ACCESSION: MSBNK-JEOL_Ltd-JEL00043
RECORD_TITLE: Morphine; MALDI-TOFTOF; MS2; CE: 20keV; [M+H]+
DATE: 2016.01.19 (Created 2012.06.18)
AUTHORS: JEOL Ltd.
LICENSE: CC BY-NC-SA
COPYRIGHT: Copyright (c) 2012 JEOL Ltd.

CH$NAME: Morphine
CH$NAME: (4R,4aR,7S,7aR,12bS)-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7,9-diol
CH$COMPOUND_CLASS: Natural Product
CH$FORMULA: C₁₇H₁₉NO₃
CH$EXACT_MASS: 285.1364935
CH$SMILES: CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)O)O[C@H]3[C@H](C=C4)O
CH$IUPAC: InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1
CH$LINK: CAS 57-27-2
CH$LINK: CHEBI 17303
CH$LINK: CHEMSPIDER 4450907
CH$LINK: COMPTOX DTXSID9023336
CH$LINK: INCHIKEY BQJCRHHNABKAKU-KBQPJGBKSA-N
CH$LINK: KEGG C01516
CH$LINK: PUBCHEM CID:5288826

AC$INSTRUMENT: JMS-S3000
AC$INSTRUMENT_TYPE: MALDI-TOFTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE

MS$FOCUSED_ION: PRECURSOR_M/Z 286.14377

PK$SPLASH: splash10-002f-9200000000-77d1b224936bb66ff63e
PK$NUM_PEAK: 213
PK$PEAK: m/z int. rel.int.
  12.06797 1219464 20
  13.07022 1811574 30
  14.07313 3884646 64
  15.0776 12434362 206
  16.07331 151805 3
  17.06951 272653 5
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  24.0753 593058 10
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  26.08514 9916357 165
  27.08953 18247123 303
  28.0905 21451963 356
  29.08076 17635377 293
  30.10013 8314186 138
  31.10703 7657223 127
  32.1146 750195 12
  36.10252 1031782 17
  37.10218 7191177 119
  38.10212 10158242 169
  39.10688 21690607 360
  40.11384 3006385 50
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  42.1189 24204511 402
  43.12012 4760979 79
  44.13335 60196392 999
  45.09147 419113 7
  48.10569 417497 7
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  50.10728 14887238 247
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//