ACCESSION: MSBNK-RIKEN-PR100563
RECORD_TITLE: Guanosine-3',5'-cyclic 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$NAME: Guanosine-3',5'-cyclic monophosphate
CH$NAME: cGMP
CH$NAME: cyclic GMP
CH$COMPOUND_CLASS: Natural Product; Nucleoside; Phosphates
CH$FORMULA: C₁₀H₁₂N₅O₇P
CH$EXACT_MASS: 345.04743
CH$SMILES: NC(N4)=Nc(c3C(=O)4)n(cn3)[C@H](O1)[C@H](O)[C@H](O2)[C@@H](COP(O)(=O)2)1
CH$IUPAC: InChI=1S/C10H12N5O7P/c11-10-13-7-4(8(17)14-10)12-2-15(7)9-5(16)6-3(21-9)1-20-23(18,19)22-6/h2-3,5-6,9,16H,1H2,(H,18,19)(H3,11,13,14,17)/t3-,5-,6-,9-/m1/s1
CH$LINK: CAS 7665-99-8
CH$LINK: CHEMSPIDER 22734
CH$LINK: COMPTOX DTXSID8040646
CH$LINK: INCHIKEY ZOOGRGPOEVQQDX-UUOKFMHZSA-N
CH$LINK: KEGG C00942
CH$LINK: KNAPSACK C00019673
CH$LINK: PUBCHEM CID:135398570

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$FOCUSED_ION: PRECURSOR_M/Z 344.03963
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-

PK$SPLASH: splash10-0uec-2904000000-85af5865e64af24e7691
PK$NUM_PEAK: 7
PK$PEAK: m/z int. rel.int.
  78.9604 1418 482
  96.9707 184.7 63
  107.0371 160.5 55
  108.0212 370 126
  133.0162 1769 601
  150.0426 2939 999
  344.0396 2768 941
//