Dataset

Mono-hydroxy-isononyl phthalate; LC-ESI-QTOF; MS2; CE: 55eV; R=7000; [M-H]-

This MassBank record with Accession MSBNK-Antwerp_Univ-AN115535 contains the MS2 mass spectrum of Mono-hydroxy-isononyl phthalate with the InChIkey RWCHSWLUPRJYEX-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C17H24O5/c1-12(9-10-13(2)18)6-5-11-22-17(21)15-8-4-3-7-14(15)16(19)20/h3-4,7-8,12-13,18H,5-6,9-11H2,1-2H3,(H,19,20)
SMILES CC(O)CCC(C)CCCOC(=O)C1=CC=CC=C1C(O)=O
InChI Key RWCHSWLUPRJYEX-UHFFFAOYSA-N
Molecular Formula C17H24O5
Exact Mass 308.162 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-AN115535
Version
Author
Maintainer
Language
MetadataPublished 2021-08-06
Related Molecule
  • 2-(7-hydroxy-4-methyloctoxy)carbonylbenzoic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    102401880 PubChem
    J2.437.634F Nikkaji
    The data in this table is sourced from UniChem at EBI.