Dataset

DGMG 18:3

This MassBank record with Accession MSBNK-RIKEN-PR309173 contains the MS2 mass spectrum of DGMG 18:3 with the InChIkey MPSGDHOYFIUPSO-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C33H56O14/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-25(36)43-19-22(35)20-44-32-31(42)29(40)27(38)24(47-32)21-45-33-30(41)28(39)26(37)23(18-34)46-33/h3-4,6-7,9-10,22-24,26-35,37-42H,2,5,8,11-21H2,1H3
SMILES O=C(OCC(O)COC2OC(COC1OC(CO)C(O)C(O)C1(O))C(O)C(O)C2(O))CCCCCCCC=CCC=CCC=CCC
InChI Key MPSGDHOYFIUPSO-UHFFFAOYSA-N
Molecular Formula C33H56O14
Exact Mass 676.797 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-PR309173
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T20:41:52.003979
MetadataModified 2024-01-11T20:41:52.177640
MetadataPublished 2019-03-28
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
73034882 PubChem
The data in this table is sourced from UniChem at EBI.