MassBank Record: KO002745



 5'-Deoxyadenosine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO002745
RECORD_TITLE: 5'-Deoxyadenosine; LC-ESI-QQ; MS2; CE:50 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 50 V
MS$FOCUSED_ION: PRECURSOR_M/Z 252 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-000i-5900000000-fc447cfd2476fd6fc248 PK$NUM_PEAK: 27 PK$PEAK: m/z int. rel.int. 41.300 44554.5 8 43.000 207921.0 39 44.900 99010.0 19 55.300 123762.5 23 57.200 351485.5 66 66.800 39604.0 7 68.700 29703.0 6 70.900 89109.0 17 72.100 688119.5 129 73.100 331683.5 62 77.000 500000.5 93 79.200 1534655.0 287 81.300 54455.5 10 82.500 29703.0 6 87.300 19802.0 4 91.000 89109.0 17 91.900 69307.0 13 94.200 450495.5 84 95.500 44554.5 8 105.000 341584.5 64 108.800 118812.0 22 114.500 9901.0 2 119.300 1668318.5 312 123.300 94059.5 18 131.300 14851.5 3 136.200 5346540.0 999 137.100 69307.0 13 //