Dataset

Carbosulfan; LC-ESI-QFT; MS2; CE: 120%; R=17500; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EQ01121407 contains the MS2 mass spectrum of Carbosulfan with the InChIkey JLQUFIHWVLZVTJ-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C20H32N2O3S/c1-6-8-13-22(14-9-7-2)26-21(5)19(23)24-17-12-10-11-16-15-20(3,4)25-18(16)17/h10-12H,6-9,13-15H2,1-5H3
SMILES CCCCN(CCCC)SN(C)C(=O)OC1=CC=CC2=C1OC(C2)(C)C
InChI Key JLQUFIHWVLZVTJ-UHFFFAOYSA-N
Molecular Formula C20H32N2O3S
Exact Mass 380.213 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ01121407
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MetadataPublished 2023-04-27
Related Molecule
  • (2,2-dimethyl-3H-1-benzofuran-7-yl) N-(dibutylamino)sulfanyl-N-methylcarbamate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:38476 chebi
    CHEMBL2228572 chembl
    29371387 surechembl
    73138 surechembl
    41384 pubchem
    V1DGN4AK6G fdasrs
    PD011979 probes_and_drugs
    23738 brenda
    HMDB0249647 hmdb
    The data in this table is sourced from UniChem at EBI.