MassBank Record: KO002741



 5'-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: KO002741
RECORD_TITLE: 5'-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 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 10 V
MS$FOCUSED_ION: PRECURSOR_M/Z 252 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-0udi-0490000000-2d56a55a6dcc84b79cbb PK$NUM_PEAK: 50 PK$PEAK: m/z int. rel.int. 53.900 217822.0 4 57.000 103960.5 2 71.200 866337.5 16 71.800 935644.5 17 77.800 54455.5 1 79.900 19802.0 1 90.000 183168.5 3 90.900 49505.0 1 93.700 49505.0 1 100.000 633664.0 12 101.000 381188.5 7 104.900 64356.5 1 105.400 24752.5 1 108.400 123762.5 2 110.800 19802.0 1 113.100 5782184.0 108 113.800 331683.5 6 116.100 34653.5 1 118.100 198020.0 4 121.000 54455.5 1 122.400 663367.0 12 123.200 10663377.0 199 131.000 7455453.0 139 134.900 19802.0 1 136.200 9430702.5 176 141.200 44554.5 1 143.800 44554.5 1 144.400 49505.0 1 152.300 123762.5 2 152.700 19802.0 1 156.900 29703.0 1 161.400 64356.5 1 166.000 49505.0 1 175.100 94059.5 2 176.600 19802.0 1 180.500 29703.0 1 184.400 24752.5 1 185.500 69307.0 1 189.400 59406.0 1 192.200 257426.0 5 199.000 59406.0 1 202.400 108911.0 2 203.200 212871.5 4 207.500 64356.5 1 215.900 24752.5 1 217.500 990100.0 18 220.400 569307.5 11 234.200 202970.5 4 235.200 12801993.0 238 252.300 53658469.5 999 //