Dataset

mass spectrometry (MS)

dataset for mass spectrometry (MS)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C7H7N/c1-2-7-4-3-5-8-6-7/h2-6H,1H2
SMILES C=Cc1cccnc1
InChI Key DPZYLEIWHTWHCU-UHFFFAOYSA-N
Molecular Formula C7H7N
Exact Mass 105.137 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/DPZYLEIWHTWHCU-UHFFFAOYSA-N/CHMO0000470
License URL
Source https://www.chemotion-repository.net/inchikey/DPZYLEIWHTWHCU-UHFFFAOYSA-N/CHMO0000470
Version
Author Yichuan Wang
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T08:02:42.375036
MetadataModified 2024-09-07T23:55:45.976048
MetadataPublished 2022-12-07
Field Value
Measurement Technique mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
1846068 eMolecules
60030255 NMRShiftDB
R9ZU09Z27A FDA SRS
1121-55-7 ACToR
14747455 PubChem: Thomson Pharma
SCHEMBL20995 SureChEMBL
CB8143912 ChemicalBook
DTXSID90149912 EPA CompTox Dashboard
ZINC000002039882 ZINC
J100.785H Nikkaji
14272 PubChem
The data in this table is sourced from UniChem at EBI.