Dataset

3-METHOXY-3-METHYLBUTANOL

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP008081 contains the MS mass spectrum of 3-METHOXY-3-METHYLBUTANOL with the InChIkey MFKRHJVUCZRDTF-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C6H14O2/c1-6(2,8-3)4-5-7/h7H,4-5H2,1-3H3
SMILES OCCC(C)(C)OC
InChI Key MFKRHJVUCZRDTF-UHFFFAOYSA-N
Molecular Formula C6H14O2
Exact Mass 118.099 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-JP008081
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T15:55:10.650317
MetadataModified 2024-01-11T15:55:10.808139
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
56539-66-3 ACToR
62118 PubChem
504663 eMolecules
15297116 PubChem: Thomson Pharma
366754K2K1 FDA SRS
ZINC000000391183 ZINC
DTXSID8044389 EPA CompTox Dashboard
CB9125896 ChemicalBook
J38.165I Nikkaji
20200727 NMRShiftDB
SCHEMBL64765 SureChEMBL
CHEMBL3188023 ChEMBL
The data in this table is sourced from UniChem at EBI.