Dataset

Imatinib

This MassBank record with Accession MSBNK-Eawag-EQ00363302 contains the MS2 mass spectrum of Imatinib with the InChIkey KTUFNOKKBVMGRW-UHFFFAOYSA-N.

Chemical Info

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

Field Value
DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ00363302
Version
Author
Maintainer
Language
MetadataCreated 2025-02-09T10:11:48.222578
MetadataModified 2025-02-09T10:11:48.409741
MetadataPublished 2024-06-14
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
No additional information available for this Dataset.