Dataset

1,2-dioctanoyl-sn-glycerol

This MassBank record with Accession MSBNK-Antwerp_Univ-METOX_N103916_CC60 contains the MS2 mass spectrum of 1,2-dioctanoyl-sn-glycerol with the InChIkey ZQBULZYTDGUSSK-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C19H36O5/c1-3-5-7-9-11-13-18(21)23-16-17(15-20)24-19(22)14-12-10-8-6-4-2/h17,20H,3-16H2,1-2H3
SMILES CCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCC
InChI Key ZQBULZYTDGUSSK-UHFFFAOYSA-N
Molecular Formula C19H36O5
Exact Mass 344.256 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Antwerp_Univ-METOX_N103916_CC60
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:36:39.674054
MetadataModified 2025-02-08T18:46:47.380052
MetadataPublished 2022-04-07
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
CHEMBL24609 ChEMBL
SA9937IP23 FDA SRS
J118.318D Nikkaji
HMDB0244086 Human Metabolome Database
1323 PubChem
15422490 PubChem: Thomson Pharma
1069-87-0 ACToR
PD069244 ProbesDrugs
1984424 eMolecules
SCHEMBL825310 SureChEMBL
120865 Brenda
102008 Brenda
112153 Brenda
50367 Brenda
141489 Brenda
The data in this table is sourced from UniChem at EBI.