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