Dataset

Triacylglycerol 16:0-16:0-18:1

This MassBank record with Accession MSBNK-Chubu_Univ-UT000558 contains the MS mass spectrum of Triacylglycerol 16:0-16:0-18:1 with the InChIkey CXTGMKVLPBAFQU-CUXNAULPSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C53H100O6/c1-4-7-10-13-16-19-22-25-26-29-31-34-37-40-43-46-52(55)58-49-50(59-53(56)47-44-41-38-35-32-28-24-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-30-27-23-20-17-14-11-8-5-2/h37,40,50H,4-36,38-39,41-49H2,1-3H3/b40-37-
SMILES C(CC(OCC(COC(CCCCCCCCCCCCCCC)=O)OC(CCCCCCCCCCCCCCC)=O)=O)C=CCCCCCCCCCCCCC
InChI Key CXTGMKVLPBAFQU-CUXNAULPSA-N
Molecular Formula C53H100O6
Exact Mass 832.752 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-Chubu_Univ-UT000558
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T12:46:17.901922
MetadataModified 2024-01-11T12:46:18.134356
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
134725635 PubChem
The data in this table is sourced from UniChem at EBI.