ACCESSION: MSBNK-Waters-WA001235
RECORD_TITLE: Norfluoxetine; 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$NAME: Norfluoxetine
CH$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 60 V

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

PK$SPLASH: splash10-014i-0930000000-9c75a3853b05450ec33b
PK$NUM_PEAK: 105
PK$PEAK: m/z int. rel.int.
  101 16 16
  102 27 27
  103 78 78
  104 43 43
  105 212 212
  106 74 74
  109 71 71
  110 16 16
  112 24 24
  114 12 12
  115 999 999
  116 133 133
  117 545 545
  118 133 133
  119 63 63
  120 16 16
  121 51 51
  122 20 20
  124 20 20
  127 82 82
  132 141 141
  133 35 35
  134 24 24
  135 31 31
  140 90 90
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  147 27 27
  148 16 16
  149 16 16
  152 67 67
  153 102 102
  154 43 43
  156 35 35
  159 39 39
  161 16 16
  165 24 24
  168 24 24
  169 12 12
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  173 168 168
  174 24 24
  175 106 106
  177 78 78
  178 20 20
  179 8 8
  180 27 27
  181 137 137
  182 74 74
  183 55 55
  185 78 78
  187 71 71
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  199 51 51
  200 39 39
  201 125 125
  202 55 55
  204 12 12
  209 12 12
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  291 39 39
  295 12 12
  296 55 55
  297 16 16
  298 27 27
  300 16 16
  304 16 16
  313 12 12
//