MassBank Record: KO008911



 L(+)-Cystathionine; LC-ESI-IT; MS3; m/z: 223/134; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO008911
RECORD_TITLE: L(+)-Cystathionine; LC-ESI-IT; MS3; m/z: 223/134; [M+H]+
DATE: 2011.12.05 (2008.05.12)
AUTHORS: Ojima YInstitute for Advanced Biosciences, Keio Univ., Kakazu YInstitute for Advanced Biosciences, Keio Univ., Horai HInstitute for Advanced Biosciences, Keio Univ., Soga TInstitute for Advanced Biosciences, Keio Univ., Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID C019
COMMENT: [MS2] KO008910

CH$NAME: Cystathionine CH$NAME: L-Cystathionine CH$NAME: L(+)-Cystathionine CH$COMPOUND_CLASS: N/A CH$FORMULA: C7H14N2O4S CH$EXACT_MASS: 222.06743 CH$SMILES: OC(=O)[C@@H](N)CCSC[C@@H](N)C(O)=O CH$IUPAC: InChI=1S/C7H14N2O4S/c8-4(6(10)11)1-2-14-3-5(9)7(12)13/h4-5H,1-3,8-9H2,(H,10,11)(H,12,13)/t4-,5-/m0/s1 CH$LINK: CAS 56-88-2 CH$LINK: CHEBI 17482 CH$LINK: KEGG C02291 CH$LINK: PUBCHEM 5347 CH$LINK: INCHIKEY ILRYLPWNYFXEMH-WHFBIAKZSA-N
AC$INSTRUMENT: LC/MSD Trap XCT, Agilent Technologies AC$INSTRUMENT_TYPE: LC-ESI-IT AC$MASS_SPECTROMETRY: MS_TYPE MS3 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 0.55/0.55
MS$FOCUSED_ION: PRECURSOR_M/Z 223/134 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+ MS$DATA_PROCESSING: WHOLE LC/MSD Trap Control and Data Analysis
PK$SPLASH: splash10-000i-9000000000-9a2e1e54b77216e2df72 PK$NUM_PEAK: 21 PK$PEAK: m/z int. rel.int. 61.2 20.92 1 88.1 92213.94 999 89.1 181.59 2 95.2 4.00 1 99.7 17.54 1 100.4 5.29 1 101.9 8.12 1 105.2 31.71 1 105.9 875.06 9 107.8 25.79 1 114.1 35.04 1 116.9 9.08 1 134.0 3643.00 39 135.1 13.13 1 148.9 15.96 1 159.0 17.21 1 171.1 6.04 1 174.1 18.88 1 176.1 9.83 1 187.0 39.25 1 188.1 4.13 1 //