Dataset

2,5-HEXANEDIONE

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP007683 contains the MS mass spectrum of 2,5-HEXANEDIONE with the InChIkey OJVAMHKKJGICOG-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C6H10O2/c1-5(7)3-4-6(2)8/h3-4H2,1-2H3
SMILES	CC(=O)CCC(C)=O
InChI Key	OJVAMHKKJGICOG-UHFFFAOYSA-N
Molecular Formula	C6H10O2
Exact Mass	114.068 g/mol

Data and Resources

2,5-HEXANEDIONEHTML
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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-JP007683
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T15:57:52.640865
MetadataModified	2024-01-11T15:57:52.830366
MetadataPublished	2016-01-19

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
474559	eMolecules
CHEMBL1564795	ChEMBL
CB2455570	ChemicalBook
MTBLC85014	Metabolights
11093	Brenda
218144	Brenda
93618	Brenda
73981	BindingDB
ZINC000001683671	ZINC
DTXSID8030138	EPA CompTox Dashboard
LMFA12000081	LipidMaps
85014	ChEBI
J5.518B	Nikkaji
HMDB0245506	Human Metabolome Database
LUZZIR	CCDC
MCULE-3166810473	Mcule
SCHEMBL10001	SureChEMBL
10008829	NMRShiftDB
15218824	PubChem: Thomson Pharma
110-13-4	ACToR
8035	PubChem
C0Z8884J3P	FDA SRS
The data in this table is sourced from UniChem at EBI.