Mass2Motif: motif_123

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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 0.9671578965094121. 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
loss_155.0500 0.279
fragment_58.0500 0.249
loss_154.0500 0.180
fragment_567.5500 0.093
fragment_568.5500 0.047
loss_153.0500 0.046
fragment_567.4500 0.023
loss_169.4500 0.012
fragment_569.5500 0.011
fragment_156.0500 0.004
fragment_55.0500 0.003
loss_168.4500 0.003
fragment_111.1500 0.003
fragment_454.2500 0.002
fragment_109.0500 0.002
fragment_327.3500 0.002
fragment_315.2500 0.001
fragment_307.1500 0.001
fragment_569.4500 0.001
fragment_301.2500 0.001
fragment_98.1500 0.001
fragment_397.0500 0.001
loss_193.3500 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 63 96.9 95.3 1.6
Organic nitrogen compound 40 61.5 55.6 5.9
Organonitrogen compound 38 58.5 54.1 4.3
Organopnictogen compound 34 52.3 45.2 7.1
Carbonyl group 32 49.2 44.0 5.2
Alcohol 11 16.9 14.7 2.3
Azacycle 11 16.9 22.6 5.7
Aliphatic acyclic compound 8 12.3 2.9 9.4
Secondary alcohol 6 9.2 7.7 1.5
Organoheterocyclic compound 4 6.2 13.3 7.2
Amine 3 4.6 4.4 0.2
Heteroaromatic compound 2 3.1 5.8 2.7
Benzenoid 2 3.1 18.3 15.3
Oxacycle 1 1.5 7.9 6.4
Carboxamide group 1 1.5 5.5 3.9
Aromatic heteropolycyclic compound 1 1.5 9.6 8.1

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_4859 722.5310 722.5310 None 0.965 0.839
document_4858 722.5310 722.5310 None 0.916 0.908
document_4860 722.5310 722.5310 None 0.826 0.853
document_3120 590.4170 590.4170 None 0.589 0.716
document_4572 708.5160 708.5160 None 0.498 0.760
document_4579 708.5160 708.5160 None 0.498 0.071
document_4346 694.5010 694.5010 None 0.489 0.757
document_4573 708.5160 708.5160 None 0.485 0.912
document_4582 708.5160 708.5160 None 0.472 0.899
document_4571 708.5160 708.5160 None 0.462 0.758
document_4580 708.5160 708.5160 None 0.435 0.375
document_3115 590.4190 590.4190 None 0.431 0.762
document_4581 708.5160 708.5160 None 0.409 0.613
document_3271 604.4320 604.4320 None 0.408 0.761
document_4575 708.5160 708.5160 None 0.401 0.429
document_3119 590.4170 590.4170 None 0.400 0.708
document_3116 590.4180 590.4180 None 0.394 0.754
document_4574 708.5160 708.5160 None 0.393 0.708
document_3117 590.4170 590.4170 None 0.387 0.533
document_3114 590.4190 590.4190 None 0.384 0.714
document_2983 576.4000 576.4000 None 0.371 0.459
document_203 409.5200 409.5200 None 0.359 0.016
document_2984 576.4010 576.4010 None 0.336 0.512
document_3095 588.3990 588.3990 None 0.317 0.295
document_3118 590.4190 590.4190 None 0.284 0.457
document_4576 708.5160 708.5160 None 0.277 0.287
document_4578 708.5160 708.5160 None 0.258 0.805
document_4834 720.5170 720.5170 None 0.213 0.461
document_4325 692.5200 692.5200 None 0.205 0.459
document_753 428.4460 428.4460 None 0.187 0.249
document_1337 447.2060 447.2060 None 0.151 0.249
document_271 413.2030 413.2030 None 0.142 0.249
document_1146 437.2370 437.2370 None 0.138 0.249
document_5315 760.4340 760.4340 None 0.138 0.180
document_2335 513.2750 513.2750 None 0.117 0.249
document_3291 608.3420 608.3420 None 0.112 0.233
document_4935 730.4980 730.4980 None 0.106 0.462
document_2417 522.5960 522.5960 None 0.104 0.264
document_4342 694.5010 694.5010 1,2-dipalmitoyl-sn-glycero-3-phosphoethanolamine 0.100 0.713
document_5214 744.5140 744.5140 None 0.097 0.372
document_2564 537.2990 537.2990 None 0.095 0.229
document_1622 466.5330 466.5330 None 0.093 0.249
document_2756 556.2960 556.2960 None 0.092 0.249
document_5213 744.5140 744.5140 None 0.091 0.279
document_2204 504.2670 504.2670 None 0.089 0.249
document_391 415.2540 415.2540 None 0.085 0.249
document_3304 609.3400 609.3400 None 0.083 0.279
document_3672 639.4080 639.4080 None 0.080 0.249
document_1993 494.5670 494.5670 None 0.079 0.253
document_4933 730.4980 730.4980 None 0.077 0.459
document_317 413.2470 413.2470 None 0.075 0.249
document_2957 573.2900 573.2900 None 0.074 0.459
document_3331 612.3990 612.3990 None 0.071 0.462
document_3820 658.1270 658.1270 None 0.068 0.047
document_2283 508.5810 508.5810 None 0.067 0.249
document_4775 718.4600 718.4600 None 0.064 0.251
document_1170 440.2500 440.2500 None 0.063 0.180
document_4228 690.4010 690.4010 None 0.060 0.251
document_3213 598.3830 598.3830 None 0.059 0.462
document_723 427.0730 427.0730 None 0.059 0.180
document_804 429.2420 429.2420 None 0.058 0.248
document_3227 600.4650 600.4650 None 0.055 0.249
document_4558 707.0100 707.0100 None 0.052 0.351
document_4222 690.4020 690.4020 None 0.052 0.251
document_158 405.2440 405.2440 None 0.051 0.279

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.