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Table 2 Identification of intracellular metabolites in P. curvatum AW02 grown using palm oil and glucose as carbon source

From: Comparative metabolomics of Phialemonium curvatum as an omnipotent fungus cultivated on crude palm oil versus glucose

N

RT m/z value

Ion adduct

Major Fragments

Molecular formula

Mass Error (ppm)

Metabolite identification

Id. levela

Reference

Class

Trend Palm oil/Glucose

Fold change

bVIP

p-value

FDR

1

2.48 min 387.115 m/z

[M−H + CHO2H]–

179.053, 341.101, 161.038

C12H22O11

1

*Trehalose

1

Standard

alpha-linked disaccharide/monosaccharide

Down

− 4.0

3.03

1.22 × 10−8

4.65 × 10−7

2

2.47 min 729.233 m/z

[M−2H + CHO2H]–

341.102, 387.106, 342.105, 179.052

C12H22O11

5

*Trehalose

1

Standard

alpha-linked disaccharide/monosaccharide

Down

− 16

2.46

7.54 × 10−5

0.000915

3

7.97 min 329.234 m/z

[M−H]–

329.227, 285.198, 330.230, 311.220

C18H33O5

2

*Unknown

4

N.A

N.A

Up

21

1.72

5.78 × 10−5

0.000915

4

2.45 min 227.077 m/z

[M−H + CHO2H]–

n/a

C6H14O6

1

Mannitol, d-Sorbitol, d-Iditol, l-Iditol, Galactitol, l-Glucitol

3

MetLin

Sugar alcohol

Down

− 3.0

1.41

0.008242

0.019553

5

8.02 min 399.277 m/z

[M−H]–

n/a

C28H36N2

8

*2,5-Bis(4-hexylphenyl)pyrimidine, Pyrimidine, 5-heptyl-2-(4′-pentyl[1,1′-biphenyl]-4-yl)-,

3

MetLin

Pyrimidine derivative

Down

− 6.0

1.05

0.000991

0.003423

6

7.69 min 452.280 m/z

[M−H]–

255.231, 196.036, 385.296

C28H39NO4

1

Unknown

4

N.A

N.A

Down

− 4.0

1.05

0.007892

0.019553

7

2.37 min 302.101 m/z

[M−H + CHO2H]–

168.035, 242.075, 152.989, 169.039

C8H21NO6P

1

*Glycero-phosphocholine

2

MetLin

Lipid

Down

− 3.0

1.01

0.001922

0.006087

8

3.80 min 333.061 m/z

[M−H]–

152.991, 241.006, 171.000

C9H19O11P

5

*sn-Glycero-3-phospho-1-inositol

2

MetFrag

Lipid

Down

− 11

1.00

9.63 × 10−05

0.000915

9

4.05 min 191.020 m/z

[M−H]–

111.00, 105.32

C6H8O7

1

*Citric acid

1

Standard

Organic acid

Down

− 9.0

0.97

0.000193

0.00124

10

2.45 min 181.071 m/z

[M−H]–

n/a

C6H14O6

4

Mannitol, d-Sorbitol, d-Iditol, l-Iditol, Galactitol, l-Glucitol

3

MetLin

Sugar alcohol

Down

− 2.0

0.76

0.015403

0.027873

11

8.18 min 599.529 m/z

[M−H]–

n/a

C32H68N6O4

10

Oxalic acid–N″-tetradecylguanidine (1/2)

3

MetLin

Organic acid derivative

Down

− 2.0

0.76

0.25175

0.31888

12

2.49 min 431.106 m/z

[M−H]–

n/a

C24H20N2O4S

3

Benzenamine, 3,3′-[sulfonylbis(4,1-phenyleneoxy)]bis-

3

MetLin

Organic compound

Down

− 5.0

0.74

0.000979

0.003423

14

2.35 min 403.152 m/z

[M−H]–

n/a

C20H24N2O7

2

Myxochelin A, Desmethylnimodipine, 4-Hydroxy Nisoldipine,

3

MetLin

Siderophores 

Down

− 7.0

0.614

0.003575

0.010449

15

8.21 min 299.260 m/z

[M−H]–

n/a

C18H36O3

2

Hydroxy octadecanoic acid, Hydroxy stearic acid

3

MetLin

Long-chain fatty acids

Down

− 4.0

0.572

0.012189

0.024379

18

8.23 min 281.249 m/z

[M−H]–

n/a

C18H34O2

1

Octadenoic acid

3

MetLin

Fatty acid

Down

− 3.0

0.52

0.4428

0.50989

19

8.18 min 635.527 m/z

[M−H]–

279.232

C43H72O3

22

1-(8-[3] -ladderane-octanyl)-2-(8-[3]-ladderane-octanyl)-sn-glycerol

2

MetFrag

Glycerolipids

Up

2.

0.52

0.34365

0.41485

20

7.93 min 279.203 m/z

[M−H]–

235.205

C17H28O3

23

10-Heptadecatrienoic acid

2

MetFrag

Receptor for protein

Down

− 1.0

0.52

0.72667

0.76704

22

3.15 min 346.059 m/z

[M−H]–

134.047, 211.007

C10H14N5O7P

9

Adenosine monophosphate

2

MetLin

Nucleotide

Down

− 7.0

0.48

0.008747

0.019553

23

3.94 min 335.076 m/z

[M−H]–

n/a

C16H16O8

3

3-Caffeoyl-1,5-quinolactone, 3-O-Caffeoylshikimic acid, 4-O-Caffeoylshikimic acid

3

MetLin

Cinnamic acids and derivatives

Down

− 5.0

0.41

0.000196

0.00124

24

2.35 min 214.048 m/z

[M−H]–

140.006, 84.558

C5H14NO6P

1

sn-Glycero-3-phosphoethanolamine

2

MetFrag

Glycerophospholipid 

Down

− 2.0

0.38

0.14053

0.19779

25

3.00 min 306.078 m/z

[M−H]–

141.061, 128.023, 127.051, 143.045

C10H17N3O6S

4

Glutathione

2

MetLin

Coenzyme

Down

− 3.0

0.38

0.005326

0.014456

27

2.28 min 253.085 m/z

[M−H]–

209.060, 136.006

C16H14O3

7

Unknown

4

N.A

N.A

Up

2.0

0.31

0.22601

0.29615

28

3.23 min 133.014 m/z

[M−H]–

n/a

C4H6O5

1

Malic acid

3

MetLin

Organic acid

Down

− 3.0

0.27

0.036495

0.063038

29

2.34 min 471.151 m/z

[M−H]–

n/a

C21H28O12

0

1-O-Cinnamoyl-beta-d-gentiobiose

3

MetLin

Phenylpropanoid

Down

− 2.0

0.23

0.078267

0.11897

30

7.44 min 399.277 m/z

[M−H]–

n/a

C22H40O6

4

3-O-Cetyl ascorbic acid, Nonadecane-1,1,1-tricarboxylic acid

3

MetLin

Organic acid derivative

Down

-1.0

0.12

0.48306

0.53989

  1. All metabolites were identified at fragmentation level (if fragments available). a level of identification; 1: the identification was verified with standard at fragmentation level, 2: the identification was done at fragmentation level by matching with online library as stated in reference column, 3: the identification was done using SmartFormula (Bruker, Germany) and mass accuracy solely based on parent ion mass due to unavailable fragments. b VIP: variable importance projector which indicate the variance of sample cause by the metabolite. VIP > 0.95 indicates the metabolite cause high variance among sample subject to cross refer with p-value and FDR (false discovery rate). * Significant different metabolites from VIP > 0.95 and supported with p-value < 0.01 and FDR cut-off 0.01