Dataset

sunitinib_BTP_M11

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

Chemical Info

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
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:09:21.524136
MetadataModified 2025-02-09T19:56:19.206075
MetadataPublished 2023-04-20
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.