Spectrum PM001003 for 3-Hydroxy-L-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
224.08
InChI=1S/C10H12N2O4/c11-6(10(15)16)4-8(14)5-2-1-3-7(13)9(5)12/h1-3,6,13H,4,11-12H2,(H,15,16)
VCKPUUFAIGNJHC-UHFFFAOYSA-N
C10H12N2O4
224.079706864
O=C(O)C(N)CC(=O)C=1C=CC=C(O)C1N

Mass Spectral Metadata

NameValue
PM001003
Piraud M, et al.
Copyright(C) 2012 Plant Science Center, RIKEN
MeOH/H2O
QqQ
API 2000
-10
ESI
negative
authentic sample
[M-H]-
MS2
1.0596986742060843
0.964579301666831
223
[M-H]-
324.8020807175415 ppm
-0.07243086400001175 Da