Dataset

Triacylglycerol 16:0-18:1-22:5

This MassBank record with Accession MSBNK-Chubu_Univ-UT000532 contains the MS mass spectrum of Triacylglycerol 16:0-18:1-22:5 with the InChIkey CKLUFKYOOVYBNN-WFFHTSENSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-31-26-23-20-17-14-11-8-5-2/h16,19,25,27,29-30,34,37,43-44,46-47,56H,4-15,17-18,20-24,26,28,31-33,35-36,38-42,45,48-55H2,1-3H3/b19-16-,27-25-,30-29-,37-34-,46-43-,47-44-
SMILES C(CCCCCCCCCCCCC)=CCCC(=O)OC(COC(=O)CCC=CCC=CCC=CCC=CCC=CCCCCC)COC(=O)CCCCCCCCCCCCCCC
InChI Key CKLUFKYOOVYBNN-WFFHTSENSA-N
Molecular Formula C59H102O6
Exact Mass 906.768 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-UT000532
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T12:48:55.317598
MetadataModified 2024-01-11T12:48:55.470080
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
134724209 PubChem
The data in this table is sourced from UniChem at EBI.