Dataset

Phosphatidylethanolamine 18:1-20:5

This MassBank record with Accession MSBNK-Chubu_Univ-UT002127 contains the MS2 mass spectrum of Phosphatidylethanolamine 18:1-20:5 with the InChIkey MQYQFMSHGWBKBV-XKMJRSRDSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C43H74NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-43(46)52-41(40-51-53(47,48)50-38-37-44)39-49-42(45)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h7,9,13,15,19-20,24,26,29-32,41H,3-6,8,10-12,14,16-18,21-23,25,27-28,33-40,44H2,1-2H3,(H,47,48)/b9-7-,15-13-,20-19-,26-24-,31-29-,32-30-
SMILES O(CCN)P(O)(=O)OCC(OC(=O)CCC=CCC=CCC=CCC=CCC=CCCC)COC(CCC=CCCCCCCCCCCCCC)=O
InChI Key MQYQFMSHGWBKBV-XKMJRSRDSA-N
Molecular Formula C43H74NO8P
Exact Mass 763.515 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-UT002127
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T12:49:34.039409
MetadataModified 2024-01-11T12:49:34.193522
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
134750450 PubChem
The data in this table is sourced from UniChem at EBI.