MassBank Record: WA001765



 Meclofenamic acid; LC-ESI-Q; MS; POS; 30 V 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: WA001765
RECORD_TITLE: Meclofenamic acid; LC-ESI-Q; MS; POS; 30 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2012.10.22)
AUTHORS: Nihon Waters K.K.
LICENSE: Copyright 2007-2011 Nihon Waters K.K.

CH$NAME: Meclofenamic acid CH$COMPOUND_CLASS: N/A CH$FORMULA: C14H11Cl2NO2 CH$EXACT_MASS: 295.01668 CH$SMILES: OC(=O)c(c2)c(ccc2)Nc(c(Cl)1)c(Cl)c(C)cc1 CH$IUPAC: InChI=1S/C14H11Cl2NO2/c1-8-6-7-10(15)13(12(8)16)17-11-5-3-2-4-9(11)14(18)19/h2-7,17H,1H3,(H,18,19) CH$LINK: CAS 644-62-2
AC$INSTRUMENT: ZQ, Waters AC$INSTRUMENT_TYPE: LC-ESI-Q AC$CHROMATOGRAPHY: RETENTION_TIME 19.200 min AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE 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 30 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-005a-0093000000-c2e21c9fe57bd5a5bcee PK$ANNOTATION: m/z type 334 [M+K]+ 372 [M-H+2K]+ PK$NUM_PEAK: 104 PK$PEAK: m/z int. rel.int. 108 31 31 109 12 12 116 12 12 122 12 12 125 8 8 128 12 12 129 27 27 133 20 20 135 12 12 145 8 8 146 20 20 151 8 8 152 8 8 157 8 8 160 27 27 165 12 12 167 8 8 171 8 8 172 8 8 175 8 8 177 24 24 179 12 12 183 39 39 184 8 8 190 8 8 193 31 31 195 8 8 199 16 16 200 12 12 203 16 16 204 8 8 209 8 8 210 12 12 212 8 8 213 47 47 221 31 31 222 24 24 229 31 31 231 67 67 233 31 31 234 8 8 235 24 24 237 20 20 238 20 20 242 63 63 243 411 411 244 110 110 245 133 133 246 12 12 250 8 8 258 16 16 261 8 8 264 8 8 266 12 12 268 12 12 269 27 27 270 16 16 278 999 999 279 145 145 280 686 686 281 121 121 282 129 129 283 12 12 284 12 12 289 8 8 292 8 8 293 12 12 296 239 239 297 20 20 298 215 215 299 31 31 300 55 55 310 8 8 312 8 8 313 24 24 318 12 12 319 20 20 322 8 8 326 8 8 327 12 12 328 16 16 334 137 137 336 86 86 338 12 12 339 24 24 341 8 8 343 59 59 344 16 16 352 12 12 356 8 8 357 35 35 366 8 8 367 27 27 369 8 8 370 35 35 372 282 282 373 94 94 374 223 223 375 55 55 376 47 47 377 27 27 378 20 20 382 12 12 383 12 12 //