Dataset

Triacylglycerol 4:0-18:1-18:2

This MassBank record with Accession MSBNK-Chubu_Univ-UT000509 contains the MS mass spectrum of Triacylglycerol 4:0-18:1-18:2 with the InChIkey KVLSXISIBOLLDR-UYTXTCNLSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C43H76O6/c1-4-7-9-11-13-15-17-19-21-23-25-27-29-31-33-36-42(45)48-39-40(38-47-41(44)35-6-3)49-43(46)37-34-32-30-28-26-24-22-20-18-16-14-12-10-8-5-2/h23,25,29-32,40H,4-22,24,26-28,33-39H2,1-3H3/b25-23-,31-29-,32-30-
SMILES C(CCCCCC)CCCC=CCC=CCCC(OCC(OC(CCC=CCCCCCCCCCCCCC)=O)COC(CCC)=O)=O
InChI Key KVLSXISIBOLLDR-UYTXTCNLSA-N
Molecular Formula C43H76O6
Exact Mass 688.564 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-UT000509
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T12:58:16.355022
MetadataModified 2025-02-09T09:01:54.944349
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
134745299 PubChem
The data in this table is sourced from UniChem at EBI.