Dataset

MGMG 18:3

This MassBank record with Accession MSBNK-RIKEN-PR309162 contains the MS2 mass spectrum of MGMG 18:3 with the InChIkey HUSISCNTLUEZCN-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C27H46O9/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(30)34-19-21(29)20-35-27-26(33)25(32)24(31)22(18-28)36-27/h3-4,6-7,9-10,21-22,24-29,31-33H,2,5,8,11-20H2,1H3
SMILES O=C(OCC(O)COC1OC(CO)C(O)C(O)C1(O))CCCCCCCC=CCC=CCC=CCC
InChI Key HUSISCNTLUEZCN-UHFFFAOYSA-N
Molecular Formula C27H46O9
Exact Mass 514.656 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-RIKEN-PR309162
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T19:42:38.682675
MetadataModified 2025-02-09T18:24:50.305169
MetadataPublished 2019-03-28
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
72984398 PubChem
The data in this table is sourced from UniChem at EBI.