ACCESSION: MSBNK-Waters-WA002382
RECORD_TITLE: Perindoprilat (diacid form); LC-ESI-Q; MS; POS; 75 V, 90 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 75 V, 90 V

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

PK$SPLASH: splash10-00di-0911000000-c7054c8cd62cd28537c1
PK$NUM_PEAK: 77
PK$PEAK: m/z int. rel.int.
  102 12 12
  104 35 35
  105 27 27
  107 98 98
  109 24 24
  110 16 16
  111 12 12
  112 12 12
  114 35 35
  116 71 71
  117 43 43
  122 55 55
  124 999 999
  125 71 71
  127 35 35
  129 78 78
  131 67 67
  132 16 16
  133 55 55
  135 27 27
  139 16 16
  144 180 180
  145 39 39
  146 12 12
  147 20 20
  148 12 12
  149 63 63
  151 31 31
  152 20 20
  153 71 71
  154 12 12
  159 27 27
  160 16 16
  161 20 20
  165 12 12
  166 12 12
  168 16 16
  170 270 270
  171 51 51
  175 24 24
  176 20 20
  177 27 27
  178 16 16
  179 12 12
  184 39 39
  185 27 27
  189 24 24
  191 12 12
  192 39 39
  194 12 12
  195 12 12
  197 20 20
  207 43 43
  208 24 24
  212 20 20
  213 12 12
  215 71 71
  216 12 12
  217 16 16
  219 12 12
  230 12 12
  233 24 24
  241 27 27
  249 12 12
  251 78 78
  259 63 63
  260 16 16
  295 71 71
  296 12 12
  299 12 12
  303 43 43
  304 12 12
  339 71 71
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  342 20 20
  347 24 24
  351 12 12
//