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Phosphatidylserine 18:1-22:0 / 20:0-20:1

URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Chubu_Univ-UT001722

Dataset description:

This MassBank record with Accession MSBNK-Chubu_Univ-UT001722 contains the MS3 mass spectrum of Phosphatidylserine 18:1-22:0 / 20:0-20:1 with the InChIkey WBTDLXIGWITFGC-XHNVSXGKSA-N.

Source: Phosphatidylserine 18:1-22:0 / 20:0-20:1

Chemical Info

molecular Image

InChI	InChI=1S/2C46H88NO10P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-45(49)57-42(40-55-58(52,53)56-41-43(47)46(50)51)39-54-44(48)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2;1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-44(48)54-39-42(40-55-58(52,53)56-41-43(47)46(50)51)57-45(49)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h31,33,42-43H,3-30,32,34-41,47H2,1-2H3,(H,50,51)(H,52,53);32,34,42-43H,3-31,33,35-41,47H2,1-2H3,(H,50,51)(H,52,53)/b33-31-;34-32-
SMILES	CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCC=CCCCCCCCCCCCCC)COP(=O)(O)OCC(C(=O)O)N.CCCCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC(C(=O)O)N)OC(=O)CCC=CCCCCCCCCCCCCCCC
InChI Key	WBTDLXIGWITFGC-XHNVSXGKSA-N
Molecular Formula	C92H176N2O20P2
Exact Mass	1691.229 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	2515be35-4168-4d5c-8b34-c091a1df7bb4
Package id	msbnk-chubu_univ-ut001722
Resource type	HTML
State	active