ACCESSION: MSBNK-RIKEN_ReSpect-PS024304
RECORD_TITLE: GDP-Man, Guanosine 5'-Diphospho-D-mannose Sodium Salt, GDP-mannose, Guanosine-5'-diphosphate-D-mannose sodium salt; 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, G5131.
COMMENT: PRIMe compound in-house ID 243
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$NAME: GDP-Man
CH$NAME: Guanosine 5'-Diphospho-D-mannose Sodium Salt
CH$NAME: GDP-mannose
CH$NAME: Guanosine-5'-diphosphate-D-mannose sodium salt
CH$COMPOUND_CLASS: CLASS1 Other CLASS2 Nucleotide CLASS3 Guanosine phosphate
CH$FORMULA: C₁₆H₂₅N₅O₁₆P₂
CH$EXACT_MASS: 605.347
CH$SMILES: C1=NC2=C(N1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OC4C(C(C(C(O4)CO)O)O)O)O)O)NC(=NC2=O)N
CH$IUPAC: InChI=1S/C16H25N5O16P2/c17-16-19-12-6(13(28)20-16)18-3-21(12)14-10(26)8(24)5(34-14)2-33-38(29,30)37-39(31,32)36-15-11(27)9(25)7(23)4(1-22)35-15/h3-5,7-11,14-15,22-27H,1-2H2,(H,29,30)(H,31,32)(H3,17,19,20,28)
CH$LINK: CAS 3123-67-9
CH$LINK: KEGG C00096
CH$LINK: PUBCHEM CID:18396
CH$LINK: INCHIKEY MVMSCBBUIHUTGJ-UHFFFAOYSA-N

AC$INSTRUMENT: TQD, Waters
AC$INSTRUMENT_TYPE: LC-ESI-QQ
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40

MS$FOCUSED_ION: ION_TYPE [M+H]+
MS$FOCUSED_ION: PRECURSOR_M/Z 606.44

PK$SPLASH: splash10-0udi-0900100000-3903bb3362def11dadc2
PK$NUM_PEAK: 3
PK$PEAK: m/z int. rel.int.
  151.0 24645.0 149
  152.0 165411.0 999
  444.0 25637.0 155
//