Dataset

Dasatinib

This MassBank record with Accession MSBNK-Eawag-EQ01069051 contains the MS2 mass spectrum of Dasatinib with the InChIkey ZBNZXTGUTAYRHI-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C22H26ClN7O2S/c1-14-4-3-5-16(23)20(14)28-21(32)17-13-24-22(33-17)27-18-12-19(26-15(2)25-18)30-8-6-29(7-9-30)10-11-31/h3-5,12-13,31H,6-11H2,1-2H3,(H,28,32)(H,24,25,26,27)
SMILES CC1=C(C(=CC=C1)Cl)NC(=O)C2=CN=C(S2)NC3=CC(=NC(=N3)C)N4CCN(CC4)CCO
InChI Key ZBNZXTGUTAYRHI-UHFFFAOYSA-N
Molecular Formula C22H26ClN7O2S
Exact Mass 487.156 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-EQ01069051
Version
Author
Maintainer
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MetadataCreated 2025-02-09T10:13:35.532350
MetadataModified 2025-02-09T10:13:35.702266
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.