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MassBank Record: WA000732

Opipramol; LC-ESI-Q; MS; POS; 75 V

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: WA000732
RECORD_TITLE: Opipramol; 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$NAME: Opipramol
CH$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 75 V

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

PK$SPLASH: splash10-0k96-0920000000-9656e12a7bf8cce3091a
PK$NUM_PEAK: 30
PK$PEAK: m/z int. rel.int.
  100 607 607
  101 31 31
  102 8 8
  112 31 31
  113 94 94
  114 8 8
  125 8 8
  126 20 20
  128 106 106
  129 8 8
  141 24 24
  143 999 999
  144 55 55
  171 443 443
  172 39 39
  178 31 31
  179 55 55
  180 20 20
  191 8 8
  192 8 8
  193 55 55
  194 12 12
  204 20 20
  205 16 16
  206 505 505
  207 63 63
  208 8 8
  218 8 8
  234 27 27
  364 8 8
//

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