column) (In the RT confirmed column, if the compound has been identified by running a pure standard then 1 is inserted otherwise a 0 is inserted.

Transkript

1 Table (2): A longitudinal study of volatile organic compounds detected in saliva of healthy individuals over 10 days and a comparison with literature data (see references column) (In the RT confirmed column, if the compound has been identified by running a pure standard then 1 is inserted otherwise a 0 is inserted.) Compound RT Subject Subject Subject Subject Subject Subject Subject Subject Subject Subject Presence References Name confirmed % 1 Ethyl alcohol F,G 2 Isopropyl alcohol A 3 1-Propanol methyl propanol, 5 1-Butanol Hexanal Nonanal ,3-Butanedione Heptanone A 10 Octane Limonene F 12 P-cymene Dehydro-pcymene S,2S,5R-1,4, Trimethyltricyclo [ (2,5)]dode c-8(9)-ene 15 Pyrrole Phenol C,E,F 17 o-xylene Styrene F 19 Dodecanal B 20 Acetone A,F,G 1

2 21 2,4-Dimethyl pentanone 22 Hexane E or Z-1,3- Octadiene Stereoisomers E or Z-1, Octadiene Stereoisomers (2-propenyl) Cyclohexene 26 1R-α-Pinene trans-carane unknown_ mins) 29 Indole F 30 2-Butyl octanol 31 Calamenene isomer ,3-Pentanedione Z -2-Octene p-xylene (Z)-3-Dodecene Acetaldehyde C, G 37 (E)-3-Dodecene Methyl isobutyl ketone 39 2-Undecanone B 40 Benzaldehyde F 41 2-Nonanone (-)-Z-Carane R,3Z,9S

3 2,6,10,10- Tetramethylbicycl o[7.2.0]undeca- 2,6-diene 44 (-)-Menthol ,4-Octadiene stereoisomers1 46 2,4-Octadiene stereoisomers2 47 Toluene F 48 2-Pentylfuran Pentanone ,3-Heptanedione β-terpinene (-)-β-bourbonene F 53 5-Methyl hexanone 54 2,5-Dimethyl-2, hexadiene 55 Acetonitrile Methylene chloride 57 2-Butanone A 58 (S)-Carvone Dodecene Humulen-(v1) unknown_ mins) 62 unknown_ mins) 63 unknown_ mins)

4 64 2-Decanone Undecane β-caryophyllene B,F 67 3-Methylbutanal Isothujol Camphene Benzene F 71 cis-3-decene Methylpropanoic acid 73 Anethole Propenoic acid, methyl-ethenyl ester 75 2-n-Butylfuran methyl Hexanone 77 Terpinolene Estragole Pentanal methyl-3-( methyl-2- propenyl)- Cyclopentane 81 Eucalyptol β-cubebene Methyl heptanone 84 Ethyl acetate Methylpentanal Octen-3-one

5 87 Calamenene isomer Tetradecene B 89 γ- terpinene (E)-β-Bourbonene δ-cadinene ,4-Dimethyl pentene 93 unknown_ mins) 94 Heptanal Octanal α-terpinene β-clovene Methylphenol C, F 99 2-Menthene (E)-5-Undecene, Isomenthone α-muurolene (Z)-3-Octene β-phellandrene (E)-7-Tetradecene Dodecanone B 107 isocaryophyllene p-menthene Decanal B 110 unknown_ mins) 111 unknown_

6 35.5mins) 112 Cyclohexane unknown_ mins) Methyl hepten-2-one 115 Cyclotetradecane α-bourbonene α-calacorene Methyl phenyl-azetidine 119 Menthofurane Allo-ocimene n-propyl acetate (Z)- 2-Octen-1-ol (+)-Ledene Ethyl-1-hexanol F Nonadecanone α-cubebene Methylpentane nerol Ylangene α-phellandrene thymol methyl pentenal 133 unknown_ mins) Tridecanone B 6

7 135 2,7,7-trimethyl Bicyclo[2.2.1]hep t-2-ene 136 Allyl F isothiocyanate 137 dimethyldisulfide F 138 β-elemene Neoclovene Hexanol Methylene ,5,5- trimethylcyclohex ene 142 unknown_ mins) 143 unknown_ mins) 144 Heptane unknown_ mins) 146 1R,3Z,9s-4,11, Trimethyl-8- methylenebicyclo [7.2.0]undec-3- ene 147 unknown_ mins) 148 Copaene Methacrolein unknown_ mins)

8 151 3,5-dimethyl Cyclohexanol 152 E-2-Octene R or S (-) 3, Dimethyl-1,6- octadiene 154 Hexylbenzene Dodecanol C,F 156 unknown_ mins) Methylbutanal unknown_ mins) octanone Methylcyclopenta C ne 161 unknown_ mins) 162 unknown_ mins) 163 3, Dimethylcyclohe xanol 164 Nonane methyl-3-( methyl-1- propenyl)- Cyclopentane Methyl butanol Pentanol (E)- 2-Butenal

9 169 (+) Dihydrocarvone 170 Piperitone unknown_ mins) 172 unknown_ mins) 173 4, Dimethylbenzofur an 174 unknown_ mins) 175 unknown_ mins) 176 (2α,3β,5β)-1,1, trimethyl-3,5- bis(1- methylethenyl)- Cyclohexane 177 4,5,9,10-dehydro Isolongifolene 178 (E,E)-2, Nonadienal isomer?? Methylheptane Dodecane B 181 Δ-Cadinene (Z)- 2-Heptenal Heptanone (E)-4,4-Dimethyl pentene 185 (E)

10 (methylthio)-1- propene, Methyl buten-2-one 187 trans Dihydrocarvone 188 unknown_ mins) 189 Allyl methylsulfide 190 unknown_ mins) 191 (dimethylamino) Acetonitrile Methyl penten-3-ol 193 Isoterpinolene unknown_ mins) 195 (E)- or (Z) C Nonenal 196 (E)- 3-Octene Tricyclene Isolimonene (E,Z)-2,4- Dodecadiene 200 unknown_ mins) 201 (Z)-1- (methylthio)-1- propene, (3- methylbutyl)

11 Cyclopentene Propenal Propanal Penten-3-one (-)-β-pinene α-fenchene β-myrcene Octanone Methylpentane unknown_ mins) 212 E,E-2, Dimethyl-1,3,5,7- octatetraene 213 1,3,8-p Menthatriene 214 (E)-or (Z) Tridecene 215 unknown_ mins) 216 unknown_ mins) 217 unknown_ mins) 218 Isopropyl F myristate 219 (R)-2-Butanol, E 220 (E) 2-Methyl-2- butenal, 221 (2- methylenebutyl)

12 Cyclopropane 222 3,3,5-Trimethylheptane unknown_ mins) 224 Dodecanoic acid ethyl ester 225 2,3-Octanedione trans-β-ocimene ,2-dimethyl-3, bis(1- methylethenyl)- Cyclohexane 228 (-)-β-cadinene unknown_ mins) 230 unknown_ mins) (Methylthio) propane 232 (-)-Calamenene isomer unknown_ mins) 234 unknown_ Isomer mins) 235 Isomenthyl acetate Acetyl methylfuran 237 Dihydrocarveol

13 238 2-Ethyl-2-hexenal Methyl vinyl ketone Methyleneheptan e Methyl heptene Acetyl methylcyclopente ne 243 2,4-Dimethyl (1-methylethyl)- benzene ( methylethenyl)-3- (1-methylethyl)- Benzene 245 unknown_ mins) 246 n-propyl isobutyrate Methoxy propyl-benzene 248 (E)-2-Hexenal ,3-Hexanedione (E)-2-Heptene Heptene Methyl heptene Methyl heptene 254 (E)- 4-methyl heptene 255 (E)-4-Octene

14 256 (Z)- 4-Octene (3-methyl butenyl)-benzene 258 Methyl propionate 259 Dioctyl ether B 260 Perilla aldehyde (Z)-3-Heptene Santolina triene (R)-(+)-p-Menth ene methyl-4-( methyl-2- propenyl)- Benzene 265 γ-muurolene unknown_ mins) 267 unknown_ Isomer mins) 268 unknown_ mins) 269 Isothiocyanatocyc lopropane 270 n-propyl butyrate Acetic acid ethylhexyl ester 272 Heptylbenzene Propen-1-ol γ-nonalactone B Penten-2-one

15 276 Megastigmatrieno ne 277 1,1' ethylidenebis- Cyclopentane methyl-4-( methylpropyl)- Benzene 279 2,5,5-trimethyl ,3,6-Heptatriene 280 Tetradecane C, B 281 unknown_ mins) 282 unknown_ mins) 283 unknown_ mins) 284 Acetic acid methylethyl ester 285 Furan, 2, dimethyl- 286 (Z)- 2-Butenal, α-methylcinnamaldehyde Phenyl propenal 289 γ-heptalactone B 290 γ-undecalactone ,3-Dihydro-2Hindol-2-one Pulegone Propane Methyl-heptane

16 295 3-( Methylpropyl)- cyclohexene 296 β-z-ocimene Methyl methylene-1-(1- methylethylidene) -cyclohexane 298 1,3-bis( methylethyl)-1,3- Cyclopentadiene 299 (E)-2-Dodecene (E,Z)-2, Dodecadiene ( Methylethenyl)-4- (1-methylethyl)- benzene 302 1,8-Nonadiene, ,7-dimethyl-5- (1- methylethenyl)- 303 Cadalene Methyl-2-nhexylbenzene Ar-curcumene unknown_ mins) 307 unknown_ mins) 308 unknown_ mins) 309 unknown_

17 31.47mins) 310 unknown_ mins) 311 unknown_ mins) 312 unknown_ mins) 313 Allyl mercaptan Thiazole Menthyl acetate Methylpyridine Methylpyridine A: Kumar et al 2009, B: Soini et al 2010, C: Alagendran et al 2010, D: Penn et al 2007, E: Lochner et al 1986, F: Kostelc et al 1981, G: Larsson