MassBank Record: KO000610



 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: KO000610
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$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V
MS$FOCUSED_ION: PRECURSOR_M/Z 226 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-0006-9420000000-562a675c6278a4ae2bc4 PK$NUM_PEAK: 33 PK$PEAK: m/z int. rel.int. 42.000 821783.0 97 59.400 54455.5 6 84.900 39604.0 5 93.100 8480206.5 999 97.000 49505.0 6 102.500 14851.5 2 110.300 504951.0 59 128.100 84158.5 10 131.800 49505.0 6 133.000 39604.0 5 135.000 1524754.0 180 135.900 311881.5 37 148.800 34653.5 4 151.900 14851.5 2 161.800 480198.5 57 166.100 24752.5 3 173.800 99010.0 12 175.400 623763.0 73 176.300 69307.0 8 182.600 133663.5 16 182.800 173267.5 20 189.300 49505.0 6 190.100 89109.0 10 205.000 623763.0 73 226.600 2094061.5 247 280.300 113861.5 13 281.000 29703.0 3 307.200 19802.0 2 324.300 29703.0 3 324.600 24752.5 3 336.600 24752.5 3 350.300 54455.5 6 364.300 49505.0 6 //