Dataset

METHYL2-FUROATE

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP007744 contains the MS mass spectrum of METHYL2-FUROATE with the InChIkey HDJLSECJEQSPKW-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C6H6O3/c1-8-6(7)5-3-2-4-9-5/h2-4H,1H3
SMILES COC(=O)c(c1)occ1
InChI Key HDJLSECJEQSPKW-UHFFFAOYSA-N
Molecular Formula C6H6O3
Exact Mass 126.032 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-JP007744
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T15:54:58.689784
MetadataModified 2024-01-11T15:54:58.846537
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
14940519 PubChem: Thomson Pharma
SCHEMBL363937 SureChEMBL
480413 eMolecules
O9A8D29YDE FDA SRS
60021450 NMRShiftDB
1334-76-5 ACToR
PD088199 ProbesDrugs
611-13-2 ACToR
11902 PubChem
MCULE-5445948487 Mcule
ZINC000000388192 ZINC
DTXSID7060598 EPA CompTox Dashboard
J7.016E Nikkaji
167081 ChEBI
HY-Y0949 MedChemExpress
METHYL 2-FUROATE rxnorm
CB3306772 ChemicalBook
HMDB0029750 Human Metabolome Database
The data in this table is sourced from UniChem at EBI.