Dataset

Phosphatidylinositol 16:1-18:2

This MassBank record with Accession MSBNK-Chubu_Univ-UT001228 contains the MS2 mass spectrum of Phosphatidylinositol 16:1-18:2 with the InChIkey JHVZQBRAEVIBML-DVHZKANPSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C43H77O13P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-37(45)55-35(34-54-57(51,52)56-43-41(49)39(47)38(46)40(48)42(43)50)33-53-36(44)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h20,22,25-28,35,38-43,46-50H,3-19,21,23-24,29-34H2,1-2H3,(H,51,52)/b22-20-,27-25-,28-26-/t35?,38-,39-,40+,41-,42-,43-/m1/s1
SMILES C(CC(=O)OCC(OC(CCC=CCC=CCCCCCCCCCC)=O)COP(OC(C1O)C(C(C(C1O)O)O)O)(O)=O)C=CCCCCCCCCCCC
InChI Key JHVZQBRAEVIBML-DVHZKANPSA-N
Molecular Formula C43H77O13P
Exact Mass 832.510 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-UT001228
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T12:48:01.488542
MetadataModified 2024-01-11T12:48:01.670522
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.