Dataset

2,3-DIMETHYL-5-NITRO-1,7-ETHANOINDOLE

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP002002 contains the MS mass spectrum of 2,3-DIMETHYL-5-NITRO-1,7-ETHANOINDOLE with the InChIkey SJIQRECQRDYYPG-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C12H12N2O2/c1-7-8(2)13-4-3-9-5-10(14(15)16)6-11(7)12(9)13/h5-6H,3-4H2,1-2H3
SMILES [O-1][N+1](=O)c(c3)cc(c(C)1)c(c23)n(CC2)c(C)1
InChI Key SJIQRECQRDYYPG-UHFFFAOYSA-N
Molecular Formula C12H12N2O2
Exact Mass 216.090 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Fac_Eng_Univ_Tokyo-JP002002
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T15:56:31.848763
MetadataModified 2024-01-11T15:56:31.995077
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
612221 PubChem
The data in this table is sourced from UniChem at EBI.