ACCESSION: MSBNK-BAFG-CSL2311095827
RECORD_TITLE: Lenalidomide; LC-ESI-QTOF; MS2; 60 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$MASS_SPECTROMETRY: COLLISION_ENERGY 60
AC$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$SPLASH: splash10-0a4i-2900000000-44890fbd0eb3845c85dc
PK$NUM_PEAK: 35
PK$PEAK: m/z int. rel.int.
  65.0434 0.6 54
  77.0413 2.7 243
  79.0568 1.5 135
  84.0472 0.7 62
  89.0422 0.6 54
  91.0565 0.5 45
  92.0509 4.6 414
  94.0658 0.8 72
  104.0495 6 540
  105.0575 0.5 45
  105.0705 0.4 36
  106.0647 11.1 999
  115.0544 1.8 162
  116.0495 0.9 81
  117.0591 1.4 125
  119.0604 3.7 333
  119.0777 0.9 81
  120.0444 1 90
  130.0642 0.5 45
  131.0602 5.9 531
  132.0425 0.5 45
  132.0668 0.6 54
  132.0784 0.6 54
  133.0537 0.5 45
  133.072 0.4 36
  142.063 0.9 81
  143.0739 0.8 72
  144.0798 0.8 72
  147.0541 2.4 216
  147.076 0.4 36
  149.0704 2.5 225
  158.0859 0.8 72
  159.0916 2.5 225
  169.0744 1 90
  187.0858 1 90
//