MassBank Record: PR100393



 Cysteine S-sulfate; LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: PR100393
RECORD_TITLE: Cysteine S-sulfate; LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+
DATE: 2016.01.19 (2009.09.10, 2011.05.06)
AUTHORS: Matsuda FPlant Science Center, RIKEN., Suzuki MPlant Science Center, RIKEN., Sawada YPlant Science Center, RIKEN., Plant Science Center, RIKEN.
LICENSE: CC BY-SA
COMMENT: Acquisition and generation of the data is financially supported in part by CREST/JST.

CH$NAME: S-Sulfocysteine CH$NAME: Cys(SO3H) CH$NAME: S-Sulphocysteine CH$NAME: L-Cysteine-S-sulfate CH$NAME: S-Sulfo-L-cysteine CH$NAME: Cysteine Sulfate Thioester CH$NAME: (R)-2-Amino-3-(sulfothio)propanoic Acid CH$NAME: cysteinyl-S-sulfonate CH$NAME: cysteine-S-sulfonate CH$NAME: Cysteinyl-S-sulfonic acid CH$NAME: Cysteine-S-Sulfonic Acid CH$NAME: Cysteine S-sulfate CH$COMPOUND_CLASS: Amino acids CH$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$LINK: CHEMSPIDER 102939 CH$LINK: KEGG C05824 CH$LINK: PUBCHEM CID:115015 CH$LINK: INCHIKEY NOKPBJYHPHHWAN-REOHCLBHSA-N
AC$INSTRUMENT: UPLC Q-Tof Premier, Waters AC$INSTRUMENT_TYPE: LC-ESI-QTOF AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY Ramp 5-60 V AC$MASS_SPECTROMETRY: DATAFORMAT Continuum AC$MASS_SPECTROMETRY: DESOLVATION_GAS_FLOW 600.0 L/Hr AC$MASS_SPECTROMETRY: DESOLVATION_TEMPERATURE 400 C AC$MASS_SPECTROMETRY: FRAGMENTATION_METHOD LOW-ENERGY CID AC$MASS_SPECTROMETRY: IONIZATION ESI AC$MASS_SPECTROMETRY: SOURCE_TEMPERATURE 120 C AC$CHROMATOGRAPHY: CAPILLARY_VOLTAGE 3.0 kV AC$CHROMATOGRAPHY: SAMPLING_CONE 23.0 V AC$CHROMATOGRAPHY: SOLVENT CH3CN(0.1%HCOOH)/ H2O(0.1%HCOOH)
MS$FOCUSED_ION: PRECURSOR_M/Z 201.98437 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-00di-4910000000-371af0521b2bd90215c3 PK$NUM_PEAK: 3 PK$PEAK: m/z int. rel.int. 74.0068 177.5 514 120.0116 344.8 999 201.9844 44.94 130 //