Dataset

Triglycidyl isocyanurate; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EQ01107704 contains the MS2 mass spectrum of Triglycidyl isocyanurate with the InChIkey OUPZKGBUJRBPGC-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C12H15N3O6/c16-10-13(1-7-4-19-7)11(17)15(3-9-6-21-9)12(18)14(10)2-8-5-20-8/h7-9H,1-6H2
SMILES O=C1N(CC2CO2)C(=O)N(CC2CO2)C(=O)N1CC1CO1
InChI Key OUPZKGBUJRBPGC-UHFFFAOYSA-N
Molecular Formula C12H15N3O6
Exact Mass 297.096 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-EQ01107704
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MetadataPublished 2024-06-14
Related Molecule
  • 1,3,5-tris(oxiran-2-ylmethyl)-1,3,5-triazinane-2,4,6-trione
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    TEROXIRONE clinicaltrials
    NSC-296934 clinicaltrials
    HY-W011434 MedChemExpress
    HMDB0258835 Human Metabolome Database
    DTXSID4026262 EPA CompTox Dashboard
    J22.973C Nikkaji
    CIVCAP CCDC
    442751 BindingDB
    CHEMBL453863 ChEMBL
    PD062092 ProbesDrugs
    2451-62-9 ACToR
    14849416 PubChem: Thomson Pharma
    SCHEMBL4932 SureChEMBL
    28825-96-9 ACToR
    502952 eMolecules
    CB8322836 ChemicalBook
    LSM-45799 LINCS
    17142 PubChem
    MCULE-5172595440 Mcule
    The data in this table is sourced from UniChem at EBI.