Dataset

Aminocarb

This MassBank record with Accession MSBNK-Eawag-EQ01120203 contains the MS2 mass spectrum of Aminocarb with the InChIkey IMIDOCRTMDIQIJ-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C11H16N2O2/c1-8-7-9(15-11(14)12-2)5-6-10(8)13(3)4/h5-7H,1-4H3,(H,12,14)
SMILES CC1=C(C=CC(=C1)OC(=O)NC)N(C)C
InChI Key IMIDOCRTMDIQIJ-UHFFFAOYSA-N
Molecular Formula C11H16N2O2
Exact Mass 208.121 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ01120203
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T13:34:38.987414
MetadataModified 2025-02-09T10:32:59.178163
MetadataPublished 2023-04-27
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
DTXSID7022172 EPA CompTox Dashboard
HMDB0248310 Human Metabolome Database
J55.517G Nikkaji
C11071 KEGG Ligand
CHEMBL1079605 ChEMBL
2653 ChEBI
28337 Brenda
ZINC000000900761 ZINC
16247 PubChem
767M03K32Y FDA SRS
16936960 PubChem: Thomson Pharma
SCHEMBL119059 SureChEMBL
2032-59-9 ACToR
509520 eMolecules
The data in this table is sourced from UniChem at EBI.