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MassBank Record: PS036711

UDP-Galactose disodium salt, Uridine-5'-diphosphogalactose disodium salt , Uridine-5'-diphosphogalactose, UDP-D-galactopyranose, UDP-Gal; LC-ESI-QQ; MS2

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

ACCESSION: PS036711
RECORD_TITLE: UDP-Galactose disodium salt, Uridine-5'-diphosphogalactose disodium salt , Uridine-5'-diphosphogalactose, UDP-D-galactopyranose, UDP-Gal; LC-ESI-QQ; MS2
DATE: 2009.02.09
AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN
LICENSE: CC-BY-NC
COPYRIGHT: Copyright(C) 2008 Plant Science Center, RIKEN
PUBLICATION: Sawada, Y.; Akiyama, K.; Sakata, A.; Kuwahara, A.; Otsuki, H.; Sakurai, T.; Saito, K.; Hirai, M. Y. Widely Targeted Metabolomics Based on Large-Scale MS/MS Data for Elucidating Metabolite Accumulation Patterns in Plants. Plant and Cell Physiology 2008, 50 (1), 37–47. DOI:10.1093/pcp/pcn183
COMMENT: Build 5
COMMENT: Data acquisition and generation is financially supported in part by CREST/JST.
COMMENT: Source compound SIGMA, U4500.
COMMENT: PRIMe compound in-house ID 367
COMMENT: This spectra was automatically generated from the raw data without manual curation of data quality.
COMMENT: The spectral data and services are available to the research and academic community only.
COMMENT: All users must cite follwing literature in publication(s).

CH$NAME: UDP-Galactose disodium salt
CH$NAME: Uridine-5'-diphosphogalactose disodium salt
CH$NAME: Uridine-5'-diphosphogalactose
CH$NAME: UDP-D-galactopyranose
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: KEGG C00052
CH$LINK: PUBCHEM CID:23724458
CH$LINK: INCHIKEY HSCJRCZFDFQWRP-UHFFFAOYSA-N

AC$INSTRUMENT: TQD, Waters
AC$INSTRUMENT_TYPE: LC-ESI-QQ
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50

MS$FOCUSED_ION: ION_TYPE [M-H]-
MS$FOCUSED_ION: PRECURSOR_M/Z 565.43

PK$SPLASH: splash10-00di-1009000000-0a5301ae52c294bdf75c
PK$NUM_PEAK: 11
PK$PEAK: m/z int. rel.int.
  79.0 6637.0 120
  97.0 4500.0 81
  211.0 2721.0 49
  241.0 2101.0 38
  321.0 2209.0 40
  322.0 22950.0 416
  323.0 55169.0 999
  324.0 2124.0 38
  385.0 4289.0 78
  566.0 2237.0 41
  567.0 2583.0 47
//

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