Dataset

1,2-dioctanoyl-sn-glycerol

This MassBank record with Accession MSBNK-Antwerp_Univ-METOX_N103912_1273 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
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Antwerp_Univ-METOX_N103912_1273
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:30:01.949959
MetadataModified 2024-01-11T09:30:02.173072
MetadataPublished 2022-04-08
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
HMDB0244086 Human Metabolome Database
SCHEMBL825310 SureChEMBL
J118.318D Nikkaji
PD069244 ProbesDrugs
1323 PubChem
15422490 PubChem: Thomson Pharma
1069-87-0 ACToR
SA9937IP23 FDA SRS
102008 Brenda
112153 Brenda
120865 Brenda
141489 Brenda
50367 Brenda
CHEMBL24609 ChEMBL
1984424 eMolecules
The data in this table is sourced from UniChem at EBI.