The following are the full annotation and the short annotation (used for network visualisation) assigned to this Mass2Motif.
Annotation: 117 spectra, 76 molecules, 13 classes: 18.4% Paraconic acids, 17.1% Depsidones, 15.8% Quinones, 14.5% Cleavage Products of Depsides and Depsidones, 10.5% Terpenoids : Triterpenes, 6.6% Dibenzofuranes, 5.3% Acids, 3.9% Depsides (Didepsides), 2.6% Xanthones
Short Annotation: 117 spectra, 76 molecules, 13 classes: 18.4% Paraconic acids, 17.1% Depsidones, 15.8% Quinones, 14.5% Cleavage Products of Depsides and Depsidones, 10.5% Terpenoids : Triterpenes, 6.6% Dibenzofuranes, 5.3% Acids, 3.9% Depsides (Didepsides), 2.6% Xanthones
The following table shows the fragment and loss features that are explained by this Mass2Motifs and their corresponding probabilities. After thresholding to save the model, the total probability left in this motif is 0.9917094772812355. The column MAGMa Substructure Annotation shows substructures and the counts of MAGMa annotations for documents linked above threshold to this motif in this experiment. Hovering over each MAGMa substructure shows a plot of the substructure.
| Feature | Probability | MAGMA Substructure Annotation |
|---|---|---|
| loss_18.0150 | 0.979 |
|
| loss_36.0250 | 0.011 |
|
| fragment_91.0550 | 0.002 |
|
| Term name | Count in motif | Percentage in motif | Percentage in experiment | Absolute difference |
|---|---|---|---|---|
| Hydrocarbon derivative | 117 | 100 | 100 | 0 |
| Organooxygen compound | 113 | 96.6 | 95.7 | 0.9 |
| Oxacycle | 31 | 26.5 | 18.7 | 7.8 |
| Benzenoid | 30 | 25.6 | 22.0 | 3.6 |
| Alcohol | 26 | 22.2 | 15.8 | 6.4 |
| Carbonyl group | 26 | 22.2 | 20 | 2.2 |
| Organoheterocyclic compound | 19 | 16.2 | 15.0 | 1.2 |
| Aromatic heteropolycyclic compound | 16 | 13.7 | 10.3 | 3.3 |
| Organonitrogen compound | 10 | 8.5 | 18.9 | 10.4 |
| Secondary alcohol | 10 | 8.5 | 7.7 | 0.9 |
| Organic nitrogen compound | 9 | 7.7 | 18.5 | 10.8 |
| 1-hydroxy-2-unsubstituted benzenoid | 9 | 7.7 | 3.5 | 4.2 |
| Organopnictogen compound | 6 | 5.1 | 14.1 | 9.0 |
| Phenol | 6 | 5.1 | 1.2 | 3.9 |
| Heteroaromatic compound | 6 | 5.1 | 5.4 | 0.2 |
| Oxane | 5 | 4.3 | 2.7 | 1.6 |
| Polyol | 5 | 4.3 | 3.0 | 1.3 |
| Carboxylic acid ester | 5 | 4.3 | 3.5 | 0.8 |
| 1-benzopyran | 5 | 4.3 | 0.9 | 3.3 |
| 1-hydroxy-4-unsubstituted benzenoid | 5 | 4.3 | 1.7 | 2.5 |
| Acetal | 4 | 3.4 | 1.7 | 1.7 |
| Pyranone | 3 | 2.6 | 0.4 | 2.2 |
| Vinylogous acid | 3 | 2.6 | 0.7 | 1.9 |
| Aliphatic homopolycyclic compound | 3 | 2.6 | 0.8 | 1.8 |
| Primary alcohol | 2 | 1.7 | 0.9 | 0.8 |
| O-glycosyl compound | 2 | 1.7 | 1.3 | 0.4 |
| Glycosyl compound | 2 | 1.7 | 1.5 | 0.2 |
| Pyran | 2 | 1.7 | 0.5 | 1.2 |
| 5-hydroxyflavonoid | 2 | 1.7 | 0.3 | 1.4 |
| Hydroxyflavonoid | 2 | 1.7 | 0.3 | 1.4 |
| Chromone | 2 | 1.7 | 0.4 | 1.3 |
| Azacycle | 2 | 1.7 | 9.1 | 7.4 |
| Aromatic homomonocyclic compound | 1 | 0.9 | 0.5 | 0.3 |
| Cyclic alcohol | 1 | 0.9 | 0.3 | 0.6 |
| Alpha | 1 | 0.9 | 0.5 | 0.3 |
| Carboxamide group | 1 | 0.9 | 0.5 | 0.3 |
Two bar plots will appear below this message. The first shows the proportion of the total intensity of these features explained by this Mass2Motif. Red bars show the total intensity (across the whole dataset), blue bars show the proportion explained by the selected Mass2Motif. The second shows the number of times each feature in this Mass2Motif appears in the documents associated with this Mass2Motif.
The following table lists all fragmentation spectra that are explained by this Mass2Motif at the threshold specified in the experiment option.
| Fragmentation spectra | Precursor Mass | Parent mass | Annotation | Probability | Overlap Score |
|---|---|---|---|---|---|
| LDB_134_Orsellinic acid | 169.0501 | 168.0428 | None | 0.480 | 0.979 |
| LDB_288_Rhizonic acid | 197.0814 | 196.0741 | None | 0.475 | 0.979 |
| LDB_430_5-Chloroorsellinic acid | 203.0111 | 202.0038 | None | 0.475 | 0.979 |
| LDB_152_b-Orcinolcarboxylic acid | 183.0657 | 182.0584 | None | 0.467 | 0.979 |
| LDB_668_5-Chloroorsellinic acid | 203.0111 | 202.0038 | None | 0.443 | 0.979 |
| LDB_685_Orsellinic acid | 169.0501 | 168.0428 | None | 0.440 | 0.979 |
| LDB_327_Endocrocin | 315.0505 | 314.0432 | None | 0.438 | 0.979 |
| LDB_230_Beta-orcinol | 139.0759 | 138.0686 | None | 0.416 | 0.980 |
| LDB_565_Merochlorophaeic acid | 485.1578 | 484.1505 | None | 0.416 | 0.979 |
| LDB_563_b-Orcinolcarboxylic acid | 183.0657 | 182.0584 | None | 0.401 | 0.980 |
| LDB_596_Rhizonic acid | 197.0814 | 196.0741 | None | 0.389 | 0.979 |
| LDB_157_4-O-methylolivetolcarboxylic acid | 239.1283 | 238.1210 | None | 0.385 | 0.990 |
| LDB_352_Divaric acid | 197.0814 | 196.0741 | None | 0.375 | 0.981 |
| LDB_460_Portentol | 333.1678 | 332.1605 | None | 0.359 | 0.979 |
| LDB_175_5-Chlorodivaricatinic acid | 245.0581 | 244.0508 | None | 0.348 | 0.990 |
| LDB_128_Lobariolcarboxylic acid (Lobarin) | 497.1788 | 496.1715 | None | 0.344 | 0.990 |
| LDB_246_Porphyrilic acid | 315.0505 | 314.0432 | None | 0.334 | 0.979 |
| LDB_600_Diffractaic acid | 397.1263 | 396.1190 | None | 0.327 | 0.979 |
| LDB_655_Merochlorophaeic acid | 469.1838 | 468.1765 | None | 0.321 | 0.979 |
| LDB_680_Divaric acid | 197.0814 | 196.0741 | None | 0.320 | 0.980 |
| LDB_473_4-O-methylolivetolcarboxylic acid | 239.1283 | 238.1210 | None | 0.291 | 0.983 |
| LDB_41_Endocrocin | 315.0499 | 314.0427 | None | 0.289 | 0.979 |
| LDB_170_"2,4,6-Trihydroxyacetophenone" | 169.0501 | 168.0428 | None | 0.280 | 0.979 |
| LDB_85_Skyrin | 539.0944 | 538.0871 | None | 0.279 | 0.979 |
| LDB_708_Roccellaric acid | 327.2535 | 326.2462 | None | 0.265 | 0.980 |
| LDB_254_"2-Hydroxy-4,6-dimethoxyacetophenone" | 197.0814 | 196.0741 | None | 0.261 | 0.979 |
| LDB_480_5-Chlorodivaricatinic acid | 245.0581 | 244.0508 | None | 0.252 | 0.984 |
| LDB_693_Nephrosteranic acid | 299.2222 | 298.2149 | None | 0.243 | 0.980 |
| LDB_701_Didymic acid | 371.1858 | 370.1785 | None | 0.240 | 0.979 |
| LDB_617_Neodihydroprotolichesterinic acid | 327.2535 | 326.2462 | None | 0.232 | 0.980 |
| LDB_22_Methoxyhaemoventosine | 335.0751 | 334.0678 | None | 0.222 | 0.979 |
| LDB_542_Skyrin | 539.0978 | 538.0905 | None | 0.218 | 0.983 |
| LDB_714_Protolichesterinic acid | 325.2379 | 324.2306 | None | 0.218 | 0.980 |
| LDB_632_Dihydropertusaric | 369.2641 | 368.2568 | None | 0.216 | 0.979 |
| LDB_529_Haemoventosine | 305.0661 | 304.0588 | None | 0.214 | 0.979 |
| LDB_595_Lobaric acid | 479.1682 | 478.1609 | None | 0.209 | 0.979 |
| LDB_422_Didymic acid | 371.1858 | 370.1785 | None | 0.205 | 0.979 |
| LDB_209_Merochlorophaeic acid | 469.1838 | 468.1765 | None | 0.202 | 0.979 |
| LDB_445_Merochlorophaeic acid | 485.1578 | 484.1505 | None | 0.201 | 0.979 |
| LDB_484_allo-Protolichesterinic acid | 325.2379 | 324.2306 | None | 0.196 | 0.980 |
| LDB_512_Portentol | 333.1678 | 332.1605 | None | 0.195 | 0.979 |
| LDB_546_Lichesterinic acid | 325.2379 | 324.2306 | None | 0.192 | 0.980 |
| LDB_406_Diffractaic acid | 397.1263 | 396.1190 | None | 0.184 | 0.978 |
| LDB_720_Usnic acid | 345.0974 | 344.0901 | None | 0.182 | 0.980 |
| LDB_471_Isomuronic acid | 367.2484 | 366.2411 | None | 0.178 | 0.980 |
| LDB_415_Lobaric acid | 479.1682 | 478.1609 | None | 0.169 | 0.979 |
| LDB_458_Skyrin | 539.0978 | 538.0905 | None | 0.167 | 0.979 |
| LDB_716_"2,4,6-Trihydroxyacetophenone" | 169.0501 | 168.0428 | None | 0.155 | 0.979 |
| LDB_320_Usnic acid | 345.0974 | 344.0901 | None | 0.151 | 0.980 |
| LDB_554_Alpha-Alectoronic acid | 513.2125 | 512.2052 | None | 0.147 | 0.982 |
| LDB_536_Pertusaric acid | 367.2484 | 366.2411 | None | 0.146 | 0.980 |
| LDB_560_Solorinic acid | 385.1287 | 384.1214 | None | 0.145 | 0.979 |
| LDB_494_Isomurolic acid | 369.2641 | 368.2568 | None | 0.144 | 0.977 |
| LDB_642_Alpha-collatolic acid | 527.2281 | 526.2208 | None | 0.144 | 0.983 |
| LDB_260_Schizopeltic acid | 359.1131 | 358.1058 | None | 0.143 | 0.979 |
| LDB_62_Haemoventosine | 305.0643 | 304.0571 | None | 0.141 | 0.979 |
| LDB_733_Muronic acid | 367.2484 | 366.2411 | None | 0.140 | 0.980 |
| LDB_618_Stictic acid | 387.0716 | 386.0643 | None | 0.139 | 0.979 |
| LDB_470_Psoromic acid | 359.0767 | 358.0694 | None | 0.134 | 0.979 |
| LDB_6_Haemoventosine | 337.0923 | 336.0850 | None | 0.133 | 0.979 |
| LDB_436_Citreorosein | 287.0556 | 286.0483 | None | 0.132 | 0.979 |
| LDB_558_allo-Pertusaric acid | 367.2484 | 366.2411 | None | 0.127 | 0.980 |
| LDB_501_Dihydromuronic acid | 369.2641 | 368.2568 | None | 0.124 | 0.973 |
| LDB_10_Secalonic acid A | 661.1533 | 660.1460 | None | 0.119 | 0.979 |
| LDB_647_Haemoventosine | 337.0923 | 336.0850 | None | 0.118 | 0.979 |
| LDB_278_Fallacinol (Teloschistin) | 301.0712 | 300.0639 | None | 0.110 | 0.979 |
| LDB_540_Variolaric acid | 315.0505 | 314.0432 | None | 0.109 | 0.979 |
| LDB_57_22-Hydroxy-1-hopanone | 443.3800 | 442.3727 | None | 0.109 | 0.980 |
| LDB_321_21-Hopen-3-on | 443.3889 | 442.3816 | None | 0.108 | 0.928 |
| LDB_245_22-hydroxy-7-hopanone | 443.3889 | 442.3816 | None | 0.108 | 0.973 |
| LDB_294_Psoromic acid | 359.0767 | 358.0694 | None | 0.104 | 0.979 |
| LDB_384_Alpha-Alectoronic acid | 513.2125 | 512.2052 | None | 0.103 | 0.981 |
| LDB_204_Solorinic acid | 385.1287 | 384.1214 | None | 0.100 | 0.979 |
| LDB_83_17(21)-Hopen-6-one | 425.3721 | 424.3648 | None | 0.098 | 0.945 |
| LDB_657_Methoxyhaemoventosine | 335.0767 | 334.0694 | None | 0.098 | 0.979 |
| LDB_606_Caperatic acid | 425.2515 | 424.2442 | None | 0.097 | 0.979 |
| LDB_180_Chiodectonic acid | 335.0403 | 334.0330 | None | 0.097 | 0.979 |
| LDB_541_Argopsin | 429.0508 | 428.0435 | None | 0.094 | 0.979 |
| LDB_398_Isomuronic acid | 367.2484 | 366.2411 | None | 0.092 | 0.970 |
| LDB_60_22a-Acetoxy-3-stictanone | 485.3914 | 484.3841 | None | 0.091 | 0.979 |
| LDB_100_Picrolichenic acid | 475.2332 | 474.2259 | None | 0.090 | 0.979 |
| LDB_615_Virensic acid | 359.0767 | 358.0694 | None | 0.086 | 0.979 |
| LDB_306_Roccellic acid | 301.2379 | 300.2306 | None | 0.082 | 0.979 |
| LDB_116_"25-Acetoxy-20(S),24(R)-epoxy-3-oxodammarane" | 501.3944 | 500.3871 | None | 0.082 | 0.904 |
| LDB_505_Picrolichenic acid | 475.2332 | 474.2259 | None | 0.078 | 0.979 |
| LDB_619_Murolic acid | 369.2641 | 368.2568 | None | 0.075 | 0.972 |
| LDB_503_Norstictic acid | 373.0560 | 372.0487 | None | 0.074 | 0.979 |
| LDB_290_Calycin | 339.0869 | 338.0796 | None | 0.074 | 0.979 |
| LDB_54_22-Hydoxy-2-hopen-1-one | 441.3678 | 440.3605 | None | 0.072 | 0.945 |
| LDB_35_Olivetonide | 249.1122 | 248.1049 | None | 0.072 | 0.979 |
| LDB_707_Stictic acid | 409.0536 | 408.0463 | None | 0.072 | 0.979 |
| LDB_59_Citreorosein | 287.0540 | 286.0467 | None | 0.071 | 0.979 |
| LDB_45_Secalonic acid A | 639.1696 | 638.1623 | None | 0.070 | 0.979 |
| LDB_453_Olivetonide | 249.1127 | 248.1054 | None | 0.068 | 0.979 |
| LDB_303_Lobaric acid | 457.1862 | 456.1789 | None | 0.067 | 0.979 |
| LDB_210_Lividic acid | 523.1944 | 522.1871 | None | 0.067 | 0.979 |
| LDB_441_Sekikaic acid | 419.1706 | 418.1633 | None | 0.066 | 0.975 |
| LDB_691_"1,6-Dihydroxy-3,8-dimethylxanthone" | 257.0814 | 256.0741 | None | 0.066 | 0.979 |
| LDB_38_Emodic acid | 301.0338 | 300.0265 | None | 0.066 | 0.979 |
| LDB_444_Isorangiformic acid | 387.2747 | 386.2674 | None | 0.065 | 0.975 |
| LDB_383_Caperatic acid | 425.2515 | 424.2442 | None | 0.061 | 0.979 |
| LDB_410_3-Hydroxyphysodic acid | 509.1788 | 508.1715 | None | 0.059 | 0.979 |
| LDB_366_Stictic acid | 387.0716 | 386.0643 | None | 0.058 | 0.979 |
| LDB_695_3-Methoxycolensoic acid | 505.2438 | 504.2365 | None | 0.055 | 0.979 |
| LDB_426_"25-Acetoxy-3b-hydroxy-20(S),24(R)-epoxydammarane" | 503.4100 | 502.4027 | None | 0.055 | 0.852 |
| LDB_396_Parietinic acid | 315.0505 | 314.0432 | None | 0.054 | 0.979 |
| LDB_437_Dihydropertusaric | 369.2641 | 368.2568 | None | 0.054 | 0.942 |
| LDB_318_Acaranoic acid | 299.2222 | 298.2149 | None | 0.054 | 0.969 |
| LDB_53_Rhodocladonic acid | 319.0440 | 318.0367 | None | 0.054 | 0.979 |
| LDB_537_Citreorosein | 287.0556 | 286.0483 | None | 0.052 | 0.979 |
| LDB_5_Haemoventosine | 351.0716 | 350.0643 | None | 0.051 | 0.979 |
| LDB_123_Muronic acid | 367.2484 | 366.2411 | None | 0.051 | 0.943 |
| LDB_429_Polyporic acid | 339.0869 | 338.0796 | None | 0.051 | 0.979 |
| LDB_237_Lichesterinic acid | 325.2379 | 324.2306 | None | 0.051 | 0.979 |
| LDB_620_3-Hydroxyphysodic acid | 509.1788 | 508.1715 | None | 0.051 | 0.979 |
| LDB_250_Isousnic acid | 345.0974 | 344.0901 | None | 0.050 | 0.979 |
| LDB_625_Chlorovirensic acid | 393.0377 | 392.0304 | None | 0.050 | 0.979 |
The fragmentation spectra of molecules explained by this Mass2Motif are plotted below. Features (fragments and losses) explained by this Mass2Motif will be coloured red, while parent ion is coloured in blue. Click Next and Previous to cycle through the fragmentation spectra.