Dataset

Phosphatidylcholine alkyl 16:0-22:1 / alkyl 18:0-20:1 / alkyl 18:1-20:0

This MassBank record with Accession MSBNK-Chubu_Univ-UT002436 contains the MS3 mass spectrum of Phosphatidylcholine alkyl 16:0-22:1 / alkyl 18:0-20:1 / alkyl 18:1-20:0 with the InChIkey JISWWIQTNBGJKT-PJZGFHNDSA-N.

Chemical Info

molecular Image
InChI InChI=1S/3C46H92NO7P/c1-6-8-10-12-14-16-18-20-22-23-24-25-26-27-29-31-33-35-37-39-46(48)54-45(44-53-55(49,50)52-42-40-47(3,4)5)43-51-41-38-36-34-32-30-28-21-19-17-15-13-11-9-7-2;2*1-6-8-10-12-14-16-18-20-22-24-25-27-29-31-33-35-37-39-46(48)54-45(44-53-55(49,50)52-42-40-47(3,4)5)43-51-41-38-36-34-32-30-28-26-23-21-19-17-15-13-11-9-7-2/h2*33,35,45H,6-32,34,36-44H2,1-5H3;32,34,45H,6-31,33,35-44H2,1-5H3/b2*35-33-;34-32-
SMILES CCCCCCCCCCCCCCCCCCCC(=O)OC(COCCC/C=C\CCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C.CCCCCCCCCCCCCCCCCCOCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CC/C=C\CCCCCCCCCCCCCCC.CCCCCCCCCCCCCCCCC/C=C\CCC(=O)OC(COCCCCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C
InChI Key JISWWIQTNBGJKT-PJZGFHNDSA-N
Molecular Formula C138H276N3O21P3
Exact Mass 2404.983 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-UT002436
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T12:47:31.157935
MetadataModified 2025-02-09T09:00:06.167143
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
134741072 PubChem
The data in this table is sourced from UniChem at EBI.