ACCESSION: MSBNK-Waters-WA001558
RECORD_TITLE: Fenofibrate; LC-ESI-Q; MS; POS; 45 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 45 V

MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5

PK$SPLASH: splash10-001r-0491000000-1460b973416dadf8a22e
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
  105 12 12
  107 20 20
  121 215 215
  122 16 16
  139 349 349
  140 8 8
  141 94 94
  165 8 8
  184 27 27
  209 8 8
  213 8 8
  233 999 999
  234 78 78
  235 349 349
  236 27 27
  265 8 8
  273 8 8
  313 8 8
  315 8 8
  327 20 20
  361 118 118
  362 20 20
  363 51 51
  383 20 20
//