MassBank Record: KO008941



 2'-Deoxycytidine; LC-ESI-IT; MS3; m/z: 228/112; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO008941
RECORD_TITLE: 2'-Deoxycytidine; LC-ESI-IT; MS3; m/z: 228/112; [M+H]+
DATE: 2011.12.05 (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
COMMENT: [MS2] KO008940

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 MS3 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 0.60/0.55
MS$FOCUSED_ION: PRECURSOR_M/Z 228/112 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+ MS$DATA_PROCESSING: WHOLE LC/MSD Trap Control and Data Analysis
PK$SPLASH: splash10-03dj-6900000000-dfa8435d3dd8b8981621 PK$NUM_PEAK: 4 PK$PEAK: m/z int. rel.int. 69.1 3.45 394 95.0 5.80 662 112.1 8.75 999 187.1 4.00 457 //