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MassBank Record: MSBNK-RIKEN_ReSpect-PS024105

9-(beta-D-Ribofuranosyl)guanine, Guanine Riboside, GR, Vernine, Guanidine, Guanosine, Guanine-9-beta-D-ribofuranoside; LC-ESI-QQ; MS2

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

ACCESSION: MSBNK-RIKEN_ReSpect-PS024105
RECORD_TITLE: 9-(beta-D-Ribofuranosyl)guanine, Guanine Riboside, GR, Vernine, Guanidine, Guanosine, Guanine-9-beta-D-ribofuranoside; 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, G6752.
COMMENT: PRIMe compound in-house ID 241
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$NAME: 9-(beta-D-Ribofuranosyl)guanine
CH$NAME: Guanine Riboside
CH$NAME: GR
CH$NAME: Vernine
CH$NAME: Guanidine
CH$NAME: Guanosine
CH$NAME: Guanine-9-beta-D-ribofuranoside
CH$COMPOUND_CLASS: CLASS1 Other CLASS2 Nucleoside CLASS3 Guanosine
CH$FORMULA: C10H13N5O5
CH$EXACT_MASS: 283.244
CH$SMILES: C1=NC2=C(N1C3C(C(C(O3)CO)O)O)NC(=NC2=O)N
CH$IUPAC: InChI=1S/C10H13N5O5/c11-10-13-7-4(8(19)14-10)12-2-15(7)9-6(18)5(17)3(1-16)20-9/h2-3,5-6,9,16-18H,1H2,(H3,11,13,14,19)
CH$LINK: CAS 118-00-3
CH$LINK: KEGG C00387
CH$LINK: PUBCHEM CID:6802
CH$LINK: INCHIKEY NYHBQMYGNKIUIF-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 50

MS$FOCUSED_ION: ION_TYPE [M+H]+
MS$FOCUSED_ION: PRECURSOR_M/Z 284.29

PK$SPLASH: splash10-0udi-0900000000-bcb2d1dea97475b939e1
PK$NUM_PEAK: 10
PK$PEAK: m/z int. rel.int.
  109.0 9339.0 97
  110.0 21920.0 228
  133.0 2956.0 31
  134.0 13797.0 143
  135.0 36316.0 377
  149.0 3935.0 41
  150.0 11399.0 118
  151.0 55848.0 580
  152.0 96212.0 999
  153.0 5463.0 57
//

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