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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