SN | Retention time (min) | Compound name/hit name | Quality ion (relative intensity, %) | Percentage total of all compound (% total) |
---|---|---|---|---|
1 | 7.135 | Acetaldehyde | 83 | 46.0737 |
2 | 25.766 | Bicyclo[3.1.1]heptane, 2,6,6-trimethyl-, [1R-(1.alpha.,2.beta.,5.alpha.)]- | 50 | 3.2297 |
3 | 24.318 | 3-Buten-2-one, 4-(6,6-dimethyl-1-cyclohexen-1-yl)- | 27 | 2.9320 |
4 | 16.168 | Cyclopropyl carbinol | 53 | 2.8494 |
5 | 23.944 | 1,2-Hydrazinedicarboxaldehyde | 47 | 2.7183 |
6 | 24.217 | 1-Undecanol | 22 | 2.6824 |
7 | 24.686 | 4-Hydroxy-4-(4,6-dimethylcyclohex-3-enyl)butan-2-one | 16 | 1.6914 |
8 | 5.580 | Erythritol | 80 | 1.6601 |
9 | 44.331 | Testosterone cypionate | 55 | 1.6126 |
10 | 21.041 | p-Dioxane, methylene- | 27 | 1.2305 |
11 | 23.024 | 4-Camphenylbutan-2-one | 25 | 1.2291 |
12 | 25.131 | Bicyclo[3.3.0]octan-2-one, 7-ethylidene- | 50 | 1.2094 |
13 | 27.796 | Hexadecanoic acid, ethyl ester | 98 | 1.1615 |
14 | 18.970 | 3,4-Furandiol, tetrahydro-, trans- | 59 | 1.1195 |
15 | 26.104 | 1-Methyl-4-[nitromethyl]-4-piperidinol | 38 | 1.0566 |
16 | 17.973 | Methanimidamide, N′-(2-cyanophenyl)-N,N-dimethyl- | 53 | 0.8264 |
17 | 25.665 | Propylamine, 3-(furan-2-yl)-1-methyl- | 47 | 0.7989 |
18 | 23.350 | Phenylephrine | 47 | 0.7775 |
19 | 22.941 | 1,6-Octadiene, 3-ethoxy-3,7-dimethyl- | 35 | 0.7611 |
20 | 24.478 | Cyclohexanol, 2-methyl-3-(1-methylethenyl)-, acetate, (1.alpha.,2.alpha.,3.alpha.)- | 52 | 0.7111 |
21 | 42.978 | Acetamide, 2-(adamantan-1-yl)-N-(1-adamantan-1-ylethyl)- | 30 | 0.7016 |
22 | 22.822 | Benzyl alcohol, p-hydroxy-.alpha.-[(methylamino)methyl]- | 50 | 0.6889 |
23 | 29.808 | (E)-9-Octadecenoic acid ethyl ester | 91 | 0.6631 |
24 | 27.487 | n-Hexadecanoic acid | 97 | 0.6578 |
25 | 35.025 | 3-Methyl-3,5-(cyanoethyl)tetrahydro-4-thiopyranone | 40 | 0.6284 |
26 | 43.453 | 3,6-Bis-dimethylaminomethyl-2,7-dihydroxy-fluoren-9-one | 1 | 0.6237 |
27 | 20.282 | 1,2-Ethanediol, 1-(2-phenyl-1,3,2-dioxaborolan-4-yl)-, [S-(R*,R*)]- | 72 | 0.6152 |
28 | 13.990 | Glutaraldehyde | 45 | 0.6055 |
29 | 25.997 | Spiro[4.5]decan-6-one | 76 | 0.5935 |
30 | 41.886 | MDMA methylene homolog | 43 | 0.5678 |
31 | 25.368 | 3-Buten-2-ol, 2-methyl-4-(1,3,3-trimethyl-7-oxabicyclo[4.1.0]hept-2-yl)- | 43 | 0.5674 |
32 | 9.242 | Cycloserine | 39 | 0.5460 |
33 | 24.555 | 4-Piperidinamine, N,1-dimethyl- | 41 | 0.5387 |
34 | 24.893 | Silane, dimethyldi-2-propenyl- | 43 | 0.5337 |
35 | 51.816 | 2-Ethylacridine | 38 | 0.5263 |
36 | 18.133 | 3-Bromo-1,2-propanediol | 43 | 0.5166 |
37 | 24.959 | Guanidineacetic acid | 32 | 0.5133 |
38 | 23.659 | Adenosine, 4′-de(hydroxymethyl)-4′-[N-ethylaminoformyl]- | 43 | 0.4704 |
39 | 23.279 | Bicyclo[2.2.1]heptan-2-one, 4,7,7-trimethyl-, semicarbazone | 89 | 0.4526 |
40 | 21.682 | 2-Cyclopenten-1-one, 4-hydroxy-3-methyl-2-(2-propenyl)- | 40 | 0.4506 |
41 | 28.983 | Methanesulfonamide, N,N-dimethyl- | 43 | 0.4307 |
42 | 21.451 | Acetonitrile, 2-(2H-tetrazol-2-yl)- | 55 | 0.4223 |
43 | 22.395 | Folic Acid | 46 | 0.3989 |
44 | 22.282 | Glucopyranuronamide, 1-(4-amino-2-oxo-1(2H)-pyrimidinyl)-1,4-dideoxy-4-(d-2-(2-(methylamino)acetamido)hydracrylamido)-, .beta.-d- | 47 | 0.3885 |
45 | 25.861 | trans-5-Methyl-2-isopropyl-2-hexen-1-al | 35 | 0.3883 |
46 | 22.543 | Diglycolamine | 47 | 0.3645 |
47 | 14.121 | 2-Heptanamine, 5-methyl- | 42 | 0.3536 |
48 | 31.855 | 9-Octadecenamide, (Z)- | 98 | 0.3378 |
49 | 23.516 | Adrenalone | 50 | 0.3373 |
50 | 12.043 | 1-Pentanol, 4-amino- | 47 | 0.3343 |
51 | 5.479 | 2(3H)-Furanone, dihydro-3-hydroxy-4,4-dimethyl-, (.+/−.)- | 22 | 0.3273 |
52 | 30.110 | Octadecanoic acid, 17-methyl-, methyl ester | 98 | 0.3222 |
53 | 28.259 | 1H-Pyrazole, 4,5-dihydro-3-phenyl- | 64 | 0.3211 |
54 | 26.810 | Guanidine, N,N,N′,N′-tetramethyl- | 35 | 0.3158 |
55 | 33.695 | 1-[.alpha.-(1-Adamantyl)benzylidene]thiosemicarbazide | 43 | 0.3039 |
56 | 35.939 | 1-Methylene-2b-hydroxymethyl-3,3-dimethyl-4b-(3-methylbut-2-enyl)-cyclohexane | 47 | 0.2937 |
57 | 12.667 | 2-Formylhistamine | 39 | 0.2854 |
58 | 27.707 | Arginine | 38 | 0.2422 |
59 | 17.712 | .+/−.-Tetrahydro-3-furanmethanol | 28 | 0.2412 |
60 | 43.631 | Ethyl 2-((diethoxyphosphoryl)oxy)-3,3,3-trifluoropropanoate | 9 | 0.2323 |
61 | 9.426 | Pent-3-enylamine | 12 | 0.2318 |
62 | 26.520 | 3,3′-Bis(1,2,4-oxadiazolyl)-5,5′-diamine | 50 | 0.2266 |
63 | 27.161 | Imidazole, 2-amino-5-[(2-carboxy)vinyl]- | 38 | 0.2126 |
64 | 29.737 | Linoleic acid ethyl ester | 99 | 0.2114 |
65 | 11.569 | Methylpent-4-enylamine | 37 | 0.2079 |
66 | 43.744 | 1H-Indole-2-carboxylic acid, 6-(4-ethoxyphenyl)-3-methyl-4-oxo-4,5,6,7-tetrahydro-, isopropyl ester | 27 | 0.2068 |
67 | 17.824 | N-Methylallylamine | 47 | 0.2064 |
68 | 15.723 | Tetrahydro-4H-pyran-4-ol | 39 | 0.1836 |
69 | 5.960 | 1,2-Propanediol, 3-chloro- | 47 | 0.1744 |
70 | 13.563 | Ethyl oxamate | 33 | 0.1702 |
71 | 34.146 | 4-Fluorohistamine | 43 | 0.1625 |
72 | 13.177 | N-Methyl-N-[2-cyanoethyl]-2-mercapto propylamine | 47 | 0.1552 |
73 | 20.383 | 1,2,3,4-Butanetetrol, [S-(R*,R*)]- | 5 | 0.1533 |
74 | 22.608 | Carvone oxide, cis- | 27 | 0.1501 |
75 | 42.551 | Cefaclor | 4 | 0.1489 |
76 | 18.311 | N-Methoxy-1-ribofuranosyl-4-imidazolecarboxylic amide | 38 | 0.1469 |
77 | 6.043 | Ethyl hydrogen oxalate | 38 | 0.1467 |
78 | 5.888 | Xylitol | 42 | 0.1399 |
79 | 3.437 | 3-Butyn-1-ol | 9 | 0.1364 |
80 | 8.114 | Bicyclo[3.1.0]hexan-3-one | 47 | 0.1361 |
81 | 5.010 | Topotecan | 33 | 0.1228 |
82 | 10.934 | 1-Dodecanamine | 28 | 0.1198 |
83 | 4.470 | Acetamide, 2-amino-N-(1-methylethyl)- | 9 | 0.1101 |
84 | 42.112 | N-(3-Methylbutyl)acetamide | 9 | 0.1087 |
85 | 41.132 | Cyclobutanol | 9 | 0.1030 |
86 | 29.950 | Butanamide | 53 | 0.1015 |
87 | 10.530 | Ethylene oxide | 5 | 0.0856 |
88 | 4.880 | Silane, methyl- | 25 | 0.0818 |
89 | 4.595 | 2-Butynone, 1-acetyl-4-[1-piperidyl]- | 35 | 0.0796 |
90 | 29.517 | dl-Phenylephrine | 50 | 0.0731 |
91 | 7.420 | Glycyl-dl-alanine | 9 | 0.0719 |
92 | 8.589 | 1-Propanol, 2-amino-, (.+/−.)- | 28 | 0.0718 |
93 | 4.725 | Dimethyl-(6-methyl-2-thioxo-[1,3,2]oxathiaphosphinan-2-yl)-amine | 42 | 0.0704 |
94 | 33.310 | azetidine, 1-methyl-3,3-dipentyl- | 33 | 0.0670 |
95 | 5.758 | l-Arabinitol | 59 | 0.0663 |
96 | 31.612 | 2,4-Dimethylamphetamine | 59 | 0.0631 |
97 | 27.321 | 2-Amino-1-(o-methoxyphenyl)propane | 37 | 0.0606 |
98 | 31.001 | 2-Oxo-3-methyl-cis-perhydro-1,3-benzoxazine | 37 | 0.0562 |
99 | 32.342 | 5-Aminoisoxazole | 9 | 0.0550 |
100 | 5.164 | 3-Ethoxy-1,2-propanediol | 40 | 0.0525 |
101 | 29.446 | Propanamide, 3-(3,4-dimethylphenylsulfonyl)- | 32 | 0.0515 |
102 | 41.435 | 1-Octadecanamine, N-methyl- | 9 | 0.0482 |
103 | 37.868 | 1-(5-Bicyclo[2.2.1]heptyl)ethylamine | 17 | 0.0374 |
104 | 9.729 | dl-Alanine | 9 | 0.0334 |
105 | 3.229 | 2-(Oxan-3-yl)ethanamine | 38 | 0.0329 |
106 | 41.031 | 4,6-dimethyl-2-(propan-2-yl)-1,3,5-dithiazinane | 5 | 0.0329 |
107 | 35.387 | Benzaldehyde, 2-nitro-, diaminomethylidenhydrazone | 25 | 0.0319 |
108 | 4.126 | 2-Hexynoic acid | 12 | 0.0309 |
109 | 30.787 | Phenethylamine, p,.alpha.-dimethyl- | 32 | 0.0297 |
110 | 4.173 | Sulfurous acid, diethyl ester | 9 | 0.0293 |
111 | 39.073 | 4,6-dimethyl-2-propyl-1,3,5-dithiazinane | 9 | 0.0290 |
112 | 41.530 | Propan-1-one, 2-amino-1-piperidin-1-yl- | 9 | 0.0251 |
113 | 38.639 | S-[Tri-t-butoxysilyl]-2-mercaptoethylamine | 9 | 0.0250 |