MassBank Record: KO002742



 5'-Deoxyadenosine; 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: KO002742
RECORD_TITLE: 5'-Deoxyadenosine; 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 D082

CH$NAME: 5'-Deoxyadenosine CH$COMPOUND_CLASS: N/A CH$FORMULA: C10H13N5O3 CH$EXACT_MASS: 251.10184 CH$SMILES: C[C@@H](O1)[C@@H](O)[C@@H](O)[C@@H]1n(c3)c(n2)c(n3)c(N)nc2 CH$IUPAC: InChI=1S/C10H13N5O3/c1-4-6(16)7(17)10(18-4)15-3-14-5-8(11)12-2-13-9(5)15/h2-4,6-7,10,16-17H,1H3,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1 CH$LINK: CAS 4754-39-6 CH$LINK: CHEBI 17319 CH$LINK: KEGG C05198 CH$LINK: NIKKAJI J103.510J CH$LINK: PUBCHEM SID:7603
AC$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$FOCUSED_ION: PRECURSOR_M/Z 252 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-000i-0900000000-bc60a46e6751486debe1 PK$NUM_PEAK: 56 PK$PEAK: m/z int. rel.int. 12.900 19802.0 1 54.400 247525.0 6 57.200 1099011.0 26 71.000 2811884.0 66 72.100 212871.5 5 73.300 173267.5 4 78.000 49505.0 1 79.200 306931.0 7 80.700 59406.0 1 82.900 34653.5 1 84.900 24752.5 1 87.300 59406.0 1 90.800 118812.0 3 95.300 34653.5 1 99.100 39604.0 1 100.200 356436.0 8 101.100 1366338.0 32 104.900 445545.0 10 106.800 64356.5 1 109.500 64356.5 1 110.400 49505.0 1 111.200 232673.5 5 113.400 366337.0 9 114.200 1415843.0 33 117.100 227723.0 5 117.500 29703.0 1 119.700 14851.5 1 122.200 262376.5 6 123.200 10792090.0 251 124.800 19802.0 1 129.100 108911.0 3 131.000 3371290.5 79 131.900 59406.0 1 134.900 118812.0 3 136.100 42871330.0 999 140.900 39604.0 1 144.200 39604.0 1 145.400 14851.5 1 147.900 29703.0 1 149.400 24752.5 1 163.600 19802.0 1 170.900 29703.0 1 173.800 24752.5 1 175.100 113861.5 3 177.300 34653.5 1 178.500 24752.5 1 184.200 44554.5 1 189.200 49505.0 1 192.100 331683.5 8 199.400 143564.5 3 203.100 44554.5 1 217.600 386139.0 9 220.400 84158.5 2 234.500 29703.0 1 235.400 1425744.0 33 252.300 1856437.5 43 //