Spectrum FiehnHILIC001099 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
M + 0
404
negative
HCD (NCE 20-30-40%)
2.6896
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)
1.1461332584211614
0.4468444006845654
102.0297
[M-H]-
11.765201700952437 ppm
-0.0012003999999876669 Da