Dataset

TERT-BUTYL ACETATE

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP005830 contains the MS mass spectrum of TERT-BUTYL ACETATE with the InChIkey WMOVHXAZOJBABW-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C6H12O2/c1-5(7)8-6(2,3)4/h1-4H3
SMILES CC(=O)OC(C)(C)C
InChI Key WMOVHXAZOJBABW-UHFFFAOYSA-N
Molecular Formula C6H12O2
Exact Mass 116.084 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-JP005830
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T15:57:30.328172
MetadataModified 2024-01-11T15:57:30.488407
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
195888 Brenda
DTXSID1022055 EPA CompTox Dashboard
CB2853774 ChemicalBook
140710 Brenda
ZINC000000388665 ZINC
MCULE-4713236745 Mcule
J3.290E Nikkaji
234597 Brenda
CHEMBL3186747 ChEMBL
BUCYUU CCDC
HMDB0258840 Human Metabolome Database
10016817 NMRShiftDB
10908 PubChem
SCHEMBL26684 SureChEMBL
15194380 PubChem: Thomson Pharma
540-88-5 ACToR
76N22HKP3X FDA SRS
478301 eMolecules
The data in this table is sourced from UniChem at EBI.