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MassBank Record: PS036504

araU, Uridine, Uracilriboside, 1-beta-D-Ribofuranosyluracil, Uracil-1-beta-D-ribofuranoside; LC-ESI-QQ; MS2

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

ACCESSION: PS036504
RECORD_TITLE: araU, Uridine, Uracilriboside, 1-beta-D-Ribofuranosyluracil, Uracil-1-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, U3750.
COMMENT: PRIMe compound in-house ID 365
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$NAME: araU
CH$NAME: Uridine
CH$NAME: Uracilriboside
CH$NAME: 1-beta-D-Ribofuranosyluracil
CH$NAME: Uracil-1-beta-D-ribofuranoside
CH$COMPOUND_CLASS: CLASS1 Other CLASS2 Nucleoside CLASS3 Uridine
CH$FORMULA: C9H12N2O6
CH$EXACT_MASS: 244.203
CH$SMILES: C1=CN(C(=O)NC1=O)C2C(C(C(O2)CO)O)O
CH$IUPAC: InChI=1S/C9H12N2O6/c12-3-4-6(14)7(15)8(17-4)11-2-1-5(13)10-9(11)16/h1-2,4,6-8,12,14-15H,3H2,(H,10,13,16)
CH$LINK: CAS 58-96-8
CH$LINK: KEGG C00299
CH$LINK: PUBCHEM CID:6029
CH$LINK: INCHIKEY DRTQHJPVMGBUCF-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 40

MS$FOCUSED_ION: ION_TYPE [M+H]+
MS$FOCUSED_ION: PRECURSOR_M/Z 245.27

PK$SPLASH: splash10-03di-2900000000-8bf81ef504bfa3ce9566
PK$NUM_PEAK: 11
PK$PEAK: m/z int. rel.int.
  41.0 3889.0 52
  43.0 4470.0 60
  55.0 2412.0 32
  57.0 4650.0 62
  70.0 8111.0 109
  95.0 3209.0 43
  96.0 3607.0 48
  111.0 2266.0 30
  112.0 26454.0 354
  113.0 74596.0 999
  244.0 2900.0 39
//

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