Mass2Motif: motif_151

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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 0.9598798063430741. 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_219.1500 0.386
fragment_165.0500 0.277
fragment_233.1500 0.098
loss_196.1500 0.079
fragment_235.0500 0.020
loss_174.1500 0.016
loss_38.1500 0.012
fragment_255.0500 0.009
loss_193.1500 0.007
loss_180.1500 0.006
fragment_236.0500 0.005
loss_80.1500 0.003
fragment_249.0500 0.003
fragment_220.0500 0.003
fragment_349.0500 0.003
loss_185.7500 0.003
fragment_210.5500 0.002
fragment_190.4500 0.002
fragment_243.5500 0.002
loss_194.2500 0.002
fragment_198.9500 0.002
fragment_98.0500 0.002
fragment_368.1500 0.002
fragment_274.6500 0.002
loss_154.6500 0.002
loss_144.3500 0.002
fragment_253.0500 0.001
fragment_284.8500 0.001
fragment_175.0500 0.001
fragment_69.0500 0.001
fragment_307.2500 0.001
fragment_100.9500 0.001
fragment_182.1500 0.001
fragment_122.9500 0.001
fragment_232.1500 0.001
loss_121.9500 0.001

Counts of Classyfire Substituent terms

Term name Count in motif Percentage in motif Percentage in experiment Absolute difference
Hydrocarbon derivative 106 100 100 0
Organooxygen compound 104 98.1 95.3 2.8
Organic nitrogen compound 45 42.5 55.6 13.2
Organonitrogen compound 44 41.5 54.1 12.6
Organopnictogen compound 33 31.1 45.2 14.1
Benzenoid 31 29.2 18.3 10.9
Carbonyl group 31 29.2 44.0 14.8
Aromatic heteropolycyclic compound 20 18.9 9.6 9.2
Azacycle 12 11.3 22.6 11.3
Organoheterocyclic compound 8 7.5 13.3 5.8
Heteroaromatic compound 6 5.7 5.8 0.1
Oxacycle 6 5.7 7.9 2.2
Alcohol 5 4.7 14.7 9.9
Amine 4 3.8 4.4 0.6
1-hydroxy-2-unsubstituted benzenoid 2 1.9 1.3 0.6
Carboxylic acid ester 2 1.9 1.8 0.1
Secondary alcohol 2 1.9 7.7 5.8
Carboxamide group 2 1.9 5.5 3.6
Vinylogous acid 1 0.9 0.1 0.9
Phenol 1 0.9 0.5 0.5
Oxane 1 0.9 1.9 1.0
O-glycosyl compound 1 0.9 1.2 0.3
Acetal 1 0.9 1.5 0.5
Glycosyl compound 1 0.9 0.7 0.2

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_816 429.2420 429.2420 None 0.819 0.902
document_814 429.2430 429.2430 None 0.754 0.882
document_803 429.2430 429.2430 None 0.722 0.897
document_813 429.2420 429.2420 None 0.705 0.842
document_808 429.2430 429.2430 None 0.693 0.872
document_826 429.2460 429.2460 None 0.638 0.587
document_809 429.2430 429.2430 None 0.619 0.852
document_828 429.2470 429.2470 None 0.614 0.408
document_807 429.2420 429.2420 None 0.614 0.848
document_805 429.2430 429.2430 None 0.603 0.867
document_815 429.2450 429.2450 None 0.546 0.868
document_1512 459.3290 459.3290 None 0.538 0.280
document_811 429.2420 429.2420 None 0.538 0.855
document_804 429.2420 429.2420 None 0.537 0.846
document_1484 458.6940 458.6940 None 0.535 0.278
document_806 429.2450 429.2450 None 0.514 0.886
document_845 429.3180 429.3180 None 0.464 0.280
document_733 427.2450 427.2450 None 0.429 0.276
document_842 429.3180 429.3180 None 0.398 0.280
document_819 429.2430 429.2430 None 0.395 0.575
document_820 429.2460 429.2460 None 0.380 0.568
document_1473 457.7520 457.7520 None 0.353 0.275
document_847 429.3180 429.3180 None 0.325 0.281
document_818 429.2450 429.2450 None 0.319 0.588
document_349 413.8300 413.8300 None 0.305 0.686
document_849 429.3180 429.3180 None 0.279 0.281
document_298 413.2150 413.2150 Massbank:CE000164 S,R-Noscapine 0.264 0.396
document_821 429.2460 429.2460 None 0.249 0.563
document_1670 469.2440 469.2440 None 0.248 0.386
document_827 429.2460 429.2460 None 0.197 0.563
document_774 429.1790 429.1790 None 0.187 0.395
document_822 429.2460 429.2460 None 0.180 0.563
document_293 413.2150 413.2150 None 0.173 0.393
document_336 413.2420 413.2420 None 0.162 0.386
document_1139 437.2400 437.2400 None 0.157 0.386
document_294 413.2150 413.2150 MLS001060855-01! 0.151 0.386
document_284 413.2150 413.2150 None 0.140 0.387
document_282 413.2200 413.2200 None 0.139 0.389
document_60 401.2470 401.2470 None 0.136 0.386
document_1513 459.3290 459.3290 None 0.135 0.277
document_288 413.2150 413.2150 None 0.134 0.386
document_829 429.2460 429.2460 None 0.132 0.563
document_296 413.2180 413.2180 None 0.124 0.386
document_325 413.2340 413.2340 None 0.122 0.389
document_3308 609.3400 609.3400 None 0.121 0.386
document_1724 473.3040 473.3040 None 0.121 0.277
document_1343 447.8060 447.8060 None 0.120 0.277
document_291 413.2310 413.2310 None 0.116 0.386
document_2493 529.2930 529.2930 None 0.114 0.277
document_1126 437.2200 437.2200 None 0.113 0.386
document_810 429.2440 429.2440 None 0.112 0.455
document_1161 439.2640 439.2640 None 0.112 0.277
document_5500 797.4620 797.4620 None 0.111 0.386
document_1470 457.3230 457.3230 None 0.110 0.277
document_287 413.2150 413.2150 None 0.108 0.396
document_351 414.1660 414.1660 None 0.106 0.386
document_172 406.3870 406.3870 None 0.101 0.278
document_247 412.9700 412.9700 None 0.099 0.389
document_3211 598.8280 598.8280 None 0.099 0.277
document_1972 492.2550 492.2550 None 0.098 0.277
document_316 413.2320 413.2320 None 0.095 0.277
document_320 413.2330 413.2330 None 0.094 0.409
document_817 429.2430 429.2430 None 0.094 0.277
document_422 417.2760 417.2760 None 0.091 0.277
document_3063 585.3200 585.3200 None 0.091 0.277
document_417 417.2120 417.2120 None 0.090 0.357
document_3402 617.3460 617.3460 None 0.090 0.465
document_3507 631.3630 631.3630 None 0.089 0.563
document_2261 507.2570 507.2570 None 0.087 0.387
document_3429 620.4370 620.4370 None 0.087 0.375
document_3427 620.4310 620.4310 None 0.087 0.375
document_1946 489.3660 489.3660 None 0.087 0.277
document_1506 461.1240 461.1240 None 0.087 0.387
document_1376 451.1200 451.1200 None 0.083 0.277
document_302 413.2150 413.2150 None 0.083 0.386
document_3195 596.3120 596.3120 None 0.082 0.386
document_2009 495.2840 495.2840 None 0.080 0.278
document_5796 941.5110 941.5110 None 0.078 0.386
document_2007 495.2840 495.2840 None 0.078 0.277
document_767 429.1790 429.1790 None 0.076 0.356
document_1046 433.2620 433.2620 None 0.076 0.386
document_473 419.3710 419.3710 None 0.074 0.277
document_289 413.2150 413.2150 None 0.073 0.386
document_319 413.2340 413.2340 None 0.073 0.386
document_862 430.1760 430.1760 None 0.072 0.306
document_283 413.2140 413.2140 None 0.068 0.277
document_1998 495.2410 495.2410 None 0.068 0.386
document_41 401.4800 401.4800 None 0.067 0.278
document_775 429.1790 429.1790 None 0.067 0.275
document_2492 529.2930 529.2930 None 0.065 0.277
document_2013 495.2870 495.2870 None 0.065 0.281
document_1773 477.2610 477.2610 None 0.064 0.281
document_3096 588.4960 588.4960 None 0.064 0.385
document_2010 495.2860 495.2860 None 0.061 0.279
document_986 430.9130 430.9130 None 0.060 0.277
document_5165 740.5190 740.5190 None 0.059 0.276
document_1964 491.3220 491.3220 None 0.059 0.484
document_1351 448.2550 448.2550 None 0.058 0.375
document_1160 439.2630 439.2630 None 0.058 0.278
document_323 413.2370 413.2370 None 0.058 0.386
document_3241 601.3540 601.3540 None 0.057 0.386
document_2443 525.3070 525.3070 None 0.054 0.465
document_1863 485.2880 485.2880 None 0.054 0.277
document_2768 557.2890 557.2890 None 0.053 0.277
document_2044 497.3010 497.3010 Alteramide B 0.053 0.293
document_3 401.0290 401.0290 None 0.051 0.275

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.