Dataset

Phosphatidylethanolamine alkyl 20:0-20:4

This MassBank record with Accession MSBNK-Chubu_Univ-UT002662 contains the MS2 mass spectrum of Phosphatidylethanolamine alkyl 20:0-20:4 with the InChIkey BLFJXWVGBRMOTJ-CDNBUOKMSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C45H84NO7P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-40-50-42-44(43-52-54(48,49)51-41-39-46)53-45(47)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h14,16,20,22,26,28,32,34,44H,3-13,15,17-19,21,23-25,27,29-31,33,35-43,46H2,1-2H3,(H,48,49)/b16-14-,22-20-,28-26-,34-32-
SMILES C(CCCCCC)=CCC=CCC=CCC=CCCC(=O)OC(COP(OCCN)(O)=O)COCCCCCCCCCCCCCCCCCCCC
InChI Key BLFJXWVGBRMOTJ-CDNBUOKMSA-N
Molecular Formula C45H84NO7P
Exact Mass 781.599 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-UT002662
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T12:48:44.270672
MetadataModified 2024-01-11T12:48:44.416827
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
134721354 PubChem
The data in this table is sourced from UniChem at EBI.