Spectrum FiehnHILIC001803 for Biuret

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
OHJMTUPIZMNBFR-UHFFFAOYSA-N
C2H5N3O2
103.0381764
N=C(O)NC(=N)O
InChI=1S/C2H5N3O2/c3-1(6)5-2(4)7/h(H5,3,4,5,6,7)

Mass Spectral Metadata

NameValue
249
M + 0
15 eV
2.789117
positive
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)
0.7779263821113704
0.7080991084256674
104.0456
[M+H]+
5.251543554024484 ppm
-5.464000000046099E-4 Da