Spectrum KO003269 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)/t8-/m0/s1
YGPSJZOEDVAXAB-QMMMGPOBSA-N
C10H12N2O3
208.084792244
O=C(O)C(N)CC(=O)C=1C=CC=CC1N

Mass Spectral Metadata

NameValue
KO003269
2016.01.19 (Created 2007.07.07, modified 2011.05.10)
Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ.
CC BY-NC-SA
KEIO_ID K004
208.08479
API3000, Applied Biosystems
LC-ESI-QQ
MS2
30 V
positive
2.791858377556007
0.7917109887282147
209
[M+H]+
443.8384880382743 ppm
-0.09276224399999933 Da