Mass2Motif: motif_238

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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: Terpene related motif II - Streptomyces related

Short Annotation: Terpene related motif II

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 0.9593402618942821. 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_439.3500 0.225
fragment_457.3500 0.147
fragment_421.3500 0.102
fragment_440.3500 0.096
fragment_458.3500 0.054
fragment_615.3500 0.049
fragment_422.3500 0.033
fragment_616.3500 0.019
fragment_403.3500 0.010
fragment_341.9500 0.009
fragment_555.3500 0.009
fragment_145.0500 0.009
fragment_141.0500 0.009
fragment_813.4500 0.008
loss_198.0500 0.008
loss_146.0500 0.008
fragment_547.0500 0.008
fragment_381.3500 0.008
fragment_475.3500 0.008
fragment_633.3500 0.006
fragment_305.0500 0.006
loss_124.6500 0.005
fragment_834.8500 0.005
fragment_159.0500 0.005
fragment_616.4500 0.005
fragment_309.1500 0.005
fragment_651.4500 0.004
fragment_129.0500 0.004
fragment_966.2500 0.004
fragment_571.4500 0.004
fragment_321.0500 0.003
fragment_548.0500 0.003
fragment_634.4500 0.003
fragment_342.9500 0.003
loss_145.0500 0.003
fragment_339.0500 0.003
fragment_168.8500 0.003
fragment_567.4500 0.002
fragment_580.3500 0.002
fragment_814.4500 0.002
fragment_310.1500 0.002
fragment_383.1500 0.002
fragment_288.2500 0.002
fragment_115.0500 0.002
fragment_179.1500 0.002
fragment_501.1500 0.002
fragment_652.4500 0.002
fragment_634.3500 0.002
fragment_765.3500 0.002
loss_197.0500 0.002
fragment_405.3500 0.002
fragment_356.1500 0.002
fragment_126.1500 0.002
fragment_191.1500 0.002
fragment_945.5500 0.002
fragment_582.3500 0.002
fragment_205.1500 0.002
fragment_535.3500 0.002
fragment_556.3500 0.002
fragment_633.4500 0.001
fragment_409.3500 0.001
fragment_248.2500 0.001
fragment_765.4500 0.001
fragment_456.3500 0.001
fragment_459.3500 0.001
fragment_209.3500 0.001
fragment_90.5500 0.001
fragment_571.3500 0.001
fragment_161.1500 0.001
fragment_269.5500 0.001
loss_29.9500 0.001
fragment_574.0500 0.001
fragment_783.4500 0.001
fragment_795.4500 0.001
fragment_189.1500 0.001
fragment_763.3500 0.001
fragment_335.2500 0.001
fragment_554.3500 0.001

Counts of Classyfire Substituent terms

Term name Count in motif Percentage in motif Percentage in experiment Absolute difference
Hydrocarbon derivative 39 100 100 0
Organooxygen compound 39 100 95.3 4.7
Alcohol 20 51.3 14.7 36.6
Organoheterocyclic compound 20 51.3 13.3 38.0
Secondary alcohol 18 46.2 7.7 38.4
Carbonyl group 16 41.0 44.0 3.0
Oxane 15 38.5 1.9 36.6
Oxacycle 15 38.5 7.9 30.6
Acetal 13 33.3 1.5 31.9
Organic nitrogen compound 12 30.8 55.6 24.9
Organonitrogen compound 12 30.8 54.1 23.3
Glycosyl compound 9 23.1 0.7 22.3
O-glycosyl compound 8 20.5 1.2 19.3
Polyol 8 20.5 1.6 18.9
Organopnictogen compound 7 17.9 45.2 27.3
Aliphatic heteropolycyclic compound 4 10.3 0.1 10.1
Azacycle 4 10.3 22.6 12.4
Primary alcohol 2 5.1 0.9 4.3
Benzenoid 2 5.1 18.3 13.2
Aromatic heteropolycyclic compound 2 5.1 9.6 4.5
Carboxylic acid ester 1 2.6 1.8 0.8
Cyclic alcohol 1 2.6 0.0 2.5
Heteroaromatic compound 1 2.6 5.8 3.2

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_5828 959.5190 959.5190 None 0.937 0.539
document_5805 945.5040 945.5040 None 0.911 0.474
document_5921 1269.6060 1269.6060 None 0.888 0.778
document_5903 1107.5551 1107.5551 None 0.885 0.775
document_5822 959.5180 959.5180 None 0.872 0.753
document_5552 813.4610 813.4610 None 0.865 0.499
document_5549 813.4600 813.4600 None 0.861 0.750
document_5919 1253.6090 1253.6090 None 0.861 0.728
document_5895 1091.5590 1091.5590 None 0.858 0.727
document_5842 975.5130 975.5130 None 0.845 0.786
document_5896 1091.5630 1091.5630 None 0.824 0.444
document_5770 915.4910 915.4910 None 0.824 0.667
document_5804 945.5020 945.5020 None 0.791 0.733
document_5551 813.4610 813.4610 None 0.780 0.770
document_5843 975.5130 975.5130 None 0.775 0.592
document_5769 915.4910 915.4910 None 0.772 0.642
document_5826 959.5150 959.5150 None 0.732 0.523
document_5792 941.5060 941.5060 None 0.731 0.712
document_5829 959.5210 959.5210 None 0.682 0.539
document_5827 959.5150 959.5150 None 0.681 0.523
document_5550 813.4570 813.4570 None 0.664 0.551
document_5824 959.5150 959.5150 None 0.573 0.724
document_3265 604.0650 604.0650 None 0.567 0.030
document_5793 941.5070 941.5070 None 0.501 0.432
document_5795 941.5070 941.5070 None 0.471 0.334
document_5796 941.5110 941.5110 None 0.440 0.431
document_3331 612.3990 612.3990 None 0.391 0.216
document_5830 959.5210 959.5210 None 0.378 0.658
document_5820 957.5050 957.5050 None 0.367 0.483
document_5794 941.5080 941.5080 None 0.329 0.477
document_5289 757.5780 757.5780 Acyl desferrioxamine C15 0.139 0.320
document_5818 957.5020 957.5020 None 0.132 0.464
document_2052 497.6180 497.6180 None 0.110 0.203
document_5817 957.4930 957.4930 None 0.102 0.235
document_3213 598.3830 598.3830 None 0.080 0.140
document_5290 757.5850 757.5850 None 0.079 0.320
document_5924 1311.6190 1311.6190 None 0.069 0.231
document_2053 498.1880 498.1880 None 0.069 0.147
document_2291 510.3740 510.3740 None 0.053 0.430

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.