Dataset

Resmethrin; LC-ESI-QFT; MS2; CE: 180%; R=17500; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EQ01130609 contains the MS2 mass spectrum of Resmethrin with the InChIkey VEMKTZHHVJILDY-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C22H26O3/c1-15(2)10-19-20(22(19,3)4)21(23)25-14-17-12-18(24-13-17)11-16-8-6-5-7-9-16/h5-10,12-13,19-20H,11,14H2,1-4H3
SMILES CC(=CC1C(C1(C)C)C(=O)OCC2=COC(=C2)CC3=CC=CC=C3)C
InChI Key VEMKTZHHVJILDY-UHFFFAOYSA-N
Molecular Formula C22H26O3
Exact Mass 338.188 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-EQ01130609
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MetadataPublished 2023-04-27
Related Molecule
  • (5-benzylfuran-3-yl)methyl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    5053 PubChem
    20208397 NMRShiftDB
    LSM-1846 LINCS
    SCHEMBL27565 SureChEMBL
    10453-86-8 ACToR
    PD014556 ProbesDrugs
    510191 eMolecules
    8811 ChEBI
    CHEMBL1879822 ChEMBL
    C10991 KEGG Ligand
    J3.119D Nikkaji
    HMDB0257162 Human Metabolome Database
    MCULE-6501647763 Mcule
    DTXSID7022253 EPA CompTox Dashboard
    CB9311222 ChemicalBook
    The data in this table is sourced from UniChem at EBI.