ACCESSION: MSBNK-Waters-WA002733
RECORD_TITLE: Fipexide; LC-ESI-Q; MS; POS; 15 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC

CH$NAME: Fipexide
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₀H₂₁ClN₂O₄
CH$EXACT_MASS: 388.11898
CH$SMILES: Clc(c4)ccc(c4)OCC(=O)N(C3)CCN(C3)Cc(c1)cc(O2)c(OC2)c1
CH$IUPAC: InChI=1S/C20H21ClN2O4/c21-16-2-4-17(5-3-16)25-13-20(24)23-9-7-22(8-10-23)12-15-1-6-18-19(11-15)27-14-26-18/h1-6,11H,7-10,12-14H2
CH$LINK: CAS 34161-24-5
CH$LINK: INCHIKEY BFUJHVVEMMWLHC-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID5044657

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 14.400 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$SPLASH: splash10-000i-0219000000-757e6045fb60f03ce20f
PK$NUM_PEAK: 19
PK$PEAK: m/z int. rel.int.
  135 411 411
  136 16 16
  219 12 12
  242 82 82
  243 12 12
  253 31 31
  255 31 31
  265 71 71
  266 12 12
  271 47 47
  273 16 16
  355 12 12
  371 31 31
  389 999 999
  390 184 184
  391 360 360
  392 67 67
  411 12 12
  412 20 20
//