MassBank Record: KO002743



 5'-Deoxyadenosine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO002743
RECORD_TITLE: 5'-Deoxyadenosine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+
DATE: 2016.01.19 (2007.07.07, 2011.05.10)
AUTHORS: Kakazu YInstitute for Advanced Biosciences, Keio Univ., Horai HInstitute for Advanced Biosciences, Keio Univ., 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$LINK: PUBCHEM SID:7603 CH$LINK: INCHIKEY XGYIMTFOTBMPFP-KQYNXXCUSA-N
AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V
MS$FOCUSED_ION: PRECURSOR_M/Z 252 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-000i-1900000000-aa5e98075bbd2c17e6e9 PK$NUM_PEAK: 58 PK$PEAK: m/z int. rel.int. 36.100 69307.0 2 43.300 79208.0 2 45.000 29703.0 1 55.100 24752.5 1 57.200 1400991.5 42 59.200 74257.5 2 64.500 14851.5 1 69.000 118812.0 4 69.400 19802.0 1 71.200 1816833.5 54 71.800 910892.0 27 72.900 702971.0 21 77.000 34653.5 1 78.900 2792082.0 83 81.000 74257.5 2 83.300 143564.5 4 87.000 64356.5 2 88.000 39604.0 1 88.700 19802.0 1 89.200 59406.0 2 91.500 198020.0 6 93.800 34653.5 1 95.000 74257.5 2 99.300 59406.0 2 100.000 301980.5 9 100.800 589109.5 17 105.200 777228.5 23 106.000 29703.0 1 107.000 49505.0 1 108.800 69307.0 2 111.300 148515.0 4 114.400 2569309.5 76 115.000 54455.5 2 116.300 24752.5 1 117.300 202970.5 6 118.900 143564.5 4 119.500 14851.5 1 120.800 39604.0 1 122.400 44554.5 1 123.100 4371291.5 130 129.300 24752.5 1 131.100 594060.0 18 133.400 59406.0 2 136.200 33633697.0 999 139.000 39604.0 1 143.300 29703.0 1 143.900 24752.5 1 147.200 34653.5 1 148.800 39604.0 1 159.300 19802.0 1 160.800 59406.0 2 162.800 14851.5 1 165.000 14851.5 1 167.300 34653.5 1 174.900 39604.0 1 179.200 193069.5 6 217.300 39604.0 1 235.400 376238.0 11 //