Spectrum MoNA011142 for Kynurenine

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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
208.08479224399997
O=C(O)C(N)CC(=O)C=1C=CC=CC1N

Mass Spectral Metadata

NameValue
40
MS2
DDA
PMID 28641411
Agilent 6550 iFunnel
Q-TOF
CC-BY
KI_HILIC V0.99f.msp.txt
AIF
2.374647043655399
0.9258065999422012
209.092071533203
[M+H]+
3.3033810985506955 ppm
-6.907107969595927E-4 Da