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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)

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
//

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