ACCESSION: MSBNK-RIKEN_ReSpect-PS014404
RECORD_TITLE: 2'-Deoxycytidine, dC, dCYD, 2'-Deoxy-CYD, Cytosine 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, D3897.
COMMENT: PRIMe compound in-house ID 144
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$NAME: 2'-Deoxycytidine
CH$NAME: dC
CH$NAME: dCYD
CH$NAME: 2'-Deoxy-CYD
CH$NAME: Cytosine deoxyriboside
CH$COMPOUND_CLASS: CLASS1 Other CLASS2 Nucleoside CLASS3 Cytidine
CH$FORMULA: C₉H₁₃N₃O₄
CH$EXACT_MASS: 227.22
CH$SMILES: C1C(C(OC1N2C=CC(=NC2=O)N)CO)O
CH$IUPAC: InChI=1S/C9H13N3O4/c10-7-1-2-12(9(15)11-7)8-3-5(14)6(4-13)16-8/h1-2,5-6,8,13-14H,3-4H2,(H2,10,11,15)
CH$LINK: CAS 951-77-9
CH$LINK: KEGG C00881
CH$LINK: PUBCHEM CID:13711
CH$LINK: INCHIKEY CKTSBUTUHBMZGZ-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 228.25

PK$SPLASH: splash10-03di-1900000000-61cd9e7f5d6f7bdd7d59
PK$NUM_PEAK: 9
PK$PEAK: m/z int. rel.int.
  43.0 6412.0 49
  45.0 4722.0 36
  69.0 5883.0 45
  94.0 11177.0 86
  95.0 9779.0 75
  110.0 7691.0 59
  111.0 50970.0 391
  112.0 130321.0 999
  113.0 4334.0 33
//