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MassBank Record: WA001451

Imidapril; LC-ESI-Q; MS; POS; 45 V

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

ACCESSION: WA001451
RECORD_TITLE: Imidapril; LC-ESI-Q; MS; POS; 45 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 45 V

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

PK$SPLASH: splash10-001i-0693400000-26795411dd95a392fd24
PK$NUM_PEAK: 32
PK$PEAK: m/z int. rel.int.
  102 12 12
  117 102 102
  130 157 157
  131 8 8
  134 86 86
  135 8 8
  145 74 74
  155 24 24
  160 129 129
  161 8 8
  186 8 8
  188 20 20
  199 243 243
  200 20 20
  206 24 24
  234 999 999
  235 129 129
  236 12 12
  256 51 51
  261 31 31
  262 27 27
  280 12 12
  288 12 12
  332 388 388
  333 71 71
  406 384 384
  407 78 78
  408 12 12
  428 133 133
  429 20 20
  444 31 31
  450 12 12
//

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