Dataset

Phosphatidylserine 16:0-22:6

This MassBank record with Accession MSBNK-Chubu_Univ-UT002720 contains the MS2 mass spectrum of Phosphatidylserine 16:0-22:6 with the InChIkey PWBBJQOVCTWPIM-LGFBOSHVSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C44H74NO10P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-43(47)55-40(38-53-56(50,51)54-39-41(45)44(48)49)37-52-42(46)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2/h5,7,11,13,17-18,20-21,24,26,30,32,40-41H,3-4,6,8-10,12,14-16,19,22-23,25,27-29,31,33-39,45H2,1-2H3,(H,48,49)(H,50,51)/b7-5-,13-11-,18-17-,21-20-,26-24-,32-30-
SMILES C(CC)=CCC=CCC=CCC=CCC=CCC=CCCC(OC(COC(CCCCCCCCCCCCCCC)=O)COP(OCC(C(O)=O)N)(O)=O)=O
InChI Key PWBBJQOVCTWPIM-LGFBOSHVSA-N
Molecular Formula C44H74NO10P
Exact Mass 807.505 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-UT002720
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T12:47:57.581536
MetadataModified 2024-01-11T12:47:57.759842
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
163638025 PubChem: Thomson Pharma
71585836 PubChem
The data in this table is sourced from UniChem at EBI.