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Name
Formula / Structure
ExactMass
ID
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...
2 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
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
9 spectra
C14H20N6O5S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
384.12158
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:385.13; POS
MSBNK-NAIST-KNA00231
LC-ESI-ITFT; MS2; m/z:385.13; POS
MSBNK-NAIST-KNA00315
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
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
7 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:20 V; [M+H]+
MSBNK-Keio_Univ-KO002174
LC-ESI-QQ; MS2; CE:30 V; [M+H]+
MSBNK-Keio_Univ-KO002175
LC-ESI-QQ; MS2; CE:40 V; [M+H]+
MSBNK-Keio_Univ-KO002176
LC-ESI-QQ; MS2; CE:50 V; [M+H]+
MSBNK-Keio_Univ-KO002177
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-ETHYL THIOACETATE
1 spectrum
C4H8OS
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
104.02959
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP009164
S-Glycyl-L-cysteine, 2-[[(2R)-2-amino-3-sulfanylpr...
1 spectrum
C5H10N2O3S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
178.21100
LC-ESI-QTOF; MS2
MSBNK-RIKEN_ReSpect-PT109060
S-Glycyl-L-cysteine, Cys-Gly, cysteinylglycine, (R...
3 spectra
C5H10N2O3S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
178.21100
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS090601
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS090602
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS090603
S-Lactoylglutathione
13 spectra
C13H21N3O8S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
379.10495
LC-ESI-IT; MS2; m/z: 380; [M+H]+
MSBNK-Keio_Univ-KO009024
LC-ESI-IT; MS3; m/z: 380/233; [M+H]+
MSBNK-Keio_Univ-KO009026
LC-ESI-IT; MS3; m/z: 380/251; [M+H]+
MSBNK-Keio_Univ-KO009025
LC-ESI-IT; MS4; m/z: 380/233/130; [M+H]+
MSBNK-Keio_Univ-KO009030
LC-ESI-IT; MS4; m/z: 380/233/169; [M+H]+
MSBNK-Keio_Univ-KO009029
LC-ESI-IT; MS4; m/z: 380/233/187; [M+H]+
MSBNK-Keio_Univ-KO009028
LC-ESI-IT; MS4; m/z: 380/233/215; [M+H]+
MSBNK-Keio_Univ-KO009027
LC-ESI-QQ; MS2; CE:10 V; [M+H]+
MSBNK-Keio_Univ-KO003297
LC-ESI-QQ; MS2; CE:20 V; [M+H]+
MSBNK-Keio_Univ-KO003298
LC-ESI-QQ; MS2; CE:30 V; [M+H]+
MSBNK-Keio_Univ-KO003299
LC-ESI-QQ; MS2; CE:40 V; [M+H]+
MSBNK-Keio_Univ-KO003300
LC-ESI-QQ; MS2; CE:50 V; [M+H]+
MSBNK-Keio_Univ-KO003301
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+
MSBNK-RIKEN-PR100314
S-Methoprene
6 spectra
C19H34O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
310.25079
LC-ESI-QFT; MS2; CE: 15%; R=17500; [M+H]+
MSBNK-Eawag-EQ01094901
LC-ESI-QFT; MS2; CE: 30%; R=17500; [M+H]+
MSBNK-Eawag-EQ01094902
LC-ESI-QFT; MS2; CE: 45%; R=17500; [M+H]+
MSBNK-Eawag-EQ01094903
LC-ESI-QFT; MS2; CE: 60%; R=17500; [M+H]+
MSBNK-Eawag-EQ01094904
LC-ESI-QFT; MS2; CE: 75%; R=17500; [M+H]+
MSBNK-Eawag-EQ01094905
LC-ESI-QFT; MS2; CE: 90%; R=17500; [M+H]+
MSBNK-Eawag-EQ01094906
S-METHYL-L-CYSTEINE
1 spectrum
C4H9NO2S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
135.03540
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP006302
S-PROPYL THIOACETATE
1 spectrum
C5H10OS
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
118.04524
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP009165
S-PROPYL THIOBENZOATE
1 spectrum
C10H12OS
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
180.06088
EI-B; MS
MSBNK-Fac_Eng_Univ_Tokyo-JP009093
S-Pyruvoylglutathione, (2S)-2-amino-5-[[(2R)-1-(ca...
1 spectrum
C13H21N3O8S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
379.38901
LC-ESI-QTOF; MS2
MSBNK-RIKEN_ReSpect-PT106830
S-Pyruvoylglutathione, S-Lactoylglutathione, S-Pyr...
5 spectra
C13H21N3O8S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
379.38901
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS068301
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS068302
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS068303
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS068305
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS068306
S-Sulforaphene
2 spectra
C6H9NOS2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
175.01256
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+
MSBNK-RIKEN-PR100425
LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+
MSBNK-RIKEN-PR101040
S-Sulforaphene, (-)4-Isothiocyanato-4R-(methylsulf...
2 spectra
C6H9NOS2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
175.27400
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS106901
LC-ESI-QQ; MS2
MSBNK-RIKEN_ReSpect-PS106902
S-Sulforaphene, (E)-4-isothiocyanato-1-methylsulfi...
1 spectrum
C6H9NOS2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
175.27400
LC-ESI-QTOF; MS2
MSBNK-RIKEN_ReSpect-PT110690
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