MassBank Record: MSBNK-Waters-WA001180
ACCESSION: MSBNK-Waters-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
//