Dataset

2-METHYL-2-BUTANETHIOL

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP009156 contains the MS mass spectrum of 2-METHYL-2-BUTANETHIOL with the InChIkey IQIBYAHJXQVQGB-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C5H12S/c1-4-5(2,3)6/h6H,4H2,1-3H3
SMILES CCC(C)(C)S
InChI Key IQIBYAHJXQVQGB-UHFFFAOYSA-N
Molecular Formula C5H12S
Exact Mass 104.066 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-JP009156
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T15:55:58.977929
MetadataModified 2024-01-11T15:55:59.138942
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
1679-09-0 ACToR
16901548 PubChem: Thomson Pharma
6195350 eMolecules
ZINC000004706562 ZINC
DTXSID5061877 EPA CompTox Dashboard
CB1731950 ChemicalBook
26IU670827 FDA SRS
SCHEMBL24480 SureChEMBL
J43.548A Nikkaji
15511 PubChem
20200282 NMRShiftDB
The data in this table is sourced from UniChem at EBI.