Mass2Motif: motif_31

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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 0.9796963146213717. 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_119.0500 0.612
loss_118.0500 0.222
loss_117.0500 0.011
fragment_697.3500 0.011
fragment_114.3500 0.011
loss_110.9500 0.009
fragment_550.2500 0.008
fragment_160.9500 0.006
fragment_644.2500 0.006
fragment_587.2500 0.004
fragment_961.7500 0.004
loss_94.9500 0.004
fragment_837.4500 0.004
loss_32.0500 0.003
fragment_838.8500 0.003
loss_30.5500 0.003
fragment_57.9500 0.003
fragment_198.0500 0.003
fragment_330.1500 0.003
loss_100.2500 0.003
fragment_499.2500 0.002
loss_106.0500 0.002
fragment_324.2500 0.002
fragment_923.8500 0.002
fragment_153.9500 0.002
fragment_189.1500 0.002
fragment_105.0500 0.002
loss_92.4500 0.002
fragment_777.0500 0.002
fragment_136.9500 0.002
fragment_272.0500 0.002
fragment_705.3500 0.002
loss_164.0500 0.002
fragment_411.2500 0.002
loss_155.7500 0.002
fragment_274.5500 0.002
fragment_116.9500 0.002
loss_152.0500 0.002
fragment_307.0500 0.002
fragment_642.3500 0.002
fragment_162.1500 0.002
loss_154.9500 0.002
loss_158.3500 0.002
fragment_147.9500 0.001
loss_95.9500 0.001

Counts of Classyfire Substituent terms

Term name Count in motif Percentage in motif Percentage in experiment Absolute difference
Hydrocarbon derivative 74 100 100 0
Organooxygen compound 73 98.6 95.3 3.3
Organonitrogen compound 32 43.2 54.1 10.9
Organic nitrogen compound 31 41.9 55.6 13.7
Organopnictogen compound 26 35.1 45.2 10.1
Azacycle 17 23.0 22.6 0.4
Benzenoid 17 23.0 18.3 4.6
Carbonyl group 15 20.3 44.0 23.8
Aromatic heteropolycyclic compound 9 12.2 9.6 2.5
Heteroaromatic compound 6 8.1 5.8 2.4
Alcohol 5 6.8 14.7 7.9
Organoheterocyclic compound 5 6.8 13.3 6.6
Secondary alcohol 3 4.1 7.7 3.7
Oxacycle 3 4.1 7.9 3.9
Carboxamide group 3 4.1 5.5 1.4
Oxane 2 2.7 1.9 0.8
Acetal 2 2.7 1.5 1.3
Amine 2 2.7 4.4 1.7
1-hydroxy-2-unsubstituted benzenoid 1 1.4 1.3 0.1
Primary alcohol 1 1.4 0.9 0.5
O-glycosyl compound 1 1.4 1.2 0.2
Polyol 1 1.4 1.6 0.2
Glycosyl compound 1 1.4 0.7 0.6
Aliphatic acyclic compound 1 1.4 2.9 1.6

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_5698 869.4130 869.4130 None 0.773 0.074
document_891 430.3880 430.3880 None 0.516 0.624
document_882 430.3870 430.3870 None 0.484 0.846
document_884 430.3870 430.3870 None 0.481 0.851
document_110 402.3570 402.3570 Sorbitane Monopalmitate - Polysorbate 40 in-source fragment 0.479 0.846
document_120 402.3590 402.3590 None 0.468 0.846
document_114 402.3610 402.3610 None 0.467 0.846
document_123 402.3590 402.3590 None 0.465 0.846
document_92 402.3460 402.3460 Sorbitane Monopalmitate - Polysorbate 40 in-source fragment 0.465 0.846
document_112 402.3570 402.3570 None 0.462 0.846
document_111 402.3570 402.3570 None 0.460 0.846
document_69 402.3230 402.3230 Sorbitane Monopalmitate - Polysorbate 40 in-source fragment 0.457 0.846
document_888 430.3870 430.3870 None 0.452 0.612
document_116 402.3580 402.3580 None 0.452 0.835
document_113 402.3570 402.3570 None 0.447 0.846
document_895 430.3890 430.3890 None 0.446 0.835
document_876 430.3870 430.3870 None 0.446 0.846
document_872 430.3870 430.3870 None 0.441 0.842
document_878 430.3880 430.3880 Sorbitane Monostearate - Polysorbate 60 in-source fragment 0.438 0.846
document_119 402.3570 402.3570 None 0.433 0.846
document_886 430.3880 430.3880 None 0.430 0.835
document_880 430.3870 430.3870 None 0.428 0.851
document_873 430.3900 430.3900 Sorbitane Monostearate - Polysorbate 60 in-source fragment 0.426 0.846
document_869 430.3870 430.3870 None 0.426 0.841
document_887 430.3880 430.3880 Sorbitane Monostearate - Polysorbate 60 in-source fragment 0.425 0.846
document_122 402.3590 402.3590 None 0.425 0.846
document_892 430.3890 430.3890 None 0.425 0.835
document_124 402.3650 402.3650 None 0.422 0.612
document_871 430.3880 430.3880 None 0.418 0.835
document_121 402.3570 402.3570 None 0.413 0.835
document_1 299.9970 299.9970 None 0.411 0.029
document_118 402.3580 402.3580 Sorbitane Monopalmitate - Polysorbate 40 in-source fragment 0.411 0.846
document_881 430.3870 430.3870 None 0.410 0.835
document_870 430.3860 430.3860 Sorbitane Monostearate - Polysorbate 60 in-source fragment 0.406 0.846
document_896 430.3900 430.3900 None 0.404 0.835
document_879 430.3880 430.3880 Sorbitane Monostearate - Polysorbate 60 in-source fragment 0.400 0.846
document_107 402.3550 402.3550 None 0.395 0.835
document_117 402.3660 402.3660 None 0.376 0.835
document_885 430.3870 430.3870 ReSpect:PS087410 Vitexin|Vitx|apigenin-8-C-glucoside|8-beta-D-Glucopyranosyl-apigenin|Orientoside 0.368 0.835
document_883 430.3880 430.3880 None 0.359 0.612
document_115 402.3570 402.3570 None 0.358 0.835
document_741 429.3010 429.3010 None 0.312 0.236
document_875 430.3860 430.3860 None 0.282 0.612
document_108 402.3530 402.3530 None 0.278 0.837
document_109 402.3530 402.3530 None 0.174 0.837
document_854 430.3710 430.3710 None 0.162 0.612
document_4664 716.3440 716.3440 None 0.156 0.835
document_766 429.3500 429.3500 None 0.148 0.234
document_2579 539.2280 539.2280 None 0.145 0.614
document_55 401.2480 401.2480 None 0.138 0.222
document_5709 873.4840 873.4840 None 0.135 0.835
document_5711 874.3330 874.3330 None 0.133 0.612
document_63 401.2660 401.2660 None 0.133 0.222
document_341 413.2560 413.2560 None 0.124 0.222
document_2438 525.2130 525.2130 None 0.122 0.612
document_1075 434.7980 434.7980 None 0.116 0.222
document_1121 437.2220 437.2220 None 0.095 0.835
document_5421 776.2880 776.2880 None 0.090 0.238
document_2398 520.3320 520.3320 None 0.085 0.835
document_2179 500.8350 500.8350 None 0.083 0.612
document_1850 484.2370 484.2370 None 0.079 0.612
document_104 402.2820 402.2820 None 0.078 0.612
document_1371 450.2550 450.2550 None 0.078 0.612
document_5710 873.4860 873.4860 None 0.076 0.835
document_313 413.2220 413.2220 None 0.076 0.222
document_218 409.1950 409.1950 None 0.071 0.612
document_1369 450.2550 450.2550 None 0.066 0.612
document_2299 511.2020 511.2020 None 0.063 0.222
document_1368 450.2550 450.2550 None 0.059 0.612
document_675 423.2110 423.2110 None 0.059 0.612
document_2341 513.2960 513.2960 None 0.056 0.612
document_245 412.1800 412.1800 None 0.055 0.612
document_3698 642.3820 642.3820 None 0.053 0.835
document_1423 455.2580 455.2580 None 0.051 0.222

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.