Dataset

Phosphatidylglyceride 16:0-18:1

This MassBank record with Accession MSBNK-Chubu_Univ-UT001204 contains the MS2 mass spectrum of Phosphatidylglyceride 16:0-18:1 with the InChIkey JITAGSMRIUAUGR-SGEDCAFJSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C40H77O10P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-40(44)50-38(36-49-51(45,46)48-34-37(42)33-41)35-47-39(43)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h26,28,37-38,41-42H,3-25,27,29-36H2,1-2H3,(H,45,46)/b28-26-
SMILES P(OCC(CO)O)(O)(=O)OCC(OC(CCC=CCCCCCCCCCCCCC)=O)COC(=O)CCCCCCCCCCCCCCC
InChI Key JITAGSMRIUAUGR-SGEDCAFJSA-N
Molecular Formula C40H77O10P
Exact Mass 748.525 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-UT001204
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T12:49:00.865434
MetadataModified 2024-01-11T12:49:01.018808
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
134741077 PubChem
The data in this table is sourced from UniChem at EBI.