ACCESSION: MSBNK-Waters-WA001764
RECORD_TITLE: Meclofenamic acid; LC-ESI-Q; MS; POS; 45 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2012.10.22)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC

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$LINK: CAS 644-62-2
CH$LINK: INCHIKEY SBDNJUWAMKYJOX-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID0048559

AC$INSTRUMENT: ZQ, Waters
AC$INSTRUMENT_TYPE: LC-ESI-Q
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$CHROMATOGRAPHY: RETENTION_TIME 19.200 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 45 V

MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5

PK$SPLASH: splash10-002f-0192000000-6700aff3d08e50132db6
PK$ANNOTATION: m/z type
  334 [M+K]+
  372 [M-H+2K]+
PK$NUM_PEAK: 82
PK$PEAK: m/z int. rel.int.
  100 8 8
  105 59 59
  107 12 12
  113 39 39
  115 71 71
  117 35 35
  118 8 8
  121 27 27
  122 82 82
  126 8 8
  128 27 27
  132 12 12
  133 8 8
  137 16 16
  139 12 12
  143 8 8
  147 20 20
  151 20 20
  159 8 8
  161 31 31
  168 16 16
  169 12 12
  177 12 12
  179 8 8
  182 8 8
  184 43 43
  193 12 12
  196 12 12
  206 8 8
  215 8 8
  216 8 8
  221 12 12
  222 8 8
  231 94 94
  233 27 27
  242 212 212
  243 999 999
  244 192 192
  245 337 337
  246 47 47
  254 8 8
  256 43 43
  264 16 16
  266 20 20
  278 725 725
  279 118 118
  280 462 462
  281 39 39
  282 51 51
  292 12 12
  294 8 8
  296 39 39
  297 12 12
  298 27 27
  299 8 8
  306 16 16
  309 12 12
  310 8 8
  312 27 27
  313 8 8
  322 8 8
  326 8 8
  334 39 39
  336 39 39
  339 12 12
  342 16 16
  343 39 39
  344 8 8
  353 8 8
  357 8 8
  359 8 8
  364 16 16
  367 8 8
  369 12 12
  370 20 20
  372 227 227
  373 16 16
  374 180 180
  375 24 24
  376 51 51
  377 8 8
  382 12 12
//