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MassBank Record: MSBNK-RIKEN_ReSpect-PT207280

UDP-galactose, UDP-Galactose disodium salt, UDP-D-galactopyranose, Uridine-5'-diphosphogalactose disodium salt, [[(2R,3S,4R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] hydrogen phosphate, UDP-Gal; LC-ESI-QTOF; MS2

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

ACCESSION: MSBNK-RIKEN_ReSpect-PT207280
RECORD_TITLE: UDP-galactose, UDP-Galactose disodium salt, UDP-D-galactopyranose, Uridine-5'-diphosphogalactose disodium salt, [[(2R,3S,4R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] hydrogen phosphate, UDP-Gal; 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$NAME: UDP-galactose
CH$NAME: UDP-Galactose disodium salt
CH$NAME: UDP-D-galactopyranose
CH$NAME: Uridine-5'-diphosphogalactose disodium salt
CH$NAME: [[(2R,3S,4R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] hydrogen phosphate
CH$NAME: UDP-Gal
CH$COMPOUND_CLASS: CLASS1 Other CLASS2 Nucleotide CLASS3 Uridine phosphate
CH$FORMULA: C15H24N2O17P2
CH$EXACT_MASS: 566.306
CH$SMILES: C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OC3C(C(C(C(O3)CO)O)O)O)O)O
CH$IUPAC: InChI=1S/C15H24N2O17P2/c18-3-5-8(20)10(22)12(24)14(32-5)33-36(28,29)34-35(26,27)30-4-6-9(21)11(23)13(31-6)17-2-1-7(19)16-15(17)25/h1-2,5-6,8-14,18,20-24H,3-4H2,(H,26,27)(H,28,29)(H,16,19,25)
CH$LINK: CAS 2956-16-3
CH$LINK: INCHIKEY HSCJRCZFDFQWRP-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 565.04722

PK$SPLASH: splash10-0100-9428070000-22e8eb5a9b151835ecd7
PK$NUM_PEAK: 14
PK$PEAK: m/z int. rel.int.
  78.9604 1896.0 721
  96.9706 1137.0 433
  111.0208 346.8 132
  138.9812 140.3 53
  150.981 140.3 53
  158.9264 776.9 296
  211.0025 275.3 105
  241.0131 157.2 60
  272.9595 346.6 132
  320.9801 192.6 73
  323.0303 2372.0 902
  384.9868 350.4 133
  402.9992 153.8 59
  565.0472 2626.0 999
//

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