Dataset

2,6-Di-tert-butyl-1,4-benzoquinone; GC-APCI-QTOF; MS2; CE: 40 eV; R=35000; [M]+

This MassBank record with Accession MSBNK-Athens_Univ-AU504209 contains the MS2 mass spectrum of 2,6-Di-tert-butyl-1,4-benzoquinone with the InChIkey RDQSIADLBQFVMY-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C14H20O2/c1-13(2,3)10-7-9(15)8-11(12(10)16)14(4,5)6/h7-8H,1-6H3
SMILES CC(C)(C)C1=CC(=O)C=C(C1=O)C(C)(C)C
InChI Key RDQSIADLBQFVMY-UHFFFAOYSA-N
Molecular Formula C14H20O2
Exact Mass 220.146 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-AU504209
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MetadataPublished 2021-04-20
Related Molecule
  • 2,6-ditert-butylcyclohexa-2,5-diene-1,4-dione
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CB8247272 ChemicalBook
    69366 Brenda
    124027 Brenda
    HMDB0013817 Human Metabolome Database
    483378 eMolecules
    14969670 PubChem: Thomson Pharma
    2460-77-7 ACToR
    719-22-2 ACToR
    SCHEMBL853674 SureChEMBL
    ZINC000000132915 ZINC
    89187 ChEBI
    J65.911H Nikkaji
    CHEMBL3185121 ChEMBL
    TBUBZQ CCDC
    DTXSID7021493 EPA CompTox Dashboard
    MCULE-5214801115 Mcule
    12867 PubChem
    4C9D8L0Y0T FDA SRS
    10015935 NMRShiftDB
    The data in this table is sourced from UniChem at EBI.