Mass2Motif: motif_199

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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 peptidic motif

Short Annotation: Salinispora arenicola related peptidic motif

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 0.9142718585253833. 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_143.0500 0.175
fragment_242.1500 0.175
fragment_531.2500 0.173
fragment_532.2500 0.035
fragment_430.1500 0.027
fragment_432.1500 0.027
fragment_357.1500 0.025
fragment_412.2500 0.021
fragment_384.2500 0.017
loss_170.6500 0.017
fragment_260.0500 0.016
fragment_145.0500 0.016
fragment_446.2500 0.014
loss_188.5500 0.012
fragment_513.2500 0.008
fragment_86.0500 0.008
loss_159.8500 0.007
loss_168.6500 0.007
fragment_393.7500 0.007
fragment_58.9500 0.006
loss_152.0500 0.005
fragment_533.2500 0.004
loss_190.0500 0.004
fragment_418.1500 0.004
fragment_176.0500 0.004
fragment_297.2500 0.004
fragment_224.1500 0.004
fragment_517.2500 0.003
fragment_618.2500 0.003
loss_198.5500 0.003
fragment_375.1500 0.003
fragment_122.0500 0.003
loss_81.0500 0.002
fragment_561.2500 0.002
fragment_562.6500 0.002
loss_117.0500 0.002
fragment_318.5500 0.002
loss_144.7500 0.002
fragment_160.0500 0.002
fragment_395.1500 0.002
fragment_706.2500 0.002
fragment_418.2500 0.002
fragment_717.3500 0.002
fragment_198.0500 0.002
loss_25.6500 0.002
loss_79.0500 0.002
fragment_171.0500 0.002
fragment_608.8500 0.002
loss_126.5500 0.002
fragment_684.3500 0.002
loss_178.2500 0.002
loss_62.1500 0.002
fragment_385.2500 0.002
fragment_891.3500 0.002
loss_163.1500 0.002
fragment_370.1500 0.001
fragment_344.0500 0.001
fragment_667.3500 0.001
loss_160.2500 0.001
fragment_193.0500 0.001
fragment_610.3500 0.001
loss_178.0500 0.001
loss_143.5500 0.001
fragment_558.7500 0.001
fragment_588.2500 0.001
fragment_299.0500 0.001
loss_77.5500 0.001
loss_48.1500 0.001
fragment_383.7500 0.001
fragment_433.2500 0.001
fragment_120.0500 0.001
fragment_433.1500 0.001
fragment_568.3500 0.001
fragment_148.3500 0.001
fragment_273.1500 0.001
fragment_681.7500 0.001
loss_142.2500 0.001
fragment_70.0500 0.001
fragment_666.3500 0.001
fragment_877.4500 0.001
loss_79.5500 0.001
fragment_499.7500 0.001
fragment_669.6500 0.001

Counts of Classyfire Substituent terms

Term name Count in motif Percentage in motif Percentage in experiment Absolute difference
Hydrocarbon derivative 45 100 100 0
Organooxygen compound 45 100 95.3 4.7
Organonitrogen compound 35 77.8 54.1 23.7
Organic nitrogen compound 34 75.6 55.6 19.9
Carbonyl group 30 66.7 44.0 22.6
Organopnictogen compound 26 57.8 45.2 12.5
Azacycle 16 35.6 22.6 12.9
Organoheterocyclic compound 10 22.2 13.3 8.9
Benzenoid 8 17.8 18.3 0.6
Alcohol 5 11.1 14.7 3.5
Secondary alcohol 4 8.9 7.7 1.2
Carboxamide group 4 8.9 5.5 3.4
Aromatic heteropolycyclic compound 2 4.4 9.6 5.2
Oxacycle 2 4.4 7.9 3.5
Amine 1 2.2 4.4 2.1
Heteroaromatic compound 1 2.2 5.8 3.5
Carboxylic acid ester 1 2.2 1.8 0.4
Aliphatic acyclic compound 1 2.2 2.9 0.7
Primary alcohol 1 2.2 0.9 1.4
Oxane 1 2.2 1.9 0.3
Polyol 1 2.2 1.6 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_5023 735.3310 735.3310 None 0.953 0.479
document_5021 735.3290 735.3290 None 0.927 0.267
document_5022 735.3290 735.3290 None 0.911 0.466
document_5024 735.3310 735.3310 None 0.886 0.471
document_3588 636.2630 636.2630 None 0.872 0.253
document_5020 735.3270 735.3270 None 0.870 0.238
document_3222 600.7970 600.7970 None 0.823 0.488
document_1527 461.2120 461.2120 None 0.759 0.183
document_4960 731.8510 731.8510 None 0.532 0.201
document_1557 463.2650 463.2650 None 0.501 0.445
document_423 417.2750 417.2750 None 0.483 0.179
document_4661 715.7540 715.7540 None 0.391 0.211
document_5019 735.3180 735.3180 None 0.364 0.609
document_5025 735.3310 735.3310 None 0.312 0.186
document_362 415.3450 415.3450 None 0.303 0.186
document_1982 493.2780 493.2780 None 0.300 0.399
document_1893 487.0680 487.0680 None 0.294 0.193
document_5599 824.6570 824.6570 None 0.225 0.011
document_3988 678.3060 678.3060 None 0.220 0.609
document_1890 486.2840 486.2840 None 0.200 0.175
document_3082 587.8560 587.8560 None 0.200 0.184
document_3010 579.7540 579.7540 None 0.182 0.226
document_3929 671.4140 671.4140 None 0.158 0.215
document_4961 731.8510 731.8510 None 0.143 0.229
document_3260 603.4970 603.4970 None 0.130 0.194
document_3526 633.3220 633.3220 None 0.121 0.192
document_403 415.8210 415.8210 None 0.119 0.199
document_2814 562.8280 562.8280 None 0.115 0.369
document_5177 743.3760 743.3760 None 0.094 0.175
document_3140 592.3420 592.3420 None 0.091 0.173
document_3011 579.7560 579.7560 None 0.091 0.211
document_5760 911.5080 911.5080 None 0.090 0.389
document_2274 508.2700 508.2700 None 0.083 0.175
document_3161 595.3300 595.3300 None 0.082 0.177
document_1609 465.8200 465.8200 None 0.081 0.183
document_3204 597.8580 597.8580 None 0.076 0.181
document_3776 651.4690 651.4690 None 0.073 0.204
document_1314 444.5970 444.5970 None 0.071 0.190
document_3955 674.8060 674.8060 None 0.068 0.176
document_3802 655.3220 655.3220 None 0.065 0.173
document_3989 678.2930 678.2930 None 0.063 0.223
document_467 419.2640 419.2640 None 0.062 0.196
document_1932 489.2580 489.2580 None 0.061 0.027
document_1111 435.2600 435.2600 None 0.060 0.189
document_31 401.2640 401.2640 None 0.060 0.359

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.