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A peer-reviewed article of this preprint also exists.
This version is not peer-reviewed
Submitted:
12 March 2024
Posted:
14 March 2024
You are already at the latest version
No. | RT (min) |
Compound | Chemical Class |
Molecular Ion | Observed Mass (m/z) | Error (ppm) | MS/MS Fragments | SC-CO2 Extracts | ||||
---|---|---|---|---|---|---|---|---|---|---|---|---|
CTL1 | CTL2 | CTL3 | CTL4 | CTL5 | ||||||||
1 | 1.62 | Protocatechuic acid | PC | [M-H]- | 153.0204 | -0.7 | 109.0297 | + | − | − | − | − |
2 | 1.67 | 3-(4-Hydroxyphenyl)lactic acid | PC | [M-H]- | 181.0502 | 2.4 | 119.0502 | + | + | + | + | + |
3 | 1.86 | Oxodecanedioic acid | DFA | [M-H]- | 215.0928 | -1.4 | 197.0786, 171.1076, 155.0751, 153.0952 |
− | + | + | − | + |
4 | 1.88 | Heptanedioic acid (Pimelic acid I) |
DFA | [M-H]- | 159.0667 | -2.5 | 141.0542, 115.0772, 97.0673 |
+ | + | + | + | − |
5 | 1.90 | Salicylic acid | OC | [M-H]- | 137.0244 | 0.0 | 93.0348 | + | + | + | + | + |
6 | 2.16 | Heptanedioic acid (Pimelic acid II) |
DFA | [M-H]- | 159.0665 | -1.3 | 141.0542, 115.0772, 97.0673 |
+ | + | + | + | − |
7 | 2.18 | Octanedioic acid (Suberic acid) |
DFA | [M-H]- | 173.082 | -0.8 | 155.0687, 129.0986, 111.0816 |
+ | + | + | + | + |
8 | 2.21 | 2-Hydroxyhydrocinnamic acid | PC | [M-H]- | 165.0559 | -1.3 | 147.0906, 119.0502 | + | + | + | + | + |
9 | 2.22 | Hydroxysebacic acid | DFA | [M-H]- | 217.1095 | -6.5 | 199.0984, 173.1111, 171.1049, 155.1108 |
+ | + | + | + | + |
10 | 2.32 | 3-Hydroxy-4-methoxy-cinnamic acid | PC | [M-H]- | 193.0517 | -5.7 | 193.0517 | + | + | − | + | + |
11 | 2.33 | Hydroxyundecanedioic acid | DFA | [M-H]- | 231.1241 | -1.3 | 213.1229, 195.0973, 187.1238, 169.1233 |
+ | + | + | + | + |
12 | 2.40 | Syringaldehyde | PC | [M+H]+ | 183.0653 | -0.1 | 155.073, 140.050, 123.047, 105.0452, 95.053, 77.041 | + | + | + | + | + |
13 | 2.41 | Oxododecanedioic acid I | DFA | [M-H]- | 243.1215 | 5.4 | 225.1170, 207.1074, 199.1328, 181.1243 |
+ | + | + | + | + |
14 | 2.45 | Decenedioic acid I | DFA | [M-H]- | 199.0983 | -3.5 | 181.0865, 155.1055, 137.0939 |
+ | + | + | + | + |
15 | 2.47 | Nonanedioic acid (Azelaic acid) |
DFA | [M-H] | 187.0982 | -3.2 | 169.0861, 143.1065, 125.0966 |
+ | + | + | + | + |
16 | 2.50 | Oxododecanedioic acid II | DFA | [M-H]- | 243.1215 | 5.4 | 225.1170, 207.1074, 199.1328, 181.1243 |
+ | + | + | + | + |
17 | 2.60 | Oxododecanedioic acid III | DFA | [M-H]- | 243.1214 | 5.8 | 225.1170, 207.1074, 199.1328, 181.1243 |
+ | + | + | + | + |
18 | 2.65 | Dodecenedioic acid I | DFA | [M-H]- | 227.1301 | -5.3 | 209.1197, 183.1368, 165.1287 |
+ | + | + | + | + |
19 | 2.65 | Decenedioic acid II | DFA | [M-H]- | 199.0983 | -3.5 | 181.0865, 155.1055, 137.0939 |
+ | + | + | + | + |
20 | 2.65 | Hydroxydodecanedioic acid | DFA | [M-H]- | 245.1406 | -4.9 | 227.1334, 209.1108, 201.1317 |
+ | + | + | + | + |
21 | 2.75 | Sebacic acid | DFA | [M-H]- | 201.113 | 1.2 | 183.1021, 157.1214, 139.1119 |
+ | + | + | + | + |
22 | 2.77 | 4-Hydroxycinnamic acid | PC | [M-H]- | 163.0409 | -5.0 | 119.0495 | − | − | + | − | − |
23 | 2.78 | 4-Methoxycinnamic acid | OC | [M-H]- | 177.0556 | 0.6 | 133.0653, 117.0340, 103.0577, 92.0285 |
+ | + | + | + | + |
24 | 2.79 | Nonendioic acid | DFA | [M-H]- | 185.0815 | 2.2 | 167.0762, 141.0953, 123.0865 |
− | − | − | + | − |
25 | 2.79 | Salicylic acid | OC | [M-H]- | 137.0243 | 0.7 | 119.0515, 93.0348 | + | + | + | + | + |
26 | 2.82 | Abscisic acid | OC | [M-H]- | 263.1296 | -2.7 | 219.1398, 204.1162, 203.1083, 153.0899 |
+ | + | + | + | + |
27 | 2.82 | p-Hydroxybenzoic acid | PC | [M-H]- | 137.0249 | -3.1 | 93.0348 | + | + | + | + | + |
28 | 2.86 | 4-Hydroxycinnamaldehyde | PC | [M-H]- | 147.0457 | -3.9 | 119.0481, 117.0331 | + | + | + | + | + |
29 | 2.92 | Undecanedioic acid | DFA | [M-H]- | 213.1128 | 1.9 | 195.1116, 169.1233, 151.1254 |
+ | + | + | + | + |
30 | 2.93 | Decenoic acid | MFA | [M-H]- | 169.1233 | 0.6 | 169.1234, 151.1153, 125.1298 |
+ | + | + | + | + |
31 | 2.94 | Coumarin | OC | [M+H]+ | 147.0446 | 0.9 | 118.0454, 103.0603, 91.0597, 77.04313 |
+ | + | + | + | + |
32 | 2.95 | Oxodecenoic acid | MFA | [M-H]- | 183.1028 | -1.5 | 183.1027, 147.0874, 139.1129 |
+ | + | + | + | + |
33 | 3.04 | Decenedioic acid | DFA | [M-H]- | 215.1292 | -1.4 | 197.1188, 171.1410, 153.1279 |
+ | + | + | + | + |
34 | 3.06 | Cinnamic acid | OC | [M-H]- | 147.0457 | 0.5 | 103.0542, 77.0392 | + | + | + | + | + |
35 | 3.07 | Dodecanedioic acid II | DFA | [M-H]- | 227.1301 | -5.3 | 209.1197, 183.1368, 165.1287 |
+ | + | + | + | + |
36 | 3.15 | 9,10,13-Trihydroxy-11-octadenoic acid | MFA | [M-H]- | 329.2325 | 2.4 | 311.2251, 293.2155, 229.1466, 211.1319, 209.1196, 193.1255, 171.1019, 139.1128 |
+ | + | + | + | + |
37 | 3.20 | 2-Methoxycinnamic acid | OC | [M-H]- | 177.056 | -1.5 | 133.0653, 117.0340, 103.0577, 92.0285 |
+ | + | + | + | + |
38 | 3.21 | Cinnamyl alcohol | OC | [M+H-H2O]+ | 117.0695 | 0.5 | 115.0555, 91.0559, 77.0384 |
− | − | + | + | − |
39 | 3.33 | Dihydroxyhexadecanoic acid | MFA | [M-H]- | 287.2232 | -1.4 | 287.2232, 269.2183, 241.2277 |
+ | + | + | + | + |
40 | 3.39 | Dodecanedioic acid | DFA | [M-H]- | 229.1439 | 2.9 | 211.1342, 167.1434 | + | + | + | + | + |
41 | 3.48 | Cinnamaldehyde I | OC | [M+H]+ | 133.0648 | 0.9 | 115.0601, 105.0752, 103.0603, 91.0597, 89.0436, 79.0593 |
+ | + | + | + | + |
42 | 3.60 | 9,10,11-Trihydroxy-12-octadenoic acid | MFA | [M-H]- | 329.2325 | 2.4 | 311.2269, 293.2155, 201.1200, 171.1046 |
+ | + | + | + | + |
43 | 3.72 | Octadecanedioic acid I | DFA | [M-H]- | 313.2375 | 3.2 | 295.2280, 269.2425, 251.2289 |
+ | + | + | + | + |
44 | 3.87 | Tridecanedioic acid | DFA | [M-H]- | 243.1601 | 0.4 | 225.1506, 199.1763, 181.1609 |
+ | + | + | + | + |
45 | 4.00 | Nonanamide | FAA | [M+H]+ | 158.1559 | 1.3 | 116.1119, 102.0963, 77.0431, 69.0753 |
+ | + | + | + | + |
46 | 4.00 | Methylcinnamic acid | OC | [M+H]+ | 163.0757 | -1.1 | 105.0356, 103.0569, 91.0519, 77.0379 |
+ | + | + | + | + |
47 | 4.23 | Cinnamyl acetate | OC | [M+H]+ | 177.0913 | -1.2 | 105.0356, 103.0569, 91.0519, 77.0379 |
+ | + | + | + | + |
48 | 4.41 | Decanamide | FAA | [M+H]+ | 172.1706 | -5.8 | 128.0678, 116.1181, 115.0579, 105.0731, 91.0597, 69.0751 |
+ | + | + | + | + |
49 | 4.49 | Tetradecanedioic acid I | DFA | [M-H]- | 257.1758 | 0.1 | 239.1580, 213.1841, 195.1700 |
+ | + | + | + | + |
50 | 4.75 | Cinnamyl alcohol II | OC | [M+H-H2O]+ | 117.0695 | 0.6 | 115.0555, 91.0559, 77.0384 |
+ | + | + | + | + |
51 | 4.84 | Hexadecanedioic acid | DFA | [M-H]- | 283.1912 | 1.1 | 265.1766, 221.1924 | + | + | + | + | + |
52 | 4.94 | Octadecanedioic acid II | DFA | [M-H]- | 313.2375 | 3.2 | 295.2280, 269.2425, 251.2289 |
+ | + | + | + | + |
53 | 5.08 | Cinnamaldehyde II | OC | [M+H]+ | 133.0649 | 0.7 | 115.0579, 105.0752, 103.0582, 77.0431 |
+ | + | + | + | + |
54 | 5.26 | Pentadecanedioic acid | DFA | [M-H]- | 271.1915 | 0.0 | 253.1779, 227.2038, 209.1932 |
+ | + | + | + | + |
55 | 5.40 | Octadecanedioic acid I | DFA | [M-H]- | 311.2224 | 1.3 | 293.2123, 267.2316, 249.2220 |
+ | + | + | + | + |
56 | 5.46 | Octadecanedioic acid III | DFA | [M-H]- | 313.2375 | 3.2 | 295.2280, 269.2425, 251.2289 |
+ | + | + | + | + |
57 | 5.50 | Octadecanedioic acid II | DFA | [M-H]- | 311.2224 | 1.3 | 293.2123, 267.2316, 249.2220 |
+ | + | + | + | + |
58 | 5.53 | Heptadecanedioic acid | DFA | [M-H]- | 297.2067 | 1.4 | 279.1973, 253.2210, 235.2145 |
+ | + | + | + | + |
59 | 5.70 | Octadecanedioic acid III | DFA | [M-H]- | 311.2224 | 1.3 | 293.2123, 267.2316, 249.2220 |
+ | + | + | + | + |
60 | 5.98 | Dihydroxystearic acid | MFA | [M-H]- | 315.2544 | -1.0 | 315.2544, 297.2490 | + | + | + | + | + |
61 | 6.03 | Hydroxystearidonic acid I | MFA | [M-H]- | 291.1964 | 0.7 | 273.1883, 255.2316, 245.1916 |
+ | + | + | + | + |
62 | 6.18 | Hexadecanedioic acid | DFA | [M-H]- | 285.2072 | -0.35 | 267.1978, 241.2069, 223.2130 |
+ | + | + | + | + |
63 | 6.32 | Decanoic acid (Capric acid) | MFA | [M-H]- | 171.1392 | -1.1 | 171.1396 | + | + | + | + | + |
64 | 6.40 | Stearidonic acid I | MFA | [M-H]- | 275.2027 | -3.6 | 275.2027, 257.1952, 231.2127, 229.1872 |
+ | + | + | + | + |
65 | 6.40 | Lauramide | FAA | [M+H]+ | 200.2015 | -3.0 | 116.1121, 115.0578, 105.0731, 102.0851, 91.0577, 77.0431 |
+ | + | + | + | + |
66 | 6.42 | 9-Hydroxy-12,14,16-octadecatrienoic acid | MFA | [M-H]- | 293.2125 | -1.0 | 275.2022, 235.1708, 183.1399, 171.1017 |
+ | + | + | + | + |
67 | 6.57 | Hydroxyoctadecatrienoic acid I | MFA | [M-H]- | 293.2125 | -1.0 | 275.2076, 257.1911, 185.1206, 171.1047 |
+ | + | + | + | + |
68 | 6.57 | Stearidonic acid II | MFA | [M-H]- | 275.2027 | -3.6 | 275.2027, 257.1952, 231.2127, 229.1872 |
+ | + | + | + | + |
69 | 6.80 | Hydroxystearidonic acid II | MFA | [M-H]- | 291.1964 | 0.7 | 273.1883, 255.2316, 245.1916 |
+ | + | + | + | + |
70 | 6.98 | Hydroxystearidonic acid III | MFA | [M-H]- | 291.1964 | 0.7 | 273.1883, 255.2316, 245.1916 |
+ | + | + | + | + |
71 | 7.16 | Hydroxystearidonic acid IV | MFA | [M-H]- | 291.1964 | 0.7 | 273.1883, 255.2316, 245.1916 |
+ | + | + | + | + |
72 | 7.17 | Tridecanamide | FAA | [M+H]+ | 214.2194 | 0.5 | 128.0678, 116.1123, 115.05788, 105.0761, 91.0597, 81.0739, 77.0431, 69.0781 |
|||||
73 | 7.22 | Heptadecanedioic acid I | DFA | [M-H]- | 299.2242 | -4.7 | 281.2143, 255.2352, 237.2166 |
+ | + | + | + | - |
74 | 7.49 | 13-Hydroxy-9,11-octadecadienoic acid | MFA | [M-H]- | 295.2278 | 0.3 | 295.2278, 277.2161, 249.2215, 195.1418, 171.1046, 113.0973 |
+ | + | + | + | + |
75 | 7.85 | Ricinoleic acid I | MFA | [M-H]- | 297.2438 | -1.0 | 297.2438, 279.2322, 253.2534, 183.1396, 111.0840, 93.0349 |
+ | + | + | + | + |
76 | 8.30 | Hydroxyoctadecatrienoic acid II | MFA | [M-H]- | 293.2125 | -1.0 | 275.2076, 257.1911, 185.1206, 171.1047 |
+ | + | + | + | + |
77 | 8.33 | Octadecanedioic acid IV | DFA | [M-H]- | 313.2375 | 3.2 | 295.2280, 269.2425, 251.2289 |
+ | + | + | + | + |
78 | 8.50 | Hydroxyoctadecatrienoic acid III | MFA | [M-H]- | 293.2125 | -1.0 | 275.2076, 257.1911, 185.1206, 171.1047 |
+ | + | + | + | + |
79 | 8.52 | Ricinoleic acid II | MFA | [M-H]- | 297.2438 | -1.0 | 297.2438, 279.2322, 253.2534, 183.1396, 111.0840, 93.0349 |
+ | + | + | + | + |
80 | 8.62 | Ricinoleic acid III | MFA | [M-H]- | 297.2438 | -1.0 | 297.2438, 279.2322, 253.2534, 183.1396, 111.0840, 93.0349 |
+ | + | + | + | + |
81 | 8.84 | Dodecanoic acid (Lauric acid) | MFA | [M-H]- | 199.1704 | -0.3 | 199.1704, 181.1572 | + | + | + | + | + |
82 | 9.01 | Hydroxyhexadecenoic acid I | MFA | [M-H]- | 269.213 | -3.0 | 269.2130, 251.2080, 225.2243, 223.2160 |
+ | + | + | + | + |
83 | 9.11 | Palmitoleamide I | FAA | [M+H]+ | 254.2483 | -1.8 | 237.2203, 219.2092, 165.0745, 146.6038, 135.1205, 121.1049, 116.0634, 111.0859, 109.1058, 107.0884, 105.0752, 95.0898, 93.0747, 91.0577, 83.0915, 81.0758, 79.0593, 77.0431, 69.0753, 67.0591 |
+ | + | + | + | + |
84 | 9.14 | Linolenamide | FAA | [M+H]+ | 278.2471 | 2.7 | 219.2102, 189.1640, 175.1480, 147.1168, 135.1170, 133.1010, 131.0860, 123.1170, 121.1010, 119.0860, 91.0578, 77.0449 |
+ | + | + | + | + |
85 | 9.17 | Tetradecanedioic acid II | DFA | [M-H]- | 257.1758 | 0.1 | 239.1580, 213.1841, 195.1700 |
- | - | + | - | + |
86 | 9.26 | 9-Hydroxy-10,12-octadecadienoic acid | MFA | [M-H]- | 295.2278 | 0.3 | 295.2280, 277.2229, 249.2215, 233.2223, 171.1064, 113.0973 |
+ | + | + | + | + |
87 | 9.29 | Myristamide | FAA | [M+H]+ | 228.2345 | -1.3 | 116.1097, 115.0578, 105.0731, 102.0963, 91.0597, 88.0805, 77.0431, 69.0753 |
+ | + | + | + | + |
88 | 9.36 | 9-Hydroxy-10,12-octadecadienoic acid | MFA | [M-H]- | 295.2278 | 0.3 | 295.2280, 277.2229, 249.2215, 233.2223, 171.1064, 113.0973 |
+ | + | + | + | + |
89 | 9.51 | Nonadecanedioic acid | DFA | [M-H]- | 327.2549 | -2.4 | 309.2492, 283.2639, 265.2502 |
+ | + | + | + | + |
90 | 9.81 | Hydroxyhexadecenoic acid II | MFA | [M-H]- | 269.213 | -3.0 | 269.2130, 251.2080, 225.2243, 223.2160 |
+ | + | + | + | + |
91 | 9.96 | Heptadecanedioic acid II | DFA | [M-H]- | 299.2242 | -4.7 | 281.2143, 255.2352, 237.2166 |
+ | + | + | + | + |
92 | 10.14 | Dihydroxyoctadecenoic acid | MFA | [M-H]- | 313.2378 | 1.9 | 295.2249, 277.2240, 269.2500, 171.1046, 155.1080, 125.0960 |
+ | + | + | + | + |
93 | 10.16 | Octadecanedioic acid V | DFA | [M-H]- | 313.2375 | 3.2 | 295.2280, 269.2425, 251.2289 |
+ | + | + | + | + |
94 | 10.22 | Tridecanoic acid | MFA | [M-H]- | 213.1856 | 1.9 | 213.1856, 195.1645 | + | + | + | + | + |
95 | 10.27 | Hydroxyhexadecenoic acid III | MFA | [M-H]- | 269.213 | -3.0 | 269.2130, 251.2080, 225.2243, 223.2160 |
+ | + | + | + | + |
96 | 10.29 | Hydroxyhexadecanoic acid I | MFA | [M-H]- | 271.2293 | -5.2 | 271.2293, 225.2244 | + | + | + | + | + |
97 | 10.35 | Pentadecanamide | FAA | [M+H]+ | 242.2466 | 116.0578, 115.0578, 102. 0954, 91.059 |
+ | + | + | + | + | |
98 | 10.50 | Dihydroxyoctadecadienoic acid I | MFA | [M-H]- | 311.2222 | 1.9 | 293.2160, 275.1958, 265.2173, 257.2183 |
+ | + | + | + | + |
99 | 10.60 | Palmitadienoic acid | MFA | [M-H]- | 251.2016 | 0.4 | 251.2016 | + | + | + | + | + |
100 | 10.66 | Linoleamide I | FAA | [M+H]+ | 280.2631 | 1.4 | 263.2333, 245.2219, 161.1178, 133.0839, 119.0683, 109.0826, 95.0667, 91.0353, 81.0513, 79.0352 |
+ | + | + | + | + |
101 | 10.70 | Dihydroxyoctadecadienoic acid II | MFA | [M-H]- | 311.2222 | 1.9 | 293.2160, 275.1958, 265.2173, 257.2183 |
+ | + | + | + | + |
102 | 10.74 | Eicosanedioic acid | DFA | [M-H]- | 341.2695 | 0.6 | 323.2603, 297.2877, 279.2632 |
+ | + | + | + | + |
103 | 10.77 | Nonadecanedioic acid | DFA | [M-H]- | 325.2368 | 4.9 | 307.2291, 281.2480, 263.2364, 237.2231 |
+ | + | + | - | + |
104 | 11.01 | Dihydroxyoctadecadienoic acid III | MFA | [M-H]- | 311.2222 | 1.9 | 293.2160, 275.1958, 265.2173, 257.2183 |
+ | + | + | + | + |
105 | 11.10 | Ceriporic acid I | DFA | [M-H]- | 351.2534 | 1.9 | 333.2467, 307.2613, 289.2500 |
+ | + | + | + | + |
106 | 11.14 | Oleic acid I | MFA | [M-H]- | 281.248 | 2.1 | 281.248, 263.2364, 237.2231 |
- | + | + | + | + |
107 | 11.17 | Pentacosanedioic acid I | DFA | [M-H]- | 411.3474 | 1.5 | 393.3307, 367.3678, 349.3567 |
+ | + | + | + | + |
108 | 11.24 | Stearic acid I | MFA | [M-H]- | 283.2642 | 0.2 | 283.2642, 265.2568 | + | + | + | + | + |
109 | 11.35 | Eicosenedioic acid | DFA | [M-H]- | 339.2542 | -0.3 | 321.2497, 295.2707, 277.2547 |
+ | + | + | + | + |
110 | 11.37 | Hydroxyhexadecanoic acid II | MFA | [M-H]- | 271.2293 | 1.5 | 271.2293, 225.2244 | + | + | + | + | + |
111 | 11.38 | Pentadecenoic acid | MFA | [M-H]- | 239.2015 | 0.8 | 239.2115, 221.1918 | + | + | + | + | + |
112 | 11.48 | Linolenic acid | MFA | [M-H]- | 277.2173 | 0.0 | 259.2143, 233.2348, 211.1382 |
+ | + | + | + | + |
113 | 11.61 | Myristic acid | MFA | [M-H]- | 227.2015 | 0.7 | 227.2015, 209.1939 | + | + | + | + | + |
114 | 11.80 | Oxotetracosanedioic acid | DFA | [M-H]- | 411.3118 | -0.5 | 393.3081, 375.2944, 367.3244, 349.3106 |
+ | + | + | + | + |
115 | 11.80 | Palmitamide | FAA | [M+H]+ | 256.2636 | -0.4 | 116.1119, 105.0730, 102.0963, 88.0805, 77.0431, 69.0752 |
+ | + | + | + | + |
116 | 11.83 | Heptadecadienoic acid | MFA | [M-H]- | 265.2167 | 2.3 | 265.2167, 247.2089 | + | + | + | + | + |
117 | 11.88 | Ceriporic acid II | DFA | [M-H]- | 351.2534 | 1.9 | 333.2467, 307.2613, 289.2500 |
- | + | + | + | - |
118 | 11.88 | Eicosadienoic acid I | MFA | [M-H]- | 307.2649 | -2.0 | 289.2500, 263.2529, 261.2602 |
- | - | - | + | - |
119 | 11.97 | Heneicosanedioic acid | DFA | [M-H]- | 355.285 | 1.1 | 337.2845, 311.2908, 293.2897 |
+ | + | + | + | + |
120 | 12.10 | Ceriporic acid III | DFA | [M-H]- | 351.2534 | 1.9 | 333.2467, 307.2613, 289.2500 |
- | - | - | + | - |
121 | 12.25 | Palmitoleic acid I | MFA | [M-H]- | 253.2177 | -1.6 | 253.2177, 235.2183 | + | + | + | + | + |
122 | 12.49 | Ricinoleic acid IV | MFA | [M-H]- | 297.2438 | -1.0 | 297.2438, 279.2322, 253.2534, 183.1396, 111.0840, 93.0349 |
+ | + | + | + | + |
123 | 12.51 | Oleamide I | FAA | [M+H]+ | 282.2787 | 1.4 | 265.2504, 247.2419, 177.1642, 165.0929, 149.1350, 135.1205, 121.1049, 111.0859, 107.0905, 97.1062, 91.0597, 83.0896, 81.0758, 79.0593, 69.0753, 55.059 |
+ | + | + | + | + |
124 | 12.52 | Arachidamide | FAA | [M+H]+ | 312.3257 | 1.3 | 207.0339, 165.0693, 159.1176, 145.1033, 116.0678, 115.0579, 105.0731, 102.0963, 91.0597, 77.0431, 69.0753, 67.05909 |
+ | + | + | + | + |
125 | 12.70 | Pentadecanoic acid | MFA | [M-H]- | 241.2173 | 0.0 | 241.2173, 223.2073 | + | + | + | + | + |
126 | 12.70 | Palmitic acid I | MFA | [M-H]- | 255.2328 | 0.6 | 255.2351, 237.2227 | + | + | + | + | + |
127 | 12.70 | Eicosenoic acid | MFA | [M-H]- | 309.2783 | 5.2 | 309.2799, 291.2735 | + | - | + | + | + |
128 | 12.85 | Heptadecanamide I | FAA | [M+H]+ | 270.2778 | 4.8 | 107.0884, 115.0579, 105.0752, 91.0597, 77.04313, 69.0753 |
+ | + | + | + | + |
129 | 13.04 | Linoleic acid | MFA | [M-H]- | 279.2329 | 0.4 | 279.2329, 261.2203, 243.2081 |
+ | + | + | + | + |
130 | 13.19 | Docosanedioic acid | DFA | [M-H]- | 369.301 | 0.0 | 335.3020, 325.3030, 307.2972 |
+ | + | + | + | + |
131 | 13.22 | Heptadecanamide II | FAA | [M+H]+ | 270.2778 | 4.8 | 107.0884, 115.0579, 105.0752, 91.0597, 77.04313, 69.0753 |
+ | + | + | + | + |
132 | 13.33 | Palmitoleic acid II | MFA | [M-H]- | 253.2177 | -1.6 | 253.2177, 235.2183 | + | + | + | + | + |
133 | 13.40 | Arachidinic acid I | MFA | [M-H]- | 311.295 | 1.9 | 311.2950, 293.2899, 267.2970 |
+ | + | + | + | - |
134 | 13.41 | Heptadecenamide | FAA | [M+H]+ | 268.2641 | -2.3 | 175.1539, 165.0745, 133.1033, 115.0573, 111.0876, 105.0731, 97.1032, 91.0578, 79.0598, 77.0431, 69.0763, 67.0591 |
+ | + | + | + | + |
135 | 13.41 | Behenamide I | FAA | [M+H]+ | 340.3575 | -0.3 | 144.0966, 130.0794, 116.1097, 117.0733, 102.0963, 88.0805 |
+ | + | + | + | + |
136 | 13.48 | Palmitoleamide II | FAA | [M+H]+ | 254.2481 | -1.0 | 237.2203, 219.2092, 165.0745, 146.6038, 135.1205, 121.1049, 116.0634, 111.0859, 109.1058, 107.0884, 105.0752, 95.0898, 93.0747, 91.0577, 83.0915, 81.0758, 79.0593, 77.0431, 69.0753, 67.0591 |
+ | + | + | + | + |
137 | 13.51 | Erucamide I | FAA | [M+H]+ | 338.3438 | -6.1 | 321.2128, 303.3040, 177.1675, 163.1533, 149.1386, 135.1241, 121.1086, 111.1242, 97.1100, 83.0933, 81.0795, 69.0789, 55.0626 |
+ | + | + | + | + |
138 | 13.57 | Heptadecenoic acid I | MFA | [M-H]- | 267.2331 | -0.4 | 267.2331, 249.2276 | + | + | + | + | + |
139 | 13.66 | Palmitoleic acid III | MFA | [M-H]- | 253.2177 | -1.6 | 253.2177, 235.2183 | + | + | + | + | + |
140 | 13.70 | Palmitic acid II | MFA | [M-H]- | 255.2328 | 0.6 | 255.2351, 237.2227 | + | + | + | + | + |
141 | 13.77 | Heneicosanoic acid | MFA | [M-H]- | 325.3113 | -0.3 | 325.3113, 307.3052, 281.3201 |
+ | + | + | + | + |
142 | 13.77 | Heptadecanamide III | FAA | [M+H]+ | 270.2778 | 4.8 | 107.0884, 115.0579, 105.0752, 91.0597, 88.0805, 77.0431, 69.0753 |
+ | + | + | + | + |
143 | 13.79 | Oleamide II | FAA | [M+H]+ | 282.2789 | 0.7 | 265.2504, 247.2419, 177.1642, 165.0929, 149.1350, 135.1205, 121.1049, 111.0859, 107.0905, 97.1062, 91.0597, 83.0896, 81.0758, 79.0593, 69.0753, 55.059 |
+ | + | + | + | + |
144 | 13.82 | Heptadecenoic acid II | MFA | [M-H]- | 267.2331 | -0.4 | 267.2331, 249.2276 | + | - | + | + | + |
145 | 14.12 | Arachidinic acid II | MFA | [M-H]- | 311.295 | 1.9 | 311.2950, 293.2899, 267.2970 |
+ | + | + | + | + |
146 | 14.30 | Palmitic acid III | MFA | [M-H]- | 255.2328 | 0.6 | 255.2351, 237.2227 | + | + | + | + | + |
147 | 14.37 | Heptadecanoic acid I | MFA | [M-H]- | 269.2482 | 1.5 | 269.2482, 251.2439, 225.2305 |
+ | + | + | + | + |
148 | 14.39 | Tricosanedioic acid | DFA | [M-H]- | 383.3176 | -2.4 | 365.3100, 339.3257, 321.3157 |
+ | + | + | + | + |
149 | 14.41 | Octadecanedioic acid VI | DFA | [M-H]- | 313.2375 | 3.19 | 295.2280, 269.2425, 251.2289 |
+ | + | + | + | + |
150 | 14.65 | Stearamide | FAA | [M+H]+ | 284.2957 | -3.2 | 207.0338, 116.1119, 102.0851, 88.0805, 81.0739, 74.0649, 69.0753 |
+ | + | + | + | + |
151 | 14.67 | Erucamide II | FAA | [M+H]+ | 338.3401 | 4.9 | 321.2128, 303.3040, 177.1675, 163.1533, 149.1386, 135.1241, 121.1086, 111.1242, 97.1100, 81.0795, 69.0789, 55.0626 |
+ | + | + | + | + |
152 | 14.87 | Stearic acid II | MFA | [M-H]- | 283.2642 | 0.2 | 283.2642, 265.2568 | + | + | + | + | + |
153 | 14.87 | Ocatdecanoic acid II | MFA | [M-H]- | 281.2478 | 2.8 | 281.2478, 263.2364 | + | + | + | + | + |
154 | 14.95 | Tetracosanoic acid | MFA | [M-H]- | 367.3573 | 2.4 | 367.3573 | + | + | + | - | - |
155 | 14.95 | Behenamide II | FAA | [M+H]+ | 340.3575 | -3.0 | 144.0966, 130.0794, 116.1097, 117.0733, 102.0963, 88.0805 |
+ | + | + | + | + |
156 | 15.04 | Nonadecanoic acid | MFA | [M-H]- | 297.2798 | 0.3 | 297.2798, 279.2667 | + | + | + | + | - |
157 | 15.16 | Eicosenamide | FAA | [M+H]+ | 310.3092 | 3.8 | 283.2647, 256.2669, 211.1508, 177.1669, 165.0719, 149.1350, 135.1205, 121.1049, 111.0859, 107.0884, 105.0752, 102.0942, 97.1063, 93.074, 91.0597, 81.0739, 79.0593, 77.0431, 69.0753, 55.0592 |
+ | + | + | + | + |
158 | 15.50 | Tricosanoic acid | MFA | [M-H]- | 353.3405 | 5.7 | 353.3405 | + | + | - | + | - |
159 | 15.56 | Eicosadienoic acid II | MFA | [M-H]- | 307.2649 | -2.0 | 289.2500, 263.2529, 261.2602 |
+ | + | + | + | + |
160 | 15.70 | Docosanoic acid (Behenic acid) |
MFA | [M-H]- | 339.3272 | -0.9 | 339.3272, 295.3106, 139.0407, 119.0496 |
+ | + | + | - | + |
161 | 15.70 | Nonadecanamide II | FAA | [M+H]+ | 298.3085 | 6.4 | 145.1033, 133.1057, 119.0907, 105.0752, 116.0642, 91.0597, 88.0845, 77.0431, 69.0745 |
+ | + | + | + | + |
162 | 15.70 | Linoleamide II | FAA | [M+H]+ | 280.2628 | 2.4 | 263.2333, 245.2219, 161.1178, 133.0839, 119.0683, 109.0826, 95.0667, 91.0353, 81.0513, 79.0352 |
- | + | - | - | - |
163 | 15.81 | Tetracosanedioic acid | DFA | [M-H]- | 397.3307 | 4.03 | 379.3195, 353.3482, 335.3321 |
+ | + | + | + | + |
164 | 15.87 | Heptadecanoic acid II (Margaric acid ) |
MFA | [M-H]- | 269.2482 | 1.5 | 269.2482, 251.2439, 225.2305 |
+ | + | + | + | + |
165 | 16.07 | Henicosanamide | FAA | [M+H]+ | 326.3426 | -2.6 | 165.0772, 159.1202, 121.1027, 109.1058, 105.0731, 102.0579, 91.0597, 69.0753, 67.0624 |
- | + | - | + | + |
166 | 16.23 | Pentacosanedioic acid II | DFA | [M-H]- | 411.3474 | 1.16 | 393.3307, 367.3678, 349.3567 |
+ | - | + | + | + |
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