Dataset

Pirimicarb; LC-ESI-ITFT; MS2; CE: 30%; R=15000; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EA271109 contains the MS2 mass spectrum of Pirimicarb with the InChIkey YFGYUFNIOHWBOB-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C11H18N4O2/c1-7-8(2)12-10(14(3)4)13-9(7)17-11(16)15(5)6/h1-6H3
SMILES n(c(c(C)c1OC(=O)N(C)C)C)c(n1)N(C)C
InChI Key YFGYUFNIOHWBOB-UHFFFAOYSA-N
Molecular Formula C11H18N4O2
Exact Mass 238.143 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-Eawag-EA271109
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Maintainer
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MetadataPublished 2014-01-14
Related Molecule
  • [2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl] N,N-dimethylcarbamate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    14823106 PubChem: Thomson Pharma
    31645 PubChem
    23103-98-2 ACToR
    1I93PS935T FDA SRS
    510072 eMolecules
    28339 Brenda
    ZINC000000900772 ZINC
    53880 Brenda
    SCHEMBL26523 SureChEMBL
    20208685 NMRShiftDB
    HY-119419 MedChemExpress
    DUSWIY CCDC
    HMDB0256598 Human Metabolome Database
    J1.871F Nikkaji
    DTXSID1032569 EPA CompTox Dashboard
    CB8481649 ChemicalBook
    8248 ChEBI
    CHEMBL1870931 ChEMBL
    C11079 KEGG Ligand
    The data in this table is sourced from UniChem at EBI.