Dataset

Mono-hydroxy-isononyl phthalate

This MassBank record with Accession MSBNK-Antwerp_Univ-AN115536 contains the MS2 mass spectrum of Mono-hydroxy-isononyl phthalate with the InChIkey RWCHSWLUPRJYEX-UHFFFAOYSA-N.

Chemical Info

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-AN115536
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:35:53.486044
MetadataModified 2025-02-08T18:48:44.784126
MetadataPublished 2021-08-06
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.