Dataset

Phosphatidylinositol 18:0-20:4

This MassBank record with Accession MSBNK-Chubu_Univ-UT002223 contains the MS2 mass spectrum of Phosphatidylinositol 18:0-20:4 with the InChIkey QTBZDDLLDFZGQX-KVUJAYRISA-N.

Chemical Info

molecular Image
InChI InChI=1S/C47H83O13P/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/h13,15,19-20,24,26,30,32,39,42-47,50-54H,3-12,14,16-18,21-23,25,27-29,31,33-38H2,1-2H3,(H,55,56)/b15-13-,20-19-,26-24-,32-30-/t39?,42-,43-,44+,45-,46-,47-/m1/s1
SMILES C(CCCC=CCC=CCC=CCC=CCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCC)COP(OC(C(O)1)C(O)C(C(O)C(O)1)O)(O)=O)CC
InChI Key QTBZDDLLDFZGQX-KVUJAYRISA-N
Molecular Formula C47H83O13P
Exact Mass 886.557 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-UT002223
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T13:02:03.105085
MetadataModified 2025-02-09T09:01:23.338206
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.