MassBank Record: KO002700



 2'-Deoxycytidine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO002700
RECORD_TITLE: 2'-Deoxycytidine; LC-ESI-QQ; MS2; CE:40 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 40 V
MS$FOCUSED_ION: PRECURSOR_M/Z 228 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-03di-3900000000-6d5290db43d9b03bdf61 PK$NUM_PEAK: 44 PK$PEAK: m/z int. rel.int. 40.900 84158.5 1 43.200 470297.5 8 44.900 603961.0 10 53.000 54455.5 1 55.200 54455.5 1 57.300 222772.5 4 60.000 54455.5 1 67.000 198020.0 3 68.000 198020.0 3 69.100 3732677.0 60 71.100 742575.0 12 73.000 1871289.0 30 74.100 103960.5 2 77.000 44554.5 1 78.900 44554.5 1 81.300 524753.0 8 84.200 158416.0 3 87.100 153465.5 2 90.900 39604.0 1 94.100 2811884.0 45 95.100 10792090.0 172 99.100 336634.0 5 105.300 108911.0 2 105.900 29703.0 1 109.300 24752.5 1 110.300 247525.0 4 111.300 39604.0 1 112.100 62633726.0 999 116.900 178218.0 3 121.000 69307.0 1 122.300 34653.5 1 124.100 19802.0 1 137.200 84158.5 1 138.300 44554.5 1 139.400 14851.5 1 150.300 29703.0 1 152.100 44554.5 1 153.300 19802.0 1 164.100 252475.5 4 165.000 44554.5 1 169.400 34653.5 1 180.100 39604.0 1 193.000 29703.0 1 212.300 29703.0 1 //