ACCESSION: MSBNK-Waters-WA001234
RECORD_TITLE: Norfluoxetine; LC-ESI-Q; MS; POS; 75 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC

CH$NAME: Norfluoxetine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₆H₁₆F₃NO
CH$EXACT_MASS: 295.11840
CH$SMILES: NCCC(Oc(c2)ccc(c2)C(F)(F)F)c(c1)cccc1
CH$IUPAC: InChI=1S/C16H16F3NO/c17-16(18,19)13-6-8-14(9-7-13)21-15(10-11-20)12-4-2-1-3-5-12/h1-9,15H,10-11,20H2
CH$LINK: CAS 56161-73-0
CH$LINK: INCHIKEY WIQRCHMSJFFONW-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID80866540

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 15.000 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 75 V

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

PK$SPLASH: splash10-014i-0920000000-a8d49d23ecef3e40300d
PK$NUM_PEAK: 108
PK$PEAK: m/z int. rel.int.
  101 12 12
  105 255 255
  106 106 106
  107 20 20
  109 51 51
  110 20 20
  111 8 8
  112 12 12
  113 55 55
  114 63 63
  115 999 999
  116 161 161
  117 192 192
  118 43 43
  123 12 12
  124 43 43
  127 266 266
  130 12 12
  131 67 67
  132 27 27
  133 125 125
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  138 12 12
  139 47 47
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  152 8 8
  153 176 176
  154 59 59
  155 20 20
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  161 24 24
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  165 16 16
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  175 121 121
  176 24 24
  178 24 24
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  180 12 12
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  182 165 165
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  195 8 8
  197 12 12
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  205 8 8
  208 8 8
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  213 20 20
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  309 12 12
  315 43 43
//