ACCESSION: MSBNK-Waters-WA002387
RECORD_TITLE: Perindoprilat (diacid form); 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$NAME: Perindoprilat (diacid form)
CH$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 NEGATIVE
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 30 V

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

PK$SPLASH: splash10-014r-0904000000-81dbd793fad3e479f322
PK$NUM_PEAK: 35
PK$PEAK: m/z int. rel.int.
  101 51 51
  105 12 12
  113 31 31
  116 20 20
  119 78 78
  121 39 39
  122 20 20
  131 31 31
  133 12 12
  136 16 16
  137 20 20
  139 20 20
  143 16 16
  147 27 27
  168 999 999
  169 231 231
  170 12 12
  171 67 67
  173 63 63
  175 12 12
  183 12 12
  197 12 12
  199 12 12
  207 12 12
  209 12 12
  211 12 12
  213 24 24
  245 24 24
  281 27 27
  283 16 16
  314 24 24
  321 43 43
  339 776 776
  340 129 129
  341 35 35
//