Dataset

Triacylglycerol 15:0-16:0-18:1

This MassBank record with Accession MSBNK-Chubu_Univ-UT000517 contains the MS mass spectrum of Triacylglycerol 15:0-16:0-18:1 with the InChIkey UOKYBFHTUSDWJW-HYLXNHFUSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C52H98O6/c1-4-7-10-13-16-19-22-25-26-28-30-33-36-39-42-45-51(54)57-48-49(47-56-50(53)44-41-38-35-32-29-24-21-18-15-12-9-6-3)58-52(55)46-43-40-37-34-31-27-23-20-17-14-11-8-5-2/h36,39,49H,4-35,37-38,40-48H2,1-3H3/b39-36-
SMILES C(CCCCC(=O)OCC(OC(CCCCCCCCCCCCCCC)=O)COC(CCC=CCCCCCCCCCCCCC)=O)CCCCCCCCC
InChI Key UOKYBFHTUSDWJW-HYLXNHFUSA-N
Molecular Formula C52H98O6
Exact Mass 818.736 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-UT000517
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T12:46:50.048267
MetadataModified 2024-01-11T12:46:50.198387
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
134771058 PubChem
The data in this table is sourced from UniChem at EBI.