Mass2Motif: motif_248

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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 0.9475702657502703. 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_189.0500 0.429
fragment_235.0500 0.088
fragment_197.1500 0.072
fragment_103.0500 0.071
fragment_269.0500 0.028
fragment_190.0500 0.027
fragment_145.0500 0.017
fragment_326.2500 0.017
fragment_154.9500 0.012
fragment_729.3500 0.006
fragment_140.1500 0.006
fragment_212.1500 0.006
fragment_363.0500 0.006
loss_80.1500 0.005
loss_177.0500 0.005
fragment_296.1500 0.005
fragment_879.1500 0.005
fragment_489.2500 0.005
fragment_460.2500 0.005
loss_82.9500 0.005
fragment_266.2500 0.004
fragment_541.2500 0.004
fragment_216.1500 0.004
fragment_238.0500 0.004
loss_67.5500 0.004
fragment_268.5500 0.003
loss_152.7500 0.003
fragment_898.4500 0.003
loss_179.1500 0.003
fragment_204.0500 0.003
loss_195.8500 0.003
fragment_488.2500 0.003
loss_193.9500 0.003
loss_81.9500 0.003
loss_148.5500 0.003
loss_79.5500 0.002
fragment_897.3500 0.002
loss_67.1500 0.002
fragment_957.9500 0.002
fragment_682.2500 0.002
fragment_669.8500 0.002
fragment_513.3500 0.002
fragment_667.3500 0.002
fragment_198.0500 0.002
loss_115.0500 0.002
fragment_351.6500 0.002
loss_91.5500 0.002
fragment_129.2500 0.002
fragment_641.7500 0.002
loss_107.5500 0.002
fragment_730.3500 0.002
fragment_306.2500 0.002
fragment_509.7500 0.002
loss_196.1500 0.002
fragment_180.9500 0.002
fragment_356.1500 0.002
fragment_873.3500 0.002
fragment_161.0500 0.002
fragment_90.0500 0.002
fragment_270.0500 0.002
loss_33.0500 0.002
fragment_546.7500 0.001
fragment_305.2500 0.001
fragment_255.4500 0.001
fragment_346.9500 0.001
loss_96.3500 0.001
fragment_85.0500 0.001
fragment_563.2500 0.001
fragment_328.1500 0.001
fragment_824.3500 0.001
fragment_281.4500 0.001
loss_161.7500 0.001
fragment_131.0500 0.001
fragment_564.7500 0.001
loss_184.5500 0.001
loss_166.1500 0.001
fragment_216.0500 0.001
fragment_309.0500 0.001
loss_118.1500 0.001
fragment_584.3500 0.001
fragment_309.1500 0.001
fragment_683.2500 0.001

Counts of Classyfire Substituent terms

Term name Count in motif Percentage in motif Percentage in experiment Absolute difference
Hydrocarbon derivative 83 100 100 0
Organooxygen compound 80 96.4 95.3 1.1
Organonitrogen compound 53 63.9 54.1 9.7
Organic nitrogen compound 50 60.2 55.6 4.6
Organopnictogen compound 44 53.0 45.2 7.8
Azacycle 31 37.3 22.6 14.7
Carbonyl group 31 37.3 44.0 6.7
Benzenoid 25 30.1 18.3 11.8
Aromatic heteropolycyclic compound 14 16.9 9.6 7.2
Organoheterocyclic compound 13 15.7 13.3 2.3
Carboxamide group 10 12.0 5.5 6.6
Heteroaromatic compound 8 9.6 5.8 3.9
Alcohol 6 7.2 14.7 7.4
Oxacycle 6 7.2 7.9 0.7
Secondary alcohol 5 6.0 7.7 1.7
Carboxylic acid ester 2 2.4 1.8 0.6
Amine 2 2.4 4.4 2.0
Aliphatic acyclic compound 1 1.2 2.9 1.7
Oxane 1 1.2 1.9 0.7
O-glycosyl compound 1 1.2 1.2 0.0
Polyol 1 1.2 1.6 0.4
Acetal 1 1.2 1.5 0.2

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_2356 516.1410 516.1410 None 0.909 0.539
document_2357 516.1410 516.1410 None 0.856 0.563
document_4497 704.3270 704.3270 None 0.777 0.458
document_1272 443.2540 443.2540 None 0.768 0.595
document_2359 516.1410 516.1410 None 0.689 0.576
document_2360 516.1410 516.1410 None 0.685 0.606
document_3297 608.7780 608.7780 None 0.585 0.486
document_1678 470.2260 470.2260 None 0.480 0.458
document_5243 749.3460 749.3460 None 0.450 0.124
document_1217 441.3000 441.3000 None 0.445 0.086
document_1464 457.3020 457.3020 None 0.426 0.097
document_1262 443.2370 443.2370 None 0.406 0.130
document_2358 516.1400 516.1400 None 0.401 0.525
document_3010 579.7540 579.7540 None 0.401 0.455
document_609 421.2320 421.2320 None 0.395 0.512
document_1220 443.0070 443.0070 None 0.351 0.524
document_1271 443.2470 443.2470 None 0.332 0.129
document_3011 579.7560 579.7560 None 0.324 0.477
document_1261 443.2420 443.2420 None 0.284 0.136
document_1143 437.2350 437.2350 None 0.221 0.429
document_1436 456.8190 456.8190 None 0.207 0.429
document_152 405.6540 405.6540 None 0.192 0.500
document_824 429.2460 429.2460 None 0.176 0.520
document_1 299.9970 299.9970 None 0.169 0.449
document_1516 460.1830 460.1830 None 0.169 0.196
document_1269 443.2390 443.2390 None 0.155 0.117
document_363 413.2680 413.2680 None 0.151 0.435
document_341 413.2560 413.2560 None 0.148 0.461
document_618 421.2320 421.2320 None 0.142 0.501
document_1263 443.2390 443.2390 None 0.138 0.126
document_1264 443.2370 443.2370 None 0.135 0.117
document_1510 459.3180 459.3180 None 0.131 0.089
document_822 429.2460 429.2460 None 0.129 0.431
document_1494 458.2980 458.2980 None 0.127 0.072
document_5807 947.4480 947.4480 None 0.120 0.434
document_3296 608.7020 608.7020 None 0.116 0.433
document_5910 1141.4390 1141.4390 None 0.115 0.072
document_823 429.2460 429.2460 None 0.113 0.448
document_3378 614.3490 614.3490 None 0.113 0.502
document_1116 437.1160 437.1160 None 0.112 0.475
document_1202 441.2220 441.2220 None 0.112 0.429
document_806 429.2450 429.2450 None 0.110 0.519
document_215 409.1860 409.1860 None 0.107 0.429
document_340 413.2540 413.2540 None 0.107 0.429
document_1380 453.1130 453.1130 None 0.104 0.448
document_1414 455.3860 455.3860 None 0.098 0.429
document_5784 931.4360 931.4360 None 0.096 0.429
document_1389 452.1850 452.1850 None 0.096 0.462
document_812 429.2430 429.2430 None 0.096 0.431
document_301 413.2170 413.2170 None 0.094 0.429
document_1540 462.5790 462.5790 None 0.094 0.456
document_1046 433.2620 433.2620 None 0.093 0.429
document_4502 704.3570 704.3570 None 0.093 0.501
document_3970 676.2030 676.2030 None 0.092 0.088
document_1660 468.7450 468.7450 None 0.089 0.427
document_412 416.3510 416.3510 None 0.089 0.072
document_1245 442.6190 442.6190 None 0.086 0.125
document_820 429.2460 429.2460 None 0.082 0.507
document_2660 547.2130 547.2130 None 0.082 0.429
document_34 401.2010 401.2010 None 0.078 0.502
document_3420 619.7660 619.7660 None 0.077 0.429
document_336 413.2420 413.2420 None 0.076 0.430
document_299 413.2250 413.2250 None 0.076 0.429
document_178 407.1940 407.1940 None 0.075 0.072
document_3222 600.7970 600.7970 None 0.074 0.429
document_5712 874.4290 874.4290 None 0.073 0.429
document_276 413.2220 413.2220 None 0.073 0.429
document_2774 557.3280 557.3280 None 0.072 0.429
document_142 404.1360 404.1360 None 0.071 0.074
document_1164 439.2910 439.2910 None 0.069 0.018
document_619 421.2320 421.2320 None 0.064 0.429
document_2050 497.3050 497.3050 None 0.063 0.429
document_1268 443.2390 443.2390 None 0.062 0.457
document_708 427.1680 427.1680 None 0.061 0.429
document_2063 497.8090 497.8090 None 0.061 0.161
document_1276 445.9460 445.9460 None 0.060 0.429
document_1018 431.2500 431.2500 None 0.059 0.091
document_399 416.8040 416.8040 None 0.058 0.429
document_3484 628.3720 628.3720 None 0.056 0.088
document_2004 495.2690 495.2690 None 0.055 0.072
document_1117 437.1090 437.1090 None 0.054 0.430
document_281 413.2150 413.2150 None 0.054 0.429
document_282 413.2200 413.2200 None 0.051 0.442

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.