Dataset

8-Chlorotheophylline

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

Chemical Info

molecular Image
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
Molecular Formula C7H7ClN4O2
Exact Mass 214.026 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA001668
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:50:49.855933
MetadataModified 2024-01-11T22:50:50.035390
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables