Spectrum MoNA002303 for KYNURENINE

Rating: (*)★(*)★(*)★(*)★(*)☆

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
InChI=1S/C10H12N2O3/c11-7-4-2-1-3-6(7)9(13)5-8(12)10(14)15/h1-4,8H,5,11-12H2,(H,14,15)
YGPSJZOEDVAXAB-UHFFFAOYSA-N
C10H12N2O3
208.084792244
O=C(O)C(N)CC(=O)C=1C=CC=CC1N

Mass Spectral Metadata

NameValue
MS2
LC-ESI-QTOF
Agilent QTOF 6550
40
C10H12N2O3
208.08479
208.08479
qtof_library_rp_pos_proton_sept_2018_dinesh_barupal.msp
positive
2.802287324114888
0.6931119935107296
209.092737371271
[M+H]+
0.11895548985910441 ppm
-2.487272899998061E-5 Da