MassBank Record: PB002102



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

ACCESSION: PB002102
RECORD_TITLE: Oxycodone; LC-ESI-QQ; MS2; CE:30 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 30 eV AC$MASS_SPECTROMETRY: IONIZATION ESI
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-0002-0190000000-6d398e73211fa44ec844 PK$NUM_PEAK: 121 PK$PEAK: m/z int. rel.int. 32.000 13.464 0 42.000 15.041 0 43.000 10.964 0 44.000 46.640 3 45.000 36.498 2 55.000 14.212 0 58.000 174.855 16 59.000 69.613 5 70.000 842.757 83 71.000 86.481 7 82.000 12.022 0 84.000 13.363 0 91.000 40.899 3 92.000 11.524 0 94.000 69.573 5 95.000 35.069 2 108.000 121.759 11 109.000 10.108 0 110.000 35.528 2 122.000 19.651 0 131.000 38.088 2 133.000 22.387 1 137.000 26.504 1 141.000 19.860 0 143.000 10.189 0 145.000 10.722 0 151.000 29.496 1 153.000 18.101 0 154.000 19.833 0 157.000 50.010 4 159.000 36.067 2 160.000 51.883 4 161.000 113.079 10 162.000 11.530 0 164.000 14.799 0 165.000 23.000 1 166.000 11.490 0 167.000 10.728 0 169.000 10.681 0 170.000 14.448 0 174.000 31.707 2 175.000 271.976 26 176.000 54.154 4 177.000 13.282 0 181.000 249.839 23 182.000 41.229 3 185.000 33.519 2 186.000 20.075 1 187.000 1121.095 111 188.000 173.689 16 189.000 78.239 6 190.000 22.474 1 193.000 35.022 2 195.000 58.319 4 196.000 97.923 8 197.000 137.461 12 198.000 60.745 5 199.000 207.087 19 200.000 11.220 0 201.000 75.591 6 202.000 86.535 7 203.000 74.317 6 205.000 18.741 0 207.000 31.922 2 208.000 18.438 0 209.000 66.446 5 210.000 50.360 4 211.000 27.690 1 212.000 67.699 5 213.000 410.003 40 214.000 142.576 13 215.000 59.282 4 216.000 34.524 2 217.000 38.432 2 219.000 11.247 0 221.000 69.829 5 223.000 49.080 3 224.000 362.474 35 225.000 363.579 35 226.000 64.829 5 227.000 183.319 17 228.000 169.760 15 229.000 182.430 17 230.000 10.668 0 234.000 12.164 0 235.000 24.974 1 237.000 30.810 2 238.000 22.629 1 239.000 112.345 10 240.000 122.965 11 241.000 3182.904 317 242.000 192.248 18 243.000 35.204 2 248.000 24.894 1 249.000 68.946 5 250.000 17.481 0 252.000 163.641 15 253.000 11.753 0 254.000 58.487 4 255.000 147.623 13 256.000 2939.508 292 257.000 254.327 24 258.000 12.400 0 265.000 67.632 5 266.000 131.584 12 267.000 66.668 5 268.000 82.821 7 269.000 82.997 7 270.000 354.158 34 273.000 13.033 0 280.000 141.228 13 281.000 31.316 2 282.000 68.400 5 283.000 145.035 13 284.000 28.809 1 297.000 20.338 1 298.000 10000.000 999 299.000 422.598 41 301.000 10.971 0 316.000 1542.683 153 317.000 191.911 18 //