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MassBank Record: WA002730

Fipexide; LC-ESI-Q; MS; POS; 60 V

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: WA002730
RECORD_TITLE: Fipexide; LC-ESI-Q; MS; POS; 60 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 60 V

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

PK$SPLASH: splash10-000i-0900000000-382f71cde968c0412658
PK$NUM_PEAK: 5
PK$PEAK: m/z int. rel.int.
  105 67 67
  118 55 55
  135 999 999
  136 67 67
  208 16 16
//

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