Mass2Motif: motif_48

Return to experiment crusemann

Mass2Motif Annotation

The following are the full annotation and the short annotation (used for network visualisation) assigned to this Mass2Motif.

Annotation: Salinispora arenicola related fragment [123] and Arenimycin related fragments

Short Annotation: Salinispora arenicola related fragment [123] and Arenimycin related fragments

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 0.9551752058827531. 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_123.0500 0.487
fragment_458.0500 0.061
fragment_426.0500 0.050
fragment_427.0500 0.024
fragment_244.0500 0.021
fragment_287.9500 0.020
fragment_111.1500 0.020
loss_174.9500 0.018
fragment_227.0500 0.016
fragment_126.4500 0.014
loss_190.9500 0.014
fragment_98.0500 0.010
fragment_57.0500 0.009
fragment_289.0500 0.009
fragment_262.1500 0.008
fragment_84.9500 0.008
fragment_371.0500 0.008
fragment_428.0500 0.007
fragment_245.0500 0.007
fragment_260.0500 0.007
loss_173.9500 0.006
fragment_267.0500 0.006
fragment_459.0500 0.006
fragment_618.1500 0.005
fragment_620.7500 0.005
fragment_610.3500 0.004
fragment_459.1500 0.004
fragment_247.5500 0.004
fragment_392.0500 0.004
loss_189.9500 0.004
fragment_55.0500 0.004
fragment_85.0500 0.004
loss_50.0500 0.004
fragment_99.0500 0.004
fragment_482.0500 0.004
fragment_289.9500 0.003
fragment_75.0500 0.003
fragment_330.0500 0.003
fragment_168.0500 0.003
loss_192.5500 0.003
fragment_497.8500 0.003
fragment_547.1500 0.003
fragment_356.0500 0.003
fragment_518.1500 0.003
loss_142.3500 0.003
fragment_501.1500 0.002
fragment_216.0500 0.002
fragment_271.0500 0.002
fragment_472.0500 0.002
fragment_619.1500 0.002
fragment_252.0500 0.002
fragment_179.9500 0.002
fragment_186.3500 0.002
loss_49.0500 0.002
fragment_260.9500 0.002
fragment_390.0500 0.002
fragment_476.1500 0.001
fragment_122.0500 0.001
fragment_332.0500 0.001
fragment_349.0500 0.001
loss_48.0500 0.001
loss_82.0500 0.001
fragment_69.0500 0.001
fragment_620.1500 0.001
fragment_586.1500 0.001
loss_177.1500 0.001
fragment_193.9500 0.001
fragment_492.0500 0.001
loss_57.1500 0.001
fragment_564.9500 0.001
fragment_429.0500 0.001
fragment_310.1500 0.001

Counts of Classyfire Substituent terms

Term name Count in motif Percentage in motif Percentage in experiment Absolute difference
Hydrocarbon derivative 56 100 100 0
Organooxygen compound 53 94.6 95.3 0.7
Organic nitrogen compound 27 48.2 55.6 7.4
Organonitrogen compound 26 46.4 54.1 7.7
Carbonyl group 23 41.1 44.0 3.0
Organopnictogen compound 20 35.7 45.2 9.5
Alcohol 12 21.4 14.7 6.8
Azacycle 11 19.6 22.6 3.0
Benzenoid 10 17.9 18.3 0.5
Organoheterocyclic compound 8 14.3 13.3 1.0
Secondary alcohol 5 8.9 7.7 1.2
Oxacycle 4 7.1 7.9 0.8
Heteroaromatic compound 3 5.4 5.8 0.4
Aliphatic acyclic compound 3 5.4 2.9 2.4
Carboxamide group 2 3.6 5.5 1.9
Aromatic heteropolycyclic compound 2 3.6 9.6 6.1
Amine 1 1.8 4.4 2.6
Primary amine 1 1.8 0.5 1.3
Carboxylic acid ester 1 1.8 1.8 0.0
Polyol 1 1.8 1.6 0.2
1-hydroxy-2-unsubstituted benzenoid 1 1.8 1.3 0.5
1-hydroxy-4-unsubstituted benzenoid 1 1.8 0.2 1.6

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_5601 825.3070 825.3070 None 0.977 0.164
document_3907 668.1960 668.1960 Arenimycin A 0.907 0.216
document_3908 668.1970 668.1970 Arenimycin A 0.852 0.224
document_415 418.0490 418.0490 None 0.620 0.088
document_4355 696.1880 696.1880 None 0.511 0.529
document_2673 549.1720 549.1720 None 0.417 0.502
document_5490 795.2960 795.2960 None 0.305 0.151
document_5537 809.3120 809.3120 Arenimycin B 0.292 0.206
document_1607 465.2400 465.2400 None 0.282 0.026
document_5602 825.3070 825.3070 None 0.269 0.174
document_1544 462.4050 462.4050 None 0.255 0.506
document_4520 704.4700 704.4700 None 0.230 0.492
document_4264 690.4020 690.4020 None 0.218 0.020
document_342 413.2580 413.2580 None 0.208 0.487
document_3607 638.1570 638.1570 None 0.207 0.511
document_3131 591.2060 591.2060 None 0.179 0.506
document_1350 448.2400 448.2400 None 0.178 0.495
document_4724 716.4160 716.4160 None 0.161 0.497
document_3785 652.1740 652.1740 None 0.156 0.487
document_3430 622.0210 622.0210 None 0.155 0.512
document_5035 737.9450 737.9450 None 0.145 0.500
document_4671 716.4150 716.4150 None 0.143 0.501
document_3285 607.8130 607.8130 None 0.142 0.487
document_4402 703.8040 703.8040 None 0.137 0.031
document_4517 705.0320 705.0320 None 0.125 0.500
document_4718 716.4150 716.4150 None 0.115 0.488
document_3589 638.1450 638.1450 None 0.115 0.506
document_1887 486.2030 486.2030 None 0.112 0.491
document_5054 738.4300 738.4300 None 0.109 0.023
document_3171 595.2870 595.2870 None 0.107 0.487
document_4702 716.4150 716.4150 None 0.106 0.488
document_3613 638.2600 638.2600 None 0.104 0.487
document_4528 704.4150 704.4150 None 0.093 0.497
document_101 402.2770 402.2770 None 0.093 0.487
document_1886 486.2030 486.2030 None 0.091 0.487
document_4190 688.9900 688.9900 None 0.088 0.500
document_5049 738.4150 738.4150 None 0.086 0.488
document_4880 726.2570 726.2570 None 0.080 0.494
document_5193 744.4430 744.4430 None 0.077 0.498
document_3735 646.0820 646.0820 None 0.076 0.487
document_3536 634.2650 634.2650 None 0.069 0.489
document_4774 718.4300 718.4300 None 0.063 0.488
document_4171 689.9070 689.9070 None 0.062 0.504
document_5044 738.3950 738.3950 None 0.061 0.487
document_5353 767.2130 767.2130 None 0.059 0.497
document_4674 716.4150 716.4150 None 0.059 0.492
document_486 419.2780 419.2780 None 0.059 0.497
document_1377 451.1210 451.1210 None 0.058 0.492
document_4183 690.1000 690.1000 None 0.057 0.503
document_4606 710.4740 710.4740 None 0.056 0.486
document_3436 622.0290 622.0290 None 0.056 0.508
document_1178 440.2760 440.2760 None 0.054 0.510
document_1919 487.3660 487.3660 None 0.054 0.487
document_3608 638.2090 638.2090 None 0.053 0.490
document_4241 690.4020 690.4020 None 0.053 0.501
document_5034 738.2150 738.2150 None 0.051 0.493

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.