Dataset

13-HpOTrE(r)

This MassBank record with Accession MSBNK-Chubu_Univ-UT000078 contains the MS2 mass spectrum of 13-HpOTrE(r) with the InChIkey LYFGXCQTRBQQMX-KYLWABQHSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C18H30O4/c1-2-3-11-14-17(22-21)15-12-9-7-5-4-6-8-10-13-16-18(19)20/h4,6-7,9,12,15,17,21H,2-3,5,8,10-11,13-14,16H2,1H3,(H,19,20)/b6-4-,9-7-,15-12+/t17-/m0/s1
SMILES CCCCCC(OO)C=CC=CCC=CCCCCC(O)=O
InChI Key LYFGXCQTRBQQMX-KYLWABQHSA-N
Molecular Formula C18H30O4
Exact Mass 310.214 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-UT000078
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T12:49:29.945825
MetadataModified 2024-01-11T12:49:30.096138
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
157912 Brenda
ZINC000064858276 ZINC
73242172 PubChem
PD020936 ProbesDrugs
The data in this table is sourced from UniChem at EBI.