Table 6 LC–MS/MS-based identification of the main metabolites in Moringa oleifera leaves crude ethanolic extract and its fractions (butanol and ethyl acetate).

From: Bioactivity-guided analysis of Moringa olifera fractionated extracts for potential medical application

Peak no

tR (min)

[M–H]–

[M + H]+

MS/MS

Annotation

Chemical class

Butanol fraction

Ethyl acetate fraction

Reference(s)

1

1.68

153

–

123, 109, 108, 91, 81, 80

Protocatechuic acid

Phenolic acids

–

 + 

29,41

2

1.81

353

–

191, 179, 161, 135

(neo)Chlorogenic acid

 

 +  + 

 + 

35

3

2.50

337

–

191, 163, 136, 119, 111

p–Coumaroylquinic acid

 

 +  + 

 + 

29,35

4

4.25

612

–

275, 148, 97, 75, 72

Acetyl–glucomoringin

Thioglycosides

   

(Glucosinolates)

 + 

–

31

      

5

4.88

313

–

161, 137, 121

Benzoylhydroxy ferulic acid

Phenolic acid

–

 + 

36

6

5.24

593

–

487, 353, 188

Vicenin–2

Flavonoid

 + 

–

35

7

5.45

324

–

235

Quinic acid pentoside*

Phenolic acid

–

 + 

36

8

6.35

463

–

300, 283, 151

Quercetin–O–hexoside

Flavonoids

 + 

 +  + 

43

9

6.70

447

–

284, 255, 227, 223, 211, 174, 151

Kaempferol–O–hexoside

 

 + 

 +  + 

35

10

6.77

187

–

187, 169, 125, 123, 97, 57

Gallic acid monohydrate

Phenolic derivative

–

 +  +  + 

43

11

6.94

533

–

285, 284, 283, 211, 185, 165

Kaempferol–malonylglucoside

Flavonoids

 + 

 +  + 

48

12

7.00

–

332

332, 314, 286, 256, 191, 177, 148, 91, 86

Pentahydroxy–methoxy–flavone

 

 +  + 

 + 

49

13

8.82

301

–

255, 205, 179, 151, 149, 121, 107, 83

Ellagic acid or quercetin

Phenolic derivative

–

 + 

50,51

14

8.85

327

–

193, 183, 137, 97, 57, 43

Unidentified

–

–

 + 

–

15

9.44

329

–

272, 249

Dimethyl–O–ellagic acid

Phenolic derivative

–

 + 

52

16

9.79

431

–

145

Unidentified

–

 + 

–

–

17

9.85

–

181*

181, 163, 145, 139, 135, 121, 107, 93, 91, 69

Theobromine

Alkaloid

–

–

53

18

10.7

307*

–

185, 125, 121

Catechin hydrate

Flavonoid

–

–

36

19

11.3

431

–

311, 283, 222, 215, 113

Vitexin

 

 + 

–

31,54,55

20

12.2

609

–

300, 301

Rutin

 

 + 

–

29,35

21

13.6

721

–

622, 560, 415, 144, 125, 89

Di–O–caffeoyl–O–sinapoyl–quinic acid

Phenolic derivative

 + 

 + 

56

22

13.9

489

–

297, 284, 171

Kaempferol acetyl glycoside

Flavonoid

 + 

 + 

29,31,57

23

14.3

293*

–

275, 265, 235, 211, 183, 181, 131, 121, 81

Hydroxy octa–decatrienoic Acid

Hydroxy fatty acids

–

–

31,36

24

14.3

409

–

161, 135, 133, 127, 85

Unidentified

–

 + 

–

–

25

14.5

–

277*

185, 161, 149, 135, 121, 107, 93, 79, 69, 43

Hydroxy hepta–decapentaenoic acid

Hydroxy fatty acid

–

–

36

26

15.3

327

–

312

Caffeoyl tartaric acid hexoside

Phenolic derivative

–

 + 

28

27

15.5

295*

–

295, 195, 183, 113

Hydroxy octa–decadienoic acid

Hydroxy fatty acid

–

–

36

28

16.3

621

–

149, 89, 57

Unidentified

–

 + 

–

–

29

18.1

555

–

555, 255, 225, 206, 153

SQMG 16:0

    

(sulfoquinovosyl monoacylglycerol)

Sulfolipids

 + 

–

58,59

     

30

26.1

–

391

273, 227, 209, 183, 167, 149, 111

Diethylhexylphthalate (DEHP)

Phthalates

–

 + 

30

  1. * Masses that were only detected in the ethanol extract, yet present in traces or neglected amounts in the butanol and ethyl acetate fractions.
  2. Based on the relative abundance of mass ions in the fractions, they were given symbols +  +  + (highly abundant), +  + , + , and – (not present).
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