ACCESSION: MSBNK-RIKEN_ReSpect-PT109910
RECORD_TITLE: Cysteine Sulfate Thioester, L-Cysteine-S-sulfate, cysteine-S-sulfonate, Cys(SO3H), S-Sulphocysteine, Cysteine-S-Sulfonic Acid, (R)-2-Amino-3-(sulfothio)propanoic Acid, S-Sulfo-L-cysteine, Cysteinyl-S-sulfonic acid, (2R)-2-amino-3-sulfosulfanylpropanoic acid, cysteinyl-S-sulfonate, S-Sulfocysteine; LC-ESI-QTOF; MS2
DATE: 2008.07.28
AUTHORS: Matsuda F, Suzuki M, Sawada Y, Plant Science Center, RIKEN.
LICENSE: CC BY-NC
COPYRIGHT: Copyright(C) 2009 Plant Science Center, RIKEN
COMMENT: Build 1 2009/06/24
COMMENT: Acquisition and generation of the data is financially supported in part by CREST/JST.

CH$NAME: Cysteine Sulfate Thioester
CH$NAME: L-Cysteine-S-sulfate
CH$NAME: cysteine-S-sulfonate
CH$NAME: Cys(SO3H)
CH$NAME: S-Sulphocysteine
CH$NAME: Cysteine-S-Sulfonic Acid
CH$NAME: (R)-2-Amino-3-(sulfothio)propanoic Acid
CH$NAME: S-Sulfo-L-cysteine
CH$NAME: Cysteinyl-S-sulfonic acid
CH$NAME: (2R)-2-amino-3-sulfosulfanylpropanoic acid
CH$NAME: cysteinyl-S-sulfonate
CH$NAME: S-Sulfocysteine
CH$COMPOUND_CLASS: CLASS1 Amino acid CLASS2 Cysteine
CH$FORMULA: C₃H₇NO₅S₂
CH$EXACT_MASS: 201.221
CH$SMILES: C(C(C(=O)O)N)SS(=O)(=O)O
CH$IUPAC: InChI=1S/C3H7NO5S2/c4-2(3(5)6)1-10-11(7,8)9/h2H,1,4H2,(H,5,6)(H,7,8,9)
CH$LINK: CAS 1637-71-4
CH$LINK: INCHIKEY NOKPBJYHPHHWAN-UHFFFAOYSA-N

AC$INSTRUMENT: Q-Tof Premier, Waters
AC$INSTRUMENT_TYPE: LC-ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY Ramp 5-45 V
AC$MASS_SPECTROMETRY: CAPILLARY_VOLTAGE 3.0 kV
AC$CHROMATOGRAPHY: SOLVENT CH3CN/H2O

MS$FOCUSED_ION: ION_TYPE [M+H]+
MS$FOCUSED_ION: PRECURSOR_M/Z 201.98437

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
//