Dataset

sunitinib_BTP_M8; LC-ESI-FT; MS2; CE: 25,60,100%; R=17500; [M+H]+

This MassBank record with Accession MSBNK-UoB-XB000106 contains the MS2 mass spectrum of sunitinib_BTP_M8 with the InChIkey YBNMTJYLJWAMGJ-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C22H28N4O3/c1-5-26(6-2)10-9-23-22(29)20-13(3)19(24-14(20)4)12-17-16-11-15(27)7-8-18(16)25-21(17)28/h7-8,11-12,24,27H,5-6,9-10H2,1-4H3,(H,23,29)(H,25,28)
SMILES CCN(CC)CCNC(=O)C1=C(NC(=C1C)C=C2C3=C(C=CC(=C3)O)NC2=O)C
InChI Key YBNMTJYLJWAMGJ-UHFFFAOYSA-N
Molecular Formula C22H28N4O3
Exact Mass 396.216 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-XB000106
Version
Author
Maintainer
Language
MetadataPublished 2023-04-20
Related Molecule
  • N-[2-(diethylamino)ethyl]-5-[(5-hydroxy-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
    78104160 PubChem
    The data in this table is sourced from UniChem at EBI.