ACCESSION: MSBNK-Waters-WA001763
RECORD_TITLE: Meclofenamic acid; LC-ESI-Q; MS; POS; 60 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 60 V

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

PK$SPLASH: splash10-0006-0291000000-b0136c541eaaa5766394
PK$ANNOTATION: m/z type
  334 [M+K]+
  372 [M-H+2K]+
PK$NUM_PEAK: 76
PK$PEAK: m/z int. rel.int.
  104 8 8
  105 12 12
  110 8 8
  111 16 16
  113 27 27
  116 8 8
  117 31 31
  120 8 8
  121 12 12
  122 157 157
  123 39 39
  125 12 12
  127 20 20
  129 12 12
  135 8 8
  136 8 8
  142 8 8
  147 27 27
  149 20 20
  161 20 20
  168 16 16
  173 8 8
  177 12 12
  179 27 27
  180 20 20
  184 204 204
  191 16 16
  195 12 12
  201 8 8
  207 35 35
  208 47 47
  213 12 12
  214 47 47
  215 27 27
  216 16 16
  224 8 8
  229 12 12
  230 12 12
  231 47 47
  238 8 8
  242 129 129
  243 999 999
  244 184 184
  245 317 317
  246 39 39
  260 24 24
  265 12 12
  274 8 8
  278 192 192
  279 31 31
  280 118 118
  281 12 12
  283 8 8
  285 8 8
  296 12 12
  300 8 8
  304 8 8
  313 8 8
  327 12 12
  334 35 35
  335 8 8
  336 59 59
  337 12 12
  338 8 8
  343 24 24
  344 12 12
  356 8 8
  367 8 8
  369 51 51
  372 106 106
  373 8 8
  374 43 43
  375 12 12
  376 24 24
  383 8 8
  384 8 8
//