Dataset

Imatinib; LC-ESI-QTOF; MS2; 80 V

This MassBank record with Accession MSBNK-BAFG-CSL2311109059 contains the MS2 mass spectrum of Imatinib with the InChIkey KTUFNOKKBVMGRW-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C29H31N7O/c1-21-5-10-25(18-27(21)34-29-31-13-11-26(33-29)24-4-3-12-30-19-24)32-28(37)23-8-6-22(7-9-23)20-36-16-14-35(2)15-17-36/h3-13,18-19H,14-17,20H2,1-2H3,(H,32,37)(H,31,33,34)
SMILES CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC=CC(=N4)C5=CN=CC=C5
InChI Key KTUFNOKKBVMGRW-UHFFFAOYSA-N
Molecular Formula C29H31N7O
Exact Mass 493.259 g/mol

Data and Resources

Metadata Information

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Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BAFG-CSL2311109059
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MetadataPublished 2023-11-10
Related Molecule
  • 4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    No additional information available for this Dataset.