Dataset

2,3-DIMETHYLBUTANE

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP006021 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-JP006021
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T15:56:29.623452
MetadataModified 2024-01-11T15:56:29.798923
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
CHEMBL1344453 ChEMBL
504414 eMolecules
68ISQ7A432 FDA SRS
6589 PubChem
15041204 PubChem: Thomson Pharma
79-29-8 ACToR
J4.230G Nikkaji
HMDB0245401 Human Metabolome Database
SCHEMBL23671 SureChEMBL
10016358 NMRShiftDB
QQQFOG CCDC
ZINC000001615316 ZINC
DTXSID9025112 EPA CompTox Dashboard
MCULE-7887644548 Mcule
221539 Brenda
CB6122117 ChemicalBook
141560 ChEBI
The data in this table is sourced from UniChem at EBI.