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Table 2 Significant metabolomic features with putative annotation for local leaf samples of non-inoculated (CD-Loc) versus Trichoderma Harzianum T22-inoculated (TD-Loc), Nezara viridula-damaged plants. Metabolites are grouped according to in which treatment they accumulated to a higher level, and within each group according to their q-value

From: The plant-beneficial fungus Trichoderma harzianum T22 modulates plant metabolism and negatively affects Nezara viridula

Feature IDa

m/zb

RTc

Molecular formula

Annotation

pathway leveld

Annotation

superclass leveld

Annotation

class leveld

Differencee

q-valuef

Higher accumulation in CD-Loc versus TD-Loc

1

200.2375

7.58

unknowng

unknown

unknown

unknown

-3.04

0.009

2

246.1449

3.21

unknown

unknown

unknown

unknown

-1.99

0.010

3

446.1592

1.24

unknown

unknown

unknown

unknown

-1.66

0.013

4

248.1242

2.18

unknown

unknown

unknown

unknown

-1.87

0.014

5

172.0606

3.36

unknown

unknown

unknown

unknown

-2.35

0.014

6

233.0423

1.83

unknown

unknown

unknown

unknown

-2.81

0.015

7

474.2924

5.33

C21H39N5O7

Amino acids and peptides

Small peptides

Tripeptides

-2.38

0.015

8

207.1381

7.08

C13H18O2

Terpenoids

Monoterpenoids

Menthane terpenoids

-0.86

0.016

9

307.0938

4.45

unknown

unknown

unknown

unknown

-1.02

0.018

10

190.0712

3.36

unknown

unknown

unknown

unknown

-2.46

0.018

11

212.1396

1.98

unknown

unknown

unknown

unknown

-2.09

0.019

12

202.0870

6.64

unknown

unknown

unknown

unknown

-0.73

0.019

13

178.1341

5.97

C10H15N3

Alkaloids

Nicotinic acid alkaloids

Pyridine alkaloids

-4.16

0.019

14

130.0500

3.35

unknown

unknown

unknown

unknown

-1.73

0.019

15

89.0419

3.53

unknown

unknown

unknown

unknown

-1.58

0.020

16

237.1234

6.12

unknown

unknown

unknown

unknown

-1.93

0.023

17

247.0578

1.22

unknown

unknown

unknown

unknown

-1.91

0.027

18

258.1178

1.23

unknown

unknown

unknown

unknown

-1.47

0.027

19

312.0950

5.34

C11H15N5O6

Carbohydrates

Nucleosides

Pyrimidine nucleosides

-0.77

0.028

20

258.1101

1.23

C8H20NO6P

Fatty acids

Glycerophospholipids

Glycerophosphocholines

-1.66

0.028

21

129.1274

7.46

unknown

unknown

unknown

unknown

-0.93

0.029

22

164.0741

5.36

unknown

unknown

unknown

unknown

-1.01

0.029

23

225.1486

7.08

unknown

unknown

unknown

unknown

-0.71

0.029

24

260.1970

2.58

unknown

unknown

unknown

unknown

-1.10

0.029

25

69.0336

1.85

unknown

unknown

unknown

unknown

-1.40

0.030

26

263.0165

1.85

unknown

unknown

unknown

unknown

-1.94

0.030

27

260.1970

4.58

unknown

unknown

unknown

unknown

-1.21

0.031

28

162.0763

1.89

unknown

unknown

unknown

unknown

-1.84

0.031

29

232.1293

2.04

unknown

unknown

unknown

unknown

-1.39

0.034

30

258.1024

1.23

unknown

unknown

unknown

unknown

-3.30

0.036

31

460.2039

2.19

unknown

unknown

unknown

unknown

-1.55

0.038

32

188.9119

1.16

unknown

unknown

unknown

unknown

-1.48

0.038

33

244.0929

3.15

C9H13N3O5

Carbohydrates

Nucleosides

Pyrimidine nucleosides

-1.02

0.038

34

112.0506

3.14

C4H5N3O

Alkaloids

Histidine alkaloids

Imidazole alkaloids

-1.00

0.039

35

106.0499

1.17

unknown

unknown

unknown

unknown

-1.44

0.041

36

245.1861

6.62

unknown

unknown

unknown

unknown

-1.16

0.042

37

226.1310

1.85

unknown

unknown

unknown

unknown

-0.97

0.045

38

262.1400

4.91

unknown

unknown

unknown

unknown

-1.98

0.045

39

180.0868

1.82

C6H13NO5

Amino acids and peptides

(Small peptides)

Aminosugars

-1.48

0.045

Higher accumulation in TD-Loc versus CD-Loc

40

317.2110

7.14

C20H28O3

Terpenoids

Diterpenoids

Colensane and clerodane diterpenoids

3.39

0.009

41

721.3299

7.13

unknown

unknown

unknown

unknown

3.28

0.011

42

299.2005

7.12

C20H26O2

Terpenoids

Diterpenoids

Kaurane and phyllocladane diterpenoids

3.57

0.012

43

761.3249

7.08

unknown

unknown

unknown

unknown

4.20

0.012

44

182.0539

6.00

unknown

unknown

unknown

unknown

2.19

0.013

45

473.0393

5.99

unknown

unknown

unknown

unknown

2.28

0.014

46

513.2705

7.13

unknown

unknown

unknown

unknown

3.10

0.014

47

455.0809

5.99

C19H20O13

(Shikimates and phenylpropanoids) Terpenoids

Monoterpenoids

Iridoids monoterpenoids

2.57

0.014

48

85.2736

5.99

unknown

unknown

unknown

unknown

2.13

0.019

49

404.0834

5.98

unknown

unknown

unknown

unknown

2.45

0.019

50

360.1289

5.98

unknown

unknown

unknown

unknown

2.48

0.020

51

699.3196

7.13

C29H56O16

Fatty acids

Glycerolipids

(Acyclic monoterpenoids)

1.88

0.020

52

181.0497

5.99

C9H8O4

Shikimates and phenylpropanoids

Phenylpropanoids C6-C3

Cinnamic acids and derivatives

2.15

0.020

53

441.0131

6.00

unknown

unknown

unknown

unknown

3.16

0.020

54

341.0877

5.99

C15H18O9

Shikimates and phenylpropanoids

Coumarins

Simple coumarins

2.52

0.021

55

805.3310

7.40

C33H54N8O11S

Amino acids and peptides

Oligopeptides

Tripeptides

3.33

0.023

56

645.2921

7.57

unknown

unknown

unknown

unknown

3.00

0.026

57

449.1782

6.81

unknown

unknown

unknown

unknown

1.89

0.026

58

289.0895

4.43

unknown

unknown

unknown

unknown

2.01

0.026

59

229.1911

6.59

unknown

unknown

unknown

unknown

2.46

0.027

60

221.1900

7.15

unknown

unknown

unknown

unknown

2.89

0.028

61

220.1535

6.69

C8H19N4O3

Alkaloids

Ornithine alkaloids

Polyamines

4.85

0.029

62

203.1796

7.12

unknown

unknown

unknown

unknown

2.76

0.030

63

148.0815

1.21

unknown

unknown

unknown

unknown

5.10

0.030

64

805.3289

7.56

unknown

unknown

unknown

unknown

3.06

0.031

65

205.1588

7.12

unknown

unknown

unknown

unknown

1.85

0.037

66

309.1191

6.48

unknown

unknown

unknown

unknown

1.85

0.045

67

285.1308

7.01

C18H20OS

Shikimates and phenylpropanoids

(Sesquiterpenoids)

Chalcones

1.25

0.045

68

187.1486

7.13

unknown

unknown

unknown

unknown

2.44

0.049

  1. a Feature ID is a number purely given for indexing purposes
  2. bm/z = mass to charge ratio
  3. c RT = retention time (in minutes)
  4. d Preliminary putative annotation at the pathway, superclass and class level was performed using SIRIUS, based on Natural Products Classifier. Classifications shown in brackets indicate predictions flagged as highly unlikely, while the classification following the brackets reflects the manually overridden annotation
  5. e Student’s t-test difference
  6. f Student’s t-test q-value. Q-values are adjusted P-values using an optimised False Discovery Rate (FDR) approach
  7. g No putative annotation could be assigned for metabolites labelled “unknown”