Dataset

Phosphatidylcholine 16:1-22:6

This MassBank record with Accession MSBNK-Chubu_Univ-UT002407 contains the MS3 mass spectrum of Phosphatidylcholine 16:1-22:6 with the InChIkey ALJYHFIRPGURAF-DACYDXBYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C46H78NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-27-29-31-33-35-37-39-46(49)55-44(43-54-56(50,51)53-41-40-47(3,4)5)42-52-45(48)38-36-34-32-30-28-26-19-17-15-13-11-9-7-2/h8,10,14,16,20-21,23-24,27,29,32-35,44H,6-7,9,11-13,15,17-19,22,25-26,28,30-31,36-43H2,1-5H3/b10-8-,16-14-,21-20-,24-23-,29-27-,34-32-,35-33-
SMILES C(CCCCC)CCCCCC=CCCC(=O)OCC(COP([O-1])(=O)OCC[N+1](C)(C)C)OC(=O)CCC=CCC=CCC=CCC=CCC=CCC=CCC
InChI Key ALJYHFIRPGURAF-DACYDXBYSA-N
Molecular Formula C46H78NO8P
Exact Mass 803.547 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-UT002407
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T12:47:17.392427
MetadataModified 2024-01-11T12:47:17.547199
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
134718610 PubChem
The data in this table is sourced from UniChem at EBI.