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MassBank Record: PT202230

Rib-5P, [(2R,3S,4R)-3,4,5-trihydroxyoxolan-2-yl]methyl dihydrogen phosphate, D-Ribose-5-phosphate disodium salt hydrate, R-5-P, D-Ribofuranose 5-phosphate disodium salt; LC-ESI-QTOF; MS2

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

ACCESSION: PT202230
RECORD_TITLE: Rib-5P, [(2R,3S,4R)-3,4,5-trihydroxyoxolan-2-yl]methyl dihydrogen phosphate, D-Ribose-5-phosphate disodium salt hydrate, R-5-P, D-Ribofuranose 5-phosphate disodium 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$NAME: Rib-5P
CH$NAME: [(2R,3S,4R)-3,4,5-trihydroxyoxolan-2-yl]methyl dihydrogen phosphate
CH$NAME: D-Ribose-5-phosphate disodium salt hydrate
CH$NAME: R-5-P
CH$NAME: D-Ribofuranose 5-phosphate disodium salt
CH$COMPOUND_CLASS: CLASS1 Other CLASS2 Suger phosphate CLASS3 Ribose phosphate
CH$FORMULA: C5H11O8P
CH$EXACT_MASS: 230.111
CH$SMILES: C(C1C(C(C(O1)O)O)O)OP(=O)(O)O
CH$IUPAC: InChI=1S/C5H11O8P/c6-3-2(1-12-14(9,10)11)13-5(8)4(3)7/h2-8H,1H2,(H2,9,10,11)
CH$LINK: CAS 4300-28-1
CH$LINK: INCHIKEY KTVPXOYAKDPRHY-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$SPLASH: splash10-002b-9000000000-340deaecb0169ce2acd3
PK$NUM_PEAK: 4
PK$PEAK: m/z int. rel.int.
  78.9596 594.2 677
  96.9695 876.8 999
  138.9801 113.9 130
  229.0114 122.0 139
//

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