Dataset

KU60648_BTP_M15

This MassBank record with Accession MSBNK-UoB-XB000207 contains the MS2 mass spectrum of KU60648_BTP_M15 with the InChIkey QJYRVNWHFQHZKI-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C31H32N4O5S/c36-16-14-35(15-17-37)28-18-25(38)22-6-3-5-20(30(22)40-28)21-8-9-24(33-27(39)19-34-12-10-32-11-13-34)29-23-4-1-2-7-26(23)41-31(21)29/h1-9,18,32,36-37H,10-17,19H2,(H,33,39)
SMILES OCCN(C1=CC(C2=C(C(C3=C4SC5=CC=CC=C5C4=C(C=C3)N([H])C(CN6CCNCC6)=O)=CC=C2)O1)=O)CCO
InChI Key QJYRVNWHFQHZKI-UHFFFAOYSA-N
Molecular Formula C31H32N4O5S
Exact Mass 572.209 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-XB000207
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MetadataCreated 2024-01-11T22:09:28.792841
MetadataModified 2025-02-09T19:56:12.798190
MetadataPublished 2023-04-21
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