Dataset

Monocyclohexyl phthalate

This MassBank record with Accession MSBNK-Antwerp_Univ-AN114925 contains the MS2 mass spectrum of Monocyclohexyl phthalate with the InChIkey PMDKYLLIOLFQPO-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C14H16O4/c15-13(16)11-8-4-5-9-12(11)14(17)18-10-6-2-1-3-7-10/h4-5,8-10H,1-3,6-7H2,(H,15,16)
SMILES C1CCC(CC1)OC(=O)C2=CC=CC=C2C(=O)O
InChI Key PMDKYLLIOLFQPO-UHFFFAOYSA-N
Molecular Formula C14H16O4
Exact Mass 248.105 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Antwerp_Univ-AN114925
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:35:53.897688
MetadataModified 2024-01-11T09:35:54.081146
MetadataPublished 2021-08-06
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
31593092 eMolecules
165618 PubChem
J31.502H Nikkaji
247468 Brenda
HMDB0254852 Human Metabolome Database
SCHEMBL109766 SureChEMBL
7517-36-4 ACToR
1335-63-3 ACToR
MTBLC132609 Metabolights
DTXSID3052729 EPA CompTox Dashboard
ZINC000003095557 ZINC
132609 ChEBI
The data in this table is sourced from UniChem at EBI.