ACCESSION: MSBNK-Waters-WA001629
RECORD_TITLE: Fenoprofen; LC-ESI-Q; MS; NEG; 15 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2012.05.21)
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 15 V

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

PK$SPLASH: splash10-0006-0190100000-0e4993814ecabde40daf
PK$ANNOTATION: m/z type
  483 [2M-H]-
PK$NUM_PEAK: 18
PK$PEAK: m/z int. rel.int.
  136 31 31
  137 8 8
  197 149 149
  198 27 27
  234 12 12
  241 999 999
  242 145 145
  243 12 12
  277 8 8
  279 8 8
  287 98 98
  288 12 12
  314 16 16
  402 8 8
  483 153 153
  484 47 47
  485 12 12
  505 12 12
//