Spectrum FiehnHILIC000229 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
positive
444
HCD (NCE 20-30-40%)
2.72855
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)
1.2149197007309083
0.4889196545208485
104.0458
[M+H]+
3.3293030569035036 ppm
-3.4639999999797055E-4 Da