ACCESSION: MSBNK-Waters-WA001467
RECORD_TITLE: Flurbiprofen; LC-ESI-Q; MS; NEG; 15 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC

CH$NAME: Flurbiprofen
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₅H₁₃FO₂
CH$EXACT_MASS: 244.08996
CH$SMILES: OC(=O)C(C)c(c2)cc(F)c(c2)c(c1)cccc1
CH$IUPAC: InChI=1S/C15H13FO2/c1-10(15(17)18)12-7-8-13(14(16)9-12)11-5-3-2-4-6-11/h2-10H,1H3,(H,17,18)
CH$LINK: CAS 5104-49-4
CH$LINK: INCHIKEY SYTBZMRGLBWNTM-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID0037231

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 18.100 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$SPLASH: splash10-0007-0490200000-2fc6992f519c8e6758c9
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
  167 8 8
  199 693 693
  200 106 106
  243 999 999
  244 196 196
  245 12 12
  279 16 16
  281 8 8
  289 125 125
  290 31 31
  316 16 16
  475 8 8
  487 333 333
  488 118 118
  489 12 12
  509 12 12
  510 8 8
//