MassBank Record: KO002697

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2'-Deoxycytidine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+

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

ACCESSION: KO002697
RECORD_TITLE: 2'-Deoxycytidine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+
DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10)
AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID D055

CH$NAME: 2'-Deoxycytidine
CH$NAME: Deoxycytidine
CH$COMPOUND_CLASS: Natural Product
CH$FORMULA: C9H13N3O4
CH$EXACT_MASS: 227.09061
CH$SMILES: OC[C@@H](O1)[C@@H](O)C[C@@H]1N(C=2)C(=O)N=C(N)C2
CH$IUPAC: InChI=1S/C9H13N3O4/c10-7-1-2-12(9(15)11-7)8-3-5(14)6(4-13)16-8/h1-2,5-6,8,13-14H,3-4H2,(H2,10,11,15)/t5-,6+,8+/m0/s1
CH$LINK: CAS 951-77-9
CH$LINK: CHEBI 15698
CH$LINK: CHEMPDB DCZ
CH$LINK: COMPTOX DTXSID70883620
CH$LINK: INCHIKEY CKTSBUTUHBMZGZ-SHYZEUOFSA-N
CH$LINK: KEGG C00881
CH$LINK: NIKKAJI J14.406A
CH$LINK: PUBCHEM SID:4137

AC$INSTRUMENT: API3000, Applied Biosystems
AC$INSTRUMENT_TYPE: LC-ESI-QQ
AC$MASS_SPECTROMETRY: MS_TYPE: MS2
AC$MASS_SPECTROMETRY: ION_MODE: POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V

MS$FOCUSED_ION: PRECURSOR_M/Z 228
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-03di-0910000000-52e9d173bb94576f7d9e
PK$NUM_PEAK: 28
PK$PEAK: m/z int. rel.int.
  73.9 252476.0 1.0
  81.0 49505.0 1.0
  87.7 19802.0 1.0
  94.3 14851.5 1.0
  98.9 49505.0 1.0
  105.4 49505.0 1.0
  106.7 34653.5 1.0
  110.1 39604.0 1.0
  111.2 39604.0 1.0
  112.1 2.08238E8 999.0
  113.4 14851.5 1.0
  117.0 1326730.0 6.0
  130.3 133664.0 1.0
  146.1 569308.0 3.0
  152.4 207921.0 1.0
  155.3 79208.0 1.0
  164.1 59406.0 1.0
  169.6 19802.0 1.0
  174.4 44554.5 1.0
  175.3 84158.5 1.0
  177.4 29703.0 1.0
  178.5 54455.5 1.0
  193.3 297030.0 1.0
  196.3 94059.5 1.0
  210.2 2306930.0 11.0
  211.4 2851490.0 14.0
  212.0 376238.0 2.0
  228.3 3.78614E7 182.0
//