MassBank Record: WA001625



 Fenoprofen; LC-ESI-Q; MS; NEG; 75 V 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: 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: 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 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 55 129 20 20 131 12 12 133 16 16 136 35 35 138 24 24 140 27 27 141 47 47 143 20 20 145 16 16 147 86 86 152 8 8 158 24 24 160 8 8 161 114 114 162 24 24 163 78 78 164 16 16 165 78 78 167 16 16 168 20 20 171 35 35 177 8 8 180 16 16 181 63 63 182 43 43 183 43 43 187 16 16 191 24 24 193 39 39 195 662 662 196 153 153 197 666 666 198 90 90 203 12 12 206 8 8 208 16 16 209 31 31 211 8 8 213 27 27 215 35 35 217 16 16 219 31 31 220 8 8 223 8 8 224 8 8 225 16 16 226 8 8 230 8 8 231 8 8 232 8 8 235 12 12 239 8 8 240 8 8 241 20 20 243 8 8 245 24 24 250 16 16 252 20 20 253 8 8 //