ACCESSION: MSBNK-Keio_Univ-KO000611
RECORD_TITLE: 2'-Deoxycytidine; LC-ESI-QQ; MS2; CE:30 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 30 V

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

PK$SPLASH: splash10-0006-9200000000-297a4fef750eac4c8d96
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
  42.000 1306932.0 183
  59.200 64356.5 9
  65.900 415842.0 58
  66.900 14851.5 2
  93.100 7133670.5 999
  93.900 89109.0 12
  97.100 34653.5 5
  104.200 19802.0 3
  106.400 59406.0 8
  110.000 297030.0 42
  128.300 84158.5 12
  131.900 356436.0 50
  132.800 133663.5 19
  135.200 584159.0 82
  144.600 39604.0 6
  148.700 49505.0 7
  149.900 34653.5 5
  160.800 123762.5 17
  162.300 49505.0 7
  175.200 762377.0 107
  176.600 29703.0 4
  189.100 69307.0 10
  190.200 34653.5 5
  226.300 89109.0 12
  280.600 153465.5 21
//