MassBank Record: WA001627



 Fenoprofen; LC-ESI-Q; MS; NEG; 45 V 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: WA001627
RECORD_TITLE: Fenoprofen; LC-ESI-Q; MS; NEG; 45 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: Copyright 2007-2011 Nihon Waters K.K.

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$LINK: CAS 31879-05-7
AC$INSTRUMENT: ZQ, Waters AC$INSTRUMENT_TYPE: LC-ESI-Q AC$CHROMATOGRAPHY: RETENTION_TIME 17.800 min AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$CHROMATOGRAPHY: COLUMN_NAME 2.1 mm id - 3. 5{mu}m XTerra C18MS AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE 35 C AC$MASS_SPECTROMETRY: IONIZATION ESI AC$CHROMATOGRAPHY: SAMPLING_CONE 45 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-0002-0900000000-c339de6ee30cb4f90605 PK$NUM_PEAK: 13 PK$PEAK: m/z int. rel.int. 119 8 8 123 8 8 135 20 20 136 20 20 137 12 12 147 8 8 151 12 12 161 16 16 163 8 8 195 39 39 197 999 999 198 149 149 199 12 12 //