Mass2Motif: motif_120

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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 0.9762446420189513. 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_57.0500 0.381
fragment_71.0500 0.214
fragment_85.0500 0.132
fragment_109.0500 0.083
fragment_523.3500 0.052
fragment_58.0500 0.017
fragment_298.3500 0.013
fragment_254.1500 0.007
fragment_521.4500 0.007
fragment_833.0500 0.007
fragment_524.3500 0.006
fragment_238.2500 0.006
fragment_418.3500 0.004
loss_143.4500 0.004
fragment_329.2500 0.004
fragment_182.9500 0.004
loss_140.0500 0.003
fragment_524.4500 0.003
fragment_239.2500 0.003
fragment_176.1500 0.003
fragment_321.8500 0.002
fragment_99.1500 0.002
fragment_137.4500 0.002
fragment_257.2500 0.002
fragment_832.5500 0.002
fragment_196.1500 0.002
fragment_299.3500 0.002
fragment_702.9500 0.001
fragment_222.1500 0.001
fragment_525.3500 0.001
fragment_219.2500 0.001
fragment_344.2500 0.001
fragment_766.6500 0.001
fragment_282.3500 0.001
fragment_354.8500 0.001
fragment_249.6500 0.001

Counts of Classyfire Substituent terms

Term name Count in motif Percentage in motif Percentage in experiment Absolute difference
Hydrocarbon derivative 107 100 100 0
Organooxygen compound 87 81.3 95.3 14.0
Carbonyl group 44 41.1 44.0 2.9
Alcohol 35 32.7 14.7 18.1
Aliphatic acyclic compound 24 22.4 2.9 19.5
Organic nitrogen compound 20 18.7 55.6 36.9
Organonitrogen compound 19 17.8 54.1 36.4
Secondary alcohol 18 16.8 7.7 9.1
Organopnictogen compound 15 14.0 45.2 31.2
Oxacycle 14 13.1 7.9 5.2
Benzenoid 10 9.3 18.3 9.0
Oxane 6 5.6 1.9 3.7
Polyol 6 5.6 1.6 4.0
Organoheterocyclic compound 6 5.6 13.3 7.7
1-hydroxy-2-unsubstituted benzenoid 4 3.7 1.3 2.5
Azacycle 3 2.8 22.6 19.8
Primary alcohol 2 1.9 0.9 1.0
O-glycosyl compound 2 1.9 1.2 0.7
Acetal 2 1.9 1.5 0.4
Glycosyl compound 1 0.9 0.7 0.2
Carboxylic acid ester 1 0.9 1.8 0.9
Carboxamide group 1 0.9 5.5 4.5

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_1737 474.4270 474.4270 None 0.978 0.756
document_2802 561.8250 561.8250 None 0.905 0.408
document_2690 550.6290 550.6290 None 0.848 0.758
document_3851 664.3170 664.3170 None 0.667 0.871
document_3858 664.3400 664.3400 None 0.573 0.798
document_3870 664.4010 664.4010 None 0.559 0.660
document_3859 663.4620 663.4620 None 0.509 0.681
document_2283 508.5810 508.5810 None 0.491 0.615
document_4775 718.4600 718.4600 None 0.481 0.706
document_5336 766.5040 766.5040 None 0.474 0.725
document_3872 664.3880 664.3880 None 0.472 0.746
document_2417 522.5960 522.5960 None 0.458 0.757
document_3873 664.3880 664.3880 None 0.414 0.449
document_3850 663.2920 663.2920 None 0.410 0.739
document_3009 579.5350 579.5350 None 0.393 0.677
document_1993 494.5670 494.5670 None 0.363 0.757
document_4211 690.4010 690.4010 None 0.351 0.678
document_4259 690.4450 690.4450 None 0.333 0.726
document_3547 636.4050 636.4050 None 0.333 0.822
document_4251 690.4020 690.4020 None 0.301 0.677
document_3860 664.3420 664.3420 None 0.280 0.533
document_4773 718.4300 718.4300 None 0.251 0.725
document_4783 718.4800 718.4800 None 0.248 0.677
document_1655 468.7380 468.7380 None 0.247 0.728
document_4847 722.4570 722.4570 None 0.246 0.724
document_4216 690.4010 690.4010 None 0.240 0.726
document_4777 718.4300 718.4300 None 0.233 0.593
document_1154 438.5040 438.5040 None 0.230 0.512
document_4263 690.4020 690.4020 None 0.227 0.676
document_4303 692.5030 692.5030 None 0.223 0.727
document_4245 690.4020 690.4020 None 0.223 0.729
document_4164 688.3860 688.3860 None 0.223 0.726
document_679 424.4000 424.4000 None 0.215 0.728
document_4772 718.4300 718.4300 None 0.206 0.680
document_2590 542.1510 542.1510 None 0.205 0.725
document_4268 690.4490 690.4490 None 0.199 0.677
document_4265 690.4660 690.4660 None 0.199 0.729
document_4841 721.8480 721.8480 None 0.195 0.595
document_4305 692.4740 692.4740 None 0.194 0.809
document_2623 543.3530 543.3530 None 0.193 0.729
document_331 413.2410 413.2410 None 0.190 0.512
document_1036 432.3450 432.3450 None 0.187 0.728
document_4239 690.4010 690.4010 None 0.172 0.679
document_4301 692.4980 692.4980 None 0.170 0.727
document_4785 718.4720 718.4720 None 0.164 0.677
document_5573 819.5000 819.5000 None 0.162 0.808
document_4768 718.4290 718.4290 None 0.160 0.679
document_1622 466.5330 466.5330 None 0.158 0.756
document_209 408.5930 408.5930 None 0.157 0.724
document_4178 690.3150 690.3150 None 0.152 0.593
document_208 408.4550 408.4550 None 0.151 0.724
document_4208 690.4010 690.4010 None 0.147 0.595
document_4526 704.4150 704.4150 None 0.144 0.512
document_2741 556.1060 556.1060 None 0.141 0.725
document_4247 690.4260 690.4260 None 0.138 0.598
document_5126 740.4340 740.4340 None 0.132 0.672
document_4179 690.2540 690.2540 None 0.130 0.677
document_4320 692.5180 692.5180 None 0.128 0.805
document_2230 506.5330 506.5330 None 0.125 0.731
document_4512 704.4150 704.4150 None 0.124 0.594
document_4142 685.7460 685.7460 None 0.124 0.602
document_4204 690.4010 690.4010 None 0.124 0.512
document_4258 690.4350 690.4350 None 0.122 0.379
document_4667 716.4150 716.4150 None 0.119 0.727
document_3054 585.6170 585.6170 None 0.118 0.726
document_1162 439.5760 439.5760 None 0.117 0.727
document_4778 718.4290 718.4290 None 0.117 0.594
document_4522 704.4150 704.4150 None 0.116 0.677
document_4277 692.3710 692.3710 None 0.115 0.530
document_5674 854.5740 854.5740 None 0.115 0.728
document_4224 690.4010 690.4010 None 0.112 0.463
document_1128 437.2300 437.2300 None 0.111 0.510
document_4844 722.4790 722.4790 None 0.107 0.724
document_3702 644.4980 644.4980 None 0.107 0.729
document_1651 468.3090 468.3090 None 0.105 0.679
document_4621 712.4180 712.4180 None 0.101 0.680
document_3215 599.2450 599.2450 None 0.096 0.728
document_4784 718.4920 718.4920 None 0.095 0.592
document_3102 590.4380 590.4380 None 0.094 0.725
document_4556 706.3940 706.3940 None 0.088 0.461
document_1524 460.7980 460.7980 None 0.084 0.725
document_879 430.3880 430.3880 Sorbitane Monostearate - Polysorbate 60 in-source fragment 0.084 0.724
document_2212 504.8250 504.8250 None 0.084 0.725
document_2987 576.4100 576.4100 None 0.080 0.611
document_2247 506.5290 506.5290 None 0.078 0.217
document_2459 526.8370 526.8370 None 0.078 0.720
document_3398 616.4650 616.4650 None 0.077 0.724
document_3532 634.4620 634.4620 None 0.077 0.725
document_2528 533.1520 533.1520 None 0.074 0.512
document_2455 528.2010 528.2010 None 0.073 0.725
document_3974 678.3660 678.3660 None 0.071 0.731
document_5065 738.4000 738.4000 None 0.070 0.463
document_2200 504.3900 504.3900 None 0.066 0.680
document_4846 722.5000 722.5000 None 0.064 0.725
document_5107 740.4220 740.4220 None 0.064 0.466
document_5776 921.5770 921.5770 None 0.064 0.809
document_5012 734.3810 734.3810 None 0.063 0.722
document_2231 506.5290 506.5290 None 0.063 0.465
document_1579 463.2980 463.2980 None 0.062 0.511
document_176 407.2850 407.2850 None 0.060 0.519
document_3246 601.5150 601.5150 None 0.057 0.725
document_4212 690.4150 690.4150 None 0.057 0.595
document_3228 601.9920 601.9920 None 0.056 0.726
document_5051 738.3980 738.3980 None 0.056 0.466
document_1327 446.1440 446.1440 None 0.055 0.512
document_1179 440.2750 440.2750 None 0.053 0.730
document_3698 642.3820 642.3820 None 0.053 0.058

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.