ACCESSION: MSBNK-Waters-WA002383
RECORD_TITLE: Perindoprilat (diacid form); LC-ESI-Q; MS; POS; 60 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 60 V

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

PK$SPLASH: splash10-00di-0900000000-0e6c7edd5165daa9d6fc
PK$NUM_PEAK: 46
PK$PEAK: m/z int. rel.int.
  107 27 27
  109 27 27
  116 165 165
  122 78 78
  124 764 764
  125 55 55
  126 16 16
  129 20 20
  131 12 12
  133 47 47
  135 12 12
  141 24 24
  142 12 12
  144 576 576
  145 55 55
  147 20 20
  152 16 16
  153 39 39
  158 12 12
  161 12 12
  163 12 12
  166 20 20
  170 999 999
  171 71 71
  184 12 12
  185 16 16
  192 47 47
  195 16 16
  197 12 12
  207 12 12
  208 12 12
  212 12 12
  215 35 35
  233 20 20
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  252 16 16
  259 47 47
  260 12 12
  281 12 12
  295 90 90
  303 27 27
  339 59 59
  341 102 102
  342 27 27
  347 20 20
  351 16 16
//