Dataset

1,6-HEXANEDIOL; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP009720 contains the MS mass spectrum of 1,6-HEXANEDIOL with the InChIkey XXMIOPMDWAUFGU-UHFFFAOYSA-N.

Chemical Information

molecular Image

InChI	InChI=1S/C6H14O2/c7-5-3-1-2-4-6-8/h7-8H,1-6H2
SMILES	OCCCCCCO
InChI Key	XXMIOPMDWAUFGU-UHFFFAOYSA-N
Molecular Formula	C6H14O2
Exact Mass	118.099 g/mol

Data and Resources

1,6-HEXANEDIOLHTML

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Related Molecule ⌄

hexane-1,6-diol

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-JP009720
Version
Author
Maintainer
Language
MetadataPublished	2016-01-19
Related Molecule	hexane-1,6-diol

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
DB02210	drugbank
CHEBI:43078	chebi
HEZ	rcsb_pdb
CHEMBL458616	chembl
15343	surechembl
12374	pubchem
PD008131	probes_and_drugs
FECCOF	CCDC
29252	brenda
49110	brenda
ZIA319275I	fdasrs
Molport-001-012-388	molport
The data in this table is sourced from UniChem at EBI.