Dataset

sunitinib_BTP_M4; LC-ESI-FT; MS2; CE: 25,60,100%; R=17500; [M+H]+

This MassBank record with Accession MSBNK-UoB-XB000101 contains the MS2 mass spectrum of sunitinib_BTP_M4 with the InChIkey QUJFMDVNASGNAN-ZSOIEALJSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C20H23FN4O3/c1-4-22-9-17(26)25-20(28)18-10(2)16(23-11(18)3)8-14-13-7-12(21)5-6-15(13)24-19(14)27/h5-8,17,22-23,26H,4,9H2,1-3H3,(H,24,27)(H,25,28)/b14-8-
SMILES CCNCC(O)NC(C1=C(NC(/C=C2C3=C(C=CC(F)=C3)NC/2=O)=C1C)C)=O
InChI Key QUJFMDVNASGNAN-ZSOIEALJSA-N
Molecular Formula C20H23FN4O3
Exact Mass 386.175 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-UoB-XB000101
Version
Author
Maintainer
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MetadataPublished 2023-04-20
Related Molecule
  • N-[2-(ethylamino)-1-hydroxyethyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL3542273 ChEMBL
    118753424 PubChem
    The data in this table is sourced from UniChem at EBI.