Dataset

mass spectrometry (MS)

dataset for mass spectrometry (MS)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C9H10N2/c1-3-8(10-5-1)7-9-4-2-6-11-9/h1-6,10-11H,7H2
SMILES c1ccc([nH]1)Cc1ccc[nH]1
InChI Key PBTPREHATAFBEN-UHFFFAOYSA-N
Molecular Formula C9H10N2
Exact Mass 146.189 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/PBTPREHATAFBEN-UHFFFAOYSA-N/CHMO0000470
License URL
Source https://www.chemotion-repository.net/inchikey/PBTPREHATAFBEN-UHFFFAOYSA-N/CHMO0000470
Version
Author Stefan Marschner
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T01:45:22.360266
MetadataModified 2024-09-07T16:04:23.587350
MetadataPublished 2019-08-15
Field Value
Measurement Technique mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
21211-65-4 ACToR
SCHEMBL79201 SureChEMBL
15194660 PubChem: Thomson Pharma
20898 Brenda
140814 PubChem
550539 eMolecules
36319 ChEBI
J817.249H Nikkaji
ZINC000002519489 ZINC
MINGEX CCDC
CB41456420 ChemicalBook
MCULE-2564387920 Mcule
DTXSID40175443 EPA CompTox Dashboard
The data in this table is sourced from UniChem at EBI.