Mass2Motif: motif_225

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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 0.9642322479824605. 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 0.656
loss_194.1500 0.197
fragment_102.1500 0.070
loss_192.7500 0.011
fragment_396.6500 0.011
fragment_165.0500 0.006
fragment_202.6500 0.004
fragment_103.1500 0.002
fragment_245.0500 0.002
fragment_261.9500 0.002
loss_178.1500 0.002
loss_74.0500 0.002
fragment_59.0500 0.001

Counts of Classyfire Substituent terms

Term name Count in motif Percentage in motif Percentage in experiment Absolute difference
Hydrocarbon derivative 110 100 100 0
Organooxygen compound 100 90.9 95.3 4.4
Carbonyl group 53 48.2 44.0 4.2
Organic nitrogen compound 47 42.7 55.6 12.9
Organonitrogen compound 46 41.8 54.1 12.3
Organopnictogen compound 36 32.7 45.2 12.5
Benzenoid 13 11.8 18.3 6.5
Aromatic heteropolycyclic compound 10 9.1 9.6 0.6
Aliphatic acyclic compound 8 7.3 2.9 4.3
Organoheterocyclic compound 7 6.4 13.3 7.0
Azacycle 7 6.4 22.6 16.3
Oxacycle 6 5.5 7.9 2.5
Alcohol 6 5.5 14.7 9.2
Heteroaromatic compound 4 3.6 5.8 2.1
Secondary alcohol 2 1.8 7.7 5.9
Amine 1 0.9 4.4 3.5
O-glycosyl compound 1 0.9 1.2 0.3
Acetal 1 0.9 1.5 0.5
Aromatic homomonocyclic compound 1 0.9 0.1 0.9
1-hydroxy-2-unsubstituted benzenoid 1 0.9 1.3 0.4
Phenol 1 0.9 0.5 0.4

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_2167 499.3150 499.3150 None 0.780 0.727
document_2142 499.3080 499.3080 None 0.770 0.727
document_2168 499.3140 499.3140 None 0.737 0.726
document_2163 499.3130 499.3130 None 0.710 0.726
document_2166 499.3130 499.3130 None 0.706 0.725
document_2539 533.4150 533.4150 None 0.704 0.655
document_2164 499.3120 499.3120 None 0.689 0.727
document_1666 469.3660 469.3660 None 0.611 0.652
document_2056 497.3060 497.3060 None 0.573 0.922
document_5330 763.5060 763.5060 None 0.563 0.658
document_2165 499.3120 499.3120 None 0.562 0.722
document_5326 762.4960 762.4960 None 0.539 0.656
document_3099 589.3900 589.3900 None 0.465 0.032
document_5324 762.4960 762.4960 None 0.457 0.722
document_2073 498.8660 498.8660 None 0.402 0.654
document_2023 496.8160 496.8160 None 0.359 0.722
document_2054 497.3060 497.3060 None 0.265 0.922
document_2149 498.9940 498.9940 None 0.215 0.651
document_1388 451.3040 451.3040 None 0.207 0.656
document_2033 497.1690 497.1690 None 0.205 0.651
document_2114 498.8990 498.8990 None 0.202 0.720
document_2141 498.9010 498.9010 None 0.187 0.721
document_2022 497.3880 497.3880 None 0.186 0.725
document_1995 497.0970 497.0970 None 0.182 0.719
document_2041 497.2180 497.2180 None 0.180 0.656
document_2543 534.4760 534.4760 None 0.179 0.197
document_2057 498.5070 498.5070 None 0.173 0.726
document_3841 661.2550 661.2550 None 0.171 0.655
document_2047 497.3050 497.3050 None 0.169 0.724
document_2524 532.4630 532.4630 None 0.168 0.197
document_336 413.2420 413.2420 None 0.162 0.197
document_220 409.8090 409.8090 None 0.160 0.656
document_2120 498.9010 498.9010 None 0.150 0.724
document_2510 531.3850 531.3850 None 0.150 0.726
document_1589 463.3010 463.3010 None 0.146 0.656
document_2076 498.4060 498.4060 None 0.142 0.721
document_1230 442.0640 442.0640 None 0.136 0.656
document_2152 498.9040 498.9040 None 0.133 0.656
document_2513 531.3840 531.3840 None 0.129 0.656
document_324 413.2300 413.2300 None 0.128 0.651
document_2088 498.9080 498.9080 None 0.127 0.725
document_325 413.2340 413.2340 None 0.121 0.198
document_5642 838.8420 838.8420 MS_Contaminant_Sodium_Formate_Cluster 0.118 0.652
document_1296 443.3310 443.3310 None 0.117 0.656
document_291 413.2310 413.2310 None 0.116 0.197
document_243 412.1670 412.1670 None 0.113 0.656
document_1186 440.2780 440.2780 None 0.112 0.656
document_53 401.2480 401.2480 None 0.109 0.853
document_61 401.2480 401.2480 None 0.108 0.197
document_73 401.2700 401.2700 None 0.108 0.197
document_299 413.2250 413.2250 None 0.107 0.197
document_1269 443.2390 443.2390 None 0.105 0.197
document_1268 443.2390 443.2390 None 0.104 0.197
document_3349 613.2480 613.2480 None 0.102 0.654
document_253 412.4130 412.4130 None 0.101 0.656
document_3004 578.5030 578.5030 None 0.101 0.197
document_1304 443.3310 443.3310 None 0.101 0.656
document_3343 613.2480 613.2480 None 0.099 0.656
document_1303 443.3310 443.3310 None 0.099 0.653
document_3350 613.2480 613.2480 None 0.098 0.656
document_65 401.2470 401.2470 None 0.097 0.197
document_3340 613.2480 613.2480 None 0.097 0.656
document_3352 613.2480 613.2480 None 0.097 0.655
document_1298 443.3310 443.3310 None 0.097 0.656
document_1293 443.3300 443.3300 None 0.097 0.655
document_2632 545.3030 545.3030 None 0.096 0.656
document_816 429.2420 429.2420 None 0.094 0.202
document_2840 565.3720 565.3720 None 0.094 0.654
document_2406 521.3450 521.3450 None 0.091 0.654
document_2035 497.1660 497.1660 None 0.090 0.649
document_1291 443.7490 443.7490 None 0.090 0.648
document_227 410.2150 410.2150 None 0.089 0.656
document_1232 443.7620 443.7620 None 0.085 0.660
document_4908 727.4010 727.4010 None 0.083 0.656
document_302 413.2150 413.2150 None 0.083 0.197
document_1863 485.2880 485.2880 None 0.082 0.658
document_1261 443.2420 443.2420 None 0.082 0.200
document_1324 445.3030 445.3030 None 0.078 0.655
document_1021 432.7250 432.7250 None 0.077 0.656
document_4364 697.4800 697.4800 None 0.077 0.656
document_678 423.2710 423.2710 None 0.075 0.661
document_320 413.2330 413.2330 None 0.075 0.199
document_2129 498.9020 498.9020 None 0.074 0.726
document_3341 613.2480 613.2480 None 0.073 0.656
document_1185 443.4020 443.4020 None 0.073 0.654
document_319 413.2340 413.2340 None 0.072 0.197
document_1283 443.3210 443.3210 None 0.071 0.656
document_5325 762.4960 762.4960 None 0.071 0.656
document_3917 669.4160 669.4160 None 0.070 0.657
document_1682 470.2760 470.2760 None 0.069 0.657
document_806 429.2450 429.2450 None 0.065 0.202
document_803 429.2430 429.2430 None 0.064 0.202
document_1309 443.3330 443.3330 None 0.063 0.656
document_2108 498.9000 498.9000 None 0.062 0.656
document_5594 821.5280 821.5280 None 0.061 0.197
document_4089 682.3740 682.3740 None 0.060 0.656
document_1301 444.0240 444.0240 None 0.060 0.656
document_3271 604.4320 604.4320 None 0.059 0.654
document_1233 443.8150 443.8150 None 0.059 0.650
document_4748 716.9490 716.9490 None 0.059 0.650
document_826 429.2460 429.2460 None 0.059 0.196
document_3074 588.2730 588.2730 None 0.058 0.656
document_323 413.2370 413.2370 None 0.058 0.197
document_174 407.1470 407.1470 None 0.058 0.656
document_3484 628.3720 628.3720 None 0.058 0.852
document_3862 663.7960 663.7960 None 0.057 0.656
document_1204 441.8110 441.8110 None 0.055 0.656
document_1826 482.1830 482.1830 None 0.053 0.647
document_4133 683.4690 683.4690 None 0.051 0.656
document_1206 441.2640 441.2640 None 0.051 0.654

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.