Mass2Motif: motif_161

Return to experiment crusemann

Mass2Motif Annotation

The following are the full annotation and the short annotation (used for network visualisation) assigned to this Mass2Motif.

Annotation: 120 and 146 mass fragments - peptidic? (120 could be Phe fragment)

Short Annotation: 120 and 146 mass fragments - peptidic? (120 could be Phe fragment)

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 0.9710594024738635. 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_120.0500 0.833
fragment_146.0500 0.049
fragment_121.0500 0.009
fragment_103.0500 0.009
fragment_949.9500 0.007
fragment_168.1500 0.006
fragment_949.4500 0.005
fragment_479.2500 0.005
fragment_521.2500 0.004
fragment_247.3500 0.004
fragment_424.6500 0.004
fragment_473.1500 0.004
fragment_537.2500 0.004
fragment_592.2500 0.004
loss_79.0500 0.004
fragment_538.2500 0.003
fragment_232.1500 0.003
fragment_950.4500 0.002
fragment_75.0500 0.002
fragment_554.2500 0.002
fragment_246.1500 0.002
fragment_849.4500 0.001
fragment_77.0500 0.001
fragment_143.5500 0.001
loss_128.0500 0.001

Counts of Classyfire Substituent terms

Term name Count in motif Percentage in motif Percentage in experiment Absolute difference
Hydrocarbon derivative 162 100 100 0
Organooxygen compound 158 97.5 95.3 2.2
Organic nitrogen compound 151 93.2 55.6 37.6
Organonitrogen compound 148 91.4 54.1 37.2
Organopnictogen compound 137 84.6 45.2 39.3
Carbonyl group 114 70.4 44.0 26.3
Azacycle 83 51.2 22.6 28.6
Carboxamide group 32 19.8 5.5 14.3
Organoheterocyclic compound 25 15.4 13.3 2.1
Amine 21 13.0 4.4 8.6
Benzenoid 14 8.6 18.3 9.7
Alcohol 10 6.2 14.7 8.5
Secondary alcohol 7 4.3 7.7 3.4
Oxacycle 5 3.1 7.9 4.8
Heteroaromatic compound 5 3.1 5.8 2.7
Aromatic heteropolycyclic compound 3 1.9 9.6 7.8
Aliphatic acyclic compound 3 1.9 2.9 1.1
Carboxylic acid ester 3 1.9 1.8 0.0
Primary amine 3 1.9 0.5 1.4
Primary alcohol 2 1.2 0.9 0.4
Oxane 1 0.6 1.9 1.3
Polyol 1 0.6 1.6 1.0
Acetal 1 0.6 1.5 0.8
Aromatic homomonocyclic compound 1 0.6 0.1 0.6

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_2918 568.8530 568.8530 None 0.789 0.896
document_2720 556.5570 556.5570 None 0.780 0.896
document_2992 577.3030 577.3030 None 0.775 0.896
document_2715 555.9630 555.9630 None 0.755 0.887
document_2644 547.0900 547.0900 None 0.742 0.887
document_674 423.2030 423.2030 None 0.714 0.891
document_685 424.2590 424.2590 None 0.641 0.848
document_226 410.2360 410.2360 None 0.610 0.846
document_671 423.1190 423.1190 None 0.581 0.882
document_5417 774.6790 774.6790 None 0.531 0.848
document_3927 671.2890 671.2890 None 0.498 0.044
document_1535 461.7260 461.7260 None 0.494 0.841
document_1385 451.2270 451.2270 None 0.484 0.851
document_2627 545.1060 545.1060 None 0.462 0.882
document_2789 560.2900 560.2900 None 0.443 0.891
document_2422 523.2770 523.2770 None 0.438 0.842
document_684 424.2440 424.2440 None 0.433 0.837
document_2818 563.2880 563.2880 None 0.425 0.891
document_2913 568.5230 568.5230 None 0.424 0.894
document_2768 557.2890 557.2890 None 0.419 0.882
document_1342 447.2580 447.2580 None 0.418 0.833
document_194 408.2080 408.2080 None 0.391 0.851
document_2606 541.3020 541.3020 None 0.382 0.842
document_1755 478.2090 478.2090 None 0.364 0.842
document_2827 564.2840 564.2840 None 0.359 0.881
document_2267 508.1140 508.1140 None 0.353 0.842
document_1144 437.2360 437.2360 None 0.329 0.835
document_202 408.9060 408.9060 None 0.324 0.842
document_2279 508.2010 508.2010 None 0.314 0.852
document_2561 537.2370 537.2370 None 0.306 0.829
document_673 423.2020 423.2020 Sevadicin 0.298 0.843
document_1785 478.2330 478.2330 None 0.295 0.832
document_214 409.3580 409.3580 None 0.267 0.835
document_902 430.7190 430.7190 None 0.266 0.840
document_1670 469.2440 469.2440 None 0.264 0.849
document_1907 487.8990 487.8990 None 0.256 0.842
document_5904 1109.5770 1109.5770 None 0.250 0.834
document_2280 508.1990 508.1990 None 0.229 0.842
document_2215 505.6530 505.6530 None 0.222 0.832
document_2218 505.9940 505.9940 None 0.218 0.834
document_2602 542.1270 542.1270 None 0.214 0.839
document_2661 547.2920 547.2920 None 0.213 0.881
document_2281 508.2020 508.2020 None 0.205 0.833
document_1531 465.1650 465.1650 None 0.204 0.831
document_903 430.7190 430.7190 None 0.203 0.831
document_84 401.2850 401.2850 None 0.196 0.831
document_2714 552.2860 552.2860 None 0.195 0.833
document_1607 465.2400 465.2400 None 0.188 0.832
document_168 407.9420 407.9420 None 0.183 0.828
document_1517 461.5380 461.5380 None 0.181 0.832
document_388 415.1720 415.1720 None 0.180 0.829
document_1139 437.2400 437.2400 None 0.174 0.832
document_2451 526.8940 526.8940 None 0.170 0.842
document_537 421.2090 421.2090 None 0.169 0.832
document_3985 678.2970 678.2970 None 0.168 0.832
document_1150 437.9640 437.9640 None 0.167 0.843
document_2175 500.3600 500.3600 None 0.167 0.833
document_424 417.7210 417.7210 None 0.163 0.835
document_3622 638.4570 638.4570 None 0.160 0.832
document_180 407.8670 407.8670 None 0.157 0.831
document_2222 505.3370 505.3370 None 0.156 0.840
document_2317 512.2500 512.2500 None 0.155 0.832
document_2978 576.3200 576.3200 None 0.154 0.832
document_186 408.4920 408.4920 None 0.152 0.828
document_1690 471.2800 471.2800 None 0.152 0.832
document_2453 527.6210 527.6210 None 0.146 0.840
document_2559 536.7790 536.7790 None 0.146 0.836
document_143 404.2270 404.2270 None 0.144 0.833
document_3440 622.3220 622.3220 None 0.143 0.836
document_3026 584.2700 584.2700 None 0.142 0.841
document_3923 671.1420 671.1420 None 0.141 0.836
document_3132 591.2460 591.2460 None 0.140 0.831
document_247 412.9700 412.9700 None 0.139 0.832
document_3788 652.5800 652.5800 None 0.137 0.841
document_178 407.1940 407.1940 None 0.134 0.832
document_3257 603.6970 603.6970 None 0.133 0.831
document_1794 479.2500 479.2500 None 0.133 0.833
document_2043 497.3840 497.3840 None 0.132 0.840
document_3413 619.3310 619.3310 None 0.132 0.836
document_2266 507.3000 507.3000 None 0.129 0.832
document_3077 587.2850 587.2850 None 0.127 0.832
document_4498 704.3280 704.3280 None 0.127 0.833
document_3439 622.3110 622.3110 None 0.127 0.826
document_2754 556.2920 556.2920 None 0.126 0.833
document_1795 479.2640 479.2640 None 0.123 0.832
document_1610 466.1990 466.1990 None 0.122 0.833
document_1608 465.2380 465.2380 None 0.122 0.830
document_1175 441.1180 441.1180 None 0.120 0.826
document_3836 661.2800 661.2800 None 0.116 0.832
document_1337 447.2060 447.2060 None 0.115 0.832
document_2465 527.2960 527.2960 None 0.114 0.831
document_1603 465.2010 465.2010 None 0.112 0.842
document_1606 465.2330 465.2330 None 0.112 0.832
document_2193 504.4820 504.4820 None 0.110 0.823
document_3446 624.2170 624.2170 None 0.109 0.833
document_1998 495.2410 495.2410 None 0.109 0.832
document_2443 525.3070 525.3070 None 0.107 0.830
document_538 421.2120 421.2120 None 0.107 0.841
document_4906 727.4000 727.4000 None 0.106 0.831
document_5733 889.3860 889.3860 None 0.105 0.832
document_3206 598.2690 598.2690 None 0.104 0.841
document_1758 476.5910 476.5910 None 0.104 0.828
document_3481 628.3090 628.3090 None 0.098 0.825
document_2607 541.3010 541.3010 None 0.096 0.830
document_5466 787.3980 787.3980 None 0.096 0.832
document_1825 482.1830 482.1830 None 0.095 0.832
document_1775 477.2690 477.2690 None 0.095 0.831
document_1578 463.2920 463.2920 None 0.095 0.825
document_1483 458.0550 458.0550 None 0.091 0.833
document_5459 785.3090 785.3090 None 0.091 0.833
document_1217 441.3000 441.3000 None 0.091 0.830
document_1926 489.7330 489.7330 None 0.088 0.832
document_3296 608.7020 608.7020 None 0.087 0.881
document_3048 584.3080 584.3080 None 0.086 0.832
document_1320 445.2660 445.2660 None 0.085 0.833
document_1323 447.6760 447.6760 None 0.082 0.830
document_1830 482.1840 482.1840 None 0.082 0.842
document_2684 550.2740 550.2740 None 0.082 0.831
document_2577 539.1700 539.1700 None 0.081 0.833
document_1900 487.7120 487.7120 None 0.079 0.830
document_1964 491.3220 491.3220 None 0.079 0.832
document_235 411.1420 411.1420 None 0.079 0.833
document_5686 862.7510 862.7510 None 0.078 0.833
document_246 413.1440 413.1440 None 0.076 0.831
document_696 425.1920 425.1920 None 0.075 0.827
document_187 408.7760 408.7760 None 0.074 0.835
document_1339 448.2320 448.2320 None 0.074 0.832
document_737 427.1970 427.1970 None 0.072 0.833
document_2487 530.2330 530.2330 None 0.071 0.832
document_2901 567.2590 567.2590 None 0.071 0.826
document_1782 477.8190 477.8190 None 0.071 0.830
document_695 425.1940 425.1940 None 0.068 0.832
document_799 429.1920 429.1920 None 0.068 0.831
document_1276 445.9460 445.9460 None 0.068 0.830
document_1905 489.3830 489.3830 None 0.067 0.830
document_177 407.1940 407.1940 None 0.066 0.833
document_64 401.2470 401.2470 None 0.066 0.833
document_216 409.1840 409.1840 None 0.066 0.829
document_1286 443.8120 443.8120 None 0.064 0.829
document_1770 477.2680 477.2680 None 0.064 0.836
document_5907 1123.0430 1123.0430 None 0.064 0.833
document_461 419.4870 419.4870 None 0.064 0.831
document_3151 594.8230 594.8230 None 0.062 0.829
document_1640 467.8060 467.8060 None 0.062 0.831
document_1114 436.4680 436.4680 None 0.060 0.833
document_5457 785.0820 785.0820 None 0.060 0.832
document_2425 523.2910 523.2910 None 0.058 0.832
document_2395 520.4220 520.4220 None 0.058 0.832
document_5019 735.3180 735.3180 None 0.057 0.824
document_2604 541.2480 541.2480 None 0.056 0.831
document_1069 433.7760 433.7760 None 0.056 0.829
document_1526 461.1600 461.1600 None 0.055 0.833
document_1457 457.2640 457.2640 None 0.055 0.830
document_2261 507.2570 507.2570 None 0.054 0.836
document_291 413.2310 413.2310 None 0.054 0.826
document_1126 437.2200 437.2200 None 0.054 0.833
document_3621 638.3170 638.3170 None 0.054 0.830
document_1550 463.1520 463.1520 None 0.053 0.826
document_5481 794.7160 794.7160 None 0.052 0.832
document_5666 846.9020 846.9020 None 0.052 0.832
document_97 402.1960 402.1960 None 0.051 0.829
document_5788 931.4520 931.4520 None 0.051 0.836

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.