MassBank Record: KO002727



 2'-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: KO002727
RECORD_TITLE: 2'-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 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$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V
MS$FOCUSED_ION: PRECURSOR_M/Z 252 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-000i-1900000000-a3c367588a28d36cf5f0 PK$NUM_PEAK: 63 PK$PEAK: m/z int. rel.int. 54.200 787129.5 26 57.300 1084159.5 36 59.100 29703.0 1 69.200 54455.5 2 71.100 2747527.5 91 72.200 89109.0 3 72.800 153465.5 5 74.900 24752.5 1 78.900 306931.0 10 80.100 39604.0 1 80.800 34653.5 1 83.100 39604.0 1 85.400 29703.0 1 87.000 64356.5 2 88.900 69307.0 2 91.100 148515.0 5 93.800 19802.0 1 95.200 59406.0 2 99.000 301980.5 10 100.000 1524754.0 50 101.000 1435645.0 47 105.000 366337.0 12 107.000 44554.5 1 109.000 113861.5 4 111.500 594060.0 20 113.000 381188.5 13 115.200 24752.5 1 116.300 19802.0 1 117.200 1698021.5 56 119.100 34653.5 1 121.300 168317.0 6 122.200 361386.5 12 123.200 10599020.5 350 124.400 14851.5 1 129.100 277228.0 9 130.000 603961.0 20 133.000 34653.5 1 135.100 168317.0 6 136.100 30257456.0 999 139.400 34653.5 1 145.700 24752.5 1 149.400 44554.5 1 153.000 29703.0 1 157.400 24752.5 1 158.400 54455.5 2 163.000 34653.5 1 165.300 44554.5 1 166.400 232673.5 8 175.100 1891091.0 62 176.400 34653.5 1 179.300 103960.5 3 181.100 9901.0 1 184.000 94059.5 3 184.700 49505.0 2 189.200 94059.5 3 191.500 84158.5 3 199.300 198020.0 7 203.500 118812.0 4 207.200 64356.5 2 217.300 574258.0 19 220.100 89109.0 3 235.300 2272279.5 75 252.200 920793.0 30 //