MassBank Record: MSBNK-Waters-WA001560
ACCESSION: MSBNK-Waters-WA001560
RECORD_TITLE: Fenofibrate; LC-ESI-Q; MS; POS; 15 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2012.01.25)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC
CH$NAME: Fenofibrate
CH$COMPOUND_CLASS: Non-Natural Product; DRUGS
CH$FORMULA: C20H21ClO4
CH$EXACT_MASS: 360.11284
CH$SMILES: CC(C)OC(=O)C(C)(C)Oc(c2)ccc(c2)C(=O)c(c1)ccc(Cl)c1
CH$IUPAC: InChI=1S/C20H21ClO4/c1-13(2)24-19(23)20(3,4)25-17-11-7-15(8-12-17)18(22)14-5-9-16(21)10-6-14/h5-13H,1-4H3
CH$LINK: CHEMSPIDER
3222
CH$LINK: PUBCHEM
CID:3339
CH$LINK: INCHIKEY
YMTINGFKWWXKFG-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID2029874
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 21.720 min
AC$CHROMATOGRAPHY: COLUMN_NAME 2.1 mm id - 3. 5{mu}m XTerra C18MS
AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE 35 C
AC$CHROMATOGRAPHY: SAMPLING_CONE 15 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-03di-0009000000-47813b06bb848a70e87d
PK$NUM_PEAK: 31
PK$PEAK: m/z int. rel.int.
105 27 27
110 12 12
178 8 8
188 20 20
204 20 20
233 8 8
249 20 20
252 12 12
264 8 8
266 8 8
274 8 8
291 24 24
292 12 12
321 8 8
325 8 8
346 8 8
353 8 8
361 999 999
362 204 204
363 396 396
364 67 67
368 16 16
369 35 35
370 12 12
372 20 20
376 12 12
378 51 51
379 8 8
380 20 20
383 8 8
386 8 8
//