ACCESSION: MSBNK-BAFG-CSL2311095826
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$SPLASH: splash10-000b-0900000000-a10ef2777dc9547c18b7
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
  77.0447 0.5 20
  79.0568 0.5 20
  84.0493 1.3 54
  92.0525 1 41
  104.05 1.4 58
  106.065 8.3 346
  115.0528 0.8 33
  117.0609 0.5 20
  119.0595 1.5 62
  120.0438 1 41
  131.0601 2.4 100
  132.0459 0.6 25
  132.0792 0.7 29
  142.0671 0.4 16
  143.0711 0.4 16
  144.0748 1 41
  147.0551 1.8 75
  149.0703 23.9 999
  158.0835 0.5 20
  159.0905 3.2 133
  169.0733 0.4 16
  187.0855 15.2 635
  215.0814 0.5 20
//