No. Compound RtLit RtB RtC RtH CSP % CSC % CSH % Identificationa 1 n-Butyric acid 2-ethylhexyl ester 4.41 6.6 t t 0.55 t t 1, 2 2 Benzeneacetamide, α -ethyl- 5.18 t t 6.77 t t 2.93 1,2 3 O-α -D-glucopyranoside, 5.33 10.17 t t 5.01 t t 1 4 Cyclopentasiloxane, decamethyl- 6.02 — 6.21 — — 0.44 — 1, 2 5 d-Gala-l-ido-octonic amide 6.05 6.96 t t 1.44 t t 1, 2 6 2-Hydroxy-5-methylbenzaldehyde 7.20 t 8.84 t t 2.01 t 1, 2 7 D-Glucopyranuronic acid 7.48 6.8 t t 2.88 t t 1, 2 8 Melezitose 7.55 5.63 t t 1.66 t t 1, 2 9 2,6,10-Trimethyltetradecane 7.82 t 6.61 t t 1.49 t 1, 2 10 Tetradecane 8.67 t 5.48 t t 12.18 t 1 11 Nordazepam, TMS derivative 9.10 8.19 8.19 t 0.56 1.52 t 1, 2 12 Nordazepam, TMS derivative 9.10 — 7.91 — — 0.51 — 1, 2 13 1-(Decylsulfonyl)-1-deoxy-d-mannitol 9.27 12.51 t t 0.61 t t 1, 2 14 Cyclobarbital 9.6 — — 7.73 — — 0.25 1 15 Acetyl-5-chloromethyl-isoxazolidin-3-one 10.40 6.47 t t 0.61 t t 1 16 2-Myristynoyl pantetheine 10.57 t t 10.11 t t 3.50 1, 2 17 (2-Phenyl-1,3-dioxolan-4-yl)methyl 9-octadecenoate 11.14 t t 8.53 t t 2.62 1, 2 18 Tetradecamethylcycloheptasiloxane 11.90 t 10.02 t t 3.21 t 1, 2 19 Desulphosinigrin 12.17 t t 10.39 t t 5.25 1, 2 20 Hexadecanoic acid, methyl ester 12.25 t 13.50 t t 13.98 t 1, 2 21 Palmitic acid, methyl ester 12.25 13.5 t 13.50 22.28 t 22.07 1, 2 22 Octadecadiynoic acid, methyl ester 13.58 — — 12.67 — — 0.47 1,2 23 Octadecanoic acid, methyl ester 13.67 15.05 t t 5.24 t t 1 24 4-(5-Pentyl-3a,4,5,7a-tetrahydro-4-indanyl)butanoicacid 13.85 — — 9.72 — — 0.30 1, 2 25 Arachidonic acid methyl ester 14.34 16.35 t t 0.49 t t 1 26 Diphenyl-1,6-dioxopyridazino[4,5 : 2′,3′]pyrrolo[4′,5′-d]pyridazine 14.41 15.53 t t 0.22 t t 1, 2 27 Cyclopropanebutanoic acid 14.80 16.51 15.05 15.04 0.19 21.37 8.78 1,2 28 Hexadecanoic acid, 14-methyl-, methyl ester 14.93 14.3 t 14.09 0.22 t 1.06 1, 2 29 4-Methyl(trimethylene)silyloxyoctane 15.05 7.06 t t 2.51 t t 1,2 30 Phenyl-1,3-dioxolan-4-yl)methyl 9-octadecenoate, cis- 16.08 5.82 — — 0.45 — — 1, 2 31 2-Trimethylsiloxy-6-hexadecenoic acid, methyl ester 16.34 8.64 t t 1.78 t t 1, 2 32 Palmitic acid 16.54 13.74 13.75 13.75 4.24 13.53 8.84 1, 2 33 2-[4-methyl-6-(2,6,6-trimethylcyclohex-1-enyl)hexa-1,3,5-trienyl]cyclohex-1-en-1-carboxaldehyde 16.91 16.1 t t 0.45 t t 1, 2 34 Diphenyl-1,6-dioxopyridazino 17.07 17.6 — — 4.21 — — 1, 2 35 Dasycarpidan-1-methanol, acetate (ester) 17.53 15.29 t t 1.10 t t 1, 2 36 Dasycarpidan-1-methanol, acetate (ester) 17.53 16.44 — — 0.21 — — 1, 2 37 4-Hexenoic acid, 4-methyl-6-(fluorodimethylsilyl)-6-trimethylsily- 18.16 t t 9.59 t t 0.93 1 38 Linolelaidic acid, methyl ester 18.24 t t 14.79 t t 25.93 1, 2 39 Diisooctyl phthalate 18.87 t 17.85 t t 4.36 t 1, 2 40 Phthalic acid, bis(6-methylheptyl)ester 19.42 17.84 — — 2.02 — — 1, 2 41 Phthalic acid, heptyl oct-3-yl ester 19.79 t t 17.83 t t 1.06 1, 2 42 Docosatetraenoic acid, methyl ester 20.20 16.62 t t 0.21 t t 1, 2 43 1-Hexadecanol, 2-methyl- 20.49 t t 5.48 t t 9.89 1 44 Octadecyl vinyl, ether 20.92 5.47 — — 4.75 — — 1 45 1-hexyl-4-nitrobenzene 22.77 8.84 t 8.86 2.60 t 1.68 1 46 t-Butyl-[2-(2,2-dimethyl-6-methylene-cyclohexylmethyl)-cyclopropoxy]-dimethyl-silane 22.88 t t 8.21 t t 0.74 1 47 Tetradecanoic acid, 12-methyl-, methyl ester 24.62 — — 12.36 — — 0.40 1, 2 48 Tetradecanoic acid, 12-methyl-, methyl ester 24.62 t t 12.43 t t 0.95 1, 2 49 Octadecane, 3-ethyl-5-(2-ethylbutyl)- 28.01 t 8.80 6.62 t 0.46 0.98 1 50 2,6-Dihydroxybenzoic acid, 3TMS derivative 28.07 11.66 — — 0.40 — — 1 51 Dodecanoic acid, 2,3-bis(acetyloxy)propyl ester 29.17 12.66 t t 0.66 t t 1, 2 52 Oleic acid 29.70 t t 15.29 t t 1.26 1, 2 53 Linoleic acid, methyl ester 29.86 14.8 14.80 t 31.94 15.40 t 1 54 Octamethylcyclotetrasiloxane 30.72 t 6.81 t t 0.74 t 1 55 Dihydroxymandelic acid, 4TMS derivative 30.93 t 11.66 t t 1.62 t 1 56 Octadecanoic acid 37.02 t 15.29 t t 1.69 t 1, 2 57 Heptasiloxane 37.78 t 13.08 t t 1.20 t 1, 2 58 Heptasiloxane 38.65 t 16.62 t t 1.10 t 1, 2 59 Heptasiloxane, hexadecamethyl- 38.65 t 15.55 t t 1.59 t 1,2 60 Heptasiloxane, tetradecamethyl- 40.15 13.08 — — 0.36 — — 1, 2 61 Octasiloxane 40.15 t 14.36 t t 1.51 t 1 Total identified 100 100 100