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$EXACT_MASS: 227.090609999999998080966179259121417999267578125
CH$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.
  73.900 252475.5 1
  81.000 49505.0 1
  87.700 19802.0 1
  94.300 14851.5 1
  98.900 49505.0 1
  105.400 49505.0 1
  106.700 34653.5 1
  110.100 39604.0 1
  111.200 39604.0 1
  112.100 208237832.0 999
  113.400 14851.5 1
  117.000 1326734.0 6
  130.300 133663.5 1
  146.100 569307.5 3
  152.400 207921.0 1
  155.300 79208.0 1
  164.100 59406.0 1
  169.600 19802.0 1
  174.400 44554.5 1
  175.300 84158.5 1
  177.400 29703.0 1
  178.500 54455.5 1
  193.300 297030.0 1
  196.300 94059.5 1
  210.200 2306933.0 11
  211.400 2851488.0 14
  212.000 376238.0 2
  228.300 37861424.0 182
//