Mass2Motif: motif_274

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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 0.9580924243676818. 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_261.1500 0.265
fragment_419.2500 0.128
fragment_126.0500 0.070
fragment_295.0500 0.053
fragment_733.4500 0.035
fragment_230.1500 0.030
fragment_348.1500 0.023
fragment_347.1500 0.022
fragment_420.2500 0.020
fragment_581.3500 0.014
fragment_262.1500 0.014
loss_19.0500 0.014
fragment_438.1500 0.014
fragment_649.3500 0.011
loss_127.3500 0.011
fragment_349.1500 0.010
fragment_842.5500 0.010
fragment_297.0500 0.009
fragment_374.2500 0.009
loss_67.0500 0.008
fragment_469.3500 0.008
fragment_460.2500 0.008
fragment_841.5500 0.008
fragment_447.2500 0.006
fragment_642.4500 0.006
fragment_728.4500 0.006
loss_68.0500 0.006
fragment_685.4500 0.006
loss_134.3500 0.006
fragment_684.4500 0.006
fragment_296.0500 0.006
loss_67.3500 0.005
fragment_685.0500 0.005
fragment_301.2500 0.005
fragment_684.7500 0.004
loss_67.7500 0.004
fragment_784.5500 0.004
loss_170.0500 0.004
fragment_198.1500 0.004
fragment_448.2500 0.004
fragment_322.1500 0.004
fragment_106.9500 0.004
fragment_591.3500 0.004
fragment_375.2500 0.004
loss_112.0500 0.003
fragment_673.2500 0.003
loss_103.4500 0.003
fragment_396.2500 0.003
fragment_270.9500 0.003
fragment_445.1500 0.003
loss_144.4500 0.003
fragment_632.2500 0.003
fragment_446.2500 0.003
fragment_491.1500 0.003
fragment_417.2500 0.003
fragment_559.4500 0.002
loss_179.6500 0.002
fragment_572.3500 0.002
fragment_520.3500 0.002
fragment_497.3500 0.002
fragment_447.1500 0.002
fragment_621.0500 0.002
loss_54.3500 0.002
fragment_471.0500 0.002
fragment_332.0500 0.001
loss_126.6500 0.001
fragment_548.7500 0.001
loss_193.6500 0.001
fragment_284.1500 0.001
fragment_256.9500 0.001
loss_32.5500 0.001

Counts of Classyfire Substituent terms

Term name Count in motif Percentage in motif Percentage in experiment Absolute difference
Hydrocarbon derivative 60 100 100 0
Organooxygen compound 60 100 95.3 4.7
Organic nitrogen compound 34 56.7 55.6 1.0
Organonitrogen compound 33 55 54.1 0.9
Carbonyl group 32 53.3 44.0 9.3
Organopnictogen compound 29 48.3 45.2 3.1
Azacycle 17 28.3 22.6 5.7
Organoheterocyclic compound 16 26.7 13.3 13.3
Alcohol 10 16.7 14.7 2.0
Carboxamide group 9 15 5.5 9.5
Benzenoid 9 15 18.3 3.3
Oxacycle 7 11.7 7.9 3.8
Amine 7 11.7 4.4 7.3
Aromatic heteropolycyclic compound 6 10 9.6 0.4
Heteroaromatic compound 6 10 5.8 4.2
Secondary alcohol 4 6.7 7.7 1.0
Aliphatic acyclic compound 1 1.7 2.9 1.3
Primary amine 1 1.7 0.5 1.2
Primary alcohol 1 1.7 0.9 0.8
Oxane 1 1.7 1.9 0.2
Polyol 1 1.7 1.6 0.1
Acetal 1 1.7 1.5 0.2
Glycosyl compound 1 1.7 0.7 0.9
Monosaccharide 1 1.7 0.1 1.6

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_3926 671.2230 671.2230 None 0.992 0.056
document_5256 752.4900 752.4900 None 0.970 0.094
document_5810 954.6320 954.6320 None 0.871 0.425
document_5422 776.7300 776.7300 None 0.857 0.133
document_2216 505.2320 505.2320 None 0.779 0.071
document_3959 675.4050 675.4050 None 0.663 0.180
document_2401 521.2820 521.2820 None 0.523 0.297
document_2402 521.2800 521.2800 None 0.473 0.282
document_1782 477.8190 477.8190 None 0.420 0.356
document_4657 715.3660 715.3660 None 0.415 0.068
document_2162 499.2890 499.2890 None 0.405 0.283
document_2196 503.2710 503.2710 None 0.401 0.299
document_1541 462.2600 462.2600 None 0.268 0.418
document_3407 618.3310 618.3310 None 0.256 0.148
document_5532 808.4770 808.4770 None 0.221 0.148
document_3402 617.3460 617.3460 None 0.207 0.148
document_5462 786.4570 786.4570 None 0.203 0.067
document_2574 537.4880 537.4880 None 0.201 0.265
document_3140 592.3420 592.3420 None 0.192 0.148
document_2427 523.3580 523.3580 None 0.164 0.149
document_4100 683.4160 683.4160 None 0.161 0.128
document_1691 473.0800 473.0800 None 0.159 0.264
document_2980 576.3310 576.3310 None 0.139 0.289
document_3349 613.2480 613.2480 None 0.139 0.070
document_1322 445.2680 445.2680 None 0.139 0.279
document_2387 519.2620 519.2620 None 0.137 0.283
document_5288 757.4710 757.4710 None 0.136 0.170
document_1734 473.5190 473.5190 None 0.131 0.278
document_4120 683.4340 683.4340 None 0.128 0.157
document_2575 537.4890 537.4890 None 0.127 0.265
document_1243 442.2660 442.2660 None 0.126 0.265
document_3971 676.3650 676.3650 None 0.113 0.059
document_3207 598.3070 598.3070 None 0.111 0.289
document_4959 731.4680 731.4680 None 0.111 0.283
document_3182 595.3810 595.3810 None 0.108 0.070
document_717 426.3190 426.3190 None 0.108 0.265
document_5512 800.4430 800.4430 None 0.101 0.035
document_1579 463.2980 463.2980 None 0.098 0.269
document_2619 543.2710 543.2710 None 0.090 0.266
document_1850 484.2370 484.2370 None 0.090 0.265
document_4122 683.4340 683.4340 None 0.082 0.093
document_3165 595.3520 595.3520 None 0.080 0.092
document_4118 683.4340 683.4340 None 0.078 0.149
document_1238 442.1520 442.1520 None 0.073 0.053
document_4098 683.4160 683.4160 None 0.071 0.156
document_2577 539.1700 539.1700 None 0.070 0.265
document_1288 443.8980 443.8980 None 0.069 0.275
document_2858 566.9010 566.9010 None 0.067 0.265
document_4752 717.3590 717.3590 None 0.067 0.265
document_3826 659.2530 659.2530 None 0.062 0.070
document_1603 465.2010 465.2010 None 0.061 0.318
document_416 417.2030 417.2030 None 0.059 0.070
document_3134 591.3240 591.3240 None 0.058 0.030
document_2652 546.3980 546.3980 None 0.058 0.078
document_1678 470.2260 470.2260 None 0.057 0.265
document_502 420.3750 420.3750 None 0.057 0.265
document_3178 595.3810 595.3810 None 0.056 0.099
document_930 430.9120 430.9120 None 0.054 0.053
document_223 410.1530 410.1530 None 0.051 0.264
document_1934 489.3060 489.3060 CYTIDINE 5'-DIPHOSPHOCHOLINE 0.051 0.263

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.