MassBank Record: WA002096



 Loxapine; LC-ESI-Q; MS; POS; 30 V 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: WA002096
RECORD_TITLE: Loxapine; LC-ESI-Q; MS; POS; 30 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$NAME: Loxapine CH$COMPOUND_CLASS: N/A CH$FORMULA: C18H18ClN3O CH$EXACT_MASS: 327.11384 CH$SMILES: CN(C4)CCN(C4)C(=N1)c(c3)c(ccc(Cl)3)Oc(c2)c(ccc2)1 CH$IUPAC: InChI=1S/C18H18ClN3O/c1-21-8-10-22(11-9-21)18-14-12-13(19)6-7-16(14)23-17-5-3-2-4-15(17)20-18/h2-7,12H,8-11H2,1H3 CH$LINK: CAS 1977-10-2
AC$INSTRUMENT: ZQ, Waters AC$INSTRUMENT_TYPE: LC-ESI-Q AC$CHROMATOGRAPHY: RETENTION_TIME 14.200 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 30 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-004i-0009000000-16bfe7acf8e6ef050421 PK$NUM_PEAK: 6 PK$PEAK: m/z int. rel.int. 271 55 55 273 20 20 328 999 999 329 161 161 330 360 360 331 55 55 //