MassBank Record: KO002572



 L(+)-Cystathionine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO002572
RECORD_TITLE: L(+)-Cystathionine; LC-ESI-QQ; MS2; CE:10 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 C047

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: NIKKAJI J4.574H CH$LINK: PUBCHEM SID:5347
AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V
MS$FOCUSED_ION: PRECURSOR_M/Z 223 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-00fr-0690000000-82fe2198c98660008c04 PK$NUM_PEAK: 33 PK$PEAK: m/z int. rel.int. 60.900 39604.0 3 87.400 24752.5 2 88.400 54455.5 4 90.000 29703.0 2 90.800 24752.5 2 99.000 54455.5 4 101.200 14851.5 1 104.600 49505.0 4 110.800 29703.0 2 116.900 59406.0 4 118.100 113861.5 8 119.400 198020.0 15 134.000 539604.5 40 138.800 118812.0 9 143.500 24752.5 2 149.200 435644.0 32 158.900 24752.5 2 160.800 39604.0 3 163.100 242574.5 18 167.300 84158.5 6 170.800 14851.5 1 177.300 7861394.0 580 181.300 39604.0 3 187.000 44554.5 3 187.600 24752.5 2 191.300 153465.5 11 195.100 79208.0 6 205.100 405941.0 30 206.200 584159.0 43 223.300 13544568.0 999 225.100 49505.0 4 227.500 24752.5 2 241.200 59406.0 4 //