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Table 1 Detail information of four marker compounds obtained from OPLS-DA S-plot

From: LC–MS-based multivariate statistical analysis for the screening of potential thrombin/factor Xa inhibitors from Radix Salvia Miltiorrhiza

Marker compounds tR (min)-m/z Ions VIP Formula (neutral form) MS/MS fragments Identification
a 43.54–297a [M+H]+ 2.63 C19H20O3 279, 264, 251, 223, 208 Cryptotanshinone
43.36–615a [2M+Na]+ 3.67    
b 40.89–277a [M+H]+ 2.74 C18H12O3 259, 249, 231, 221, 206, 193, 178 Tanshinone I
40.87–575b [2M+Na]+     
c 32.82–279b [M+H]+   C18H14O3 218, 205, 190 Dihydrotanshinone I
32.94–579a [2M+Na]+ 1.57    
d 52.17–295a [M+H]+ 1.28 C19H18O3 277, 262, 249, 234, 221, 206, 191 Tanshinone IIA
51.45–296a Isotope peak of [M+H]+ 2.62    
51.74–317b [M+Na]+     
51.84–611a [2M+Na]+ 3.60    
  1. a Represents the ion screened from S-plot of OPLS-DA model
  2. b Represents the ion that found in MS data to assist identification