Dataset

Phosphatidylethanolamine 17:1-22:6

This MassBank record with Accession MSBNK-Chubu_Univ-UT002590 contains the MS2 mass spectrum of Phosphatidylethanolamine 17:1-22:6 with the InChIkey PKKFLKWXJRZTFJ-YZIPONAMSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C44H74NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-25-27-29-31-33-35-37-44(47)53-42(41-52-54(48,49)51-39-38-45)40-50-43(46)36-34-32-30-28-26-24-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,21-22,25,27,30-33,42H,3-4,6,8-10,12,14-16,18,20,23-24,26,28-29,34-41,45H2,1-2H3,(H,48,49)/b7-5-,13-11-,19-17-,22-21-,27-25-,32-30-,33-31-
SMILES C(CC)=CCC=CCC=CCC=CCC=CCC=CCCC(OC(COC(CCC=CCCCCCCCCCCCC)=O)COP(O)(=O)OCCN)=O
InChI Key PKKFLKWXJRZTFJ-YZIPONAMSA-N
Molecular Formula C44H74NO8P
Exact Mass 775.515 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-UT002590
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T12:48:56.250891
MetadataModified 2024-01-11T12:48:56.396200
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
134758273 PubChem
The data in this table is sourced from UniChem at EBI.