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

URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Chubu_Univ-UT003131

Dataset description:

This MassBank record with Accession MSBNK-Chubu_Univ-UT003131 contains the MS3 mass spectrum of Phosphatidylcholine 18:0-20:1 / 16:0-22:1 with the InChIkey MJDRAVBGNHBSNL-SVYOJJJHSA-N.

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

Chemical Info

molecular Image

InChI	InChI=1S/2C46H90NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-27-29-31-33-35-37-39-46(49)55-44(43-54-56(50,51)53-41-40-47(3,4)5)42-52-45(48)38-36-34-32-30-28-26-19-17-15-13-11-9-7-2;1-6-8-10-12-14-16-18-20-22-23-25-27-29-31-33-35-37-39-46(49)55-44(43-54-56(50,51)53-41-40-47(3,4)5)42-52-45(48)38-36-34-32-30-28-26-24-21-19-17-15-13-11-9-7-2/h233,35,44H,6-32,34,36-43H2,1-5H3/b235-33-
SMILES	CCCCCCCCCCCCCCCCC/C=C\CCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C.CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CC/C=C\CCCCCCCCCCCCCCC
InChI Key	MJDRAVBGNHBSNL-SVYOJJJHSA-N
Molecular Formula	C92H180N2O16P2
Exact Mass	1631.281 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	a14ed4a3-4ce3-4305-a98f-99543b776177
Package id	msbnk-chubu_univ-ut003131
Resource type	HTML
State	active