Dataset

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

This MassBank record with Accession MSBNK-Chubu_Univ-UT000506 contains the MS mass spectrum of Triacylglycerol 18:0-18:1-18:1 with the InChIkey HIQKXJJFHLCCFB-QITDBGOUSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C57H106O6/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/h40,42-43,45,54H,4-39,41,44,46-53H2,1-3H3/b43-40-,45-42-
SMILES C(CCCCCCCCC)CCCC=CCCC(=O)OC(COC(CCC=CCCCCCCCCCCCCC)=O)COC(=O)CCCCCCCCCCCCCCCCC
InChI Key HIQKXJJFHLCCFB-QITDBGOUSA-N
Molecular Formula C57H106O6
Exact Mass 886.799 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-UT000506
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T12:55:22.880345
MetadataModified 2025-02-09T09:02:01.064392
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
134735326 PubChem
The data in this table is sourced from UniChem at EBI.