Dataset

2,3-DIMETHYLBUTANE

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP012134 contains the MS mass spectrum of 2,3-DIMETHYLBUTANE with the InChIkey ZFFMLCVRJBZUDZ-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C6H14/c1-5(2)6(3)4/h5-6H,1-4H3
SMILES CC(C)C(C)C
InChI Key ZFFMLCVRJBZUDZ-UHFFFAOYSA-N
Molecular Formula C6H14
Exact Mass 86.110 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-JP012134
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T15:25:54.041328
MetadataModified 2025-02-09T12:49:45.092885
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
6589 PubChem
68ISQ7A432 FDA SRS
79-29-8 ACToR
15041204 PubChem: Thomson Pharma
504414 eMolecules
10016358 NMRShiftDB
SCHEMBL23671 SureChEMBL
141560 ChEBI
CB6122117 ChemicalBook
CHEMBL1344453 ChEMBL
221539 Brenda
J4.230G Nikkaji
QQQFOG CCDC
ZINC000001615316 ZINC
HMDB0245401 Human Metabolome Database
MCULE-7887644548 Mcule
DTXSID9025112 EPA CompTox Dashboard
The data in this table is sourced from UniChem at EBI.