Mass2Motif: motif_228

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 0.9720685347399904. 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_191.0500 0.195
loss_92.0500 0.139
fragment_351.1500 0.089
loss_122.0500 0.081
fragment_411.1500 0.079
loss_90.0500 0.063
fragment_563.2500 0.046
loss_124.0500 0.035
fragment_412.1500 0.019
fragment_595.2500 0.017
fragment_383.1500 0.017
fragment_349.1500 0.015
loss_91.0500 0.013
fragment_707.2500 0.012
fragment_53.4500 0.012
loss_152.0500 0.011
loss_121.0500 0.008
fragment_352.1500 0.007
fragment_564.2500 0.007
fragment_379.1500 0.006
fragment_64.9500 0.005
fragment_267.1500 0.005
fragment_647.2500 0.005
fragment_96.0500 0.004
loss_196.1500 0.004
fragment_689.2500 0.003
loss_168.2500 0.003
fragment_262.0500 0.003
fragment_319.1500 0.003
fragment_441.2500 0.003
loss_99.9500 0.003
fragment_596.2500 0.003
loss_135.0500 0.003
fragment_76.8500 0.003
fragment_288.9500 0.002
fragment_261.1500 0.002
loss_107.1500 0.002
fragment_87.1500 0.002
fragment_217.0500 0.002
fragment_534.2500 0.002
fragment_122.3500 0.002
loss_191.8500 0.002
fragment_433.4500 0.002
fragment_412.2500 0.002
fragment_371.5500 0.002
loss_59.0500 0.002
fragment_65.5500 0.002
fragment_369.8500 0.002
fragment_137.3500 0.002
fragment_489.0500 0.002
fragment_414.8500 0.002
fragment_436.7500 0.002
fragment_191.1500 0.002
fragment_514.2500 0.002
fragment_250.0500 0.002
loss_156.1500 0.001
loss_30.9500 0.001
fragment_442.2500 0.001
fragment_262.1500 0.001
fragment_469.9500 0.001
loss_184.0500 0.001
fragment_365.8500 0.001
loss_103.9500 0.001

Counts of Classyfire Substituent terms

Term name Count in motif Percentage in motif Percentage in experiment Absolute difference
Hydrocarbon derivative 48 100 100 0
Organooxygen compound 44 91.7 95.3 3.7
Benzenoid 21 43.8 18.3 25.4
Organic nitrogen compound 18 37.5 55.6 18.1
Organonitrogen compound 18 37.5 54.1 16.6
Carbonyl group 11 22.9 44.0 21.1
Organopnictogen compound 11 22.9 45.2 22.3
Alcohol 9 18.8 14.7 4.1
Aromatic heteropolycyclic compound 9 18.8 9.6 9.1
Azacycle 7 14.6 22.6 8.0
Oxacycle 6 12.5 7.9 4.6
Secondary alcohol 4 8.3 7.7 0.6
Organoheterocyclic compound 4 8.3 13.3 5.0
Heteroaromatic compound 4 8.3 5.8 2.6
Primary alcohol 1 2.1 0.9 1.2
Oxane 1 2.1 1.9 0.2
Polyol 1 2.1 1.6 0.5
1-hydroxy-2-unsubstituted benzenoid 1 2.1 1.3 0.8
Vinylogous acid 1 2.1 0.1 2.0
Amine 1 2.1 4.4 2.3

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_1712 473.2300 473.2300 None 0.870 0.420
document_3802 655.3220 655.3220 None 0.801 0.278
document_1713 473.2300 473.2300 None 0.584 0.286
document_2194 503.2430 503.2430 None 0.575 0.541
document_1711 473.2300 473.2300 None 0.574 0.503
document_1709 473.2310 473.2310 None 0.514 0.451
document_5099 739.2870 739.2870 None 0.508 0.177
document_3454 625.3110 625.3110 None 0.445 0.056
document_3453 625.3120 625.3120 None 0.359 0.070
document_1717 473.2320 473.2320 None 0.330 0.250
document_1710 473.2320 473.2320 None 0.322 0.457
document_57 401.2470 401.2470 None 0.304 0.205
document_1716 473.2310 473.2310 None 0.284 0.170
document_1718 473.2320 473.2320 None 0.278 0.391
document_5905 1112.6300 1112.6300 None 0.264 0.063
document_61 401.2480 401.2480 None 0.258 0.201
document_3452 625.3120 625.3120 None 0.230 0.054
document_59 401.2470 401.2470 None 0.192 0.199
document_1327 446.1440 446.1440 None 0.162 0.094
document_64 401.2470 401.2470 None 0.159 0.204
document_1251 443.2210 443.2210 None 0.143 0.228
document_1268 443.2390 443.2390 None 0.141 0.228
document_49 401.2470 401.2470 None 0.139 0.195
document_48 401.2490 401.2490 None 0.138 0.280
document_47 401.2470 401.2470 None 0.125 0.199
document_346 414.3930 414.3930 None 0.122 0.195
document_60 401.2470 401.2470 None 0.121 0.195
document_2769 557.3260 557.3260 None 0.117 0.223
document_385 415.1240 415.1240 None 0.113 0.195
document_736 427.1930 427.1930 None 0.108 0.068
document_2531 533.1520 533.1520 None 0.108 0.195
document_354 415.0580 415.0580 None 0.105 0.199
document_65 401.2470 401.2470 None 0.102 0.195
document_1257 443.2220 443.2220 None 0.100 0.266
document_355 413.7470 413.7470 None 0.099 0.195
document_683 424.1720 424.1720 None 0.097 0.046
document_58 401.2470 401.2470 None 0.092 0.199
document_1661 469.1690 469.1690 None 0.086 0.195
document_802 429.2090 429.2090 None 0.081 0.138
document_1526 461.1600 461.1600 None 0.080 0.151
document_386 415.1240 415.1240 None 0.073 0.195
document_2528 533.1520 533.1520 None 0.062 0.197
document_1191 440.7300 440.7300 None 0.061 0.096
document_3535 634.2640 634.2640 None 0.056 0.279
document_574 421.2320 421.2320 None 0.056 0.081
document_1121 437.2220 437.2220 None 0.053 0.196
document_2298 511.2070 511.2070 None 0.052 0.063
document_2527 533.1510 533.1510 None 0.051 0.195

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.