MassBank Record: WA002121



 Demexiptiline; LC-ESI-Q; MS; POS; 45 V 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: WA002121
RECORD_TITLE: Demexiptiline; LC-ESI-Q; MS; POS; 45 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: Copyright 2007-2011 Nihon Waters K.K.

CH$NAME: Demexiptiline CH$COMPOUND_CLASS: N/A CH$FORMULA: C18H18N2O CH$EXACT_MASS: 278.14191 CH$SMILES: CNCCON=C(c21)c(c3)c(ccc3)C=Cc(cccc2)1 CH$IUPAC: InChI=1S/C18H18N2O/c1-19-12-13-21-20-18-16-8-4-2-6-14(16)10-11-15-7-3-5-9-17(15)18/h2-11,19H,12-13H2,1H3 CH$LINK: CAS 24701-51-7
AC$INSTRUMENT: ZQ, Waters AC$INSTRUMENT_TYPE: LC-ESI-Q AC$CHROMATOGRAPHY: RETENTION_TIME 13.960 min AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: COLUMN_NAME 2.1 mm id - 3. 5{mu}m XTerra C18MS AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE 35 C AC$MASS_SPECTROMETRY: IONIZATION ESI AC$CHROMATOGRAPHY: SAMPLING_CONE 45 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-0udi-0090000000-c7b2fcec97dc8dd9bd5f PK$NUM_PEAK: 6 PK$PEAK: m/z int. rel.int. 204 999 999 205 235 235 206 24 24 222 27 27 279 86 86 280 12 12 //