Dataset

Phosphatidylinositol 18:1-20:5

This MassBank record with Accession MSBNK-Chubu_Univ-UT001488 contains the MS2 mass spectrum of Phosphatidylinositol 18:1-20:5 with the InChIkey BWTICRGPYJPYOE-PQMBXUDJSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C47H79O13P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(49)59-39(38-58-61(55,56)60-47-45(53)43(51)42(50)44(52)46(47)54)37-57-40(48)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h7,9,13,15,19-20,24,26,29-32,39,42-47,50-54H,3-6,8,10-12,14,16-18,21-23,25,27-28,33-38H2,1-2H3,(H,55,56)/b9-7-,15-13-,20-19-,26-24-,31-29-,32-30-/t39?,42-,43-,44+,45-,46-,47-/m1/s1
SMILES C(CC=CCC=CCC=CCC=CCCC)=CCCC(=O)OC(COP(OC(C(O)1)C(O)C(O)C(O)C1O)(O)=O)COC(CCC=CCCCCCCCCCCCCC)=O
InChI Key BWTICRGPYJPYOE-PQMBXUDJSA-N
Molecular Formula C47H79O13P
Exact Mass 882.526 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-UT001488
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T12:55:22.517549
MetadataModified 2025-02-09T09:00:40.349454
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.