Dataset

Resmethrin

This MassBank record with Accession MSBNK-Eawag-EQ01130605 contains the MS2 mass spectrum of Resmethrin with the InChIkey VEMKTZHHVJILDY-UHFFFAOYSA-N.

Chemical Info

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-EQ01130605
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T14:37:30.349837
MetadataModified 2025-02-09T09:53:42.209095
MetadataPublished 2023-04-27
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.