Mass2Motif: motif_115

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Mass2Motif Annotation

The following are the full annotation and the short annotation (used for network visualisation) assigned to this Mass2Motif.

Annotation: None

Short Annotation: None

Mass2Motif Details

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 0.9414264406248681. 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
fragment_173.0500 0.731
loss_187.1500 0.063
fragment_174.0500 0.035
fragment_232.0500 0.016
fragment_210.1500 0.012
loss_150.1500 0.012
fragment_296.1500 0.009
fragment_187.9500 0.008
fragment_713.3500 0.008
fragment_541.2500 0.006
fragment_233.0500 0.004
loss_148.5500 0.003
loss_51.5500 0.003
fragment_224.9500 0.002
fragment_175.0500 0.002
fragment_91.9500 0.002
fragment_100.9500 0.002
fragment_407.2500 0.002
fragment_414.1500 0.002
fragment_393.0500 0.002
loss_100.1500 0.002
loss_85.5500 0.002
fragment_392.2500 0.002
fragment_808.3500 0.002
loss_148.1500 0.002
loss_149.0500 0.001
loss_122.1500 0.001
fragment_204.0500 0.001
loss_148.9500 0.001
fragment_610.7500 0.001
fragment_303.0500 0.001
loss_150.0500 0.001

Counts of Classyfire Substituent terms

Term name Count in motif Percentage in motif Percentage in experiment Absolute difference
Hydrocarbon derivative 142 100 100 0
Organooxygen compound 141 99.3 95.3 4.0
Organonitrogen compound 93 65.5 54.1 11.4
Organic nitrogen compound 89 62.7 55.6 7.0
Organopnictogen compound 79 55.6 45.2 10.4
Carbonyl group 55 38.7 44.0 5.3
Azacycle 49 34.5 22.6 11.9
Benzenoid 27 19.0 18.3 0.7
Aromatic heteropolycyclic compound 15 10.6 9.6 0.9
Organoheterocyclic compound 14 9.9 13.3 3.5
Heteroaromatic compound 10 7.0 5.8 1.3
Amine 9 6.3 4.4 2.0
Oxacycle 6 4.2 7.9 3.7
Carboxamide group 6 4.2 5.5 1.3
Alcohol 5 3.5 14.7 11.1
Secondary alcohol 4 2.8 7.7 4.9
Aliphatic acyclic compound 2 1.4 2.9 1.5
Primary alcohol 1 0.7 0.9 0.2
Oxane 1 0.7 1.9 1.2
O-glycosyl compound 1 0.7 1.2 0.5
Polyol 1 0.7 1.6 0.9
Acetal 1 0.7 1.5 0.7
Carboxylic acid ester 1 0.7 1.8 1.1

Counts of Mass2Motif Features

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.

Fragmentation Spectra Explained by 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
document_2594 541.1960 541.1960 None 0.994 0.777
document_2595 541.1960 541.1960 None 0.988 0.777
document_2596 541.1960 541.1960 None 0.988 0.769
document_3625 639.2780 639.2780 None 0.973 0.769
document_1452 459.0700 459.0700 None 0.970 0.772
document_3801 655.2720 655.2720 None 0.969 0.768
document_2592 541.1960 541.1960 None 0.966 0.783
document_1812 482.0190 482.0190 None 0.963 0.768
document_1496 459.1420 459.1420 None 0.954 0.772
document_1499 459.1430 459.1430 None 0.951 0.780
document_2600 541.1960 541.1960 None 0.942 0.767
document_2323 512.3190 512.3190 None 0.917 0.767
document_2598 541.1960 541.1960 None 0.906 0.771
document_2321 512.3190 512.3190 None 0.905 0.773
document_2599 541.1960 541.1960 None 0.902 0.771
document_1833 482.1980 482.1980 None 0.899 0.768
document_2597 541.1950 541.1950 None 0.888 0.774
document_2322 512.3190 512.3190 None 0.886 0.770
document_2601 541.1960 541.1960 None 0.882 0.769
document_2325 512.3190 512.3190 None 0.869 0.769
document_2593 541.1960 541.1960 None 0.859 0.766
document_456 419.2050 419.2050 None 0.834 0.814
document_4371 699.2020 699.2020 None 0.822 0.766
document_2324 512.3190 512.3190 None 0.761 0.776
document_1498 459.1420 459.1420 None 0.760 0.766
document_2275 507.3750 507.3750 None 0.757 0.095
document_2585 540.7080 540.7080 None 0.719 0.768
document_4357 696.3300 696.3300 None 0.661 0.769
document_3133 591.2920 591.2920 None 0.653 0.009
document_2679 549.2880 549.2880 None 0.612 0.766
document_458 419.2410 419.2410 None 0.595 0.095
document_3223 600.3440 600.3440 None 0.548 0.808
document_2578 538.9640 538.9640 None 0.542 0.766
document_2935 571.3620 571.3620 None 0.510 0.780
document_1497 459.3880 459.3880 None 0.492 0.766
document_3143 592.7810 592.7810 None 0.479 0.752
document_259 413.1980 413.1980 None 0.410 0.076
document_2584 540.3530 540.3530 None 0.406 0.762
document_2959 573.3200 573.3200 None 0.375 0.766
document_1654 468.3690 468.3690 None 0.355 0.743
document_3229 600.7780 600.7780 None 0.351 0.744
document_4961 731.8510 731.8510 None 0.298 0.766
document_2940 571.3220 571.3220 None 0.279 0.771
document_2945 571.3240 571.3240 None 0.278 0.771
document_4960 731.8510 731.8510 None 0.263 0.733
document_1186 440.2780 440.2780 None 0.254 0.794
document_2817 563.3010 563.3010 None 0.243 0.771
document_2816 563.3030 563.3030 None 0.241 0.771
document_2797 561.2540 561.2540 None 0.235 0.731
document_3208 598.3580 598.3580 None 0.233 0.744
document_236 411.1570 411.1570 None 0.228 0.735
document_1579 463.2980 463.2980 None 0.223 0.731
document_1481 457.5250 457.5250 None 0.216 0.731
document_3075 587.2830 587.2830 None 0.208 0.769
document_2646 546.2990 546.2990 None 0.206 0.731
document_2226 505.3620 505.3620 None 0.205 0.063
document_1311 443.3470 443.3470 None 0.202 0.731
document_2616 542.3530 542.3530 None 0.181 0.766
document_1821 481.3620 481.3620 None 0.179 0.794
document_2565 537.4740 537.4740 None 0.173 0.731
document_1260 443.2240 443.2240 None 0.165 0.731
document_3275 605.3470 605.3470 None 0.161 0.770
document_1161 439.2640 439.2640 None 0.160 0.731
document_1653 468.3230 468.3230 None 0.156 0.734
document_728 427.0740 427.0740 None 0.156 0.731
document_1493 458.2950 458.2950 None 0.152 0.731
document_1321 445.2710 445.2710 None 0.129 0.731
document_791 429.1790 429.1790 None 0.122 0.733
document_2575 537.4890 537.4890 None 0.118 0.731
document_2569 537.4880 537.4880 None 0.117 0.731
document_296 413.2180 413.2180 None 0.114 0.730
document_1504 459.2140 459.2140 None 0.111 0.731
document_1488 457.4000 457.4000 None 0.104 0.733
document_1271 443.2470 443.2470 None 0.103 0.731
document_5171 742.8410 742.8410 None 0.103 0.749
document_64 401.2470 401.2470 None 0.100 0.731
document_1447 457.0300 457.0300 None 0.099 0.731
document_527 421.1520 421.1520 None 0.098 0.731
document_1354 449.1850 449.1850 None 0.097 0.734
document_283 413.2140 413.2140 None 0.097 0.730
document_1678 470.2260 470.2260 None 0.094 0.766
document_1348 448.1760 448.1760 None 0.094 0.725
document_1273 443.2490 443.2490 None 0.092 0.731
document_2746 555.2920 555.2920 None 0.090 0.731
document_4994 733.3240 733.3240 None 0.089 0.731
document_320 413.2330 413.2330 None 0.088 0.731
document_1133 437.2300 437.2300 None 0.087 0.731
document_2577 539.1700 539.1700 None 0.086 0.765
document_2147 498.9010 498.9010 None 0.086 0.731
document_528 421.1640 421.1640 None 0.085 0.731
document_5527 805.4830 805.4830 None 0.084 0.731
document_1298 443.3310 443.3310 None 0.084 0.766
document_1116 437.1160 437.1160 None 0.082 0.770
document_2504 531.2720 531.2720 None 0.080 0.794
document_3911 668.3620 668.3620 None 0.079 0.731
document_2924 569.3650 569.3650 None 0.078 0.742
document_3076 587.2870 587.2870 None 0.078 0.731
document_3142 592.7360 592.7360 None 0.078 0.731
document_1443 458.6670 458.6670 None 0.076 0.731
document_1374 450.3810 450.3810 None 0.075 0.731
document_2827 564.2840 564.2840 None 0.073 0.730
document_3724 645.2730 645.2730 None 0.073 0.731
document_186 408.4920 408.4920 None 0.071 0.731
document_3032 582.3630 582.3630 Rosamicin 0.071 0.730
document_4 400.2810 400.2810 None 0.071 0.731
document_4854 722.5010 722.5010 None 0.071 0.063
document_2604 541.2480 541.2480 None 0.070 0.731
document_2064 498.1500 498.1500 None 0.069 0.768
document_35 401.2050 401.2050 None 0.068 0.731
document_4870 724.3780 724.3780 None 0.067 0.731
document_5371 770.4290 770.4290 None 0.067 0.774
document_201 408.2470 408.2470 None 0.066 0.731
document_4959 731.4680 731.4680 None 0.066 0.734
document_1432 458.8770 458.8770 None 0.066 0.731
document_5026 735.3550 735.3550 None 0.065 0.731
document_3205 598.2220 598.2220 None 0.064 0.731
document_1014 431.2500 431.2500 None 0.063 0.731
document_367 413.2700 413.2700 None 0.063 0.731
document_718 426.3190 426.3190 MLS000830274-01!Ethmozine 0.063 0.787
document_1697 472.2390 472.2390 None 0.063 0.731
document_2207 504.2890 504.2890 None 0.062 0.731
document_243 412.1670 412.1670 None 0.062 0.731
document_1272 443.2540 443.2540 None 0.061 0.731
document_525 421.2000 421.2000 None 0.060 0.731
document_1105 435.2140 435.2140 None 0.060 0.731
document_786 429.1790 429.1790 None 0.058 0.731
document_2038 499.3600 499.3600 None 0.057 0.733
document_1225 441.3060 441.3060 None 0.057 0.730
document_3087 587.3750 587.3750 None 0.056 0.731
document_2579 539.2280 539.2280 None 0.056 0.733
document_765 429.1780 429.1780 None 0.056 0.731
document_2033 497.1690 497.1690 None 0.056 0.063
document_1129 437.2340 437.2340 None 0.052 0.731
document_2676 549.1860 549.1860 None 0.052 0.733
document_1429 455.9340 455.9340 None 0.051 0.730
document_5928 1431.5950 1431.5950 None 0.051 0.729
document_3561 634.8750 634.8750 None 0.051 0.731
document_1456 457.4610 457.4610 None 0.051 0.731
document_2925 569.4390 569.4390 None 0.051 0.731
document_327 413.2390 413.2390 None 0.051 0.731
document_2016 496.1600 496.1600 None 0.051 0.731
document_5264 754.4320 754.4320 None 0.050 0.734

Fragmentation Spectra Plot

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.