ACCESSION: MSBNK-RIKEN_ReSpect-PT202460
RECORD_TITLE: Guanosine monophosphate, 5'-GMP, Guanosine-5'-monophosphate disodium salt hydrate from Yeast, G-5'-P, GMP, Guanylic acid, [(2R,3S,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate; 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$NAME: Guanosine monophosphate
CH$NAME: 5'-GMP
CH$NAME: Guanosine-5'-monophosphate disodium salt hydrate from Yeast
CH$NAME: G-5'-P
CH$NAME: GMP
CH$NAME: Guanylic acid
CH$NAME: [(2R,3S,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
CH$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: INCHIKEY RQFCJASXJCIDSX-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 362.0502

PK$SPLASH: splash10-01t9-9114000000-9a1071a2e17ea3ca268c
PK$NUM_PEAK: 6
PK$PEAK: m/z int. rel.int.
  78.9597 1782.0 999
  96.9699 291.4 163
  133.0149 181.2 102
  150.0415 203.1 114
  211.0005 412.2 231
  362.0502 998.6 560
//