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MassBank Record: PT202060

D-erythrose-4P, D-Erythrose-4-phosphate sodium salt, (2,3-dihydroxy-4-oxobutyl) dihydrogen phosphate, 4-Phospho-D-erythrose sodium salt; LC-ESI-QTOF; MS2

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

ACCESSION: PT202060
RECORD_TITLE: D-erythrose-4P, D-Erythrose-4-phosphate sodium salt, (2,3-dihydroxy-4-oxobutyl) dihydrogen phosphate, 4-Phospho-D-erythrose sodium salt; 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$NAME: D-erythrose-4P
CH$NAME: D-Erythrose-4-phosphate sodium salt
CH$NAME: (2,3-dihydroxy-4-oxobutyl) dihydrogen phosphate
CH$NAME: 4-Phospho-D-erythrose sodium salt
CH$COMPOUND_CLASS: CLASS1 Other CLASS2 Suger phosphate CLASS3 Fructose phosphate
CH$FORMULA: C4H9O7P
CH$EXACT_MASS: 200.085
CH$SMILES: C(C(C(C=O)O)O)OP(=O)(O)O
CH$IUPAC: InChI=1S/C4H9O7P/c5-1-3(6)4(7)2-11-12(8,9)10/h1,3-4,6-7H,2H2,(H2,8,9,10)
CH$LINK: CAS 585-18-2
CH$LINK: INCHIKEY NGHMDNPXVRFFGS-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 NEGATIVE
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 199.00079

PK$SPLASH: splash10-002b-9000000000-06d71bced6df9b8baad3
PK$NUM_PEAK: 5
PK$PEAK: m/z int. rel.int.
  78.9602 150.9 716
  96.9703 210.5 999
  138.98 17.95 85
  154.9088 6.778 32
  199.0008 6.948 33
//

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