Dataset

2-METHYL-2-PROPANOL

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP001854 contains the MS mass spectrum of 2-METHYL-2-PROPANOL with the InChIkey DKGAVHZHDRPRBM-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3
SMILES	CC(C)(C)O
InChI Key	DKGAVHZHDRPRBM-UHFFFAOYSA-N
Molecular Formula	C4H10O
Exact Mass	74.073 g/mol

Data and Resources

2-METHYL-2-PROPANOLHTML
Explore
- More information
- Go to resource

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-JP001854
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T15:55:31.081322
MetadataModified	2024-01-11T15:55:31.256288
MetadataPublished	2016-01-19

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
CHEMBL16502	ChEMBL
TBU	PDBe
DB03900	DrugBank
487286	eMolecules
MCULE-2451492095	Mcule
VATSAK	CCDC
45895	ChEBI
J1.459A	Nikkaji
SCHEMBL282	SureChEMBL
8112	NMRShiftDB
6386	PubChem
PD006670	ProbesDrugs
15146291	PubChem: Thomson Pharma
75-65-0	ACToR
MD83SFE959	FDA SRS
2231	Brenda
109638	Brenda
21897	Brenda
35077	Brenda
MTBLC45895	Metabolights
91116	Brenda
CB5206388	ChemicalBook
45895	Rhea
HMDB0031456	Human Metabolome Database
174398	Brenda
16430	Brenda
10488	Brenda
DTXSID8020204	EPA CompTox Dashboard
ZINC000001680021	ZINC
TERT-BUTYL ALCOHOL	rxnorm
The data in this table is sourced from UniChem at EBI.