ACCESSION: MSBNK-Waters-WA002386
RECORD_TITLE: Perindoprilat (diacid form); 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$NAME: Perindoprilat (diacid form)
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₇H₂₈N₂O₅
CH$EXACT_MASS: 340.19982
CH$SMILES: CCCC(C(O)=O)NC(C)C(=O)N(C(C(O)=O)1)C([H])(C2)C([H])(CCC2)C1
CH$IUPAC: InChI=1S/C17H28N2O5/c1-3-6-12(16(21)22)18-10(2)15(20)19-13-8-5-4-7-11(13)9-14(19)17(23)24/h10-14,18H,3-9H2,1-2H3,(H,21,22)(H,23,24)/t10-,11-,12-,13-,14-/m0/s1
CH$LINK: CAS 95153-31-4
CH$LINK: INCHIKEY ODAIHABQVKJNIY-PEDHHIEDSA-N
CH$LINK: COMPTOX DTXSID90869249

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 10.700 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$SPLASH: splash10-0006-0309000000-090cf33adf1236a5727b
PK$NUM_PEAK: 30
PK$PEAK: m/z int. rel.int.
  101 20 20
  104 16 16
  116 12 12
  122 67 67
  123 16 16
  124 16 16
  134 12 12
  142 24 24
  149 16 16
  155 39 39
  156 12 12
  158 20 20
  163 16 16
  167 16 16
  170 35 35
  172 63 63
  184 12 12
  188 35 35
  193 31 31
  203 12 12
  207 27 27
  210 16 16
  211 12 12
  237 12 12
  243 12 12
  249 12 12
  297 12 12
  341 999 999
  342 165 165
  343 24 24
//