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MassBank Record: PS014605

dG, 2'-Deoxy-G, 2'-Deoxyguanosine monohydrate , 9-(2-Deoxy-beta-D-ribofuranosyl)guanine, Guanine-2'-deoxyriboside; LC-ESI-QQ; MS2

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

ACCESSION: PS014605
RECORD_TITLE: dG, 2'-Deoxy-G, 2'-Deoxyguanosine monohydrate , 9-(2-Deoxy-beta-D-ribofuranosyl)guanine, Guanine-2'-deoxyriboside; 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, D7145.
COMMENT: PRIMe compound in-house ID 146
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$NAME: dG
CH$NAME: 2'-Deoxy-G
CH$NAME: 2'-Deoxyguanosine monohydrate
CH$NAME: 9-(2-Deoxy-beta-D-ribofuranosyl)guanine
CH$NAME: Guanine-2'-deoxyriboside
CH$COMPOUND_CLASS: CLASS1 Other CLASS2 Nucleoside CLASS3 Cytidine
CH$FORMULA: C10H13N5O4
CH$EXACT_MASS: 267.245
CH$SMILES: C1C(C(OC1N2C=NC3=C2NC(=NC3=O)N)CO)O
CH$IUPAC: InChI=1S/C10H13N5O4/c11-10-13-8-7(9(18)14-10)12-3-15(8)6-1-4(17)5(2-16)19-6/h3-6,16-17H,1-2H2,(H3,11,13,14,18)
CH$LINK: CAS 961-07-9
CH$LINK: KEGG C00330
CH$LINK: PUBCHEM CID:187790
CH$LINK: INCHIKEY YKBGVTZYEHREMT-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 268.29

PK$SPLASH: splash10-0udi-3900000000-8229c8959a3e3d780c0e
PK$NUM_PEAK: 19
PK$PEAK: m/z int. rel.int.
  41.0 2329.0 54
  42.0 2763.0 64
  43.0 14060.0 325
  44.0 2287.0 53
  45.0 10882.0 252
  69.0 1588.0 37
  70.0 1295.0 30
  71.0 2644.0 61
  72.0 2504.0 58
  73.0 5442.0 126
  109.0 4350.0 101
  110.0 18129.0 420
  117.0 2650.0 61
  134.0 6636.0 154
  135.0 21951.0 508
  150.0 3257.0 75
  151.0 23086.0 534
  152.0 43153.0 999
  153.0 3072.0 71
//

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