Dataset

Phosphatidylcholine alkyl 16:0-16:0

This MassBank record with Accession MSBNK-Chubu_Univ-UT003148 contains the MS3 mass spectrum of Phosphatidylcholine alkyl 16:0-16:0 with the InChIkey WOTHHEHCEYHCFE-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C40H82NO7P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-35-45-37-39(38-47-49(43,44)46-36-34-41(3,4)5)48-40(42)33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h39H,6-38H2,1-5H3
SMILES C(CCCCCCCCCCCCCC)COCC(OC(CCCCCCCCCCCCCCC)=O)COP([O-1])(=O)OCC[N+1](C)(C)C
InChI Key WOTHHEHCEYHCFE-UHFFFAOYSA-N
Molecular Formula C40H82NO7P
Exact Mass 719.583 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-UT003148
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T12:57:17.437703
MetadataModified 2025-02-09T09:01:20.470070
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
SCHEMBL2733728 SureChEMBL
10169139 PubChem
15162217 PubChem: Thomson Pharma
The data in this table is sourced from UniChem at EBI.