ACCESSION: MSBNK-Waters-WA002142
RECORD_TITLE: 8-Hydroxyloxapine; LC-ESI-Q; MS; POS; 45 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 45 V

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

PK$SPLASH: splash10-000l-0079000000-50ad6ea5cd165d7fb173
PK$NUM_PEAK: 10
PK$PEAK: m/z int. rel.int.
  287 964 964
  288 114 114
  289 317 317
  290 39 39
  313 55 55
  315 16 16
  344 999 999
  345 176 176
  346 372 372
  347 55 55
//