MassBank Record: WA001629



 Fenoprofen; LC-ESI-Q; MS; NEG; 15 V 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: 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: 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 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 //