Mass2Motif: motif_214

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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 0.9698233379137375. 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_199.0500 0.343
fragment_299.1500 0.274
loss_144.1500 0.080
fragment_315.1500 0.025
loss_142.1500 0.022
fragment_143.0500 0.021
fragment_101.0500 0.012
fragment_55.0500 0.011
loss_144.6500 0.009
fragment_102.1500 0.009
fragment_300.1500 0.009
loss_195.3500 0.008
fragment_200.0500 0.008
fragment_57.0500 0.008
loss_95.2500 0.007
loss_143.3500 0.007
loss_128.1500 0.006
loss_127.3500 0.006
fragment_189.1500 0.006
loss_144.2500 0.005
loss_142.6500 0.005
fragment_225.0500 0.005
fragment_174.9500 0.005
fragment_242.9500 0.005
fragment_74.0500 0.005
fragment_83.0500 0.004
fragment_252.8500 0.004
loss_190.4500 0.004
fragment_174.0500 0.004
loss_185.4500 0.004
loss_166.2500 0.004
loss_98.1500 0.003
fragment_257.0500 0.002
fragment_240.8500 0.002
loss_143.1500 0.002
loss_44.5500 0.002
loss_168.2500 0.002
fragment_190.1500 0.002
fragment_377.1500 0.002
fragment_255.8500 0.002
loss_132.6500 0.002
fragment_309.9500 0.002
loss_199.6500 0.002
fragment_131.1500 0.002
fragment_273.1500 0.001
fragment_345.1500 0.001
loss_194.0500 0.001
fragment_249.2500 0.001
loss_101.1500 0.001
loss_108.2500 0.001
fragment_342.2500 0.001
fragment_226.5500 0.001
loss_81.1500 0.001
fragment_62.9500 0.001
fragment_309.2500 0.001
fragment_294.2500 0.001
fragment_89.5500 0.001
loss_143.6500 0.001
loss_149.0500 0.001
loss_157.1500 0.001

Counts of Classyfire Substituent terms

Term name Count in motif Percentage in motif Percentage in experiment Absolute difference
Hydrocarbon derivative 86 100 100 0
Organooxygen compound 84 97.7 95.3 2.3
Carbonyl group 33 38.4 44.0 5.7
Organic nitrogen compound 31 36.0 55.6 19.6
Organonitrogen compound 28 32.6 54.1 21.6
Organopnictogen compound 22 25.6 45.2 19.7
Benzenoid 19 22.1 18.3 3.7
Aromatic heteropolycyclic compound 11 12.8 9.6 3.1
Organoheterocyclic compound 8 9.3 13.3 4.0
Oxacycle 7 8.1 7.9 0.2
Azacycle 7 8.1 22.6 14.5
Heteroaromatic compound 6 7.0 5.8 1.2
Alcohol 4 4.7 14.7 10.0
Aliphatic acyclic compound 4 4.7 2.9 1.7
Carboxamide group 4 4.7 5.5 0.8
1-hydroxy-2-unsubstituted benzenoid 3 3.5 1.3 2.2
Polyol 2 2.3 1.6 0.7
Oxane 2 2.3 1.9 0.4
1-hydroxy-4-unsubstituted benzenoid 2 2.3 0.2 2.1
Carboxylic acid ester 1 1.2 1.8 0.6
Primary alcohol 1 1.2 0.9 0.3
Secondary alcohol 1 1.2 7.7 6.5
Acetal 1 1.2 1.5 0.3
Glycosyl compound 1 1.2 0.7 0.4
Monosaccharide 1 1.2 0.1 1.1
Amine 1 1.2 4.4 3.2
O-glycosyl compound 1 1.2 1.2 0.0
Phenol 1 1.2 0.5 0.7
5-hydroxyflavonoid 1 1.2 0.0 1.1
Hydroxyflavonoid 1 1.2 0.0 1.1
Chromone 1 1.2 0.0 1.1
1-benzopyran 1 1.2 0.1 1.1
Pyranone 1 1.2 0.0 1.1
Pyran 1 1.2 0.1 1.1

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_1299 443.3310 443.3310 None 0.809 0.736
document_1232 443.7620 443.7620 None 0.806 0.707
document_1233 443.8150 443.8150 None 0.787 0.696
document_1306 443.3320 443.3320 None 0.784 0.780
document_1289 443.3300 443.3300 None 0.763 0.731
document_1185 443.4020 443.4020 None 0.762 0.677
document_1292 443.3300 443.3300 None 0.732 0.717
document_1298 443.3310 443.3310 None 0.713 0.752
document_1300 443.3320 443.3320 None 0.712 0.757
document_1295 443.3310 443.3310 None 0.708 0.734
document_1305 443.3320 443.3320 None 0.700 0.709
document_1294 443.3310 443.3310 None 0.682 0.761
document_1293 443.3300 443.3300 None 0.645 0.745
document_1234 442.5240 442.5240 None 0.616 0.692
document_1307 443.3320 443.3320 None 0.616 0.390
document_1229 441.3510 441.3510 None 0.542 0.658
document_1290 443.5840 443.5840 None 0.535 0.676
document_1235 441.3520 441.3520 None 0.512 0.651
document_1992 494.5260 494.5260 None 0.507 0.653
document_1291 443.7490 443.7490 None 0.440 0.654
document_1301 444.0240 444.0240 None 0.436 0.687
document_1303 443.3310 443.3310 None 0.417 0.717
document_1198 441.2080 441.2080 None 0.402 0.304
document_1231 441.3510 441.3510 None 0.388 0.401
document_1204 441.8110 441.8110 None 0.381 0.700
document_3921 669.4480 669.4480 None 0.346 0.305
document_1304 443.3310 443.3310 None 0.336 0.722
document_4133 683.4690 683.4690 None 0.330 0.296
document_4131 683.4640 683.4640 None 0.324 0.304
document_1230 442.0640 442.0640 None 0.301 0.644
document_1624 467.1220 467.1220 None 0.300 0.683
document_1296 443.3310 443.3310 None 0.295 0.716
document_683 424.1720 424.1720 None 0.248 0.283
document_2076 498.4060 498.4060 None 0.244 0.695
document_3182 595.3810 595.3810 None 0.195 0.358
document_1209 441.2640 441.2640 None 0.194 0.652
document_1297 443.3310 443.3310 None 0.193 0.710
document_1873 485.2920 485.2920 None 0.182 0.617
document_3640 639.3360 639.3360 None 0.158 0.343
document_1471 457.3200 457.3200 None 0.134 0.322
document_1282 443.3170 443.3170 None 0.132 0.350
document_1138 437.2310 437.2310 None 0.124 0.274
document_1589 463.3010 463.3010 None 0.124 0.389
document_863 430.2100 430.2100 None 0.117 0.373
document_3382 614.3880 614.3880 None 0.116 0.274
document_2075 498.2670 498.2670 None 0.107 0.397
document_1582 463.3010 463.3010 None 0.103 0.625
document_1592 463.3020 463.3020 None 0.103 0.348
document_1586 463.3010 463.3010 None 0.101 0.282
document_1236 442.7340 442.7340 None 0.096 0.285
document_415 418.0490 418.0490 None 0.093 0.360
document_1340 447.2460 447.2460 None 0.087 0.627
document_5288 757.4710 757.4710 None 0.086 0.343
document_2069 498.2660 498.2660 None 0.085 0.365
document_1588 463.3010 463.3010 None 0.083 0.279
document_1584 463.3010 463.3010 None 0.082 0.617
document_4906 727.4000 727.4000 None 0.079 0.348
document_1502 459.1800 459.1800 None 0.076 0.342
document_1704 472.3390 472.3390 None 0.073 0.683
document_5411 771.3750 771.3750 None 0.072 0.351
document_4896 727.4010 727.4010 None 0.072 0.381
document_2520 532.3840 532.3840 None 0.071 0.361
document_2163 499.3130 499.3130 None 0.069 0.670
document_3939 672.5080 672.5080 None 0.068 0.359
document_1636 467.3050 467.3050 None 0.065 0.318
document_3748 647.3550 647.3550 None 0.065 0.351
document_296 413.2180 413.2180 None 0.064 0.343
document_763 429.1780 429.1780 None 0.062 0.343
document_1462 457.3160 457.3160 None 0.062 0.664
document_1283 443.3210 443.3210 None 0.061 0.367
document_2166 499.3130 499.3130 None 0.061 0.635
document_5292 758.3290 758.3290 None 0.060 0.343
document_574 421.2320 421.2320 None 0.058 0.283
document_1448 456.2910 456.2910 None 0.057 0.281
document_1743 475.2870 475.2870 None 0.057 0.274
document_1708 472.3390 472.3390 None 0.057 0.630
document_2364 516.3000 516.3000 None 0.056 0.342
document_1469 457.3110 457.3110 None 0.055 0.058
document_1866 485.2910 485.2910 None 0.054 0.274
document_4777 718.4300 718.4300 None 0.053 0.034
document_1211 441.2650 441.2650 None 0.052 0.343
document_1564 463.2760 463.2760 None 0.052 0.037
document_3642 639.3540 639.3540 None 0.051 0.343
document_3222 600.7970 600.7970 None 0.051 0.295
document_2153 498.9130 498.9130 None 0.050 0.352
document_5536 809.2360 809.2360 None 0.050 0.273

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.