ACCESSION: MSBNK-RIKEN_ReSpect-PT102510
RECORD_TITLE: 2-Aminoethylsulfinic Acid, 2-aminoethanesulfinic acid, 2-Aminoethanesulfinic acid, Hypotaurine; 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$NAME: 2-Aminoethylsulfinic Acid
CH$NAME: 2-aminoethanesulfinic acid
CH$NAME: 2-Aminoethanesulfinic acid
CH$NAME: Hypotaurine
CH$COMPOUND_CLASS: CLASS1 Other CLASS2 Other CLASS3 Hypotaurine
CH$FORMULA: C₂H₇NO₂S
CH$EXACT_MASS: 109.148
CH$SMILES: C(CS(=O)O)N
CH$IUPAC: InChI=1S/C2H7NO2S/c3-1-2-6(4)5/h1-3H2,(H,4,5)
CH$LINK: CAS 300-84-5
CH$LINK: INCHIKEY VVIUBCNYACGLLV-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 110.02755

PK$SPLASH: splash10-03di-0900000000-6f2416e3d3c5aa1f0fff
PK$NUM_PEAK: 2
PK$PEAK: m/z int. rel.int.
92.0174 4.209 28
110.0275 151.3 999
//