Spectrum PM000988 for L-a-Aminoadipic 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
161.07
InChI=1S/C6H11NO4/c7-4(6(10)11)2-1-3-5(8)9/h4H,1-3,7H2,(H,8,9)(H,10,11)
OYIFNHCXNCRBQI-UHFFFAOYSA-N
C6H11NO4
161.06880783199998
O=C(O)CCCC(N)C(=O)O

Mass Spectral Metadata

NameValue
PM000988
Piraud M, et al.
Copyright(C) 2012 Plant Science Center, RIKEN
MeOH/H2O
QqQ
API 2000
-20
ESI
negative
authentic sample
[M-H]-
MS2
1.0291817649219352
0.9368016137609858
160
[M-H]-
384.57394999991124 ppm
-0.0615318319999858 Da