Dataset

MGMG 18:2

This MassBank record with Accession MSBNK-RIKEN-PR309166 contains the MS2 mass spectrum of MGMG 18:2 with the InChIkey LBHUIJRTHBBWHP-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C27H48O9/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/h6-7,9-10,21-22,24-29,31-33H,2-5,8,11-20H2,1H3
SMILES O=C(OCC(O)COC1OC(CO)C(O)C(O)C1(O))CCCCCCCC=CCC=CCCCCC
InChI Key LBHUIJRTHBBWHP-UHFFFAOYSA-N
Molecular Formula C27H48O9
Exact Mass 516.672 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-PR309166
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T20:24:23.097770
MetadataModified 2025-02-09T18:25:32.972511
MetadataPublished 2019-03-28
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
75059739 PubChem
The data in this table is sourced from UniChem at EBI.