Dataset

Paichongding

This MassBank record with Accession MSBNK-Eawag-EQ01128913 contains the MS2 mass spectrum of Paichongding with the InChIkey MOTGVPXRLDDMSK-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C17H23ClN4O3/c1-3-8-25-15-9-12(2)16(22(23)24)17-20(6-7-21(15)17)11-13-4-5-14(18)19-10-13/h4-5,10,12,15H,3,6-9,11H2,1-2H3
SMILES CCCOC1CC(C(=C2N1CCN2CC3=CN=C(C=C3)Cl)[N+](=O)[O-])C
InChI Key MOTGVPXRLDDMSK-UHFFFAOYSA-N
Molecular Formula C17H23ClN4O3
Exact Mass 366.146 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-Eawag-EQ01128913
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T14:23:56.659244
MetadataModified 2025-02-09T10:04:47.304382
MetadataPublished 2023-04-27
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
44571837 PubChem
123103836 PubChem: Thomson Pharma
SCHEMBL255346 SureChEMBL
CHEMBL519270 ChEMBL
DTXSID9058498 EPA CompTox Dashboard
The data in this table is sourced from UniChem at EBI.