Dataset

Mono-ethyl phthalate

This MassBank record with Accession MSBNK-Antwerp_Univ-AN115026 contains the MS2 mass spectrum of Mono-ethyl phthalate with the InChIkey YWWHKOHZGJFMIE-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C10H10O4/c1-2-14-10(13)8-6-4-3-5-7(8)9(11)12/h3-6H,2H2,1H3,(H,11,12)
SMILES CCOC(=O)C1=CC=CC=C1C(=O)O
InChI Key YWWHKOHZGJFMIE-UHFFFAOYSA-N
Molecular Formula C10H10O4
Exact Mass 194.058 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-AN115026
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:40:57.596794
MetadataModified 2025-02-08T18:49:45.074719
MetadataPublished 2021-08-06
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
70973 ChEBI
2306-33-4 ACToR
SCHEMBL50234 SureChEMBL
15322327 PubChem: Thomson Pharma
31593100 eMolecules
149567 Brenda
HMDB0002120 Human Metabolome Database
MTBLC70973 Metabolights
HY-133668 MedChemExpress
ZINC000000409879 ZINC
DTXSID3052696 EPA CompTox Dashboard
233979 Brenda
247470 Brenda
J25.909H Nikkaji
75318 PubChem
The data in this table is sourced from UniChem at EBI.