Dataset

2-HEXANOL

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP005675 contains the MS mass spectrum of 2-HEXANOL with the InChIkey QNVRIHYSUZMSGM-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C6H14O/c1-3-4-5-6(2)7/h6-7H,3-5H2,1-2H3
SMILES	CCCCC(C)O
InChI Key	QNVRIHYSUZMSGM-UHFFFAOYSA-N
Molecular Formula	C6H14O
Exact Mass	102.104 g/mol

Data and Resources

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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-JP005675
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T15:57:11.095365
MetadataModified	2024-01-11T15:57:11.280600
MetadataPublished	2016-01-19

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
CHEMBL45425	ChEMBL
480317	eMolecules
12297	PubChem
MTBLC88370	Metabolights
626-93-7	ACToR
37769-60-1	ACToR
15297002	PubChem: Thomson Pharma
52019-78-0	ACToR
69203-06-1	ACToR
20281-86-1	ACToR
26549-24-6	ACToR
10016635	NMRShiftDB
SCHEMBL15074	SureChEMBL
GUSFOP	CCDC
J1.693D	Nikkaji
16676	Brenda
HMDB0061886	Human Metabolome Database
5471	Brenda
DTXSID30893088	EPA CompTox Dashboard
172764	Brenda
CB4206422	ChemicalBook
LMFA05000467	LipidMaps
9CDT0V6T4P	FDA SRS
MCULE-6558228722	Mcule
88370	Rhea
88370	ChEBI
The data in this table is sourced from UniChem at EBI.