Dataset

Phosphatidylethanolamine 17:0-18:2; LC-ESI-ITFT; MS2; [M-H]-; RT: 24.60; Exp: 1

This MassBank record with Accession MSBNK-Chubu_Univ-UT001115 contains the MS2 mass spectrum of Phosphatidylethanolamine 17:0-18:2 with the InChIkey FGLSWIGNKJQROW-FTRFHSPVSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C40H76NO8P/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/h21,23,27,29,38H,3-20,22,24-26,28,30-37,41H2,1-2H3,(H,44,45)/b23-21-,29-27-
SMILES C(CCCCCCCCCCCCC)CCC(OCC(OC(CCC=CCC=CCCCCCCCCCC)=O)COP(O)(=O)OCCN)=O
InChI Key FGLSWIGNKJQROW-FTRFHSPVSA-N
Molecular Formula C40H76NO8P
Exact Mass 729.531 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-UT001115
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MetadataPublished 2016-01-19
Related Molecule
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    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    134729400 PubChem
    The data in this table is sourced from UniChem at EBI.