Dataset

Phosphatidylcholine 16:0-16:0

This MassBank record with Accession MSBNK-Chubu_Univ-UT002028 contains the MS2 mass spectrum of Phosphatidylcholine 16:0-16:0 with the InChIkey KILNVBDSWZSGLL-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C40H80NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-39(42)46-36-38(37-48-50(44,45)47-35-34-41(3,4)5)49-40(43)33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h38H,6-37H2,1-5H3
SMILES C(CCCCCCCCC)CCCCCC(=O)OCC(COP(OCC[N+1](C)(C)C)([O-1])=O)OC(CCCCCCCCCCCCCCC)=O
InChI Key KILNVBDSWZSGLL-UHFFFAOYSA-N
Molecular Formula C40H80NO8P
Exact Mass 733.562 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-UT002028
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T12:46:48.268479
MetadataModified 2024-01-11T12:46:48.419927
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
6138 PubChem
2644-64-6 ACToR
PD013830 ProbesDrugs
107041-15-6 ACToR
14864497 PubChem: Thomson Pharma
CB8473600 ChemicalBook
PALLEC CCDC
HMDB0245715 Human Metabolome Database
SCHEMBL184776 SureChEMBL
2W15RT5V7V FDA SRS
1,2-DIPALMITOYLPHOSPHATIDYLCHOLINE rxnorm
1938247 eMolecules
The data in this table is sourced from UniChem at EBI.