Dataset

KU60648_BTP_M2; LC-ESI-FT; MS2; CE: 25,60,100%; R=17500; [M+H]+

This MassBank record with Accession MSBNK-UoB-XB000201 contains the MS2 mass spectrum of KU60648_BTP_M2 with the InChIkey GPSOIIUVPZLZJB-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C25H20N2O3S/c26-19-9-8-16(25-23(19)18-4-1-2-7-21(18)31-25)15-5-3-6-17-20(28)14-22(30-24(15)17)27-10-12-29-13-11-27/h1-9,14H,10-13,26H2
SMILES O=C1C=C(N2CCOCC2)OC3=C1C=CC=C3C4=C(SC5=CC=CC=C56)C6=C(N[H])C=C4
InChI Key GPSOIIUVPZLZJB-UHFFFAOYSA-N
Molecular Formula C25H20N2O3S
Exact Mass 428.120 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-XB000201
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MetadataPublished 2023-04-21
Related Molecule
  • 8-(1-aminodibenzothiophen-4-yl)-2-morpholin-4-ylchromen-4-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    25172268 PubChem
    57278180 PubChem: Thomson Pharma
    SCHEMBL1942262 SureChEMBL
    The data in this table is sourced from UniChem at EBI.