ACCESSION: MSBNK-Waters-WA002094
RECORD_TITLE: Loxapine; 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$NAME: Loxapine
CH$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 60 V

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

PK$SPLASH: splash10-00di-0090000000-61ea25460950afd1fbf2
PK$NUM_PEAK: 12
PK$PEAK: m/z int. rel.int.
  228 20 20
  230 16 16
  271 999 999
  272 121 121
  273 357 357
  274 43 43
  297 118 118
  298 16 16
  299 39 39
  328 74 74
  329 12 12
  330 27 27
//