Dataset

9-HpOTrE; LC-ESI-QIT; MS2; CE:25 V; [M-H]-

This MassBank record with Accession MSBNK-Chubu_Univ-UT000265 contains the MS2 mass spectrum of 9-HpOTrE with the InChIkey RWKJTIHNYSIIHW-WYVZXCPWSA-N.

Chemical Information

Molecular Image
InChI InChI=1S/C18H30O4/c1-2-3-4-5-6-8-11-14-17(22-21)15-12-9-7-10-13-16-18(19)20/h3-4,6,8,11,14,17,21H,2,5,7,9-10,12-13,15-16H2,1H3,(H,19,20)/b4-3-,8-6?,14-11+
SMILES CCC=CCC=CC=CC(OO)CCCCCCCC(O)=O
InChI Key RWKJTIHNYSIIHW-WYVZXCPWSA-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-UT000265
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • nfdi4chem-mol55721(Unknown Molecule)
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    177546121 pubchem
    The data in this table is sourced from UniChem at EBI.