Dataset

Phosphatidylethanolamine 16:0-18:1

This MassBank record with Accession MSBNK-Chubu_Univ-UT002098 contains the MS2 mass spectrum of Phosphatidylethanolamine 16:0-18:1 with the InChIkey RECBGBLFDMTQRS-SGEDCAFJSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C39H76NO8P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-39(42)48-37(36-47-49(43,44)46-34-33-40)35-45-38(41)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h26,28,37H,3-25,27,29-36,40H2,1-2H3,(H,43,44)/b28-26-
SMILES C(CCCCCCCCC=CCCC(=O)OC(COC(CCCCCCCCCCCCCCC)=O)COP(OCCN)(O)=O)CCCC
InChI Key RECBGBLFDMTQRS-SGEDCAFJSA-N
Molecular Formula C39H76NO8P
Exact Mass 717.531 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-UT002098
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T13:02:32.807091
MetadataModified 2025-02-09T08:59:40.637893
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
134763376 PubChem
The data in this table is sourced from UniChem at EBI.