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MassBank Record: WA002387

Perindoprilat (diacid form); LC-ESI-Q; MS; NEG; 30 V

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

ACCESSION: 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
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  113 31 31
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  168 999 999
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  173 63 63
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  321 43 43
  339 776 776
  340 129 129
  341 35 35
//

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