Mass2Motif: motif_13

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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 0.950563027090959. 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_283.2500 0.556
fragment_284.2500 0.120
loss_117.9500 0.063
loss_118.6500 0.029
loss_118.3500 0.015
loss_118.4500 0.014
loss_118.9500 0.014
loss_118.7500 0.012
loss_118.8500 0.012
loss_117.7500 0.009
fragment_311.3500 0.009
fragment_285.2500 0.007
fragment_123.1500 0.006
loss_117.6500 0.006
loss_116.9500 0.006
loss_68.1500 0.006
loss_152.4500 0.006
fragment_159.0500 0.004
fragment_174.1500 0.004
fragment_83.0500 0.003
fragment_283.6500 0.003
fragment_312.2500 0.003
loss_134.5500 0.003
fragment_105.0500 0.002
loss_194.6500 0.002
fragment_206.9500 0.002
fragment_213.9500 0.002
loss_169.2500 0.002
loss_82.1500 0.002
fragment_166.9500 0.002
loss_191.3500 0.002
loss_127.3500 0.002
loss_40.2500 0.001
fragment_216.1500 0.001
loss_117.4500 0.001
fragment_93.0500 0.001
fragment_184.9500 0.001
fragment_360.1500 0.001
loss_100.1500 0.001
fragment_55.0500 0.001
fragment_215.8500 0.001
loss_186.5500 0.001
fragment_192.0500 0.001
loss_81.1500 0.001
loss_148.0500 0.001
fragment_201.2500 0.001
loss_123.1500 0.001
fragment_97.1500 0.001
loss_186.2500 0.001
fragment_61.9500 0.001
fragment_266.9500 0.001
loss_134.2500 0.001

Counts of Classyfire Substituent terms

Term name Count in motif Percentage in motif Percentage in experiment Absolute difference
Hydrocarbon derivative 58 100 100 0
Organooxygen compound 56 96.6 95.3 1.2
Benzenoid 17 29.3 18.3 11.0
Organic nitrogen compound 11 19.0 55.6 36.7
Organonitrogen compound 9 15.5 54.1 38.6
Carbonyl group 9 15.5 44.0 28.5
Organopnictogen compound 6 10.3 45.2 34.9
Aromatic heteropolycyclic compound 5 8.6 9.6 1.0
Heteroaromatic compound 3 5.2 5.8 0.6
1-hydroxy-2-unsubstituted benzenoid 2 3.4 1.3 2.2
Alcohol 2 3.4 14.7 11.2
Oxacycle 1 1.7 7.9 6.2
Organoheterocyclic compound 1 1.7 13.3 11.6

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_85 402.1910 402.1910 Sorbitane Monopalmitate - Polysorbate 40 in-source fragment 0.962 0.769
document_82 402.0400 402.0400 None 0.882 0.721
document_90 401.9140 401.9140 None 0.873 0.710
document_87 401.9080 401.9080 None 0.871 0.719
document_3624 638.7550 638.7550 None 0.841 0.690
document_10 401.2340 401.2340 None 0.705 0.745
document_3315 610.5870 610.5870 ReSpect:PT212210 Cyanidin-3-O-(2''-O-beta-glucopyranosyl-beta-glucopyranoside)|Cy 3-Soph|cyanidin-3-sophoroside|(2S,3R,4S,5S,6R)-2-[(2S,3R,4S,5S,6R)-2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromenylium-3-yl]oxy-4,5-di 0.670 0.675
document_93 402.1140 402.1140 None 0.613 0.696
document_68 401.2500 401.2500 None 0.597 0.751
document_119 402.3570 402.3570 None 0.521 0.687
document_53 401.2480 401.2480 None 0.516 0.623
document_52 401.6740 401.6740 None 0.496 0.705
document_112 402.3570 402.3570 None 0.495 0.684
document_120 402.3590 402.3590 None 0.494 0.684
document_123 402.3590 402.3590 None 0.491 0.686
document_110 402.3570 402.3570 Sorbitane Monopalmitate - Polysorbate 40 in-source fragment 0.488 0.713
document_117 402.3660 402.3660 None 0.488 0.683
document_111 402.3570 402.3570 None 0.479 0.684
document_3658 639.4050 639.4050 None 0.477 0.562
document_114 402.3610 402.3610 None 0.475 0.683
document_122 402.3590 402.3590 None 0.475 0.689
document_92 402.3460 402.3460 Sorbitane Monopalmitate - Polysorbate 40 in-source fragment 0.473 0.687
document_116 402.3580 402.3580 None 0.472 0.680
document_121 402.3570 402.3570 None 0.465 0.676
document_124 402.3650 402.3650 None 0.460 0.574
document_113 402.3570 402.3570 None 0.459 0.685
document_69 402.3230 402.3230 Sorbitane Monopalmitate - Polysorbate 40 in-source fragment 0.457 0.686
document_118 402.3580 402.3580 Sorbitane Monopalmitate - Polysorbate 40 in-source fragment 0.455 0.684
document_107 402.3550 402.3550 None 0.434 0.686
document_72 401.6130 401.6130 None 0.422 0.587
document_115 402.3570 402.3570 None 0.413 0.677
document_71 401.2500 401.2500 None 0.387 0.624
document_108 402.3530 402.3530 None 0.387 0.716
document_70 401.5570 401.5570 None 0.262 0.745
document_54 401.2480 401.2480 None 0.260 0.618
document_13 401.1760 401.1760 None 0.208 0.748
document_3645 639.3570 639.3570 None 0.196 0.559
document_109 402.3530 402.3530 None 0.186 0.687
document_104 402.2820 402.2820 None 0.166 0.739
document_86 401.6480 401.6480 None 0.148 0.571
document_55 401.2480 401.2480 None 0.139 0.556
document_3668 639.4070 639.4070 None 0.138 0.675
document_63 401.2660 401.2660 None 0.137 0.557
document_2588 540.4220 540.4220 None 0.136 0.689
document_19 401.6520 401.6520 None 0.133 0.702
document_3677 639.4080 639.4080 None 0.122 0.556
document_40 401.2320 401.2320 None 0.117 0.744
document_339 413.2460 413.2460 None 0.110 0.556
document_2824 563.5500 563.5500 None 0.094 0.559
document_3769 650.4200 650.4200 None 0.092 0.675
document_5 400.4830 400.4830 None 0.088 0.674
document_363 413.2680 413.2680 None 0.086 0.557
document_331 413.2410 413.2410 None 0.081 0.556
document_3670 639.4080 639.4080 None 0.067 0.556
document_975 430.9130 430.9130 None 0.062 0.032
document_6 400.3770 400.3770 None 0.054 0.682
document_12 400.3770 400.3770 None 0.052 0.559
document_1302 443.3310 443.3310 None 0.051 0.559

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.