ACCESSION: MSBNK-IPB_Halle-PB000439
RECORD_TITLE: Cysteine; LC-ESI-QTOF; MS2; CE:30 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$MASS_SPECTROMETRY: COLLISION_ENERGY 30 eV
AC$MASS_SPECTROMETRY: IONIZATION ESI

MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-0a4i-9000000000-9154dd5d04eb63d96507
PK$NUM_PEAK: 6
PK$PEAK: m/z int. rel.int.
  42.034 127.898 11
  43.043 238.775 22
  57.988 115.740 10
  58.996 10000.000 999
  76.023 3573.973 356
  86.990 342.966 33
//