Dataset

2-Ethyl-4-hydroxyhexylsalicylate; LC-ESI-QTOF; MS2; CE: 30eV; R=7000; [M-H]-

This MassBank record with Accession MSBNK-Antwerp_Univ-AN116330 contains the MS2 mass spectrum of 2-Ethyl-4-hydroxyhexylsalicylate with the InChIkey RRYJOTVSZOKNQZ-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C15H22O4/c1-3-11(9-12(16)4-2)10-19-15(18)13-7-5-6-8-14(13)17/h5-8,11-12,16-17H,3-4,9-10H2,1-2H3
SMILES CCC(O)CC(CC)COC(=O)c1ccccc1O
InChI Key RRYJOTVSZOKNQZ-UHFFFAOYSA-N
Molecular Formula C15H22O4
Exact Mass 266.152 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Antwerp_Univ-AN116330
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MetadataPublished 2021-08-06
Related Molecule
  • (2-ethyl-4-hydroxyhexyl) 2-hydroxybenzoate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    162420303 PubChem
    The data in this table is sourced from UniChem at EBI.