MassBank Record: KO000527



 Cysteine S-sulfate; LC-ESI-QQ; MS2; CE:30 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO000527
RECORD_TITLE: Cysteine S-sulfate; LC-ESI-QQ; MS2; CE:30 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$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V
MS$FOCUSED_ION: PRECURSOR_M/Z 200 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-0089-9200000000-a3bb8e3eaa57447953e8 PK$NUM_PEAK: 23 PK$PEAK: m/z int. rel.int. 33.300 292079.5 9 46.300 14851.5 1 48.700 29703.0 1 57.100 39604.0 1 58.800 39604.0 1 72.100 841585.0 26 74.100 17886156.5 561 75.100 534654.0 17 79.800 643565.0 20 81.100 31841616.0 999 85.800 321782.5 10 86.500 59406.0 2 95.500 59406.0 2 96.000 183168.5 6 102.700 183168.5 6 112.900 6559412.5 206 118.000 24752.5 1 120.000 7376245.0 231 121.700 103960.5 3 131.100 69307.0 2 135.900 2376240.0 75 139.200 39604.0 1 200.300 103960.5 3 //