Dataset

Isoprocarb

This MassBank record with Accession MSBNK-Eawag-EQ01127608 contains the MS2 mass spectrum of Isoprocarb with the InChIkey QBSJMKIUCUGGNG-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C11H15NO2/c1-8(2)9-6-4-5-7-10(9)14-11(13)12-3/h4-8H,1-3H3,(H,12,13)
SMILES CC(C)C1=CC=CC=C1OC(=O)NC
InChI Key QBSJMKIUCUGGNG-UHFFFAOYSA-N
Molecular Formula C11H15NO2
Exact Mass 193.110 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-EQ01127608
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T13:27:08.923979
MetadataModified 2025-02-09T10:33:50.006841
MetadataPublished 2023-04-27
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
ZINC000000400176 ZINC
28336 Brenda
CB9380741 ChemicalBook
17517 PubChem
CHEMBL2251586 ChEMBL
20209725 NMRShiftDB
MCULE-1528987083 Mcule
SCHEMBL64155 SureChEMBL
14797374 PubChem: Thomson Pharma
714I55QH9K FDA SRS
2631-40-5 ACToR
509971 eMolecules
HMDB0031797 Human Metabolome Database
J3.712E Nikkaji
HY-B0830 MedChemExpress
DTXSID6042072 EPA CompTox Dashboard
C18418 KEGG Ligand
38505 ChEBI
The data in this table is sourced from UniChem at EBI.