Dataset

1-palmitoyl-2-linoleoyl-sn-glycero-3-phosphoethanol

This MassBank record with Accession MSBNK-Antwerp_Univ-METOX_N110127_B8BB contains the MS2 mass spectrum of 1-palmitoyl-2-linoleoyl-sn-glycero-3-phosphoethanol with the InChIkey PVQVBWDPYRLAQO-MNEVVFTPSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C39H73O8P/c1-4-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-39(41)47-37(36-46-48(42,43)45-6-3)35-44-38(40)33-31-29-27-25-23-21-18-16-14-12-10-8-5-2/h13,15,19-20,37H,4-12,14,16-18,21-36H2,1-3H3,(H,42,43)/b15-13+,20-19-/t37-/m1/s1
SMILES O=C(O[C@@H](COP(O)(=O)OCC)COC(=O)CCCCCCCCCCCCCCC)CCCCCCC/C=C\C\C=C\CCCCC
InChI Key PVQVBWDPYRLAQO-MNEVVFTPSA-N
Molecular Formula C39H73O8P
Exact Mass 700.504 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Antwerp_Univ-METOX_N110127_B8BB
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:38:33.147980
MetadataModified 2025-02-08T18:51:40.228354
MetadataPublished 2022-04-21
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
168476555 PubChem
The data in this table is sourced from UniChem at EBI.