MassBank Record: MSBNK-Waters-WA001556
ACCESSION: MSBNK-Waters-WA001556
RECORD_TITLE: Fenofibrate; LC-ESI-Q; MS; POS; 75 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$CHROMATOGRAPHY: SAMPLING_CONE 75 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-0079-0900000000-4f3ca989597e37f3d665
PK$NUM_PEAK: 15
PK$PEAK: m/z int. rel.int.
104 8 8
111 286 286
113 94 94
121 748 748
122 55 55
134 24 24
139 999 999
140 43 43
141 329 329
142 20 20
152 63 63
153 8 8
154 20 20
233 59 59
235 20 20
//
system version 2.2.6-SNAPSHOT