ACCESSION: MSBNK-Waters-WA000710
RECORD_TITLE: Pethidine; LC-ESI-Q; MS; POS; 75 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC

CH$NAME: Pethidine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₅H₂₁NO₂
CH$EXACT_MASS: 247.15723
CH$SMILES: CCOC(=O)C(C2)(CCN(C)C2)c(c1)cccc1
CH$IUPAC: InChI=1S/C15H21NO2/c1-3-18-14(17)15(9-11-16(2)12-10-15)13-7-5-4-6-8-13/h4-8H,3,9-12H2,1-2H3
CH$LINK: CAS 57-42-1
CH$LINK: INCHIKEY XADCESSVHJOZHK-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID9023253

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 12.500 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 75 V

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

PK$SPLASH: splash10-00di-0930000000-6afb46f9e8a8b1b4a74e
PK$NUM_PEAK: 43
PK$PEAK: m/z int. rel.int.
  103 642 642
  104 27 27
  105 223 223
  106 12 12
  107 12 12
  108 12 12
  115 133 133
  116 102 102
  117 313 313
  118 31 31
  126 8 8
  128 63 63
  129 161 161
  130 39 39
  131 642 642
  132 67 67
  133 20 20
  140 20 20
  141 8 8
  143 47 47
  144 90 90
  145 71 71
  146 16 16
  158 24 24
  159 39 39
  160 12 12
  169 8 8
  172 55 55
  174 999 999
  175 106 106
  176 165 165
  177 12 12
  184 55 55
  185 8 8
  202 39 39
  218 8 8
  220 897 897
  221 86 86
  248 658 658
  249 67 67
  250 8 8
  261 8 8
  289 16 16
//