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Table 1 Amino acid and eicosanoid concentrations in healthy human saliva and healthy EBC

From: Determining the presence of asthma-related molecules and salivary contamination in exhaled breath condensate

 

Compound

Formula

Identifier

Clean-EBC(ng/mL)

Saliva-EBC (ng/mL)

Saliva (ng/mL)

Amino acids

1-methylhistidine/3-methylhistidine

C7H11N3O2

70958/70959

518.0

1276.1

1 256 059

α-amino-n-butyric acid/β-aminoisobutryic acid

C4H9NO2

35621

316.3

41.3

90 579

Alanine/β-Alanine

C3H7NO2

16449

58.1

51.9

13.84

Anserinea

C10H16N4O3

18323

ND

ND

ND

Arginine

C6H14N4O2

29016

1211.6

6016.8

101 238

Asparagine

C4H8N2O3

22653

ND

8.6

7575

Aspartic acid

C4H7NO4

22660

10.7

19.4

11 387

Carnosinea

C9H14N4O3

15727

ND

ND

ND

Citrulline

C6H13N3O3

18211

302.2

304.8

16 922

Creatinine

C4H7N3O

16737

237.5

396.9

88 368

Cystathionine

C7H14N2O4S

17755

930.7

1756.2

ND

Cysteinea

C3H7NO2S

15356

ND

ND

ND

Ethanolamine

C2H7NO

16000

52.5

230.9

20 887

Ï’-aminobutyric acid

C4H9NO2

16865

41.3

56.1

13 705

Glutamic acid

C5H9NO4

18237

77.0

29.6

49 725

Glutamine

C5H10N2O3

28300

24.6

162.4

18 423

Glycine

C2H5NO2

15428

5.99

11.4

1739

Histidine

C6H9N3O2

27570

401.2

316.5

14 751

Homocystinea

C4H9NO2S

17485

ND

ND

ND

Hydroxylysine

C6H14N2O3

60175

205.6

283.3

133 890

Hydroxyprolinea

C5H9NO3

24741

ND

ND

ND

L-Aminoadipic acid

C6H11NO4

37024

373.3

696.5

27 008

L-Cystine

C6H12N2O4S2

17376

55.6

295.2

60 301

Leucine/Isoleucine

C6H13NO2

25017/24898

100.2

507.1

99 237

Lysinea

C6H14N2O2

18019

ND

ND

ND

Methioninea

C5H11NO2S

16643

ND

ND

ND

Ornithine

C5H12N2O2

18257

20.3

167.8

71 403

Phenylalanine

C9H11NO2

28044

0.196

78.6

12 685

Phosphoethanolaminea

C2H8NO4P

36711

ND

ND

ND

Phosphoserine

C3H8NO6P

37712

685.1

3926.3

329 903

Proline

C5H9NO2

26271

111.4

1088.9

25 577

Sarcosine

C3H7NO2

16511

78.0

143.8

56 894

Serine

C3H7NO3

17822

2.17

1.98

26 140

Taurine

C2H7NO3S

15891

ND

405.7

53 156

Threonine

C4H9NO3

26986

4055.0

6.67

1223

Tryptophan

C11H12N2O2

27897

431.3

245.9

30 868

Tyrosine

C9H11NO3

18186

ND

27.1

12 607

Valine

C5H11NO2

27266

57.3

109.8

25 238

 

Urea (negative mode)

CH4N2O

16199

1.56

51.4

3651

Urea (positive mode)

CH4N2O

16199

2.22

65.1

5802

Eicosanoids

10(S),17(S)-DiHDoHE (Protectin DX)

C22H32O4

871826-47-0

0.084

0.176

166.83

11β-PGF2α

C20H34O5

27595

76.5

9.60

ND

14(S)-hydroxy Docosahexaenoic Acid

C22H32O3

119433-37-3

24.9

6.65

30.76

15R-PGF2α

C20H34O5

37658-84-7

74.8

9.60

ND

17(S)-hydroxy Docosahexaenoic Acid

C22H32O3

155976-53-7

1.07

4.28

798.09

8-iso-15R-PGF2α

C20H34O5

214748-65-9

69.0

9.60

ND

8-iso-PGF2α

C20H34O5

34505

72.3

9.60

ND

Lipoxin A4 (LXA4)

C20H32O5

6498

10.4

14.9

906

Leukotriene B4 (LTB4)

C20H32O4

15647

1.56

1.78

105

Leukotriene C4 (LTC4)

C30H47N3O9S

16978

3.68

59.4

10 898

Leukotriene D4 (LTD4)

C25H40N2O6S

28666

0.26

2.85

175.71

Leukotriene E4 (LTE4)

C23H37NO5S

15650

1.05

29.5

1842

Prostaglandin E2 (PGE2)

C20H32O5

15551

3.87

31.0

ND

Prostaglandin F2α (PGF2α)

C20H34O5

15553

0.010

0.010

2.54

Resolvin D1 (RVD1)

C22H32O5

81564

3.08

6.91

2193

Resolvin D2 (RVD2)

C22H32O5

81565

ND

898.5

272 983

  1. Saliva, clean-EBC, and saliva-EBC were collected from 13healthy volunteers (Cohort 1) as described in methods. Samples were pooled and 5 μL of each sample was injected onto an analytical column. Amino acids and eicosanoids were spiked into a control water sample and underwent the EBC sample collection procedure as shown in Fig. 2a. These authentic amino acid and eicosanoid standards were used to confirm compound identities in the EBC and saliva samples using exact mass, isotope ratios and retention time matching. Isomers could not be separated or differentiated using the LC-MS method described, and are listed together.NDindicates not detected. ng/mL indicates the calculated concentration of amino acids and eicosanoids in each of the pooled samples. Compound identifiers are ChEBI except for 5 eicosanoids with CAS identifiers. aindicates undetected in all three sample groups