Mass2Motif: motif_224

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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: Salinispora arenicola subset related Mass2Motif - ?

Short Annotation: Salinispora arenicola subset related Mass2Motif - ?

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 0.9796648476984048. 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_575.4500 0.426
fragment_69.0500 0.138
fragment_576.4500 0.107
fragment_55.0500 0.078
loss_141.0500 0.051
fragment_83.0500 0.045
fragment_121.0500 0.035
fragment_67.0500 0.029
fragment_135.0500 0.027
fragment_265.1500 0.010
fragment_308.2500 0.007
fragment_237.1500 0.006
fragment_109.0500 0.004
fragment_280.1500 0.003
fragment_123.0500 0.002
fragment_339.2500 0.002
fragment_266.1500 0.002
fragment_107.0500 0.002
fragment_289.0500 0.001
fragment_280.2500 0.001
fragment_149.0500 0.001
fragment_186.8500 0.001

Counts of Classyfire Substituent terms

Term name Count in motif Percentage in motif Percentage in experiment Absolute difference
Hydrocarbon derivative 142 100 100 0
Organooxygen compound 117 82.4 95.3 12.9
Carbonyl group 69 48.6 44.0 4.6
Alcohol 51 35.9 14.7 21.3
Organonitrogen compound 43 30.3 54.1 23.8
Organic nitrogen compound 42 29.6 55.6 26.1
Organopnictogen compound 26 18.3 45.2 26.9
Secondary alcohol 19 13.4 7.7 5.7
Organoheterocyclic compound 19 13.4 13.3 0.1
Azacycle 9 6.3 22.6 16.3
Oxacycle 7 4.9 7.9 3.0
Aliphatic acyclic compound 3 2.1 2.9 0.8
Carboxylic acid ester 3 2.1 1.8 0.3
Amine 1 0.7 4.4 3.7
Primary alcohol 1 0.7 0.9 0.2
Benzenoid 1 0.7 18.3 17.6
Polyol 1 0.7 1.6 0.9
Heteroaromatic compound 1 0.7 5.8 5.0
Aromatic heteropolycyclic compound 1 0.7 9.6 8.9

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_4682 716.4150 716.4150 None 0.620 0.815
document_4723 716.4160 716.4160 None 0.599 0.909
document_4705 716.4150 716.4150 None 0.596 0.732
document_4675 716.4260 716.4260 None 0.591 0.919
document_4697 716.4150 716.4150 None 0.564 0.913
document_4721 716.4150 716.4150 None 0.551 0.903
document_4685 716.4150 716.4150 None 0.540 0.695
document_4713 716.4150 716.4150 None 0.516 0.738
document_4714 716.4500 716.4500 None 0.509 0.838
document_4693 716.4150 716.4150 None 0.500 0.779
document_4727 716.4160 716.4160 None 0.488 0.884
document_4678 716.4250 716.4250 None 0.483 0.954
document_4683 716.4150 716.4150 None 0.473 0.744
document_4691 716.4150 716.4150 None 0.467 0.682
document_4725 716.4400 716.4400 None 0.466 0.789
document_4722 716.4150 716.4150 None 0.464 0.702
document_4712 716.4150 716.4150 None 0.460 0.815
document_4681 716.4470 716.4470 None 0.458 0.914
document_4726 716.4160 716.4160 None 0.452 0.752
document_4695 716.4150 716.4150 None 0.450 0.785
document_4696 716.4150 716.4150 None 0.449 0.811
document_4707 716.4150 716.4150 None 0.447 0.917
document_4704 716.4750 716.4750 None 0.444 0.664
document_4716 716.4150 716.4150 None 0.441 0.870
document_4708 716.4150 716.4150 None 0.430 0.798
document_4687 716.4150 716.4150 None 0.417 0.890
document_4698 716.4150 716.4150 None 0.411 0.873
document_4677 716.4320 716.4320 None 0.407 0.835
document_4718 716.4150 716.4150 None 0.405 0.698
document_4690 716.4150 716.4150 None 0.405 0.937
document_4720 716.4150 716.4150 None 0.404 0.682
document_4676 716.4310 716.4310 None 0.402 0.876
document_4674 716.4150 716.4150 None 0.394 0.754
document_4686 716.4150 716.4150 None 0.393 0.893
document_4669 716.4140 716.4140 None 0.384 0.832
document_4689 716.4150 716.4150 None 0.379 0.742
document_4692 716.4150 716.4150 None 0.375 0.795
document_4734 716.4700 716.4700 None 0.372 0.645
document_4735 716.4160 716.4160 None 0.365 0.742
document_4688 716.4150 716.4150 None 0.361 0.779
document_4680 716.4150 716.4150 None 0.359 0.673
document_4729 716.4160 716.4160 None 0.357 0.680
document_4706 716.4150 716.4150 None 0.356 0.701
document_4672 716.4150 716.4150 None 0.355 0.785
document_4684 716.4140 716.4140 None 0.355 0.682
document_4709 716.4150 716.4150 None 0.352 0.663
document_4694 716.4510 716.4510 None 0.350 0.751
document_4699 716.4150 716.4150 None 0.339 0.760
document_4665 716.4150 716.4150 None 0.332 0.867
document_4701 716.4430 716.4430 None 0.323 0.507
document_4710 716.4570 716.4570 None 0.315 0.716
document_4733 716.4340 716.4340 None 0.314 0.626
document_4719 716.4150 716.4150 None 0.308 0.725
document_4728 716.4160 716.4160 None 0.297 0.799
document_4703 716.4150 716.4150 None 0.284 0.705
document_4254 690.4020 690.4020 None 0.275 0.307
document_4671 716.4150 716.4150 None 0.250 0.666
document_4724 716.4160 716.4160 None 0.241 0.513
document_4715 716.4610 716.4610 None 0.228 0.636
document_4673 716.4480 716.4480 None 0.228 0.631
document_4700 716.4670 716.4670 None 0.225 0.720
document_5074 738.3950 738.3950 None 0.217 0.833
document_4666 716.4140 716.4140 None 0.216 0.845
document_5072 738.4050 738.4050 None 0.211 0.897
document_4668 716.4140 716.4140 None 0.197 0.823
document_4621 712.4180 712.4180 None 0.196 0.706
document_5122 740.4350 740.4350 None 0.193 0.288
document_5052 738.4060 738.4060 None 0.190 0.862
document_4604 712.3530 712.3530 None 0.169 0.742
document_5061 738.3950 738.3950 None 0.163 0.710
document_4620 712.4110 712.4110 None 0.162 0.683
document_4935 730.4980 730.4980 None 0.161 0.665
document_4605 712.4060 712.4060 None 0.157 0.659
document_5080 738.3950 738.3950 None 0.156 0.797
document_4732 716.4680 716.4680 None 0.153 0.477
document_4603 712.3600 712.3600 None 0.152 0.692
document_4619 712.4230 712.4230 None 0.150 0.624
document_5091 738.3960 738.3960 None 0.149 0.827
document_5046 738.4030 738.4030 None 0.147 0.827
document_5039 738.0930 738.0930 None 0.145 0.564
document_4745 716.4830 716.4830 None 0.143 0.584
document_5078 738.3960 738.3960 None 0.143 0.666
document_4617 712.4290 712.4290 None 0.140 0.710
document_5056 738.3950 738.3950 None 0.140 0.810
document_4667 716.4150 716.4150 None 0.133 0.661
document_5095 738.4420 738.4420 None 0.129 0.506
document_5068 738.4120 738.4120 None 0.125 0.720
document_4585 712.0540 712.0540 None 0.123 0.574
document_5063 738.4070 738.4070 None 0.122 0.736
document_5057 738.3950 738.3950 None 0.121 0.829
document_5038 738.3850 738.3850 None 0.120 0.787
document_4744 716.4830 716.4830 None 0.120 0.584
document_4594 712.3760 712.3760 None 0.119 0.633
document_5062 738.3950 738.3950 None 0.116 0.631
document_5005 734.3710 734.3710 None 0.116 0.652
document_5058 738.3950 738.3950 None 0.116 0.743
document_5050 738.4060 738.4060 None 0.115 0.455
document_5083 738.4390 738.4390 None 0.115 0.681
document_5084 738.4580 738.4580 None 0.114 0.453
document_5082 738.3950 738.3950 None 0.113 0.302
document_5090 738.3960 738.3960 None 0.112 0.722
document_5017 734.4700 734.4700 None 0.110 0.501
document_5088 738.4170 738.4170 None 0.107 0.306
document_5089 738.3960 738.3960 None 0.105 0.609
document_5047 738.3960 738.3960 None 0.102 0.643
document_4624 712.4700 712.4700 None 0.101 0.770
document_5045 738.4040 738.4040 None 0.101 0.756
document_4607 712.4100 712.4100 None 0.100 0.618
document_4740 716.4830 716.4830 None 0.096 0.722
document_5048 738.3950 738.3950 None 0.094 0.645
document_4743 716.4830 716.4830 None 0.092 0.613
document_5040 738.3680 738.3680 None 0.090 0.663
document_4741 716.4830 716.4830 None 0.090 0.477
document_5042 738.3530 738.3530 None 0.088 0.675
document_5051 738.3980 738.3980 None 0.088 0.663
document_5044 738.3950 738.3950 None 0.084 0.670
document_5004 734.4020 734.4020 None 0.083 0.794
document_4999 734.3780 734.3780 None 0.082 0.655
document_5034 738.2150 738.2150 None 0.081 0.689
document_5065 738.4000 738.4000 None 0.081 0.633
document_4933 730.4980 730.4980 None 0.080 0.578
document_4596 712.1900 712.1900 None 0.078 0.658
document_5066 738.3950 738.3950 None 0.078 0.629
document_5012 734.3810 734.3810 None 0.077 0.500
document_4742 716.4830 716.4830 None 0.071 0.584
document_5006 734.3690 734.3690 None 0.070 0.475
document_5059 738.3950 738.3950 None 0.070 0.411
document_5033 738.3000 738.3000 None 0.070 0.831
document_5009 734.4040 734.4040 None 0.064 0.564
document_5049 738.4150 738.4150 None 0.062 0.223
document_4642 713.3660 713.3660 None 0.062 0.428
document_5093 738.3960 738.3960 None 0.059 0.697
document_5037 738.5770 738.5770 None 0.058 0.333
document_4595 710.4200 710.4200 None 0.058 0.165
document_4739 716.4830 716.4830 None 0.058 0.584
document_5053 738.4010 738.4010 None 0.057 0.675
document_4963 734.3860 734.3860 None 0.056 0.672
document_5001 734.4040 734.4040 None 0.055 0.644
document_5092 738.3960 738.3960 None 0.055 0.197
document_4936 730.4980 730.4980 None 0.052 0.593
document_5000 734.4120 734.4120 None 0.051 0.456
document_5098 738.5040 738.5040 None 0.050 0.460

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.