Dataset

Mecarbam

This MassBank record with Accession MSBNK-Eawag-EQ01138105 contains the MS2 mass spectrum of Mecarbam with the InChIkey KLGMSAOQDHLCOS-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C10H20NO5PS2/c1-5-14-10(13)11(4)9(12)8-19-17(18,15-6-2)16-7-3/h5-8H2,1-4H3
SMILES CCOC(=O)N(C)C(=O)CSP(=S)(OCC)OCC
InChI Key KLGMSAOQDHLCOS-UHFFFAOYSA-N
Molecular Formula C10H20NO5PS2
Exact Mass 329.052 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-EQ01138105
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T14:20:59.831780
MetadataModified 2025-02-09T09:54:17.405458
MetadataPublished 2023-04-27
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
HMDB0031800 Human Metabolome Database
SCHEMBL117570 SureChEMBL
501224 eMolecules
38718 ChEBI
16829413 PubChem: Thomson Pharma
2595-54-2 ACToR
U6N6869C7Z FDA SRS
C18661 KEGG Ligand
CHEMBL1417951 ChEMBL
DTXSID0042117 EPA CompTox Dashboard
ZINC000002036016 ZINC
J3.032E Nikkaji
17434 PubChem
The data in this table is sourced from UniChem at EBI.