Table 1 MS and MS/MS data of phytochemical compounds detected in PE obtained by UHPLC-ESI-Q-TOF-MS/MS in positive and negative modes

Negative mode

1

1.406

D-Lactose

C₁₂H₂₂O₁₁

377.0855

0.39

(M + Cl)-

2

1.431

Sucrose

C₁₂H₂₂O₁₁

341.1089

-0.05

(M-H)-

3

1.682

Sarmentosin epoxide

C₁₁H₁₇NO₈

290.0881

-0.14

(M-H)-

4

1.707

(R)-(+)-2-Pyrrolidone-5-carboxylic acid

C₅H₇NO₃

128.0353

0.24

(M-H)-

5

1.731

Pseudouridine

C₉H₁₂N₂O₆

243.0622

-0.09

(M-H)-

6

6.241

3,4-Dihydroxybenzaldehyde

C₇H₆O₃

137.0243

0.44

(M-H)-

7

6.517

Gln Pro Pro

C₁₅H₂₄N₄O₅

339.1664

3.06

(M-H)-

8

6.617

dolichyl diphosphate

C₂₅H₄₆O₇P₂

519.266

-2.4

(M-H)-

9

8.346

PIP(18:1(9Z)/16:0)

C₄₃H₈₂O₁₆P₂

915.5015

-1.21

(M-H)-

10

8.86

PIP(20:1(11Z)/16:0)

C₄₅H₈₆O₁₆P₂

943.5328

-1.01

(M-H)-

11

9.285

ethyl 6,7-dimethoxy-4-oxo-2,3-dihydro-1 H-naphthalene-2-carboxylate

C₁₅H₁₈O₅

277.1084

-1.09

(M-H)-

12

9.574

(7’x,8’x)-4,7’-Epoxy-3,8’-bilign-7-ene-3,5’-dimethoxy-4’,9,9’-triol

C₂₀H₂₂O₆

357.1344

-1.16

(M-H)-

13

9.624

Glicoricone

C₂₁H₂₀O₆

367.1188

-1.16

(M-H)-

14

9.649

cis-4-Hydroxyequol

C₁₅H₁₄O₄

257.0819

-0.49

(M-H)-

15

9.799

2-Methoxyestrone 3-glucuronide

C₂₅H₃₂O₉

475.197

0.89

(M-H)-

16

9.924

5-[[4-(4-fluorophenyl)-3-piperidinyl]methoxy]-2-methoxy-, (3 S-trans)-Phenol glucuronide

C₂₅H₃₀FNO₉

506.1819

1.53

(M-H)-

17

9.937

Curcumin

C₂₁H₂₀O₆

367.1191

-1.62

(M-H)-

18

10

Lepidissipyrone

C₂₄H₂₂O₇

421.1293

-1.32

(M-H)-

19

10.087

Calebin A

C₂₁H₂₀O₇

383.1138

-1.33

(M-H)-

20

10.1

6,8-Dihydroxy-1,7-diprenylxanthone-2-carboxylic acid

C₂₄H₂₄O₆

407.1501

0.05

(M-H)-

21

10.325

(+)-Tephropurpurin

C₂₄H₂₄O₇

423.1451

-3.27

(M-H)-

22

10.401

Mangostenol

C₂₄H₂₆O₇

425.1609

-1.05

(M-H)-

23

10.438

Kanzonol Q

C₁₅H₁₆O₄

259.0976

-0.32

(M-H)-

24

10.764

Epoxy (4,5α)-4,5-Dihydrosantonin

C₁₅H₁₈O₄

261.1133

-0.45

(M-H)-

25

10.902

Valdiate

C₁₇H₂₆O₅

309.1707

1.06

(M-H)-

26

10.939

9 S,10 S,11R-trihydroxy-12Z-octadecenoic acid

C₁₈H₃₄O₅

329.2331

0.52

(M-H)-

27

11.027

1,2,3,4-Tetrahydro-1-[1-hydroxy-3-(4-hydroxyphenyl)-2-propenyl]-7-methoxy-2,6-naphthalenediol

C₂₀H₂₂O₅

341.1393

0.8

(M-H)-

28

11.102

Curcumin

C₂₁H₂₀O₆

367.1187

-0.22

(M-H)-

29

11.127

Piperic acid

C₁₂H₁₀O₄

217.0509

-0.69

(M-H)-

30

11.252

Valdiate

C₁₇H₂₆O₅

309.1709

-0.11

(M-H)-

31

11.265

Myrsinone

C₁₇H₂₆O₄

293.1757

0.44

(M-H)-

32

11.428

12-Dehydroporson

C₂₂H₂₄O₆

383.1504

-0.72

(M-H)-

33

12.004

Olmesartan Medoxomil

C₂₉H₃₀N₆O₆

557.218

-4.98

(M-H)-

34

12.054

8-HpODE

C₁₈H₃₂O₄

311.2227

0.47

(M-H)-

35

12.255

13(S)-HOTrE

C₁₈H₃₀O₃

293.2122

-0.39

(M-H)-

36

12.505

9(R)-HODE

C₁₈H₃₂O₃

295.2276

0.72

(M-H)-

37

12.53

3,4-Dimethyl-5-pentyl-2-furanheptanoic acid

C₁₈H₃₀O₃

293.212

0.72

(M-H)-

38

12.806

trans-Δ2-11-methyl-Dodecenoic Acid

C₁₃H₂₄O₂

211.17

1.67

(M-H)-

39

12.906

Amoricin

C₃₁H₃₆O₆

503.2439

0.28

(M-H)-

40

13.332

16-hydroxy hexadecanoic acid

C₁₆H₃₂O₃

271.2275

1.32

(M-H)-

41

13.357

Pinolenic Acid

C₁₈H₃₀O₂

277.2173

-0.33

(M-H)-

42

13.457

(+)-Isomyristic acid

C₁₄H₂₈O₂

227.2014

0.92

(M-H)-

43

13.507

Δ2-cis-Hexadecenoic Acid

C₁₆H₃₀O₂

253.2169

1.7

(M-H)-

44

13.532

1α-hydroxy-23-[3-(1-hydroxy-1-methylethyl)phenyl]-22,22,23,23-tetradehydro-24,25,26,27-tetranorvitamin D3 / 1α-hydroxy-23-[3-(1-hydroxy-1-methylethyl)phenyl]-22,22,23,23-tetradehydro-24,25,26,27-tetranorcholecalciferol

C₃₂H₄₂O₃

473.3053

1.8

(M-H)-

45

13.708

10E,12Z-Octadecadienoic acid

C₁₈H₃₂O₂

279.2327

0.64

(M-H)-

46

14.033

Isopalmitic acid

C₁₆H₃₂O₂

255.2327

0.94

(M-H)-

47

14.159

Vaccenic acid

C₁₈H₃₄O₂

281.2483

0.86

(M-H)-

48

14.334

5(Z),14(Z)-Eicosadienoic Acid

C₂₀H₃₆O₂

307.2638

1.59

(M-H)-

Positive mode

1

3.346

Nordihydrocapsaicin

C₁₇H₂₇NO₃

294.2053

3.78

(M + H)+

2

4.824

Acetylagmatine

C₇H₁₆N₄O

195.1223

-4.21

(M + Na)+

3

5.638

N-omega-propyl-L-Arginine

C₉H₂₀N₄O₂

239.1487

-4.49

(M + Na)+

4

5.726

Isopropyl beta-D-glucoside

C₉H₁₈O₆

245.0993

1.16

(M + Na)+

5

6.052

Met Gly Asn

C₁₁H₂₀N₄O₅S

161.065

-0.61

(M + 2 H) + 2

6

6.403

Ser Ser Arg

C₁₂H₂₄N₆O₆

349.1836

-2.12

(M + H)+

7

6.428

Istamycin AP

C₁₃H₂₈N₄O₄

327.2017

-4.84

(M + Na)+

8

6.603

Ser Ser Arg

C₁₂H₂₄N₆O₆

349.183

-0.43

(M + H)+

9

6.628

Istamycin AP

C₁₃H₂₈N₄O₄

327.2014

-3.67

(M + Na)+

10

6.804

(6RS)-22-oxo-23,24,25,26,27-pentanorvitamin D3 6,19-sulfur dioxide adduct / (6RS)-22-oxo-23,24,25,26,27-pentanorcholecalciferol 6,19-sulfurdioxide adduct

C₂₂H₃₂O₄S

393.21

-1.67

(M + Na)+

11

6.829

1-epi-Fortimicin B

C₁₅H₃₂N₄O₅

371.2279

-4.14

(M + Na)+

12

6.853

Gln Leu Lys

C₁₇H₃₃N₅O₅

388.2548

1.5

(M + H)+

13

7.104

Istamycin C1

C₁₉H₃₇N₅O₆

432.2803

2.88

(M + H)+

14

7.317

Arg Gln Arg

C₁₇H₃₄N₁₀O₅

481.2622

-3.73

(M + Na)+

15

7.317

Arg Gln Arg

C₁₇H₃₄N₁₀O₅

459.2804

-4.04

(M + H)+

16

7.354

(14alpha,17beta,20 S,22R)-14,20-Epoxy-17-hydroxy-1-oxowitha-3,5,24-trienolide

C₂₈H₃₆O₅

249.1175

-0.28

(M + 2Na) + 2

17

7.605

PG(17:1(9Z)/0:0)

C₂₃H₄₅O₉P

271.1303

-4.04

(M + H)+

18

7.781

Ceanothine E

C₃₄H₄₀N₄O₄

569.3143

-3.46

(M + 2Na) + 2

19

7.805

Ciclesonide

C₃₂H₄₄O₇

293.1439

-0.71

(M + 2Na) + 2

20

7.956

Huratoxin

C₃₄H₄₈O₈

315.157

-0.38

(M + 2Na) + 2

21

8.156

PI(20:0/0:0)

C₂₉H₅₇O₁₂P

337.1699

-3.82

(M + 2Na) + 2

22

8.507

PA(20:5(5Z,8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))

C₄₅H₆₇O₈P

789.4444

2.96

(M + 2Na) + 2

23

8.532

PA(18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))

C₄₃H₆₉O₈P

767.4624

-0.41

(M + Na)+

24

8.557

PA(20:5(5Z,8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))

C₄₅H₆₇O₈P

384.235

2.13

(M + Na)+

25

8.708

Pectenotoxin 2 secoacid

C₄₇H₇₂O₁₅

877.4968

-2.94

(M + H)+

26

8.733

PG(22:4(7Z,10Z,13Z,16Z)/17:1(9Z))

C₄₅H₇₉O₁₀P

428.2612

-3.8

(M + 2Na) + 2

27

8.758

Pectenotoxin 2 secoacid

C₄₇H₇₂O₁₅

439.2522

-2.89

(M + 2 H) + 2

28

8.833

Hebevinoside XIII

C₄₉H₇₆O₁₆

461.2652

-2.56

(M + 2 H) + 2

29

8.858

Hebevinoside XIII

C₄₉H₇₆O₁₆

921.5232

-2.71

(M + H)+

30

8.908

PI(P-20:0/20:4(5Z,8Z,11Z,14Z))

C₄₉H₈₇O₁₂P

472.2872

-2.88

(M + 2Na) + 2

31

9.009

PI(22:4(7Z,10Z,13Z,16Z)/20:0)

C₅₁H₉₁O₁₃P

494.3009

-3.46

(M + 2Na) + 2

32

9.058

PI(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:1(11Z))

C₅₃H₈₉O₁₃P

505.2921

-1.09

(M + 2Na) + 2

9.259

Cinnamyl propionate

C₁₂H₁₄O₂

191.1064

1.17

(M + H)+

34

10.261

1-(3,4-Dihydroxyphenyl)-7-(4-hydroxy-3-methoxyphenyl)-1,6-heptadiene-3,5-dione

C₂₀H₁₈O₆

377.0991

1.33

(M + Na)+

35

10.412

Moracin L

C₁₉H₁₆O₅

347.0885

1.6

(M + Na)+

36

10.612

Cinnamyl propionate

C₁₂H₁₄O₂

191.1064

1.49

(M + H)+

37

10.637

Helinorbisabone

C₁₄H₁₈O₄

273.1091

2.43

(M + Na)+

38

11.013

Albafuran B

C₂₄H₂₆O₄

379.1897

2.03

(M + H)+

39

11.038

(S)-(E)-8-(3,6-Dimethyl-2-heptenyl)-4’,5,7-trihydroxyflavanone

C₂₄H₂₈O₅

419.1824

-0.15

(M + Na)+

40

11.138

Kamolonol

C₂₄H₃₀O₅

421.1978

2.02

(M + Na)+

41

11.163

Curcumin

C₂₁H₂₀O₆

369.1327

1.49

(M + H)+

42

11.314

Cinnamyl propionate

C₁₂H₁₄O₂

191.1063

1.93

(M + H)+

43

11.514

Kamolonol

C₂₄H₃₀O₅

421.1976

2.55

(M + Na)+

44

11.639

Isoamyl p-anisate

C₁₃H₁₈O₃

223.1324

2.18

(M + H)+

45

11.664

Olmesartan Medoxomil

C₂₉H₃₀N₆O₆

559.2317

-3.11

(M + H)+

46

11.715

2-(2-Furanyl)-3-methyl-2-butenal

C₉H₁₀O₂

151.075

2.91

(M + H)+

47

11.965

5,7-Dihydroxy-4’-methoxy-8-C-prenyl-3’-(3-hydroxy-3-methylbutyl)flavanone

C₂₆H₃₂O₆

463.2081

1.99

(M + Na)+

48

12.516

Heliocide H2

C₂₅H₃₀O₅

433.1979

1.57

(M + Na)+

49

12.516

2-Geranyl-3,4,2’,4’-tetrahydroxydihydrochalcone

C₂₅H₃₀O₅

411.2161

1.5

(M + H)+

50

12.729

Tokinolide A

C₂₄H₂₈O₄

381.2054

1.61

(M + H)+

51

12.754

14-Methoxy-4,4-Bisnor-4,8,11,13-Podocarpatetraen-3-One

C₁₆H₁₈O₂

243.1374

2.38

(M + H)+

52

13.268

(±)7-HDoHE

C₂₂H₃₂O₃

367.2236

2.67

(M + Na)+

53

13.368

Lucyin A

C₃₀H₄₆O₅

509.3221

3.5

(M + Na)+

54

13.418

21-Hydroxyisoglabrolide

C₃₀H₄₄O₅

507.3067

2.68

(M + Na)+

55

13.919

PA(17:0/0:0)

C₂₀H₄₁O₇P

425.2649

3.14

(M + H)+

56

14.671

BIX01294

C₂₈H₃₈N₆O₂

491.312

1.81

(M + H)+

57

14.871

13E-Docosenamide

C₂₂H₄₃NO

338.3407

3.06

(M + H)+

58

14.971

(24RS)-28,28,28-trifluoro-25-hydroxyvitamin D2 / (24RS)-28,28,28-trifluoro-25-hydroxyergocalciferol

C₂₈H₄₁F₃O₂

467.3116

2.71

(M + H)+

59

15.222

PA(22:1(11Z)/0:0)

C₂₅H₄₉O₇P

493.3276

2.53

(M + H)+

60

15.247

6-Deoxodolichosterone

C₂₈H₄₈O₄

471.3458

-2.71

(M + Na)+

61

15.836

Secasterone

C₂₈H₄₆O₄

469.3279

2.33

(M + Na)+

62

15.861

Cinnamyl propionate

C₁₂H₁₄O₂

191.106

2.7

(M + H)+

63

15.873

Secasterone

C₂₈H₄₆O₄

447.3456

3.04

(M + H)+

64

16.024

Maslinic Acid

C₃₀H₄₈O₄

495.3433

2.64

(M + Na)+

65

16.074

ergosta-3beta,5alpha,6beta,25-tetrol

C₂₈H₅₀O₄

473.3608

-1.35

(M + Na)+

66

16.274

3,6,9-Heptacosatriene

C₂₇H₅₀

397.3814

-2.47

(M + Na)+

67

16.287

Schottenol 3-glucoside

C₃₅H₆₀O₆

599.4265

3.17

(M + Na)+

68

16.976

cholesteryl hemisuccinate

C₃₁H₅₀O₄

509.3583

3.67

(M + Na)+

69

17.277

20,24-Epoxy-25,26-dihydroxydammaran-3-one

C₃₀H₅₀O₄

497.359

2.47

(M + Na)+

70

18.654

GlcCer(d16:2(4E,6E)/22:0(2OH))

C₄₄H₈₃NO₉

792.5933

3.81

(M + Na)+

71

20.057

18Z,21Z-Heptacosadien-10-one

C₂₇H₅₀O

413.3763

-2.01

(M + Na)+