Dataset

2,6-DI-TERT-BUTYL-4-METHYLPHENOL

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP000912 contains the MS mass spectrum of 2,6-DI-TERT-BUTYL-4-METHYLPHENOL with the InChIkey NLZUEZXRPGMBCV-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C15H24O/c1-10-8-11(14(2,3)4)13(16)12(9-10)15(5,6)7/h8-9,16H,1-7H3
SMILES Cc(c1)cc(C(C)(C)C)c(O)c1C(C)(C)C
InChI Key NLZUEZXRPGMBCV-UHFFFAOYSA-N
Molecular Formula C15H24O
Exact Mass 220.183 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-JP000912
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T15:56:04.975854
MetadataModified 2024-01-11T15:56:05.133043
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
CHEMBL146 ChEMBL
34247 ChEBI
475654 eMolecules
14749112 PubChem: Thomson Pharma
3IM PDBe
256890 Brenda
PD000451 ProbesDrugs
DB16863 DrugBank
LSM-19020 LINCS
128-37-0 ACToR
950-56-1 ACToR
25377-21-3 ACToR
102962-45-8 ACToR
1P9D0Z171K FDA SRS
MCULE-4627478482 Mcule
31404 PubChem
10008752 NMRShiftDB
J2.939D Nikkaji
MBPHOL CCDC
SCHEMBL3950 SureChEMBL
HMDB0033826 Human Metabolome Database
C14693 KEGG Ligand
butylated hydroxytoluene DailyMed
29829 Brenda
CB8355755 ChemicalBook
108003 Brenda
BUTYLATED HYDROXYTOLUENE rxnorm
ZINC000001481993 ZINC
DTXSID2020216 EPA CompTox Dashboard
HY-Y0172 MedChemExpress
E-321 clinicaltrials
BUTYLATED HYDROXYTOLUENE clinicaltrials
BUTYLATED HYDROXYTOLUENE DailyMed
50079507 BindingDB
The data in this table is sourced from UniChem at EBI.