Mass2Motif: motif_95

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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 0.945609156879005. 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_101.0500 0.177
loss_65.0500 0.061
fragment_227.9500 0.058
fragment_102.1500 0.050
fragment_226.9500 0.048
fragment_294.9500 0.036
fragment_229.9500 0.033
fragment_309.9500 0.031
fragment_533.3500 0.026
fragment_393.9500 0.024
fragment_269.9500 0.021
fragment_228.9500 0.020
loss_144.0500 0.017
fragment_310.9500 0.016
loss_82.0500 0.016
fragment_103.0500 0.015
fragment_477.9500 0.014
fragment_287.9500 0.014
fragment_540.0500 0.013
fragment_125.9500 0.013
fragment_212.9500 0.010
fragment_274.9500 0.009
fragment_333.9500 0.009
fragment_167.9500 0.009
fragment_190.9500 0.008
fragment_267.9500 0.008
fragment_535.3500 0.007
fragment_245.9500 0.007
fragment_274.2500 0.006
fragment_490.2500 0.006
loss_75.0500 0.006
fragment_311.9500 0.006
fragment_455.9500 0.006
loss_166.0500 0.006
fragment_99.9500 0.006
fragment_71.9500 0.006
fragment_74.0500 0.006
loss_139.6500 0.005
fragment_415.9500 0.005
fragment_105.9500 0.005
loss_37.9500 0.004
fragment_459.3500 0.004
fragment_373.9500 0.004
fragment_147.9500 0.004
fragment_254.9500 0.004
fragment_77.9500 0.004
fragment_394.9500 0.004
fragment_62.0500 0.004
fragment_164.9500 0.004
loss_91.0500 0.003
fragment_292.9500 0.003
fragment_456.9500 0.003
loss_165.0500 0.003
fragment_646.3500 0.003
fragment_649.9500 0.003
fragment_60.0500 0.003
fragment_112.9500 0.003
fragment_82.0500 0.003
fragment_97.9500 0.003
fragment_332.9500 0.003
fragment_478.0500 0.003
fragment_206.0500 0.002
fragment_467.3500 0.002
fragment_329.9500 0.002
fragment_539.9500 0.002
fragment_413.9500 0.002
fragment_103.1500 0.002
fragment_341.7500 0.002
fragment_466.3500 0.002
fragment_407.2500 0.002
loss_97.2500 0.002
fragment_268.1500 0.002
loss_64.0500 0.002
fragment_183.9500 0.001
loss_150.1500 0.001
fragment_189.6500 0.001
loss_34.6500 0.001
fragment_464.2500 0.001
loss_173.0500 0.001
fragment_324.2500 0.001
fragment_163.6500 0.001
fragment_474.2500 0.001
loss_126.9500 0.001
fragment_324.3500 0.001

Counts of Classyfire Substituent terms

Term name Count in motif Percentage in motif Percentage in experiment Absolute difference
Hydrocarbon derivative 49 100 100 0
Organooxygen compound 47 95.9 95.3 0.6
Organonitrogen compound 33 67.3 54.1 13.2
Organopnictogen compound 30 61.2 45.2 16.0
Organic nitrogen compound 28 57.1 55.6 1.5
Carbonyl group 25 51.0 44.0 7.0
Organoheterocyclic compound 3 6.1 13.3 7.2
Benzenoid 3 6.1 18.3 12.2
Alcohol 3 6.1 14.7 8.5
Secondary alcohol 2 4.1 7.7 3.6
Oxacycle 1 2.0 7.9 5.9
Carboxylic acid ester 1 2.0 1.8 0.2
Oxane 1 2.0 1.9 0.1
O-glycosyl compound 1 2.0 1.2 0.8
Azacycle 1 2.0 22.6 20.6

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_3437 622.0290 622.0290 None 1.000 0.315
document_3434 622.0290 622.0290 None 0.953 0.217
document_3436 622.0290 622.0290 None 0.924 0.318
document_2051 497.3050 497.3050 None 0.710 0.292
document_2835 565.3360 565.3360 None 0.579 0.142
document_1878 486.2730 486.2730 None 0.412 0.295
document_3551 634.8690 634.8690 None 0.219 0.076
document_2104 498.8990 498.8990 None 0.217 0.362
document_2836 565.5450 565.5450 None 0.216 0.325
document_2095 498.8990 498.8990 None 0.179 0.376
document_2122 498.9000 498.9000 None 0.175 0.396
document_2059 498.3370 498.3370 None 0.172 0.377
document_4417 702.8590 702.8590 None 0.169 0.149
document_2083 498.7070 498.7070 None 0.141 0.292
document_2131 498.9000 498.9000 None 0.141 0.354
document_2096 498.9010 498.9010 None 0.130 0.397
document_2838 566.3510 566.3510 None 0.125 0.320
document_2087 498.9000 498.9000 None 0.123 0.337
document_2127 498.9000 498.9000 None 0.120 0.372
document_746 427.3390 427.3390 None 0.119 0.227
document_2145 498.9020 498.9020 None 0.118 0.286
document_2144 498.9010 498.9010 None 0.109 0.334
document_2837 565.3700 565.3700 None 0.109 0.262
document_2123 498.9020 498.9020 None 0.102 0.334
document_2091 498.9010 498.9010 None 0.102 0.393
document_2089 498.9010 498.9010 None 0.102 0.390
document_2061 497.3800 497.3800 None 0.098 0.315
document_2115 498.9000 498.9000 None 0.095 0.287
document_2119 498.9000 498.9000 None 0.094 0.390
document_2093 498.9000 498.9000 None 0.090 0.390
document_2106 498.8980 498.8980 None 0.086 0.304
document_2110 498.8990 498.8990 None 0.084 0.226
document_2103 498.9010 498.9010 None 0.084 0.423
document_477 419.2750 419.2750 None 0.084 0.036
document_2140 498.9010 498.9010 None 0.073 0.225
document_2112 498.9010 498.9010 None 0.069 0.356
document_2101 498.9020 498.9020 None 0.069 0.356
document_5156 740.5160 740.5160 None 0.064 0.061
document_2024 498.8440 498.8440 None 0.060 0.352
document_2839 566.4000 566.4000 None 0.060 0.323
document_2094 498.9000 498.9000 None 0.058 0.353
document_1469 457.3110 457.3110 None 0.058 0.241
document_2151 498.9040 498.9040 None 0.058 0.306
document_2226 505.3620 505.3620 None 0.057 0.068
document_2098 498.9010 498.9010 None 0.056 0.353
document_2441 525.2980 525.2980 None 0.055 0.061
document_2099 498.9010 498.9010 None 0.053 0.353
document_2126 498.9010 498.9010 None 0.052 0.302
document_2025 498.4590 498.4590 None 0.050 0.358

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.