Dataset

CROTONIC ACID METHYL ESTER

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP007423 contains the MS mass spectrum of CROTONIC ACID METHYL ESTER with the InChIkey MCVVUJPXSBQTRZ-ONEGZZNKSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C5H8O2/c1-3-4-5(6)7-2/h3-4H,1-2H3/b4-3+
SMILES CC=CC(=O)OC
InChI Key MCVVUJPXSBQTRZ-ONEGZZNKSA-N
Molecular Formula C5H8O2
Exact Mass 100.052 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-JP007423
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T15:56:52.288953
MetadataModified 2024-01-11T15:56:52.488426
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
CB9745331 ChemicalBook
DTXSID10878813 EPA CompTox Dashboard
HMDB0302473 Human Metabolome Database
J183.087B Nikkaji
J43.555D Nikkaji
CHEMBL3273387 ChEMBL
ZINC000001561844 ZINC
SCHEMBL37099 SureChEMBL
638132 PubChem
10016830 NMRShiftDB
14793671 PubChem: Thomson Pharma
623-43-8 ACToR
3T02JIH93S FDA SRS
481444 eMolecules
The data in this table is sourced from UniChem at EBI.