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Phosphatidylcholine 20:2-22:6

URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Chubu_Univ-UT002322

Dataset description:

This MassBank record with Accession MSBNK-Chubu_Univ-UT002322 contains the MS3 mass spectrum of Phosphatidylcholine 20:2-22:6 with the InChIkey IFGVQRXZWAJKEC-BXNVUMEESA-N.

Source: Phosphatidylcholine 20:2-22:6

Chemical Info

molecular Image

InChI	InChI=1S/C50H84NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-27-29-31-33-35-37-39-41-43-50(53)59-48(47-58-60(54,55)57-45-44-51(3,4)5)46-56-49(52)42-40-38-36-34-32-30-28-26-23-21-19-17-15-13-11-9-7-2/h8,10,14,16,20,22,25,27,30-33,36-39,48H,6-7,9,11-13,15,17-19,21,23-24,26,28-29,34-35,40-47H2,1-5H3/b10-8-,16-14-,22-20-,27-25-,32-30-,33-31-,38-36-,39-37-
SMILES	P(OCC(OC(=O)CCC=CCC=CCC=CCC=CCC=CCC=CCC)COC(=O)CCC=CCC=CCCCCCCCCCCCC)(OCC[N+1](C)(C)C)([O-1])=O
InChI Key	IFGVQRXZWAJKEC-BXNVUMEESA-N
Molecular Formula	C50H84NO8P
Exact Mass	857.593 g/mol

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Additional Information

Field	Value
Data last updated	January 11, 2024
Metadata last updated	January 11, 2024
Created	January 11, 2024
Format	HTML
License	Attribution-NonCommercial-ShareAlike 4.0 International (CC BY-NC-SA 4.0)
Id	ef4b4577-21bb-4d1c-a6de-688a7df88288
Package id	msbnk-chubu_univ-ut002322
Resource type	HTML
State	active