Dataset

KU60648; LC-ESI-FT; MS2; CE: 25,60,100%; R=17500; [M+H]+

This MassBank record with Accession MSBNK-UoB-XB000200 contains the MS2 mass spectrum of KU60648 with the InChIkey AATCBLYHOUOCTO-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C33H34N4O4S/c1-2-35-12-14-36(15-13-35)21-29(39)34-26-11-10-23(33-31(26)25-6-3-4-9-28(25)42-33)22-7-5-8-24-27(38)20-30(41-32(22)24)37-16-18-40-19-17-37/h3-11,20H,2,12-19,21H2,1H3,(H,34,39)
SMILES CCN1CCN(CC1)CC(Nc(ccc2c(ccc3)c4c3c(=O)cc(N5CCOCC5)o4)c6c2sc7c6cccc7)=O
InChI Key AATCBLYHOUOCTO-UHFFFAOYSA-N
Molecular Formula C33H34N4O4S
Exact Mass 582.230 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-XB000200
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MetadataPublished 2022-11-08
Related Molecule
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    Measurement Technique liquid chromatography-mass spectrometry
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    SCHEMBL4111679 SureChEMBL
    8011 Guide to Pharmacology
    LM6DZS6PYA FDA SRS
    94302 ChEBI
    50319926 BindingDB
    CB12667538 ChemicalBook
    HY-13431 MedChemExpress
    J3.351.611H Nikkaji
    CHEMBL1086377 ChEMBL
    The data in this table is sourced from UniChem at EBI.