Table 2 Table of compounds detected in positive and negative ionization modes.

1

2,16,19,20,25-Pentahydroxycucurbit-5-ene-3,11,22-trione

C₃₀H₄₆O₈

4.02

557.3082

[M + Na]⁺

557.3085

−0.52

536.7906, 512.2362, 496.5966, 481.2945

533.3131

[M-H]−

533.3109

4.13

427.2491, 515.3008, 497.2910, 301.1816

2

2,16,19,20,25-Pentahydroxycucurbita-5,23-diene-3,11,22-trione (2α,16β,20 R,23E)-form

C₃₀H₄₄O₈

4.13

577.3022

[M + HCOOH-H]⁻

577.3007

2.56

425.2338, 513.2860. 495.2780, 443.2437

555.2927

[M + Na]⁺

555.2928

−0.25

511.2225, 534.2230, 438.1933, 492.2522

3

2,16,20-Trihydroxycucurbita-1,5,25-triene-3,11,22-trione (16α,20 R)-form, 23,24E-didehydro, 2-O-β-D-glucopyranoside

C₃₆H₅₀O₁₁

4.11

681.3244

[M + Na]⁺

681.3245

−0.20

327.1031, 349.1274, 563.2526

4

22-Deoxocucurbitacin D

C₃₀H₄₆O₆

4.62

503.3363

[M + H]⁺

503.3367

−0.83

485.3256, 467.3154, 449.3045, 167.1062, 185.1172

5

22-Deoxocucurbitoside B

C₄₂H₆₂O₁₄

4.82

813.4032

[M + Na]⁺

813.4032

0.03

569.7445, 699.3225, 319.2262, 495.1852

835.4121

[M + HCOOH-H]⁻

835.4111

1.24

789.4066, 643.3511, 505.2947

6

25-Hydroxycucurbita-5,23-diene-3,7-dione

C₃₀H₄₆O₃

8.43

477.3333

[M + Na]⁺

477.3339

−1.29

433.2312, 394.0185

7

3,7,23-Trihydroxycucurbita-5,24-dien-19-al (3β,7β,23 S)-form, 7-O-β-D-glucopyranoside

C₃₆H₅₈O₉

7.13

657.3969

[M + Na]⁺

657.3973

−0.61

301.1422, 427.2155, 205.0293

679.4064

[M+HCOOH-H]⁻

679.4052

1.78

633.4005, 471.3463, 356.7645

8

3,7,25,26-Tetrahydroxycucurbita-5,23-dien-19-al (3β,7β,23E,25ξ) form, 7-O-β-D-glucopyranoside

C₃₆H₅₈O₁₀

4.15

673.3921

[M+Na]⁺

673.3922

−0.18

657.3561, 205.0273, 189.1658

695.4009

[M+HCOOH-H]⁻

695.4001

1.14

649.3140, 605.5615, 493.3949

9

3,7,25-Trihydroxycucurbita-5,23-dien-19-al

C₃₀H₄₈O₄

7.91

495.3448

[M+Na]⁺

495.3445

0.64

451.355

10

3,7,4′-Trihydroxyflavone (5-Deoxykaempferol)

C₁₅H₁₀O₅

4.14

293.0423

[M+Na]⁺

293.0420

0.87

NP

269.0452

[M-H]⁻

269.0445

2.79

NP

11

3-Hydroxy-7-methoxy-27-norcucurbita-5,23-dien-25-one

C₃₀H₄₈O₃

3.96

457.3679

[M+H]⁺

457.3676

0.61

305.2477, 179.1431, 439.3565, 421.3459, 287.2360

12

6-C-β-D-Glucopyranosyl-4′,5,7-trihydroxyflavone 2”-O-[4-hydroxy-E-cinnamoyl-( → 6)-β-D-glucopyranosyl]

C₃₆H₃₆O₁₇

3.37

741.2042

[M + H]⁺

741.2025

2.26

433.1130, 579.1417, 313.0706, 147.0440, 415.1021, 367.0809, 397.0913

739.1885

[M-H]⁻

739.1869

2.20

593.1515, 413.0880, 293.0450, 265.0723, 341.0659

13

6-C-β-D-Glucopyranosyl-4′,5,7-trihydroxyflavone 2”-O-[4-hydroxy-3-methoxy-E-cinnamoyl-( → 6)-β-D-glucopyranosyl]

C₃₇H₃₈O₁₈

3.37

771.2118

[M + H]⁺

771.2131

−1.67

433.1101, 415.1032, 177.0546, 313.0703, 367.0790, 337.0723

769.1986

[M-H]⁻

769.1974

1.51

413.0882, 593.1479, 523.1353, 235.0612

14

6-Methoxyluteolin

C₁₆H₁₂O₇

3.91

315.0510

[M-H]⁻

315.0499

3.40

301.0311, 271.0223, 255.0294,

15

Acutoside A

C₄₂H₆₈O₁₃

6.20

803.4560

[M + Na]⁺

803.4552

0.98

641.4027, 191.1791, 439.3573, 349.0723

825.4639

[M + HCOOH-H]⁻

825.4631

0.97

618.4083, 207.0506, 779.4564, 659.4155

16

Apigenin-7-O-β-D-glucopyranoside (Apigetrin)

C₂₁H₂₀O₁₀

3.34

455.0948

[M + Na]⁺

455.0949

−0.15

437.0853, 365.0682, 335.0546

431.0986

[M-H]⁻

431.0973

3.08

311.0560, 341.0665, 269.0479

17

Bryoamaride

C₃₆H₅₄O₁₂

3.77

701.3502

[M + Na]⁺

701.3507

−0.78

349.1250

723.3603

[M+HCOOH-H]⁻

723.3586

2.30

677.3542, 497.2909, 659.3444, 515.3020

18

Chrysoeriol

C₁₆H₁₂O₆

4.28

299.0555

[M-H]⁻

299.0550

1.63

284.0320, 255.0291, 227.0371

19

Colocynthoside A

C₃₈H₅₄O₁₄

3.53

757.3406

[M+Na]⁺

757.3406

0.03

697.3188, 365.1202

779.3496

[M+HCOOH-H]⁻

779.3485

1.46

733.3436, 553.2810, 493.2604, 672.2780

20

Cucurbit-5-ene-3,23,24,25-tetraol (3β,23 R,24 R)-form 3-O-[β-D-galactopyranosyl-(1 → 6)-β-D-galactopyranoside]

C₄₂H₇₂O₁₄

4.26

823.4818

[M + Na]⁺

823.4814

0.42

349.0710, 423.3627, 582.7825, 307.0598, 189.1628, 739.9498

845.4902

[M+HCOOH-H]⁻

845.4893

1.05

799.4849, 637.4320

21

Cucurbit-5-ene-3,23,24,25-tetrol (3β,23 R,24 S)-form,3-O-[β-D-glucopyranosyl-(1 → 6)-β-D-glucopyranoside], 25-O-β-D-glucopyranoside

C₄₈H₈₂O₁₉

3.84

985.5335

[M + Na]⁺

985.5343

−0.76

349.0692, 307.0597, 501.2505, 582.7740

22

Cucurbita-5(10),6,23-triene-3,25-diol 3β-form

C₃₀H₄₈O₂

3.86

441.3722

[M + H]⁺

441.3727

−1.15

423.3641, 231.1363, 173.1346, 189.1617

23

Cucurbita-5,23-diene-3,7,25-triol (3β,7β,23E)-form

C₃₀H₅₀O₃

4.26

441.3728

[M-H₂O + H]⁺

441.3727

0.21

423.3618, 189.1643, 161.1326, 203.1793

24

Cucurbita-5,24-diene-3,7,22,23-tetrol (3β,7α,22 S,23 S)-form, 3,23-di-O-β-D-allopyranoside

C₄₂H₇₀O₁₄

4.44

821.4653

[M + Na]⁺

821.4658

−0.58

349.0706, 581.2703, 247.0392, 499.2150, 419.2195

843.4753

[M + HCOOH-H]⁻

843.4737

1.94

797.4697, 635.4164

25

Cucurbitacin A 2-O-β-D-glucopyranoside

C₃₈H₅₆O₁₄

3.72

759.3564

[M + Na]⁺

759.3562

0.23

715.2998, 553.2460, 365.0908, 634.2750

26

Cucurbitacin C

C₃₂H₄₈O₈

4.74

583.3236

[M + Na]⁺

583.3241

−0.92

523.3031, 567.2886, 437.7494, 541.3094

605.3330

[M + HCOOH-H]⁻

605.3320

1.61

481.2963, 499.3059, 559.3277, 541.3163

27

Cucurbitacin D

C₃₀H₄₄O₇

4.20

539.2972

[M + Na]⁺

539.2979

−1.34

342.9670, 181.0847

28

Cucurbitacin E

C₃₂H₄₄O₈

4.84

579.2935

[M + Na]⁺

579.2928

1.14

519.2721, 485.2119, 355.1863

29

Cucurbitacin E 2-O-β-D-glucopyranoside

C₃₈H₅₄O₁₃

4.08

741.3460

[M + Na]⁺

741.3457

0.46

681.3248, 597.7910, 349.1254

763.3550

[M + HCOOH-H]⁻

763.3535

1.90

717.3487, 657.3276, 495.2745, 699.3376

30

Cucurbitacin F

C₃₀H₄₆O₇

4.15

541.3136

[M + Na]⁺

541.3136

0.05

483.2726, 531.7472, 465.2681

563.3226

[M + HCOOH-H]⁻

563.3215

2.02

517.3162, 499.3065, 385.2386

31

Cucurbitacin I

C₃₀H₄₂O₇

3.65

515.3006

[M + H]⁺

515.3003

0.52

497.2895, 479.2755, 385.1999

32

Cucurbitacin I 2-O-β-D-glucopyranoside

C₃₆H₅₂O₁₂

3.75

699.3352

[M + Na]⁺

699.3351

0.15

671.3258, 598.2973, 349.1256

721.3439

[M + HCOOH-H]⁻

721.3430

1.27

675.3383, 657.3262, 497.2907, 341.1762, 513.2852

33

Cucurbitacin J 2-O-β-D-glucopyranoside

C₃₆H₅₄O₁₃

3.65

717.3460

[M + Na]⁺

717.3457

0.47

633.8128, 349.1253, 497.2779

739.3548

[M + HCOOH-H]⁻

739.3535

1.69

605.2963, 675.3383, 425.2335, 513.2860

34

Cucurbitacin P

C₃₀H₄₈O₇

3.64

543.3294

[M + Na]⁺

543.3292

0.32

NP

565.3382

[M + HCOOH-H]⁻

565.3371

1.93

519.3332, 501.3227, 471.3118, 357.2429, 489.3237

35

Cucurbitacin Q

C₃₂H₄₈O₈

4.54

583.3233

[M + Na]⁺

583.3241

−1.44

523.303

605.3329

[M + HCOOH-H]⁻

605.3320

1.45

559.3278, 481.2967, 499.3080, 541.3182

36

Cucurbitacin S

C₃₀H₄₂O₆

3.76

499.3051

[M + H]⁺

499.3054

−0.63

481.2944, 317.2113, 385.2015, 463.2838

37

Cucurbitacin S 2-O-β-D-glucopyranoside

C₃₆H₅₂O₁₁

3.77

683.3399

[M+Na]⁺

683.3402

−0.41

349.1261, 158.9628

38

Dihydrocucurbitacin C

C₃₂H₅₀O₈

4.62

585.3393

[M+Na]⁺

585.3398

−0.84

525.3183, 225.0703, 485.3231, 183.0586

607.3490

[M+HCOOH-H]⁻

607.3477

2.18

561.3439, 483.3123, 501.3229, 543.3337, 359.2238

39

Kaempferol 3-O-neohesperidoside

C₂₇H₃₀O₁₅

3.27

595.1657

[M+H]⁺

595.1657

−0.08

433.1126, 415.1019, 313.0704, 337.0703, 367.0811, 271.0584

593.1513

[M-H]⁻

593.1501

2.03

413.0876, 293.0464, 473.1101, 542.1834

40

Karavilagenin D

C₃₀H₄₆O₄

6.87

493.3287

[M+Na]⁺

493.3288

−0.27

448.9751, 288.9226, 235.0106

41

Karaviloside IX

C₄₂H₆₈O₁₄

5.33

819.4501

[M+Na]⁺

819.4501

−0.03

349.0690

42

Karaviloside XIII

C₃₆H₅₈O₈

7.55

641.4013

[M+Na]⁺

641.4024

−1.70

479.3519, 560.9857. 512.9451, 185.0430

663.4110

[M+HCOOH-H]⁻

663.4103

1.09

455.3527, 617.4050, 207.0499, 371.3616

43

Khekadaengoside K

C₃₀H₄₂O₁₀

3.57

585.2668

[M+Na]⁺

585.2670

−0.37

349.1258, 423.2119, 501.7384

561.2706

[M-H]⁻

561.2694

2.10

543.2603, 399.2198

44

Kuguacin F

C₃₀H₄₂O₅

4.82

483.3109

[M+H]⁺

483.3105

0.83

341.2108, 441.2995, 383.2207

45

Kuguacin G

C₃₀H₄₄O₆

4.53

501.3209

[M+H]⁺

501.3211

−0.33

483.3107, 465.2999, 447.2893, 327.2320, 285.1849

46

Kuguacin H

C₃₀H₄₄O₅

6.29

507.3069

[M+Na]⁺

507.3081

−2.36

317.1040

47

Kuguaglycoside D

C₃₀H₅₀O₄

6.55

497.3603

[M+Na]⁺

497.3601

0.34

NP

48

Luteolin 7-O-β-D-glucopyranoside (Cynaroside)

C₂₁H₂₀O₁₁

3.20

449.1076

[M+H]⁺

449.1078

−0.53

299.0554, 353.0655, 329.0655, 395.0760, 413.0886

447.0930

[M-H]⁻

447.0922

1.82

357.0625, 327.0507, 429.0831, 297.0386

49

Meloside A

C₃₆H₃₆O₁₈

3.30

757.1970

[M+H]⁺

757.1974

−0.58

433.1122, 313.0704, 415.1018, 163.0388, 397.0901, 367.0813

755.1831

[M-H]⁻

755.1818

1.73

593.1515, 413.0893, 281.0664, 341.0870, 179.0350

50

Momordicoside E

C₃₇H₆₀O₁₂

4.25

695.4009

[M-H]⁻

695.4001

1.14

487.3411, 650.4022, 179.0559, 473.8553

51

Momordicoside O

C₄₂H₆₈O₁₅

3.67

835.4450

[M+Na]⁺

835.4450

−0.05

674.3980