MassBank Record: MSBNK-Waters-WA001765
ACCESSION: MSBNK-Waters-WA001765
RECORD_TITLE: Meclofenamic acid; LC-ESI-Q; MS; POS; 30 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2012.10.22)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC
CH$NAME: Meclofenamic acid
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C14H11Cl2NO2
CH$EXACT_MASS: 295.01668
CH$SMILES: OC(=O)c(c2)c(ccc2)Nc(c(Cl)1)c(Cl)c(C)cc1
CH$IUPAC: InChI=1S/C14H11Cl2NO2/c1-8-6-7-10(15)13(12(8)16)17-11-5-3-2-4-9(11)14(18)19/h2-7,17H,1H3,(H,18,19)
CH$LINK: CAS
644-62-2
CH$LINK: INCHIKEY
SBDNJUWAMKYJOX-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID0048559
AC$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$CHROMATOGRAPHY: RETENTION_TIME 19.200 min
AC$CHROMATOGRAPHY: COLUMN_NAME 2.1 mm id - 3. 5{mu}m XTerra C18MS
AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE 35 C
AC$CHROMATOGRAPHY: SAMPLING_CONE 30 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-005a-0093000000-c2e21c9fe57bd5a5bcee
PK$ANNOTATION: m/z type
334 [M+K]+
372 [M-H+2K]+
PK$NUM_PEAK: 104
PK$PEAK: m/z int. rel.int.
108 31 31
109 12 12
116 12 12
122 12 12
125 8 8
128 12 12
129 27 27
133 20 20
135 12 12
145 8 8
146 20 20
151 8 8
152 8 8
157 8 8
160 27 27
165 12 12
167 8 8
171 8 8
172 8 8
175 8 8
177 24 24
179 12 12
183 39 39
184 8 8
190 8 8
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195 8 8
199 16 16
200 12 12
203 16 16
204 8 8
209 8 8
210 12 12
212 8 8
213 47 47
221 31 31
222 24 24
229 31 31
231 67 67
233 31 31
234 8 8
235 24 24
237 20 20
238 20 20
242 63 63
243 411 411
244 110 110
245 133 133
246 12 12
250 8 8
258 16 16
261 8 8
264 8 8
266 12 12
268 12 12
269 27 27
270 16 16
278 999 999
279 145 145
280 686 686
281 121 121
282 129 129
283 12 12
284 12 12
289 8 8
292 8 8
293 12 12
296 239 239
297 20 20
298 215 215
299 31 31
300 55 55
310 8 8
312 8 8
313 24 24
318 12 12
319 20 20
322 8 8
326 8 8
327 12 12
328 16 16
334 137 137
336 86 86
338 12 12
339 24 24
341 8 8
343 59 59
344 16 16
352 12 12
356 8 8
357 35 35
366 8 8
367 27 27
369 8 8
370 35 35
372 282 282
373 94 94
374 223 223
375 55 55
376 47 47
377 27 27
378 20 20
382 12 12
383 12 12
//