Dataset

KU60648_BTP_M9; LC-ESI-FT; MS2; CE: 25,60,100%; R=17500; [M+H]+

This MassBank record with Accession MSBNK-UoB-XB000211 contains the MS2 mass spectrum of KU60648_BTP_M9 with the InChIkey IMMQDEUBEIBIPA-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C33H36N4O5S/c1-2-35-12-14-36(15-13-35)21-29(41)34-26-11-10-23(33-31(26)25-6-3-4-9-28(25)43-33)22-7-5-8-24-27(40)20-30(42-32(22)24)37(16-18-38)17-19-39/h3-11,20,38-39H,2,12-19,21H2,1H3,(H,34,41)
SMILES OCCN(CCO)C1=CC(C2=C(O1)C(C3=C(SC4=CC=CC=C45)C5=C(N(C(CN6CCN(CC)CC6)=O)[H])C=C3)=CC=C2)=O
InChI Key IMMQDEUBEIBIPA-UHFFFAOYSA-N
Molecular Formula C33H36N4O5S
Exact Mass 600.241 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-XB000211
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MetadataPublished 2023-04-21
Related Molecule
  • N-[4-[2-[bis(2-hydroxyethyl)amino]-4-oxochromen-8-yl]dibenzothiophen-1-yl]-2-(4-ethylpiperazin-1-yl)acetamide
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    168476563 PubChem
    The data in this table is sourced from UniChem at EBI.