ACCESSION: MSBNK-Waters-WA002139
RECORD_TITLE: 8-Hydroxyloxapine; 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$NAME: 8-Hydroxyloxapine
CH$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 90 V

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

PK$SPLASH: splash10-0a4r-0190000000-7cca18be0e5f0654eb05
PK$NUM_PEAK: 86
PK$PEAK: m/z int. rel.int.
  120 51 51
  124 12 12
  134 39 39
  135 90 90
  153 51 51
  154 16 16
  164 12 12
  168 12 12
  178 12 12
  180 39 39
  181 47 47
  182 12 12
  183 24 24
  188 27 27
  189 24 24
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  192 12 12
  193 16 16
  195 20 20
  196 16 16
  200 12 12
  203 12 12
  204 16 16
  205 51 51
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  207 27 27
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  210 110 110
  211 12 12
  214 12 12
  215 12 12
  216 82 82
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  218 55 55
  219 31 31
  220 20 20
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  222 27 27
  223 51 51
  224 35 35
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  230 16 16
  231 71 71
  232 20 20
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  234 12 12
  235 12 12
  237 12 12
  240 12 12
  241 20 20
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  245 43 43
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  247 16 16
  248 12 12
  249 12 12
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  251 55 55
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  257 43 43
  258 24 24
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  346 24 24
//