Dataset

Phosphatidylcholine 18:0-19:1 / 17:0-20:1

This MassBank record with Accession MSBNK-Chubu_Univ-UT001671 contains the MS3 mass spectrum of Phosphatidylcholine 18:0-19:1 / 17:0-20:1 with the InChIkey HTAZKTKKXUDITR-RNFOGLPLSA-N.

Chemical Info

molecular Image
InChI InChI=1S/2C45H88NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-26-28-30-32-34-36-38-45(48)54-43(42-53-55(49,50)52-40-39-46(3,4)5)41-51-44(47)37-35-33-31-29-27-25-21-19-17-15-13-11-9-7-2;1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-45(48)54-43(42-53-55(49,50)52-40-39-46(3,4)5)41-51-44(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h2*32,34,43H,6-31,33,35-42H2,1-5H3/b2*34-32-
SMILES CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CC/C=C\CCCCCCCCCCCCCC.CCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CC/C=C\CCCCCCCCCCCCCCC
InChI Key HTAZKTKKXUDITR-RNFOGLPLSA-N
Molecular Formula C90H176N2O16P2
Exact Mass 1603.250 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-UT001671
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T12:47:59.031537
MetadataModified 2024-01-11T12:47:59.195357
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
134736481 PubChem
The data in this table is sourced from UniChem at EBI.