Mass2Motif: motif_169

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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 0.966424205185613. 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_164.0500 0.513
loss_136.9500 0.096
fragment_120.9500 0.088
fragment_599.4500 0.048
loss_141.0500 0.041
fragment_600.5500 0.027
loss_162.9500 0.021
loss_161.9500 0.020
loss_140.0500 0.017
fragment_575.5500 0.007
fragment_669.4500 0.006
fragment_441.2500 0.006
fragment_571.4500 0.006
fragment_639.5500 0.005
fragment_574.4500 0.005
fragment_145.9500 0.004
fragment_573.4500 0.004
fragment_415.2500 0.004
fragment_601.5500 0.004
loss_160.9500 0.004
fragment_95.0500 0.003
fragment_165.0500 0.003
fragment_709.4500 0.003
loss_135.0500 0.003
fragment_671.4500 0.003
fragment_461.6500 0.002
loss_159.0500 0.002
fragment_57.0500 0.002
fragment_572.4500 0.002
fragment_600.4500 0.002
fragment_675.4500 0.002
fragment_737.5500 0.002
fragment_162.4500 0.002
loss_163.0500 0.002
fragment_710.4500 0.001
fragment_640.5500 0.001
fragment_558.3500 0.001
loss_156.1500 0.001
fragment_561.6500 0.001

Counts of Classyfire Substituent terms

Term name Count in motif Percentage in motif Percentage in experiment Absolute difference
Hydrocarbon derivative 111 100 100 0
Organooxygen compound 97 87.4 95.3 7.9
Carbonyl group 87 78.4 44.0 34.3
Organic nitrogen compound 79 71.2 55.6 15.5
Organonitrogen compound 76 68.5 54.1 14.4
Organopnictogen compound 61 55.0 45.2 9.7
Alcohol 27 24.3 14.7 9.7
Organoheterocyclic compound 23 20.7 13.3 7.4
Oxacycle 18 16.2 7.9 8.3
Azacycle 17 15.3 22.6 7.3
Secondary alcohol 15 13.5 7.7 5.8
Benzenoid 15 13.5 18.3 4.8
Aromatic heteropolycyclic compound 5 4.5 9.6 5.1
Oxane 3 2.7 1.9 0.8
Amine 3 2.7 4.4 1.7
Polyol 2 1.8 1.6 0.2
Carboxylic acid ester 2 1.8 1.8 0.0
Acetal 2 1.8 1.5 0.4
O-glycosyl compound 1 0.9 1.2 0.3
1-hydroxy-2-unsubstituted benzenoid 1 0.9 1.3 0.4
1-hydroxy-4-unsubstituted benzenoid 1 0.9 0.2 0.7
Aliphatic acyclic compound 1 0.9 2.9 2.0
Heteroaromatic compound 1 0.9 5.8 4.8

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_5159 740.5160 740.5160 None 0.761 0.716
document_5439 780.5440 780.5440 None 0.721 0.770
document_4630 712.4890 712.4890 None 0.710 0.796
document_5160 740.5190 740.5190 None 0.699 0.660
document_4627 712.4890 712.4890 None 0.691 0.792
document_5145 740.5140 740.5140 None 0.680 0.860
document_4631 712.4890 712.4890 None 0.674 0.785
document_5156 740.5160 740.5160 None 0.673 0.725
document_5142 740.5140 740.5140 None 0.659 0.863
document_4651 714.5000 714.5000 None 0.650 0.631
document_4653 714.5020 714.5020 None 0.642 0.649
document_5147 740.5160 740.5160 None 0.637 0.758
document_5158 740.5140 740.5140 None 0.633 0.737
document_5440 780.5440 780.5440 None 0.622 0.567
document_5139 740.5140 740.5140 None 0.621 0.807
document_5136 740.5110 740.5110 None 0.617 0.865
document_5154 740.5140 740.5140 None 0.617 0.832
document_5155 740.5140 740.5140 None 0.616 0.751
document_4635 714.4920 714.4920 None 0.599 0.819
document_5144 740.5140 740.5140 None 0.597 0.862
document_5146 740.5140 740.5140 None 0.593 0.823
document_4652 714.5000 714.5000 None 0.592 0.816
document_5141 740.5140 740.5140 None 0.588 0.643
document_5138 740.5140 740.5140 None 0.585 0.888
document_5030 736.6070 736.6070 None 0.568 0.666
document_5157 740.5140 740.5140 None 0.562 0.807
document_5150 740.5140 740.5140 None 0.539 0.833
document_5258 752.5140 752.5140 None 0.536 0.664
document_5266 754.5290 754.5290 None 0.517 0.800
document_5348 766.5290 766.5290 None 0.509 0.579
document_5163 740.5190 740.5190 None 0.503 0.718
document_5149 740.5140 740.5140 None 0.492 0.750
document_5143 740.5140 740.5140 None 0.481 0.832
document_5128 740.5130 740.5130 None 0.471 0.837
document_5164 740.5190 740.5190 None 0.467 0.714
document_5152 740.5140 740.5140 None 0.452 0.692
document_5140 740.5140 740.5140 None 0.432 0.806
document_5153 740.5140 740.5140 None 0.431 0.786
document_5151 740.5140 740.5140 None 0.429 0.815
document_5267 754.5290 754.5290 None 0.413 0.673
document_5113 740.4860 740.4860 None 0.391 0.798
document_4628 712.4880 712.4880 None 0.390 0.754
document_5338 766.5240 766.5240 None 0.376 0.712
document_5259 752.5140 752.5140 None 0.363 0.625
document_4151 686.4710 686.4710 None 0.359 0.753
document_5148 740.5150 740.5150 None 0.359 0.769
document_5320 762.4700 762.4700 None 0.343 0.710
document_4383 700.4890 700.4890 None 0.341 0.787
document_4881 726.5000 726.5000 None 0.331 0.810
document_5132 740.4820 740.4820 None 0.329 0.702
document_5242 748.4810 748.4810 None 0.320 0.699
document_5031 736.4810 736.4810 None 0.316 0.659
document_5162 740.5190 740.5190 None 0.309 0.711
document_5268 754.5290 754.5290 None 0.305 0.755
document_3330 612.3980 612.3980 None 0.298 0.655
document_1119 437.1920 437.1920 None 0.298 0.516
document_5346 766.5290 766.5290 None 0.297 0.661
document_4377 700.4850 700.4850 None 0.295 0.803
document_5129 740.4900 740.4900 None 0.290 0.689
document_5166 740.5200 740.5200 None 0.281 0.667
document_5325 762.4960 762.4960 None 0.280 0.607
document_4592 710.4650 710.4650 None 0.265 0.713
document_5098 738.5040 738.5040 None 0.265 0.624
document_4384 700.4870 700.4870 None 0.222 0.659
document_4608 710.4730 710.4730 None 0.218 0.672
document_3329 612.3980 612.3980 None 0.215 0.800
document_4606 710.4740 710.4740 None 0.203 0.605
document_4557 706.4490 706.4490 None 0.199 0.613
document_4147 686.1080 686.1080 None 0.183 0.604
document_1542 462.2590 462.2590 None 0.161 0.662
document_4641 713.3660 713.3660 None 0.157 0.600
document_4629 712.4880 712.4880 None 0.155 0.618
document_4602 710.4560 710.4560 None 0.154 0.671
document_1726 473.3430 473.3430 None 0.152 0.513
document_4639 713.3640 713.3640 None 0.151 0.525
document_5323 762.4960 762.4960 None 0.146 0.513
document_5324 762.4960 762.4960 None 0.143 0.609
document_4740 716.4830 716.4830 None 0.137 0.762
document_1760 476.2750 476.2750 None 0.130 0.697
document_4741 716.4830 716.4830 None 0.128 0.555
document_3742 646.3690 646.3690 None 0.126 0.571
document_5238 748.4600 748.4600 None 0.123 0.619
document_4385 700.4890 700.4890 None 0.110 0.602
document_4886 726.5030 726.5030 None 0.106 0.601
document_1762 476.2750 476.2750 None 0.104 0.535
document_4897 727.3760 727.3760 None 0.100 0.606
document_277 413.2100 413.2100 None 0.096 0.513
document_5015 734.4700 734.4700 None 0.095 0.605
document_5161 740.5190 740.5190 None 0.094 0.601
document_1743 475.2870 475.2870 None 0.088 0.513
document_4116 683.4110 683.4110 None 0.080 0.516
document_4376 702.0500 702.0500 None 0.074 0.603
document_1541 462.2600 462.2600 None 0.074 0.673
document_3490 629.3460 629.3460 None 0.072 0.513
document_4108 683.3550 683.3550 None 0.071 0.513
document_4634 713.2960 713.2960 None 0.071 0.603
document_5330 763.5060 763.5060 None 0.070 0.515
document_2918 568.8530 568.8530 None 0.070 0.523
document_4111 683.3560 683.3560 None 0.070 0.513
document_2678 549.2820 549.2820 Antimycin A1 0.068 0.516
document_2789 560.2900 560.2900 None 0.066 0.522
document_1377 451.1210 451.1210 None 0.063 0.513
document_2637 545.3770 545.3770 None 0.063 0.513
document_4742 716.4830 716.4830 None 0.058 0.758
document_5269 754.9710 754.9710 None 0.057 0.600
document_2715 555.9630 555.9630 None 0.057 0.520
document_4937 730.5010 730.5010 None 0.055 0.662
document_1952 490.2900 490.2900 None 0.054 0.670
document_1002 431.2180 431.2180 None 0.053 0.513
document_4642 713.3660 713.3660 None 0.051 0.517
document_2720 556.5570 556.5570 None 0.051 0.513

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.