MassBank Record: KO008949

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5'-Deoxyadenosine; LC-ESI-IT; MS3; m/z: 252/136; [M+H]+
Mass Spectrum
Chemical Structure
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metabolomics-usi visualisation

ACCESSION: KO008949
RECORD_TITLE: 5'-Deoxyadenosine; LC-ESI-IT; MS3; m/z: 252/136; [M+H]+
DATE: 2011.12.05 (2008.05.12)
AUTHORS: Ojima Y, Kakazu Y, Horai H, Soga T, Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID D082
COMMENT: [MS2] KO008948

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: PUBCHEM 7603 CH$LINK: INCHIKEY XGYIMTFOTBMPFP-KQYNXXCUSA-N
AC$INSTRUMENT: LC/MSD Trap XCT, Agilent Technologies AC$INSTRUMENT_TYPE: LC-ESI-IT AC$MASS_SPECTROMETRY: MS_TYPE MS3 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 0.65/0.70
MS$FOCUSED_ION: PRECURSOR_M/Z 252/136 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+ MS$DATA_PROCESSING: WHOLE LC/MSD Trap Control and Data Analysis
PK$SPLASH: splash10-00n0-1900000000-685dbade42a0badfa410 PK$NUM_PEAK: 12 PK$PEAK: m/z int. rel.int. 94.0 15.22 692 117.9 2.31 105 119.1 18.08 822 136.2 7.19 327 137.1 2.69 122 171.1 4.06 185 175.1 16.60 755 187.1 21.97 999 188.1 0.85 39 189.1 2.00 91 229.2 4.58 208 249.1 1.08 49 //