MS/MS Data (ms2) Negative Ion DataOdd e SubFrags OK?Consistent Formulas?
0
Isotope (ms1) Data  
 
         
TRUE   Mass (optional) Intensity                
Mass Intensity   Molecular Ion   100.0000         Copyright 2013-2022 MathSpec, Inc.                                     US patent no. 8344315          
FALSE 1st isotope   20.0000            
50.0151 68   2nd isotope   3.0000                
51.0230 40 Precursor Ion must 3rd isotope   0.0000   Go!
 
           
53.0386 136 be the greatest 4th isotope                    
65.0386 36 mass and present in                      
77.0385 408  one row at > 2%                      
81.0335 16   Element Maxima (Optional)                  
94.0413 12   Element Maximum                  
95.0492 434   C 18                  
105.0448 299   H 15                  
115.0542 18   N 0                  
127.0543 15   O 4                  
133.0202 16   S 0     Import data from the SPS_Data Worksheet, Row:            
138.9944 14   P 1                
139.0543 11   F 0     0          
141.0699 18   Cl 0                  
150.0465 17   Br 0                  
151.0543 48                        
152.0621 999   Parameters     Retention Time Maximum Drift in minutes (for SPS_Worksheet use only)            
153.0699 30                  
155.0604 26  
 
      2.00          
168.0570 354   Error Window (millidaltons) 3                
169.0648 76                    
175.0155 22                      
179.0604 36           MB Spectrum EQ363806 EQ363806        
187.0308 29    
 
       Stravs M, Schymanski E, Singer H, Department of Environmental Chemistry, Eawag and Thomaidis N, University of Athens          
202.0778 32   Max % Isotope Ratio Error(abs) 3     Contributors          
215.0257 27                    
226.0778 64           Compound  Triphenyl phosphate (TPP)          
227.0856 37           Formula  C18H15O4P          
228.0934 28    
 
    Exact Mass 326.0708          
233.0364 13   Subfragment Formula Restriction       Pubchem ID 8289 4691        
327.0781 1001   1     Instrument  Q Exactive Plus Orbitrap Thermo Scientific          
              Ion Mode POSITIVE          
              Collision Energy 90          
              Precursor Int  0