MassBank Record: KO000525



 Cysteine S-sulfate; 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: KO000525
RECORD_TITLE: Cysteine S-sulfate; 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 C127

CH$NAME: Cysteine S-sulfate CH$NAME: S-Sulfo-L-cysteine CH$COMPOUND_CLASS: N/A CH$FORMULA: C3H7NO5S2 CH$EXACT_MASS: 200.97656 CH$SMILES: N[C@H](C(O)=O)CSS(O)(=O)=O CH$IUPAC: InChI=1S/C3H7NO5S2/c4-2(3(5)6)1-10-11(7,8)9/h2H,1,4H2,(H,5,6)(H,7,8,9)/t2-/m0/s1 CH$LINK: CAS 1637-71-4 CH$LINK: KEGG C05824 CH$LINK: PUBCHEM SID:8119
AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V
MS$FOCUSED_ION: PRECURSOR_M/Z 200 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-0udi-0090000000-67fc3cbd5242cf8812eb PK$NUM_PEAK: 12 PK$PEAK: m/z int. rel.int. 73.700 118812.0 1 80.900 930694.0 5 113.000 297030.0 2 119.900 351485.5 2 131.000 94059.5 1 131.600 24752.5 1 136.000 8202978.5 46 138.300 39604.0 1 139.800 69307.0 1 168.000 9901.0 1 182.600 128713.0 1 200.300 176970474.0 999 //