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Phosphatidylcholine 18:2-20:5 / 18:3-20:4

URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Chubu_Univ-UT002311

Dataset description:

This MassBank record with Accession MSBNK-Chubu_Univ-UT002311 contains the MS3 mass spectrum of Phosphatidylcholine 18:2-20:5 / 18:3-20:4 with the InChIkey FEZACRKYFXMAHY-MYAPYCJSSA-N.

Source: Phosphatidylcholine 18:2-20:5 / 18:3-20:4

Chemical Info

molecular Image

InChI	InChI=1S/2C46H78NO8P/c2*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/h16,18-19,21-23,26-29,32-35,44H,6-15,17,20,24-25,30-31,36-43H2,1-5H3;10,12,16,18,22-23,26-29,32-35,44H,6-9,11,13-15,17,19-21,24-25,30-31,36-43H2,1-5H3/b18-16-,21-19-,23-22-,28-26-,29-27-,34-32-,35-33-;12-10-,18-16-,23-22-,28-26-,29-27-,34-32-,35-33-
SMILES	CCCCCCCCCC/C=C\C/C=C\CCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC.CCCCCCC/C=C\C/C=C\C/C=C\CCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\CCCCCC
InChI Key	FEZACRKYFXMAHY-MYAPYCJSSA-N
Molecular Formula	C92H156N2O16P2
Exact Mass	1607.093 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	472630c8-6e3e-4ef9-8488-0b9b2c0247c5
Package id	msbnk-chubu_univ-ut002311
Resource type	HTML
State	active