MassBank Record: MSBNK-BAFG-CSL2311095396
ACCESSION: MSBNK-BAFG-CSL2311095396
RECORD_TITLE: Donepezil; LC-ESI-QTOF; MS2; 40 V
DATE: 2023.11.09
AUTHORS: Kevin S. Jewell; Björn Ehlig; Arne Wick
LICENSE: dl-de/by-2-0
COPYRIGHT: Copyright 2023 Federal Institute of Hydrology, Koblenz, Germany
COMMENT: CONFIDENCE Reference Standard (Level 1)
COMMENT: Chromatography method: dx.doi.org/10.1016/j.chroma.2015.11.014
COMMENT: Acquisition method: 10.1002/rcm.8541
CH$NAME: Donepezil
CH$COMPOUND_CLASS: Pharmaceutical
CH$FORMULA: C24H29NO3
CH$EXACT_MASS: 379.2147
CH$SMILES: COc1cc2CC(CC3CCN(CC3)Cc4ccccc4)C(=O)c2cc1OC
CH$IUPAC: InChI=1S/C24H29NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-7,14-15,17,20H,8-13,16H2,1-2H3
CH$LINK: CAS
120014-06-4
CH$LINK: INCHIKEY
ADEBPBSSDYVVLD-UHFFFAOYSA-N
AC$INSTRUMENT: TripleTOF 5600 SCIEX
AC$INSTRUMENT_TYPE: LC-ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40
AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$CHROMATOGRAPHY: COLUMN_NAME Zorbax Eclipse Plus C18 2.1 mm x 150 mm, 3.5 um, Agilent
AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE 40 °C
AC$CHROMATOGRAPHY: FLOW_GRADIENT 0 min min 98% A, 1 min 98% A, 2 min 80% A, 16.5 min 2% A, 22 min 2% A, 22.1 min 98% A, 27 min 98% A
AC$CHROMATOGRAPHY: FLOW_RATE 0.3 mL/min
AC$CHROMATOGRAPHY: RETENTION_TIME 7.429 min
AC$CHROMATOGRAPHY: SOLVENT A: Water 0.1% Formic acid, B: Acetonitrile 0.1% Formic acid
MS$FOCUSED_ION: PRECURSOR_M/Z 380.222
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: COMMENT Export with Spectra 1.9.12 MsBackendMassbank 1.7.4
MS$DATA_PROCESSING: WHOLE RMassBank 2.3.1
PK$SPLASH: splash10-0006-9270000000-6c473e03c5d53f954e5a
PK$NUM_PEAK: 32
PK$PEAK: m/z int. rel.int.
65.0436 12 28
82.0679 6.4 15
91.0573 422.6 999
96.0821 10.4 24
105.071 9 21
120.0812 9.3 21
151.0762 43.1 101
172.1128 27.7 65
177.0908 4.9 11
186.1277 6.8 16
189.0923 20.8 49
201.0905 8.3 19
203.1067 7.1 16
205.0864 12.5 29
209.0979 4.6 10
212.1189 7.3 17
215.107 4.5 10
217.1232 6 14
227.1079 6.1 14
228.1151 10.1 23
229.122 6.6 15
231.1383 5.5 13
233.1196 5.3 12
241.1227 16.2 38
243.1387 124.1 293
245.1172 6.1 14
255.139 8.6 20
259.1327 9 21
270.1497 24 56
271.134 7.5 17
273.1495 32.6 77
288.1603 59.8 141
//