ACCESSION: MSBNK-Waters-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: CC BY-NC

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$LINK: CAS 1977-10-2
CH$LINK: INCHIKEY XJGVXQDUIWGIRW-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID7023229

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 14.200 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 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
//