Mass2Motif: motif_185

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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 0.9606160170669793. 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_597.3500 0.516
fragment_598.3500 0.154
loss_137.9500 0.115
fragment_406.1500 0.019
fragment_557.2500 0.014
fragment_230.0500 0.014
fragment_456.6500 0.012
fragment_424.1500 0.011
fragment_534.7500 0.009
fragment_457.1500 0.008
loss_161.1500 0.007
fragment_134.4500 0.005
fragment_413.0500 0.005
fragment_434.1500 0.005
fragment_425.1500 0.005
fragment_481.2500 0.005
fragment_673.3500 0.005
loss_67.5500 0.004
fragment_535.2500 0.004
fragment_525.7500 0.004
fragment_811.2500 0.003
fragment_186.3500 0.003
fragment_376.6500 0.003
fragment_140.0500 0.002
fragment_448.1500 0.002
fragment_315.1500 0.002
fragment_419.1500 0.002
fragment_615.4500 0.002
loss_122.9500 0.002
loss_162.1500 0.002
fragment_599.3500 0.002
fragment_97.0500 0.002
fragment_363.0500 0.002
fragment_324.0500 0.002
fragment_526.6500 0.002
fragment_457.6500 0.001
loss_100.1500 0.001
loss_59.0500 0.001
fragment_466.1500 0.001
fragment_376.1500 0.001
fragment_85.0500 0.001
fragment_470.8500 0.001
fragment_273.1500 0.001

Counts of Classyfire Substituent terms

Term name Count in motif Percentage in motif Percentage in experiment Absolute difference
Hydrocarbon derivative 82 100 100 0
Organooxygen compound 76 92.7 95.3 2.6
Carbonyl group 35 42.7 44.0 1.3
Alcohol 32 39.0 14.7 24.4
Organic nitrogen compound 21 25.6 55.6 30.0
Organonitrogen compound 20 24.4 54.1 29.7
Secondary alcohol 15 18.3 7.7 10.6
Organoheterocyclic compound 14 17.1 13.3 3.8
Organopnictogen compound 14 17.1 45.2 28.2
Benzenoid 5 6.1 18.3 12.2
Azacycle 5 6.1 22.6 16.5
Aromatic heteropolycyclic compound 5 6.1 9.6 3.5
Heteroaromatic compound 5 6.1 5.8 0.3
Oxacycle 5 6.1 7.9 1.8
Oxane 3 3.7 1.9 1.8
O-glycosyl compound 2 2.4 1.2 1.2
Acetal 2 2.4 1.5 1.0
Glycosyl compound 2 2.4 0.7 1.7
Polyol 2 2.4 1.6 0.9
Carboxamide group 1 1.2 5.5 4.3
Aliphatic acyclic compound 1 1.2 2.9 1.7
Primary alcohol 1 1.2 0.9 0.4
Carboxylic acid ester 1 1.2 1.8 0.6

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_5851 987.5420 987.5420 None 0.505 0.677
document_2438 525.2130 525.2130 None 0.462 0.057
document_3251 602.7250 602.7250 None 0.415 0.073
document_4098 683.4160 683.4160 None 0.351 0.689
document_1120 437.2230 437.2230 None 0.322 0.114
document_4123 683.4340 683.4340 None 0.310 0.543
document_4124 683.4340 683.4340 None 0.305 0.535
document_1127 437.2360 437.2360 None 0.300 0.115
document_1122 437.2230 437.2230 None 0.300 0.116
document_1387 451.2460 451.2460 None 0.280 0.116
document_4097 683.4200 683.4200 None 0.218 0.687
document_4104 683.3960 683.3960 None 0.215 0.684
document_5796 941.5110 941.5110 None 0.215 0.155
document_4099 683.4190 683.4190 None 0.198 0.677
document_4127 683.4340 683.4340 None 0.190 0.672
document_5794 941.5080 941.5080 None 0.181 0.516
document_4756 717.8870 717.8870 None 0.178 0.671
document_5548 813.4320 813.4320 None 0.174 0.670
document_5795 941.5070 941.5070 None 0.173 0.516
document_5076 738.4330 738.4330 None 0.170 0.519
document_5062 738.3950 738.3950 None 0.165 0.674
document_5059 738.3950 738.3950 None 0.159 0.672
document_3960 675.4680 675.4680 None 0.158 0.114
document_4122 683.4340 683.4340 None 0.157 0.518
document_4664 716.3440 716.3440 None 0.155 0.670
document_5071 738.3960 738.3960 None 0.153 0.675
document_4121 683.4340 683.4340 None 0.147 0.530
document_686 424.7610 424.7610 None 0.147 0.670
document_5080 738.3950 738.3950 None 0.143 0.670
document_4125 683.4340 683.4340 None 0.139 0.520
document_4286 691.3820 691.3820 None 0.137 0.674
document_5792 941.5060 941.5060 None 0.136 0.676
document_5448 781.9140 781.9140 None 0.135 0.516
document_5060 738.3950 738.3950 None 0.126 0.670
document_5066 738.3950 738.3950 None 0.124 0.670
document_5053 738.4010 738.4010 None 0.123 0.676
document_5058 738.3950 738.3950 None 0.123 0.670
document_5048 738.3950 738.3950 None 0.122 0.519
document_5042 738.3530 738.3530 None 0.120 0.674
document_5046 738.4030 738.4030 None 0.118 0.670
document_5055 738.3950 738.3950 None 0.117 0.670
document_5045 738.4040 738.4040 None 0.113 0.680
document_5040 738.3680 738.3680 None 0.109 0.672
document_5094 738.3960 738.3960 None 0.109 0.670
document_5449 781.9150 781.9150 None 0.108 0.670
document_4118 683.4340 683.4340 None 0.108 0.672
document_4101 683.3950 683.3950 None 0.104 0.154
document_4120 683.4340 683.4340 None 0.100 0.516
document_5769 915.4910 915.4910 None 0.099 0.516
document_5793 941.5070 941.5070 None 0.099 0.154
document_5074 738.3950 738.3950 None 0.099 0.673
document_5051 738.3980 738.3980 None 0.099 0.670
document_5078 738.3960 738.3960 None 0.098 0.671
document_5056 738.3950 738.3950 None 0.098 0.671
document_5052 738.4060 738.4060 None 0.094 0.670
document_5330 763.5060 763.5060 None 0.094 0.115
document_5038 738.3850 738.3850 None 0.090 0.672
document_5033 738.3000 738.3000 None 0.089 0.672
document_5092 738.3960 738.3960 None 0.089 0.670
document_4126 683.4370 683.4370 None 0.088 0.520
document_675 423.2110 423.2110 None 0.087 0.114
document_5093 738.3960 738.3960 None 0.085 0.672
document_5057 738.3950 738.3950 None 0.085 0.675
document_5087 738.3960 738.3960 None 0.084 0.632
document_5065 738.4000 738.4000 None 0.080 0.672
document_5896 1091.5630 1091.5630 None 0.079 0.670
document_5090 738.3960 738.3960 None 0.077 0.516
document_4270 690.5040 690.5040 None 0.077 0.114
document_5804 945.5020 945.5020 None 0.074 0.674
document_5061 738.3950 738.3950 None 0.074 0.670
document_3829 661.3590 661.3590 None 0.074 0.674
document_5037 738.5770 738.5770 None 0.074 0.674
document_5044 738.3950 738.3950 None 0.068 0.670
document_4288 691.3840 691.3840 None 0.065 0.672
document_5091 738.3960 738.3960 None 0.058 0.516
document_5012 734.3810 734.3810 None 0.057 0.517
document_4931 730.4980 730.4980 None 0.056 0.115
document_4271 690.5060 690.5060 None 0.053 0.115
document_4129 683.4390 683.4390 None 0.053 0.516
document_5006 734.3690 734.3690 None 0.053 0.516
document_1959 491.0700 491.0700 None 0.052 0.670
document_4111 683.3560 683.3560 None 0.050 0.114

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.