Mass2Motif: motif_231

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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 0.9879493652057584. 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_177.0500 0.863
fragment_178.0500 0.079
fragment_207.0500 0.026
fragment_96.0500 0.008
fragment_69.0500 0.004
fragment_148.0500 0.002
loss_168.1500 0.002
fragment_57.0500 0.001
fragment_94.0500 0.001
fragment_253.0500 0.001

Counts of Classyfire Substituent terms

Term name Count in motif Percentage in motif Percentage in experiment Absolute difference
Hydrocarbon derivative 360 100 100 0
Organooxygen compound 356 98.9 95.3 3.6
Benzenoid 218 60.6 18.3 42.2
Aromatic heteropolycyclic compound 176 48.9 9.6 39.2
Organic nitrogen compound 121 33.6 55.6 22.0
Organonitrogen compound 85 23.6 54.1 30.5
Organopnictogen compound 78 21.7 45.2 23.6
Heteroaromatic compound 69 19.2 5.8 13.4
Carbonyl group 48 13.3 44.0 30.7
Azacycle 47 13.1 22.6 9.6
Oxacycle 39 10.8 7.9 2.9
Organoheterocyclic compound 22 6.1 13.3 7.2
Alcohol 8 2.2 14.7 12.4
1-hydroxy-2-unsubstituted benzenoid 7 1.9 1.3 0.7
Secondary alcohol 6 1.7 7.7 6.0
Carboxylic acid ester 4 1.1 1.8 0.7
Polyol 3 0.8 1.6 0.8
Oxane 3 0.8 1.9 1.1
Amine 2 0.6 4.4 3.8
Aliphatic acyclic compound 2 0.6 2.9 2.4
O-glycosyl compound 2 0.6 1.2 0.6
Acetal 2 0.6 1.5 0.9
Vinylogous acid 2 0.6 0.1 0.5
Carboxamide group 1 0.3 5.5 5.2
Phenol 1 0.3 0.5 0.2

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_533 421.1580 421.1580 None 0.846 0.980
document_645 421.2380 421.2380 None 0.843 0.981
document_531 421.1580 421.1580 None 0.829 0.982
document_1044 433.2120 433.2120 None 0.825 0.977
document_1040 433.2140 433.2140 None 0.799 0.985
document_960 433.0190 433.0190 None 0.794 0.982
document_535 421.1840 421.1840 None 0.793 0.984
document_534 421.1580 421.1580 None 0.786 0.981
document_1042 433.1940 433.1940 None 0.751 0.968
document_529 421.1620 421.1620 None 0.747 0.982
document_1043 433.2070 433.2070 None 0.739 0.955
document_1041 433.1930 433.1930 None 0.734 0.982
document_642 421.2350 421.2350 None 0.731 0.955
document_1575 463.2860 463.2860 None 0.731 0.976
document_2202 505.3090 505.3090 MLS000563039-01! 0.725 0.984
document_2550 535.3290 535.3290 None 0.717 0.982
document_644 421.2370 421.2370 None 0.709 0.947
document_2553 535.3370 535.3370 None 0.703 0.951
document_4535 705.3860 705.3860 None 0.695 0.966
document_1747 475.3230 475.3230 None 0.694 0.984
document_659 421.2360 421.2360 None 0.687 0.970
document_1045 433.2430 433.2430 None 0.682 0.984
document_4552 705.4000 705.4000 None 0.678 0.975
document_1574 463.2850 463.2850 None 0.676 0.943
document_1731 474.6890 474.6890 None 0.669 0.967
document_4548 705.3990 705.3990 None 0.656 0.966
document_4549 705.3990 705.3990 None 0.644 0.970
document_1552 463.2760 463.2760 None 0.637 0.981
document_1280 443.2990 443.2990 None 0.626 0.972
document_530 421.2010 421.2010 None 0.609 0.975
document_532 421.1700 421.1700 None 0.608 0.980
document_4494 703.3850 703.3850 None 0.571 0.965
document_4394 703.2310 703.2310 None 0.566 0.971
document_661 421.2400 421.2400 None 0.566 0.967
document_4547 705.4000 705.4000 None 0.560 0.965
document_2345 513.3740 513.3740 None 0.558 0.968
document_4534 705.3440 705.3440 None 0.553 0.966
document_657 421.2360 421.2360 None 0.550 0.980
document_4493 705.2270 705.2270 None 0.542 0.976
document_4551 705.3990 705.3990 None 0.538 0.890
document_4550 705.4000 705.4000 None 0.536 0.966
document_3942 673.3250 673.3250 None 0.530 0.968
document_2784 559.4170 559.4170 None 0.522 0.956
document_3101 589.4270 589.4270 None 0.522 0.956
document_633 421.2360 421.2360 None 0.515 0.979
document_4487 703.3830 703.3830 None 0.493 0.973
document_3946 673.3730 673.3730 None 0.492 0.967
document_2783 559.4460 559.4460 None 0.487 0.956
document_3103 589.4270 589.4270 None 0.486 0.951
document_1049 433.2760 433.2760 None 0.485 0.969
document_650 421.2360 421.2360 None 0.476 0.975
document_643 421.2350 421.2350 None 0.464 0.966
document_1283 443.3210 443.3210 None 0.462 0.864
document_593 421.2390 421.2390 None 0.459 0.977
document_1062 433.2810 433.2810 None 0.457 0.943
document_1224 443.1010 443.1010 None 0.454 0.968
document_2472 527.3890 527.3890 None 0.450 0.959
document_663 421.3010 421.3010 None 0.446 0.968
document_158 405.2440 405.2440 None 0.441 0.967
document_1054 433.2800 433.2800 None 0.438 0.975
document_653 421.2380 421.2380 None 0.432 0.967
document_1056 433.2760 433.2760 None 0.431 0.967
document_4658 715.4210 715.4210 None 0.431 0.968
document_625 421.2370 421.2370 None 0.430 0.975
document_655 421.2370 421.2370 None 0.429 0.973
document_651 421.2390 421.2390 None 0.425 0.965
document_1282 443.3170 443.3170 None 0.423 0.942
document_1063 433.2770 433.2770 None 0.420 0.941
document_1058 433.2760 433.2760 None 0.420 0.961
document_654 421.2370 421.2370 None 0.419 0.966
document_3511 631.4760 631.4760 None 0.413 0.956
document_426 421.2110 421.2110 None 0.412 0.966
document_1874 485.3450 485.3450 None 0.411 0.982
document_638 421.2400 421.2400 None 0.408 0.971
document_1047 433.2770 433.2770 None 0.408 0.981
document_1730 473.8560 473.8560 None 0.406 0.957
document_1059 433.2760 433.2760 None 0.405 0.977
document_1270 443.2780 443.2780 None 0.403 0.942
document_1053 433.2760 433.2760 None 0.401 0.979
document_2474 527.3900 527.3900 None 0.397 0.952
document_5028 735.4100 735.4100 None 0.396 0.967
document_552 421.2370 421.2370 None 0.395 0.979
document_3943 673.2710 673.2710 None 0.394 0.973
document_1048 433.2760 433.2760 None 0.392 0.972
document_4476 703.3620 703.3620 None 0.387 0.965
document_1065 433.2800 433.2800 None 0.384 0.966
document_4901 727.3820 727.3820 None 0.381 0.855
document_1693 474.9670 474.9670 None 0.380 0.981
document_1061 433.2770 433.2770 None 0.378 0.966
document_4973 732.5490 732.5490 None 0.376 0.895
document_433 421.2020 421.2020 None 0.376 0.978
document_944 430.9140 430.9140 None 0.375 0.967
document_1064 433.2780 433.2780 None 0.370 0.979
document_1052 433.2760 433.2760 None 0.368 0.966
document_634 421.2390 421.2390 None 0.368 0.973
document_635 421.2340 421.2340 None 0.364 0.964
document_2637 545.3770 545.3770 None 0.363 0.889
document_1236 442.7340 442.7340 None 0.355 0.942
document_621 421.2370 421.2370 None 0.353 0.958
document_1281 443.3000 443.3000 None 0.351 0.940
document_4889 727.3690 727.3690 None 0.351 0.973
document_1051 433.2760 433.2760 None 0.348 0.973
document_13 401.1760 401.1760 None 0.347 0.969
document_660 421.2430 421.2430 None 0.347 0.945
document_1576 463.2960 463.2960 None 0.346 0.943
document_2514 531.3860 531.3860 None 0.346 0.871
document_985 430.9130 430.9130 None 0.344 0.965
document_636 421.2350 421.2350 None 0.342 0.942
document_4393 703.6900 703.6900 None 0.339 0.973
document_50 401.3270 401.3270 None 0.335 0.969
document_974 430.9140 430.9140 None 0.331 0.976
document_3510 631.4770 631.4770 None 0.329 0.956
document_1050 433.2740 433.2740 None 0.328 0.968
document_949 430.9130 430.9130 None 0.324 0.974
document_1055 433.2750 433.2750 None 0.313 0.967
document_2221 505.3460 505.3460 None 0.308 0.981
document_1551 463.2860 463.2860 None 0.307 0.970
document_2405 521.3300 521.3300 None 0.305 0.884
document_1875 485.3450 485.3450 None 0.303 0.865
document_54 401.2480 401.2480 None 0.302 0.945
document_2638 545.4010 545.4010 None 0.302 0.968
document_4903 727.3830 727.3830 None 0.299 0.889
document_649 421.2410 421.2410 None 0.298 0.943
document_1748 475.3240 475.3240 None 0.297 0.966
document_183 407.2240 407.2240 None 0.294 0.968
document_4488 703.3840 703.3840 None 0.293 0.972
document_76 401.2630 401.2630 None 0.291 0.863
document_3100 589.4260 589.4260 None 0.286 0.981
document_486 419.2780 419.2780 None 0.286 0.968
document_157 405.9570 405.9570 None 0.286 0.981
document_2346 513.3740 513.3740 None 0.284 0.968
document_1750 475.3570 475.3570 None 0.283 0.890
document_1732 473.3440 473.3440 None 0.283 0.863
document_4543 705.3990 705.3990 None 0.275 0.968
document_658 421.2390 421.2390 None 0.275 0.963
document_954 430.9130 430.9130 None 0.271 0.966
document_3242 601.4640 601.4640 None 0.269 0.956
document_844 430.9090 430.9090 None 0.268 0.968
document_648 421.2380 421.2380 None 0.265 0.976
document_60 401.2470 401.2470 None 0.259 0.942
document_1057 433.2750 433.2750 None 0.250 0.891
document_624 421.2330 421.2330 None 0.249 0.934
document_427 419.3710 419.3710 None 0.249 0.965
document_436 419.8610 419.8610 None 0.248 0.969
document_459 420.3370 420.3370 None 0.248 0.888
document_4904 727.3830 727.3830 None 0.246 0.862
document_1194 441.1730 441.1730 None 0.241 0.945
document_154 407.0110 407.0110 None 0.241 0.972
document_5278 757.3680 757.3680 None 0.241 0.965
document_47 401.2470 401.2470 None 0.241 0.944
document_49 401.2470 401.2470 None 0.238 0.863
document_2547 535.3080 535.3080 None 0.235 0.967
document_1279 443.3140 443.3140 None 0.235 0.968
document_506 419.2800 419.2800 None 0.232 0.889
document_846 430.0400 430.0400 None 0.227 0.968
document_2804 561.3970 561.3970 None 0.227 0.942
document_2510 531.3850 531.3850 None 0.223 0.889
document_917 430.9130 430.9130 None 0.221 0.967
document_2511 531.3840 531.3840 None 0.220 0.885
document_63 401.2660 401.2660 None 0.220 0.863
document_4902 727.3820 727.3820 None 0.220 0.867
document_505 419.2790 419.2790 None 0.212 0.889
document_48 401.2490 401.2490 None 0.212 0.894
document_525 421.2000 421.2000 None 0.211 0.969
document_71 401.2500 401.2500 None 0.211 0.942
document_4477 703.3540 703.3540 None 0.209 0.968
document_2805 561.3980 561.3980 None 0.208 0.863
document_2270 507.3030 507.3030 None 0.206 0.889
document_457 419.2880 419.2880 None 0.201 0.886
document_2782 559.4160 559.4160 None 0.201 0.981
document_1231 441.3510 441.3510 None 0.200 0.942
document_73 401.2700 401.2700 None 0.200 0.863
document_474 419.2750 419.2750 None 0.200 0.863
document_889 430.7120 430.7120 None 0.195 0.968
document_2803 561.3970 561.3970 None 0.195 0.942
document_4900 727.3810 727.3810 None 0.195 0.864
document_61 401.2480 401.2480 None 0.195 0.889
document_2182 501.3540 501.3540 None 0.194 0.889
document_2925 569.4390 569.4390 None 0.193 0.873
document_5286 757.3920 757.3920 None 0.191 0.862
document_460 419.8910 419.8910 None 0.190 0.889
document_68 401.2500 401.2500 None 0.190 0.863
document_4492 705.3870 705.3870 None 0.188 0.973
document_5280 757.3590 757.3590 None 0.188 0.856
document_662 421.2410 421.2410 None 0.185 0.961
document_435 419.0380 419.0380 None 0.185 0.886
document_4481 703.5700 703.5700 None 0.184 0.972
document_52 401.6740 401.6740 None 0.184 0.868
document_5281 757.2830 757.2830 None 0.182 0.889
document_893 430.8300 430.8300 None 0.180 0.893
document_5279 757.3230 757.3230 None 0.179 0.867
document_56 401.2470 401.2470 None 0.179 0.968
document_1256 443.2760 443.2760 None 0.178 0.968
document_55 401.2480 401.2480 None 0.177 0.864
document_972 430.9150 430.9150 None 0.174 0.882
document_5008 734.4070 734.4070 None 0.165 0.894
document_3489 629.3460 629.3460 None 0.165 0.948
document_1729 473.3440 473.3440 None 0.163 0.863
document_904 430.9100 430.9100 None 0.162 0.888
document_3418 619.4370 619.4370 None 0.161 0.864
document_2269 507.3050 507.3050 None 0.159 0.888
document_1746 475.3230 475.3230 Loperamide hydrochloride 0.157 0.889
document_545 421.2310 421.2310 None 0.156 0.888
document_1516 460.1830 460.1830 None 0.154 0.864
document_508 419.3150 419.3150 None 0.152 0.859
document_580 421.2320 421.2320 None 0.152 0.863
document_1963 491.2970 491.2970 None 0.151 0.890
document_1247 443.2020 443.2020 None 0.151 0.079
document_2605 541.2940 541.2940 None 0.150 0.889
document_4478 703.4980 703.4980 None 0.148 0.972
document_1009 430.9160 430.9160 None 0.146 0.863
document_4514 704.4660 704.4660 None 0.145 0.890
document_70 401.5570 401.5570 None 0.144 0.888
document_57 401.2470 401.2470 None 0.143 0.942
document_488 419.2760 419.2760 None 0.142 0.890
document_666 422.1820 422.1820 None 0.142 0.968
document_2868 566.8880 566.8880 None 0.140 0.863
document_241 412.0830 412.0830 None 0.140 0.863
document_1018 431.2500 431.2500 None 0.137 0.889
document_2054 497.3060 497.3060 None 0.136 0.861
document_472 419.2680 419.2680 None 0.133 0.888
document_4483 703.3800 703.3800 None 0.133 0.889
document_1422 455.2580 455.2580 None 0.132 0.863
document_510 419.3140 419.3140 None 0.130 0.887
document_484 419.2760 419.2760 None 0.130 0.862
document_550 421.2310 421.2310 None 0.128 0.889
document_5874 1041.5520 1041.5520 None 0.127 0.863
document_2512 531.3850 531.3850 None 0.126 0.883
document_511 419.3140 419.3140 None 0.126 0.887
document_1254 443.2210 443.2210 None 0.124 0.862
document_74 401.2530 401.2530 None 0.122 0.890
document_528 421.1640 421.1640 None 0.122 0.864
document_1594 463.3020 463.3020 None 0.121 0.864
document_161 405.2700 405.2700 None 0.121 0.864
document_3941 673.3700 673.3700 None 0.121 0.976
document_2388 519.2840 519.2840 None 0.119 0.888
document_2801 561.3940 561.3940 None 0.118 0.079
document_1423 455.2580 455.2580 None 0.116 0.890
document_618 421.2320 421.2320 None 0.116 0.864
document_668 422.1900 422.1900 None 0.116 0.967
document_5369 769.4280 769.4280 None 0.115 0.967
document_430 419.0270 419.0270 None 0.112 0.886
document_53 401.2480 401.2480 None 0.111 0.972
document_4970 732.4560 732.4560 None 0.111 0.081
document_483 419.2760 419.2760 None 0.111 0.885
document_3064 585.3210 585.3210 None 0.110 0.105
document_1235 441.3520 441.3520 None 0.110 0.868
document_1862 485.2700 485.2700 None 0.109 0.854
document_437 418.2650 418.2650 None 0.108 0.880
document_489 419.2770 419.2770 None 0.107 0.863
document_1219 443.1050 443.1050 None 0.106 0.888
document_2183 501.3530 501.3530 None 0.104 0.888
document_504 420.1530 420.1530 None 0.102 0.888
document_5235 748.0630 748.0630 None 0.101 0.863
document_1205 443.1440 443.1440 None 0.101 0.969
document_434 418.8080 418.8080 None 0.100 0.888
document_1816 481.2600 481.2600 None 0.100 0.888
document_1251 443.2210 443.2210 None 0.098 0.862
document_512 420.1640 420.1640 None 0.098 0.889
document_4289 691.3830 691.3830 None 0.098 0.885
document_595 421.2320 421.2320 None 0.096 0.863
document_4287 691.3800 691.3800 None 0.096 0.889
document_2513 531.3840 531.3840 None 0.096 0.875
document_2319 512.2590 512.2590 None 0.095 0.863
document_2184 501.3660 501.3660 None 0.095 0.889
document_667 422.1860 422.1860 None 0.095 0.972
document_3383 615.3300 615.3300 None 0.092 0.890
document_2624 543.3290 543.3290 None 0.092 0.884
document_19 401.6520 401.6520 None 0.091 0.868
document_3819 660.5030 660.5030 None 0.091 0.973
document_2016 496.1600 496.1600 None 0.091 0.863
document_2958 573.3220 573.3220 None 0.091 0.890
document_3417 619.4370 619.4370 None 0.089 0.889
document_1257 443.2220 443.2220 None 0.089 0.860
document_2470 527.3160 527.3160 None 0.088 0.941
document_64 401.2470 401.2470 None 0.088 0.871
document_3490 629.3460 629.3460 None 0.088 0.863
document_795 429.1790 429.1790 None 0.087 0.862
document_3708 643.5120 643.5120 None 0.087 0.952
document_988 430.9140 430.9140 None 0.087 0.864
document_1484 458.6940 458.6940 None 0.086 0.864
document_65 401.2470 401.2470 None 0.086 0.893
document_656 421.2360 421.2360 None 0.084 0.883
document_783 429.1790 429.1790 None 0.081 0.862
document_1717 473.2320 473.2320 None 0.081 0.863
document_3063 585.3200 585.3200 None 0.081 0.890
document_5344 766.5310 766.5310 None 0.081 0.864
document_2469 527.3160 527.3160 None 0.080 0.863
document_2770 557.3260 557.3260 None 0.080 0.862
document_1725 473.3440 473.3440 None 0.080 0.867
document_1419 455.2580 455.2580 None 0.080 0.862
document_803 429.2430 429.2430 None 0.079 0.885
document_1023 431.2940 431.2940 None 0.079 0.890
document_2257 506.5300 506.5300 None 0.079 0.863
document_1877 485.3760 485.3760 None 0.079 0.862
document_4457 703.3580 703.3580 None 0.078 0.972
document_1311 443.3470 443.3470 None 0.076 0.863
document_429 419.2110 419.2110 None 0.076 0.888
document_509 419.3140 419.3140 None 0.075 0.888
document_507 419.3140 419.3140 None 0.075 0.889
document_2901 567.2590 567.2590 None 0.074 0.863
document_482 419.2770 419.2770 None 0.074 0.889
document_993 430.9130 430.9130 None 0.073 0.863
document_1002 431.2180 431.2180 None 0.073 0.863
document_3775 651.3190 651.3190 None 0.072 0.942
document_1300 443.3320 443.3320 None 0.072 0.079
document_811 429.2420 429.2420 None 0.072 0.863
document_3720 645.2410 645.2410 None 0.071 0.889
document_1255 443.2220 443.2220 None 0.071 0.855
document_5351 766.5300 766.5300 None 0.070 0.890
document_450 419.0340 419.0340 None 0.070 0.885
document_77 401.2830 401.2830 None 0.070 0.863
document_4847 722.4570 722.4570 None 0.070 0.864
document_1512 459.3290 459.3290 None 0.070 0.894
document_5132 740.4820 740.4820 None 0.070 0.863
document_3845 661.3720 661.3720 None 0.069 0.972
document_4490 703.3830 703.3830 None 0.068 0.968
document_1880 485.3760 485.3760 None 0.066 0.941
document_51 401.2470 401.2470 None 0.065 0.889
document_4126 683.4370 683.4370 None 0.065 0.864
document_1513 459.3290 459.3290 None 0.065 0.859
document_3952 673.5220 673.5220 None 0.064 0.943
document_428 418.8240 418.8240 None 0.064 0.857
document_646 421.2370 421.2370 None 0.064 0.888
document_980 430.9130 430.9130 None 0.064 0.863
document_4899 727.3810 727.3810 None 0.063 0.079
document_4540 705.3990 705.3990 None 0.063 0.888
document_458 419.2410 419.2410 None 0.063 0.885
document_736 427.1930 427.1930 None 0.063 0.888
document_442 418.9680 418.9680 None 0.062 0.863
document_4541 705.3990 705.3990 None 0.062 0.888
document_5002 734.4230 734.4230 None 0.062 0.864
document_448 419.1520 419.1520 None 0.061 0.894
document_1709 473.2310 473.2310 None 0.061 0.887
document_10 401.2340 401.2340 None 0.060 0.942
document_455 418.3930 418.3930 None 0.060 0.863
document_3401 617.3460 617.3460 None 0.060 0.893
document_4355 696.1880 696.1880 None 0.059 0.863
document_454 418.3920 418.3920 None 0.058 0.864
document_3665 639.4070 639.4070 None 0.058 0.867
document_1249 443.2240 443.2240 None 0.057 0.969
document_2991 577.1650 577.1650 None 0.056 0.079
document_185 407.2230 407.2230 None 0.056 0.863
document_1420 455.2580 455.2580 None 0.056 0.869
document_4495 705.3940 705.3940 None 0.055 0.973
document_3949 673.3770 673.3770 None 0.055 0.890
document_3390 617.0920 617.0920 None 0.055 0.889
document_899 430.8490 430.8490 None 0.054 0.863
document_5851 987.5420 987.5420 None 0.054 0.893
document_5807 947.4480 947.4480 None 0.054 0.859
document_5027 735.4080 735.4080 None 0.053 0.969
document_1710 473.2320 473.2320 None 0.052 0.963
document_2371 517.4900 517.4900 None 0.052 0.863
document_152 405.6540 405.6540 None 0.051 0.863
document_2495 529.4080 529.4080 None 0.051 0.888
document_1855 485.2680 485.2680 None 0.051 0.884
document_1421 455.2570 455.2570 None 0.051 0.859
document_1182 440.2770 440.2770 None 0.051 0.864
document_1008 430.9150 430.9150 None 0.051 0.889
document_485 419.2760 419.2760 None 0.050 0.081

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.