Mass2Motif: motif_99

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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 related substructure [109, 95, 55]

Short Annotation: Salinispora arenicola related substructure [109, 95, 55]

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 0.9701211299254723. 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_109.0500 0.646
fragment_149.1500 0.055
loss_53.0500 0.027
fragment_55.0500 0.026
fragment_122.0500 0.020
loss_52.0500 0.019
fragment_955.3500 0.012
fragment_384.3500 0.012
fragment_874.2500 0.012
fragment_95.0500 0.012
fragment_161.1500 0.012
fragment_956.3500 0.012
fragment_385.3500 0.009
fragment_151.1500 0.009
loss_70.0500 0.009
fragment_875.2500 0.008
fragment_124.1500 0.008
fragment_715.4500 0.007
fragment_111.1500 0.007
fragment_53.0500 0.005
fragment_856.2500 0.005
fragment_107.9500 0.003
fragment_957.4500 0.003
fragment_252.9500 0.003
fragment_339.3500 0.003
fragment_69.0500 0.003
fragment_838.2500 0.002
fragment_179.1500 0.002
loss_155.2500 0.002
fragment_857.2500 0.002
fragment_224.0500 0.002
fragment_164.8500 0.002
fragment_310.8500 0.002
fragment_226.1500 0.001
loss_51.0500 0.001
fragment_697.3500 0.001
fragment_524.0500 0.001
fragment_389.1500 0.001
fragment_222.8500 0.001

Counts of Classyfire Substituent terms

Term name Count in motif Percentage in motif Percentage in experiment Absolute difference
Hydrocarbon derivative 105 100 100 0
Organooxygen compound 98 93.3 95.3 2.0
Carbonyl group 45 42.9 44.0 1.2
Alcohol 24 22.9 14.7 8.2
Organonitrogen compound 19 18.1 54.1 36.0
Organic nitrogen compound 16 15.2 55.6 40.4
Organopnictogen compound 12 11.4 45.2 33.8
Oxacycle 7 6.7 7.9 1.2
Secondary alcohol 6 5.7 7.7 2.0
Aliphatic acyclic compound 6 5.7 2.9 2.8
Organoheterocyclic compound 4 3.8 13.3 9.5
Benzenoid 3 2.9 18.3 15.5
Carboxylic acid ester 2 1.9 1.8 0.1
Primary alcohol 1 1.0 0.9 0.1
Aromatic heteropolycyclic compound 1 1.0 9.6 8.7
1-hydroxy-2-unsubstituted benzenoid 1 1.0 1.3 0.3
Aliphatic homopolycyclic compound 1 1.0 0.0 0.9

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_5927 1421.5940 1421.5940 None 0.839 0.028
document_1153 437.3730 437.3730 None 0.655 0.099
document_3211 598.8280 598.8280 None 0.553 0.719
document_5734 892.2980 892.2980 None 0.548 0.075
document_5462 786.4570 786.4570 None 0.477 0.086
document_4520 704.4700 704.4700 None 0.444 0.701
document_5135 740.4600 740.4600 None 0.384 0.681
document_4824 718.5370 718.5370 None 0.326 0.659
document_75 401.2590 401.2590 Massbank:FFF00078 Stigmastanol 0.264 0.712
document_1394 452.4250 452.4250 None 0.229 0.062
document_4279 690.5070 690.5070 None 0.228 0.671
document_3537 634.3070 634.3070 None 0.223 0.675
document_3430 622.0210 622.0210 None 0.192 0.677
document_3924 670.2300 670.2300 None 0.177 0.657
document_1396 452.4250 452.4250 None 0.165 0.101
document_3432 621.9570 621.9570 None 0.162 0.700
document_5035 737.9450 737.9450 None 0.160 0.671
document_2685 550.2990 550.2990 None 0.154 0.646
document_4222 690.4020 690.4020 None 0.135 0.658
document_5207 744.4430 744.4430 None 0.133 0.652
document_4532 704.5220 704.5220 None 0.127 0.652
document_4670 716.8370 716.8370 None 0.127 0.657
document_4694 716.4510 716.4510 None 0.119 0.670
document_4695 716.4150 716.4150 None 0.117 0.669
document_2431 524.1530 524.1530 None 0.114 0.660
document_3589 638.1450 638.1450 None 0.113 0.659
document_5195 744.4430 744.4430 None 0.112 0.677
document_5208 744.4430 744.4430 None 0.111 0.677
document_4510 704.4150 704.4150 None 0.106 0.668
document_2933 570.3630 570.3630 None 0.105 0.648
document_4839 720.5540 720.5540 None 0.104 0.652
document_4515 704.4150 704.4150 None 0.103 0.682
document_5064 738.3950 738.3950 None 0.102 0.658
document_4622 712.4170 712.4170 None 0.101 0.645
document_4658 715.4210 715.4210 None 0.099 0.057
document_4784 718.4920 718.4920 None 0.098 0.697
document_1554 463.2450 463.2450 None 0.097 0.657
document_2004 495.2690 495.2690 None 0.096 0.660
document_1654 468.3690 468.3690 None 0.095 0.658
document_4680 716.4150 716.4150 None 0.093 0.667
document_319 413.2340 413.2340 None 0.092 0.646
document_1383 451.2100 451.2100 None 0.091 0.054
document_4253 690.4020 690.4020 None 0.091 0.679
document_5039 738.0930 738.0930 None 0.089 0.656
document_4227 690.4010 690.4010 None 0.088 0.668
document_4233 690.4080 690.4080 None 0.088 0.683
document_4683 716.4150 716.4150 None 0.088 0.665
document_4517 705.0320 705.0320 None 0.085 0.660
document_4692 716.4150 716.4150 None 0.085 0.657
document_4710 716.4570 716.4570 None 0.083 0.686
document_4599 710.4140 710.4140 None 0.082 0.646
document_5014 734.4260 734.4260 None 0.079 0.643
document_4186 689.8020 689.8020 None 0.077 0.683
document_4730 716.4740 716.4740 None 0.077 0.674
document_5591 819.5000 819.5000 None 0.077 0.644
document_4229 690.4010 690.4010 None 0.077 0.676
document_4223 690.4170 690.4170 None 0.076 0.650
document_4228 690.4010 690.4010 None 0.075 0.652
document_4243 690.4440 690.4440 None 0.075 0.667
document_4671 716.4150 716.4150 None 0.074 0.675
document_4268 690.4490 690.4490 None 0.074 0.712
document_5182 744.4480 744.4480 None 0.074 0.676
document_5098 738.5040 738.5040 None 0.073 0.654
document_5093 738.3960 738.3960 None 0.072 0.665
document_2278 507.4930 507.4930 None 0.072 0.674
document_4218 690.4010 690.4010 None 0.071 0.057
document_5010 734.3820 734.3820 None 0.071 0.659
document_5191 744.4950 744.4950 None 0.070 0.657
document_3859 663.4620 663.4620 None 0.070 0.648
document_3433 621.8800 621.8800 None 0.069 0.646
document_1890 486.2840 486.2840 None 0.069 0.645
document_2747 555.2920 555.2920 None 0.067 0.646
document_4726 716.4160 716.4160 None 0.067 0.673
document_5186 744.4430 744.4430 None 0.066 0.674
document_2045 497.3020 497.3020 None 0.066 0.691
document_3964 676.2690 676.2690 None 0.066 0.662
document_2277 507.4890 507.4890 None 0.065 0.069
document_5212 744.4690 744.4690 None 0.063 0.676
document_4235 690.4480 690.4480 None 0.063 0.706
document_2053 498.1880 498.1880 None 0.063 0.020
document_5083 738.4390 738.4390 None 0.062 0.647
document_4706 716.4150 716.4150 None 0.061 0.652
document_3096 588.4960 588.4960 None 0.061 0.670
document_4172 690.1360 690.1360 None 0.060 0.686
document_4185 688.4920 688.4920 None 0.060 0.662
document_4208 690.4010 690.4010 None 0.059 0.651
document_4527 704.4150 704.4150 None 0.059 0.683
document_4709 716.4150 716.4150 None 0.059 0.660
document_5190 744.4430 744.4430 None 0.058 0.680
document_4903 727.3830 727.3830 None 0.058 0.645
document_5580 819.4990 819.4990 None 0.058 0.658
document_5189 744.4430 744.4430 None 0.058 0.660
document_4727 716.4160 716.4160 None 0.057 0.680
document_4239 690.4010 690.4010 None 0.057 0.674
document_5271 755.2830 755.2830 None 0.057 0.660
document_4693 716.4150 716.4150 None 0.056 0.657
document_4929 730.5100 730.5100 None 0.056 0.682
document_5801 943.5250 943.5250 None 0.055 0.054
document_4215 690.4010 690.4010 None 0.054 0.674
document_3114 590.4190 590.4190 None 0.053 0.647
document_4512 704.4150 704.4150 None 0.053 0.654
document_5126 740.4340 740.4340 None 0.052 0.647
document_5072 738.4050 738.4050 None 0.052 0.670
document_4237 690.4020 690.4020 None 0.050 0.673
document_2008 495.2830 495.2830 None 0.050 0.646

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.