Spectrum VF-NPL-QTOF004868 for 7,8-dimethylalloxazine (lumichrome)

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  • Originally submitted to the Vaniya/Fiehn Natural Products Library

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
ZJTJUVIJVLLGSP-UHFFFAOYSA-N
C12H10N4O2
242.08037556
OC=1N=C(O)C=2N=C3C=C(C(=CC3=NC2N1)C)C
InChI=1S/C12H10N4O2/c1-5-3-7-8(4-6(5)2)14-10-9(13-7)11(17)16-12(18)15-10/h3-4H,1-2H3,(H2,14,15,16,17,18)

Mass Spectral Metadata

NameValue
MS2
LC-ESI-QTOF
Agilent 6530 Q-TOF
Arpana Vaniya and Alberto Valdes Tabernero
positive
10 V
120_72
2.0087 minutes
0.7711717613929371
0.4303991549296411
243.0877
[M+H]+
2.655667069872561 ppm
-6.455599999810602E-4 Da