Dataset

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

This MassBank record with Accession MSBNK-Chubu_Univ-UT000559 contains the MS mass spectrum of Triacylglycerol 18:1-18:2-18:2 with the InChIkey RFWIDAUHTKMSQG-BYJBMJJDSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h31,33-34,36,40-45,54H,4-30,32,35,37-39,46-53H2,1-3H3/b34-31-,36-33-,43-40-,44-41-,45-42-
SMILES C(CC=CCC=CCCCCCCCCCC)C(=O)OC(COC(CCC=CCCCCCCCCCCCCC)=O)COC(=O)CCC=CCC=CCCCCCCCCCC
InChI Key RFWIDAUHTKMSQG-BYJBMJJDSA-N
Molecular Formula C57H100O6
Exact Mass 880.752 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-UT000559
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T12:46:35.904572
MetadataModified 2024-01-11T12:46:36.077533
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
134763588 PubChem
The data in this table is sourced from UniChem at EBI.