Dataset

KU60648_BTP_M15; LC-ESI-FT; MS2; CE: 25,60,100%; R=17500; [M+H]+

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

Chemical Information

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

Field Value
DOI
License URL https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-UoB-XB000207
Version
Author
Maintainer
Language
MetadataPublished 2023-04-21
Related Molecule
  • N-[4-[2-[bis(2-hydroxyethyl)amino]-4-oxochromen-8-yl]dibenzothiophen-1-yl]-2-piperazin-1-ylacetamide
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    168476562 PubChem
    The data in this table is sourced from UniChem at EBI.