Spectrum MoNA016895 for LUMICHROME

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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
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
-1
C12H10N4O2
-1
2.666517
LC-ESI-QTOF
XEVO-G2S
6V (MS1); Ramp 15V-30V (MSE)
MSMS-USMARCStd-Pos-V1.msp
positive
2.8143861884820747
0.8120601994538961
265.0684
[M+Na]+
6.585319110152611 ppm
-0.0017455600000175764 Da