ACCESSION: MSBNK-Keio_Univ-KO009074
RECORD_TITLE: Mefenamic acid; LC-ESI-IT; MS3; m/z: 242/224; [M+H]+
DATE: 2011.12.05 (Created 2008.05.12)
AUTHORS: Ojima Y, Kakazu Y, Horai H, Soga T, Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID M089
COMMENT: [MS2] KO009073

CH$NAME: Mefenamate
CH$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$LINK: KEGG C02168
CH$LINK: NIKKAJI J2.344B
CH$LINK: PUBCHEM 5243
CH$LINK: INCHIKEY HYYBABOKPJLUIN-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID5023243

AC$INSTRUMENT: LC/MSD Trap XCT, Agilent Technologies
AC$INSTRUMENT_TYPE: LC-ESI-IT
AC$MASS_SPECTROMETRY: MS_TYPE MS3
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 0.70/0.85

MS$FOCUSED_ION: PRECURSOR_M/Z 242/224
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE LC/MSD Trap Control and Data Analysis

PK$SPLASH: splash10-0a4i-0390000000-7a074909e076a32be54b
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
  83.2 0.85 7
  107.0 6.44 53
  109.1 2.15 18
  125.2 3.99 33
  137.0 4.52 37
  146.1 0.92 8
  147.1 1.46 12
  162.9 9.70 79
  165.1 3.23 26
  167.1 2.23 18
  179.1 1.22 10
  180.1 17.15 140
  183.0 10.15 83
  187.1 4.60 38
  199.9 25.56 209
  205.1 12.71 104
  206.0 6.05 50
  208.0 5.53 45
  209.0 122.00 999
  224.1 45.59 373
  227.0 9.24 76
  240.9 40.01 328
  241.9 3.15 26
  260.9 4.83 40
//