Dataset

Phosphatidylglyceride 18:1-20:4

This MassBank record with Accession MSBNK-Chubu_Univ-UT002684 contains the MS2 mass spectrum of Phosphatidylglyceride 18:1-20:4 with the InChIkey ITIOHRDVKOPUBF-MOYSMJPMSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C44H77O10P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-44(48)54-42(40-53-55(49,50)52-38-41(46)37-45)39-51-43(47)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h13,15,19-20,24,26,29-32,41-42,45-46H,3-12,14,16-18,21-23,25,27-28,33-40H2,1-2H3,(H,49,50)/b15-13-,20-19-,26-24-,31-29-,32-30-
SMILES C(CCCCCC)=CCC=CCC=CCC=CCCC(OC(COC(=O)CCC=CCCCCCCCCCCCCC)COP(O)(=O)OCC(O)CO)=O
InChI Key ITIOHRDVKOPUBF-MOYSMJPMSA-N
Molecular Formula C44H77O10P
Exact Mass 796.525 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-UT002684
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T12:46:37.087996
MetadataModified 2024-01-11T12:46:37.238694
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
134739335 PubChem
The data in this table is sourced from UniChem at EBI.