Dataset

Irgarol

This MassBank record with Accession MSBNK-Athens_Univ-AU400801 contains the MS2 mass spectrum of Irgarol with the InChIkey HDHLIWCXDDZUFH-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C11H19N5S/c1-11(2,3)16-9-13-8(12-7-5-6-7)14-10(15-9)17-4/h7H,5-6H2,1-4H3,(H2,12,13,14,15,16)
SMILES CSC1=NC(NC(C)(C)C)=NC(NC2CC2)=N1
InChI Key HDHLIWCXDDZUFH-UHFFFAOYSA-N
Molecular Formula C11H19N5S
Exact Mass 253.136 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU400801
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:49:06.706419
MetadataModified 2024-01-11T09:49:06.884557
MetadataPublished 2015-12-08
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables