Dataset

Phosphatidylserine 18:1-18:1

This MassBank record with Accession MSBNK-Chubu_Univ-UT003173 contains the MS3 mass spectrum of Phosphatidylserine 18:1-18:1 with the InChIkey BXLSNQCWUIWATA-BRMDCIMDSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C43H80NO9P/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-42(46)50-36-40(37-51-54(48,49)52-38-41(44)39(3)45)53-43(47)35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h28-31,40-41H,4-27,32-38,44H2,1-3H3,(H,48,49)/b30-28-,31-29-
SMILES C(CCCC=CCCC(OCC(OC(=O)CCC=CCCCCCCCCCCCCC)COP(O)(=O)OCC(N)C(C)=O)=O)CCCCCCCCC
InChI Key BXLSNQCWUIWATA-BRMDCIMDSA-N
Molecular Formula C43H80NO9P
Exact Mass 785.557 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-UT003173
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T12:46:55.522426
MetadataModified 2024-01-11T12:46:55.708410
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
134722772 PubChem
The data in this table is sourced from UniChem at EBI.