MassBank Record: KO008940



 2'-Deoxycytidine; LC-ESI-IT; MS2; m/z: 228; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO008940
RECORD_TITLE: 2'-Deoxycytidine; LC-ESI-IT; MS2; m/z: 228; [M+H]+
DATE: 2011.05.10 (2008.05.12)
AUTHORS: Ojima YInstitute for Advanced Biosciences, Keio Univ., Kakazu YInstitute for Advanced Biosciences, Keio Univ., Horai HInstitute for Advanced Biosciences, Keio Univ., Soga TInstitute for Advanced Biosciences, Keio Univ., 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: PUBCHEM 4137 CH$LINK: INCHIKEY CKTSBUTUHBMZGZ-SHYZEUOFSA-N
AC$INSTRUMENT: LC/MSD Trap XCT, Agilent Technologies AC$INSTRUMENT_TYPE: LC-ESI-IT AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 0.60
MS$FOCUSED_ION: PRECURSOR_M/Z 228 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+ MS$DATA_PROCESSING: WHOLE LC/MSD Trap Control and Data Analysis
PK$SPLASH: splash10-03di-0900000000-05258818a022f0a66a09 PK$ANNOTATION: m/z struct. num formula mass 112.1 0 1 C4H6N3O 112.05109 PK$NUM_PEAK: 74 PK$PEAK: m/z int. rel.int. 67.1 17.88 1 68.2 13.41 1 69.1 31.03 1 71.3 22.16 1 74.2 11.25 1 81.2 5.28 1 83.2 14.44 1 84.0 21.34 1 85.2 6.41 1 91.2 3.00 1 93.2 2.53 1 94.1 14.22 1 95.0 153.85 3 96.1 11.75 1 97.0 34.78 1 99.1 3.94 1 100.1 3.94 1 102.2 10.66 1 105.1 2.25 1 107.1 23.34 1 108.1 5.72 1 109.1 10.63 1 109.9 21.88 1 111.2 40.85 1 112.1 59768.80 999 112.9 50.63 1 116.2 31.91 1 117.1 27.97 1 119.0 13.63 1 121.1 12.69 1 123.1 30.75 1 125.9 9.47 1 127.0 18.44 1 129.0 31.25 1 130.1 10.19 1 133.0 20.19 1 136.1 11.19 1 147.1 49.66 1 149.1 2.03 1 151.1 74.85 1 152.1 18.28 1 155.1 2.25 1 157.0 3.66 1 158.1 9.22 1 163.1 2.53 1 165.1 20.97 1 166.2 6.25 1 169.9 20.69 1 170.9 10.56 1 172.0 38.10 1 175.1 246.89 4 178.1 9.84 1 182.0 46.35 1 184.1 8.31 1 185.1 22.94 1 186.1 16.13 1 187.2 3.13 1 192.1 36.22 1 193.2 353.05 6 196.1 3.31 1 198.0 37.31 1 199.0 19.75 1 200.2 7.94 1 209.1 6.19 1 210.2 244.20 4 211.1 181.07 3 228.2 454.96 8 229.1 46.91 1 230.0 24.16 1 231.1 47.22 1 234.9 15.22 1 245.4 7.00 1 252.0 11.28 1 265.1 2.72 1 //