Dataset

ALLYL FORMATE

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP006459 contains the MS mass spectrum of ALLYL FORMATE with the InChIkey ZHHZHHSFKCANOC-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C4H6O2/c1-2-3-6-4-5/h2,4H,1,3H2
SMILES C=CCOC=O
InChI Key ZHHZHHSFKCANOC-UHFFFAOYSA-N
Molecular Formula C4H6O2
Exact Mass 86.037 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-JP006459
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T15:56:03.383835
MetadataModified 2024-01-11T15:56:03.538230
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
6196617 eMolecules
CHEMBL1697703 ChEMBL
61278 PubChem
16471802 PubChem: Thomson Pharma
1838-59-1 ACToR
221812 Brenda
20199056 NMRShiftDB
SCHEMBL2447 SureChEMBL
J1.783C Nikkaji
HMDB0248166 Human Metabolome Database
MCULE-4161785970 Mcule
A9WY6Q0U9C FDA SRS
CB8285997 ChemicalBook
DTXSID4062016 EPA CompTox Dashboard
ZINC000001680373 ZINC
The data in this table is sourced from UniChem at EBI.