Dataset

Triacylglycerol 17:1-18:1-18:1

This MassBank record with Accession MSBNK-Chubu_Univ-UT000554 contains the MS mass spectrum of Triacylglycerol 17:1-18:1-18:1 with the InChIkey URECVIHFNYVHHN-AGPHHGIASA-N.

Chemical Info

molecular Image
InChI InChI=1S/C56H102O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-53(51-60-54(57)48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h39-44,53H,4-38,45-52H2,1-3H3/b42-39-,43-40-,44-41-
SMILES C(CC)CCCCCCCCCC=CCCC(OCC(COC(CCC=CCCCCCCCCCCCCC)=O)OC(CCC=CCCCCCCCCCCCCC)=O)=O
InChI Key URECVIHFNYVHHN-AGPHHGIASA-N
Molecular Formula C56H102O6
Exact Mass 870.768 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-UT000554
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T12:49:01.614359
MetadataModified 2024-01-11T12:49:01.804337
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
134771357 PubChem
The data in this table is sourced from UniChem at EBI.