Dataset

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

This MassBank record with Accession MSBNK-UoB-XB000100 contains the MS2 mass spectrum of Sunitinib with the InChIkey WINHZLLDWRZWRT-ATVHPVEESA-N.

Chemical Information

molecular Image
InChI InChI=1S/C22H27FN4O2/c1-5-27(6-2)10-9-24-22(29)20-13(3)19(25-14(20)4)12-17-16-11-15(23)7-8-18(16)26-21(17)28/h7-8,11-12,25H,5-6,9-10H2,1-4H3,(H,24,29)(H,26,28)/b17-12-
SMILES CCN(CC)CCNC(=O)C1=C(NC(=C1C)/C=C\2/C3=C(C=CC(=C3)F)NC2=O)C
InChI Key WINHZLLDWRZWRT-ATVHPVEESA-N
Molecular Formula C22H27FN4O2
Exact Mass 398.212 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-XB000100
Version
Author
Maintainer
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MetadataPublished 2022-11-08
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    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB01268 drugbank
    CHEBI:38940 chebi
    B49 rcsb_pdb
    CHEMBL535 chembl
    8081 surechembl
    5329102 pubchem
    V99T50803M fdasrs
    B49 pdbe
    PD003663 probes_and_drugs
    127384 brenda
    25420 brenda
    40342 brenda
    7646 brenda
    HMDB0015397 hmdb
    DTXSID1041134 comptox
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    Molport-006-167-758 molport
    4814 bindingdb
    The data in this table is sourced from UniChem at EBI.