Dataset

Diisononyl hexahydrophthalate

This MassBank record with Accession MSBNK-Antwerp_Univ-AN112704 contains the MS2 mass spectrum of Diisononyl hexahydrophthalate with the InChIkey HORIEOQXBKUKGQ-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C26H48O4/c1-21(2)15-9-5-7-13-19-29-25(27)23-17-11-12-18-24(23)26(28)30-20-14-8-6-10-16-22(3)4/h21-24H,5-20H2,1-4H3
SMILES CC(C)CCCCCCOC(=O)C1CCCCC1C(=O)OCCCCCCC(C)C
InChI Key HORIEOQXBKUKGQ-UHFFFAOYSA-N
Molecular Formula C26H48O4
Exact Mass 424.355 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Antwerp_Univ-AN112704
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:30:19.048807
MetadataModified 2024-01-11T09:30:19.221477
MetadataPublished 2021-08-02
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
16626667 PubChem: Thomson Pharma
SCHEMBL337395 SureChEMBL
166412-78-8 ACToR
11524680 PubChem
H26MNT7GT7 FDA SRS
CHEMBL3182578 ChEMBL
HMDB0244746 Human Metabolome Database
CB93036812 ChemicalBook
DTXSID20274044 EPA CompTox Dashboard
J2.003.784I Nikkaji
The data in this table is sourced from UniChem at EBI.