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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
ϒ-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-PGF C20H34O5 27595 76.5 9.60 ND
14(S)-hydroxy Docosahexaenoic Acid C22H32O3 119433-37-3 24.9 6.65 30.76
15R-PGF 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-PGF C20H34O5 214748-65-9 69.0 9.60 ND
8-iso-PGF 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 F (PGF) 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