MassBank MassBank Search Contents Download

MassBank Record: PS024211

Guanosine-3',5'-cyclic monophosphate, cGMP, cyclic GMP; LC-ESI-QQ; MS2

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: PS024211
RECORD_TITLE: Guanosine-3',5'-cyclic monophosphate, cGMP, cyclic GMP; 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, G7504.
COMMENT: PRIMe compound in-house ID 242
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$NAME: Guanosine-3',5'-cyclic monophosphate
CH$NAME: cGMP
CH$NAME: cyclic GMP
CH$COMPOUND_CLASS: CLASS1 Other CLASS2 Nucleotide CLASS3 Guanosine phosphate
CH$FORMULA: C10H12N5O7P
CH$EXACT_MASS: 345.21
CH$SMILES: C1C2C(C(C(O2)N3C=NC4=C3NC(=NC4=O)N)O)OP(=O)(O1)O
CH$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)
CH$LINK: CAS 7665-99-8
CH$LINK: KEGG C00942
CH$LINK: PUBCHEM CID:24316
CH$LINK: INCHIKEY ZOOGRGPOEVQQDX-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 50

MS$FOCUSED_ION: ION_TYPE [M-H]-
MS$FOCUSED_ION: PRECURSOR_M/Z 344.27

PK$SPLASH: splash10-0ue9-1900000000-7501ae69a423a28b3f21
PK$NUM_PEAK: 5
PK$PEAK: m/z int. rel.int.
  79.0 17696.0 279
  132.0 11950.0 188
  133.0 25066.0 395
  149.0 11175.0 176
  150.0 63406.0 999
//

system version 2.1.10-SNAPSHOT
Copyright © 2006 MassBank Project; 2011 NORMAN Association; 2021 MassBank Consortium