Dataset

Phosphatidylethanolamine 16:0-18:3

This MassBank record with Accession MSBNK-Chubu_Univ-UT001841 contains the MS2 mass spectrum of Phosphatidylethanolamine 16:0-18:3 with the InChIkey BXKYCESYRFZXHJ-FFPWFUNSSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C39H72NO8P/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/h15,17,20,22,26,28,37H,3-14,16,18-19,21,23-25,27,29-36,40H2,1-2H3,(H,43,44)/b17-15-,22-20-,28-26-
SMILES C(OP(OCCN)(O)=O)C(OC(CCC=CCC=CCC=CCCCCCCC)=O)COC(CCCCCCCCCCCCCCC)=O
InChI Key BXKYCESYRFZXHJ-FFPWFUNSSA-N
Molecular Formula C39H72NO8P
Exact Mass 713.500 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-UT001841
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T12:46:17.449786
MetadataModified 2024-01-11T12:46:17.668112
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
134722765 PubChem
The data in this table is sourced from UniChem at EBI.