Dataset

5-Hydroxypropafenone

This MassBank record with Accession MSBNK-Waters-WA002854 contains the MS mass spectrum of 5-Hydroxypropafenone with the InChIkey LUTWDNUXHDYZRA-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C21H27NO4/c1-2-12-22-14-18(24)15-26-21-11-9-17(23)13-19(21)20(25)10-8-16-6-4-3-5-7-16/h3-7,9,11,13,18,22-24H,2,8,10,12,14-15H2,1H3
SMILES CCCNCC(O)COc(c2)c(cc(O)c2)C(=O)CCc(c1)cccc1
InChI Key LUTWDNUXHDYZRA-UHFFFAOYSA-N
Molecular Formula C21H27NO4
Exact Mass 357.194 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA002854
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:50:22.393081
MetadataModified 2024-01-11T22:50:22.568489
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
J258.552I Nikkaji
50134995 BindingDB
171897 ChEBI
7AC8BF38NP FDA SRS
CHEMBL1264 ChEMBL
107927 PubChem
PD102152 ProbesDrugs
15423384 PubChem: Thomson Pharma
SCHEMBL2739132 SureChEMBL
86384-10-3 ACToR
HMDB0060988 Human Metabolome Database
The data in this table is sourced from UniChem at EBI.