Mass2Motif: motif_142

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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 0.9832295657851742. 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_146.9500 0.529
fragment_221.0500 0.355
fragment_295.2500 0.012
fragment_204.0500 0.009
fragment_218.9500 0.009
fragment_147.9500 0.008
fragment_210.9500 0.008
fragment_222.0500 0.007
fragment_141.0500 0.006
fragment_247.0500 0.006
fragment_189.1500 0.005
fragment_266.1500 0.005
fragment_241.1500 0.005
loss_155.1500 0.004
loss_199.7500 0.003
loss_170.7500 0.002
fragment_250.4500 0.002
fragment_218.0500 0.002
loss_98.6500 0.001
loss_199.1500 0.001
fragment_318.1500 0.001
loss_103.1500 0.001
fragment_113.1500 0.001
fragment_90.9500 0.001

Counts of Classyfire Substituent terms

Term name Count in motif Percentage in motif Percentage in experiment Absolute difference
Hydrocarbon derivative 137 100 100 0
Organooxygen compound 132 96.4 95.3 1.0
Organic nitrogen compound 65 47.4 55.6 8.2
Organonitrogen compound 62 45.3 54.1 8.9
Benzenoid 53 38.7 18.3 20.3
Organopnictogen compound 38 27.7 45.2 17.5
Heteroaromatic compound 33 24.1 5.8 18.3
Aromatic heteropolycyclic compound 30 21.9 9.6 12.3
Azacycle 23 16.8 22.6 5.8
Carbonyl group 23 16.8 44.0 27.2
Oxacycle 2 1.5 7.9 6.4
Organoheterocyclic compound 2 1.5 13.3 11.9
Amine 1 0.7 4.4 3.6
Alcohol 1 0.7 14.7 13.9
Carboxylic acid ester 1 0.7 1.8 1.1
Oxane 1 0.7 1.9 1.2
Secondary alcohol 1 0.7 7.7 7.0

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_588 421.2320 421.2320 None 0.813 0.897
document_445 420.8080 420.8080 None 0.799 0.928
document_557 421.2310 421.2310 None 0.741 0.916
document_615 421.2330 421.2330 None 0.713 0.886
document_620 421.2320 421.2320 None 0.676 0.893
document_641 421.2340 421.2340 None 0.603 0.901
document_614 421.2330 421.2330 None 0.532 0.897
document_617 421.2330 421.2330 None 0.523 0.877
document_592 421.2320 421.2320 None 0.522 0.906
document_542 421.2300 421.2300 None 0.490 0.547
document_1355 449.1910 449.1910 None 0.475 0.368
document_500 419.2770 419.2770 None 0.454 0.890
document_631 421.2360 421.2360 None 0.406 0.893
document_602 421.2320 421.2320 None 0.371 0.887
document_559 421.2330 421.2330 None 0.360 0.895
document_549 421.2310 421.2310 None 0.359 0.558
document_577 421.2320 421.2320 None 0.339 0.888
document_567 421.2320 421.2320 None 0.337 0.881
document_440 419.7450 419.7450 None 0.313 0.891
document_560 421.2310 421.2310 None 0.306 0.907
document_628 421.2370 421.2370 None 0.286 0.891
document_646 421.2370 421.2370 None 0.278 0.880
document_587 421.2320 421.2320 None 0.272 0.897
document_561 421.2320 421.2320 None 0.267 0.903
document_640 421.2370 421.2370 None 0.258 0.908
document_540 421.2320 421.2320 None 0.257 0.885
document_562 421.2310 421.2310 None 0.249 0.890
document_1130 437.2300 437.2300 None 0.247 0.882
document_632 421.2330 421.2330 None 0.246 0.880
document_548 421.2320 421.2320 None 0.240 0.880
document_598 421.2320 421.2320 None 0.239 0.883
document_498 419.2780 419.2780 None 0.231 0.529
document_565 421.2330 421.2330 None 0.228 0.904
document_626 421.2340 421.2340 None 0.227 0.886
document_610 421.2330 421.2330 None 0.225 0.888
document_496 420.1280 420.1280 None 0.222 0.884
document_1084 435.2110 435.2110 None 0.220 0.876
document_616 421.2340 421.2340 None 0.217 0.904
document_627 421.2330 421.2330 None 0.216 0.889
document_563 421.2310 421.2310 None 0.215 0.912
document_553 421.2320 421.2320 None 0.212 0.909
document_622 421.2320 421.2320 None 0.209 0.886
document_502 420.3750 420.3750 None 0.209 0.885
document_568 421.2330 421.2330 None 0.208 0.885
document_608 421.2320 421.2320 None 0.203 0.888
document_438 418.7540 418.7540 None 0.200 0.530
document_601 421.2330 421.2330 None 0.199 0.897
document_582 421.2340 421.2340 None 0.199 0.882
document_585 421.2320 421.2320 None 0.196 0.883
document_487 420.0190 420.0190 None 0.192 0.543
document_5565 819.4680 819.4680 None 0.191 0.903
document_541 421.2290 421.2290 None 0.191 0.893
document_607 421.2320 421.2320 None 0.186 0.901
document_571 421.2320 421.2320 None 0.183 0.887
document_495 421.2180 421.2180 None 0.182 0.909
document_489 419.2770 419.2770 None 0.182 0.530
document_606 421.2330 421.2330 None 0.180 0.885
document_545 421.2310 421.2310 None 0.179 0.355
document_630 421.2330 421.2330 None 0.178 0.887
document_647 421.2340 421.2340 None 0.178 0.885
document_639 421.2340 421.2340 None 0.176 0.885
document_629 421.2360 421.2360 None 0.175 0.889
document_554 421.2320 421.2320 None 0.175 0.914
document_564 421.2320 421.2320 None 0.174 0.895
document_555 421.2320 421.2320 None 0.173 0.916
document_590 421.2330 421.2330 None 0.167 0.878
document_612 421.2320 421.2320 None 0.166 0.879
document_575 421.2330 421.2330 None 0.166 0.893
document_600 421.2330 421.2330 None 0.165 0.881
document_579 421.2320 421.2320 None 0.164 0.896
document_611 421.2330 421.2330 None 0.164 0.887
document_572 421.2320 421.2320 None 0.163 0.885
document_432 421.0950 421.0950 None 0.162 0.919
document_558 421.2320 421.2320 None 0.159 0.908
document_556 421.2320 421.2320 None 0.158 0.885
document_596 421.2320 421.2320 None 0.155 0.899
document_551 421.2340 421.2340 None 0.154 0.908
document_828 429.2470 429.2470 None 0.154 0.355
document_1131 437.2300 437.2300 None 0.153 0.880
document_578 421.2320 421.2320 None 0.149 0.881
document_475 419.2750 419.2750 None 0.146 0.530
document_521 420.6840 420.6840 None 0.145 0.539
document_576 421.2320 421.2320 None 0.145 0.885
document_3306 610.0140 610.0140 None 0.144 0.362
document_623 421.2330 421.2330 None 0.141 0.898
document_484 419.2760 419.2760 None 0.140 0.530
document_429 419.2110 419.2110 None 0.136 0.882
document_656 421.2360 421.2360 None 0.136 0.888
document_517 420.2340 420.2340 None 0.134 0.530
document_1108 435.2120 435.2120 None 0.132 0.527
document_519 420.9840 420.9840 None 0.131 0.892
document_1478 457.3300 457.3300 None 0.127 0.529
document_544 421.2320 421.2320 None 0.125 0.891
document_604 421.2320 421.2320 None 0.125 0.894
document_468 419.2760 419.2760 None 0.123 0.893
document_3520 632.3090 632.3090 None 0.123 0.355
document_583 421.2320 421.2320 None 0.123 0.879
document_488 419.2760 419.2760 None 0.122 0.900
document_613 421.2330 421.2330 None 0.117 0.878
document_597 421.2320 421.2320 None 0.114 0.907
document_573 421.2320 421.2320 None 0.112 0.893
document_569 421.2380 421.2380 None 0.111 0.889
document_589 421.2330 421.2330 None 0.107 0.885
document_3312 610.6270 610.6270 None 0.105 0.362
document_603 421.2330 421.2330 None 0.105 0.887
document_570 421.2350 421.2350 None 0.102 0.905
document_810 429.2440 429.2440 None 0.100 0.355
document_441 419.2150 419.2150 None 0.099 0.901
document_430 419.0270 419.0270 None 0.098 0.884
document_652 421.2350 421.2350 None 0.098 0.889
document_637 421.2340 421.2340 None 0.098 0.887
document_490 419.2760 419.2760 None 0.097 0.530
document_605 421.2340 421.2340 None 0.097 0.882
document_550 421.2310 421.2310 None 0.089 0.530
document_494 419.2770 419.2770 None 0.088 0.529
document_509 419.3140 419.3140 None 0.087 0.529
document_3286 610.0590 610.0590 None 0.086 0.362
document_581 421.2320 421.2320 None 0.083 0.881
document_1104 435.2120 435.2120 None 0.080 0.884
document_2807 563.1670 563.1670 None 0.079 0.355
document_504 420.1530 420.1530 None 0.078 0.529
document_829 429.2460 429.2460 None 0.075 0.355
document_1078 435.2110 435.2110 None 0.074 0.884
document_1125 437.2230 437.2230 None 0.072 0.525
document_417 417.2120 417.2120 None 0.071 0.892
document_624 421.2330 421.2330 None 0.071 0.529
document_157 405.9570 405.9570 None 0.070 0.355
document_2385 518.3200 518.3200 None 0.068 0.529
document_3307 609.6040 609.6040 None 0.063 0.355
document_4115 684.0980 684.0980 None 0.063 0.361
document_449 419.3770 419.3770 None 0.062 0.885
document_2453 527.6210 527.6210 None 0.062 0.529
document_1081 435.2110 435.2110 None 0.060 0.882
document_431 419.3550 419.3550 None 0.056 0.883
document_903 430.7190 430.7190 None 0.055 0.354
document_454 418.3920 418.3920 None 0.054 0.529
document_805 429.2430 429.2430 None 0.052 0.356

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.