Dataset

Triacylglycerol 14:0-16:0-16:0

This MassBank record with Accession MSBNK-Chubu_Univ-UT000546 contains the MS mass spectrum of Triacylglycerol 14:0-16:0-16:0 with the InChIkey JWVXCFSNEOMSHH-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C49H94O6/c1-4-7-10-13-16-19-22-24-27-30-33-36-39-42-48(51)54-45-46(44-53-47(50)41-38-35-32-29-26-21-18-15-12-9-6-3)55-49(52)43-40-37-34-31-28-25-23-20-17-14-11-8-5-2/h46H,4-45H2,1-3H3
SMILES C(OCC(OC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC)(CCCCCCCCCCCCC)=O
InChI Key JWVXCFSNEOMSHH-UHFFFAOYSA-N
Molecular Formula C49H94O6
Exact Mass 778.705 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-UT000546
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T12:46:55.122442
MetadataModified 2024-01-11T12:46:55.273417
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
J603.427F Nikkaji
SCHEMBL2733344 SureChEMBL
PD069935 ProbesDrugs
15210712 PubChem: Thomson Pharma
57416-13-4 ACToR
4099879 PubChem
The data in this table is sourced from UniChem at EBI.