Dataset

LTB4_20-Hydroxy

This MassBank record with Accession MSBNK-Chubu_Univ-UT000295 contains the MS2 mass spectrum of LTB4_20-Hydroxy with the InChIkey PTJFJXLGRSTECQ-PSPARDEHSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C20H32O5/c21-17-10-6-2-1-3-7-12-18(22)13-8-4-5-9-14-19(23)15-11-16-20(24)25/h3-5,7-9,13-14,18-19,21-23H,1-2,6,10-12,15-17H2,(H,24,25)/b5-4+,7-3-,13-8+,14-9-/t18-,19-/m1/s1
SMILES OCCCCCC=CCC(O)C=CC=CC=CC(O)CCCC(O)=O
InChI Key PTJFJXLGRSTECQ-PSPARDEHSA-N
Molecular Formula C20H32O5
Exact Mass 352.225 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-UT000295
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T12:49:25.232946
MetadataModified 2025-02-09T08:59:23.139482
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
5280745 PubChem
60020870 NMRShiftDB
15002239 PubChem: Thomson Pharma
PD021022 ProbesDrugs
539199 eMolecules
ZINC000004629872 ZINC
HMDB0001509 Human Metabolome Database
MTBLC15646 Metabolights
SCHEMBL142275 SureChEMBL
C04853 KEGG Ligand
CHEMBL1593789 ChEMBL
15646 ChEBI
85696 BindingDB
3399 Guide to Pharmacology
J337.434C Nikkaji
LMFA03020018 LipidMaps
The data in this table is sourced from UniChem at EBI.