Spectrum VF-NPL-QEHF000545 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
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)
C12H10N4O2
242.08037556
OC=1N=C(O)C=2N=C3C=C(C(=CC3=NC2N1)C)C
ZJTJUVIJVLLGSP-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
35HCD
120_72_NEG_QEHF_44.raw
13
negative
ESI-QFT
Thermo Q Exactive HF
Arpana Vaniya
MS2
direct injection
1.3751070681466306
0.2706155561290063
241.07310485839838
[M-H]-
0.021978388592662892 ppm
5.298398377817648E-6 Da