Dataset

electron ionisation mass spectrometry (EI-MS)

dataset for electron ionisation mass spectrometry (EI-MS)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C10H13N3/c1-10(2,3)8-4-6-9(7-5-8)12-13-11/h4-7H,1-3H3
SMILES CC(c1ccc(cc1)N=[N+]=[N-])(C)C
InChI Key FPTZBVJQJYUZKV-UHFFFAOYSA-N
Molecular Formula C10H13N3
Exact Mass 175.230 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/FPTZBVJQJYUZKV-UHFFFAOYSA-N/CHMO0000480
License URL
Source https://www.chemotion-repository.net/inchikey/FPTZBVJQJYUZKV-UHFFFAOYSA-N/CHMO0000480
Version
Author Tilman Hans Köhler
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-08T03:48:10.727372
MetadataModified 2024-09-08T03:48:10.727377
MetadataPublished 2024-05-21
Field Value
Measurement Technique electron ionisation mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
J2.558.102D Nikkaji
SCHEMBL243077 SureChEMBL
20336103 PubChem
The data in this table is sourced from UniChem at EBI.