Dataset

2-BUTYN-1-OL

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP009974 contains the MS mass spectrum of 2-BUTYN-1-OL with the InChIkey NEEDEQSZOUAJMU-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C4H6O/c1-2-3-4-5/h5H,4H2,1H3
SMILES CC#CCO
InChI Key NEEDEQSZOUAJMU-UHFFFAOYSA-N
Molecular Formula C4H6O
Exact Mass 70.042 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-JP009974
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T15:55:53.972351
MetadataModified 2024-01-11T15:55:54.131040
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
487073 eMolecules
SCHEMBL83772 SureChEMBL
J102.122B Nikkaji
10016648 NMRShiftDB
764-01-2 ACToR
12991 PubChem
15321020 PubChem: Thomson Pharma
ZINC000001756139 ZINC
US5293942K FDA SRS
DTXSID8022115 EPA CompTox Dashboard
CB8467261 ChemicalBook
90991 Brenda
The data in this table is sourced from UniChem at EBI.