Dataset

DIETHYL MALEATE

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP004044 contains the MS mass spectrum of DIETHYL MALEATE with the InChIkey IEPRKVQEAMIZSS-WAYWQWQTSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C8H12O4/c1-3-11-7(9)5-6-8(10)12-4-2/h5-6H,3-4H2,1-2H3/b6-5-
SMILES CCOC(=O)C=CC(=O)OCC
InChI Key IEPRKVQEAMIZSS-WAYWQWQTSA-N
Molecular Formula C8H12O4
Exact Mass 172.074 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Fac_Eng_Univ_Tokyo-JP004044
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T15:55:24.046225
MetadataModified 2024-01-11T15:55:24.241445
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
525243 eMolecules
15165198 PubChem: Thomson Pharma
68508 ChEBI
CHEMBL2037000 ChEMBL
G81WQB56OL FDA SRS
PD088336 ProbesDrugs
ZINC000100004207 ZINC
HMDB0038601 Human Metabolome Database
DTXSID8020464 EPA CompTox Dashboard
10007821 NMRShiftDB
J5.802E Nikkaji
SCHEMBL60423 SureChEMBL
5271566 PubChem
The data in this table is sourced from UniChem at EBI.