Dataset

Phosphatidylcholine 14:0-18:2

This MassBank record with Accession MSBNK-Chubu_Univ-UT002472 contains the MS2 mass spectrum of Phosphatidylcholine 14:0-18:2 with the InChIkey IYYGCMJPRHBGGS-FTRFHSPVSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C40H76NO8P/c1-6-8-10-12-14-16-18-19-20-21-23-25-27-29-31-33-40(43)49-38(37-48-50(44,45)47-35-34-41(3,4)5)36-46-39(42)32-30-28-26-24-22-17-15-13-11-9-7-2/h21,23,27,29,38H,6-20,22,24-26,28,30-37H2,1-5H3/b23-21-,29-27-
SMILES C(COP([O-1])(=O)OCC(OC(=O)CCC=CCC=CCCCCCCCCCC)COC(=O)CCCCCCCCCCCCC)[N+1](C)(C)C
InChI Key IYYGCMJPRHBGGS-FTRFHSPVSA-N
Molecular Formula C40H76NO8P
Exact Mass 729.531 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-UT002472
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T12:47:38.120149
MetadataModified 2024-01-11T12:47:38.271820
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
134740015 PubChem
The data in this table is sourced from UniChem at EBI.