Dataset

Phosphatidylcholine 17:0-22:6

This MassBank record with Accession MSBNK-Chubu_Univ-UT002292 contains the MS3 mass spectrum of Phosphatidylcholine 17:0-22:6 with the InChIkey KSRURLYJRNYEOH-CRVSLQDRSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C47H82NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-26-28-30-32-34-36-38-40-47(50)56-45(44-55-57(51,52)54-42-41-48(3,4)5)43-53-46(49)39-37-35-33-31-29-27-21-19-17-15-13-11-9-7-2/h8,10,14,16,20,22,24-25,28,30,34,36,45H,6-7,9,11-13,15,17-19,21,23,26-27,29,31-33,35,37-44H2,1-5H3/b10-8-,16-14-,22-20-,25-24-,30-28-,36-34-
SMILES C(CCCCCCCCCC)CCCCCC(=O)OCC(COP(OCC[N+1](C)(C)C)([O-1])=O)OC(=O)CCC=CCC=CCC=CCC=CCC=CCC=CCC
InChI Key KSRURLYJRNYEOH-CRVSLQDRSA-N
Molecular Formula C47H82NO8P
Exact Mass 819.578 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-UT002292
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T12:47:33.494509
MetadataModified 2024-01-11T12:47:33.642312
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
134744996 PubChem
The data in this table is sourced from UniChem at EBI.