ACCESSION: MSBNK-RIKEN-PR100754
RECORD_TITLE: Guanosine 5'-monophosphate; LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
DATE: 2016.01.19 (Created 2010.06.21, modified 2011.05.06)
AUTHORS: Matsuda F, Suzuki M, Sawada Y, Plant Science Center, RIKEN.
LICENSE: CC BY-SA
COMMENT: Acquisition and generation of the data is financially supported in part by CREST/JST.

CH$NAME: Guanosine 5'-monophosphate
CH$NAME: GMP
CH$NAME: G-5'-P
CH$NAME: 5'-GMP
CH$NAME: Guanosine monophosphate
CH$NAME: Guanylic acid
CH$COMPOUND_CLASS: Natural Product; Nucleoside; Phosphates
CH$FORMULA: C₁₀H₁₄N₅O₈P
CH$EXACT_MASS: 363.05800
CH$SMILES: NC(N3)=Nc(c2C(=O)3)n(cn2)C(O1)C(O)C(O)C(COP(O)(O)=O)1
CH$IUPAC: InChI=1S/C10H14N5O8P/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(23-9)1-22-24(19,20)21/h2-3,5-6,9,16-17H,1H2,(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1
CH$LINK: CAS 85-32-5
CH$LINK: CHEMSPIDER 6545
CH$LINK: KAPPAVIEW KPC00585
CH$LINK: KEGG C00144
CH$LINK: KNAPSACK C00019635
CH$LINK: PUBCHEM CID:135398631
CH$LINK: INCHIKEY RQFCJASXJCIDSX-UUOKFMHZSA-N
CH$LINK: COMPTOX DTXSID9044295

AC$INSTRUMENT: UPLC Q-Tof Premier, Waters
AC$INSTRUMENT_TYPE: LC-ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY Ramp 5-60 V
AC$MASS_SPECTROMETRY: DATAFORMAT Continuum
AC$MASS_SPECTROMETRY: DESOLVATION_GAS_FLOW 600.0 L/Hr
AC$MASS_SPECTROMETRY: DESOLVATION_TEMPERATURE 400 C
AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE LOW-ENERGY CID
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: SOURCE_TEMPERATURE 120 C
AC$CHROMATOGRAPHY: CAPILLARY_VOLTAGE 3.0 kV
AC$CHROMATOGRAPHY: SAMPLING_CONE 23.0 V
AC$CHROMATOGRAPHY: SOLVENT A CH3CN(0.1%HCOOH)
AC$CHROMATOGRAPHY: SOLVENT B H2O(0.1%HCOOH)

MS$FOCUSED_ION: DERIVATIVE_FORM C10H14N5O8P.x(H2O)
MS$FOCUSED_ION: DERIVATIVE_MASS -
MS$FOCUSED_ION: PRECURSOR_M/Z 362.0502
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-

PK$SPLASH: splash10-01t9-9113000000-05a8989070e3b89138f1
PK$NUM_PEAK: 6
PK$PEAK: m/z int. rel.int.
  78.9602 3134 999
  96.9706 527.9 168
  133.0161 331.2 106
  150.0427 335.6 107
  211.0018 701 223
  362.0502 1577 503
//