Dataset

sunitinib_BTP_M11; LC-ESI-FT; MS2; CE: 25,60,100%; R=17500; [M+H]+

This MassBank record with Accession MSBNK-UoB-XB000103 contains the MS2 mass spectrum of sunitinib_BTP_M11 with the InChIkey PCPTUYGTADXVFI-SDQBBNPISA-N.

Chemical Information

molecular Image
InChI InChI=1S/C18H16FN3O4/c1-8-14(21-9(2)16(8)18(26)20-7-15(23)24)6-12-11-5-10(19)3-4-13(11)22-17(12)25/h3-6,21H,7H2,1-2H3,(H,20,26)(H,22,25)(H,23,24)/b12-6-
SMILES OC(CNC(C1=C(C)NC(/C=C2C3=C(NC/2=O)C=CC(F)=C3)=C1C)=O)=O
InChI Key PCPTUYGTADXVFI-SDQBBNPISA-N
Molecular Formula C18H16FN3O4
Exact Mass 357.113 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-XB000103
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Maintainer
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MetadataPublished 2023-04-20
Related Molecule
  • 2-[[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]amino]acetic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    SCHEMBL2116966 SureChEMBL
    CHEMBL3542232 ChEMBL
    ZINC000118074649 ZINC
    59069527 PubChem
    The data in this table is sourced from UniChem at EBI.