Dataset

Mono-ethyl phthalate

This MassBank record with Accession MSBNK-Antwerp_Univ-AN115030 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
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Antwerp_Univ-AN115030
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:30:53.358960
MetadataModified 2024-01-11T09:30:53.547933
MetadataPublished 2021-08-06
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
HY-133668 MedChemExpress
233979 Brenda
247470 Brenda
J25.909H Nikkaji
70973 ChEBI
2306-33-4 ACToR
SCHEMBL50234 SureChEMBL
15322327 PubChem: Thomson Pharma
31593100 eMolecules
HMDB0002120 Human Metabolome Database
ZINC000000409879 ZINC
149567 Brenda
DTXSID3052696 EPA CompTox Dashboard
MTBLC70973 Metabolights
75318 PubChem
The data in this table is sourced from UniChem at EBI.