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MassBank Record: PS014608

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: PS014608
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 NEGATIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20

MS$FOCUSED_ION: ION_TYPE [M-H]-
MS$FOCUSED_ION: PRECURSOR_M/Z 266.26

PK$SPLASH: splash10-014i-0290000000-0e2791076ec0fcecad94
PK$NUM_PEAK: 4
PK$PEAK: m/z int. rel.int.
  149.0 11289.0 115
  150.0 30100.0 308
  265.0 29731.0 304
  266.0 97711.0 999
//

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