MassBank Record: PB000438



 Cysteine; LC-ESI-QTOF; MS2; CE:20 eV; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: PB000438
RECORD_TITLE: Cysteine; LC-ESI-QTOF; MS2; CE:20 eV; [M+H]+
DATE: 2016.01.19 (Created 2008.01.02, modified 2013.06.04)
AUTHORS: Boettcher C, Institute of Plant Biochemistry, Halle, Germany
LICENSE: CC BY-SA
COMMENT: IPB_RECORD: 258
COMMENT: CONFIDENCE: confident structure

CH$NAME: Cysteine CH$NAME: 2-amino-3-sulfanylpropanoic acid CH$COMPOUND_CLASS: Natural Product; amino acid CH$FORMULA: C3H7NO2S CH$EXACT_MASS: 121.01975 CH$SMILES: C(C(C(=O)O)N)S CH$IUPAC: InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6) CH$LINK: INCHIKEY XUJNEKJLAYXESH-UHFFFAOYSA-N CH$LINK: KEGG C00097 CH$LINK: PUBCHEM CID:594
AC$INSTRUMENT: API QSTAR Pulsar i AC$INSTRUMENT_TYPE: LC-ESI-QTOF AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 eV AC$MASS_SPECTROMETRY: IONIZATION ESI
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-056r-9000000000-77447a65a05a453318b9 PK$NUM_PEAK: 7 PK$PEAK: m/z int. rel.int. 58.997 5400.308 539 70.030 69.634 5 76.023 10000.000 999 86.990 2969.172 295 88.041 78.181 6 105.003 1701.180 169 122.029 188.843 17 //