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 S4:16(P3:14/F1:2)
1 spectrum  
 C28H46O15  Generated by the Chemistry Development Kit (http://github.com/cdk) \n  622.66101   
  
   
 S4:17(P3:15/F1:2)
1 spectrum  
 C29H48O15  Generated by the Chemistry Development Kit (http://github.com/cdk) \n  636.68799   
  
   
 S4:18(P3:16/F1:2)
1 spectrum  
 C30H50O15  Generated by the Chemistry Development Kit (http://github.com/cdk) \n  650.71503   
  
   
 S4:19(P3:17/F1:2)
1 spectrum  
 C31H52O15  Generated by the Chemistry Development Kit (http://github.com/cdk) \n  664.74200   
  
   
 S4:20(P3:18/F1:2)
1 spectrum  
 C32H54O15  Generated by the Chemistry Development Kit (http://github.com/cdk) \n  678.76898   
  
   
 Sabinene
2 spectra     
 C10H16  Generated by the Chemistry Development Kit (http://github.com/cdk) \n  136.12520   
  
   
 SACCHARIN
1 spectrum  
 C7H5NO3S  Generated by the Chemistry Development Kit (http://github.com/cdk) \n  182.99901   
  
   
 Saccharolactic acid, mucic acid, Tetrahydroxyhexan...
1 spectrum  
 C6H10O8  Generated by the Chemistry Development Kit (http://github.com/cdk) \n  210.13800   
  
   
 SAFRAMYCIN-A
2 spectra     
 C29H30N4O8  Generated by the Chemistry Development Kit (http://github.com/cdk) \n  562.20636   
  
   
 SAFRAMYCIN-B
2 spectra     
 C28H31N3O8  Generated by the Chemistry Development Kit (http://github.com/cdk) \n  537.21112   
  
   
 SAFRAMYCIN-C
2 spectra     
 C29H33N3O9   567.22168   
  
   
 Safranin
10 spectra     
 [C20H19N4]+  Generated by the Chemistry Development Kit (http://github.com/cdk) \n  315.16098   
  
   
 Safranine
1 spectrum  
 [C20H19N4]+  Generated by the Chemistry Development Kit (http://github.com/cdk) \n  315.16098   
  
   
 Safranine, 2,8-Dimethylphenosafranine, 3,7-dimethy...
1 spectrum  
 [C20H19N4]+  Generated by the Chemistry Development Kit (http://github.com/cdk) \n  315.39999   
  
   
 SAFROL
1 spectrum  
 C10H10O2  Generated by the Chemistry Development Kit (http://github.com/cdk) \n  162.06808   
  
   
 SAFROLE
2 spectra     
 C10H10O2  Generated by the Chemistry Development Kit (http://github.com/cdk) \n  162.06808   
  
   
 Saikosaponin a
8 spectra     
 C42H68O13  Generated by the Chemistry Development Kit (http://github.com/cdk) \n  780.99298   
  
   
 Saikosaponin A
1 spectrum  
 C42H68O13  Generated by the Chemistry Development Kit (http://github.com/cdk) \n  780.46600   
  
   
 Saikosaponin b2
12 spectra     
 C42H68O13  Generated by the Chemistry Development Kit (http://github.com/cdk) \n  780.99298   
  
   
 Saikosaponin C
11 spectra     
 C48H78O17  Generated by the Chemistry Development Kit (http://github.com/cdk) \n  927.13501   
  
   
 Saikosaponin D
13 spectra     
 C42H68O13  Generated by the Chemistry Development Kit (http://github.com/cdk) \n  780.99298   
  
   
 Sakuranetin
22 spectra     
 C16H14O5  Generated by the Chemistry Development Kit (http://github.com/cdk) \n  286.08411   
  
   
 Salazinic acid
1 spectrum  
 C18H12O10  Generated by the Chemistry Development Kit (http://github.com/cdk) \n  388.29031   
  
   
 Salbutamol
25 spectra     
 C13H21NO3  Generated by the Chemistry Development Kit (http://github.com/cdk) \n  239.15210   
  
   
 Salicin
1 spectrum  
 C13H18O7  Generated by the Chemistry Development Kit (http://github.com/cdk) \n  286.10526   
         
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