Dataset

sunitinib_BTP_M13; LC-ESI-FT; MS2; CE: 25,60,100%; R=17500; [M+H]+

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

Chemical Information

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
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MetadataPublished 2023-04-20
Related Molecule
  • 4-[[(3Z)-3-[[4-[2-(diethylamino)ethylcarbamoyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-5-fluoro-2-oxo-1H-indol-6-yl]oxy]-3,5,6-trihydroxyoxane-2-carboxylic acid
    • 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.