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MassBank Record: PS025602

9-beta-D-ribofuranosylhypoxanthine, INO, (?)-Inosine, Oxiamin, Trophicardyl, Ribonosine, Inosine, Hypoxanthine 9-beta-D-ribofuranoside, beta-Inosine, Hypoxanthine ribonucleoside; LC-ESI-QQ; MS2

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

ACCESSION: PS025602
RECORD_TITLE: 9-beta-D-ribofuranosylhypoxanthine, INO, (?)-Inosine, Oxiamin, Trophicardyl, Ribonosine, Inosine, Hypoxanthine 9-beta-D-ribofuranoside, beta-Inosine, Hypoxanthine ribonucleoside; 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, I4125.
COMMENT: PRIMe compound in-house ID 256
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$NAME: 9-beta-D-ribofuranosylhypoxanthine
CH$NAME: INO
CH$NAME: (?)-Inosine
CH$NAME: Oxiamin
CH$NAME: Trophicardyl
CH$NAME: Ribonosine
CH$NAME: Inosine
CH$NAME: Hypoxanthine 9-beta-D-ribofuranoside
CH$NAME: beta-Inosine
CH$NAME: Hypoxanthine ribonucleoside
CH$COMPOUND_CLASS: CLASS1 Other CLASS2 Nucleoside CLASS3 Inosine
CH$FORMULA: C10H12N4O5
CH$EXACT_MASS: 268.229
CH$SMILES: C1=NC(=O)C2=C(N1)N(C=N2)C3C(C(C(O3)CO)O)O
CH$IUPAC: InChI=1S/C10H12N4O5/c15-1-4-6(16)7(17)10(19-4)14-3-13-5-8(14)11-2-12-9(5)18/h2-4,6-7,10,15-17H,1H2,(H,11,12,18)
CH$LINK: CAS 58-63-9
CH$LINK: KEGG C00294
CH$LINK: PUBCHEM CID:6021
CH$LINK: INCHIKEY UGQMRVRMYYASKQ-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 20

MS$FOCUSED_ION: ION_TYPE [M+H]+
MS$FOCUSED_ION: PRECURSOR_M/Z 269.29

PK$SPLASH: splash10-000i-0900000000-b056214cca50cbc2155f
PK$NUM_PEAK: 2
PK$PEAK: m/z int. rel.int.
  136.0 187114.0 245
  137.0 762305.0 999
//

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