Mass2Motif: motif_235

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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 0.9674872261441496. 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_250.1500 0.250
loss_68.0500 0.089
fragment_192.1500 0.052
loss_178.2500 0.018
loss_119.5500 0.017
fragment_630.3500 0.017
fragment_727.4500 0.017
fragment_544.2500 0.016
fragment_234.9500 0.015
fragment_422.2500 0.015
fragment_424.2500 0.014
fragment_294.1500 0.014
fragment_228.1500 0.012
fragment_392.3500 0.012
loss_160.1500 0.011
loss_82.1500 0.010
fragment_457.2500 0.010
loss_159.4500 0.010
fragment_253.0500 0.010
fragment_504.3500 0.009
fragment_368.1500 0.009
fragment_954.3500 0.008
fragment_266.1500 0.008
fragment_848.3500 0.007
loss_44.8500 0.007
fragment_857.4500 0.007
fragment_101.0500 0.006
fragment_395.1500 0.006
fragment_371.0500 0.006
fragment_798.4500 0.006
fragment_975.4500 0.006
fragment_997.5500 0.006
fragment_276.1500 0.006
fragment_479.1500 0.006
loss_142.1500 0.006
fragment_328.2500 0.005
loss_184.6500 0.005
loss_67.0500 0.005
fragment_306.1500 0.005
loss_82.5500 0.005
fragment_644.8500 0.005
fragment_631.3500 0.005
loss_52.6500 0.004
fragment_674.7500 0.004
loss_35.9500 0.004
fragment_523.4500 0.004
loss_140.3500 0.004
fragment_728.3500 0.004
fragment_666.7500 0.004
loss_60.6500 0.004
fragment_325.2500 0.004
fragment_307.1500 0.004
fragment_810.0500 0.004
loss_111.1500 0.004
fragment_671.0500 0.004
fragment_261.1500 0.004
loss_37.6500 0.004
fragment_864.6500 0.004
fragment_374.3500 0.004
fragment_130.0500 0.004
fragment_124.1500 0.004
loss_56.3500 0.003
fragment_591.0500 0.003
loss_136.3500 0.003
fragment_56.4500 0.003
fragment_328.0500 0.003
loss_85.2500 0.003
fragment_300.2500 0.003
fragment_537.7500 0.003
loss_189.5500 0.003
fragment_934.4500 0.003
loss_67.4500 0.003
fragment_425.2500 0.003
fragment_574.1500 0.003
loss_85.9500 0.003
fragment_727.9500 0.003
fragment_164.1500 0.003
fragment_403.0500 0.003
fragment_317.1500 0.003
fragment_439.2500 0.003
fragment_597.8500 0.003
loss_129.5500 0.003
loss_153.2500 0.003
loss_106.0500 0.003
fragment_397.2500 0.003
fragment_232.0500 0.003
fragment_213.9500 0.003
fragment_263.9500 0.003
loss_122.0500 0.003
loss_138.0500 0.003
fragment_589.3500 0.003
fragment_586.7500 0.002
loss_140.6500 0.002
fragment_771.7500 0.002
fragment_797.4500 0.002
fragment_962.5500 0.002
fragment_388.1500 0.002
fragment_424.5500 0.002
fragment_81.4500 0.002
fragment_920.4500 0.002
fragment_805.9500 0.002
fragment_632.3500 0.002
fragment_482.2500 0.002
loss_125.2500 0.002
fragment_635.3500 0.002
fragment_691.4500 0.002
loss_101.1500 0.002
fragment_833.4500 0.002
fragment_230.1500 0.002
fragment_333.2500 0.002
fragment_711.4500 0.002
loss_83.9500 0.002
fragment_455.1500 0.002
fragment_466.8500 0.002
fragment_915.4500 0.001
fragment_884.4500 0.001
fragment_867.4500 0.001
fragment_483.0500 0.001
fragment_866.3500 0.001

Counts of Classyfire Substituent terms

Term name Count in motif Percentage in motif Percentage in experiment Absolute difference
Hydrocarbon derivative 41 100 100 0
Organooxygen compound 40 97.6 95.3 2.2
Organic nitrogen compound 29 70.7 55.6 15.1
Organonitrogen compound 27 65.9 54.1 11.7
Organopnictogen compound 19 46.3 45.2 1.1
Benzenoid 16 39.0 18.3 20.7
Azacycle 15 36.6 22.6 14.0
Carbonyl group 11 26.8 44.0 17.2
Aromatic heteropolycyclic compound 11 26.8 9.6 17.2
Organoheterocyclic compound 9 22.0 13.3 8.6
Heteroaromatic compound 7 17.1 5.8 11.3
Alcohol 6 14.6 14.7 0.0
Oxacycle 4 9.8 7.9 1.8
1-hydroxy-2-unsubstituted benzenoid 3 7.3 1.3 6.0
Amine 3 7.3 4.4 2.9
Secondary alcohol 2 4.9 7.7 2.8
Oxane 1 2.4 1.9 0.5
Polyol 1 2.4 1.6 0.9
Phenol 1 2.4 0.5 2.0
Carboxamide group 1 2.4 5.5 3.0
1-hydroxy-4-unsubstituted benzenoid 1 2.4 0.2 2.2

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_5654 841.4360 841.4360 desmethylsalinamide E 0.881 0.084
document_1781 477.3670 477.3670 None 0.847 0.253
document_5494 795.4090 795.4090 None 0.838 0.131
document_4907 727.3980 727.3980 None 0.836 0.192
document_1780 477.3640 477.3640 None 0.794 0.250
document_3862 663.7960 663.7960 None 0.744 0.087
document_1739 475.0240 475.0240 None 0.663 0.250
document_3686 640.4520 640.4520 None 0.663 0.250
document_5749 902.3480 902.3480 None 0.492 0.063
document_344 413.2520 413.2520 None 0.473 0.068
document_1522 460.3010 460.3010 None 0.390 0.336
document_205 408.3070 408.3070 None 0.362 0.336
document_1160 439.2630 439.2630 None 0.313 0.112
document_1937 489.3200 489.3200 None 0.283 0.091
document_206 408.3070 408.3070 None 0.242 0.322
document_680 423.3170 423.3170 None 0.202 0.262
document_3867 663.4910 663.4910 None 0.156 0.261
document_5716 881.3300 881.3300 None 0.154 0.250
document_3680 639.5660 639.5660 None 0.146 0.248
document_2673 549.1720 549.1720 None 0.122 0.055
document_3453 625.3120 625.3120 None 0.115 0.256
document_1987 493.3570 493.3570 None 0.112 0.258
document_46 401.2470 401.2470 None 0.111 0.052
document_1727 474.1770 474.1770 None 0.094 0.250
document_204 408.3070 408.3070 None 0.092 0.250
document_3896 667.3200 667.3200 None 0.084 0.263
document_3601 636.9010 636.9010 None 0.078 0.249
document_638 421.2400 421.2400 None 0.076 0.253
document_1871 485.2900 485.2900 None 0.073 0.089
document_1558 463.2770 463.2770 None 0.068 0.101
document_2702 551.8160 551.8160 None 0.065 0.269
document_1897 487.2120 487.2120 None 0.063 0.078
document_3251 602.7250 602.7250 None 0.061 0.112
document_3122 591.4560 591.4560 None 0.061 0.052
document_158 405.2440 405.2440 None 0.058 0.250
document_663 421.3010 421.3010 None 0.057 0.250
document_3935 672.3480 672.3480 None 0.057 0.257
document_451 418.3890 418.3890 None 0.057 0.253
document_5530 805.4840 805.4840 None 0.056 0.097
document_2457 526.4570 526.4570 None 0.053 0.093
document_3707 645.2020 645.2020 None 0.051 0.248

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.