Dataset

Simazine-2-Hydroxy

This MassBank record with Accession MSBNK-Athens_Univ-AU207906 contains the MS2 mass spectrum of Simazine-2-Hydroxy with the InChIkey YQIXRXMOJFQVBV-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C7H13N5O/c1-3-8-5-10-6(9-4-2)12-7(13)11-5/h3-4H2,1-2H3,(H3,8,9,10,11,12,13)
SMILES CCNC1=NC(NCC)=NC(O)=N1
InChI Key YQIXRXMOJFQVBV-UHFFFAOYSA-N
Molecular Formula C7H13N5O
Exact Mass 183.112 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU207906
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:54:11.161147
MetadataModified 2025-02-08T19:04:18.031129
MetadataPublished 2019-05-30
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
J113.334I Nikkaji
83476 ChEBI
DTXSID6062547 EPA CompTox Dashboard
2MHC1OXH2M FDA SRS
ZINC000013542451 ZINC
MTBLC83476 Metabolights
101809 Brenda
69518 Brenda
135408659 PubChem
SCHEMBL4124952 SureChEMBL
2599-11-3 ACToR
35870393 eMolecules
The data in this table is sourced from UniChem at EBI.