ACCESSION: MSBNK-Waters-WA001626
RECORD_TITLE: Fenoprofen; LC-ESI-Q; MS; NEG; 60 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC

CH$NAME: Fenoprofen
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₅H₁₄O₃
CH$EXACT_MASS: 242.09429
CH$SMILES: OC(=O)C(C)c(c2)cc(cc2)Oc(c1)cccc1
CH$IUPAC: InChI=1S/C15H14O3/c1-11(15(16)17)12-6-5-9-14(10-12)18-13-7-3-2-4-8-13/h2-11H,1H3,(H,16,17)
CH$LINK: CAS 31879-05-7
CH$LINK: INCHIKEY RDJGLLICXDHJDY-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID9023045

AC$INSTRUMENT: ZQ, Waters
AC$INSTRUMENT_TYPE: LC-ESI-Q
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$CHROMATOGRAPHY: RETENTION_TIME 17.800 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$SPLASH: splash10-0002-0900000000-d9280f251c7ce50b0068
PK$NUM_PEAK: 64
PK$PEAK: m/z int. rel.int.
  106 12 12
  108 20 20
  109 27 27
  117 8 8
  119 325 325
  120 106 106
  121 43 43
  122 47 47
  123 20 20
  126 27 27
  128 12 12
  131 8 8
  132 8 8
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  135 27 27
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  142 12 12
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  149 27 27
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  165 24 24
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  175 12 12
  180 12 12
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  196 141 141
  197 999 999
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  242 12 12
  248 8 8
  249 8 8
  250 27 27
  251 12 12
//