Dataset

Phosphatidylcholine 17:1-22:6

This MassBank record with Accession MSBNK-Chubu_Univ-UT002294 contains the MS3 mass spectrum of Phosphatidylcholine 17:1-22:6 with the InChIkey ZOGZAROTKOYYRM-OOCWWCMUSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C47H80NO8P/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/h8,10,14,16,20,22,24-25,28,30,33-36,45H,6-7,9,11-13,15,17-19,21,23,26-27,29,31-32,37-44H2,1-5H3/b10-8-,16-14-,22-20-,25-24-,30-28-,35-33-,36-34-
SMILES C(CCC)CCCCCCCCC=CCCC(=O)OCC(COP([O-1])(=O)OCC[N+1](C)(C)C)OC(=O)CCC=CCC=CCC=CCC=CCC=CCC=CCC
InChI Key ZOGZAROTKOYYRM-OOCWWCMUSA-N
Molecular Formula C47H80NO8P
Exact Mass 817.562 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-UT002294
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T12:47:07.091730
MetadataModified 2024-01-11T12:47:07.268326
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
134784900 PubChem
The data in this table is sourced from UniChem at EBI.