ACCESSION: MSBNK-Waters-WA000731
RECORD_TITLE: Opipramol; LC-ESI-Q; MS; POS; 90 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC

CH$NAME: Opipramol
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₃H₂₉N₃O
CH$EXACT_MASS: 363.23106
CH$SMILES: OCCN(C4)CCN(C4)CCCN(c21)c(c3)c(ccc3)C=Cc(cccc2)1
CH$IUPAC: InChI=1S/C23H29N3O/c27-19-18-25-16-14-24(15-17-25)12-5-13-26-22-8-3-1-6-20(22)10-11-21-7-2-4-9-23(21)26/h1-4,6-11,27H,5,12-19H2
CH$LINK: CAS 315-72-0
CH$LINK: INCHIKEY YNZFUWZUGRBMHL-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID3023394

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 3.800 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 90 V

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

PK$SPLASH: splash10-0zi0-0930000000-752a76192a2d4acf01e1
PK$NUM_PEAK: 42
PK$PEAK: m/z int. rel.int.
  100 999 999
  101 47 47
  102 8 8
  103 8 8
  111 35 35
  112 86 86
  113 67 67
  125 8 8
  126 16 16
  128 168 168
  129 16 16
  141 24 24
  143 431 431
  144 27 27
  146 20 20
  152 8 8
  165 24 24
  166 8 8
  167 16 16
  169 8 8
  171 78 78
  172 8 8
  178 294 294
  179 262 262
  180 51 51
  189 8 8
  190 8 8
  191 59 59
  192 35 35
  193 118 118
  194 24 24
  204 212 212
  205 137 137
  206 729 729
  207 90 90
  208 8 8
  217 8 8
  218 27 27
  219 8 8
  232 8 8
  234 16 16
  364 16 16
//