ACCESSION: MSBNK-Waters-WA001766
RECORD_TITLE: Meclofenamic acid; LC-ESI-Q; MS; POS; 15 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 15 V

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

PK$SPLASH: splash10-0002-0095000000-1c41089bf43d6e142c91
PK$ANNOTATION: m/z type
  334 [M+K]+
  372 [M-H+2K]+
PK$NUM_PEAK: 75
PK$PEAK: m/z int. rel.int.
  101 12 12
  115 20 20
  122 63 63
  152 12 12
  175 24 24
  189 12 12
  200 8 8
  207 39 39
  209 24 24
  216 8 8
  218 16 16
  223 8 8
  230 12 12
  231 31 31
  239 8 8
  244 8 8
  246 12 12
  251 27 27
  255 24 24
  257 90 90
  260 12 12
  261 39 39
  264 16 16
  266 59 59
  268 27 27
  269 55 55
  273 16 16
  278 145 145
  279 16 16
  280 51 51
  284 12 12
  291 8 8
  295 20 20
  296 999 999
  297 188 188
  298 690 690
  299 67 67
  300 141 141
  301 24 24
  303 8 8
  304 43 43
  305 8 8
  306 8 8
  310 24 24
  313 16 16
  314 47 47
  315 8 8
  316 16 16
  321 16 16
  323 86 86
  324 24 24
  326 35 35
  327 8 8
  330 20 20
  334 255 255
  335 39 39
  336 153 153
  337 35 35
  338 74 74
  339 24 24
  343 59 59
  353 31 31
  358 16 16
  359 8 8
  360 16 16
  362 8 8
  367 20 20
  370 16 16
  372 223 223
  373 12 12
  374 172 172
  375 12 12
  376 24 24
  384 8 8
  387 8 8
//