Dataset

N-Despropylpropafenone

This MassBank record with Accession MSBNK-Waters-WA000885 contains the MS mass spectrum of N-Despropylpropafenone with the InChIkey HIGKMVIPYOFHBP-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C18H21NO3/c19-12-15(20)13-22-18-9-5-4-8-16(18)17(21)11-10-14-6-2-1-3-7-14/h1-9,15,20H,10-13,19H2
SMILES NCC(O)COc(c2)c(ccc2)C(=O)CCc(c1)cccc1
InChI Key HIGKMVIPYOFHBP-UHFFFAOYSA-N
Molecular Formula C18H21NO3
Exact Mass 299.152 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-WA000885
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:34:00.103870
MetadataModified 2025-02-09T20:25:12.488950
MetadataPublished 2016-01-19
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
KN087PHW5T FDA SRS
J450.661H Nikkaji
50151857 BindingDB
CHEMBL1365 ChEMBL
128820 PubChem
15493186 PubChem: Thomson Pharma
86383-21-3 ACToR
HMDB0060642 Human Metabolome Database
SCHEMBL15750362 SureChEMBL
The data in this table is sourced from UniChem at EBI.