MassBank Record: KO002699



 2'-Deoxycytidine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO002699
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$LINK: PUBCHEM SID:4137
AC$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 30 V
MS$FOCUSED_ION: PRECURSOR_M/Z 228 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-03di-0900000000-551d8ee9679ef3fb65fa PK$NUM_PEAK: 53 PK$PEAK: m/z int. rel.int. 43.000 222772.5 2 45.100 217822.0 2 53.000 24752.5 1 57.200 138614.0 1 60.100 54455.5 1 67.000 34653.5 1 69.000 1099011.0 9 71.000 900991.0 7 73.000 2183170.5 17 73.900 178218.0 1 74.300 34653.5 1 80.800 653466.0 5 83.400 24752.5 1 84.000 138614.0 1 84.500 79208.0 1 87.000 237624.0 2 91.000 39604.0 1 94.200 460396.5 4 95.100 2138616.0 17 97.000 14851.5 1 99.000 1658417.5 13 105.100 153465.5 1 107.100 64356.5 1 109.400 74257.5 1 110.200 118812.0 1 111.400 118812.0 1 112.200 128589237.5 999 113.800 9901.0 1 116.900 1866338.5 14 121.000 99010.0 1 121.200 39604.0 1 123.300 44554.5 1 124.000 19802.0 1 124.900 49505.0 1 127.200 29703.0 1 128.800 9901.0 1 129.900 19802.0 1 133.100 44554.5 1 137.400 173267.5 1 146.200 24752.5 1 150.100 49505.0 1 151.100 29703.0 1 155.000 59406.0 1 164.200 188119.0 1 165.000 64356.5 1 168.300 24752.5 1 183.100 34653.5 1 183.300 19802.0 1 193.500 306931.0 2 194.300 29703.0 1 210.100 29703.0 1 212.000 74257.5 1 228.400 59406.0 1 //