Dataset

DEP_178.1226_15.3

This MassBank record with Accession MSBNK-Eawag_Additional_Specs-ET050803 contains the MS2 mass spectrum of DEP_178.1226_15.3 with the InChIkey GLSMSUZWTDVJMA-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C11H15NO/c1-10(12(2)9-13)8-11-6-4-3-5-7-11/h3-7,9-10H,8H2,1-2H3
SMILES CC(CC1=CC=CC=C1)N(C)C=O
InChI Key GLSMSUZWTDVJMA-UHFFFAOYSA-N
Molecular Formula C11H15NO
Exact Mass 177.115 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag_Additional_Specs-ET050803
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T14:49:40.307281
MetadataModified 2025-02-09T11:09:44.102270
MetadataPublished 2016-03-17
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
170705 PubChem
SCHEMBL19658356 SureChEMBL
DTXSID10891587 EPA CompTox Dashboard
J908.168B Nikkaji
15511781 PubChem: Thomson Pharma
PD018177 ProbesDrugs
42932-20-7 ACToR
The data in this table is sourced from UniChem at EBI.