MassBank Record: KO000119



 S-Carboxymethyl-L-cysteine; LC-ESI-QQ; MS2; CE:20 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO000119
RECORD_TITLE: S-Carboxymethyl-L-cysteine; LC-ESI-QQ; MS2; CE:20 V; [M-H]-
DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10)
AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID A059

CH$NAME: S-Carboxymethylcysteine CH$NAME: L-Carbocisteine CH$NAME: S-Carboxymethyl-L-cysteine CH$COMPOUND_CLASS: N/A CH$FORMULA: C5H9NO4S CH$EXACT_MASS: 179.02523 CH$SMILES: OC(=O)C(N)CSCC(O)=O CH$IUPAC: InChI=1S/C5H9NO4S/c6-3(5(9)10)1-11-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1 CH$LINK: CAS 638-23-3 CH$LINK: CHEBI 16163 CH$LINK: KEGG C03727 CH$LINK: NIKKAJI J2.289F CH$LINK: PUBCHEM SID:6492
AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V
MS$FOCUSED_ION: PRECURSOR_M/Z 178 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-0006-9000000000-4938b5336a3e3dd8ef9d PK$NUM_PEAK: 6 PK$PEAK: m/z int. rel.int. 47.100 89109.0 13 86.400 113861.5 17 91.000 6648521.5 999 141.700 64356.5 10 145.500 24752.5 4 177.900 74257.5 11 //