Spectrum FiehnHILIC001237 for Guanidinoacetic acid

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
BPMFZUMJYQTVII-UHFFFAOYSA-N
C3H7N3O2
117.053826464
O=C(O)CNC(=N)N
InChI=1S/C3H7N3O2/c4-3(5)6-1-2(7)8/h1H2,(H,7,8)(H4,4,5,6)

Mass Spectral Metadata

NameValue
M + 0
negative
1309
HCD (NCE 20-30-40%)
8.156183
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)
0.2149982191036709
0.1956998126830727
116.0452
[M-H]-
11.63739646273988 ppm
-0.0013504639999979418 Da