Dataset

Phosphatidylinositol lyso 18:0

This MassBank record with Accession MSBNK-Chubu_Univ-UT001245 contains the MS2 mass spectrum of Phosphatidylinositol lyso 18:0 with the InChIkey AGVRWBBFKKEVAX-WAPMBQLLSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C27H53O12P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(29)38-20(18-28)19-37-40(35,36)39-27-25(33)23(31)22(30)24(32)26(27)34/h20,22-28,30-34H,2-19H2,1H3,(H,35,36)/t20?,22-,23-,24+,25-,26-,27-/m1/s1
SMILES O(P(O)(=O)OCC(CO)OC(=O)CCCCCCCCCCCCCCCCC)C(C1O)C(C(C(C1O)O)O)O
InChI Key AGVRWBBFKKEVAX-WAPMBQLLSA-N
Molecular Formula C27H53O12P
Exact Mass 600.327 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-UT001245
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T12:49:38.035954
MetadataModified 2025-02-09T09:04:33.623904
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.