ACCESSION: MSBNK-Waters-WA002089
RECORD_TITLE: Loxapine-7-methoxy; 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$NAME: Loxapine-7-methoxy
CH$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 60 V

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

PK$SPLASH: splash10-0udi-0009000000-956d6e73bd43964674f5
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
  149 12 12
  223 12 12
  258 35 35
  260 20 20
  269 12 12
  286 24 24
  301 999 999
  302 145 145
  303 349 349
  304 51 51
  327 114 114
  328 16 16
  329 39 39
  358 165 165
  359 27 27
  360 59 59
  361 12 12
//