ACCESSION: MSBNK-Waters-WA002381
RECORD_TITLE: Perindopril; 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$NAME: Perindopril
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₉H₃₂N₂O₅
CH$EXACT_MASS: 368.23112
CH$SMILES: CCOC(=O)C(CCC)NC(C)C(=O)N(C(C(O)=O)1)C([H])(C2)C([H])(CCC2)C1
CH$IUPAC: InChI=1S/C19H32N2O5/c1-4-8-14(19(25)26-5-2)20-12(3)17(22)21-15-10-7-6-9-13(15)11-16(21)18(23)24/h12-16,20H,4-11H2,1-3H3,(H,23,24)/t12-,13-,14-,15-,16-/m0/s1
CH$LINK: CAS 82834-16-0
CH$LINK: INCHIKEY IPVQLZZIHOAWMC-QXKUPLGCSA-N
CH$LINK: COMPTOX DTXSID6023440

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 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 30 V

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

PK$SPLASH: splash10-014i-0239000000-5e11de1eb95681dd9f5d
PK$NUM_PEAK: 98
PK$PEAK: m/z int. rel.int.
  103 12 12
  105 31 31
  109 16 16
  112 31 31
  115 16 16
  117 12 12
  123 43 43
  124 12 12
  125 43 43
  131 12 12
  132 16 16
  138 27 27
  141 24 24
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  160 24 24
  163 16 16
  167 20 20
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  213 20 20
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  218 24 24
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  276 12 12
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  413 16 16
//