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MassBank Record: PS048003

dGMP, Deoxy-GMP, 5'-Deoxyguanylic acid, 2'-deoxyguanosine 5'-monophosphate sodium salt hydrate, vernine; LC-ESI-QQ; MS2

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

ACCESSION: PS048003
RECORD_TITLE: dGMP, Deoxy-GMP, 5'-Deoxyguanylic acid, 2'-deoxyguanosine 5'-monophosphate sodium salt hydrate, vernine; 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, D9500.
COMMENT: PRIMe compound in-house ID H0077
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$NAME: dGMP
CH$NAME: Deoxy-GMP
CH$NAME: 5'-Deoxyguanylic acid
CH$NAME: 2'-deoxyguanosine 5'-monophosphate sodium salt hydrate
CH$NAME: vernine
CH$COMPOUND_CLASS: CLASS1 Other CLASS2 Nucleoside CLASS3 Guanosine phosphate
CH$FORMULA: C10H14N5O7P
CH$EXACT_MASS: 347.226
CH$SMILES: C1C(C(OC1N2C=NC3=C2NC(=NC3=O)N)COP(=O)(O)O)O
CH$IUPAC: InChI=1S/C10H14N5O7P/c11-10-13-8-7(9(17)14-10)12-3-15(8)6-1-4(16)5(22-6)2-21-23(18,19)20/h3-6,16H,1-2H2,(H2,18,19,20)(H3,11,13,14,17)
CH$LINK: CAS 902-04-5
CH$LINK: KEGG C00362
CH$LINK: PUBCHEM CID:65059
CH$LINK: INCHIKEY LTFMZDNNPPEQNG-UHFFFAOYSA-N

AC$INSTRUMENT: TQD, Waters
AC$INSTRUMENT_TYPE: LC-ESI-QQ
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30

MS$FOCUSED_ION: ION_TYPE [M+H]+
MS$FOCUSED_ION: PRECURSOR_M/Z 348.29

PK$SPLASH: splash10-0udi-2900000000-50377c20a591d6918258
PK$NUM_PEAK: 4
PK$PEAK: m/z int. rel.int.
  80.0 18140.0 62
  81.0 68867.0 236
  151.0 51847.0 178
  152.0 291350.0 999
//

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