Dataset

Phosphatidylserine 22:6-22:6

This MassBank record with Accession MSBNK-Chubu_Univ-UT001257 contains the MS2 mass spectrum of Phosphatidylserine 22:6-22:6 with the InChIkey RJCZACBLQGCNCW-GZSOIYOPSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C50H74NO10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-48(52)58-43-46(44-59-62(56,57)60-45-47(51)50(54)55)61-49(53)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,23-26,29-32,35-38,46-47H,3-4,9-10,15-16,21-22,27-28,33-34,39-45,51H2,1-2H3,(H,54,55)(H,56,57)/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,31-29-,32-30-,37-35-,38-36-
SMILES C(=CCC=CCC=CCC=CCCC(=O)OCC(OC(CCC=CCC=CCC=CCC=CCC=CCC=CCC)=O)COP(O)(=O)OCC(C(O)=O)N)CC=CCC=CCC
InChI Key RJCZACBLQGCNCW-GZSOIYOPSA-N
Molecular Formula C50H74NO10P
Exact Mass 879.505 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-UT001257
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T12:49:38.851401
MetadataModified 2024-01-11T12:49:39.001293
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
14791776 PubChem: Thomson Pharma
9832667 PubChem
The data in this table is sourced from UniChem at EBI.