MassBank Record: 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) \n

ACCESSION: 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$LINK: PUBCHEM SID:4137
AC$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 //