Dataset

DEP_174.1277_10.3

This MassBank record with Accession MSBNK-Eawag_Additional_Specs-ET050302 contains the MS2 mass spectrum of DEP_174.1277_10.3 with the InChIkey UUFAJPMQSFXDFR-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C12H15N/c1-3-9-13-11(2)10-12-7-5-4-6-8-12/h1,4-8,11,13H,9-10H2,2H3
SMILES CC(CC1=CC=CC=C1)NCC#C
InChI Key UUFAJPMQSFXDFR-UHFFFAOYSA-N
Molecular Formula C12H15N
Exact Mass 173.120 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-ET050302
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T14:49:37.179594
MetadataModified 2025-02-09T11:07:30.116582
MetadataPublished 2016-03-17
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
CHEMBL1276 ChEMBL
MCULE-1120354174 Mcule
HMDB0251060 Human Metabolome Database
J413.906B Nikkaji
200718 PubChem
PD074761 ProbesDrugs
14748214 PubChem: Thomson Pharma
SCHEMBL4543249 SureChEMBL
18913-84-3 ACToR
10474922 eMolecules
DTXSID30891483 EPA CompTox Dashboard
The data in this table is sourced from UniChem at EBI.