Dataset

Atrazine

This MassBank record with Accession MSBNK-AGILENT-AG000025 contains the MS2 mass spectrum of Atrazine with the InChIkey MXWJVTOOROXGIU-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C8H14ClN5/c1-4-10-7-12-6(9)13-8(14-7)11-5(2)3/h5H,4H2,1-3H3,(H2,10,11,12,13,14)
SMILES CCNC1N=C(Cl)N=C(NC(C)C)N=1
InChI Key MXWJVTOOROXGIU-UHFFFAOYSA-N
Molecular Formula C8H14ClN5
Exact Mass 215.094 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-AGILENT-AG000025
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:29:07.156863
MetadataModified 2024-01-11T09:29:07.335630
MetadataPublished 2023-02-17
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
15930 ChEBI
ATZ PDBe
DB07392 DrugBank
C06551 KEGG Ligand
CHEMBL15063 ChEMBL
495715 eMolecules
2256 PubChem
PORJIR CCDC
J3.685D Nikkaji
MCULE-1965771911 Mcule
15172027 PubChem: Thomson Pharma
60027796 NMRShiftDB
PD005295 ProbesDrugs
QJA9M5H4IM FDA SRS
11121-31-6 ACToR
1912-24-9 ACToR
SCHEMBL36936 SureChEMBL
LSM-18990 LINCS
HY-N7091 MedChemExpress
ZINC000003078958 ZINC
DTXSID9020112 EPA CompTox Dashboard
SCHEMBL21045984 SureChEMBL
15930 Rhea
1113 Brenda
CB3349447 ChemicalBook
CB6349448 ChemicalBook
HMDB0041830 Human Metabolome Database
The data in this table is sourced from UniChem at EBI.