Dataset

Phosphatidylserine 19:0-22:6

This MassBank record with Accession MSBNK-Chubu_Univ-UT002366 contains the MS3 mass spectrum of Phosphatidylserine 19:0-22:6 with the InChIkey VTYPPTYVZDGPRL-MJUGNSTCSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C48H82NO9P/c1-4-6-8-10-12-14-16-18-20-22-23-24-26-28-30-32-34-36-38-40-48(52)58-45(42-56-59(53,54)57-43-46(49)44(3)50)41-55-47(51)39-37-35-33-31-29-27-25-21-19-17-15-13-11-9-7-5-2/h6,8,12,14,18,20,23-24,28,30,34,36,45-46H,4-5,7,9-11,13,15-17,19,21-22,25-27,29,31-33,35,37-43,49H2,1-3H3,(H,53,54)/b8-6-,14-12-,20-18-,24-23-,30-28-,36-34-
SMILES C(CCCCC(OCC(OC(CCC=CCC=CCC=CCC=CCC=CCC=CCC)=O)COP(O)(=O)OCC(C(C)=O)N)=O)CCCCCCCCCCCCC
InChI Key VTYPPTYVZDGPRL-MJUGNSTCSA-N
Molecular Formula C48H82NO9P
Exact Mass 847.573 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-UT002366
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T12:48:12.966231
MetadataModified 2024-01-11T12:48:13.124272
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
134774318 PubChem
The data in this table is sourced from UniChem at EBI.