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MassBank Record: WA001180

Mefenamic acid; LC-ESI-Q; MS; POS; 90 V

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: WA001180
RECORD_TITLE: Mefenamic acid; LC-ESI-Q; MS; POS; 90 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC

CH$NAME: Mefenamic acid
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C15H15NO2
CH$EXACT_MASS: 241.11028
CH$SMILES: OC(=O)c(c2)c(ccc2)Nc(c1)c(C)c(C)cc1
CH$IUPAC: InChI=1S/C15H15NO2/c1-10-6-5-9-13(11(10)2)16-14-8-4-3-7-12(14)15(17)18/h3-9,16H,1-2H3,(H,17,18)
CH$LINK: CAS 61-68-7
CH$LINK: INCHIKEY HYYBABOKPJLUIN-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID5023243

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 19.340 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 90 V

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

PK$SPLASH: splash10-053r-0960000000-0f551f81576930b569fe
PK$NUM_PEAK: 37
PK$PEAK: m/z int. rel.int.
  115 8 8
  118 16 16
  128 8 8
  152 35 35
  153 24 24
  154 31 31
  155 8 8
  165 8 8
  166 31 31
  167 98 98
  168 31 31
  169 8 8
  178 20 20
  179 106 106
  180 999 999
  181 215 215
  182 24 24
  183 43 43
  184 8 8
  191 8 8
  192 20 20
  193 27 27
  194 110 110
  195 27 27
  196 39 39
  197 8 8
  204 16 16
  207 27 27
  208 548 548
  209 548 548
  210 63 63
  220 8 8
  222 106 106
  223 31 31
  224 82 82
  225 12 12
  242 8 8
//

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