Spectrum FiehnHILIC002114 for Moxonidine

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
WPNJAUFVNXKLIM-UHFFFAOYSA-N
C9H12ClN5O
241.07303768399998
ClC=1N=C(N=C(OC)C1NC2=NCCN2)C
InChI=1S/C9H12ClN5O/c1-5-13-7(10)6(8(14-5)16-2)15-9-11-3-4-12-9/h3-4H2,1-2H3,(H2,11,12,15)

Mass Spectral Metadata

NameValue
M + 0
15 eV
positive
335
3.439983
35 eV
LC-ESI-QTOF
SCIEX TripleTOF 6600
Michael Sa and Megan Showalter
MS2
Waters Acquity UPLC BEH Amide column (2.1 x 150mm: 1.7µm)
2.2146698095655935
0.5025665773785086
242.0804
[M+H]+
2.510256922856145 ppm
-6.076839999877848E-4 Da