Dataset

Triacylglycerol 15:0-18:1-18:2

This MassBank record with Accession MSBNK-Chubu_Univ-UT000500 contains the MS mass spectrum of Triacylglycerol 15:0-18:1-18:2 with the InChIkey FOTIZMVVUPTZTE-BOOJFYDZSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C54H98O6/c1-4-7-10-13-16-19-22-25-27-29-32-35-38-41-44-47-53(56)59-50-51(49-58-52(55)46-43-40-37-34-31-24-21-18-15-12-9-6-3)60-54(57)48-45-42-39-36-33-30-28-26-23-20-17-14-11-8-5-2/h29,32,38-39,41-42,51H,4-28,30-31,33-37,40,43-50H2,1-3H3/b32-29-,41-38-,42-39-
SMILES C(CC=CCCC(OC(COC(CCC=CCC=CCCCCCCCCCC)=O)COC(=O)CCCCCCCCCCCCCC)=O)CCCCCCCCCCC
InChI Key FOTIZMVVUPTZTE-BOOJFYDZSA-N
Molecular Formula C54H98O6
Exact Mass 842.736 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-UT000500
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T12:49:29.505191
MetadataModified 2024-01-11T12:49:29.680069
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
134730327 PubChem
The data in this table is sourced from UniChem at EBI.