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MassBank Record: KO001466

Mefenamic acid; LC-ESI-QQ; MS2; CE:50 V; [M-H]-

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

ACCESSION: KO001466
RECORD_TITLE: Mefenamic acid; LC-ESI-QQ; MS2; CE:50 V; [M-H]-
DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10)
AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID M089

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$LINK: PUBCHEM SID:5243
CH$LINK: INCHIKEY HYYBABOKPJLUIN-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID5023243

AC$INSTRUMENT: API3000, Applied Biosystems
AC$INSTRUMENT_TYPE: LC-ESI-QQ
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V

MS$FOCUSED_ION: PRECURSOR_M/Z 240
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-

PK$SPLASH: splash10-0006-3900000000-86af1c13a0381dd04e17
PK$NUM_PEAK: 14
PK$PEAK: m/z int. rel.int.
  65.300 14851.5 38
  74.700 24752.5 64
  77.000 64356.5 167
  92.500 386139.0 999
  104.800 34653.5 90
  116.000 19802.0 51
  120.400 74257.5 192
  130.300 29703.0 77
  179.300 252475.5 653
  180.100 356436.0 922
  192.600 282178.5 730
  193.300 49505.0 128
  194.500 188119.0 487
  196.100 79208.0 205
//

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