ACCESSION: MSBNK-RIKEN_ReSpect-PT203680
RECORD_TITLE: [[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] hydrogen phosphate, Uridine-5'-diphospho-glucose, UDP-glucose, UDPG, UDP-Glc, Uridine-5'-diphospho-glucose disodium salt, UDP-glucopyranoside; 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$NAME: [[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] hydrogen phosphate
CH$NAME: Uridine-5'-diphospho-glucose
CH$NAME: UDP-glucose
CH$NAME: UDPG
CH$NAME: UDP-Glc
CH$NAME: Uridine-5'-diphospho-glucose disodium salt
CH$NAME: UDP-glucopyranoside
CH$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$LINK: CAS 133-89-1
CH$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$SPLASH: splash10-0100-9338060000-cf68946745e51f64bdea
PK$NUM_PEAK: 14
PK$PEAK: m/z int. rel.int.
  78.9606 2326.0 730
  96.9708 1449.0 455
  111.0213 362.2 114
  138.9813 190.1 60
  150.9811 172.3 54
  158.9265 724.1 227
  211.0032 364.1 114
  241.0141 648.1 203
  272.9597 322.6 101
  280.026 196.6 62
  320.9821 194.3 61
  323.0308 3184.0 999
  384.9876 317.8 100
  565.0472 2811.0 882
//