Dataset

1,10-DECANEDIOL

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP007315 contains the MS mass spectrum of 1,10-DECANEDIOL with the InChIkey FOTKYAAJKYLFFN-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C10H22O2/c11-9-7-5-3-1-2-4-6-8-10-12/h11-12H,1-10H2
SMILES OCCCCCCCCCCO
InChI Key FOTKYAAJKYLFFN-UHFFFAOYSA-N
Molecular Formula C10H22O2
Exact Mass 174.162 g/mol

Data and Resources

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-JP007315
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T15:55:59.323232
MetadataModified 2024-01-11T15:55:59.475347
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
496536 eMolecules
37153 PubChem
14772637 PubChem: Thomson Pharma
112-47-0 ACToR
5I577UDK52 FDA SRS
J10.105B Nikkaji
SCHEMBL27054 SureChEMBL
DTXSID3059420 EPA CompTox Dashboard
MCULE-3187467810 Mcule
WESTIX CCDC
1,10-DECANEDIOL rxnorm
ZINC000001758367 ZINC
48391 Brenda
CB5417700 ChemicalBook
The data in this table is sourced from UniChem at EBI.