ACCESSION: MSBNK-Waters-WA001762
RECORD_TITLE: Meclofenamic acid; LC-ESI-Q; MS; POS; 75 V, 90 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 75 V, 90 V

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

PK$SPLASH: splash10-003r-0940000000-4e48c90ef628d7b8f193
PK$ANNOTATION: m/z type
  334 [M+K]+
  372 [M-H+2K]+
PK$NUM_PEAK: 120
PK$PEAK: m/z int. rel.int.
  101 8 8
  104 31 31
  105 63 63
  107 12 12
  109 20 20
  111 27 27
  113 125 125
  115 172 172
  117 35 35
  118 8 8
  121 12 12
  122 474 474
  125 35 35
  126 8 8
  127 31 31
  128 71 71
  130 16 16
  133 24 24
  135 31 31
  137 24 24
  139 24 24
  140 24 24
  143 16 16
  147 31 31
  148 8 8
  149 12 12
  151 110 110
  152 266 266
  153 106 106
  154 31 31
  155 27 27
  158 12 12
  159 27 27
  161 12 12
  163 39 39
  164 27 27
  166 47 47
  167 86 86
  168 16 16
  169 16 16
  171 16 16
  173 16 16
  177 51 51
  178 498 498
  179 494 494
  180 999 999
  181 98 98
  182 12 12
  184 654 654
  185 35 35
  188 12 12
  189 31 31
  190 8 8
  192 27 27
  194 16 16
  195 20 20
  196 8 8
  197 12 12
  200 12 12
  201 16 16
  202 12 12
  203 27 27
  205 8 8
  206 59 59
  207 149 149
  208 286 286
  209 67 67
  210 16 16
  213 98 98
  214 333 333
  215 114 114
  216 67 67
  217 43 43
  219 8 8
  226 12 12
  227 8 8
  230 20 20
  231 16 16
  235 12 12
  237 8 8
  239 8 8
  242 325 325
  243 333 333
  244 161 161
  245 90 90
  246 8 8
  247 12 12
  252 8 8
  261 27 27
  263 20 20
  264 16 16
  265 8 8
  271 8 8
  278 16 16
  280 16 16
  289 20 20
  290 12 12
  294 8 8
  296 12 12
  310 8 8
  313 12 12
  321 8 8
  334 59 59
  335 27 27
  336 51 51
  339 12 12
  343 12 12
  355 12 12
  365 8 8
  367 12 12
  369 16 16
  370 8 8
  372 94 94
  373 27 27
  374 102 102
  375 12 12
  376 20 20
  377 8 8
  383 12 12
  385 12 12
//