Dataset

sunitinib_BTP_M1; LC-ESI-FT; MS2; CE: 25,60,100%; R=17500; [M+H]+

This MassBank record with Accession MSBNK-UoB-XB000104 contains the MS2 mass spectrum of sunitinib_BTP_M1 with the InChIkey LIZNIAKSBJKPQC-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C20H23FN4O2/c1-4-22-7-8-23-20(27)18-11(2)17(24-12(18)3)10-15-14-9-13(21)5-6-16(14)25-19(15)26/h5-6,9-10,22,24H,4,7-8H2,1-3H3,(H,23,27)(H,25,26)
SMILES CCNCCNC(=O)C1=C(NC(=C1C)C=C2C3=C(C=CC(=C3)F)NC2=O)C
InChI Key LIZNIAKSBJKPQC-UHFFFAOYSA-N
Molecular Formula C20H23FN4O2
Exact Mass 370.180 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-XB000104
Version
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Maintainer
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MetadataPublished 2023-04-20
Related Molecule
  • N-[2-(ethylamino)ethyl]-5-[(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
    CHEMBL3542398 ChEMBL
    HMDB0255114 Human Metabolome Database
    PD118691 ProbesDrugs
    67984615 PubChem
    The data in this table is sourced from UniChem at EBI.