MassBank Record: MSBNK-IPB_Halle-PB000436
ACCESSION: MSBNK-IPB_Halle-PB000436
RECORD_TITLE: Cysteine; LC-ESI-QTOF; MS2; CE:10 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
CH$LINK: COMPTOX
DTXSID5046988
AC$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 10 eV
AC$MASS_SPECTROMETRY: IONIZATION ESI
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-00di-0900000000-63006506bfb87f1af5d6
PK$NUM_PEAK: 4
PK$PEAK: m/z int. rel.int.
76.022 955.399 94
86.990 170.631 16
105.001 1125.482 111
122.029 10000.000 999
//