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MassBank Record: PS035504

Dthyd, 5-Methyldeoxyurindine, Thymine-2'-deoxyriboside, 1-(2-Deoxy-beta-D-ribofuranosyl)-5-methyluracil, Thymidine, 5-Methyldeoxyuridine, 2'-Deoxythymidine, 1-(2-Deoxy-beta-D-ribofuranosyl)thymine, dT, dThd; LC-ESI-QQ; MS2

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

ACCESSION: PS035504
RECORD_TITLE: Dthyd, 5-Methyldeoxyurindine, Thymine-2'-deoxyriboside, 1-(2-Deoxy-beta-D-ribofuranosyl)-5-methyluracil, Thymidine, 5-Methyldeoxyuridine, 2'-Deoxythymidine, 1-(2-Deoxy-beta-D-ribofuranosyl)thymine, dT, dThd; 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, T1895.
COMMENT: PRIMe compound in-house ID 355
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$NAME: Dthyd
CH$NAME: 5-Methyldeoxyurindine
CH$NAME: Thymine-2'-deoxyriboside
CH$NAME: 1-(2-Deoxy-beta-D-ribofuranosyl)-5-methyluracil
CH$NAME: Thymidine
CH$NAME: 5-Methyldeoxyuridine
CH$NAME: 2'-Deoxythymidine
CH$NAME: 1-(2-Deoxy-beta-D-ribofuranosyl)thymine
CH$NAME: dT
CH$NAME: dThd
CH$COMPOUND_CLASS: CLASS1 Other CLASS2 Nucleoside CLASS3 Thymidine
CH$FORMULA: C10H14N2O5
CH$EXACT_MASS: 242.231
CH$SMILES: CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)O
CH$IUPAC: InChI=1S/C10H14N2O5/c1-5-3-12(10(16)11-9(5)15)8-2-6(14)7(4-13)17-8/h3,6-8,13-14H,2,4H2,1H3,(H,11,15,16)
CH$LINK: CAS 50-89-5
CH$LINK: KEGG C00214
CH$LINK: PUBCHEM CID:5789
CH$LINK: INCHIKEY IQFYYKKMVGJFEH-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 243.27

PK$SPLASH: splash10-004i-3900000000-a6a61ffecec2d0bed37f
PK$NUM_PEAK: 14
PK$PEAK: m/z int. rel.int.
  42.0 2251.0 49
  43.0 5002.0 109
  45.0 4099.0 90
  69.0 2108.0 46
  73.0 4588.0 100
  84.0 1713.0 37
  98.0 2442.0 53
  99.0 4550.0 99
  109.0 3964.0 87
  110.0 5650.0 124
  117.0 2710.0 59
  125.0 3317.0 73
  126.0 17601.0 385
  127.0 45688.0 999
//

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