ACCESSION: MSBNK-Waters-WA002092
RECORD_TITLE: Loxapine; LC-ESI-Q; MS; POS; 90 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 90 V

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

PK$SPLASH: splash10-006x-0690000000-96c423835cde4f1051dc
PK$NUM_PEAK: 62
PK$PEAK: m/z int. rel.int.
  104 43 43
  106 16 16
  118 63 63
  119 59 59
  164 110 110
  165 27 27
  166 12 12
  167 27 27
  173 12 12
  179 12 12
  180 24 24
  181 16 16
  192 20 20
  193 999 999
  194 125 125
  195 16 16
  200 82 82
  201 16 16
  202 31 31
  205 12 12
  206 31 31
  207 43 43
  208 47 47
  209 24 24
  210 20 20
  214 12 12
  215 12 12
  216 12 12
  218 12 12
  219 20 20
  220 39 39
  221 16 16
  228 215 215
  229 24 24
  230 114 114
  231 16 16
  232 12 12
  233 27 27
  234 12 12
  235 71 71
  236 20 20
  241 20 20
  242 20 20
  243 20 20
  244 31 31
  245 12 12
  246 16 16
  254 59 59
  255 20 20
  256 31 31
  257 12 12
  261 20 20
  269 78 78
  271 533 533
  272 71 71
  273 180 180
  274 16 16
  282 20 20
  297 129 129
  298 20 20
  299 43 43
  328 16 16
//