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MassBank Record: WA002103

Levomepromazine (oxide); LC-ESI-Q; MS; POS; 15 V

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

ACCESSION: WA002103
RECORD_TITLE: Levomepromazine (oxide); LC-ESI-Q; MS; POS; 15 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC

CH$NAME: Levomepromazine (oxide)
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C19H24N2O2S
CH$EXACT_MASS: 344.15585
CH$SMILES: CN(C)CC(C)CN(c21)c(c3)c(ccc(OC)3)S(=O)c(cccc2)1
CH$IUPAC: InChI=1S/C19H24N2O2S/c1-14(12-20(2)3)13-21-16-7-5-6-8-18(16)24(22)19-10-9-15(23-4)11-17(19)21/h5-11,14H,12-13H2,1-4H3/t14-,24?/m0/s1
CH$LINK: CAS 21030-68-2
CH$LINK: INCHIKEY CUJAZGOWDHBZEI-LNYMIDHXSA-N

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 14.800 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 15 V

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

PK$SPLASH: splash10-004i-0009000000-a52d608179c637e64058
PK$NUM_PEAK: 8
PK$PEAK: m/z int. rel.int.
  329 999 999
  330 192 192
  331 63 63
  345 125 125
  346 27 27
  361 368 368
  362 63 63
  363 27 27
//

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