Mass2Motif: motif_124

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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 0.9537654301992. 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_443.2500 0.217
loss_126.0500 0.186
fragment_425.2500 0.110
fragment_734.4500 0.041
fragment_444.2500 0.040
fragment_727.3500 0.036
fragment_404.3500 0.025
fragment_735.4500 0.022
fragment_426.2500 0.021
fragment_344.2500 0.020
fragment_336.3500 0.017
fragment_322.3500 0.015
loss_158.1500 0.015
loss_157.1500 0.013
fragment_728.3500 0.012
loss_125.0500 0.009
fragment_502.4500 0.008
fragment_405.3500 0.008
fragment_337.5500 0.006
loss_187.7500 0.006
loss_187.3500 0.006
fragment_301.1500 0.006
fragment_233.9500 0.005
fragment_478.2500 0.005
loss_128.0500 0.005
fragment_365.2500 0.005
fragment_99.1500 0.005
loss_58.0500 0.004
fragment_59.0500 0.004
loss_117.0500 0.004
fragment_60.6500 0.003
fragment_496.3500 0.003
fragment_445.2500 0.003
loss_130.1500 0.003
fragment_307.3500 0.003
fragment_190.1500 0.003
loss_113.8500 0.003
fragment_338.2500 0.002
fragment_408.2500 0.002
loss_166.1500 0.002
loss_82.9500 0.002
fragment_100.3500 0.002
fragment_692.4500 0.002
loss_104.1500 0.002
fragment_372.8500 0.002
loss_152.4500 0.002
fragment_182.1500 0.002
loss_144.1500 0.002
fragment_483.8500 0.002
loss_41.4500 0.002
fragment_242.9500 0.002
fragment_496.5500 0.002
fragment_418.3500 0.002
fragment_78.1500 0.002
fragment_310.0500 0.002
loss_115.6500 0.002
fragment_409.6500 0.002
loss_120.3500 0.001
fragment_394.2500 0.001
loss_18.1500 0.001
fragment_507.1500 0.001
fragment_307.2500 0.001
fragment_56.0500 0.001
fragment_112.1500 0.001
fragment_404.9500 0.001
loss_131.0500 0.001
fragment_567.2500 0.001
fragment_348.4500 0.001
loss_176.8500 0.001
fragment_533.1500 0.001
loss_32.0500 0.001
fragment_493.2500 0.001
loss_97.9500 0.001

Counts of Classyfire Substituent terms

Term name Count in motif Percentage in motif Percentage in experiment Absolute difference
Hydrocarbon derivative 48 100 100 0
Organooxygen compound 45 93.8 95.3 1.6
Organic nitrogen compound 24 50 55.6 5.6
Organonitrogen compound 23 47.9 54.1 6.2
Carbonyl group 18 37.5 44.0 6.5
Organopnictogen compound 17 35.4 45.2 9.8
Benzenoid 12 25 18.3 6.7
Azacycle 11 22.9 22.6 0.3
Alcohol 8 16.7 14.7 2.0
Heteroaromatic compound 8 16.7 5.8 10.9
Aromatic heteropolycyclic compound 8 16.7 9.6 7.0
Organoheterocyclic compound 7 14.6 13.3 1.3
Secondary alcohol 3 6.3 7.7 1.5
Oxacycle 3 6.3 7.9 1.7
Carboxamide group 3 6.3 5.5 0.8
Oxane 1 2.1 1.9 0.2
O-glycosyl compound 1 2.1 1.2 0.9
Polyol 1 2.1 1.6 0.5
Acetal 1 2.1 1.5 0.6

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_5691 863.4530 863.4530 None 0.995 0.260
document_2810 562.4440 562.4440 None 0.808 0.127
document_1977 493.2150 493.2150 None 0.542 0.330
document_3005 579.1960 579.1960 None 0.490 0.260
document_5493 795.3670 795.3670 None 0.486 0.048
document_5515 802.4580 802.4580 None 0.475 0.083
document_1595 463.3150 463.3150 None 0.472 0.135
document_5492 795.3870 795.3870 None 0.471 0.049
document_1978 493.2160 493.2160 None 0.449 0.139
document_2300 511.2080 511.2080 None 0.446 0.266
document_2443 525.3070 525.3070 None 0.412 0.049
document_4146 685.3730 685.3730 None 0.407 0.220
document_5514 802.4580 802.4580 None 0.345 0.070
document_2410 522.2110 522.2110 None 0.283 0.195
document_580 421.2320 421.2320 None 0.254 0.194
document_594 421.2320 421.2320 None 0.245 0.211
document_2778 558.3500 558.3500 None 0.239 0.136
document_3015 580.4190 580.4190 None 0.213 0.045
document_2615 542.3210 542.3210 None 0.190 0.403
document_708 427.1680 427.1680 None 0.189 0.204
document_2612 542.3180 542.3180 None 0.172 0.397
document_1817 481.2750 481.2750 None 0.171 0.110
document_547 421.2300 421.2300 None 0.171 0.195
document_574 421.2320 421.2320 None 0.142 0.199
document_2628 544.7690 544.7690 None 0.132 0.263
document_557 421.2310 421.2310 None 0.121 0.186
document_3252 603.3680 603.3680 None 0.109 0.281
document_549 421.2310 421.2310 None 0.101 0.186
document_3527 633.3780 633.3780 None 0.099 0.257
document_618 421.2320 421.2320 None 0.098 0.186
document_546 421.2310 421.2310 None 0.092 0.186
document_3261 603.3720 603.3720 None 0.092 0.257
document_619 421.2320 421.2320 None 0.089 0.186
document_3086 588.6870 588.6870 None 0.088 0.257
document_5462 786.4570 786.4570 None 0.087 0.067
document_5548 813.4320 813.4320 None 0.085 0.260
document_595 421.2320 421.2320 None 0.083 0.186
document_1710 473.2320 473.2320 None 0.081 0.261
document_4864 723.4100 723.4100 None 0.078 0.259
document_3928 671.3600 671.3600 None 0.073 0.261
document_3028 582.2780 582.2780 None 0.065 0.217
document_2710 551.3550 551.3550 None 0.064 0.110
document_3179 595.3800 595.3800 None 0.062 0.110
document_3752 647.3600 647.3600 None 0.059 0.248
document_5930 1511.6200 1511.6200 None 0.056 0.040
document_2044 497.3010 497.3010 Alteramide B 0.055 0.257
document_2629 544.7730 544.7730 None 0.055 0.223
document_3652 639.3280 639.3280 None 0.051 0.186

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.