Dataset

Mono-carboxy-isononyl phthalate

This MassBank record with Accession MSBNK-Antwerp_Univ-AN115736 contains the MS2 mass spectrum of Mono-carboxy-isononyl phthalate with the InChIkey IOWADRRGIUUGJH-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C18H24O6/c1-13(9-5-3-2-4-6-12-16(19)20)24-18(23)15-11-8-7-10-14(15)17(21)22/h7-8,10-11,13H,2-6,9,12H2,1H3,(H,19,20)(H,21,22)
SMILES CC(CCCCCCCC(=O)O)OC(=O)C1=CC=CC=C1C(=O)O
InChI Key IOWADRRGIUUGJH-UHFFFAOYSA-N
Molecular Formula C18H24O6
Exact Mass 336.157 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Antwerp_Univ-AN115736
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:30:47.715189
MetadataModified 2024-01-11T09:30:47.890115
MetadataPublished 2021-08-06
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
145459124 PubChem
165209 ChEBI
The data in this table is sourced from UniChem at EBI.