Spectrum FiehnHILIC001067 for Amiloride

Rating: (*)★(*)★(*)★(*)★(*)★
  • Originally submitted to the Fiehn Lab HILIC 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
XSDQTOBWRPYKKA-UHFFFAOYSA-N
C6H8ClN7O
229.047885556
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
M + 0
negative
HCD (NCE 20-30-40%)
1173
5.521783
LC-ESI-QFT
Thermo Q Exactive HF
Michael Sa and Megan Showalter
MS2
Waters Acquity UPLC BEH Amide column (2.1 x 150mm: 1.7µm)
1.7059939171283762
0.6153072410069614
228.0401
[M-H]-
2.234501739061105 ppm
-5.095560000256683E-4 Da