Dataset

Phosphatidylethanolamine 18:1-22:6

This MassBank record with Accession MSBNK-Chubu_Univ-UT001140 contains the MS2 mass spectrum of Phosphatidylethanolamine 18:1-22:6 with the InChIkey VPTWUJPVIKSANV-QRPORDCISA-N.

Chemical Info

molecular Image
InChI InChI=1S/C45H76NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-45(48)54-43(42-53-55(49,50)52-40-39-46)41-51-44(47)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,21-22,26,28,31-34,43H,3-4,6,8-10,12,14-16,18,20,23-25,27,29-30,35-42,46H2,1-2H3,(H,49,50)/b7-5-,13-11-,19-17-,22-21-,28-26-,33-31-,34-32-
SMILES C(CC)=CCC=CCC=CCC=CCC=CCC=CCCC(OC(COC(CCC=CCCCCCCCCCCCCC)=O)COP(O)(=O)OCCN)=O
InChI Key VPTWUJPVIKSANV-QRPORDCISA-N
Molecular Formula C45H76NO8P
Exact Mass 789.531 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-UT001140
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T12:49:53.658239
MetadataModified 2024-01-11T12:49:53.814205
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
134773889 PubChem
The data in this table is sourced from UniChem at EBI.