Dataset

Phosphatidylinositol 16:0-18:1

This MassBank record with Accession MSBNK-Chubu_Univ-UT001964 contains the MS2 mass spectrum of Phosphatidylinositol 16:0-18:1 with the InChIkey IBBOEPTXNHPBRH-AFOMSZMQSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C43H81O13P/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/h26,28,35,38-43,46-50H,3-25,27,29-34H2,1-2H3,(H,51,52)/b28-26-/t35?,38-,39-,40+,41-,42-,43-/m1/s1
SMILES C(CCC(=O)OCC(OC(=O)CCC=CCCCCCCCCCCCCC)COP(OC(C1O)C(C(C(C1O)O)O)O)(O)=O)CCCCCCCCCCCC
InChI Key IBBOEPTXNHPBRH-AFOMSZMQSA-N
Molecular Formula C43H81O13P
Exact Mass 836.541 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-UT001964
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T13:03:16.364515
MetadataModified 2025-02-09T08:59:26.068389
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
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