ACCESSION: MSBNK-Waters-WA002940
RECORD_TITLE: Ethylmorphine; LC-ESI-Q; MS; POS; 60 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC

CH$NAME: Ethylmorphine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₉H₂₃NO₃
CH$EXACT_MASS: 313.16779
CH$SMILES: CCOc(c5)c(O4)c(c(c5)1)C(C2)(C34)C([H])(C=CC(O)3)C(N(C)C2)C1
CH$IUPAC: InChI=1S/C19H23NO3/c1-3-22-15-7-4-11-10-13-12-5-6-14(21)18-19(12,8-9-20(13)2)16(11)17(15)23-18/h4-7,12-14,18,21H,3,8-10H2,1-2H3/t12-,13+,14-,18-,19-/m0/s1
CH$LINK: CAS 76-58-4
CH$LINK: INCHIKEY OGDVEMNWJVYAJL-LEPYJNQMSA-N
CH$LINK: COMPTOX DTXSID1046760

AC$INSTRUMENT: ZQ, Waters
AC$INSTRUMENT_TYPE: LC-ESI-Q
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$CHROMATOGRAPHY: RETENTION_TIME 10.940 min
AC$CHROMATOGRAPHY: COLUMN_NAME 2.1 mm id - 3. 5{mu}m XTerra C18MS
AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE 35 C
AC$CHROMATOGRAPHY: SAMPLING_CONE 60 V

MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5

PK$SPLASH: splash10-03di-0259000000-df3f8eee8d545a916d61
PK$NUM_PEAK: 56
PK$PEAK: m/z int. rel.int.
  108 8 8
  123 8 8
  133 8 8
  145 12 12
  146 8 8
  151 8 8
  155 8 8
  165 12 12
  173 20 20
  175 24 24
  181 20 20
  183 67 67
  185 20 20
  189 16 16
  191 12 12
  193 31 31
  194 12 12
  199 12 12
  200 8 8
  201 74 74
  202 8 8
  206 8 8
  207 8 8
  209 31 31
  210 8 8
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  213 47 47
  214 8 8
  215 8 8
  219 12 12
  221 16 16
  226 8 8
  227 27 27
  229 149 149
  230 20 20
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  257 102 102
  258 12 12
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  267 24 24
  268 8 8
  296 47 47
  297 8 8
  312 12 12
  314 999 999
  315 172 172
  316 16 16
  332 35 35
  336 12 12
  352 20 20
  355 8 8
//