Dataset

Phosphatidylethanolamine alkyl 16:0-18:1

This MassBank record with Accession MSBNK-Chubu_Univ-UT002181 contains the MS2 mass spectrum of Phosphatidylethanolamine alkyl 16:0-18:1 with the InChIkey XDIGIEOFWXOONN-SGEDCAFJSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C39H78NO7P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-39(41)47-38(37-46-48(42,43)45-35-33-40)36-44-34-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h26,28,38H,3-25,27,29-37,40H2,1-2H3,(H,42,43)/b28-26-
SMILES C(CCCCCCCCCCCOCC(COP(OCCN)(O)=O)OC(CCC=CCCCCCCCCCCCCC)=O)CCCC
InChI Key XDIGIEOFWXOONN-SGEDCAFJSA-N
Molecular Formula C39H78NO7P
Exact Mass 703.552 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-UT002181
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T12:47:28.696569
MetadataModified 2024-01-11T12:47:28.843697
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
134778103 PubChem
The data in this table is sourced from UniChem at EBI.