Mass2Motif: motif_432

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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: DSF; 480, 297, 279, 269, 251; Side chain (Nic, Nic + H20) 106, 124

Short Annotation: jatrophane 582, 459, 399, 339, 279, 251, Nic + H20 124, Nic -H20 106

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 0.8463967119389402. 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_124.0375 0.116
fragment_297.1825 0.059
fragment_279.1725 0.040
fragment_269.1875 0.022
fragment_106.0275 0.021
fragment_251.1775 0.020
loss_194.0825 0.020
fragment_420.2125 0.019
fragment_420.2175 0.016
fragment_480.2375 0.016
fragment_642.2875 0.015
fragment_438.2275 0.014
fragment_554.2725 0.014
loss_102.0375 0.011
fragment_173.1325 0.009
fragment_596.2825 0.008
loss_134.0625 0.008
fragment_656.3025 0.008
fragment_223.1475 0.008
fragment_298.1875 0.008
fragment_339.1925 0.008
loss_176.0725 0.008
fragment_522.2475 0.007
loss_120.0425 0.007
fragment_315.1925 0.007
fragment_402.2075 0.006
fragment_209.1325 0.006
fragment_173.0975 0.006
fragment_540.2575 0.006
fragment_421.2175 0.006
fragment_171.1175 0.006
fragment_402.2025 0.006
loss_102.0325 0.006
fragment_568.2875 0.005
fragment_670.3175 0.005
fragment_261.1625 0.005
loss_162.0575 0.005
fragment_133.1025 0.004
fragment_280.1775 0.004
fragment_109.1025 0.004
fragment_494.2525 0.004
fragment_159.1175 0.004
fragment_145.1025 0.004
fragment_410.2325 0.004
fragment_399.2125 0.004
fragment_125.0425 0.004
loss_176.0675 0.004
loss_60.0275 0.004
fragment_311.1975 0.004
fragment_656.3075 0.004
loss_120.0475 0.004
fragment_296.1275 0.004
fragment_462.2275 0.004
fragment_610.2975 0.004
fragment_241.1575 0.004
fragment_614.2925 0.003
fragment_480.2325 0.003
fragment_255.1725 0.003
fragment_239.1425 0.003
fragment_287.1975 0.003
fragment_213.1275 0.003
fragment_481.2375 0.003
fragment_536.2625 0.003
fragment_135.1175 0.003
loss_190.0875 0.003
fragment_462.2225 0.003
fragment_237.1625 0.003
fragment_704.3025 0.003
fragment_241.1225 0.003
loss_193.0775 0.003
fragment_399.2175 0.003
loss_101.0325 0.003
fragment_189.1275 0.003
fragment_195.1175 0.003
fragment_107.0475 0.003
fragment_643.2925 0.003
fragment_241.1925 0.003
fragment_357.2025 0.003
fragment_227.1425 0.003
fragment_187.1125 0.003
fragment_157.1025 0.003
fragment_582.2675 0.003
fragment_579.2925 0.003
fragment_199.1125 0.002
fragment_223.1125 0.002
fragment_270.1925 0.002
fragment_211.1475 0.002
loss_42.0175 0.002
loss_180.0675 0.002
fragment_185.1325 0.002
loss_130.0275 0.002
fragment_413.2325 0.002
fragment_157.0975 0.002
loss_162.0525 0.002
fragment_410.2275 0.002
fragment_185.0975 0.002
fragment_253.1575 0.002
fragment_201.0875 0.002
fragment_371.2225 0.002
fragment_392.2225 0.002
fragment_197.1325 0.002
fragment_329.2125 0.002
fragment_555.2775 0.002
fragment_252.1825 0.002
loss_77.0125 0.002
fragment_161.0925 0.002
fragment_237.1275 0.002
fragment_131.0875 0.002
fragment_227.1775 0.002
fragment_215.1425 0.002
fragment_526.2775 0.002
fragment_657.3075 0.002
loss_119.0425 0.002
fragment_119.0825 0.002
fragment_255.1325 0.002
fragment_221.1325 0.002
loss_74.0375 0.002
fragment_431.2425 0.002
fragment_183.1175 0.002
fragment_343.2225 0.002
fragment_353.2125 0.002
fragment_119.0875 0.002
fragment_293.1875 0.002
fragment_159.0775 0.002
fragment_229.1225 0.002
fragment_83.0475 0.002
fragment_439.2275 0.002
fragment_183.0775 0.002
fragment_512.2625 0.001
fragment_357.2075 0.001
fragment_161.1325 0.001
fragment_201.1275 0.001
loss_133.0575 0.001
fragment_253.1925 0.001
fragment_131.0825 0.001
fragment_95.0825 0.001
loss_182.0625 0.001
fragment_143.0825 0.001
fragment_173.0925 0.001
fragment_522.2425 0.001
fragment_135.0775 0.001
loss_116.0475 0.001
fragment_406.1975 0.001
fragment_147.1175 0.001
fragment_191.1075 0.001
fragment_512.2575 0.001
fragment_498.2475 0.001
loss_152.0725 0.001
fragment_121.1025 0.001
fragment_336.1575 0.001
loss_161.0525 0.001
fragment_540.2525 0.001
fragment_199.1475 0.001
fragment_508.2675 0.001
fragment_107.0875 0.001
fragment_371.2175 0.001
fragment_582.2625 0.001
fragment_161.0975 0.001
fragment_201.0925 0.001
fragment_235.1475 0.001
fragment_159.0825 0.001
fragment_671.3175 0.001
fragment_628.3075 0.001
fragment_321.1825 0.001
fragment_211.1125 0.001
fragment_175.1125 0.001
fragment_523.2525 0.001
fragment_217.1225 0.001
fragment_452.2425 0.001
loss_59.0225 0.001
fragment_169.0975 0.001
fragment_569.2925 0.001
loss_183.0575 0.001

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_4170 656.3078 656.3078 None 0.952 0.662
document_3627 614.2965 614.2965 None 0.951 0.640
document_4335 670.3236 670.3236 None 0.950 0.578
document_3625 614.2964 614.2964 None 0.916 0.621
document_4171 656.3078 656.3078 None 0.914 0.590
document_3990 642.2921 642.2921 None 0.888 0.573
document_3989 642.2916 642.2916 None 0.813 0.564
document_3988 642.2913 642.2913 None 0.810 0.597
document_4660 704.3081 704.3081 None 0.768 0.518
document_4168 656.3076 656.3076 None 0.724 0.595
document_3630 614.2970 614.2970 None 0.534 0.338
document_3945 639.2787 639.2787 None 0.504 0.313
document_3632 614.2972 614.2972 None 0.487 0.448
document_4334 670.3221 670.3221 None 0.473 0.515
document_3057 568.2908 568.2908 None 0.464 0.310
document_218 344.1790 344.1790 None 0.396 0.140
document_2880 554.2754 554.2754 None 0.371 0.253
document_4175 656.3429 656.3429 None 0.338 0.468
document_3082 570.3062 570.3062 None 0.262 0.247
document_4169 656.3077 656.3077 None 0.176 0.310
document_4352 672.3019 672.3019 None 0.151 0.547
document_3276 586.3009 586.3009 None 0.151 0.209
document_4231 660.2994 660.2994 None 0.102 0.281
document_4429 678.2909 678.2909 None 0.089 0.313
document_3434 599.2838 599.2838 None 0.076 0.353
document_5059 776.3272 776.3272 None 0.055 0.199

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.