MassBank Record: MSBNK-Waters-WA001939
ACCESSION: MSBNK-Waters-WA001939
RECORD_TITLE: Enalapril; 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$NAME: Enalapril
CH$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 45 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-001i-0494000000-a2722cd2619380272bbf
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
102 8 8
116 20 20
117 59 59
130 184 184
131 8 8
134 82 82
140 8 8
160 137 137
161 8 8
184 12 12
206 12 12
234 999 999
235 121 121
236 8 8
256 8 8
302 24 24
303 251 251
304 35 35
377 125 125
378 16 16
399 74 74
400 12 12
415 8 8
//
system version 2.2.6-SNAPSHOT