Dataset

Phosphatidylethanolamine alkyl 18:0-22:6

This MassBank record with Accession MSBNK-Chubu_Univ-UT002192 contains the MS2 mass spectrum of Phosphatidylethanolamine alkyl 18:0-22:6 with the InChIkey CFLIAMAPAOTPGM-NPBPTTFKSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C45H80NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-45(47)53-44(43-52-54(48,49)51-41-39-46)42-50-40-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,22-23,26,28,32,34,44H,3-4,6,8-10,12,14-16,18,20-21,24-25,27,29-31,33,35-43,46H2,1-2H3,(H,48,49)/b7-5-,13-11-,19-17-,23-22-,28-26-,34-32-
SMILES C(CC=CCC=CCC=CCCC(=O)OC(COP(OCCN)(O)=O)COCCCCCCCCCCCCCCCCCC)=CCC=CCC=CCC
InChI Key CFLIAMAPAOTPGM-NPBPTTFKSA-N
Molecular Formula C45H80NO7P
Exact Mass 777.567 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-UT002192
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T13:03:39.343759
MetadataModified 2025-02-09T08:59:11.078139
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
134723691 PubChem
The data in this table is sourced from UniChem at EBI.