Mass2Motif: motif_147

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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 0.9683078382069361. 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_233.1500 0.320
fragment_74.0500 0.280
fragment_140.0500 0.235
fragment_234.1500 0.026
loss_56.3500 0.007
fragment_96.0500 0.006
fragment_72.0500 0.006
loss_177.0500 0.006
fragment_842.3500 0.006
loss_134.8500 0.004
fragment_948.9500 0.004
fragment_75.0500 0.003
loss_174.2500 0.003
fragment_828.3500 0.003
loss_168.8500 0.003
fragment_914.9500 0.003
fragment_220.0500 0.003
fragment_198.0500 0.002
loss_120.1500 0.002
fragment_942.9500 0.002
loss_140.8500 0.002
loss_57.2500 0.002
fragment_872.9500 0.002
fragment_967.9500 0.002
loss_115.8500 0.002
fragment_523.6500 0.002
fragment_244.9500 0.002
fragment_864.9500 0.002
fragment_982.9500 0.002
loss_100.8500 0.002
fragment_199.1500 0.002
fragment_835.3500 0.002
fragment_383.1500 0.002
loss_64.8500 0.002
fragment_856.4500 0.002
loss_196.1500 0.002
fragment_184.9500 0.002
fragment_753.4500 0.002
fragment_447.9500 0.001
fragment_303.0500 0.001
fragment_154.4500 0.001
fragment_410.0500 0.001
fragment_208.1500 0.001
loss_31.2500 0.001
fragment_270.5500 0.001

Counts of Classyfire Substituent terms

Term name Count in motif Percentage in motif Percentage in experiment Absolute difference
Hydrocarbon derivative 156 100 100 0
Organooxygen compound 151 96.8 95.3 1.5
Organic nitrogen compound 84 53.8 55.6 1.8
Organonitrogen compound 83 53.2 54.1 0.9
Organopnictogen compound 70 44.9 45.2 0.4
Carbonyl group 69 44.2 44.0 0.2
Azacycle 31 19.9 22.6 2.7
Benzenoid 25 16.0 18.3 2.3
Aromatic heteropolycyclic compound 15 9.6 9.6 0.0
Organoheterocyclic compound 11 7.1 13.3 6.3
Heteroaromatic compound 10 6.4 5.8 0.7
Aliphatic acyclic compound 9 5.8 2.9 2.8
Oxacycle 9 5.8 7.9 2.1
Amine 8 5.1 4.4 0.8
Carboxamide group 5 3.2 5.5 2.3
Alcohol 3 1.9 14.7 12.7
Oxane 2 1.3 1.9 0.6
Secondary alcohol 2 1.3 7.7 6.4
Glycosyl compound 2 1.3 0.7 0.5
Carboxylic acid ester 2 1.3 1.8 0.5
Primary alcohol 1 0.6 0.9 0.2
Polyol 1 0.6 1.6 0.9
Acetal 1 0.6 1.5 0.8
Monosaccharide 1 0.6 0.1 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_1707 472.3390 472.3390 None 0.896 0.283
document_5893 1083.7730 1083.7730 None 0.880 0.069
document_1704 472.3390 472.3390 None 0.872 0.283
document_1831 482.1840 482.1840 None 0.863 0.237
document_1824 482.1830 482.1830 None 0.831 0.242
document_1829 482.1830 482.1830 None 0.810 0.242
document_1705 472.3380 472.3380 None 0.806 0.280
document_1706 472.3380 472.3380 None 0.802 0.288
document_1827 482.1830 482.1830 None 0.784 0.245
document_1174 440.2740 440.2740 None 0.780 0.320
document_1708 472.3390 472.3390 None 0.775 0.279
document_1823 482.1820 482.1820 None 0.723 0.242
document_1828 482.1830 482.1830 None 0.705 0.242
document_1825 482.1830 482.1830 None 0.705 0.244
document_1832 482.1850 482.1850 None 0.601 0.524
document_1826 482.1830 482.1830 None 0.601 0.235
document_175 407.0880 407.0880 None 0.582 0.285
document_176 407.2850 407.2850 None 0.545 0.287
document_1218 441.2970 441.2970 None 0.515 0.355
document_172 406.3870 406.3870 None 0.513 0.280
document_1269 443.2390 443.2390 None 0.460 0.346
document_1220 443.0070 443.0070 None 0.436 0.324
document_1636 467.3050 467.3050 None 0.416 0.279
document_1830 482.1840 482.1840 None 0.414 0.236
document_1261 443.2420 443.2420 None 0.409 0.358
document_1596 464.1740 464.1740 None 0.399 0.280
document_1904 487.2900 487.2900 None 0.383 0.348
document_1271 443.2470 443.2470 None 0.371 0.346
document_1268 443.2390 443.2390 None 0.356 0.320
document_1263 443.2390 443.2390 None 0.350 0.352
document_173 406.3870 406.3870 None 0.318 0.521
document_84 401.2850 401.2850 None 0.298 0.287
document_1599 464.3690 464.3690 None 0.294 0.283
document_1511 459.3200 459.3200 None 0.291 0.324
document_1215 442.3790 442.3790 None 0.288 0.346
document_1222 441.2980 441.2980 None 0.283 0.320
document_1221 442.4490 442.4490 None 0.280 0.346
document_174 407.1470 407.1470 None 0.264 0.280
document_1996 495.2120 495.2120 None 0.245 0.562
document_810 429.2440 429.2440 None 0.218 0.347
document_1784 479.4390 479.4390 None 0.214 0.278
document_812 429.2430 429.2430 None 0.202 0.322
document_416 417.2030 417.2030 None 0.193 0.235
document_1262 443.2370 443.2370 None 0.191 0.320
document_127 403.2460 403.2460 None 0.184 0.606
document_823 429.2460 429.2460 None 0.183 0.322
document_822 429.2460 429.2460 None 0.177 0.557
document_1132 437.2300 437.2300 None 0.171 0.279
document_1585 463.3010 463.3010 None 0.170 0.278
document_1590 463.3020 463.3020 None 0.170 0.280
document_1264 443.2370 443.2370 None 0.153 0.557
document_2519 532.3700 532.3700 None 0.153 0.320
document_820 429.2460 429.2460 None 0.152 0.347
document_824 429.2460 429.2460 None 0.152 0.328
document_130 403.2550 403.2550 None 0.151 0.839
document_3642 639.3540 639.3540 None 0.142 0.235
document_3878 664.4630 664.4630 None 0.140 0.320
document_829 429.2460 429.2460 None 0.134 0.322
document_1844 483.2280 483.2280 None 0.132 0.320
document_1364 450.1960 450.1960 None 0.131 0.235
document_1582 463.3010 463.3010 None 0.129 0.286
document_1265 443.2380 443.2380 None 0.129 0.556
document_676 423.2350 423.2350 None 0.129 0.235
document_344 413.2520 413.2520 None 0.127 0.235
document_1588 463.3010 463.3010 None 0.125 0.277
document_1193 441.1680 441.1680 B21A03 0.124 0.562
document_2922 569.9730 569.9730 None 0.122 0.279
document_2043 497.3840 497.3840 None 0.122 0.346
document_1129 437.2340 437.2340 None 0.121 0.235
document_304 413.2150 413.2150 None 0.119 0.324
document_821 429.2460 429.2460 None 0.118 0.322
document_309 413.2250 413.2250 None 0.118 0.556
document_2263 507.2980 507.2980 None 0.117 0.280
document_5681 859.5370 859.5370 None 0.114 0.279
document_1624 467.1220 467.1220 None 0.112 0.280
document_1287 443.3250 443.3250 None 0.110 0.285
document_29 401.1930 401.1930 None 0.110 0.235
document_1692 471.2930 471.2930 None 0.110 0.279
document_2017 496.1600 496.1600 None 0.109 0.280
document_91 402.4470 402.4470 None 0.108 0.235
document_1729 473.3440 473.3440 None 0.108 0.513
document_3507 631.3630 631.3630 None 0.107 0.347
document_1564 463.2760 463.2760 None 0.107 0.277
document_5724 884.5920 884.5920 None 0.104 0.346
document_459 420.3370 420.3370 None 0.101 0.236
document_1580 463.3000 463.3000 None 0.101 0.279
document_2447 526.1720 526.1720 None 0.100 0.515
document_5824 959.5150 959.5150 None 0.099 0.320
document_826 429.2460 429.2460 None 0.099 0.610
document_2292 510.7500 510.7500 None 0.098 0.280
document_3651 639.3270 639.3270 None 0.093 0.235
document_4125 683.4340 683.4340 None 0.092 0.235
document_1719 473.2380 473.2380 None 0.090 0.008
document_4122 683.4340 683.4340 None 0.090 0.234
document_737 427.1970 427.1970 None 0.089 0.320
document_825 429.2460 429.2460 None 0.087 0.325
document_1935 489.8280 489.8280 None 0.087 0.322
document_1535 461.7260 461.7260 None 0.086 0.326
document_5650 840.5670 840.5670 None 0.084 0.346
document_4568 708.4870 708.4870 None 0.082 0.346
document_1726 473.3430 473.3430 None 0.082 0.280
document_834 430.1070 430.1070 None 0.081 0.278
document_5459 785.3090 785.3090 None 0.080 0.320
document_5288 757.4710 757.4710 None 0.078 0.234
document_1272 443.2540 443.2540 None 0.078 0.327
document_1488 457.4000 457.4000 None 0.078 0.280
document_3645 639.3570 639.3570 None 0.077 0.235
document_1273 443.2490 443.2490 None 0.076 0.320
document_2980 576.3310 576.3310 None 0.076 0.320
document_3074 588.2730 588.2730 None 0.074 0.280
document_5637 838.8370 838.8370 None 0.074 0.280
document_357 413.2800 413.2800 None 0.074 0.279
document_1197 441.1950 441.1950 None 0.073 0.320
document_2577 539.1700 539.1700 None 0.073 0.320
document_89 401.2860 401.2860 Massbank:FFF00098 24-Ethylcoprostanol 0.072 0.323
document_1382 451.4220 451.4220 None 0.072 0.261
document_2557 536.1640 536.1640 None 0.071 0.280
document_3187 595.3810 595.3810 None 0.070 0.235
document_2772 557.3280 557.3280 None 0.070 0.286
document_3127 590.4260 590.4260 None 0.069 0.235
document_266 413.2010 413.2010 None 0.069 0.284
document_527 421.1520 421.1520 None 0.068 0.235
document_5497 796.5410 796.5410 None 0.068 0.320
document_406 415.3010 415.3010 None 0.067 0.279
document_724 427.0740 427.0740 None 0.067 0.514
document_1154 438.5040 438.5040 None 0.067 0.235
document_4542 705.4010 705.4010 None 0.066 0.235
document_818 429.2450 429.2450 None 0.066 0.321
document_1130 437.2300 437.2300 None 0.066 0.279
document_799 429.1920 429.1920 None 0.065 0.276
document_1861 485.2690 485.2690 None 0.064 0.279
document_1578 463.2920 463.2920 None 0.064 0.320
document_1602 465.1980 465.1980 None 0.063 0.320
document_3394 616.4560 616.4560 None 0.063 0.348
document_1934 489.3060 489.3060 CYTIDINE 5'-DIPHOSPHOCHOLINE 0.062 0.327
document_1983 495.0870 495.0870 None 0.062 0.279
document_1948 490.2380 490.2380 None 0.062 0.327
document_1700 472.2750 472.2750 None 0.061 0.235
document_1568 463.2770 463.2770 None 0.060 0.235
document_3671 639.4080 639.4080 None 0.059 0.235
document_1882 485.3780 485.3780 None 0.059 0.515
document_3157 595.3390 595.3390 None 0.058 0.235
document_3130 592.8330 592.8330 None 0.058 0.283
document_54 401.2480 401.2480 None 0.057 0.239
document_1589 463.3010 463.3010 None 0.057 0.280
document_2828 564.2950 564.2950 None 0.056 0.320
document_4911 727.4600 727.4600 None 0.056 0.235
document_1134 437.2310 437.2310 None 0.056 0.280
document_1631 467.1660 467.1660 None 0.055 0.235
document_3989 678.2930 678.2930 None 0.054 0.323
document_1685 471.1050 471.1050 None 0.054 0.280
document_4154 686.4740 686.4740 None 0.054 0.026
document_2008 495.2830 495.2830 None 0.052 0.235
document_210 408.7440 408.7440 None 0.051 0.602
document_1225 441.3060 441.3060 None 0.051 0.324
document_539 422.3810 422.3810 None 0.050 0.282

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.