Dataset

Phosphatidylinositol 18:1-18:0

This MassBank record with Accession MSBNK-Chubu_Univ-UT001486 contains the MS2 mass spectrum of Phosphatidylinositol 18:1-18:0 with the InChIkey WQMQEJCRDIIRGN-VWFGVUABSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C45H85O13P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(46)55-35-37(36-56-59(53,54)58-45-43(51)41(49)40(48)42(50)44(45)52)57-39(47)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h27,29,37,40-45,48-52H,3-26,28,30-36H2,1-2H3,(H,53,54)/b29-27-/t37?,40-,41-,42+,43-,44-,45-/m1/s1
SMILES C(CCCCCCCC)CCCCC=CCCC(=O)OCC(COP(OC(C(O)1)C(O)C(O)C(O)C(O)1)(O)=O)OC(CCCCCCCCCCCCCCCCC)=O
InChI Key WQMQEJCRDIIRGN-VWFGVUABSA-N
Molecular Formula C45H85O13P
Exact Mass 864.573 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-UT001486
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T12:47:11.700496
MetadataModified 2024-01-11T12:47:11.868031
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.