Dataset

Phosphatidylglyceride 18:0-22:6

This MassBank record with Accession MSBNK-Chubu_Univ-UT002935 contains the MS2 mass spectrum of Phosphatidylglyceride 18:0-22:6 with the InChIkey CLQKBJHAUYGCOB-HSBBONCLSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C46H79O10P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-46(50)56-44(42-55-57(51,52)54-40-43(48)39-47)41-53-45(49)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,21-22,26,28,32,34,43-44,47-48H,3-4,6,8-10,12,14-16,18,20,23-25,27,29-31,33,35-42H2,1-2H3,(H,51,52)/b7-5-,13-11-,19-17-,22-21-,28-26-,34-32-
SMILES C(CCCCCCCCCCCC)CCCCC(=O)OCC(COP(OCC(O)CO)(O)=O)OC(CCC=CCC=CCC=CCC=CCC=CCC=CCC)=O
InChI Key CLQKBJHAUYGCOB-HSBBONCLSA-N
Molecular Formula C46H79O10P
Exact Mass 822.541 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-UT002935
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T12:48:22.151565
MetadataModified 2024-01-11T12:48:22.302652
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
134724320 PubChem
The data in this table is sourced from UniChem at EBI.