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MassBank Record: KO002700

2'-Deoxycytidine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+

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

ACCESSION: KO002700
RECORD_TITLE: 2'-Deoxycytidine; LC-ESI-QQ; MS2; CE:40 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 POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V

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

PK$SPLASH: splash10-03di-3900000000-6d5290db43d9b03bdf61
PK$NUM_PEAK: 44
PK$PEAK: m/z int. rel.int.
  40.900 84158.5 1
  43.200 470297.5 8
  44.900 603961.0 10
  53.000 54455.5 1
  55.200 54455.5 1
  57.300 222772.5 4
  60.000 54455.5 1
  67.000 198020.0 3
  68.000 198020.0 3
  69.100 3732677.0 60
  71.100 742575.0 12
  73.000 1871289.0 30
  74.100 103960.5 2
  77.000 44554.5 1
  78.900 44554.5 1
  81.300 524753.0 8
  84.200 158416.0 3
  87.100 153465.5 2
  90.900 39604.0 1
  94.100 2811884.0 45
  95.100 10792090.0 172
  99.100 336634.0 5
  105.300 108911.0 2
  105.900 29703.0 1
  109.300 24752.5 1
  110.300 247525.0 4
  111.300 39604.0 1
  112.100 62633726.0 999
  116.900 178218.0 3
  121.000 69307.0 1
  122.300 34653.5 1
  124.100 19802.0 1
  137.200 84158.5 1
  138.300 44554.5 1
  139.400 14851.5 1
  150.300 29703.0 1
  152.100 44554.5 1
  153.300 19802.0 1
  164.100 252475.5 4
  165.000 44554.5 1
  169.400 34653.5 1
  180.100 39604.0 1
  193.000 29703.0 1
  212.300 29703.0 1
//

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