ACCESSION: MSBNK-Waters-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: 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 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
//