Dataset

Phosphatidylserine 18:0-22:6

This MassBank record with Accession MSBNK-Chubu_Univ-UT002457 contains the MS3 mass spectrum of Phosphatidylserine 18:0-22:6 with the InChIkey KZYWBGLCHYURCS-BIYWEPPDSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C47H80NO9P/c1-4-6-8-10-12-14-16-18-20-21-22-23-25-27-29-31-33-35-37-39-47(51)57-44(41-55-58(52,53)56-42-45(48)43(3)49)40-54-46(50)38-36-34-32-30-28-26-24-19-17-15-13-11-9-7-5-2/h6,8,12,14,18,20,22-23,27,29,33,35,44-45H,4-5,7,9-11,13,15-17,19,21,24-26,28,30-32,34,36-42,48H2,1-3H3,(H,52,53)/b8-6-,14-12-,20-18-,23-22-,29-27-,35-33-
SMILES C(CCCCCCCCCCCCCC)CCC(OCC(COP(OCC(C(C)=O)N)(O)=O)OC(CCC=CCC=CCC=CCC=CCC=CCC=CCC)=O)=O
InChI Key KZYWBGLCHYURCS-BIYWEPPDSA-N
Molecular Formula C47H80NO9P
Exact Mass 833.557 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-UT002457
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T12:47:03.512151
MetadataModified 2024-01-11T12:47:03.674617
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
134745733 PubChem
The data in this table is sourced from UniChem at EBI.