Dataset

Phosphatidylcholine 18:1-22:0

This MassBank record with Accession MSBNK-Chubu_Univ-UT001320 contains the MS2 mass spectrum of Phosphatidylcholine 18:1-22:0 with the InChIkey RNTSLIRAJXVPLB-ZSWXBHCYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C48H94NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-29-31-33-35-37-39-41-48(51)57-46(45-56-58(52,53)55-43-42-49(3,4)5)44-54-47(50)40-38-36-34-32-30-28-26-21-19-17-15-13-11-9-7-2/h34,36,46H,6-33,35,37-45H2,1-5H3/b36-34-
SMILES C(OP(OCC[N+1](C)(C)C)([O-1])=O)C(OC(=O)CCCCCCCCCCCCCCCCCCCCC)COC(=O)CCC=CCCCCCCCCCCCCC
InChI Key RNTSLIRAJXVPLB-ZSWXBHCYSA-N
Molecular Formula C48H94NO8P
Exact Mass 843.672 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-UT001320
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T12:51:31.592407
MetadataModified 2025-02-09T08:59:03.086010
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
134764476 PubChem
The data in this table is sourced from UniChem at EBI.