ACCESSION: MSBNK-Waters-WA001431
RECORD_TITLE: Lisinopril; 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$NAME: Lisinopril
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₁H₃₁N₃O₅
CH$EXACT_MASS: 405.22637
CH$SMILES: NCCCCC(NC(C(O)=O)CCc(c2)cccc2)C(=O)N(C1)C(CC1)C(O)=O
CH$IUPAC: InChI=1S/C21H31N3O5/c22-13-5-4-9-16(19(25)24-14-6-10-18(24)21(28)29)23-17(20(26)27)12-11-15-7-2-1-3-8-15/h1-3,7-8,16-18,23H,4-6,9-14,22H2,(H,26,27)(H,28,29)/t16-,17-,18-/m0/s1
CH$LINK: CAS 76547-98-3
CH$LINK: INCHIKEY RLAWWYSOJDYHDC-BZSNNMDCSA-N
CH$LINK: COMPTOX DTXSID6040537

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 10.540 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$SPLASH: splash10-0002-0490200000-5bba1d576adba696a40e
PK$NUM_PEAK: 56
PK$PEAK: m/z int. rel.int.
  101 12 12
  103 12 12
  106 12 12
  111 8 8
  112 47 47
  113 35 35
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  118 12 12
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//