Dataset

Triacylglycerol 16:1-18:2-18:2

This MassBank record with Accession MSBNK-Chubu_Univ-UT000541 contains the MS mass spectrum of Triacylglycerol 16:1-18:2-18:2 with the InChIkey BNOFKGXXHHZEMK-VJZQUVOGSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C55H96O6/c1-4-7-10-13-16-19-22-25-27-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-29-24-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h30-31,33-34,38-43,52H,4-29,32,35-37,44-51H2,1-3H3/b33-30-,34-31-,41-38-,42-39-,43-40-
SMILES C(CC(OCC(OC(CCC=CCC=CCCCCCCCCCC)=O)COC(CCC=CCC=CCCCCCCCCCC)=O)=O)C=CCCCCCCCCCCC
InChI Key BNOFKGXXHHZEMK-VJZQUVOGSA-N
Molecular Formula C55H96O6
Exact Mass 852.721 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-UT000541
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T12:46:33.962106
MetadataModified 2024-01-11T12:46:34.139028
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
134721633 PubChem
The data in this table is sourced from UniChem at EBI.