ACCESSION: MSBNK-Waters-WA002087
RECORD_TITLE: Loxapine-7-methoxy; 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$NAME: Loxapine-7-methoxy
CH$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 90 V

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

PK$SPLASH: splash10-0ab9-0091000000-edf986258a54722b98e8
PK$NUM_PEAK: 90
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//