Dataset

Phosphatidylinositol 16:0-20:4

This MassBank record with Accession MSBNK-Chubu_Univ-UT001225 contains the MS2 mass spectrum of Phosphatidylinositol 16:0-20:4 with the InChIkey QAOYQEIOBPZFPB-VHZSRAIHSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C45H79O13P/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-39(47)57-37(36-56-59(53,54)58-45-43(51)41(49)40(48)42(50)44(45)52)35-55-38(46)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2/h13,15,18-19,22,24,28,30,37,40-45,48-52H,3-12,14,16-17,20-21,23,25-27,29,31-36H2,1-2H3,(H,53,54)/b15-13-,19-18-,24-22-,30-28-/t37?,40-,41-,42+,43-,44-,45-/m1/s1
SMILES C(CCCCCC)=CCC=CCC=CCC=CCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC)COP(O)(=O)OC(C(O)1)C(O)C(O)C(O)C(O)1
InChI Key QAOYQEIOBPZFPB-VHZSRAIHSA-N
Molecular Formula C45H79O13P
Exact Mass 858.526 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Chubu_Univ-UT001225
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T12:47:11.301890
MetadataModified 2024-01-11T12:47:11.452555
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
No additional information available for this Dataset.