Dataset

sunitinib_BTP_M8

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

Chemical Info

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

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DOI
License URL https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-UoB-XB000106
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MetadataCreated 2024-01-11T22:09:29.302272
MetadataModified 2025-02-09T19:56:04.287574
MetadataPublished 2023-04-20
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