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

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

2,6-DI-TERT-BUTYL-4-METHYLPHENOLHTML
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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.