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MassBank Record: PS014601

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: PS014601
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 10

MS$FOCUSED_ION: ION_TYPE [M+H]+
MS$FOCUSED_ION: PRECURSOR_M/Z 268.29

PK$SPLASH: splash10-0udi-0920000000-145d10d3599ee67bc964
PK$NUM_PEAK: 4
PK$PEAK: m/z int. rel.int.
  151.0 132007.0 143
  152.0 924205.0 999
  267.0 30983.0 33
  268.0 277797.0 300
//

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