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MassBank Record: MSBNK-Keio_Univ-KO002698

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: MSBNK-Keio_Univ-KO002698
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 POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V

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

PK$SPLASH: splash10-03di-0900000000-e06e5a9f19c4162aa24f
PK$NUM_PEAK: 45
PK$PEAK: m/z int. rel.int.
  56.900 44554.5 1
  60.000 79208.0 1
  69.200 64356.5 1
  71.200 232673.5 1
  72.900 519802.5 3
  74.000 158416.0 1
  75.200 29703.0 1
  80.900 202970.5 1
  83.100 24752.5 1
  84.300 44554.5 1
  87.300 118812.0 1
  94.100 49505.0 1
  95.000 227723.0 1
  96.800 34653.5 1
  99.100 1262377.5 7
  104.100 24752.5 1
  104.900 153465.5 1
  105.400 19802.0 1
  109.400 113861.5 1
  111.400 74257.5 1
  112.200 177856613.5 999
  113.900 19802.0 1
  117.000 5722778.0 32
  119.400 29703.0 1
  120.200 49505.0 1
  122.900 39604.0 1
  133.300 34653.5 1
  135.200 54455.5 1
  137.400 39604.0 1
  141.300 24752.5 1
  146.100 386139.0 2
  149.000 34653.5 1
  149.900 9901.0 1
  152.200 69307.0 1
  154.400 19802.0 1
  164.100 59406.0 1
  169.300 49505.0 1
  174.500 24752.5 1
  175.100 54455.5 1
  193.200 425743.0 2
  194.400 49505.0 1
  210.200 1014852.5 6
  211.300 608911.5 3
  212.400 217822.0 1
  228.400 272277.5 2
//

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