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MassBank Record: MSBNK-RIKEN_ReSpect-PT202240

D-Ribulose-5-phosphate sodium salt , Ru-5-P, Ru-5P, [(2R,3R)-2,3,5-trihydroxy-4-oxopentyl] dihydrogen phosphate; LC-ESI-QTOF; MS2

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

ACCESSION: MSBNK-RIKEN_ReSpect-PT202240
RECORD_TITLE: D-Ribulose-5-phosphate sodium salt , Ru-5-P, Ru-5P, [(2R,3R)-2,3,5-trihydroxy-4-oxopentyl] dihydrogen phosphate; 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$NAME: D-Ribulose-5-phosphate sodium salt
CH$NAME: Ru-5-P
CH$NAME: Ru-5P
CH$NAME: [(2R,3R)-2,3,5-trihydroxy-4-oxopentyl] dihydrogen phosphate
CH$COMPOUND_CLASS: CLASS1 Other CLASS2 Suger phosphate CLASS3 Ribulose phosphate
CH$FORMULA: C5H11O8P
CH$EXACT_MASS: 230.111
CH$SMILES: C(C(C(C(=O)CO)O)O)OP(=O)(O)O
CH$IUPAC: InChI=1S/C5H11O8P/c6-1-3(7)5(9)4(8)2-13-14(10,11)12/h4-6,8-9H,1-2H2,(H2,10,11,12)
CH$LINK: CAS 4151-19-3
CH$LINK: INCHIKEY FNZLKVNUWIIPSJ-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 229.01135

PK$SPLASH: splash10-004j-9010000000-49c14e85e3a3dee61721
PK$NUM_PEAK: 3
PK$PEAK: m/z int. rel.int.
  78.959 18.65 810
  96.9677 22.99 999
  229.0114 4.737 206
//

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