Dataset

Isoprocarb; LC-ESI-QFT; MS2; CE: 15%; R=17500; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EQ01127601 contains the MS2 mass spectrum of Isoprocarb with the InChIkey QBSJMKIUCUGGNG-UHFFFAOYSA-N.

Chemical Information

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-EQ01127601
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Maintainer
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MetadataPublished 2023-04-27
Related Molecule
  • (2-propan-2-ylphenyl) N-methylcarbamate
    • 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.