MassBank Record: MSBNK-BAFG-CSL2311095834
ACCESSION: MSBNK-BAFG-CSL2311095834
RECORD_TITLE: Lenalidomide; 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$NAME: Lenalidomide
CH$COMPOUND_CLASS: Pharmaceutical
CH$FORMULA: C13H13N3O3
CH$EXACT_MASS: 259.0957
CH$SMILES: Nc1cccc2C(=O)N(Cc12)C3CCC(=O)NC3=O
CH$IUPAC: InChI=1S/C13H13N3O3/c14-9-3-1-2-7-8(9)6-16(13(7)19)10-4-5-11(17)15-12(10)18/h1-3,10H,4-6,14H2,(H,15,17,18)
CH$LINK: CAS
191732-72-6
CH$LINK: INCHIKEY
GOTYRUGSSMKFNF-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 5.24 min
AC$CHROMATOGRAPHY: SOLVENT A: Water 0.1% Formic acid, B: Acetonitrile 0.1% Formic acid
MS$FOCUSED_ION: PRECURSOR_M/Z 260.103
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: splash10-052k-0900000000-924a5a2bba03c9572db1
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
77.0417 0.6 20
84.0464 2 68
92.0497 0.4 13
104.0485 1.5 51
106.0652 12.5 427
119.0578 0.7 23
120.0434 1.6 54
131.0591 3.2 109
132.0432 0.5 17
132.0668 0.6 20
132.0787 1.3 44
133.0537 0.6 20
142.0653 0.6 20
143.0637 0.6 20
144.0788 1.1 37
147.0556 2 68
149.0706 29.2 999
158.0832 0.7 23
159.0912 5.5 188
169.0756 0.8 27
187.0865 24 821
//