Dataset

Decyl hydrogen phthalate; LC-ESI-QTOF; MS2; 120 V

This MassBank record with Accession MSBNK-BAFG-CSL23111027172 contains the MS2 mass spectrum of Decyl hydrogen phthalate with the InChIkey FEFCILUKYGHITK-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C18H26O4/c1-2-3-4-5-6-7-8-11-14-22-18(21)16-13-10-9-12-15(16)17(19)20/h9-10,12-13H,2-8,11,14H2,1H3,(H,19,20)
SMILES CCCCCCCCCCOC(=O)C1=CC=CC=C1C(=O)O
InChI Key FEFCILUKYGHITK-UHFFFAOYSA-N
Molecular Formula C18H26O4
Exact Mass 306.183 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BAFG-CSL23111027172
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MetadataPublished 2023-11-10
Related Molecule
  • 2-decoxycarbonylbenzoic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    MCULE-5244364253 Mcule
    SCHEMBL302956 SureChEMBL
    24539-60-4 ACToR
    2333697 eMolecules
    90534 PubChem
    14800734 PubChem: Thomson Pharma
    J25.906C Nikkaji
    DTXSID80885271 EPA CompTox Dashboard
    ZINC000002923789 ZINC
    The data in this table is sourced from UniChem at EBI.