Dataset

2-HEXADECANONE

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP008595 contains the MS mass spectrum of 2-HEXADECANONE with the InChIkey XCXKZBWAKKPFCJ-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C16H32O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16(2)17/h3-15H2,1-2H3
SMILES CCCCCCCCCCCCCCC(C)=O
InChI Key XCXKZBWAKKPFCJ-UHFFFAOYSA-N
Molecular Formula C16H32O
Exact Mass 240.245 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-JP008595
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T15:55:18.937971
MetadataModified 2024-01-11T15:55:19.101279
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
29251 PubChem
ZINC000077293282 ZINC
LMFA12000187 LipidMaps
DTXSID10172101 EPA CompTox Dashboard
HMDB0031052 Human Metabolome Database
179359 ChEBI
18787-63-8 ACToR
502403 eMolecules
LW5WI8V19D FDA SRS
15391422 PubChem: Thomson Pharma
60019265 NMRShiftDB
SCHEMBL308802 SureChEMBL
J73.681C Nikkaji
CHEMBL3273568 ChEMBL
The data in this table is sourced from UniChem at EBI.