ACCESSION: MSBNK-Waters-WA001454
RECORD_TITLE: Imidapril; LC-ESI-Q; MS; NEG; 30 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 NEGATIVE
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 30 V

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

PK$SPLASH: splash10-0udi-0110900000-1f412448d6405f976a01
PK$NUM_PEAK: 66
PK$PEAK: m/z int. rel.int.
  102 8 8
  108 8 8
  113 8 8
  123 8 8
  128 8 8
  138 12 12
  145 8 8
  153 16 16
  157 8 8
  159 12 12
  161 8 8
  163 8 8
  165 8 8
  172 8 8
  173 8 8
  174 8 8
  183 8 8
  187 12 12
  196 8 8
  197 8 8
  199 8 8
  203 12 12
  207 8 8
  209 8 8
  211 8 8
  218 8 8
  226 8 8
  234 8 8
  235 8 8
  239 8 8
  242 8 8
  243 12 12
  251 8 8
  259 8 8
  261 8 8
  277 16 16
  278 8 8
  282 8 8
  290 8 8
  293 8 8
  309 8 8
  312 8 8
  339 8 8
  343 8 8
  344 8 8
  356 8 8
  360 31 31
  369 8 8
  371 12 12
  381 8 8
  387 8 8
  399 12 12
  404 999 999
  405 125 125
  406 20 20
  416 8 8
  418 8 8
  419 8 8
  427 12 12
  430 8 8
  433 8 8
  439 8 8
  444 12 12
  445 12 12
  448 8 8
  451 8 8
//