ACCESSION: MSBNK-RIKEN_ReSpect-PT106523
RECORD_TITLE: 2-(4-methyl-1,3-thiazol-5-yl)ethanol, Sulfurol, 4-Methyl-5-hydroxyethylthiazole, MHT, Hemineurine, 4-Methyl-5-thiazoleethanol; 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$NAME: 2-(4-methyl-1,3-thiazol-5-yl)ethanol
CH$NAME: Sulfurol
CH$NAME: 4-Methyl-5-hydroxyethylthiazole
CH$NAME: MHT
CH$NAME: Hemineurine
CH$NAME: 4-Methyl-5-thiazoleethanol
CH$COMPOUND_CLASS: CLASS1 Other CLASS2 Other CLASS3 Thiazole
CH$FORMULA: C₆H₉NOS
CH$EXACT_MASS: 143.209
CH$SMILES: CC1=C(SC=N1)CCO
CH$IUPAC: InChI=1S/C6H9NOS/c1-5-6(2-3-8)9-4-7-5/h4,8H,2-3H2,1H3
CH$LINK: CAS 137-00-8
CH$LINK: INCHIKEY BKAWJIRCKVUVED-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 30 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 144.04828

PK$SPLASH: splash10-03di-1900000000-0c0977714e57292d99f9
PK$NUM_PEAK: 8
PK$PEAK: m/z int. rel.int.
  70.9965 177.6 144
  72.0041 91.26 74
  80.0504 99.28 80
  85.0117 105.8 86
  112.0225 709.7 575
  113.0303 1234.0 999
  126.0387 182.4 148
  144.0483 84.99 69
//