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MassBank Record: WA002384

Perindoprilat (diacid form); LC-ESI-Q; MS; POS; 45 V

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: WA002384
RECORD_TITLE: Perindoprilat (diacid form); LC-ESI-Q; MS; POS; 45 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 45 V

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

PK$SPLASH: splash10-00dl-0900000000-b29add841428616c2f38
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
  102 20 20
  107 20 20
  109 27 27
  111 12 12
  116 59 59
  122 35 35
  124 133 133
  128 16 16
  133 39 39
  141 12 12
  144 521 521
  145 31 31
  170 999 999
  171 74 74
  177 16 16
  185 12 12
  192 24 24
  194 12 12
  215 12 12
  251 12 12
  295 106 106
  296 20 20
  339 16 16
  341 121 121
  342 27 27
//

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