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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 compoundstR (min)-m/zIonsVIPFormula (neutral form)MS/MS fragmentsIdentification
a43.54–297a[M+H]+2.63C19H20O3279, 264, 251, 223, 208Cryptotanshinone
43.36–615a[2M+Na]+3.67   
b40.89–277a[M+H]+2.74C18H12O3259, 249, 231, 221, 206, 193, 178Tanshinone I
40.87–575b[2M+Na]+    
c32.82–279b[M+H]+ C18H14O3218, 205, 190Dihydrotanshinone I
32.94–579a[2M+Na]+1.57   
d52.17–295a[M+H]+1.28C19H18O3277, 262, 249, 234, 221, 206, 191Tanshinone IIA
51.45–296aIsotope 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