MassBank Record: KO008947



 2'-Deoxyadenosine; LC-ESI-IT; MS2; m/z: 252; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO008947
RECORD_TITLE: 2'-Deoxyadenosine; LC-ESI-IT; MS2; m/z: 252; [M+H]+
DATE: 2011.05.10 (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 D069

CH$NAME: 2'-Deoxyadenosine CH$NAME: Deoxyadenosine CH$COMPOUND_CLASS: Natural Product CH$FORMULA: C10H13N5O3 CH$EXACT_MASS: 251.10184 CH$SMILES: OC[C@@H](O1)[C@@H](O)C[C@@H]1n(c3)c(n2)c(n3)c(N)nc2 CH$IUPAC: InChI=1S/C10H13N5O3/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(17)6(2-16)18-7/h3-7,16-17H,1-2H2,(H2,11,12,13)/t5-,6+,7+/m0/s1 CH$LINK: CAS 958-09-8 CH$LINK: CHEBI 17256 CH$LINK: KEGG C00559 CH$LINK: PUBCHEM 3839 CH$LINK: INCHIKEY OLXZPDWKRNYJJZ-RRKCRQDMSA-N
AC$INSTRUMENT: LC/MSD Trap XCT, Agilent Technologies AC$INSTRUMENT_TYPE: LC-ESI-IT AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 0.65
MS$FOCUSED_ION: PRECURSOR_M/Z 252 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+ MS$DATA_PROCESSING: WHOLE LC/MSD Trap Control and Data Analysis
PK$SPLASH: splash10-000i-0900000000-31d03c242f14d91a718c PK$ANNOTATION: m/z struct. num formula mass 136.1 1 1 C5H6N5 136.06232 PK$NUM_PEAK: 31 PK$PEAK: m/z int. rel.int. 71.1 264.26 1 73.2 192.80 1 81.1 51.43 1 89.2 630.08 1 94.1 417.14 1 99.1 1129.53 1 101.0 152.12 1 109.0 141.19 1 117.1 4776.66 4 119.1 1656.62 1 128.9 677.95 1 130.0 303.60 1 133.3 146.09 1 136.1 1322601.74 999 136.9 1543.18 1 137.8 175.24 1 149.3 394.92 1 156.5 84.23 1 165.1 40.31 1 187.1 249.58 1 195.1 875.75 1 213.8 49.28 1 215.1 150.69 1 216.1 179.66 1 217.1 173.33 1 223.9 144.34 1 234.1 1071.30 1 251.0 160.35 1 252.1 2379.57 2 253.0 138.09 1 270.9 72.96 1 //