Dataset

LTB5

This MassBank record with Accession MSBNK-Chubu_Univ-UT000302 contains the MS2 mass spectrum of LTB5 with the InChIkey BISQPGCQOHLHQK-HDNPQISLSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C20H30O4/c1-2-3-4-5-6-9-13-18(21)14-10-7-8-11-15-19(22)16-12-17-20(23)24/h3-4,6-11,14-15,18-19,21-22H,2,5,12-13,16-17H2,1H3,(H,23,24)/b4-3-,8-7+,9-6-,14-10+,15-11-/t18-,19-/m1/s1
SMILES CCC=CCC=CCC(O)C=CC=CC=CC(O)CCCC(O)=O
InChI Key BISQPGCQOHLHQK-HDNPQISLSA-N
Molecular Formula C20H30O4
Exact Mass 334.214 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-UT000302
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T13:03:04.239548
MetadataModified 2025-02-09T08:59:18.336994
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
1935303 eMolecules
5283125 PubChem
15372615 PubChem: Thomson Pharma
SCHEMBL10041226 SureChEMBL
88493 ChEBI
LMFA03020010 LipidMaps
J373.697K Nikkaji
ZINC000012496517 ZINC
MTBLC88493 Metabolights
HMDB0005073 Human Metabolome Database
The data in this table is sourced from UniChem at EBI.