Dataset

Triacylglycerol 10:0-16:0-18:1

This MassBank record with Accession MSBNK-Chubu_Univ-UT000525 contains the MS mass spectrum of Triacylglycerol 10:0-16:0-18:1 with the InChIkey FWWKWLAGVGBURZ-NMSHJFGGSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C47H88O6/c1-4-7-10-13-16-18-20-22-23-25-26-28-31-34-37-40-46(49)52-43-44(42-51-45(48)39-36-33-30-15-12-9-6-3)53-47(50)41-38-35-32-29-27-24-21-19-17-14-11-8-5-2/h31,34,44H,4-30,32-33,35-43H2,1-3H3/b34-31-
SMILES C(CCC=CCCC(=O)OCC(OC(CCCCCCCCCCCCCCC)=O)COC(CCCCCCCCC)=O)CCCCCCCCCC
InChI Key FWWKWLAGVGBURZ-NMSHJFGGSA-N
Molecular Formula C47H88O6
Exact Mass 748.658 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-UT000525
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T12:48:37.615415
MetadataModified 2025-02-09T08:58:34.240621
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
134731183 PubChem
The data in this table is sourced from UniChem at EBI.