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MassBank Record: WA001453

Imidapril; LC-ESI-Q; MS; POS; 15 V

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

ACCESSION: WA001453
RECORD_TITLE: Imidapril; 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$NAME: Imidapril
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C20H27N3O6
CH$EXACT_MASS: 405.18999
CH$SMILES: CCOC(=O)C(CCc(c2)cccc2)NC(C)C(=O)N(C(=O)1)C(C(O)=O)CN(C)1
CH$IUPAC: InChI=1S/C20H27N3O6/c1-4-29-19(27)15(11-10-14-8-6-5-7-9-14)21-13(2)17(24)23-16(18(25)26)12-22(3)20(23)28/h5-9,13,15-16,21H,4,10-12H2,1-3H3,(H,25,26)/t13-,15-,16-/m0/s1
CH$LINK: CAS 89371-37-9
CH$LINK: INCHIKEY KLZWOWYOHUKJIG-BPUTZDHNSA-N
CH$LINK: COMPTOX DTXSID2048242

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 13.340 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$SPLASH: splash10-0a4i-0000900000-cbe77712a984559e4715
PK$NUM_PEAK: 10
PK$PEAK: m/z int. rel.int.
  122 8 8
  208 106 106
  209 16 16
  362 39 39
  363 8 8
  406 999 999
  407 215 215
  408 20 20
  428 51 51
  444 16 16
//

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