Dataset

Phosphatidylserine 18:1-18:0 / 16:0-20:1

This MassBank record with Accession MSBNK-Chubu_Univ-UT001719 contains the MS3 mass spectrum of Phosphatidylserine 18:1-18:0 / 16:0-20:1 with the InChIkey FEISPLZXBVWGKM-WYBPCXTMSA-N.

Chemical Info

molecular Image
InChI InChI=1S/2C42H80NO10P/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-41(45)53-38(36-51-54(48,49)52-37-39(43)42(46)47)35-50-40(44)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2;1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(44)50-35-38(36-51-54(48,49)52-37-39(43)42(46)47)53-41(45)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h28,30,38-39H,3-27,29,31-37,43H2,1-2H3,(H,46,47)(H,48,49);27,29,38-39H,3-26,28,30-37,43H2,1-2H3,(H,46,47)(H,48,49)/b30-28-;29-27-
SMILES CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CC/C=C\CCCCCCCCCCCCC)COP(=O)(O)OCC(C(=O)O)N.CCCCCCCCCCCCCCC/C=C\CCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC)COP(=O)(O)OCC(C(=O)O)N
InChI Key FEISPLZXBVWGKM-WYBPCXTMSA-N
Molecular Formula C84H160N2O20P2
Exact Mass 1579.104 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-UT001719
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T12:58:10.856253
MetadataModified 2025-02-09T08:58:29.682379
MetadataPublished 2016-01-19
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
134729152 PubChem
The data in this table is sourced from UniChem at EBI.