Dataset

sunitinib_BTP_M13

This MassBank record with Accession MSBNK-UoB-XB000110 contains the MS2 mass spectrum of sunitinib_BTP_M13 with the InChIkey OLBSUIITKHHXBA-GDNBJRDFSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C28H35FN4O9/c1-5-33(6-2)8-7-30-26(37)20-12(3)17(31-13(20)4)10-15-14-9-16(29)19(11-18(14)32-25(15)36)41-23-21(34)24(27(38)39)42-28(40)22(23)35/h9-11,21-24,28,31,34-35,40H,5-8H2,1-4H3,(H,30,37)(H,32,36)(H,38,39)/b15-10-
SMILES O=C1NC(C=C(OC(C(C(OC2O)C(O)=O)O)C2O)C(F)=C3)=C3/C1=C/C4=C(C)C(C(NCCN(CC)CC)=O)=C(C)N4
InChI Key OLBSUIITKHHXBA-GDNBJRDFSA-N
Molecular Formula C28H35FN4O9
Exact Mass 590.239 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-XB000110
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:09:36.268546
MetadataModified 2025-02-09T19:56:12.168647
MetadataPublished 2023-04-20
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
168476560 PubChem
The data in this table is sourced from UniChem at EBI.