Mass2Motif: motif_70

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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 0.9680058285096245. 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_43.0500 0.425
loss_163.0500 0.125
fragment_673.4500 0.064
loss_42.0500 0.054
fragment_433.2500 0.039
fragment_435.2500 0.033
loss_138.9500 0.016
fragment_447.2500 0.015
loss_61.0500 0.014
fragment_674.4500 0.012
fragment_471.3500 0.011
fragment_429.2500 0.011
fragment_445.2500 0.010
fragment_415.2500 0.010
fragment_639.2500 0.010
fragment_83.8500 0.010
loss_38.9500 0.010
fragment_601.3500 0.009
fragment_164.0500 0.009
fragment_434.2500 0.006
fragment_120.9500 0.006
fragment_579.4500 0.006
fragment_436.2500 0.005
fragment_665.1500 0.005
loss_71.3500 0.005
fragment_319.2500 0.004
loss_161.9500 0.004
fragment_431.5500 0.004
fragment_602.3500 0.003
fragment_427.2500 0.003
fragment_675.4500 0.003
fragment_315.2500 0.003
fragment_594.4500 0.003
loss_121.9500 0.002
fragment_176.9500 0.002
fragment_273.2500 0.002
loss_183.1500 0.002
loss_184.9500 0.002
fragment_204.0500 0.002
fragment_57.0500 0.002
fragment_220.9500 0.001
fragment_430.2500 0.001
fragment_145.9500 0.001
loss_173.0500 0.001
fragment_416.2500 0.001
fragment_325.2500 0.001
fragment_504.2500 0.001
fragment_320.6500 0.001
loss_161.0500 0.001

Counts of Classyfire Substituent terms

Term name Count in motif Percentage in motif Percentage in experiment Absolute difference
Hydrocarbon derivative 79 100 100 0
Organooxygen compound 70 88.6 95.3 6.7
Organic nitrogen compound 57 72.2 55.6 16.5
Organonitrogen compound 55 69.6 54.1 15.5
Carbonyl group 52 65.8 44.0 21.8
Organopnictogen compound 47 59.5 45.2 14.2
Alcohol 19 24.1 14.7 9.4
Organoheterocyclic compound 15 19.0 13.3 5.7
Benzenoid 14 17.7 18.3 0.6
Azacycle 11 13.9 22.6 8.7
Secondary alcohol 10 12.7 7.7 5.0
Oxacycle 8 10.1 7.9 2.2
Aromatic heteropolycyclic compound 4 5.1 9.6 4.6
Oxane 2 2.5 1.9 0.6
Polyol 2 2.5 1.6 0.9
Heteroaromatic compound 1 1.3 5.8 4.5
Glycosyl compound 1 1.3 0.7 0.5
Monosaccharide 1 1.3 0.1 1.2
Carboxylic acid ester 1 1.3 1.8 0.5
Primary alcohol 1 1.3 0.9 0.4
O-glycosyl compound 1 1.3 1.2 0.1
Acetal 1 1.3 1.5 0.2

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_1787 478.2510 478.2510 None 0.911 0.539
document_1924 488.2700 488.2700 None 0.902 0.526
document_1757 476.2740 476.2740 None 0.888 0.728
document_5775 920.4980 920.4980 None 0.829 0.023
document_5668 847.4210 847.4210 None 0.810 0.039
document_1953 490.2890 490.2890 None 0.794 0.472
document_1786 478.2520 478.2520 None 0.732 0.660
document_4742 716.4830 716.4830 None 0.671 0.702
document_1760 476.2750 476.2750 None 0.658 0.730
document_4740 716.4830 716.4830 None 0.625 0.739
document_1952 490.2900 490.2900 None 0.607 0.667
document_4743 716.4830 716.4830 None 0.566 0.617
document_4741 716.4830 716.4830 None 0.489 0.629
document_3147 593.3160 593.3160 None 0.487 0.495
document_1735 474.2550 474.2550 None 0.464 0.638
document_1762 476.2750 476.2750 None 0.453 0.605
document_3332 612.3990 612.3990 None 0.446 0.155
document_1541 462.2600 462.2600 None 0.414 0.639
document_4745 716.4830 716.4830 None 0.399 0.618
document_5031 736.4810 736.4810 None 0.368 0.034
document_4939 730.4990 730.4990 None 0.367 0.724
document_4940 730.4980 730.4980 None 0.332 0.467
document_4937 730.5010 730.5010 None 0.323 0.729
document_3329 612.3980 612.3980 None 0.321 0.523
document_4739 716.4830 716.4830 None 0.315 0.700
document_4738 716.4830 716.4830 None 0.279 0.665
document_4938 730.4990 730.4990 None 0.272 0.660
document_1761 476.2740 476.2740 None 0.237 0.471
document_1349 448.2400 448.2400 None 0.212 0.441
document_4385 700.4890 700.4890 None 0.190 0.620
document_4396 702.4810 702.4810 None 0.180 0.651
document_3742 646.3690 646.3690 None 0.179 0.488
document_5258 752.5140 752.5140 None 0.161 0.497
document_3507 631.3630 631.3630 None 0.156 0.077
document_4151 686.4710 686.4710 None 0.154 0.602
document_27 401.1340 401.1340 None 0.149 0.425
document_4630 712.4890 712.4890 None 0.147 0.678
document_4398 702.4680 702.4680 None 0.144 0.495
document_3933 672.2820 672.2820 None 0.141 0.479
document_4627 712.4890 712.4890 None 0.131 0.669
document_5267 754.5290 754.5290 None 0.124 0.619
document_4383 700.4890 700.4890 None 0.120 0.634
document_4601 710.4350 710.4350 None 0.114 0.554
document_5346 766.5290 766.5290 None 0.112 0.456
document_5144 740.5140 740.5140 None 0.109 0.609
document_2179 500.8350 500.8350 None 0.107 0.125
document_5136 740.5110 740.5110 None 0.104 0.586
document_5143 740.5140 740.5140 None 0.100 0.498
document_5084 738.4580 738.4580 None 0.098 0.131
document_3330 612.3980 612.3980 None 0.095 0.150
document_5166 740.5200 740.5200 None 0.093 0.434
document_5259 752.5140 752.5140 None 0.093 0.439
document_5439 780.5440 780.5440 None 0.089 0.501
document_5066 738.3950 738.3950 None 0.089 0.437
document_5151 740.5140 740.5140 None 0.089 0.478
document_4631 712.4890 712.4890 None 0.087 0.576
document_5138 740.5140 740.5140 None 0.086 0.512
document_4400 702.4680 702.4680 None 0.086 0.441
document_5165 740.5190 740.5190 None 0.085 0.150
document_4629 712.4880 712.4880 None 0.083 0.141
document_4377 700.4850 700.4850 None 0.083 0.499
document_5158 740.5140 740.5140 None 0.081 0.139
document_5338 766.5240 766.5240 None 0.081 0.499
document_2186 502.2110 502.2110 None 0.076 0.428
document_4413 702.8560 702.8560 None 0.076 0.011
document_5154 740.5140 740.5140 None 0.075 0.440
document_4591 710.4430 710.4430 None 0.074 0.149
document_5128 740.5130 740.5130 None 0.073 0.498
document_5153 740.5140 740.5140 None 0.070 0.154
document_5340 766.4820 766.4820 None 0.065 0.553
document_5092 738.3960 738.3960 None 0.065 0.486
document_4595 710.4200 710.4200 None 0.064 0.134
document_5083 738.4390 738.4390 None 0.063 0.145
document_4651 714.5000 714.5000 None 0.063 0.440
document_5053 738.4010 738.4010 None 0.061 0.433
document_1641 468.1560 468.1560 None 0.061 0.427
document_5251 752.4800 752.4800 None 0.058 0.488
document_5113 740.4860 740.4860 None 0.056 0.445
document_5266 754.5290 754.5290 None 0.056 0.497

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.