Mass2Motif: motif_93

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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 0.9691576002327469. 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_149.0500 0.434
fragment_310.2500 0.190
fragment_376.2500 0.053
fragment_197.1500 0.029
loss_81.5500 0.019
fragment_460.7500 0.018
fragment_279.1500 0.009
fragment_377.2500 0.008
loss_64.5500 0.007
fragment_477.7500 0.007
fragment_475.3500 0.007
fragment_129.7500 0.006
loss_81.0500 0.006
fragment_461.7500 0.006
loss_80.5500 0.006
loss_117.7500 0.006
fragment_461.2500 0.006
loss_131.1500 0.006
fragment_470.5500 0.006
fragment_478.2500 0.005
loss_64.0500 0.005
loss_142.8500 0.005
fragment_276.4500 0.005
fragment_222.0500 0.005
loss_36.2500 0.005
fragment_552.1500 0.005
loss_130.0500 0.005
fragment_221.0500 0.005
fragment_430.3500 0.004
fragment_475.2500 0.004
loss_85.6500 0.004
loss_158.0500 0.004
fragment_502.7500 0.004
loss_165.0500 0.004
fragment_457.2500 0.004
fragment_289.2500 0.004
fragment_246.9500 0.004
fragment_494.4500 0.004
loss_93.9500 0.004
fragment_531.8500 0.003
loss_56.5500 0.003
fragment_212.2500 0.003
fragment_458.2500 0.003
fragment_198.1500 0.003
loss_162.1500 0.003
loss_187.3500 0.003
loss_191.2500 0.003
fragment_401.0500 0.003
fragment_397.0500 0.003
fragment_333.5500 0.003
fragment_170.2500 0.003
fragment_106.0500 0.003
fragment_293.2500 0.003
fragment_86.1500 0.002
fragment_126.0500 0.002
fragment_275.1500 0.002
loss_113.0500 0.001
fragment_175.8500 0.001

Counts of Classyfire Substituent terms

Term name Count in motif Percentage in motif Percentage in experiment Absolute difference
Hydrocarbon derivative 47 100 100 0
Organooxygen compound 46 97.9 95.3 2.5
Organic nitrogen compound 24 51.1 55.6 4.6
Carbonyl group 23 48.9 44.0 4.9
Organonitrogen compound 21 44.7 54.1 9.4
Organopnictogen compound 15 31.9 45.2 13.3
Azacycle 9 19.1 22.6 3.5
Alcohol 6 12.8 14.7 1.9
Organoheterocyclic compound 4 8.5 13.3 4.8
Amine 4 8.5 4.4 4.1
Secondary alcohol 4 8.5 7.7 0.8
Carboxamide group 3 6.4 5.5 0.9
Benzenoid 3 6.4 18.3 12.0
Oxane 2 4.3 1.9 2.3
Oxacycle 2 4.3 7.9 3.7
O-glycosyl compound 2 4.3 1.2 3.1
Polyol 2 4.3 1.6 2.7
Acetal 2 4.3 1.5 2.8
Aliphatic acyclic compound 2 4.3 2.9 1.3
Primary alcohol 1 2.1 0.9 1.3
Glycosyl compound 1 2.1 0.7 1.4
Aromatic homomonocyclic compound 1 2.1 0.1 2.1

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_2613 542.2340 542.2340 None 0.855 0.090
document_2344 513.3300 513.3300 None 0.818 0.189
document_3199 597.4800 597.4800 None 0.796 0.189
document_3093 588.3740 588.3740 None 0.709 0.379
document_5693 864.7290 864.7290 None 0.662 0.189
document_3249 602.3900 602.3900 None 0.647 0.076
document_3094 588.3750 588.3750 None 0.457 0.243
document_474 419.2750 419.2750 None 0.441 0.467
document_512 420.1640 420.1640 None 0.413 0.441
document_1733 473.3440 473.3440 None 0.186 0.436
document_2754 556.2920 556.2920 None 0.153 0.446
document_4898 727.3800 727.3800 None 0.151 0.189
document_431 419.3550 419.3550 None 0.145 0.437
document_420 417.2340 417.2340 None 0.140 0.462
document_2191 502.3140 502.3140 None 0.138 0.435
document_4164 688.3860 688.3860 None 0.130 0.436
document_386 415.1240 415.1240 None 0.113 0.434
document_438 418.7540 418.7540 None 0.110 0.434
document_1887 486.2030 486.2030 None 0.108 0.434
document_1476 457.3290 457.3290 None 0.097 0.435
document_430 419.0270 419.0270 None 0.093 0.436
document_5097 739.4220 739.4220 None 0.092 0.432
document_2577 539.1700 539.1700 None 0.092 0.070
document_393 416.5060 416.5060 None 0.091 0.435
document_193 407.2790 407.2790 None 0.088 0.433
document_5538 809.5480 809.5480 None 0.086 0.221
document_1135 437.2310 437.2310 None 0.086 0.190
document_5196 744.4430 744.4430 None 0.085 0.433
document_2572 537.4880 537.4880 None 0.081 0.430
document_1718 473.2320 473.2320 None 0.077 0.437
document_1905 489.3830 489.3830 None 0.077 0.076
document_5715 880.5880 880.5880 None 0.075 0.221
document_511 419.3140 419.3140 None 0.075 0.627
document_577 421.2320 421.2320 None 0.074 0.437
document_631 421.2360 421.2360 None 0.069 0.439
document_1785 478.2330 478.2330 None 0.068 0.434
document_227 410.2150 410.2150 None 0.068 0.434
document_2615 542.3210 542.3210 None 0.064 0.221
document_4770 718.4290 718.4290 None 0.061 0.430
document_457 419.2880 419.2880 None 0.060 0.436
document_1296 443.3310 443.3310 None 0.058 0.434
document_508 419.3150 419.3150 None 0.058 0.433
document_385 415.1240 415.1240 None 0.057 0.434
document_785 429.1790 429.1790 None 0.056 0.432
document_4507 704.4150 704.4150 None 0.056 0.433
document_3592 636.3750 636.3750 None 0.054 0.065
document_5112 740.4100 740.4100 None 0.051 0.426

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.