No | Name | Formula | Calc. MW | RT [min] | Area (Max.) | % RA | mzCloud Best Match |
---|---|---|---|---|---|---|---|
1 | Choline | C5 H13 N O | 103.0999 | 0.963 | 38,986,744.01 | 5.70 | 95.7 |
2 | D-( +)-Proline | C5 H9 N O2 | 115.0634 | 1.016 | 19,894,456.59 | 2.91 | 92.2 |
3 | Adenine | C5 H5 N5 | 135.0543 | 1.028 | 684,067,887* | 100.00 | 99.4 |
4 | NP-019811 | C6 H7 N O2 | 125.0477 | 1.037 | 237,023,365 | 34.65 | 95.4 |
6 | Pyrrole-2-carboxylic acid | C5 H5 N O2 | 111.0322 | 1.047 | 54,258,960.28 | 7.93 | 95 |
7 | Tropine | C8 H15 N O | 141.1153 | 1.056 | 60,269,180.57 | 8.81 | 99.5 |
8 | 3-Hydroxypyridine | C5 H5 N O | 95.03736 | 1.064 | 178,293,700.5 | 26.06 | 100 |
9 | Pyridoxine | C8 H11 N O3 | 169.0737 | 1.112 | 48,875,824.48 | 7.14 | 99.4 |
10 | NP-000358 | C15 H14 O7 | 306.0737 | 1.139 | 24,522,474.57 | 3.58 | 99.5 |
11 | L-Isoleucine | C6 H13 N O2 | 131.0946 | 1.562 | 9,498,791.612 | 1.39 | 90.4 |
12 | Nicotinamide | C6 H6 N2 O | 122.048 | 1.616 | 23,108,176.84 | 3.38 | 91 |
13 | Nicotinic acid | C6 H5 N O2 | 123.032 | 1.618 | 32,845,375.37 | 4.80 | 95 |
14 | N, N-Dimethylaniline | C8 H11 N | 121.0892 | 3.791 | 31,350,071.07 | 4.58 | 86.7 |
15 | (1ξ)-1,5-Anhydro-1-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-8-yl]-D-galactitol | C21 H20 O11 | 448.0997 | 4.601 | 316,295,296.2 | 46.24 | 96.7 |
16 | 5-Methoxysalicylic acid | C8 H8 O4 | 168.0422 | 4.732 | 12,290,077.79 | 1.80 | 77.2 |
17 | Scopoletin | C10 H8 O4 | 192.0422 | 5.049 | 20,362,873.88 | 2.98 | 92.5 |
18 | Esculetin | C9 H6 O4 | 178.0265 | 5.105 | 14,215,495.18 | 2.08 | 89.9 |
19 | Cynaroside | C21 H20 O11 | 448.0997 | 5.288 | 122,295,357.9 | 17.88 | 99 |
20 | (1S)-1,5-Anhydro-2-O-(6-deoxy-α-L-mannopyranosyl)-1-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-6-yl]-D-glucitol | C27 H30 O14 | 578.1632 | 5.448 | 22,312,282.07 | 3.26 | 93.5 |
21 | NP-021018 | C12 H18 O4 | 226.1203 | 5.455 | 40,180,312.67 | 5.87 | 73.9 |
22 | Toliprolol | C13 H21 N O2 | 223.157 | 5.471 | 44,615,504.37 | 6.52 | 71.5 |
23 | Rutin | C27 H30 O16 | 610.1529 | 5.481 | 12,773,553.55 | 1.87 | 98.8 |
24 | Jasmonic acid | C12 H18 O3 | 210.1254 | 5.587 | 5,903,842.209 | 0.86 | 73.1 |
25 | 1,5-Anhydro-1-[5,7-dihydroxy-3-(4-hydroxyphenyl)-4-oxo-4H-chromen-8-yl]hexitol | C21 H20 O10 | 432.1053 | 5.614 | 170,435,176.3 | 24.91 | 72.9 |
26 | Quercetin-3β-D-glucoside | C21 H20 O12 | 464.095 | 5.737 | 163,476,631.8 | 23.90 | 99.6 |
27 | Quercetin | C15 H10 O7 | 302.0422 | 5.751 | 165,098,283.2 | 24.13 | 98.5 |
28 | NP-018720 | C27 H28 O16 | 608.1373 | 5.986 | 6,274,504.294 | 0.92 | 97 |
29 | Avicularin | C20 H18 O11 | 434.0843 | 6.131 | 324,561,610.4 | 47.45 | 99.7 |
30 | Aflatoxin G1 | C17 H12 O7 | 328.0578 | 6.187 | 200,501,817.2 | 29.31 | 86 |
31 | Diosmetin | C16 H12 O6 | 300.063 | 6.206 | 71,678,113.21 | 10.48 | 87 |
32 | 4-Coumaric acid | C9 H8 O3 | 164.0473 | 6.213 | 23,341,562.64 | 3.41 | 91.5 |
33 | NP-015559 | C17 H14 O7 | 330.0734 | 6.384 | 61,595,289.75 | 9.00 | 90 |
34 | Vitexin | C21 H20 O10 | 432.1053 | 6.443 | 36,425,664.32 | 5.32 | 76.5 |
35 | Galangin | C15 H10 O5 | 270.0525 | 6.531 | 9,846,563.576 | 1.44 | 98.7 |
36 | 5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl β-L-xylofuranoside | C20 H18 O10 | 418.0895 | 6.602 | 28,743,146.4 | 4.20 | 94.5 |
37 | Isokaempferide | C16 H12 O6 | 300.063 | 6.784 | 4,774,062.327 | 0.70 | 87.4 |
38 | 5-O-Methylgenistein | C16 H12 O5 | 284.0682 | 6.838 | 11,697,238.21 | 1.71 | 98.7 |
39 | NP-003294 | C18 H16 O7 | 344.0893 | 6.859 | 6,715,576.313 | 0.98 | 83.1 |
40 | NP-000465 | C17 H14 O6 | 314.0787 | 6.941 | 30,654,410.59 | 4.48 | 90.7 |
41 | (-)-Caryophyllene oxide | C15 H24 O | 220.1826 | 7.153 | 25,344,135.34 | 3.70 | 83.2 |
42 | Chrysin | C15 H10 O4 | 254.0577 | 7.241 | 11,993,651.12 | 1.75 | 98.5 |
43 | Kaempferol | C15 H10 O6 | 286.0474 | 7.341 | 304,396,847.3 | 44.50 | 99.4 |
44 | NP-021018 | C12 H18 O4 | 226.1203 | 7.36 | 13,126,756.27 | 1.92 | 76.9 |
45 | Aflatoxin G2 | C17 H14 O7 | 330.0734 | 7.365 | 5,843,945.045 | 0.85 | 81.8 |
46 | N-(2,4-Dimethylphenyl) formamide | C9 H11 N O | 149.084 | 7.814 | 44,191,081.65 | 6.46 | 93.3 |
47 | 3-Methoxy-5,7,3',4'-tetrahydroxy-flavone | C16 H12 O7 | 316.0581 | 8.042 | 32,003,335.9 | 4.68 | 99 |
48 | 9S,13R-12-Oxophytodienoic acid | C18 H28 O3 | 292.2035 | 8.326 | 18,388,834.54 | 2.69 | 85.9 |
49 | Apigenin | C15 H10 O5 | 270.0525 | 8.45 | 53,092,646.63 | 7.76 | 99.8 |
50 | α-Pyrrolidinopropiophenone | C13 H17 N O | 203.1311 | 13.213 | 9,792,651.46 | 1.43 | 92.7 |
51 | Stearamide | C18 H37 N O | 283.2875 | 16.424 | 15,774,788.86 | 2.31 | 97.4 |
52 | Hexadecanamide | C16 H33 N O | 255.2561 | 14.821 | 8,241,911.601 | 1.20 | 86.5 |
53 | Oleamide | C18 H35 N O | 281.2717 | 15.321 | 8,537,558.88 | 1.25 | 96 |