Mass2Motif: motif_141

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: 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 0.9528242531824022. 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_281.0500 0.193
fragment_355.0500 0.164
fragment_223.0500 0.095
fragment_356.0500 0.058
fragment_282.0500 0.057
fragment_371.1500 0.050
fragment_357.0500 0.028
fragment_429.0500 0.023
loss_196.2500 0.021
fragment_341.0500 0.017
fragment_147.0500 0.014
fragment_267.0500 0.012
fragment_266.9500 0.012
fragment_73.0500 0.012
fragment_221.0500 0.011
fragment_362.0500 0.010
loss_171.0500 0.010
fragment_281.5500 0.009
fragment_591.3500 0.009
fragment_326.9500 0.009
fragment_272.0500 0.009
loss_18.2500 0.008
loss_180.2500 0.008
fragment_200.0500 0.007
fragment_430.0500 0.007
fragment_128.0500 0.005
fragment_371.0500 0.005
fragment_415.0500 0.004
fragment_431.0500 0.004
fragment_222.0500 0.004
fragment_251.0500 0.004
loss_17.2500 0.004
fragment_592.3500 0.004
fragment_297.0500 0.003
fragment_400.9500 0.003
fragment_182.0500 0.003
fragment_445.1500 0.003
loss_196.4500 0.003
loss_161.1500 0.003
fragment_358.0500 0.002
loss_170.5500 0.002
fragment_362.6500 0.002
loss_172.1500 0.002
fragment_267.9500 0.002
fragment_270.9500 0.002
fragment_361.0500 0.002
fragment_504.1500 0.002
fragment_200.5500 0.002
fragment_124.0500 0.002
fragment_371.9500 0.002
fragment_372.1500 0.002
fragment_417.0500 0.002
fragment_220.0500 0.002
fragment_342.0500 0.002
fragment_224.0500 0.002
fragment_388.2500 0.002
fragment_503.1500 0.002
fragment_368.1500 0.001
fragment_315.2500 0.001
fragment_272.5500 0.001
loss_116.0500 0.001
fragment_371.7500 0.001
loss_179.6500 0.001
loss_195.2500 0.001
fragment_248.9500 0.001
fragment_90.0500 0.001

Counts of Classyfire Substituent terms

Term name Count in motif Percentage in motif Percentage in experiment Absolute difference
Hydrocarbon derivative 65 100 100 0
Organooxygen compound 60 92.3 95.3 3.0
Organic nitrogen compound 29 44.6 55.6 11.0
Organonitrogen compound 29 44.6 54.1 9.5
Carbonyl group 27 41.5 44.0 2.5
Organopnictogen compound 23 35.4 45.2 9.9
Azacycle 15 23.1 22.6 0.5
Benzenoid 11 16.9 18.3 1.4
Organoheterocyclic compound 8 12.3 13.3 1.0
Aromatic heteropolycyclic compound 8 12.3 9.6 2.7
Oxacycle 5 7.7 7.9 0.2
Alcohol 4 6.2 14.7 8.5
Amine 4 6.2 4.4 1.8
Heteroaromatic compound 3 4.6 5.8 1.1
Carboxylic acid ester 1 1.5 1.8 0.3
Oxane 1 1.5 1.9 0.4
Secondary alcohol 1 1.5 7.7 6.2
Aliphatic acyclic compound 1 1.5 2.9 1.4
Carboxamide group 1 1.5 5.5 3.9

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_3307 609.6040 609.6040 None 0.933 0.581
document_2704 551.3450 551.3450 None 0.881 0.644
document_3312 610.6270 610.6270 None 0.878 0.645
document_4390 702.2090 702.2090 None 0.873 0.696
document_5291 758.2150 758.2150 None 0.849 0.571
document_3286 610.0590 610.0590 None 0.829 0.670
document_2034 497.1380 497.1380 None 0.825 0.262
document_2528 533.1520 533.1520 None 0.816 0.246
document_3478 628.1940 628.1940 None 0.804 0.711
document_3306 610.0140 610.0140 None 0.741 0.565
document_2712 551.3560 551.3560 None 0.713 0.509
document_3467 625.5760 625.5760 None 0.698 0.617
document_2731 554.1750 554.1750 None 0.628 0.672
document_2529 533.1530 533.1530 None 0.607 0.231
document_2527 533.1510 533.1510 None 0.604 0.233
document_2548 536.1930 536.1930 None 0.552 0.416
document_4115 684.0980 684.0980 None 0.538 0.700
document_3466 625.5770 625.5770 None 0.504 0.629
document_3777 651.3200 651.3200 None 0.496 0.099
document_4134 684.2010 684.2010 None 0.464 0.308
document_2370 517.1180 517.1180 None 0.445 0.254
document_2557 536.1640 536.1640 None 0.420 0.273
document_3775 651.3190 651.3190 None 0.307 0.095
document_3945 673.3200 673.3200 None 0.265 0.250
document_1771 477.2020 477.2020 None 0.253 0.250
document_2030 497.0570 497.0570 None 0.248 0.250
document_2692 551.0620 551.0620 None 0.240 0.222
document_2531 533.1520 533.1520 None 0.232 0.224
document_2331 513.1650 513.1650 None 0.221 0.250
document_2541 534.1900 534.1900 None 0.217 0.210
document_3298 609.1880 609.1880 None 0.196 0.420
document_1844 483.2280 483.2280 None 0.175 0.095
document_3310 609.3410 609.3410 None 0.162 0.313
document_2742 555.1240 555.1240 None 0.157 0.262
document_246 413.1440 413.1440 None 0.145 0.193
document_3299 609.2810 609.2810 None 0.139 0.194
document_509 419.3140 419.3140 None 0.137 0.129
document_2360 516.1410 516.1410 None 0.136 0.196
document_1160 439.2630 439.2630 None 0.134 0.050
document_1804 483.1150 483.1150 7-OH-staurosporine 0.115 0.436
document_2031 497.0680 497.0680 None 0.115 0.250
document_2306 513.0600 513.0600 None 0.107 0.250
document_3623 638.6980 638.6980 None 0.106 0.028
document_2526 533.1420 533.1420 None 0.106 0.197
document_1753 475.3790 475.3790 None 0.102 0.057
document_2304 512.7960 512.7960 None 0.099 0.250
document_258 413.1790 413.1790 None 0.093 0.205
document_2252 506.5280 506.5280 None 0.092 0.050
document_1138 437.2310 437.2310 None 0.087 0.050
document_1801 481.1880 481.1880 None 0.079 0.195
document_3309 609.3410 609.3410 None 0.077 0.366
document_2365 516.3020 516.3020 None 0.076 0.236
document_2525 533.1430 533.1430 None 0.074 0.250
document_3059 585.2910 585.2910 None 0.072 0.065
document_3776 651.4690 651.4690 None 0.068 0.099
document_140 404.1340 404.1340 None 0.067 0.095
document_2157 499.1970 499.1970 None 0.063 0.198
document_2942 571.2670 571.2670 None 0.061 0.050
document_1813 482.1250 482.1250 7-OH-staurosporine 0.061 0.271
document_1114 436.4680 436.4680 None 0.059 0.193
document_5285 757.3940 757.3940 None 0.054 0.193
document_2473 527.3170 527.3170 None 0.054 0.095
document_3027 582.2130 582.2130 None 0.052 0.261
document_1916 487.3640 487.3640 None 0.052 0.095
document_4135 684.2020 684.2020 None 0.051 0.267

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.