Dataset

Carbendazim; LC-ESI-ITFT; MS2; CE: 35; R=15000; [M+H]+

This MassBank record with Accession MSBNK-UFZ-UF405003 contains the MS2 mass spectrum of Carbendazim with the InChIkey TWFZGCMQGLPBSX-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13)
SMILES COC(=O)NC1=NC2=CC=CC=C2N1
InChI Key TWFZGCMQGLPBSX-UHFFFAOYSA-N
Molecular Formula C9H9N3O2
Exact Mass 191.070 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-UFZ-UF405003
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Maintainer
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MetadataPublished 2017-01-05
Related Molecule
  • methyl N-(1H-benzimidazol-2-yl)carbamate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    H75J14AA89 FDA SRS
    3392 ChEBI
    PD058629 ProbesDrugs
    60059466 NMRShiftDB
    15219846 PubChem: Thomson Pharma
    SCHEMBL21051 SureChEMBL
    37953-07-4 ACToR
    102040-01-7 ACToR
    502836 eMolecules
    CB82492371 ChemicalBook
    CB5416930 ChemicalBook
    MTBLC3392 Metabolights
    DB13009 DrugBank
    HMDB0031769 Human Metabolome Database
    SCHEMBL19926051 SureChEMBL
    25429 PubChem
    MCULE-6012353785 Mcule
    CHEMBL70971 ChEMBL
    C10897 KEGG Ligand
    CARBENDAZIM clinicaltrials
    FB-642 clinicaltrials
    BAVISTIN clinicaltrials
    HY-13582 MedChemExpress
    DTXSID4024729 EPA CompTox Dashboard
    ZINC000000043475 ZINC
    J3.120H Nikkaji
    252983 Brenda
    SEDZUW CCDC
    50116313 BindingDB
    The data in this table is sourced from UniChem at EBI.