MassBank Record: KO002573



 L(+)-Cystathionine; 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: KO002573
RECORD_TITLE: L(+)-Cystathionine; 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 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 20 V
MS$FOCUSED_ION: PRECURSOR_M/Z 223 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-000t-0900000000-58cceb69cceeff79606c PK$NUM_PEAK: 46 PK$PEAK: m/z int. rel.int. 56.000 54455.5 7 56.500 19802.0 3 61.200 49505.0 6 81.100 99010.0 13 83.000 54455.5 7 87.000 153465.5 20 88.100 910892.0 116 89.200 29703.0 4 94.900 14851.5 2 98.500 69307.0 9 101.200 34653.5 4 102.100 69307.0 9 105.100 64356.5 8 106.000 29703.0 4 107.100 39604.0 5 109.000 59406.0 8 115.900 34653.5 4 118.100 123762.5 16 119.300 103960.5 13 121.300 143564.5 18 122.900 34653.5 4 134.100 4544559.0 579 135.200 49505.0 6 136.200 49505.0 6 138.900 193069.5 25 145.100 34653.5 4 146.900 54455.5 7 149.100 7846542.5 999 151.700 24752.5 3 153.300 39604.0 5 159.800 29703.0 4 161.400 34653.5 4 162.000 29703.0 4 163.300 118812.0 15 167.500 54455.5 7 168.900 9901.0 1 177.200 2202972.5 280 181.200 29703.0 4 188.000 34653.5 4 191.000 39604.0 5 205.000 118812.0 15 206.400 64356.5 8 207.100 252475.5 32 223.300 1089110.0 139 225.200 64356.5 8 227.400 14851.5 2 //