ACCESSION: MSBNK-RIKEN_ReSpect-PS071408
RECORD_TITLE: Guanosine monophosphate, 5'-GMP, G-5'-P, GMP, Guanosine-5'-monophosphate, Guanylic acid; 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 Wako, 070-01141.
COMMENT: PRIMe compound in-house ID S0111
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$NAME: Guanosine monophosphate
CH$NAME: 5'-GMP
CH$NAME: G-5'-P
CH$NAME: GMP
CH$NAME: Guanosine-5'-monophosphate
CH$NAME: Guanylic acid
CH$COMPOUND_CLASS: CLASS1 Other CLASS2 Nucleotide CLASS3 Guanosine phosphate
CH$FORMULA: C₁₀H₁₄N₅O₈P
CH$EXACT_MASS: 363.225
CH$SMILES: C1=NC2=C(N1C3C(C(C(O3)COP(=O)(O)O)O)O)NC(=NC2=O)N
CH$IUPAC: InChI=1S/C10H14N5O8P/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(23-9)1-22-24(19,20)21/h2-3,5-6,9,16-17H,1H2,(H2,19,20,21)(H3,11,13,14,18)
CH$LINK: CAS 85-32-5
CH$LINK: KEGG C00144
CH$LINK: PUBCHEM CID:6804
CH$LINK: INCHIKEY RQFCJASXJCIDSX-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 20

MS$FOCUSED_ION: ION_TYPE [M-H]-
MS$FOCUSED_ION: PRECURSOR_M/Z 362.29

PK$SPLASH: splash10-03di-0009000000-3e1025d6742201958fc2
PK$NUM_PEAK: 5
PK$PEAK: m/z int. rel.int.
  79.0 24323.0 133
  211.0 10596.0 58
  361.0 54424.0 297
  362.0 182907.0 999
  363.0 7392.0 40
//