Mass2Motif: motif_143

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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 0.9228023938843074. 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
loss_89.0500 0.170
fragment_357.1500 0.150
loss_146.0500 0.133
loss_145.5500 0.040
fragment_358.1500 0.034
loss_88.0500 0.027
fragment_311.3500 0.015
loss_66.4500 0.014
fragment_544.2500 0.013
loss_176.0500 0.013
loss_137.5500 0.013
fragment_739.4500 0.013
fragment_484.2500 0.013
fragment_533.7500 0.013
fragment_527.4500 0.013
fragment_793.0500 0.012
fragment_189.1500 0.012
loss_145.0500 0.011
fragment_534.3500 0.011
fragment_484.7500 0.009
fragment_624.3500 0.008
fragment_819.3500 0.008
fragment_874.4500 0.007
fragment_97.1500 0.007
fragment_273.1500 0.007
loss_175.0500 0.006
fragment_265.1500 0.005
fragment_740.4500 0.005
loss_87.0500 0.005
loss_78.7500 0.004
fragment_252.2500 0.004
loss_93.0500 0.004
loss_110.4500 0.004
fragment_148.0500 0.004
fragment_485.2500 0.003
fragment_339.1500 0.003
fragment_822.4500 0.003
fragment_427.2500 0.003
loss_88.8500 0.003
fragment_359.1500 0.003
loss_159.9500 0.003
fragment_470.3500 0.003
fragment_409.2500 0.003
loss_136.5500 0.003
fragment_545.2500 0.003
fragment_575.6500 0.003
fragment_241.1500 0.003
fragment_341.1500 0.003
fragment_770.6500 0.003
fragment_588.8500 0.003
fragment_769.3500 0.003
fragment_454.1500 0.003
fragment_534.8500 0.002
fragment_793.4500 0.002
fragment_712.4500 0.002
fragment_827.4500 0.002
fragment_542.3500 0.002
loss_153.2500 0.002
fragment_740.9500 0.002
fragment_911.4500 0.002
fragment_775.5500 0.002
fragment_968.5500 0.002
fragment_892.4500 0.002
fragment_967.5500 0.002
fragment_452.2500 0.002
fragment_870.4500 0.002
fragment_834.5500 0.002
fragment_425.1500 0.002
fragment_625.3500 0.002
fragment_922.8500 0.001
fragment_603.2500 0.001
fragment_217.0500 0.001
fragment_312.2500 0.001
fragment_987.3500 0.001
fragment_449.2500 0.001
fragment_631.7500 0.001
loss_196.6500 0.001
fragment_385.1500 0.001
fragment_274.1500 0.001
fragment_876.4500 0.001
fragment_222.8500 0.001
fragment_856.4500 0.001
fragment_578.3500 0.001
fragment_498.3500 0.001
loss_46.9500 0.001
fragment_583.3500 0.001
fragment_244.1500 0.001
fragment_643.3500 0.001
fragment_331.1500 0.001
fragment_296.1500 0.001
loss_27.0500 0.001
fragment_395.1500 0.001
loss_114.3500 0.001
fragment_714.0500 0.001
fragment_64.9500 0.001
loss_174.0500 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 43 95.6 95.3 0.2
Organic nitrogen compound 26 57.8 55.6 2.1
Organonitrogen compound 26 57.8 54.1 3.7
Organopnictogen compound 24 53.3 45.2 8.1
Carbonyl group 17 37.8 44.0 6.3
Azacycle 16 35.6 22.6 12.9
Alcohol 10 22.2 14.7 7.6
Organoheterocyclic compound 8 17.8 13.3 4.5
Benzenoid 8 17.8 18.3 0.6
Carboxamide group 6 13.3 5.5 7.9
Secondary alcohol 5 11.1 7.7 3.4
Aromatic heteropolycyclic compound 5 11.1 9.6 1.5
Oxacycle 4 8.9 7.9 1.0
Carboxylic acid ester 2 4.4 1.8 2.6
Primary alcohol 2 4.4 0.9 3.6
Oxane 2 4.4 1.9 2.5
Polyol 2 4.4 1.6 2.9
Acetal 2 4.4 1.5 3.0
Amine 2 4.4 4.4 0.1
O-glycosyl compound 1 2.2 1.2 1.0
Glycosyl compound 1 2.2 0.7 1.5
Heteroaromatic compound 1 2.2 5.8 3.5

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_4086 681.7960 681.7960 None 0.982 0.076
document_5771 915.5100 915.5100 None 0.927 0.061
document_4065 679.8490 679.8490 None 0.843 0.221
document_3502 630.3170 630.3170 None 0.815 0.242
document_5604 828.4230 828.4230 None 0.802 0.208
document_2960 573.3200 573.3200 None 0.801 0.187
document_16 400.3870 400.3870 None 0.776 0.218
document_5905 1112.6300 1112.6300 None 0.680 0.212
document_3617 638.3150 638.3150 None 0.678 0.364
document_5682 859.5370 859.5370 None 0.626 0.039
document_3590 638.2850 638.2850 None 0.613 0.361
document_2812 562.4820 562.4820 None 0.603 0.046
document_3618 638.3120 638.3120 None 0.559 0.185
document_14 400.3800 400.3800 None 0.490 0.202
document_8 400.3760 400.3760 None 0.460 0.199
document_6 400.3770 400.3770 None 0.440 0.203
document_5904 1109.5770 1109.5770 None 0.413 0.021
document_12 400.3770 400.3770 None 0.409 0.203
document_11 400.3770 400.3770 None 0.396 0.206
document_9 400.3760 400.3760 None 0.385 0.203
document_27 401.1340 401.1340 None 0.372 0.193
document_3616 638.3140 638.3140 None 0.344 0.190
document_25 401.1340 401.1340 None 0.303 0.190
document_4863 723.3650 723.3650 None 0.266 0.187
document_15 400.3790 400.3790 None 0.265 0.170
document_4379 700.3670 700.3670 None 0.185 0.182
document_3251 602.7250 602.7250 None 0.143 0.185
document_3382 614.3880 614.3880 None 0.141 0.198
document_1642 468.1820 468.1820 None 0.133 0.176
document_1137 437.2390 437.2390 None 0.102 0.150
document_4862 723.3660 723.3660 None 0.099 0.193
document_1839 483.2080 483.2080 None 0.092 0.217
document_1160 439.2630 439.2630 None 0.091 0.157
document_1641 468.1560 468.1560 None 0.075 0.134
document_2308 511.2780 511.2780 None 0.074 0.170
document_807 429.2420 429.2420 None 0.064 0.133
document_2861 566.8900 566.8900 None 0.059 0.013
document_957 430.9130 430.9130 None 0.059 0.016
document_2576 538.2520 538.2520 None 0.058 0.155
document_2331 513.1650 513.1650 None 0.056 0.133
document_1573 463.2790 463.2790 None 0.056 0.150
document_1840 483.2030 483.2030 None 0.054 0.183
document_778 429.1790 429.1790 None 0.051 0.137
document_3435 622.0290 622.0290 None 0.051 0.133
document_4351 695.3370 695.3370 None 0.051 0.138

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.