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MassBank Record: PT107770

2,3,4-Trihydroxybutanal, (2R,3R)-(-)-Erythrose, D-(-)-Erythrose, (3R,4R)-oxolane-2,3,4-triol; LC-ESI-QTOF; MS2

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: PT107770
RECORD_TITLE: 2,3,4-Trihydroxybutanal, (2R,3R)-(-)-Erythrose, D-(-)-Erythrose, (3R,4R)-oxolane-2,3,4-triol; 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$NAME: 2,3,4-Trihydroxybutanal
CH$NAME: (2R,3R)-(-)-Erythrose
CH$NAME: D-(-)-Erythrose
CH$NAME: (3R,4R)-oxolane-2,3,4-triol
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 583-50-6
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$SPLASH: splash10-0006-9100000000-15d26b9d7a9da6a71e33
PK$NUM_PEAK: 4
PK$PEAK: m/z int. rel.int.
  77.0291 47.26 545
  91.0425 42.84 494
  93.0578 86.55 999
  121.0501 27.24 314
//

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