ACCESSION: MSBNK-RIKEN_ReSpect-PT112020
RECORD_TITLE: D-Threo-tetrose, (3S,4R)-oxolane-2,3,4-triol, D(-)-Threose, D-threo-Aldose; 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$NAME: D-Threo-tetrose
CH$NAME: (3S,4R)-oxolane-2,3,4-triol
CH$NAME: D(-)-Threose
CH$NAME: D-threo-Aldose
CH$COMPOUND_CLASS: CLASS1 Other CLASS2 Sugar CLASS3 Monosaccharide
CH$FORMULA: C₄H₈O₄
CH$EXACT_MASS: 120.104
CH$SMILES: C1C(C(C(O1)O)O)O
CH$IUPAC: InChI=1S/C4H8O4/c5-2-1-8-4(7)3(2)6/h2-7H,1H2
CH$LINK: CAS 95-43-2
CH$LINK: INCHIKEY FMAORJIQYMIRHF-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 121.05006

PK$SPLASH: splash10-0006-9100000000-edfb137ecf5421bcda1b
PK$NUM_PEAK: 4
PK$PEAK: m/z int. rel.int.
  77.0297 30.67 436
  91.0425 27.71 394
  93.0575 70.27 999
  121.0501 19.17 273
//