MassBank Record: PB002101



 Oxycodone; LC-ESI-QQ; MS2; CE:20 eV; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: PB002101
RECORD_TITLE: Oxycodone; LC-ESI-QQ; MS2; CE:20 eV; [M+H]+
DATE: 2016.01.19 (Created 2008.06.06, modified 2013.06.04)
AUTHORS: Schmidt J, Institute of Plant Biochemistry, Halle, Germany
LICENSE: CC BY-SA
COMMENT: IPB_RECORD: 1423
COMMENT: CONFIDENCE: confident structure

CH$NAME: Oxycodone CH$NAME: Morphinan-6-one, 4,5alpha-epoxy-14-hydroxy-3-methoxy-17-methyl- CH$COMPOUND_CLASS: Natural Product; Morphinan Alkaloids CH$FORMULA: C18H21NO4 CH$EXACT_MASS: 315.14706 CH$SMILES: CN1CCC23C4C(=O)CCC2(C1CC5=C3C(=C(C=C5)OC)O4)O CH$IUPAC: InChI=1S/C18H21NO4/c1-19-8-7-17-14-10-3-4-12(22-2)15(14)23-16(17)11(20)5-6-18(17,21)13(19)9-10/h3-4,13,16,21H,5-9H2,1-2H3 CH$LINK: INCHIKEY BRUQQQPBMZOVGD-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:4635
AC$INSTRUMENT: TSQ 7000 AC$INSTRUMENT_TYPE: LC-ESI-QQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 eV AC$MASS_SPECTROMETRY: IONIZATION ESI
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-014i-0049000000-952a2d018b7dd5e3eb70 PK$NUM_PEAK: 17 PK$PEAK: m/z int. rel.int. 70.000 32.603 2 175.000 16.675 0 187.000 44.146 3 197.000 20.056 1 202.000 14.568 0 224.000 28.714 1 229.000 17.038 0 241.000 151.850 14 242.000 20.644 1 252.000 16.615 0 256.000 143.132 13 257.000 29.563 1 280.000 23.171 1 298.000 4825.797 481 299.000 128.619 11 316.000 10000.000 999 317.000 88.340 7 //