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Table 3 Ultra-performance liquid chromatography-electrospray ionization time-of-flight mass spectrometry to identify the effective ingredients of CTCMDO

From: Compound traditional Chinese medicine dermatitis ointment ameliorates inflammatory responses and dysregulation of itch-related molecules in atopic dermatitis

No.

RT

Name

Molecular formula

Theoretical molecular weight

Measured molecular weight

Fragment ion

1

0.5

Catalpol

C15H22O10

362.33

[M]-H] + 1 361.11255

361.1, 199.1, 169.05

2

1.16

Triethanolamine

C6H15NO3

149.10515

[M + H] + 1 150.11241

150.11, 132.1, 122.97, 58.07

3

1.453

Betaine

C5H11NO2

117.0792

[M + H] + 1 118.08654

118.09, 59.07, 58.07

4

1.488

D-Raffinose

C18H32O16

504.16871

[M + H] + 1 505.17612

527.16, 365.10, 203.05

5

1.772

Nicotinic acid

C6H5NO2

123.03228

[M + H] + 1 124.03950

124.04, 111.04, 79.05

6

3.49

phellodendrine

C20H24NO4

341.413

[M + H] + 1 342.16898

342.17, 192.1

7

4.26

Sesamol

C7H6O3

138.03115

[M + H] + 1 139.03879

109.03, 94.09, 65.04

8

4.27

Bis(2-ethylhexyl) phthalate

C24H38O4

390.2769

[M + H] + 1 391.28412

391.28, 226.89

9

4.50

Coptisine

C19H14NO4

337.2

[M−H2O]+1 320.09085

318.09, 292.07

10

4.62

Palmatine

C21H22NO4

351.86

[M + H] + 1 352.15326

337.02, 322.02, 308.10, 293.11

11

5.839

5-Hydroxymethyl-2-furaldehyde

C6H6O3

126.03179

[M + H] + 1 127.03906

127.04, 109.03, 81.08, 57.03

12

9.47

3-Hydroxypicolinic acid

C6H5NO3

139.02699

[M + H] + 1 140.03427

140.03, 122.06, 95.09, 79.01

13

10.337

Puerarin

C21H20O9

416.1103

[M + H] + 1 417.11785

417.12, 399.11, 381.10

14

10.815

Berberine

C20H17NO4

335.11495

[M + H] + 1 336.12220

336.12, 306.08, 278.08

15

11.087

Daidzin

C21H20O9

416.11031

[M + H] + 1 417.11755

417.07, 237.05, 199.08, 181.06

16

11.372

Cyclo(phenylalanyl-prolyl)

C14H16N2O2

244.12105

[M + H] + 1 245.12827

245.13, 172.11

17

11.683

Ferulic acid

C10H10O4

194.05734

[M + H] + 1 193.04973

193.05, 178.03, 149.06, 134.04, 106.04

18

12.611

Senkyunolide H

C12H16O4

206.09422

[M + H] + 1 207.10150

207.10, 165.05, 123.04, 95.05

19

13.918

Daidzein

C15H10O4

254.05759

[M + H] + 1 253.05025

253.05, 235.13, 167.05

20

14.938

Curcumin

C21H20O6

368.12552

[M + H] + 1 369.13306

369.13, 299.13, 245.08, 177.05

21

15.041

Methyl palmitate

C17H34O2

287.28234

[M + H] + 1 287.28230

288.29, 270.28, 226.15

22

16.836

Sesamin

C20H18O6

336.09902

[M + H] + 1 337.10630

336.10, 307.10, 187.07, 135.04, 77.04

23

17.915

( +)-ar-Turmerone

C15H20O

216.15122

[M + H] + 1 217.15849

217.16, 125.10, 55.05

24

18.665

(-)-Caryophyllene oxide

C15H24O

220.18259

[M + H] + 1 221.18980

221.19, 203.18, 165.13

25

19.12

9-Oxo-10(E),12(E)-octadecadienoic acid

C18H30O3

294.21939

[M + H] + 1 295.22644

295.2, 241.19, 179.14, 151.11

26

19.27

α-Eleostearic acid

C18H30O2

278.22444

[M + H] + 1 279.23160

279.23, 261.22, 57.07

27

19.645

18-β-Glycyrrhetinic acid

C30H46O4

470.33923

[M + H] + 1 471.34674

471.35, 453.34, 425.34, 407.33

28

20.327

9(Z),11(E),13(E)-Octadecatrienoic Acid methyl ester

C19H32O2

292.23989

[M + H] + 1 293.24716

293.25, 243.21, 219.21, 55.06

29

20.418

Palmitoleic acid

C16H30O2

254.22429

[M + H] + 1 255.23157

255.23, 237.22, 195.17, 181.16

30

20.669

Palmitelaidic acid methyl ester

C17H32O2

268.23989

[M + H] + 1 269.24716

269.25, 135.12, 55.06

31

21.131

Palmitoyl ethanolamide

C18H37NO2

282.2556

[M + NH4] + 1 300.28934

300.29, 282.28, 239.24

32

21.137

1-Linoleoyl glycerol

C21H38O4

354.27647

[M + H] + 1 355.28375

355.28, 337.27, 133.10, 72.09

33

21.22

Hexadecanamide

C16H33NO

255.25567

[M + H] + 1 256.26294

256.26, 130.12, 102.09, 88.08, 57.07

34

21.424

16-Hydroxyhexadecanoic acid

C16H32O3

272.23518

[M + H] + 1 271.22791

271.23, 253.22, 225.22

35

21.482

Oleoyl ethanolamide

C20H39NO2

325.29778

[M + H] + 1 326.30505

326.31, 309.28, 247.24, 151.15

36

21.566

Oleamide

C18H35NO

281.27117

[M + H] + 1 282.27850

282.28, 212.20, 177.16, 114.09

37

21.871

Monoolein

C21H40O4

356.2922

[M + H] + 1 357.29947

357.30, 339.29, 247.24, 181.16

38

22.425

Stearamide

C18H37NO

283.2871

[M + H] + 1 284.29430

284.29, 144.14, 102.09, 57.07

39

22.872

Ricinoleic acid methyl ester

C19H36O3

294.25585

[M + H] + 1 295.26300

295.26, 245.23, 147.12, 55.06

40

23.48

Stearic acid

C18H36O2

284.27147

[M + H] + 1 283.26419

283.26, 270.63, 239.20

41

23.745

Erucamide

C22H43NO

337.33355

[M + H] + 1 338.34082

338.34, 303.30, 212.20, 149.13

42

25.012

Docosanamide

C22H45NO

339.34969

[M + H] + 1 340.35696

340.36, 69.07, 57.07

43

25.9

Nervonic acid methyl ester

C25H48O2

380.36467

[M + H] + 1 381.37195

381.37, 349.35, 331.33

44

17.45

Sesamolin

C20H18O7

352.0941

[M + H] + 1 353.08720

353.0872, 149.023, 77.04