Dataset

sunitinib_BTP_M2; LC-ESI-FT; MS2; CE: 25,60,100%; R=17500; [M+H]+

This MassBank record with Accession MSBNK-UoB-XB000108 contains the MS2 mass spectrum of sunitinib_BTP_M2 with the InChIkey DNCVCKYIYMUMFC-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C22H27FN4O3/c1-5-27(30,6-2)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)
SMILES CC[N+](CC)(CCNC(=O)C1=C(NC(=C1C)C=C2C3=C(C=CC(=C3)F)NC2=O)C)[O-]
InChI Key DNCVCKYIYMUMFC-UHFFFAOYSA-N
Molecular Formula C22H27FN4O3
Exact Mass 414.207 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-XB000108
Version
Author
Maintainer
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MetadataPublished 2023-04-20
Related Molecule
  • N,N-diethyl-2-[[5-[(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]amino]ethanamine oxide
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    91064940 PubChem
    The data in this table is sourced from UniChem at EBI.