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 8-methanesulfinyloctan-1-amine
1 spectrum  
 C9H21NOS  Generated by the Chemistry Development Kit (http://github.com/cdk) \n  191.33800   
  
   
 8-methanesulfinyloctanenitrile
1 spectrum  
 C9H17NOS  Generated by the Chemistry Development Kit (http://github.com/cdk) \n  187.30600   
  
   
 8-Methylsulfinyloctyl isothiocyanate
13 spectra     
 C10H19NOS2  Generated by the Chemistry Development Kit (http://github.com/cdk) \n  233.39799   
  
   
 8:1+2O fatty acyl hexoside
1 spectrum  
 C14H26O8  Generated by the Chemistry Development Kit (http://github.com/cdk) \n  322.35400   
  
   
 9-methanesulfinylnonanenitrile (isomer of 665)
1 spectrum  
 C10H19NOS  Generated by the Chemistry Development Kit (http://github.com/cdk) \n  201.33299   
  
   
 9-methanesulfinylnonanenitrile (isomer of 666)
1 spectrum  
 C10H19NOS  Generated by the Chemistry Development Kit (http://github.com/cdk) \n  201.33299   
  
   
 9-methanesulfinylnonanoic acid
2 spectra     
 C10H20O3S  Generated by the Chemistry Development Kit (http://github.com/cdk) \n  220.33200   
  
   
 9-Nitro-20(S)-camptothecin
26 spectra     
 C20H15N3O6  Generated by the Chemistry Development Kit (http://github.com/cdk) \n  393.35501   
  
   
 [6]-Gingerol
12 spectra     
 C17H26O4  Generated by the Chemistry Development Kit (http://github.com/cdk) \n  294.18311   
  
   
 ABOA
1 spectrum  
 C9H7NO3  Generated by the Chemistry Development Kit (http://github.com/cdk) \n  177.15900   
  
   
 Acacetin
27 spectra     
 C16H12O5  Generated by the Chemistry Development Kit (http://github.com/cdk) \n  284.06848   
  
   
 Acacetin-7-O-neohesperidoside
36 spectra     
 C28H32O14  Generated by the Chemistry Development Kit (http://github.com/cdk) \n  592.17920   
  
   
 Acacetin-7-O-rutinoside
37 spectra     
 C28H32O14  Generated by the Chemistry Development Kit (http://github.com/cdk) \n  592.54999   
  
   
 Acaciin
3 spectra     
 C28H32O14  Generated by the Chemistry Development Kit (http://github.com/cdk) \n  592.17920   
  
   
 Acetosyringone
1 spectrum  
 C10H12O4  Generated by the Chemistry Development Kit (http://github.com/cdk) \n  196.20200   
  
   
 Acetylaconitine
13 spectra     
 C36H49NO12  Generated by the Chemistry Development Kit (http://github.com/cdk) \n  687.78302   
  
   
 Acetylated camptothecin
1 spectrum  
 C22H20N2O6  Generated by the Chemistry Development Kit (http://github.com/cdk) \n  408.41000   
  
   
 Acetylcholine
2 spectra     
 [C7H16NO2]+  Generated by the Chemistry Development Kit (http://github.com/cdk) \n  146.11810   
  
   
 Acetylleucine (isomer of 164)
1 spectrum  
 C8H15NO3  Generated by the Chemistry Development Kit (http://github.com/cdk) \n  173.21201   
  
   
 Acetylleucine (isomer of 165)
1 spectrum  
 C8H15NO3  Generated by the Chemistry Development Kit (http://github.com/cdk) \n  173.21201   
  
   
 AcetylPhenylalanine
1 spectrum  
 C11H13NO3  Generated by the Chemistry Development Kit (http://github.com/cdk) \n  207.22900   
  
   
 Acetylproline
1 spectrum  
 C7H11NO3  Generated by the Chemistry Development Kit (http://github.com/cdk) \n  157.16901   
  
   
 Aconitic acid
1 spectrum  
 C6H6O6  Generated by the Chemistry Development Kit (http://github.com/cdk) \n  174.10800   
  
   
 Aconitic acid (not validated, isomer of 271)
1 spectrum  
 C6H6O6  Generated by the Chemistry Development Kit (http://github.com/cdk) \n  174.10800   
  
   
 Aconitic acid (not validated, isomer of 273)
1 spectrum  
 C6H6O6  Generated by the Chemistry Development Kit (http://github.com/cdk) \n  174.10800   
         
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