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Table 3 Compounds detected in healthy, sick, and smoker EBC

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

Compound Smoker Nasal Cold Healthy RT (mins) Mass Formula Mode Identifier
1,3-Dicyclohexylureaa 8.876 224.1889 C13 H24 N2 O + CAS: 2387-23-7
13,14-dihydro Prostaglandin F1a 6.814 358.2736 C20 H38 O5 + CAS: 20592-20-5
1-Hydroxy-2-naphthoic acid 6.258 188.0472 C11 H8 O3 + KEGG: C03203
2-Amino-3,7-dideoxy-D-threo-hept-6-ulosonic acid 6.380 213.0620 C7 H13 N O5 + KEGG: C16850
C14 sphingosine 9.628 271.2141 C14 H29 N O2 - LMSP01040006
N-Acetyl-D-fucosamine 8.079 205.0950 C8 H15 N O5 + KEGG: C15480
p-Cymene 9.382 152.1205 C10 H14 + KEGG: C06575
Ureidoglycine 0.980 380.0903 C3 H7 N3 O3 - KEGG: C02091
15(S)-HPETE   10.185 264.2089 C20 H32 O4 + KEGG: C05966
6-hydroxy caproic acid   6.131 174.0890 C6 H12 O3 - KEGG: C06103
Homoserine   6.707 215.0406 C4 H9 N O3 - KEGG: C00263
PA(22:2/0:0)   6.118 490.3105 C25 H47 O7 P - KEGG: C00416
PI(12:0/12:0)   5.703 698.3983 C33 H63 O13 P - KEGG: C01194
Tetrahydrodipicolinate   7.780 153.0427 C7 H9 N O4 - KEGG: C03972
Threonine   8.939 233.0513 C4 H9 N O3 - KEGG: C00188
2-Oxo-4-hydroxy-5-aminovalerate    1.604 129.0426 C5 H9 N O4 - KEGG: C05941
N-Acetyl leucine    5.710 173.1055 C8 H15 N O3 - KEGG: C02710
2-Amino-m-cresola     0.811 123.0684 C7 H9 N O + CAS: 2835-97-4
3-Cyano-6-methoxycoumarina     5.936 201.0426 C11 H7 N O3 + -
3-Methylhistidinea     0.809 169.0851 C7 H11 N3 O2 + KEGG: C01152
4-Imidazoleacrylic acida     5.023 138.0429 C6 H6 N2 O2 + HMDB00301
5-Aminosalicylic acida     1.612 153.0426 C7 H7 N O3 + KEGG: C07138
Acetyl argininea     4.910 216.1222 C8 H16 N4 O3 + HMDB04620
Argininea     0.810 174.1117 C6 H14 N4 O2 + KEGG: C02385
Carnosinea     0.809 226.1066 C9 H14 N4 O3 + KEGG: C00386
D-erythro-Sphinganinea     5.186 301.2981 C18 H39 N O2 + LMSP01020001
Triethyl citratea     7.519 276.1209 C12 H20 O7 + CAS: 77-93-0
Tryptophana     4.079 204.0899 C11 H12 N2 O2 + KEGG: C00078
1alpha,24,25,28-tetrahydroxyvitamin D2     6.213 460.3189 C28 H44 O5 - LMST03010055
MG(18:1)   8.908 373.3185 C21 H40 O4 + KEGG: C01885
PC(18:1/22:6)   6.813 831.5785 C48 H82 N O8 P + KEGG: C00157
PG(18:4/20:4)   12.183 790.4734 C44 H71 O10 P + KEGG: C00344
O-decanoyl-R-carnitine     6.305 361.2453 C17 H33 N O4 - KEGG: C03299
Palmitoylglycine     9.931 335.2469 C18 H35 N O3 + HMDB13034
Arogenate    6.828 227.0775 C10 H13 N O5 - KEGG: C00826
α-Lipoic acida      5.666 206.0435 C8 H14 O2 S2 + KEGG: C00725
Ephedrinea      31.317 165.1154 C10 H15 N O + KEGG: C01575
3-Acetyl-8-methoxycoumarina      5.846 218.0579 C12 H10 O4 + HMDB34345
6-Hydroxymelatonina     1.184 248.1161 C13 H16 N2 O3 + KEGG: C05643
  1. EBC was collected from 13 volunteers and pooled into four groups; healthy smokers, healthy non-smokers, non-smokers with nasal congestion, and non-smokers with the common cold. indicates that a compound was detected. a indicates tandem MS fragmentation patterns were matched to the NIST14 Mass Spectral library using the NIST MS Search v.2.2 g program. MF: match factor; RMF: reverse match score. The fragmentation spectra for the listed compounds are available in the Additional file 7