MassBank Record: KO002726



 2'-Deoxyadenosine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO002726
RECORD_TITLE: 2'-Deoxyadenosine; LC-ESI-QQ; MS2; CE:10 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 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$LINK: NIKKAJI J80.042B CH$LINK: PUBCHEM SID:3839
AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V
MS$FOCUSED_ION: PRECURSOR_M/Z 252 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-0udr-1790000000-cfbdf2e3950e7987b94b PK$NUM_PEAK: 65 PK$PEAK: m/z int. rel.int. 54.000 707921.5 25 57.200 94059.5 3 71.100 955446.5 34 72.200 3103963.5 110 73.500 14851.5 1 77.700 94059.5 3 80.200 54455.5 2 82.400 24752.5 1 87.000 19802.0 1 90.300 589109.5 21 100.000 1975249.5 70 101.200 425743.0 15 104.600 29703.0 1 106.000 14851.5 1 108.300 153465.5 5 109.400 39604.0 1 111.100 39604.0 1 112.300 29703.0 1 113.300 6816838.5 242 116.400 39604.0 1 117.300 99010.0 4 118.200 59406.0 2 121.300 94059.5 3 122.300 1178219.0 42 123.200 10792090.0 384 125.900 49505.0 2 129.000 34653.5 1 129.900 14851.5 1 131.200 39604.0 1 135.100 34653.5 1 136.200 10628723.5 378 137.400 19802.0 1 139.400 14851.5 1 140.900 34653.5 1 143.800 64356.5 2 146.300 19802.0 1 148.200 29703.0 1 152.500 188119.0 7 153.100 460396.5 16 159.700 19802.0 1 162.100 34653.5 1 166.300 306931.0 11 171.100 94059.5 3 175.200 3089112.0 110 177.100 29703.0 1 178.000 19802.0 1 179.000 19802.0 1 180.100 59406.0 2 184.100 668317.5 24 185.500 14851.5 1 188.000 34653.5 1 192.200 1490100.5 53 198.200 69307.0 2 199.200 108911.0 4 202.600 59406.0 2 203.100 178218.0 6 206.900 34653.5 1 207.400 34653.5 1 216.300 19802.0 1 217.600 2133665.5 76 220.200 410891.5 15 224.200 24752.5 1 234.300 485149.0 17 235.200 16608927.5 590 252.300 28103988.5 999 //