Dataset

Promecarb

This MassBank record with Accession MSBNK-Eawag-EQ01129805 contains the MS2 mass spectrum of Promecarb with the InChIkey DTAPQAJKAFRNJB-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C12H17NO2/c1-8(2)10-5-9(3)6-11(7-10)15-12(14)13-4/h5-8H,1-4H3,(H,13,14)
SMILES CC1=CC(=CC(=C1)OC(=O)NC)C(C)C
InChI Key DTAPQAJKAFRNJB-UHFFFAOYSA-N
Molecular Formula C12H17NO2
Exact Mass 207.126 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-EQ01129805
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T13:39:07.476678
MetadataModified 2025-02-09T09:53:37.054545
MetadataPublished 2023-04-27
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
15195666 PubChem: Thomson Pharma
17516 PubChem
SCHEMBL121314 SureChEMBL
2631-37-0 ACToR
1QRP20775S FDA SRS
510083 eMolecules
28332 Brenda
CHEMBL1076537 ChEMBL
C18956 KEGG Ligand
82096 ChEBI
J3.034A Nikkaji
ZINC000001667587 ZINC
DTXSID4037617 EPA CompTox Dashboard
CB7254095 ChemicalBook
The data in this table is sourced from UniChem at EBI.