MassBank Record: KO000526



 Cysteine S-sulfate; 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: KO000526
RECORD_TITLE: Cysteine S-sulfate; 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 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$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V
MS$FOCUSED_ION: PRECURSOR_M/Z 200 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-0080-6920000000-51297f61c1e507e4fc41 PK$NUM_PEAK: 23 PK$PEAK: m/z int. rel.int. 33.400 19802.0 1 72.100 74257.5 2 74.200 14297044.0 303 74.900 480198.5 10 79.200 54455.5 1 81.100 32876270.5 697 86.000 118812.0 3 86.400 44554.5 1 94.700 24752.5 1 95.600 133663.5 3 96.400 153465.5 3 102.900 94059.5 2 113.200 4940599.0 105 117.800 29703.0 1 120.000 15955461.5 338 121.700 198020.0 4 130.900 202970.5 4 136.100 47099057.0 999 138.900 519802.5 11 153.400 14851.5 1 182.900 138614.0 3 198.600 34653.5 1 200.300 18371305.5 390 //