Mass2Motif: motif_149

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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 0.9586086181354481. 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_128.1500 0.162
fragment_273.0500 0.159
loss_133.0500 0.107
fragment_303.1500 0.093
fragment_304.1500 0.044
loss_120.0500 0.044
fragment_487.2500 0.041
loss_66.0500 0.022
fragment_274.0500 0.020
fragment_152.9500 0.017
loss_150.2500 0.015
fragment_509.2500 0.015
fragment_987.3500 0.015
fragment_988.3500 0.011
fragment_340.1500 0.010
fragment_523.5500 0.010
loss_51.7500 0.010
fragment_221.1500 0.009
loss_83.0500 0.008
fragment_260.9500 0.007
fragment_357.2500 0.007
fragment_488.3500 0.007
fragment_385.2500 0.006
fragment_679.2500 0.006
loss_179.0500 0.005
fragment_168.1500 0.005
fragment_396.1500 0.005
fragment_989.3500 0.004
fragment_548.7500 0.003
loss_26.5500 0.003
fragment_164.1500 0.003
fragment_481.7500 0.003
loss_93.5500 0.003
fragment_736.7500 0.003
fragment_180.4500 0.003
loss_192.0500 0.003
fragment_472.6500 0.003
loss_102.5500 0.003
fragment_230.1500 0.003
fragment_703.0500 0.003
fragment_424.6500 0.003
fragment_262.0500 0.003
fragment_679.7500 0.003
fragment_309.1500 0.003
fragment_386.2500 0.003
loss_194.0500 0.003
fragment_522.8500 0.003
loss_52.3500 0.003
fragment_169.9500 0.003
loss_171.9500 0.002
loss_150.6500 0.002
fragment_169.0500 0.002
fragment_357.1500 0.002
fragment_199.9500 0.002
loss_177.1500 0.002
fragment_187.0500 0.002
fragment_307.1500 0.002
fragment_222.1500 0.002
fragment_165.9500 0.002
fragment_309.0500 0.002
loss_129.6500 0.002
fragment_293.5500 0.002
fragment_227.0500 0.002
fragment_352.2500 0.001
fragment_373.2500 0.001
fragment_288.1500 0.001
loss_128.0500 0.001
fragment_990.3500 0.001
loss_71.0500 0.001
fragment_474.1500 0.001

Counts of Classyfire Substituent terms

Term name Count in motif Percentage in motif Percentage in experiment Absolute difference
Hydrocarbon derivative 47 100 100 0
Organooxygen compound 47 100 95.3 4.7
Organic nitrogen compound 25 53.2 55.6 2.4
Organonitrogen compound 22 46.8 54.1 7.3
Organopnictogen compound 18 38.3 45.2 6.9
Carbonyl group 16 34.0 44.0 10.0
Organoheterocyclic compound 6 12.8 13.3 0.6
Azacycle 6 12.8 22.6 9.8
Aromatic heteropolycyclic compound 6 12.8 9.6 3.1
Alcohol 5 10.6 14.7 4.0
Heteroaromatic compound 5 10.6 5.8 4.9
Oxacycle 4 8.5 7.9 0.6
Amine 3 6.4 4.4 2.0
Benzenoid 3 6.4 18.3 12.0
Carboxamide group 2 4.3 5.5 1.2
Secondary alcohol 2 4.3 7.7 3.5
Phenol 1 2.1 0.5 1.7
Carboxylic acid ester 1 2.1 1.8 0.3

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_5929 1469.5740 1469.5740 None 0.900 0.030
document_2969 575.2790 575.2790 None 0.879 0.127
document_3423 620.3640 620.3640 None 0.822 0.291
document_3424 620.3650 620.3650 None 0.790 0.315
document_672 423.1990 423.1990 None 0.732 0.329
document_2369 517.0910 517.0910 None 0.679 0.216
document_2418 523.1290 523.1290 None 0.643 0.178
document_1199 441.2210 441.2210 None 0.612 0.302
document_5490 795.2960 795.2960 None 0.586 0.164
document_189 407.2380 407.2380 None 0.520 0.207
document_2767 557.2810 557.2810 None 0.497 0.180
document_188 407.2380 407.2380 None 0.481 0.223
document_3431 621.3890 621.3890 None 0.458 0.099
document_678 423.2710 423.2710 None 0.419 0.209
document_2620 543.2650 543.2650 None 0.409 0.222
document_1200 441.2230 441.2230 None 0.407 0.208
document_1798 480.2340 480.2340 None 0.387 0.206
document_216 409.1840 409.1840 None 0.226 0.162
document_3267 604.3690 604.3690 None 0.217 0.198
document_1903 487.2880 487.2880 None 0.212 0.151
document_3433 621.8800 621.8800 None 0.152 0.159
document_2207 504.2890 504.2890 None 0.150 0.162
document_1134 437.2310 437.2310 None 0.127 0.151
document_2778 558.3500 558.3500 None 0.122 0.107
document_2233 506.5770 506.5770 None 0.113 0.093
document_3430 622.0210 622.0210 None 0.112 0.178
document_3210 598.3560 598.3560 None 0.108 0.171
document_126 403.1970 403.1970 None 0.103 0.161
document_2641 546.1470 546.1470 None 0.097 0.159
document_1653 468.3230 468.3230 None 0.092 0.162
document_1611 466.2210 466.2210 None 0.091 0.088
document_4 400.2810 400.2810 None 0.081 0.165
document_3381 614.3520 614.3520 None 0.080 0.299
document_3348 613.2480 613.2480 None 0.079 0.158
document_2422 523.2770 523.2770 None 0.078 0.114
document_5035 737.9450 737.9450 None 0.074 0.159
document_1190 440.4450 440.4450 None 0.073 0.170
document_5463 786.4900 786.4900 None 0.070 0.108
document_3432 621.9570 621.9570 None 0.068 0.178
document_1027 432.1790 432.1790 None 0.064 0.109
document_1354 449.1850 449.1850 None 0.062 0.112
document_336 413.2420 413.2420 None 0.061 0.184
document_3379 614.2690 614.2690 None 0.060 0.107
document_5353 767.2130 767.2130 None 0.059 0.159
document_675 423.2110 423.2110 None 0.057 0.044
document_5261 753.3460 753.3460 None 0.055 0.107
document_263 413.2080 413.2080 None 0.054 0.107

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.