MassBank Record: WA001937

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Enalapril; LC-ESI-Q; MS; POS; 75 V, 90 V

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

ACCESSION: WA001937
RECORD_TITLE: Enalapril; 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$NAME: Enalapril
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C20H28N2O5
CH$EXACT_MASS: 376.19981999999998834027792327105998992919921875
CH$SMILES: CCOC(=O)C(CCc(c2)cccc2)NC(C)C(=O)N(C1)C(CC1)C(O)=O
CH$IUPAC: InChI=1S/C20H28N2O5/c1-3-27-20(26)16(12-11-15-8-5-4-6-9-15)21-14(2)18(23)22-13-7-10-17(22)19(24)25/h4-6,8-9,14,16-17,21H,3,7,10-13H2,1-2H3,(H,24,25)/t14-,16-,17-/m0/s1
CH$LINK: CAS 75847-73-3
CH$LINK: COMPTOX DTXSID5022982
CH$LINK: INCHIKEY GBXSMTUPTTWBMN-XIRDDKMYSA-N

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: COLUMN_NAME 2.1 mm id - 3. 5{mu}m XTerra C18MS
AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE 35 C
AC$CHROMATOGRAPHY: RETENTION_TIME 13.400 min
AC$CHROMATOGRAPHY: SAMPLING_CONE 75 V, 90 V

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

PK$SPLASH: splash10-014i-0900000000-cc5499ad084aa9a3717f
PK$NUM_PEAK: 19
PK$PEAK: m/z int. rel.int.
  100 8 8
  102 137 137
  105 20 20
  115 47 47
  116 8 8
  117 999 999
  118 55 55
  128 8 8
  130 118 118
  132 110 110
  134 71 71
  143 12 12
  160 141 141
  161 16 16
  234 20 20
  302 20 20
  309 8 8
  377 24 24
  399 12 12
//