Spectrum MoNA036645 for AMILORIDE

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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
XSDQTOBWRPYKKA-UHFFFAOYSA-N
C6H8ClN7O
229.04788555599998
ClC=1N=C(C(O)=NC(=N)N)C(=NC1N)N
InChI=1S/C6H8ClN7O/c7-2-4(9)13-3(8)1(12-2)5(15)14-6(10)11/h(H4,8,9,13)(H4,10,11,14,15)

Mass Spectral Metadata

NameValue
MS2
LC-ESI-QTOF
Agilent qTOF 6545
C6H8ClN7O
positive
10 eV
Sonnenburg Lab MS2 Library HILIC positive method
Sonnenburg_Lab_qTOF_MS2_Spectra.msp
1.331442004987697
0.5782379157403587
230.0551616
[M+H]+
3.01647654921433 ppm
-6.93955999992113E-4 Da