Dataset

P-TERT-BUTYLPHENYL METHYL ETHER; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP009166 contains the MS mass spectrum of P-TERT-BUTYLPHENYL METHYL ETHER with the InChIkey MCUPBIBNSTXCPQ-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C11H16O/c1-11(2,3)9-5-7-10(12-4)8-6-9/h5-8H,1-4H3
SMILES COc(c1)ccc(c1)C(C)(C)C
InChI Key MCUPBIBNSTXCPQ-UHFFFAOYSA-N
Molecular Formula C11H16O
Exact Mass 164.120 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Fac_Eng_Univ_Tokyo-JP009166
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
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    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    522089 eMolecules
    ZINC000001591825 ZINC
    CB0133403 ChemicalBook
    TS0X8A7M5Y FDA SRS
    SCHEMBL78643 SureChEMBL
    5396-38-3 ACToR
    94750 PubChem
    15934908 PubChem: Thomson Pharma
    MCULE-3593517942 Mcule
    J101.503F Nikkaji
    DTXSID3063833 EPA CompTox Dashboard
    10022764 NMRShiftDB
    The data in this table is sourced from UniChem at EBI.