Dataset

2-PROPIONYLTHIOPHENE

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP007780 contains the MS mass spectrum of 2-PROPIONYLTHIOPHENE with the InChIkey MFPZQZZWAMAHOY-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C7H8OS/c1-2-6(8)7-4-3-5-9-7/h3-5H,2H2,1H3
SMILES CCC(=O)c(c1)scc1
InChI Key MFPZQZZWAMAHOY-UHFFFAOYSA-N
Molecular Formula C7H8OS
Exact Mass 140.030 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-JP007780
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T15:55:40.685456
MetadataModified 2024-01-11T15:55:40.866148
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
26179 PubChem
173590 ChEBI
CHEMBL4453282 ChEMBL
J45.609H Nikkaji
20200780 NMRShiftDB
MCULE-6810531901 Mcule
ZINC000000159604 ZINC
DTXSID70159933 EPA CompTox Dashboard
HMDB0033159 Human Metabolome Database
CB2189989 ChemicalBook
594767 eMolecules
13679-75-9 ACToR
NY658TVP5M FDA SRS
16361371 PubChem: Thomson Pharma
SCHEMBL1232758 SureChEMBL
43039-99-2 ACToR
The data in this table is sourced from UniChem at EBI.