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MassBank Record: KO000610

2'-Deoxycytidine; LC-ESI-QQ; MS2; CE:20 V; [M-H]-

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

ACCESSION: KO000610
RECORD_TITLE: 2'-Deoxycytidine; LC-ESI-QQ; MS2; CE:20 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$LINK: KEGG C00881
CH$LINK: NIKKAJI J14.406A
CH$LINK: PUBCHEM SID:4137
CH$LINK: INCHIKEY CKTSBUTUHBMZGZ-SHYZEUOFSA-N
CH$LINK: COMPTOX DTXSID70883620

AC$INSTRUMENT: API3000, Applied Biosystems
AC$INSTRUMENT_TYPE: LC-ESI-QQ
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V

MS$FOCUSED_ION: PRECURSOR_M/Z 226
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-

PK$SPLASH: splash10-0006-9420000000-562a675c6278a4ae2bc4
PK$NUM_PEAK: 33
PK$PEAK: m/z int. rel.int.
  42.000 821783.0 97
  59.400 54455.5 6
  84.900 39604.0 5
  93.100 8480206.5 999
  97.000 49505.0 6
  102.500 14851.5 2
  110.300 504951.0 59
  128.100 84158.5 10
  131.800 49505.0 6
  133.000 39604.0 5
  135.000 1524754.0 180
  135.900 311881.5 37
  148.800 34653.5 4
  151.900 14851.5 2
  161.800 480198.5 57
  166.100 24752.5 3
  173.800 99010.0 12
  175.400 623763.0 73
  176.300 69307.0 8
  182.600 133663.5 16
  182.800 173267.5 20
  189.300 49505.0 6
  190.100 89109.0 10
  205.000 623763.0 73
  226.600 2094061.5 247
  280.300 113861.5 13
  281.000 29703.0 3
  307.200 19802.0 2
  324.300 29703.0 3
  324.600 24752.5 3
  336.600 24752.5 3
  350.300 54455.5 6
  364.300 49505.0 6
//

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