ACCESSION: MSBNK-Waters-WA002088
RECORD_TITLE: Loxapine-7-methoxy; LC-ESI-Q; MS; POS; 75 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC

CH$NAME: Loxapine-7-methoxy
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₉H₂₀ClN₃O₂
CH$EXACT_MASS: 357.12440
CH$SMILES: COc(c4)cc(O1)c(c4)N=C(N(C3)CCN(C)C3)c(c2)c(ccc(Cl)2)1
CH$IUPAC: InChI=1S/C19H20ClN3O2/c1-22-7-9-23(10-8-22)19-15-11-13(20)3-6-17(15)25-18-12-14(24-2)4-5-16(18)21-19/h3-6,11-12H,7-10H2,1-2H3
CH$LINK: INCHIKEY RQVJIDOFDAAWDW-UHFFFAOYSA-N

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 13.770 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 75 V

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

PK$SPLASH: splash10-0udi-0069000000-121f415992b59e455287
PK$NUM_PEAK: 39
PK$PEAK: m/z int. rel.int.
  134 12 12
  149 86 86
  208 27 27
  223 215 215
  224 27 27
  229 106 106
  230 51 51
  231 39 39
  232 20 20
  242 12 12
  243 27 27
  255 39 39
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  257 39 39
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  270 12 12
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  360 16 16
//