ACCESSION: MSBNK-Waters-WA001625
RECORD_TITLE: Fenoprofen; LC-ESI-Q; MS; NEG; 75 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC

CH$NAME: Fenoprofen
CH$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 75 V

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

PK$SPLASH: splash10-00kb-0900000000-7e9599c3ade261f8e797
PK$NUM_PEAK: 72
PK$PEAK: m/z int. rel.int.
  107 12 12
  108 12 12
  109 24 24
  111 27 27
  117 35 35
  119 999 999
  120 86 86
  121 31 31
  122 20 20
  124 8 8
  125 8 8
  126 20 20
  128 55 55
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  140 27 27
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  143 20 20
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  147 86 86
  152 8 8
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  165 78 78
  167 16 16
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  195 662 662
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  232 8 8
  235 12 12
  239 8 8
  240 8 8
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  245 24 24
  250 16 16
  252 20 20
  253 8 8
//