Table 1 UPLC–Qtof-MS/MS chromatographic and spectrometric information of in vivo metabolites (M1–M29) of SAA

SAA

C₂₆H₂₂O₁₀

313.0736 (c⁻), 295.0619(b⁻), 269.0812(a⁻), 203.0350, 197.0472(y⁻), 185.0249, 179.0348(z⁻), 159.0458, 135.0444, 109.0303

salvianolic acid A (SAA)

U, F

M1

C₉H₁₀O₅

135.0431, 123.0458, 72.9924

danshensu (DSS)

F

M2

C₂₃H₂₂O₁₂

313.0730, 269.0854, 159.0466, 109.0292

SAF glucuronide

U

M3

C₁₇H₁₆O₆

271.0988, 255.0616, 135.0448, 109.0238

hydrogenated SAF

U

M4

C₁₇H₁₄O₆

269.0759, 251.0773, 159.0423, 135.0474, 109.0295

salvianolic acid F (SAF)

U

M5

C₃₂H₃₀O₁₆

493.1144, 471.1015(b⁻), 313.0606, 295.0626, 185.0229, 109.0315

[SAF-glucuronide]-[DSS]

U, F

M6

C₃₂H₂₈O₁₆

491.0973, 487.0981(c⁻), 311.0582, 293.0505, 135.0507

[tournefolic acid A- glucuronide]-[DSS]

F

M7

C₃₂H₃₀O₁₆

493.1222, 471.0898(b⁻), 445.0998(a⁻), 313.0785, 295.0647, 185.0251

[SAF-glucuronide]-[DSS]

U, F

M8

C₃₂H₃₀O₁₆

493.1160, 489.0967(c⁻), 445.1225(a⁻), 295.0651, 185.0241, 109.0272

[SAF-glucuronide]-[DSS]

F

M9

C₃₂H₂₈O₁₆

491.0988, 355.0668(y⁻), 311.0474, 293.0488, 267.0780, 197.0450, 179.0405, 175.0255, 135.0477

[tournefolic acid A]-[DSS-glucuronide]

F

M10

C₂₆H₂₂O₁₃S

493.1074, 393.0397(c⁻), 295.0658, 197.0425(y⁻), 185.0251, 109.0286

[SAF-sulfate]-[DSS]

F

M11

C₃₃H₃₂O₁₆

507.1259, 471.0983(b⁻), 313.0721, 295.0665, 185.0255, 109.0267

[methyl-DSS]-[SAF-glucuronide]

U

M12

C₂₆H₂₂O₁₃S

493.1062, 295.0644, 185.0236, 135.0447

SAA sulfate

U

M13

C₂₆H₂₂O₁₃S

493.0975, 393.0393(c⁻), 295.0595, 185.0231, 159.0429, 109.0291

[SAF-sulfate]-[DSS]

F

M14

C₃₃H₃₂O₁₆

507.1001, 471.1004(b⁻), 295.0581, 185.0286

[methyl-DSS]-[SAF-glucuronide]

U

M15

C₃₂H₂₈O₁₆

491.1116, 469.0669(b⁻), 311.0563, 293.0453, 197.0513(z⁻), 135.0404

[tournefolic acid A- glucuronide]-[DSS]

F

M16

C₃₄H₃₄O₁₆

521.1539, 485.1085, 327.0944 (c⁻–GluA or c⁻), 309.0765, 211.0746(y⁻ or y⁻–GluA)

[methyl-SAF]-[methyl-DSS]-glucuronide

U

M17

C₃₄H₃₄O₁₆

521.1510, 327.1000(c⁻–GluA or c⁻), 309.0794, 211.0610(y⁻ or y⁻–GluA)

[methyl-SAF]-[methyl-DSS]- glucuronide

P

M18

C₃₄H₃₄O₁₆

521.1494, 503.117, 327.0911(c⁻–GluA or c⁻), 309.0768, 294.0526, 278.0613, 211.0630(y⁻ or y⁻–GluA), 193.0510(z⁻ or z⁻–GluA)

[methyl-SAF]-[methyl-DSS]- glucuronide

P

M19

C₂₆H₂₀O₁₀

311.0573(c⁻), 293.0467(b⁻), 267.0669(a⁻), 265.0510, 197.0480(y⁻), 179.0365(z⁻), 135.0456

salvianolic acid C (SAC)

F

M20

C₃₄H₃₄O₁₆

521.1506, 327.0913(c⁻–GluA or c⁻), 309.0755(b⁻–GluA or b⁻), 294.0585, 211.0613(y⁻ or y⁻–GluA)

[methyl-SAF]-[methyl-DSS]- glucuronide

P

M21

C₂₆H₂₂O₉

313.0717(c⁻), 295.0591(b⁻), 185.0258, 159.0484, 109.0289

[SAF]-[DSS-dehydroxylated]

F

M22

C₃₄H₃₄O₁₆

521.1270, 309.0749(b⁻–GluA or b⁻), 283.0912

di-methyl-SAA glucuronide

P

M23

C₂₇H₂₄O₁₀

327.0923(c⁻), 309.0728(b⁻), 197.0456(y⁻), 179.0336(z⁻), 135.0468

3'-methyl-SAA

F

M24

C₃₄H₃₄O₁₆

521.1426, 327.0860(c⁻–GluA or c⁻), 309.0749(b⁻–GluA or b⁻), 294.0522, 283.1019, 211.0590(y⁻ or y⁻–GluA)

[methyl-SAF]-[methyl-DSS]- glucuronide

P

M25

C₂₇H₂₄O₁₀

313.0676(c⁻), 295.0631(b⁻), 211.0638(y⁻), 203.0346, 193.0523(z⁻), 185.0227, 109.0273

3''-methyl-SAA

U

M26

C₂₇H₂₄O₁₀

327.0863(c⁻), 309.0833(b⁻), 294.0554, 278.0731, 197.0471(y⁻), 179.0333(z⁻)

2-methyl-SAA or 3-methyl-SAA

U, F

M27

C₂₆H₂₀O₉

311.0710(c⁻), 293.0407(b⁻), 119.0511

[tournefolic acid A]-[DSS-dehydroxylated]

F

M28

C₂₈H₂₆O₁₀

327.0934(c⁻), 309.0776(b⁻), 294.0480, 277.0507, 211.0644(y⁻), 193.0489(z⁻)

[methyl-SAF]-[methyl-DSS]

U, F

M29

C₂₈H₂₆O₁₀

327.0866(c⁻), 309.0782(b⁻), 294.0600, 277.0490, 211.0608(y⁻), 193.0545(z⁻), 165.0535

[methyl-SAF]-[methyl-DSS]

U, F