Dataset

Phosphatidylethanolamine 17:1-18:2

This MassBank record with Accession MSBNK-Chubu_Univ-UT001119 contains the MS2 mass spectrum of Phosphatidylethanolamine 17:1-18:2 with the InChIkey NXIAGSLBMLOYBM-ONGBHLIUSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C40H74NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(43)49-38(37-48-50(44,45)47-35-34-41)36-46-39(42)32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h21,23,26-29,38H,3-20,22,24-25,30-37,41H2,1-2H3,(H,44,45)/b23-21-,28-26-,29-27-
SMILES C(CC(=O)OCC(OC(CCC=CCC=CCCCCCCCCCC)=O)COP(O)(=O)OCCN)C=CCCCCCCCCCCCC
InChI Key NXIAGSLBMLOYBM-ONGBHLIUSA-N
Molecular Formula C40H74NO8P
Exact Mass 727.515 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-UT001119
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T12:49:14.176698
MetadataModified 2024-01-11T12:49:14.360400
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
134754031 PubChem
The data in this table is sourced from UniChem at EBI.