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MassBank Record: WA000733

Opipramol; LC-ESI-Q; MS; POS; 60 V

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

ACCESSION: WA000733
RECORD_TITLE: Opipramol; 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$NAME: Opipramol
CH$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 60 V

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

PK$SPLASH: splash10-00dl-0900000000-2d27c8e862bf5c15382b
PK$NUM_PEAK: 15
PK$PEAK: m/z int. rel.int.
  100 125 125
  101 8 8
  113 31 31
  126 12 12
  128 27 27
  141 12 12
  143 678 678
  144 39 39
  171 999 999
  172 82 82
  193 16 16
  206 145 145
  207 20 20
  234 35 35
  364 24 24
//

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