Mass2Motif: motif_102

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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 0.9800797521494776. 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_121.0500 0.559
fragment_107.0500 0.238
fragment_290.2500 0.050
fragment_332.2500 0.025
fragment_373.2500 0.021
fragment_612.9500 0.012
fragment_122.0500 0.011
loss_40.2500 0.005
fragment_118.9500 0.004
loss_124.3500 0.004
loss_88.7500 0.004
fragment_726.7500 0.004
fragment_600.8500 0.004
fragment_122.9500 0.004
loss_67.0500 0.003
fragment_748.4500 0.003
loss_125.6500 0.003
fragment_333.2500 0.003
fragment_621.8500 0.003
loss_193.6500 0.003
fragment_477.1500 0.003
fragment_569.4500 0.002
fragment_451.1500 0.002
fragment_104.9500 0.002
fragment_473.9500 0.002
fragment_205.1500 0.002
fragment_177.6500 0.001
loss_39.2500 0.001
fragment_55.0500 0.001
fragment_248.2500 0.001

Counts of Classyfire Substituent terms

Term name Count in motif Percentage in motif Percentage in experiment Absolute difference
Hydrocarbon derivative 121 100 100 0
Organooxygen compound 116 95.9 95.3 0.5
Carbonyl group 34 28.1 44.0 15.9
Organic nitrogen compound 32 26.4 55.6 29.2
Organonitrogen compound 30 24.8 54.1 29.3
Organopnictogen compound 25 20.7 45.2 24.6
Alcohol 16 13.2 14.7 1.4
Benzenoid 11 9.1 18.3 9.3
Azacycle 10 8.3 22.6 14.3
Secondary alcohol 10 8.3 7.7 0.6
Aliphatic acyclic compound 6 5.0 2.9 2.0
Oxacycle 4 3.3 7.9 4.6
Acetal 3 2.5 1.5 1.0
Polyol 3 2.5 1.6 0.9
O-glycosyl compound 3 2.5 1.2 1.3
Heteroaromatic compound 2 1.7 5.8 4.1
Aromatic heteropolycyclic compound 2 1.7 9.6 8.0
Aromatic homomonocyclic compound 2 1.7 0.1 1.6
1-hydroxy-2-unsubstituted benzenoid 2 1.7 1.3 0.4
Primary alcohol 2 1.7 0.9 0.8
Oxane 2 1.7 1.9 0.3
Organoheterocyclic compound 2 1.7 13.3 11.7
Carboxylic acid ester 1 0.8 1.8 1.0
Glycosyl compound 1 0.8 0.7 0.1

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_3694 641.4460 641.4460 None 0.964 0.626
document_2062 497.7010 497.7010 None 0.874 0.600
document_2776 557.4290 557.4290 None 0.817 0.050
document_5557 815.5130 815.5130 None 0.729 0.045
document_2975 575.4390 575.4390 None 0.683 0.050
document_3220 599.4410 599.4410 None 0.672 0.075
document_3404 617.4480 617.4480 None 0.510 0.075
document_2052 497.6180 497.6180 None 0.481 0.603
document_4557 706.4490 706.4490 None 0.335 0.563
document_2109 498.9010 498.9010 None 0.315 0.584
document_2 307.3020 307.3020 None 0.307 0.238
document_3262 603.4690 603.4690 None 0.301 0.050
document_5016 734.4700 734.4700 None 0.289 0.797
document_3607 638.1570 638.1570 None 0.238 0.238
document_3885 666.5980 666.5980 None 0.231 0.592
document_2055 497.3490 497.3490 None 0.222 0.582
document_3127 590.4260 590.4260 None 0.198 0.571
document_1718 473.2320 473.2320 None 0.195 0.582
document_2655 546.4000 546.4000 None 0.187 0.796
document_227 410.2150 410.2150 None 0.180 0.559
document_4356 696.1960 696.1960 Rifamycin S 0.162 0.238
document_3709 643.5850 643.5850 None 0.162 0.612
document_4726 716.4160 716.4160 None 0.155 0.799
document_4622 712.4170 712.4170 None 0.149 0.238
document_438 418.7540 418.7540 None 0.145 0.559
document_4168 689.8060 689.8060 None 0.142 0.559
document_314 413.9000 413.9000 None 0.141 0.559
document_222 409.3820 409.3820 None 0.137 0.238
document_4695 716.4150 716.4150 None 0.136 0.799
document_3464 625.5750 625.5750 None 0.134 0.588
document_4281 690.5070 690.5070 None 0.128 0.559
document_4688 716.4150 716.4150 None 0.126 0.810
document_4609 711.4000 711.4000 None 0.123 0.240
document_4217 690.4010 690.4010 None 0.121 0.239
document_2654 546.3990 546.3990 None 0.121 0.560
document_2315 511.7520 511.7520 None 0.121 0.797
document_4188 689.8790 689.8790 None 0.114 0.560
document_5351 766.5300 766.5300 None 0.114 0.562
document_1683 470.2910 470.2910 None 0.113 0.238
document_4254 690.4020 690.4020 None 0.113 0.560
document_3107 590.4160 590.4160 None 0.112 0.560
document_4965 732.4050 732.4050 None 0.112 0.560
document_1160 439.2630 439.2630 None 0.111 0.241
document_3892 666.6040 666.6040 None 0.110 0.592
document_4202 690.4000 690.4000 None 0.109 0.560
document_1863 485.2880 485.2880 None 0.108 0.559
document_5196 744.4430 744.4430 None 0.108 0.239
document_361 413.5450 413.5450 None 0.107 0.559
document_4966 733.2420 733.2420 None 0.106 0.238
document_2988 576.4100 576.4100 None 0.106 0.558
document_2110 498.8990 498.8990 None 0.104 0.559
document_3613 638.2600 638.2600 None 0.104 0.238
document_4715 716.4610 716.4610 None 0.103 0.239
document_2520 532.3840 532.3840 None 0.102 0.560
document_4222 690.4020 690.4020 None 0.100 0.559
document_4189 689.4490 689.4490 None 0.098 0.798
document_1961 491.2120 491.2120 None 0.097 0.560
document_1495 458.3460 458.3460 None 0.097 0.560
document_5257 752.5140 752.5140 None 0.096 0.559
document_4223 690.4170 690.4170 None 0.095 0.559
document_109 402.3530 402.3530 None 0.095 0.559
document_2657 546.4890 546.4890 None 0.093 0.239
document_4142 685.7460 685.7460 None 0.093 0.238
document_5211 744.4860 744.4860 None 0.093 0.560
document_4403 702.6810 702.6810 None 0.091 0.560
document_3428 620.4350 620.4350 None 0.090 0.559
document_46 401.2470 401.2470 None 0.087 0.559
document_2986 576.4060 576.4060 None 0.087 0.559
document_1692 471.2930 471.2930 None 0.082 0.559
document_684 424.2440 424.2440 None 0.080 0.555
document_3875 664.4630 664.4630 None 0.079 0.584
document_4207 690.4010 690.4010 None 0.079 0.559
document_4717 716.4150 716.4150 None 0.078 0.238
document_4731 716.4160 716.4160 None 0.077 0.559
document_1797 480.2210 480.2210 None 0.077 0.239
document_4276 690.5060 690.5060 None 0.076 0.238
document_1215 442.3790 442.3790 None 0.075 0.559
document_2108 498.9000 498.9000 None 0.074 0.559
document_5194 744.4430 744.4430 None 0.072 0.560
document_4267 690.4560 690.4560 None 0.071 0.238
document_1636 467.3050 467.3050 None 0.071 0.239
document_3665 639.4070 639.4070 None 0.071 0.580
document_3706 643.5000 643.5000 None 0.070 0.817
document_3974 678.3660 678.3660 None 0.068 0.559
document_4523 704.4150 704.4150 None 0.067 0.560
document_5198 744.4430 744.4430 None 0.067 0.560
document_768 429.3570 429.3570 None 0.067 0.238
document_4819 718.5340 718.5340 None 0.065 0.557
document_1043 433.2070 433.2070 None 0.065 0.562
document_4683 716.4150 716.4150 None 0.064 0.559
document_2461 526.8380 526.8380 None 0.064 0.571
document_3975 676.4660 676.4660 None 0.064 0.559
document_1385 451.2270 451.2270 None 0.063 0.559
document_4728 716.4160 716.4160 None 0.063 0.239
document_2106 498.8980 498.8980 None 0.063 0.559
document_1362 449.3240 449.3240 None 0.063 0.237
document_4190 688.9900 688.9900 None 0.062 0.236
document_775 429.1790 429.1790 None 0.061 0.559
document_4747 716.5220 716.5220 None 0.060 0.560
document_5197 744.4430 744.4430 None 0.060 0.560
document_5827 959.5150 959.5150 None 0.060 0.559
document_1946 489.3660 489.3660 None 0.059 0.288
document_4204 690.4010 690.4010 None 0.059 0.560
document_5184 744.4430 744.4430 None 0.059 0.239
document_4503 704.4140 704.4140 None 0.058 0.076
document_4771 718.4300 718.4300 None 0.058 0.560
document_2185 502.3680 502.3680 None 0.057 0.559
document_202 408.9060 408.9060 None 0.057 0.559
document_2092 498.8960 498.8960 None 0.055 0.559
document_3614 638.2680 638.2680 None 0.055 0.559
document_4506 704.4150 704.4150 None 0.054 0.559
document_2422 523.2770 523.2770 None 0.054 0.559
document_4227 690.4010 690.4010 None 0.053 0.560
document_5650 840.5670 840.5670 None 0.053 0.559
document_2961 573.3420 573.3420 None 0.053 0.558
document_2012 496.6510 496.6510 None 0.053 0.559
document_4266 690.4520 690.4520 None 0.052 0.560
document_2651 546.4000 546.4000 None 0.052 0.560
document_829 429.2460 429.2460 None 0.051 0.559
document_5349 766.5290 766.5290 None 0.050 0.559
document_2011 495.2830 495.2830 None 0.050 0.249

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.