Mass2Motif: motif_290

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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 0.9448139475119331. 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_166.0500 0.587
fragment_259.1500 0.142
fragment_167.0500 0.017
loss_165.0500 0.013
fragment_391.0500 0.013
fragment_909.4500 0.013
fragment_293.2500 0.013
loss_165.1500 0.012
fragment_144.0500 0.010
fragment_120.0500 0.008
fragment_910.5500 0.007
fragment_90.0500 0.005
loss_99.1500 0.004
fragment_384.0500 0.004
loss_161.7500 0.004
fragment_701.3500 0.004
loss_137.7500 0.003
fragment_296.1500 0.003
loss_164.1500 0.003
fragment_392.1500 0.003
fragment_104.9500 0.003
fragment_366.9500 0.003
fragment_275.1500 0.003
fragment_127.1500 0.002
fragment_451.2500 0.002
fragment_301.2500 0.002
fragment_912.5500 0.002
loss_83.7500 0.002
loss_75.5500 0.002
loss_119.7500 0.002
fragment_345.1500 0.002
fragment_287.1500 0.002
fragment_265.1500 0.002
fragment_170.0500 0.002
loss_173.6500 0.002
loss_74.0500 0.002
fragment_308.1500 0.002
loss_64.5500 0.002
loss_164.2500 0.002
fragment_149.0500 0.002
fragment_336.0500 0.002
fragment_613.3500 0.002
fragment_261.1500 0.002
fragment_771.4500 0.002
fragment_418.6500 0.002
fragment_407.1500 0.002
loss_183.7500 0.001
fragment_121.0500 0.001
fragment_85.8500 0.001
loss_194.3500 0.001
fragment_984.5500 0.001
fragment_232.5500 0.001
fragment_288.8500 0.001
loss_123.1500 0.001
fragment_267.1500 0.001
fragment_388.2500 0.001
fragment_294.2500 0.001
loss_121.6500 0.001
fragment_729.8500 0.001
fragment_422.1500 0.001
fragment_451.1500 0.001
fragment_469.6500 0.001
loss_80.5500 0.001
fragment_654.4500 0.001
loss_198.1500 0.001

Counts of Classyfire Substituent terms

Term name Count in motif Percentage in motif Percentage in experiment Absolute difference
Hydrocarbon derivative 86 100 100 0
Organooxygen compound 83 96.5 95.3 1.2
Organic nitrogen compound 67 77.9 55.6 22.3
Organonitrogen compound 64 74.4 54.1 20.3
Organopnictogen compound 62 72.1 45.2 26.8
Carbonyl group 46 53.5 44.0 9.5
Azacycle 34 39.5 22.6 16.9
Organoheterocyclic compound 13 15.1 13.3 1.8
Amine 13 15.1 4.4 10.7
Carboxamide group 11 12.8 5.5 7.3
Benzenoid 10 11.6 18.3 6.7
Aromatic heteropolycyclic compound 6 7.0 9.6 2.7
Alcohol 4 4.7 14.7 10.0
Oxacycle 4 4.7 7.9 3.3
Heteroaromatic compound 4 4.7 5.8 1.1
Phenol 2 2.3 0.5 1.9
Aliphatic acyclic compound 2 2.3 2.9 0.6
Aromatic homomonocyclic compound 1 1.2 0.1 1.1
1-hydroxy-2-unsubstituted benzenoid 1 1.2 1.3 0.1
Vinylogous acid 1 1.2 0.1 1.1
Primary alcohol 1 1.2 0.9 0.3
Carboxylic acid ester 1 1.2 1.8 0.6
Secondary alcohol 1 1.2 7.7 6.5
Polyol 1 1.2 1.6 0.4
Acetal 1 1.2 1.5 0.3

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_2002 495.2400 495.2400 None 0.804 0.144
document_2003 495.2430 495.2430 None 0.767 0.145
document_2001 495.2400 495.2400 None 0.751 0.144
document_2462 526.8380 526.8380 None 0.726 0.645
document_2280 508.1990 508.1990 None 0.722 0.618
document_1999 495.2410 495.2410 None 0.712 0.142
document_2279 508.2010 508.2010 None 0.673 0.618
document_2267 508.1140 508.1140 None 0.644 0.615
document_2754 556.2920 556.2920 None 0.640 0.786
document_2281 508.2020 508.2020 None 0.640 0.613
document_347 414.8470 414.8470 None 0.508 0.625
document_2175 500.3600 500.3600 None 0.472 0.612
document_1785 478.2330 478.2330 None 0.396 0.621
document_1844 483.2280 483.2280 None 0.387 0.631
document_226 410.2360 410.2360 None 0.385 0.615
document_5463 786.4900 786.4900 None 0.376 0.020
document_2683 550.2220 550.2220 None 0.338 0.596
document_40 401.2320 401.2320 None 0.335 0.143
document_685 424.2590 424.2590 None 0.312 0.618
document_3601 636.9010 636.9010 None 0.312 0.592
document_2266 507.3000 507.3000 None 0.279 0.612
document_1830 482.1840 482.1840 None 0.271 0.596
document_684 424.2440 424.2440 None 0.259 0.598
document_1927 489.2310 489.2310 None 0.245 0.605
document_214 409.3580 409.3580 None 0.231 0.597
document_143 404.2270 404.2270 None 0.206 0.613
document_4564 707.3290 707.3290 None 0.170 0.607
document_388 415.1720 415.1720 None 0.162 0.595
document_799 429.1920 429.1920 None 0.160 0.615
document_1118 437.1520 437.1520 None 0.159 0.142
document_849 429.3180 429.3180 None 0.139 0.587
document_2814 562.8280 562.8280 None 0.129 0.142
document_566 421.2420 421.2420 None 0.126 0.602
document_3241 601.3540 601.3540 None 0.126 0.587
document_1529 461.2590 461.2590 None 0.122 0.588
document_44 401.7300 401.7300 None 0.120 0.597
document_2561 537.2370 537.2370 None 0.116 0.595
document_168 407.9420 407.9420 None 0.108 0.594
document_2559 536.7790 536.7790 None 0.106 0.757
document_1518 460.2190 460.2190 None 0.101 0.729
document_3725 645.3580 645.3580 None 0.100 0.154
document_1112 435.2600 435.2600 None 0.099 0.612
document_425 418.1390 418.1390 None 0.097 0.587
document_1175 441.1180 441.1180 None 0.093 0.618
document_866 431.1650 431.1650 None 0.092 0.587
document_4871 724.9530 724.9530 None 0.091 0.597
document_186 408.4920 408.4920 None 0.088 0.605
document_1453 457.2120 457.2120 None 0.084 0.608
document_1934 489.3060 489.3060 CYTIDINE 5'-DIPHOSPHOCHOLINE 0.083 0.590
document_2937 570.8640 570.8640 None 0.079 0.596
document_4475 702.9380 702.9380 None 0.077 0.599
document_3183 595.3810 595.3810 None 0.074 0.142
document_3187 595.3810 595.3810 None 0.074 0.142
document_2368 516.3360 516.3360 None 0.073 0.587
document_3003 578.3180 578.3180 None 0.071 0.609
document_1239 442.1810 442.1810 None 0.069 0.595
document_3177 595.3790 595.3790 None 0.068 0.142
document_3545 634.4520 634.4520 None 0.068 0.587
document_3139 592.3330 592.3330 None 0.067 0.604
document_1526 461.1600 461.1600 None 0.066 0.610
document_1933 489.3060 489.3060 None 0.065 0.587
document_1983 495.0870 495.0870 None 0.064 0.612
document_2265 507.2840 507.2840 None 0.064 0.597
document_2642 546.1490 546.1490 None 0.064 0.617
document_2190 502.3210 502.3210 None 0.063 0.729
document_1778 477.3070 477.3070 None 0.063 0.605
document_196 408.1960 408.1960 None 0.062 0.585
document_3269 604.3790 604.3790 None 0.061 0.141
document_5049 738.4150 738.4150 None 0.060 0.587
document_1670 469.2440 469.2440 None 0.060 0.610
document_811 429.2420 429.2420 None 0.060 0.587
document_2354 515.2500 515.2500 None 0.058 0.610
document_934 430.9120 430.9120 None 0.057 0.013
document_3193 595.4500 595.4500 None 0.057 0.142
document_3090 588.3090 588.3090 None 0.057 0.728
document_847 429.3180 429.3180 None 0.057 0.586
document_3824 658.9150 658.9150 None 0.056 0.601
document_3085 587.3380 587.3380 None 0.055 0.589
document_1240 442.1810 442.1810 None 0.055 0.597
document_2335 513.2750 513.2750 None 0.054 0.586
document_785 429.1790 429.1790 None 0.054 0.144
document_2015 495.2900 495.2900 None 0.054 0.598
document_5233 746.9650 746.9650 None 0.053 0.587
document_3091 588.3020 588.3020 None 0.053 0.590
document_2540 534.1910 534.1910 None 0.051 0.608
document_2078 498.3260 498.3260 None 0.050 0.590

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.