RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet IDRM0157263
RefMet nameMethyl tert-butyl ether
Systematic nametert-butyl methyl ether
SynonymsPubChem Synonyms
Exact mass88.088815 (neutral)
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View other RefMet entries with this exact (neutral) mass:   +/- 0.05 amu   +/- 0.1 amu   +/- 0.2 amu   +/- 0.5 amu
FormulaC5H12OView other entries in RefMet with this formula
Molecular descriptors
Molfile51401 (Download molfile/View MW Metabolite Database details)
InChIInChI=1S/C5H12O/c1-5(2,3)6-4/h1-4H3
InChIKeyBZLVMXJERCGZMT-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
SMILESCC(C)(C)OC
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Chemical/Biochemical Classification
Super ClassOrganic oxygen compounds
Main ClassOrganooxygen compounds
Sub ClassEthers
Distribution of Methyl tert-butyl ether in NMDR studies
SpeciesPlot Species distribution
Sample sourcePlot Sample source(tissue) distribution
StudiesNMDR Studies reporting Methyl tert-butyl ether
External Links
Pubchem CID15413
ChEBI ID27642
KEGG IDC11344
HMDB IDHMDB0061749
EPA CompToxDTXCID30833
Spectral data for Methyl tert-butyl ether standards
MassBank(EU)View MS spectra
Structural annotation level
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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