Mass2Motif: motif_145

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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 0.9737606113115361. 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_211.1500 0.553
fragment_176.0500 0.020
loss_157.2500 0.017
fragment_351.1500 0.016
fragment_562.1500 0.014
fragment_459.5500 0.013
loss_178.0500 0.013
fragment_366.1500 0.013
fragment_212.1500 0.012
fragment_395.1500 0.012
loss_123.1500 0.010
loss_52.3500 0.009
fragment_725.9500 0.009
fragment_296.2500 0.009
fragment_304.1500 0.009
loss_103.9500 0.009
loss_181.0500 0.008
fragment_269.0500 0.008
fragment_271.1500 0.008
loss_136.1500 0.008
fragment_674.3500 0.008
loss_170.2500 0.007
loss_35.0500 0.007
fragment_743.2500 0.007
fragment_354.1500 0.006
fragment_126.1500 0.006
fragment_600.2500 0.006
loss_46.0500 0.006
fragment_597.2500 0.005
fragment_217.1500 0.005
loss_98.1500 0.005
fragment_732.3500 0.005
fragment_323.1500 0.005
fragment_208.1500 0.005
loss_91.5500 0.005
fragment_267.0500 0.005
fragment_804.2500 0.004
loss_152.2500 0.004
loss_135.8500 0.004
fragment_330.1500 0.004
fragment_103.0500 0.004
fragment_130.0500 0.003
loss_137.5500 0.003
fragment_614.3500 0.003
fragment_336.4500 0.003
loss_189.8500 0.003
fragment_296.1500 0.003
fragment_329.1500 0.003
fragment_978.6500 0.003
fragment_266.5500 0.003
loss_134.7500 0.003
fragment_171.9500 0.002
loss_150.2500 0.002
fragment_125.9500 0.002
fragment_340.1500 0.002
fragment_333.0500 0.002
fragment_274.0500 0.002
fragment_314.6500 0.002
loss_104.6500 0.002
loss_109.1500 0.002
loss_185.6500 0.002
loss_79.1500 0.002
fragment_279.6500 0.002
loss_98.5500 0.002
fragment_85.1500 0.002
loss_132.1500 0.002
fragment_250.0500 0.002
loss_168.9500 0.002
loss_146.6500 0.001
fragment_363.0500 0.001
fragment_238.0500 0.001
loss_56.2500 0.001
fragment_339.6500 0.001
loss_81.0500 0.001
loss_19.0500 0.001
fragment_401.6500 0.001
loss_86.2500 0.001
fragment_464.7500 0.001
fragment_145.0500 0.001
fragment_479.7500 0.001
fragment_71.4500 0.001
fragment_57.9500 0.001
fragment_143.1500 0.001
fragment_676.3500 0.001
fragment_287.1500 0.001
fragment_503.3500 0.001
fragment_601.3500 0.001
fragment_293.9500 0.001
loss_125.3500 0.001

Counts of Classyfire Substituent terms

Term name Count in motif Percentage in motif Percentage in experiment Absolute difference
Hydrocarbon derivative 62 100 100 0
Organooxygen compound 61 98.4 95.3 3.1
Organonitrogen compound 41 66.1 54.1 12.0
Organic nitrogen compound 40 64.5 55.6 8.9
Organopnictogen compound 37 59.7 45.2 14.4
Azacycle 28 45.2 22.6 22.5
Carbonyl group 26 41.9 44.0 2.1
Organoheterocyclic compound 13 21.0 13.3 7.6
Benzenoid 12 19.4 18.3 1.0
Carboxamide group 10 16.1 5.5 10.6
Alcohol 5 8.1 14.7 6.6
Aromatic heteropolycyclic compound 4 6.5 9.6 3.2
Secondary alcohol 2 3.2 7.7 4.5
Oxacycle 2 3.2 7.9 4.7
Amine 2 3.2 4.4 1.1
Heteroaromatic compound 2 3.2 5.8 2.5
Carboxylic acid ester 2 3.2 1.8 1.4
Oxane 1 1.6 1.9 0.3
O-glycosyl compound 1 1.6 1.2 0.4
Polyol 1 1.6 1.6 0.0
Acetal 1 1.6 1.5 0.2
Alpha 1 1.6 0.0 1.6
Aliphatic acyclic compound 1 1.6 2.9 1.3

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_5430 778.3170 778.3170 None 0.973 0.188
document_523 420.7350 420.7350 None 0.460 0.600
document_510 419.3140 419.3140 None 0.377 0.620
document_508 419.3150 419.3150 None 0.317 0.584
document_65 401.2470 401.2470 None 0.304 0.599
document_2452 526.3230 526.3230 None 0.288 0.562
document_511 419.3140 419.3140 None 0.279 0.592
document_1278 443.2760 443.2760 None 0.262 0.580
document_509 419.3140 419.3140 None 0.254 0.587
document_662 421.2410 421.2410 None 0.252 0.578
document_457 419.2880 419.2880 None 0.214 0.580
document_658 421.2390 421.2390 None 0.206 0.574
document_618 421.2320 421.2320 None 0.201 0.561
document_430 419.0270 419.0270 None 0.192 0.564
document_291 413.2310 413.2310 None 0.188 0.553
document_1215 442.3790 442.3790 None 0.183 0.553
document_3094 588.3750 588.3750 None 0.173 0.553
document_1428 455.2600 455.2600 None 0.156 0.559
document_2478 528.3040 528.3040 None 0.155 0.570
document_2616 542.3530 542.3530 None 0.146 0.554
document_2220 505.2970 505.2970 None 0.143 0.577
document_1497 459.3880 459.3880 None 0.120 0.017
document_599 421.2320 421.2320 None 0.118 0.553
document_1516 460.1830 460.1830 None 0.117 0.038
document_580 421.2320 421.2320 None 0.113 0.558
document_595 421.2320 421.2320 None 0.109 0.560
document_1222 441.2980 441.2980 None 0.108 0.553
document_1405 453.3680 453.3680 None 0.108 0.562
document_458 419.2410 419.2410 None 0.104 0.560
document_3051 584.3650 584.3650 None 0.096 0.559
document_3050 584.3650 584.3650 None 0.093 0.565
document_1927 489.2310 489.2310 None 0.089 0.569
document_59 401.2470 401.2470 None 0.088 0.553
document_3268 604.3690 604.3690 None 0.087 0.583
document_1166 439.2910 439.2910 None 0.086 0.565
document_507 419.3140 419.3140 None 0.086 0.563
document_2537 533.3360 533.3360 None 0.081 0.553
document_250 412.2610 412.2610 None 0.080 0.553
document_3814 657.3860 657.3860 None 0.078 0.553
document_594 421.2320 421.2320 None 0.076 0.553
document_1681 471.1940 471.1940 None 0.076 0.553
document_1533 461.3370 461.3370 None 0.075 0.577
document_456 419.2050 419.2050 None 0.075 0.554
document_1939 489.3660 489.3660 None 0.072 0.567
document_1473 457.7520 457.7520 None 0.071 0.553
document_3171 595.2870 595.2870 None 0.068 0.553
document_289 413.2150 413.2150 None 0.066 0.557
document_2582 540.3410 540.3410 None 0.063 0.553
document_3048 584.3080 584.3080 None 0.063 0.586
document_3996 678.4780 678.4780 None 0.060 0.553
document_49 401.2470 401.2470 None 0.060 0.552
document_276 413.2220 413.2220 None 0.058 0.553
document_2615 542.3210 542.3210 None 0.057 0.562
document_2454 526.3230 526.3230 None 0.056 0.553
document_584 421.2320 421.2320 None 0.056 0.567
document_5891 1078.3900 1078.3900 None 0.055 0.046
document_5782 925.5130 925.5130 None 0.055 0.553
document_706 425.2700 425.2700 None 0.055 0.553
document_3900 667.4330 667.4330 None 0.054 0.569
document_2538 533.3360 533.3360 None 0.053 0.565
document_2431 524.1530 524.1530 None 0.053 0.564
document_3077 587.2850 587.2850 None 0.051 0.552

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.