ACCESSION: MSBNK-Waters-WA001938
RECORD_TITLE: Enalapril; 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$NAME: Enalapril
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₀H₂₈N₂O₅
CH$EXACT_MASS: 376.19982
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: INCHIKEY GBXSMTUPTTWBMN-XIRDDKMYSA-N
CH$LINK: COMPTOX DTXSID5022982

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 13.400 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$SPLASH: splash10-00lr-0910000000-d1aa453292974e2c67ac
PK$NUM_PEAK: 31
PK$PEAK: m/z int. rel.int.
  102 192 192
  105 16 16
  114 8 8
  116 31 31
  117 999 999
  118 63 63
  127 8 8
  130 690 690
  131 27 27
  132 24 24
  134 380 380
  135 20 20
  143 12 12
  160 642 642
  161 51 51
  162 16 16
  171 8 8
  175 8 8
  184 12 12
  206 39 39
  232 12 12
  234 576 576
  235 67 67
  256 12 12
  302 59 59
  303 102 102
  304 12 12
  377 31 31
  399 63 63
  400 8 8
  421 8 8
//