Dataset

SAR 150640; LC-ESI-QFT; MS2; CE: 75; R=17500; [M-H]-

This MassBank record with Accession MSBNK-LCSB-LU099355 contains the MS2 mass spectrum of SAR 150640 with the InChIkey WCPJDRQPTLGHOD-JBACZVJFSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C25H34N2O7S/c1-3-33-25(30)19-6-4-17(5-7-19)18-8-10-20(11-9-18)26-15-21(28)16-34-22-12-13-24(29)23(14-22)27-35(2,31)32/h4-7,12-14,18,20-21,26-29H,3,8-11,15-16H2,1-2H3/t18-,20-,21-/m0/s1
SMILES CCOC(=O)c1ccc([C@H]2CC[C@H](NC[C@H](O)COc3ccc(O)c(NS(C)(=O)=O)c3)CC2)cc1
InChI Key WCPJDRQPTLGHOD-JBACZVJFSA-N
Molecular Formula C25H34N2O7S
Exact Mass 506.209 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-LCSB-LU099355
Version
Author
Maintainer
Language
MetadataPublished 2020-08-19
Related Molecule
  • nfdi4chem-mol42781(Unknown Molecule)
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL3303799 chembl
    5264326 surechembl
    4156EGA4J7 fdasrs
    PD161778 probes_and_drugs
    The data in this table is sourced from UniChem at EBI.