ACCESSION: MSBNK-RIKEN_ReSpect-PT103470
RECORD_TITLE: Taurine, 2-Aminoethanesulfonic Acid, O-Due, 2-Sulfoethylamine, 2-aminoethanesulfonic acid, Tauphon; LC-ESI-QTOF; MS2
DATE: 2008.07.25
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$NAME: Taurine
CH$NAME: 2-Aminoethanesulfonic Acid
CH$NAME: O-Due
CH$NAME: 2-Sulfoethylamine
CH$NAME: 2-aminoethanesulfonic acid
CH$NAME: Tauphon
CH$COMPOUND_CLASS: CLASS1 Other CLASS2 Other CLASS3 Taurine
CH$FORMULA: C₂H₇NO₃S
CH$EXACT_MASS: 125.147
CH$SMILES: C(CS(=O)(=O)O)N
CH$IUPAC: InChI=1S/C2H7NO3S/c3-1-2-7(4,5)6/h1-3H2,(H,4,5,6)
CH$LINK: CAS 107-35-7
CH$LINK: INCHIKEY XOAAWQZATWQOTB-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 126.02246

PK$SPLASH: splash10-004i-0900000000-56d319e5898af6d405d5
PK$NUM_PEAK: 3
PK$PEAK: m/z int. rel.int.
  84.9396 13.19 97
  108.0122 55.89 411
  126.0225 135.7 999
//