Spectrum CCMSLIB00005720153 for 9-methoxycanthin-6-one

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Compound Information

Chemical Names

Compound Classification (provided by ClassyFire)

ClassyFire is a freely accessible computational tool that uses the ChemOnt taxonomy to classify chemical entities based on their structure. ClassyFire combines structure search, IUPAC name parsing, and evaluation of logical expressions to retrieve structural features, which are then mapped to the corresponding ChemOnt classes.

Compound Metadata

NameValue
InChI=1S/C15H10N2O2/c1-19-9-2-3-10-11-6-7-16-12-4-5-14(18)17(15(11)12)13(10)8-9/h2-8H,1H3
C15H10N2O2
250.07422756
O=C1C=CC2=NC=CC=3C4=CC=C(OC)C=C4N1C23
OWCRARVHWCCRAG-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
LC-ESI
Isolated
qTof
250.074
1
f.pilepoga/Alkalo ANGERS/Canthinone.mgf;
MS2
GNPS-LIBRARY
pilepoga, Le Pogam
positive
1.632833373699357
0.6029553562318651
251.082
[M+H]+
0.7868345799527834 ppm
-1.9756000000370477E-4 Da