ACCESSION: MSBNK-Waters-WA002141
RECORD_TITLE: 8-Hydroxyloxapine; 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$NAME: 8-Hydroxyloxapine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₈H₁₈ClN₃O₂
CH$EXACT_MASS: 343.10875
CH$SMILES: CN(C4)CCN(C4)C(=N1)c(c3)c(ccc(Cl)3)Oc(c2)c(cc(O)c2)1
CH$IUPAC: InChI=1S/C18H18ClN3O2/c1-21-6-8-22(9-7-21)18-14-10-12(19)2-4-16(14)24-17-5-3-13(23)11-15(17)20-18/h2-5,10-11,23H,6-9H2,1H3
CH$LINK: CAS 61443-77-4
CH$LINK: INCHIKEY VNJRIWXLPIYFGI-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID80210387

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 12.800 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$SPLASH: splash10-000i-0091000000-efbcbd3b0675f1f8628f
PK$NUM_PEAK: 13
PK$PEAK: m/z int. rel.int.
  244 12 12
  246 12 12
  259 16 16
  287 999 999
  288 129 129
  289 349 349
  290 47 47
  313 110 110
  314 12 12
  315 39 39
  344 110 110
  345 16 16
  346 43 43
//