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Phosphatidylinositol 18:0-18:2

URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Chubu_Univ-UT001972

Dataset description:

This MassBank record with Accession MSBNK-Chubu_Univ-UT001972 contains the MS2 mass spectrum of Phosphatidylinositol 18:0-18:2 with the InChIkey DJIHJMQVAWUMQB-GRNFJTJUSA-N.

Source: Phosphatidylinositol 18:0-18:2

Chemical Info

molecular Image

InChI	InChI=1S/C45H83O13P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(46)55-35-37(36-56-59(53,54)58-45-43(51)41(49)40(48)42(50)44(45)52)57-39(47)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h22,24,28,30,37,40-45,48-52H,3-21,23,25-27,29,31-36H2,1-2H3,(H,53,54)/b24-22-,30-28-/t37?,40-,41-,42+,43-,44-,45-/m1/s1
SMILES	C(CCCCCC=CCC=CCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCC)COP(O)(=O)OC(C(O)1)C(O)C(O)C(O)C(O)1)CCCC
InChI Key	DJIHJMQVAWUMQB-GRNFJTJUSA-N
Molecular Formula	C45H83O13P
Exact Mass	862.557 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	d8aa5227-3022-4a72-8d3a-ac24476c011b
Package id	msbnk-chubu_univ-ut001972
Resource type	HTML
State	active