MassBank Record: KO002607



 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: KO002607
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 POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V
MS$FOCUSED_ION: PRECURSOR_M/Z 202 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-000i-2920000000-a83035ef61c648fd9a37 PK$NUM_PEAK: 18 PK$PEAK: m/z int. rel.int. 70.900 202970.5 73 72.800 861387.0 309 95.300 9901.0 4 102.000 19802.0 7 105.000 24752.5 9 109.100 19802.0 7 110.900 24752.5 9 113.300 886139.5 318 126.000 34653.5 12 134.900 14851.5 5 142.000 14851.5 5 152.200 84158.5 30 153.000 54455.5 20 167.200 321782.5 116 170.400 168317.0 60 184.400 74257.5 27 185.400 2782181.0 999 202.200 1094060.5 393 //