Dataset

Mono-(2-ethyl-5-carboxypentyl) phthalate

Chemical Info

InChI	InChI=1S/C16H20O6/c1-2-11(6-5-9-14(17)18)10-22-16(21)13-8-4-3-7-12(13)15(19)20/h3-4,7-8,11H,2,5-6,9-10H2,1H3,(H,17,18)(H,19,20)
SMILES	CCC(CCCC(=O)O)COC(=O)C1=CC=CC=C1C(=O)O
InChI Key	XFGRNAPKLGXDGF-UHFFFAOYSA-N
Molecular Formula	C16H20O6
Exact Mass	308.126 g/mol

Data and Resources

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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI
License URL
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Antwerp_Univ-AN115328
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T09:29:36.130865
MetadataModified	2024-01-11T09:29:36.285946
MetadataPublished	2021-08-06

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
148386	PubChem
31593088	eMolecules
40809-41-4	ACToR
132611	ChEBI
HMDB0094647	Human Metabolome Database
CB11389495	ChemicalBook
DTXSID20873152	EPA CompTox Dashboard
J2.146.229B	Nikkaji
SCHEMBL15647174	SureChEMBL
HY-133675	MedChemExpress
The data in this table is sourced from UniChem at EBI.