ACCESSION: MSBNK-BAFG-CSL2311095837
RECORD_TITLE: Lenalidomide; LC-ESI-QTOF; MS2; 50 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$MASS_SPECTROMETRY: COLLISION_ENERGY 50
AC$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$SPLASH: splash10-0a4j-1900000000-fda7b14c6278f40a557d
PK$NUM_PEAK: 28
PK$PEAK: m/z int. rel.int.
  65.0436 0.5 33
  77.0427 1.3 86
  79.0573 0.8 52
  84.0453 1.7 112
  84.0657 0.4 26
  92.0495 2.1 138
  94.0672 0.6 39
  104.0493 2.8 185
  105.0635 0.9 59
  106.0654 15.1 999
  115.0523 0.7 46
  116.0482 0.5 33
  117.0689 0.7 46
  119.0602 2.7 178
  120.045 1.9 125
  131.059 4.5 297
  131.0881 0.4 26
  132.0746 2.1 138
  133.0505 0.7 46
  142.0653 0.9 59
  143.0709 0.7 46
  144.0791 1.5 99
  147.0545 3.4 224
  149.0701 9 595
  158.0813 0.7 46
  159.0909 3.8 251
  169.0759 1.1 72
  187.0858 7.5 496
//