Dataset

Phosphatidylserine 18:1-18:1

This MassBank record with Accession MSBNK-Chubu_Univ-UT002241 contains the MS2 mass spectrum of Phosphatidylserine 18:1-18:1 with the InChIkey JTUPNPXBWXOEFZ-ZUELCTOOSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C42H78NO10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(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/h27-30,38-39H,3-26,31-37,43H2,1-2H3,(H,46,47)(H,48,49)/b29-27-,30-28-
SMILES O(C(CCC=CCCCCCCCCCCCCC)=O)C(COC(CCC=CCCCCCCCCCCCCC)=O)COP(OCC(N)C(O)=O)(O)=O
InChI Key JTUPNPXBWXOEFZ-ZUELCTOOSA-N
Molecular Formula C42H78NO10P
Exact Mass 787.536 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-UT002241
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T12:46:23.159864
MetadataModified 2024-01-11T12:46:23.332597
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
134742365 PubChem
The data in this table is sourced from UniChem at EBI.