Dataset

Carbaryl; LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Athens_Univ-AU262401 contains the MS2 mass spectrum of Carbaryl with the InChIkey CVXBEEMKQHEXEN-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C12H11NO2/c1-13-12(14)15-11-8-4-6-9-5-2-3-7-10(9)11/h2-8H,1H3,(H,13,14)
SMILES CNC(=O)OC1=C2C=CC=CC2=CC=C1
InChI Key CVXBEEMKQHEXEN-UHFFFAOYSA-N
Molecular Formula C12H11NO2
Exact Mass 201.079 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-Athens_Univ-AU262401
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MetadataPublished 2019-05-30
Related Molecule
  • naphthalen-1-yl N-methylcarbamate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    50128572 BindingDB
    CARBARYL rxnorm
    DB15930 DrugBank
    HY-B1315 MedChemExpress
    HMDB0249612 Human Metabolome Database
    DTXSID9020247 EPA CompTox Dashboard
    3066 DrugCentral
    ZINC000000001090 ZINC
    J2.354J Nikkaji
    LSM-37123 LINCS
    CHEMBL46917 ChEMBL
    C07491 KEGG Ligand
    3390 ChEBI
    36931 Brenda
    46931 Brenda
    1966 Brenda
    76949 Brenda
    139515 Brenda
    CB9417021 ChemicalBook
    SCHEMBL26737 SureChEMBL
    20208857 NMRShiftDB
    MCULE-7779321694 Mcule
    6129 PubChem
    14892051 PubChem: Thomson Pharma
    11095-11-7 ACToR
    27636-33-5 ACToR
    3197-92-0 ACToR
    R890C8J3N1 FDA SRS
    PD001177 ProbesDrugs
    63-25-2 ACToR
    497088 eMolecules
    The data in this table is sourced from UniChem at EBI.