MassBank Record: MSBNK-Keio_Univ-KO001466
ACCESSION: MSBNK-Keio_Univ-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
//