ACCESSION: MSBNK-IPB_Halle-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
//