Mass2Motif: motif_112

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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 0.9618513902622103. 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_201.1500 0.444
fragment_187.1500 0.263
fragment_387.2500 0.066
fragment_202.1500 0.031
fragment_305.2500 0.020
fragment_401.2500 0.015
fragment_188.1500 0.012
fragment_519.3500 0.010
loss_199.8500 0.010
loss_198.8500 0.010
fragment_165.1500 0.009
loss_118.1500 0.008
fragment_385.2500 0.007
fragment_388.2500 0.007
loss_185.8500 0.007
loss_184.8500 0.005
fragment_102.0500 0.005
fragment_287.1500 0.004
fragment_301.1500 0.004
fragment_402.2500 0.003
fragment_306.2500 0.003
fragment_278.1500 0.002
fragment_520.3500 0.002
fragment_100.0500 0.002
fragment_386.2500 0.002
fragment_912.5500 0.002
loss_185.6500 0.001
fragment_288.9500 0.001
fragment_169.0500 0.001
loss_114.7500 0.001
fragment_87.2500 0.001
loss_197.8500 0.001
fragment_184.1500 0.001
fragment_642.8500 0.001

Counts of Classyfire Substituent terms

Term name Count in motif Percentage in motif Percentage in experiment Absolute difference
Hydrocarbon derivative 123 100 100 0
Organooxygen compound 119 96.7 95.3 1.4
Organic nitrogen compound 100 81.3 55.6 25.7
Organonitrogen compound 100 81.3 54.1 27.2
Organopnictogen compound 87 70.7 45.2 25.5
Carbonyl group 75 61.0 44.0 16.9
Azacycle 44 35.8 22.6 13.2
Amine 21 17.1 4.4 12.7
Organoheterocyclic compound 18 14.6 13.3 1.3
Carboxamide group 15 12.2 5.5 6.7
Benzenoid 10 8.1 18.3 10.2
Aromatic heteropolycyclic compound 9 7.3 9.6 2.3
Alcohol 6 4.9 14.7 9.8
Heteroaromatic compound 4 3.3 5.8 2.5
Oxacycle 4 3.3 7.9 4.7
Aliphatic acyclic compound 2 1.6 2.9 1.3
Secondary alcohol 2 1.6 7.7 6.1
1-hydroxy-2-unsubstituted benzenoid 1 0.8 1.3 0.5
Primary alcohol 1 0.8 0.9 0.0

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_3067 587.0790 587.0790 MLS000863563-01!1,11,22-trihydroxy-1,6,11,16,22,27-hexazacyclodotriacontane-2,5,12,15,23,26-hexone 0.883 0.899
document_3068 586.0960 586.0960 MLS000863563-01!1,11,22-trihydroxy-1,6,11,16,22,27-hexazacyclodotriacontane-2,5,12,15,23,26-hexone 0.847 0.874
document_2947 573.0350 573.0350 None 0.836 0.866
document_3085 587.3380 587.3380 None 0.793 0.831
document_3444 623.3630 623.3630 None 0.727 0.763
document_2440 528.8510 528.8510 None 0.632 0.284
document_2973 575.3740 575.3740 None 0.508 0.777
document_1818 481.2960 481.2960 None 0.479 0.506
document_1152 437.2740 437.2740 None 0.477 0.490
document_2634 546.9900 546.9900 None 0.412 0.781
document_1529 461.2590 461.2590 None 0.408 0.482
document_5290 757.5850 757.5850 None 0.399 0.507
document_3415 619.3630 619.3630 None 0.386 0.522
document_1274 443.2480 443.2480 None 0.370 0.482
document_3605 637.3890 637.3890 None 0.350 0.509
document_3492 629.3450 629.3450 None 0.323 0.354
document_1506 461.1240 461.1240 None 0.322 0.494
document_3241 601.3540 601.3540 None 0.318 0.445
document_3234 601.3560 601.3560 Desferrioxamine E 0.318 0.512
document_3403 617.3850 617.3850 None 0.306 0.475
document_3957 675.3540 675.3540 None 0.281 0.275
document_100 403.1950 403.1950 None 0.276 0.487
document_2798 561.3020 561.3020 None 0.275 0.720
document_3 401.0290 401.0290 None 0.266 0.483
document_3089 588.3080 588.3080 None 0.263 0.274
document_3069 585.3600 585.3600 None 0.261 0.471
document_3590 638.2850 638.2850 None 0.258 0.275
document_3239 601.3530 601.3530 Desferrioxamine E 0.257 0.508
document_3240 601.3550 601.3550 Desferrioxamine E 0.255 0.493
document_419 417.2370 417.2370 None 0.250 0.263
document_1312 444.2500 444.2500 None 0.246 0.708
document_2662 547.3430 547.3430 None 0.236 0.808
document_3074 588.2730 588.2730 None 0.232 0.341
document_1046 433.2620 433.2620 None 0.231 0.708
document_3618 638.3120 638.3120 None 0.227 0.275
document_1165 439.2890 439.2890 None 0.227 0.263
document_2389 519.3140 519.3140 None 0.226 0.467
document_3261 603.3720 603.3720 None 0.224 0.495
document_3616 638.3140 638.3140 None 0.221 0.707
document_2198 503.3220 503.3220 None 0.211 0.572
document_3620 638.5830 638.5830 None 0.208 0.264
document_3082 587.8560 587.8560 None 0.205 0.263
document_3065 585.3230 585.3230 None 0.205 0.275
document_1637 467.3230 467.3230 None 0.203 0.275
document_3617 638.3150 638.3150 None 0.200 0.275
document_4906 727.4000 727.4000 None 0.198 0.265
document_3252 603.3680 603.3680 None 0.198 0.505
document_3218 599.3370 599.3370 None 0.190 0.504
document_2959 573.3200 573.3200 None 0.190 0.504
document_1275 443.2700 443.2700 None 0.180 0.077
document_1697 472.2390 472.2390 None 0.170 0.263
document_1237 443.2630 443.2630 None 0.164 0.077
document_3527 633.3780 633.3780 None 0.164 0.496
document_3441 622.3440 622.3440 None 0.163 0.263
document_2536 533.3320 533.3320 None 0.159 0.444
document_3619 638.3120 638.3120 None 0.159 0.267
document_437 418.2650 418.2650 None 0.155 0.455
document_3086 588.6870 588.6870 None 0.150 0.787
document_2006 495.2790 495.2790 None 0.148 0.444
document_2368 516.3360 516.3360 None 0.141 0.493
document_3384 615.3620 615.3620 None 0.140 0.475
document_2647 546.4080 546.4080 None 0.139 0.073
document_2018 496.2630 496.2630 None 0.134 0.263
document_2779 558.3840 558.3840 None 0.132 0.504
document_129 403.2540 403.2540 None 0.127 0.263
document_1983 495.0870 495.0870 None 0.124 0.448
document_2384 518.3140 518.3140 None 0.123 0.451
document_1019 431.2510 431.2510 None 0.119 0.263
document_2190 502.3210 502.3210 None 0.112 0.516
document_79 401.2730 401.2730 None 0.110 0.451
document_29 401.1930 401.1930 None 0.104 0.444
document_1608 465.2380 465.2380 None 0.104 0.448
document_3673 639.4070 639.4070 None 0.102 0.444
document_4058 679.3990 679.3990 None 0.101 0.495
document_3440 622.3220 622.3220 None 0.100 0.444
document_3092 588.3600 588.3600 None 0.095 0.275
document_2971 575.3380 575.3380 None 0.095 0.446
document_5540 810.5560 810.5560 None 0.094 0.444
document_403 415.8210 415.8210 None 0.091 0.444
document_1510 459.3180 459.3180 None 0.090 0.263
document_3402 617.3460 617.3460 None 0.090 0.463
document_3705 643.3620 643.3620 None 0.087 0.479
document_3507 631.3630 631.3630 None 0.086 0.480
document_1458 457.2650 457.2650 None 0.081 0.446
document_1508 459.2800 459.2800 None 0.078 0.449
document_2264 507.2970 507.2970 None 0.076 0.444
document_1967 491.7910 491.7910 None 0.076 0.263
document_3480 628.2990 628.2990 None 0.076 0.475
document_4918 727.4600 727.4600 None 0.076 0.066
document_1296 443.3310 443.3310 None 0.074 0.449
document_5459 785.3090 785.3090 None 0.073 0.066
document_306 413.2330 413.2330 None 0.072 0.263
document_275 413.2110 413.2110 None 0.072 0.267
document_1324 445.3030 445.3030 None 0.069 0.446
document_4132 683.4690 683.4690 None 0.067 0.263
document_1505 459.4010 459.4010 None 0.067 0.444
document_165 405.7500 405.7500 None 0.067 0.451
document_2162 499.2890 499.2890 None 0.066 0.263
document_749 428.4680 428.4680 None 0.066 0.444
document_4954 731.3110 731.3110 None 0.065 0.444
document_374 413.3770 413.3770 None 0.065 0.444
document_2542 534.2580 534.2580 None 0.064 0.471
document_3433 621.8800 621.8800 None 0.064 0.263
document_38 401.2230 401.2230 None 0.063 0.444
document_2646 546.2990 546.2990 None 0.063 0.449
document_3407 618.3310 618.3310 None 0.061 0.455
document_1528 461.2590 461.2590 None 0.061 0.444
document_233 411.1660 411.1660 None 0.059 0.444
document_390 416.9680 416.9680 None 0.059 0.443
document_4908 727.4010 727.4010 None 0.058 0.275
document_2950 572.2930 572.2930 None 0.058 0.263
document_315 413.2370 413.2370 None 0.058 0.446
document_5179 743.5690 743.5690 None 0.056 0.483
document_2633 545.3620 545.3620 None 0.056 0.486
document_3411 619.2830 619.2830 None 0.055 0.261
document_836 429.9970 429.9970 None 0.054 0.449
document_1321 445.2710 445.2710 None 0.054 0.263
document_4126 683.4370 683.4370 None 0.053 0.444
document_2648 546.2930 546.2930 None 0.053 0.444
document_1689 471.2820 471.2820 None 0.052 0.444
document_1180 440.4280 440.4280 None 0.051 0.078
document_1287 443.3250 443.3250 None 0.051 0.444
document_2266 507.3000 507.3000 None 0.051 0.066

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.