Go to resource

8-Chlorotheophylline

URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA001668

Dataset description:

This MassBank record with Accession MSBNK-Waters-WA001668 contains the MS mass spectrum of 8-Chlorotheophylline with the InChIkey RYIGNEOBDRVTHA-UHFFFAOYSA-N.

Source: 8-Chlorotheophylline; LC-ESI-Q; MS; POS; 45 V

Chemical Info

InChI	InChI=1S/C7H7ClN4O2/c1-11-4-3(9-6(8)10-4)5(13)12(2)7(11)14/h1-2H3,(H,9,10)
SMILES	CN1C2=C(C(=O)N(C1=O)C)NC(=N2)Cl
InChI Key	RYIGNEOBDRVTHA-UHFFFAOYSA-N
Exact Mass	214.026 g/mol

There are no views created for this resource yet.

Additional Information

Field	Value
Data last updated	January 11, 2024
Metadata last updated	January 11, 2024
Created	January 11, 2024
Format	HTML
License	Attribution-NonCommercial 4.0 International (CC BY-NC 4.0)
Id	36555b4d-8702-4cd4-ba3f-44f6aa43df00
Package id	msbnk-waters-wa001668
Resource type	HTML
State	active