MassBank Record: MSBNK-BAFG-CSL2311095395
ACCESSION: MSBNK-BAFG-CSL2311095395
RECORD_TITLE: Donepezil; LC-ESI-QTOF; MS2; 30 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$MASS_SPECTROMETRY: COLLISION_ENERGY 30
AC$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: splash10-0006-5190000000-f329abe48eff476bb086
PK$NUM_PEAK: 33
PK$PEAK: m/z int. rel.int.
65.0434 3.3 17
82.0684 3 15
91.0571 188.7 999
96.0822 5.1 26
105.07 3.3 17
120.0819 11.2 59
134.0969 1.9 10
151.0759 19.8 104
172.1128 21.1 111
186.1281 4.7 24
189.0915 9.9 52
201.0921 2.7 14
203.1075 3.1 16
205.0867 6.2 32
212.1199 2.2 11
217.1221 3.4 18
227.1052 3.9 20
228.1137 3.4 18
229.1209 3.3 17
231.138 2.5 13
233.1178 2.2 11
241.1224 12.4 65
243.1387 95.8 507
245.114 1.9 10
245.1531 4 21
255.1389 9.1 48
259.1336 8.8 46
261.149 4.5 23
270.1495 16.7 88
271.1333 4.9 25
272.1639 4.1 21
273.1489 51.2 271
288.1599 108.7 575
//