Mass2Motif: motif_239

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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 0.9684380267485304. 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_85.0500 0.792
fragment_392.1500 0.038
fragment_517.1500 0.034
fragment_433.1500 0.018
fragment_474.1500 0.007
loss_192.4500 0.006
fragment_518.1500 0.006
fragment_374.1500 0.006
fragment_535.1500 0.005
fragment_120.9500 0.004
fragment_291.1500 0.004
loss_79.0500 0.003
fragment_312.7500 0.003
fragment_968.3500 0.003
loss_113.9500 0.003
fragment_475.1500 0.003
fragment_285.8500 0.003
fragment_986.3500 0.002
loss_122.1500 0.002
loss_112.8500 0.002
fragment_230.0500 0.002
fragment_926.2500 0.002
fragment_324.3500 0.002
fragment_925.2500 0.002
fragment_374.2500 0.002
fragment_288.9500 0.002
fragment_434.1500 0.002
fragment_236.0500 0.002
loss_124.1500 0.002
fragment_313.0500 0.002
fragment_476.1500 0.001
fragment_537.1500 0.001
fragment_536.1500 0.001
loss_17.0500 0.001
fragment_436.3500 0.001

Counts of Classyfire Substituent terms

Term name Count in motif Percentage in motif Percentage in experiment Absolute difference
Hydrocarbon derivative 88 100 100 0
Organooxygen compound 58 65.9 95.3 29.4
Alcohol 36 40.9 14.7 26.3
Organonitrogen compound 31 35.2 54.1 18.9
Organic nitrogen compound 30 34.1 55.6 21.5
Secondary alcohol 29 33.0 7.7 25.2
Organoheterocyclic compound 24 27.3 13.3 14.0
Organopnictogen compound 23 26.1 45.2 19.1
Oxacycle 16 18.2 7.9 10.3
Carbonyl group 16 18.2 44.0 25.8
Benzenoid 12 13.6 18.3 4.7
Oxane 10 11.4 1.9 9.5
Azacycle 9 10.2 22.6 12.4
Aliphatic acyclic compound 7 8.0 2.9 5.0
Acetal 5 5.7 1.5 4.2
Glycosyl compound 5 5.7 0.7 4.9
O-glycosyl compound 4 4.5 1.2 3.3
Polyol 4 4.5 1.6 3.0
Aromatic heteropolycyclic compound 3 3.4 9.6 6.2
Heteroaromatic compound 2 2.3 5.8 3.5
1-hydroxy-2-unsubstituted benzenoid 1 1.1 1.3 0.1
Carboxylic acid ester 1 1.1 1.8 0.7

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_5879 1047.3991 1047.3991 None 0.859 0.068
document_4992 733.1670 733.1670 None 0.783 0.039
document_3484 628.3720 628.3720 None 0.574 0.065
document_3466 625.5770 625.5770 None 0.356 0.068
document_1128 437.2300 437.2300 None 0.266 0.796
document_1173 440.2480 440.2480 None 0.230 0.792
document_4298 692.4160 692.4160 None 0.213 0.800
document_1648 468.3060 468.3060 None 0.199 0.794
document_4210 690.4010 690.4010 None 0.186 0.792
document_1172 440.2490 440.2490 None 0.184 0.792
document_2431 524.1530 524.1530 None 0.176 0.798
document_2082 498.6830 498.6830 None 0.175 0.788
document_4766 718.4560 718.4560 None 0.156 0.795
document_5829 959.5210 959.5210 None 0.151 0.789
document_5587 819.5000 819.5000 None 0.148 0.792
document_4530 704.5210 704.5210 None 0.145 0.784
document_512 420.1640 420.1640 None 0.141 0.792
document_5796 941.5110 941.5110 None 0.139 0.788
document_4301 692.4980 692.4980 None 0.138 0.792
document_2243 506.5280 506.5280 None 0.135 0.791
document_3601 636.9010 636.9010 None 0.131 0.787
document_1517 461.5380 461.5380 None 0.123 0.797
document_4005 678.4840 678.4840 None 0.121 0.786
document_1134 437.2310 437.2310 None 0.119 0.792
document_4505 704.4150 704.4150 None 0.116 0.792
document_3446 624.2170 624.2170 None 0.114 0.795
document_3803 655.3670 655.3670 None 0.113 0.789
document_2621 543.3030 543.3030 None 0.111 0.792
document_2529 533.1530 533.1530 None 0.111 0.790
document_1477 457.3290 457.3290 None 0.108 0.792
document_176 407.2850 407.2850 None 0.106 0.792
document_430 419.0270 419.0270 None 0.106 0.792
document_1507 459.7230 459.7230 None 0.104 0.847
document_4171 689.9070 689.9070 None 0.104 0.790
document_1653 468.3230 468.3230 None 0.101 0.792
document_3598 636.4180 636.4180 None 0.100 0.792
document_4759 718.4300 718.4300 None 0.099 0.791
document_2517 531.4080 531.4080 None 0.098 0.792
document_209 408.5930 408.5930 None 0.098 0.794
document_142 404.1360 404.1360 None 0.097 0.780
document_191 407.2550 407.2550 None 0.094 0.792
document_229 410.3490 410.3490 None 0.090 0.792
document_4205 690.4010 690.4010 None 0.089 0.792
document_4003 678.4790 678.4790 None 0.086 0.791
document_5078 738.3960 738.3960 None 0.086 0.795
document_437 418.2650 418.2650 None 0.085 0.791
document_4221 690.4010 690.4010 None 0.084 0.792
document_5210 744.4800 744.4800 None 0.081 0.792
document_4085 681.5830 681.5830 None 0.080 0.792
document_4498 704.3280 704.3280 None 0.078 0.830
document_4691 716.4150 716.4150 None 0.077 0.792
document_5123 740.4100 740.4100 None 0.077 0.796
document_2455 528.2010 528.2010 None 0.076 0.789
document_595 421.2320 421.2320 None 0.075 0.780
document_3324 612.5710 612.5710 None 0.074 0.788
document_2247 506.5290 506.5290 None 0.074 0.792
document_5768 913.5860 913.5860 None 0.072 0.794
document_1822 481.4000 481.4000 None 0.071 0.791
document_4184 689.6260 689.6260 None 0.069 0.792
document_175 407.0880 407.0880 None 0.066 0.791
document_2822 563.4650 563.4650 None 0.066 0.792
document_4259 690.4450 690.4450 None 0.066 0.792
document_5824 959.5150 959.5150 None 0.066 0.786
document_5579 819.5000 819.5000 None 0.063 0.792
document_4300 692.4910 692.4910 None 0.063 0.792
document_4208 690.4010 690.4010 None 0.062 0.792
document_4779 718.4300 718.4300 None 0.061 0.790
document_360 413.2650 413.2650 None 0.061 0.791
document_208 408.4550 408.4550 None 0.061 0.790
document_4732 716.4680 716.4680 None 0.061 0.792
document_4325 692.5200 692.5200 None 0.060 0.785
document_2982 576.3890 576.3890 None 0.059 0.792
document_2235 506.5280 506.5280 None 0.059 0.792
document_2670 548.8500 548.8500 None 0.058 0.790
document_4247 690.4260 690.4260 None 0.058 0.792
document_4320 692.5180 692.5180 None 0.057 0.788
document_4793 718.5330 718.5330 None 0.057 0.791
document_232 411.1490 411.1490 None 0.056 0.792
document_4624 712.4700 712.4700 None 0.056 0.796
document_2938 570.8630 570.8630 None 0.056 0.792
document_2712 551.3560 551.3560 None 0.055 0.787
document_2527 533.1510 533.1510 None 0.055 0.788
document_2244 506.5300 506.5300 None 0.055 0.790
document_2459 526.8370 526.8370 None 0.053 0.792
document_2191 502.3140 502.3140 None 0.053 0.792
document_3825 658.9140 658.9140 None 0.051 0.792
document_1307 443.3320 443.3320 None 0.051 0.792
document_4512 704.4150 704.4150 None 0.050 0.792

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.