ACCESSION: MSBNK-BAFG-CSL2311095836
RECORD_TITLE: Lenalidomide; LC-ESI-QTOF; MS2; 80 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$MASS_SPECTROMETRY: COLLISION_ENERGY 80
AC$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$SPLASH: splash10-0fvi-8900000000-3c5161f4b943c469e1b8
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
  65.0432 2 384
  77.0412 5 960
  77.0653 0.5 96
  78.0406 1.2 230
  79.0578 1.2 230
  84.0493 0.4 76
  89.0406 1.2 230
  92.0506 3.2 614
  102.033 0.5 96
  104.0502 5.2 999
  105.059 0.6 115
  106.0661 2.3 441
  115.0535 1.7 326
  116.0492 0.6 115
  117.0568 0.7 134
  119.0601 1.5 288
  130.0425 0.4 76
  130.0636 0.5 96
  131.0622 1 192
  144.0677 0.4 76
  147.058 0.5 96
//