Dataset

13-HOTrE(r)

This MassBank record with Accession MSBNK-Chubu_Univ-UT000046 contains the MS2 mass spectrum of 13-HOTrE(r) with the InChIkey HNBLUNXZQNJFRB-KYLWABQHSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C18H30O3/c1-2-3-11-14-17(19)15-12-9-7-5-4-6-8-10-13-16-18(20)21/h4,6-7,9,12,15,17,19H,2-3,5,8,10-11,13-14,16H2,1H3,(H,20,21)/b6-4-,9-7-,15-12+/t17-/m0/s1
SMILES CCCCCC(O)C=CC=CCC=CCCCCC(O)=O
InChI Key HNBLUNXZQNJFRB-KYLWABQHSA-N
Molecular Formula C18H30O3
Exact Mass 294.219 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-UT000046
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T12:47:39.368030
MetadataModified 2024-01-11T12:47:39.583063
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
LMFA02000173 LipidMaps
ZINC000008860470 ZINC
1935239 eMolecules
5282971 PubChem
74784-20-6 ACToR
PD020942 ProbesDrugs
J1.919.249K Nikkaji
SCHEMBL4629300 SureChEMBL
165777 ChEBI
The data in this table is sourced from UniChem at EBI.