Dataset

Mono(2-propyl-6-carboxyhexyl) phthalate

This MassBank record with Accession MSBNK-Antwerp_Univ-AN114333 contains the MS2 mass spectrum of Mono(2-propyl-6-carboxyhexyl) phthalate with the InChIkey DPQMLPCFIOCYFY-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C18H24O6/c1-2-7-13(8-3-6-11-16(19)20)12-24-18(23)15-10-5-4-9-14(15)17(21)22/h4-5,9-10,13H,2-3,6-8,11-12H2,1H3,(H,19,20)(H,21,22)
SMILES CCCC(CCCCC(=O)O)COC(=O)c1ccccc1C(=O)O
InChI Key DPQMLPCFIOCYFY-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-AN114333
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:30:40.559096
MetadataModified 2024-01-11T09:30:40.726904
MetadataPublished 2021-08-05
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
139036037 PubChem
The data in this table is sourced from UniChem at EBI.