Spectrum PM000921 for D-Aminolevulinic acid

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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
131.06
InChI=1S/C5H9NO3/c6-3-4(7)1-2-5(8)9/h1-3,6H2,(H,8,9)
ZGXJTSGNIOSYLO-UHFFFAOYSA-N
C5H9NO3
131.05824314799997
O=C(O)CCC(=O)CN

Mass Spectral Metadata

NameValue
PM000921
Piraud M, et al.
Copyright(C) 2012 Plant Science Center, RIKEN
MeOH/H2O
QqQ
API 2000
14
ESI
positive
authentic sample
[M+H]+
MS2
1.3203422316466575
0.7368970301663881
132
[M+H]+
501.6147575755633 ppm
-0.06621314799997435 Da