]+
MSBNK-Keio_Univ-KO002174
LC-ESI-QQ; MS2; CE:20 V; [M-H]-
MSBNK-Keio_Univ-KO000119
LC-ESI-QQ; MS2; CE:30 V; [M+H]+
MSBNK-Keio_Univ-KO002175
LC-ESI-QQ; MS2; CE:30 V; [M-H]-
MSBNK-Keio_Univ-KO000120
LC-ESI-QQ; MS2; CE:40 V; [M+H]+
MSBNK-Keio_Univ-KO002176
LC-ESI-QQ; MS2; CE:40 V; [M-H]-
MSBNK-Keio_Univ-KO000121
LC-ESI-QQ; MS2; CE:50 V; [M+H]+
MSBNK-Keio_Univ-KO002177
LC-ESI-QQ; MS2; CE:50 V; [M-H]-
MSBNK-Keio_Univ-KO000122
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+
MSBNK-RIKEN-PR100199
S-CARBOXYMETHYLCYSTEINE
4 spectra
C5H9NO4S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
179.02521
LC-ESI-QTOF; MS2; CE: 10eV; R=5000; [M+H]+
MSBNK-Antwerp_Univ-METOX_P101402_F638
LC-ESI-QTOF; MS2; CE: 10eV; R=5000; [M+Na]+
MSBNK-Antwerp_Univ-METOX_P101433_9EE2
LC-ESI-QTOF; MS2; CE: 20eV; R=5000; [M+H]+
MSBNK-Antwerp_Univ-METOX_P101402_EF88
LC-ESI-QTOF; MS2; CE: 40eV; R=5000; [M+H]+
MSBNK-Antwerp_Univ-METOX_P101403_FB57
S-Dodecyl 4-phenylbenzothioate
1 spectrum
C25H34OS
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
382.23303
GC-EI-TOF; MS; POSITIVE; 70 V
MSBNK-MSSJ-MSJ02443
S-Ethyl (4-methoxycarbonyl)benzothioate
1 spectrum
C11H12O3S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
224.05072
GC-EI-TOF; MS; POSITIVE; 70 V
MSBNK-MSSJ-MSJ02452
S-Ethyl 2-(trifluoromethyl)benzothioate
1 spectrum
C10H9F3OS
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
234.03262
GC-EI-TOF; MS; POSITIVE; 70 V
MSBNK-MSSJ-MSJ02460
S-Ethyl 2-methoxybenzothioate
2 spectra
C10H12O2S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
196.05580
GC-EI-TOF; MS; POSITIVE; 70 V
MSBNK-MSSJ-MSJ02441
GC-FI-TOF; MS; POSITIVE; 10 kV
MSBNK-MSSJ-MSJ02442
S-Ethyl 2-methylbenzothioate
1 spectrum
C10H12OS
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
180.06088
GC-EI-TOF; MS; POSITIVE; 70 V
MSBNK-MSSJ-MSJ02456
S-Ethyl 2-phenylbenzothioate
1 spectrum
C15H14OS
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
242.07654
GC-EI-TOF; MS; POSITIVE; 70 V
MSBNK-MSSJ-MSJ02457
S-Ethyl 3,5-bis(trifluoromethyl)benzothioate
1 spectrum
C11H8F6OS
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
302.01999
GC-EI-TOF; MS; POSITIVE; 70 V
MSBNK-MSSJ-MSJ02454
S-Ethyl 4-(4'-chlorophenyl)benzothioate
1 spectrum
C15H13ClOS
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
276.03757
GC-EI-TOF; MS; POSITIVE; 70 V
MSBNK-MSSJ-MSJ02455
S-Ethyl 4-(4'-ethylthiocarbonylphenyl)benzothioate
1 spectrum
C18H18O2S2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
330.07483
GC-EI-TOF; MS; POSITIVE; 70 V
MSBNK-MSSJ-MSJ02458
S-Ethyl 4-(4'-fluorophenyl)benzothioate
1 spectrum
C15H13FOS
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
260.06711
GC-EI-TOF; MS; POSITIVE; 70 V
MSBNK-MSSJ-MSJ02449
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