Mass2Motif: motif_94

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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 0.984965841836796. 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_155.0500 0.396
fragment_127.0500 0.300
fragment_271.1500 0.127
fragment_200.0500 0.094
fragment_509.2500 0.029
fragment_183.0500 0.012
fragment_169.0500 0.007
loss_171.2500 0.004
fragment_419.1500 0.003
fragment_510.2500 0.003
fragment_140.0500 0.002
fragment_436.2500 0.002
fragment_194.0500 0.001
fragment_380.7500 0.001
loss_172.2500 0.001
fragment_128.0500 0.001
fragment_97.9500 0.001

Counts of Classyfire Substituent terms

Term name Count in motif Percentage in motif Percentage in experiment Absolute difference
Hydrocarbon derivative 194 100 100 0
Organooxygen compound 185 95.4 95.3 0.0
Organic nitrogen compound 92 47.4 55.6 8.2
Organonitrogen compound 92 47.4 54.1 6.7
Organopnictogen compound 73 37.6 45.2 7.6
Carbonyl group 60 30.9 44.0 13.1
Azacycle 46 23.7 22.6 1.1
Organoheterocyclic compound 44 22.7 13.3 9.4
Heteroaromatic compound 35 18.0 5.8 12.3
Benzenoid 32 16.5 18.3 1.9
Oxacycle 31 16.0 7.9 8.1
Aromatic heteropolycyclic compound 25 12.9 9.6 3.2
Alcohol 25 12.9 14.7 1.8
Secondary alcohol 17 8.8 7.7 1.1
Carboxamide group 10 5.2 5.5 0.3
1-hydroxy-2-unsubstituted benzenoid 8 4.1 1.3 2.8
Phenol 7 3.6 0.5 3.1
1-hydroxy-4-unsubstituted benzenoid 4 2.1 0.2 1.8
Amine 4 2.1 4.4 2.3
Oxane 4 2.1 1.9 0.2
Polyol 4 2.1 1.6 0.5
Aliphatic acyclic compound 3 1.5 2.9 1.4
Acetal 3 1.5 1.5 0.1
Glycosyl compound 3 1.5 0.7 0.8
Carboxylic acid ester 3 1.5 1.8 0.3
Vinylogous acid 2 1.0 0.1 0.9
Pyran 2 1.0 0.1 0.9
O-glycosyl compound 2 1.0 1.2 0.2
1-benzopyran 1 0.5 0.1 0.4
Pyranone 1 0.5 0.0 0.5
Primary alcohol 1 0.5 0.9 0.3
Monosaccharide 1 0.5 0.1 0.5

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_3062 585.2930 585.2930 None 0.698 0.301
document_4105 683.3810 683.3810 None 0.648 0.505
document_2499 530.2040 530.2040 None 0.462 0.709
document_1414 455.3860 455.3860 None 0.462 0.701
document_3180 595.3810 595.3810 None 0.445 0.729
document_2531 533.1520 533.1520 None 0.424 0.394
document_1171 440.2490 440.2490 None 0.413 0.697
document_4915 727.4600 727.4600 None 0.395 0.705
document_3186 595.3810 595.3810 None 0.378 0.789
document_2746 555.2920 555.2920 None 0.356 0.395
document_1170 440.2500 440.2500 None 0.334 0.697
document_5713 874.4290 874.4290 None 0.328 0.697
document_1415 455.8720 455.8720 None 0.314 0.696
document_5411 771.3750 771.3750 None 0.311 0.490
document_4646 713.4450 713.4450 None 0.298 0.919
document_2748 555.2930 555.2930 None 0.290 0.396
document_2383 518.3140 518.3140 None 0.289 0.094
document_4896 727.4010 727.4010 None 0.288 0.493
document_2744 555.2920 555.2920 None 0.281 0.396
document_2384 518.3140 518.3140 None 0.277 0.093
document_2435 525.2910 525.2910 None 0.276 0.696
document_3021 581.3660 581.3660 None 0.276 0.823
document_3154 595.3560 595.3560 None 0.269 0.728
document_3162 595.3560 595.3560 None 0.264 0.437
document_3468 627.2830 627.2830 None 0.264 0.126
document_3637 639.3550 639.3550 None 0.263 0.790
document_3644 639.3850 639.3850 None 0.261 0.917
document_3669 639.4080 639.4080 None 0.257 0.406
document_3159 595.3460 595.3460 None 0.248 0.403
document_3620 638.5830 638.5830 None 0.245 0.321
document_3673 639.4070 639.4070 None 0.244 0.523
document_3168 595.3600 595.3600 None 0.236 0.331
document_2727 555.1430 555.1430 None 0.233 0.395
document_3165 595.3520 595.3520 None 0.229 0.423
document_2567 537.3400 537.3400 None 0.227 0.790
document_2204 504.2670 504.2670 None 0.227 0.307
document_2529 533.1530 533.1530 None 0.223 0.094
document_3163 595.3480 595.3480 None 0.222 0.522
document_3153 595.3630 595.3630 None 0.219 0.427
document_4118 683.4340 683.4340 None 0.218 0.824
document_3407 618.3310 618.3310 None 0.217 0.094
document_1697 472.2390 472.2390 None 0.215 0.695
document_2623 543.3530 543.3530 None 0.215 0.307
document_3692 641.4190 641.4190 None 0.214 0.127
document_2493 529.2930 529.2930 None 0.212 0.439
document_2722 553.3000 553.3000 None 0.209 0.694
document_4911 727.4600 727.4600 None 0.205 0.223
document_3178 595.3810 595.3810 None 0.205 0.490
document_2973 575.3740 575.3740 None 0.203 0.127
document_1241 442.2540 442.2540 None 0.201 0.398
document_2738 554.3060 554.3060 None 0.201 0.696
document_2747 555.2920 555.2920 None 0.200 0.395
document_3671 639.4080 639.4080 None 0.199 0.698
document_3804 655.4360 655.4360 None 0.196 0.127
document_2527 533.1510 533.1510 None 0.194 0.301
document_3164 595.3660 595.3660 None 0.188 0.394
document_3918 669.4190 669.4190 None 0.185 0.823
document_5413 771.4860 771.4860 None 0.184 0.427
document_2476 528.2710 528.2710 None 0.184 0.695
document_4916 727.4610 727.4610 None 0.183 0.523
document_3635 639.3990 639.3990 None 0.183 0.823
document_3456 625.3920 625.3920 None 0.180 0.127
document_3749 647.3540 647.3540 None 0.180 0.126
document_5712 874.4290 874.4290 None 0.179 0.397
document_3157 595.3390 595.3390 None 0.178 0.698
document_2487 530.2330 530.2330 None 0.178 0.708
document_3641 639.3700 639.3700 None 0.177 0.304
document_4102 683.4170 683.4170 None 0.175 0.493
document_2375 517.3030 517.3030 None 0.174 0.301
document_2797 561.2540 561.2540 None 0.173 0.399
document_3187 595.3810 595.3810 None 0.171 0.406
document_2393 520.2400 520.2400 None 0.168 0.300
document_2263 507.2980 507.2980 None 0.165 0.396
document_2700 551.3060 551.3060 None 0.164 0.300
document_502 420.3750 420.3750 None 0.164 0.408
document_3662 639.4070 639.4070 None 0.163 0.823
document_2697 551.3430 551.3430 None 0.162 0.300
document_3518 631.8200 631.8200 None 0.158 0.696
document_3457 625.3930 625.3930 None 0.156 0.790
document_1403 453.2030 453.2030 None 0.147 0.694
document_1972 492.2550 492.2550 None 0.145 0.134
document_1583 463.3010 463.3010 None 0.138 0.304
document_4097 683.4200 683.4200 None 0.135 0.223
document_3634 639.3570 639.3570 None 0.135 0.128
document_3098 589.3900 589.3900 None 0.133 0.127
document_2745 555.2920 555.2920 None 0.133 0.396
document_4994 733.3240 733.3240 None 0.130 0.396
document_486 419.2780 419.2780 None 0.128 0.396
document_1143 437.2350 437.2350 None 0.127 0.396
document_1490 458.2580 458.2580 None 0.127 0.396
document_3840 661.2850 661.2850 None 0.126 0.696
document_2698 551.3340 551.3340 None 0.126 0.394
document_3631 639.3970 639.3970 None 0.126 0.823
document_2749 555.2930 555.2930 None 0.125 0.395
document_2631 545.2910 545.2910 None 0.120 0.522
document_3609 638.2670 638.2670 None 0.119 0.396
document_2018 496.2630 496.2630 None 0.118 0.392
document_1643 468.2800 468.2800 None 0.117 0.695
document_1446 456.2700 456.2700 None 0.111 0.396
document_2320 514.2200 514.2200 None 0.111 0.694
document_2710 551.3550 551.3550 None 0.110 0.396
document_3639 639.3470 639.3470 None 0.110 0.302
document_1068 433.2910 433.2910 None 0.109 0.300
document_2711 551.3550 551.3550 None 0.109 0.523
document_2537 533.3360 533.3360 None 0.108 0.396
document_2806 561.9840 561.9840 None 0.108 0.301
document_3253 603.2780 603.2780 None 0.107 0.300
document_1701 472.2780 472.2780 None 0.106 0.300
document_5446 781.8930 781.8930 None 0.104 0.833
document_3254 603.2820 603.2820 None 0.103 0.696
document_4124 683.4340 683.4340 None 0.102 0.525
document_1369 450.2550 450.2550 None 0.102 0.125
document_5814 956.3420 956.3420 None 0.102 0.703
document_3663 639.4080 639.4080 None 0.101 0.300
document_2564 537.2990 537.2990 None 0.101 0.702
document_3651 639.3270 639.3270 None 0.101 0.343
document_2699 551.3180 551.3180 None 0.101 0.394
document_4834 720.5170 720.5170 None 0.100 0.396
document_3257 603.6970 603.6970 None 0.100 0.695
document_1078 435.2110 435.2110 None 0.098 0.396
document_1084 435.2110 435.2110 None 0.097 0.398
document_2646 546.2990 546.2990 None 0.096 0.408
document_1392 452.3180 452.3180 None 0.096 0.396
document_3142 592.7360 592.7360 None 0.094 0.696
document_5465 787.3770 787.3770 None 0.089 0.696
document_197 408.7530 408.7530 None 0.087 0.397
document_4103 683.3910 683.3910 None 0.086 0.300
document_1268 443.2390 443.2390 None 0.085 0.094
document_3488 629.2160 629.2160 None 0.084 0.299
document_3677 639.4080 639.4080 None 0.084 0.300
document_3843 661.3160 661.3160 None 0.083 0.395
document_4502 704.3570 704.3570 None 0.083 0.300
document_274 413.2140 413.2140 None 0.082 0.398
document_2538 533.3360 533.3360 None 0.082 0.396
document_672 423.1990 423.1990 None 0.082 0.396
document_1025 431.3100 431.3100 None 0.082 0.127
document_406 415.3010 415.3010 None 0.082 0.300
document_1297 443.3310 443.3310 None 0.081 0.094
document_759 429.1720 429.1720 None 0.080 0.396
document_1729 473.3440 473.3440 None 0.079 0.129
document_2494 529.3110 529.3110 None 0.078 0.127
document_2640 545.8660 545.8660 None 0.077 0.702
document_461 419.4870 419.4870 None 0.076 0.398
document_4570 708.5160 708.5160 None 0.076 0.127
document_4917 727.4610 727.4610 None 0.076 0.397
document_265 413.2010 413.2010 None 0.076 0.300
document_4122 683.4340 683.4340 None 0.076 0.398
document_1413 456.2160 456.2160 None 0.076 0.695
document_5784 931.4360 931.4360 None 0.075 0.396
document_1702 472.2780 472.2780 None 0.075 0.398
document_2382 518.2820 518.2820 None 0.073 0.300
document_4099 683.4190 683.4190 None 0.073 0.525
document_2440 528.8510 528.8510 None 0.071 0.693
document_2518 532.2590 532.2590 None 0.071 0.300
document_821 429.2460 429.2460 None 0.071 0.127
document_1695 472.2410 472.2410 None 0.070 0.396
document_4101 683.3950 683.3950 None 0.070 0.396
document_4089 682.3740 682.3740 None 0.069 0.396
document_2453 527.6210 527.6210 None 0.069 0.299
document_3517 631.5020 631.5020 None 0.068 0.300
document_3720 645.2410 645.2410 None 0.066 0.126
document_2475 528.2640 528.2640 None 0.066 0.490
document_195 408.1940 408.1940 None 0.066 0.299
document_4893 727.4230 727.4230 None 0.065 0.823
document_4100 683.4160 683.4160 None 0.064 0.441
document_3182 595.3810 595.3810 None 0.064 0.300
document_1660 468.7450 468.7450 None 0.064 0.691
document_399 416.8040 416.8040 None 0.064 0.300
document_4088 682.3750 682.3750 None 0.063 0.300
document_3622 638.4570 638.4570 None 0.063 0.300
document_2566 537.3400 537.3400 None 0.062 0.300
document_4302 692.4180 692.4180 None 0.061 0.396
document_1361 449.2870 449.2870 None 0.061 0.300
document_2498 530.2430 530.2430 None 0.060 0.299
document_2216 505.2320 505.2320 None 0.060 0.523
document_2894 566.8900 566.8900 None 0.060 0.396
document_1601 464.3860 464.3860 None 0.058 0.396
document_1325 445.3260 445.3260 None 0.058 0.427
document_5288 757.4710 757.4710 None 0.058 0.429
document_36 401.2070 401.2070 None 0.057 0.426
document_5488 794.3720 794.3720 None 0.057 0.697
document_1080 435.2110 435.2110 None 0.057 0.395
document_1592 463.3020 463.3020 None 0.055 0.300
document_3630 639.3930 639.3930 None 0.055 0.523
document_1280 443.2990 443.2990 None 0.054 0.094
document_2915 568.2950 568.2950 None 0.054 0.396
document_314 413.9000 413.9000 None 0.053 0.139
document_3446 624.2170 624.2170 None 0.053 0.300
document_1239 442.1810 442.1810 None 0.053 0.094
document_1286 443.8120 443.8120 None 0.052 0.300
document_415 418.0490 418.0490 None 0.052 0.094
document_3977 677.4100 677.4100 Lomaiviticin D 0.051 0.300
document_3931 671.4940 671.4940 None 0.051 0.396
document_1616 466.2910 466.2910 None 0.050 0.094

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.