Mass2Motif: motif_97

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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 0.9917094157608228. 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_90.9500 0.986
fragment_91.9500 0.004
fragment_158.9500 0.002

Counts of Classyfire Substituent terms

Term name Count in motif Percentage in motif Percentage in experiment Absolute difference
Hydrocarbon derivative 487 100 100 0
Organooxygen compound 471 96.7 95.3 1.4
Organonitrogen compound 286 58.7 54.1 4.6
Organic nitrogen compound 272 55.9 55.6 0.2
Organopnictogen compound 253 52.0 45.2 6.7
Benzenoid 169 34.7 18.3 16.4
Carbonyl group 108 22.2 44.0 21.9
Aromatic heteropolycyclic compound 66 13.6 9.6 3.9
Azacycle 65 13.3 22.6 9.3
Heteroaromatic compound 47 9.7 5.8 3.9
Aliphatic acyclic compound 11 2.3 2.9 0.7
1-hydroxy-2-unsubstituted benzenoid 9 1.8 1.3 0.6
Organoheterocyclic compound 5 1.0 13.3 12.3
Oxacycle 5 1.0 7.9 6.9
Amine 5 1.0 4.4 3.3
Alcohol 2 0.4 14.7 14.2
Oxane 2 0.4 1.9 1.5
Secondary alcohol 2 0.4 7.7 7.3
O-glycosyl compound 2 0.4 1.2 0.8
Phenol 2 0.4 0.5 0.1
1-hydroxy-4-unsubstituted benzenoid 2 0.4 0.2 0.2
Polyol 1 0.2 1.6 1.4

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_952 430.9140 430.9140 None 0.507 0.992
document_908 430.9110 430.9110 None 0.506 0.992
document_978 430.9130 430.9130 None 0.493 0.988
document_989 430.9130 430.9130 None 0.488 0.988
document_988 430.9140 430.9140 None 0.481 0.988
document_998 430.9130 430.9130 None 0.481 0.988
document_945 430.9130 430.9130 None 0.478 0.988
document_993 430.9130 430.9130 None 0.478 0.988
document_955 430.9140 430.9140 None 0.476 0.988
document_987 430.9150 430.9150 None 0.476 0.992
document_857 430.0610 430.0610 None 0.474 0.992
document_848 430.2350 430.2350 None 0.472 0.988
document_910 430.9100 430.9100 None 0.469 0.992
document_983 430.9140 430.9140 None 0.466 0.988
document_946 430.9130 430.9130 None 0.464 0.992
document_995 430.9130 430.9130 None 0.457 0.992
document_841 429.3220 429.3220 None 0.455 0.988
document_1006 430.9160 430.9160 None 0.451 0.988
document_933 430.9120 430.9120 None 0.445 0.992
document_855 429.9500 429.9500 None 0.439 0.988
document_1003 430.9150 430.9150 None 0.431 0.992
document_997 430.9130 430.9130 None 0.430 0.992
document_859 430.7850 430.7850 None 0.429 0.988
document_858 430.0680 430.0680 None 0.428 0.991
document_1001 430.9150 430.9150 None 0.425 0.992
document_925 430.9110 430.9110 None 0.425 0.988
document_905 430.9100 430.9100 None 0.425 0.988
document_928 430.9120 430.9120 None 0.422 0.988
document_853 430.7830 430.7830 None 0.420 0.992
document_856 430.2640 430.2640 None 0.416 0.991
document_850 430.5380 430.5380 None 0.415 0.988
document_843 430.8730 430.8730 None 0.411 0.992
document_935 430.9120 430.9120 None 0.409 0.988
document_1010 430.9160 430.9160 None 0.409 0.988
document_959 430.9140 430.9140 None 0.408 0.988
document_915 430.9110 430.9110 None 0.406 0.988
document_1004 430.9150 430.9150 None 0.405 0.992
document_984 430.9150 430.9150 None 0.404 0.988
document_964 430.9130 430.9130 None 0.403 0.988
document_999 430.9130 430.9130 None 0.402 0.991
document_937 430.9130 430.9130 None 0.400 0.988
document_852 430.7830 430.7830 None 0.400 0.992
document_939 430.9120 430.9120 None 0.398 0.988
document_926 430.9110 430.9110 None 0.395 0.988
document_936 430.9130 430.9130 None 0.395 0.988
document_861 430.7750 430.7750 None 0.395 0.992
document_962 430.9130 430.9130 None 0.394 0.988
document_953 430.9130 430.9130 None 0.391 0.988
document_979 430.9130 430.9130 None 0.385 0.990
document_2432 524.2180 524.2180 None 0.381 0.992
document_994 430.9130 430.9130 None 0.381 0.988
document_990 430.9150 430.9150 None 0.381 0.988
document_965 430.9140 430.9140 None 0.378 0.992
document_943 430.9130 430.9130 None 0.377 0.992
document_1000 430.9140 430.9140 None 0.376 0.990
document_851 430.4580 430.4580 None 0.370 0.992
document_971 430.9130 430.9130 None 0.369 0.992
document_934 430.9120 430.9120 None 0.368 0.988
document_969 430.9130 430.9130 None 0.368 0.988
document_912 430.9120 430.9120 None 0.367 0.988
document_976 430.9140 430.9140 None 0.364 0.984
document_920 430.9120 430.9120 None 0.364 0.992
document_916 430.9080 430.9080 None 0.363 0.988
document_956 430.9140 430.9140 None 0.363 0.988
document_918 430.9080 430.9080 None 0.363 0.985
document_948 430.9120 430.9120 None 0.363 0.988
document_996 430.9150 430.9150 None 0.360 0.988
document_991 430.9130 430.9130 None 0.360 0.988
document_927 430.9100 430.9100 None 0.357 0.988
document_921 430.9080 430.9080 None 0.355 0.992
document_860 430.6730 430.6730 None 0.354 0.988
document_1005 430.9150 430.9150 None 0.354 0.992
document_977 430.9130 430.9130 None 0.354 0.992
document_919 430.9130 430.9130 None 0.353 0.991
document_922 430.9120 430.9120 None 0.352 0.988
document_909 430.9080 430.9080 None 0.349 0.992
document_973 430.9130 430.9130 None 0.348 0.992
document_923 430.9090 430.9090 None 0.347 0.992
document_941 430.9130 430.9130 None 0.345 0.992
document_2140 498.9010 498.9010 None 0.345 0.988
document_958 430.9130 430.9130 None 0.344 0.988
document_980 430.9130 430.9130 None 0.341 0.988
document_950 430.9130 430.9130 None 0.340 0.992
document_957 430.9130 430.9130 None 0.336 0.992
document_1008 430.9150 430.9150 None 0.335 0.988
document_2106 498.8980 498.8980 None 0.333 0.988
document_924 430.9100 430.9100 None 0.333 0.987
document_1007 430.9160 430.9160 None 0.331 0.988
document_938 430.9130 430.9130 None 0.330 0.992
document_963 430.9130 430.9130 None 0.329 0.992
document_1588 463.3010 463.3010 None 0.325 0.983
document_982 430.9130 430.9130 None 0.321 0.988
document_4403 702.6810 702.6810 None 0.318 0.988
document_906 430.9210 430.9210 None 0.315 0.988
document_970 430.9130 430.9130 None 0.314 0.992
document_894 430.7560 430.7560 None 0.314 0.988
document_992 430.9140 430.9140 None 0.312 0.988
document_975 430.9130 430.9130 None 0.312 0.988
document_2105 498.8990 498.8990 None 0.312 0.988
document_769 430.7840 430.7840 None 0.310 0.991
document_2822 563.4650 563.4650 None 0.310 0.988
document_1011 430.9250 430.9250 None 0.308 0.988
document_968 430.9140 430.9140 None 0.305 0.988
document_1012 430.9260 430.9260 None 0.303 0.988
document_940 430.9120 430.9120 None 0.302 0.988
document_932 430.9110 430.9110 None 0.301 0.988
document_947 430.9120 430.9120 None 0.300 0.987
document_914 430.9110 430.9110 None 0.297 0.992
document_2137 498.9010 498.9010 None 0.292 0.988
document_2057 498.5070 498.5070 None 0.291 0.988
document_438 418.7540 418.7540 None 0.290 0.985
document_929 430.9120 430.9120 None 0.289 0.988
document_754 428.4450 428.4450 None 0.289 0.988
document_913 430.9100 430.9100 None 0.289 0.988
document_854 430.3710 430.3710 None 0.288 0.988
document_867 430.8850 430.8850 None 0.286 0.988
document_986 430.9130 430.9130 None 0.281 0.988
document_898 430.8880 430.8880 None 0.271 0.992
document_746 427.3390 427.3390 None 0.269 0.988
document_846 430.0400 430.0400 None 0.266 0.988
document_1149 437.2420 437.2420 None 0.266 0.986
document_2107 498.8990 498.8990 None 0.263 0.988
document_2153 498.9130 498.9130 None 0.261 0.988
document_907 430.9080 430.9080 None 0.259 0.988
document_2124 498.9000 498.9000 None 0.257 0.988
document_966 430.9130 430.9130 None 0.255 0.988
document_742 428.8320 428.8320 None 0.253 0.988
document_967 430.9130 430.9130 None 0.252 0.988
document_1582 463.3010 463.3010 None 0.251 0.987
document_2119 498.9000 498.9000 None 0.250 0.992
document_1009 430.9160 430.9160 None 0.249 0.988
document_951 430.9130 430.9130 None 0.249 0.988
document_931 430.9120 430.9120 None 0.245 0.988
document_2148 498.9020 498.9020 None 0.244 0.988
document_2139 498.9000 498.9000 None 0.243 0.992
document_2113 498.8990 498.8990 None 0.241 0.988
document_930 430.9120 430.9120 None 0.240 0.988
document_1589 463.3010 463.3010 None 0.239 0.986
document_3456 625.3920 625.3920 None 0.238 0.986
document_911 430.9100 430.9100 None 0.237 0.988
document_2135 498.9010 498.9010 None 0.235 0.988
document_3546 634.4520 634.4520 None 0.234 0.988
document_2121 498.9020 498.9020 None 0.232 0.988
document_2514 531.3860 531.3860 None 0.231 0.986
document_2028 498.5910 498.5910 None 0.231 0.988
document_2409 522.2030 522.2030 None 0.229 0.992
document_961 430.9130 430.9130 None 0.229 0.988
document_942 430.9130 430.9130 None 0.227 0.988
document_2112 498.9010 498.9010 None 0.224 0.988
document_2473 527.3170 527.3170 None 0.219 0.981
document_2143 498.9010 498.9010 None 0.218 0.992
document_487 420.0190 420.0190 None 0.217 0.985
document_752 428.4430 428.4430 None 0.216 0.988
document_1586 463.3010 463.3010 None 0.214 0.988
document_602 421.2320 421.2320 None 0.213 0.985
document_2024 498.8440 498.8440 None 0.210 0.988
document_2131 498.9000 498.9000 None 0.210 0.988
document_486 419.2780 419.2780 None 0.209 0.986
document_2132 498.9010 498.9010 None 0.209 0.988
document_2116 498.9010 498.9010 None 0.208 0.988
document_899 430.8490 430.8490 None 0.208 0.992
document_2021 497.4200 497.4200 None 0.207 0.988
document_2102 498.8980 498.8980 None 0.205 0.992
document_2133 498.9010 498.9010 None 0.204 0.988
document_2118 498.9010 498.9010 None 0.204 0.988
document_473 419.3710 419.3710 None 0.201 0.988
document_2096 498.9010 498.9010 None 0.201 0.988
document_2099 498.9010 498.9010 None 0.201 0.992
document_491 419.2770 419.2770 None 0.201 0.988
document_2146 498.9020 498.9020 None 0.200 0.988
document_753 428.4460 428.4460 None 0.200 0.986
document_2147 498.9010 498.9010 None 0.198 0.988
document_2098 498.9010 498.9010 None 0.198 0.988
document_2100 498.8990 498.8990 None 0.197 0.988
document_1995 497.0970 497.0970 None 0.197 0.988
document_2025 498.4590 498.4590 None 0.196 0.988
document_2122 498.9000 498.9000 None 0.195 0.988
document_474 419.2750 419.2750 None 0.194 0.984
document_2110 498.8990 498.8990 None 0.194 0.988
document_2108 498.9000 498.9000 None 0.194 0.988
document_2134 498.9010 498.9010 None 0.194 0.988
document_2127 498.9000 498.9000 None 0.192 0.988
document_1360 449.2810 449.2810 None 0.192 0.986
document_2115 498.9000 498.9000 None 0.191 0.988
document_2117 498.9000 498.9000 None 0.190 0.988
document_521 420.6840 420.6840 None 0.190 0.987
document_1447 457.0300 457.0300 None 0.190 0.986
document_2129 498.9020 498.9020 None 0.188 0.988
document_2103 498.9010 498.9010 None 0.188 0.988
document_1137 437.2390 437.2390 None 0.188 0.986
document_1343 447.8060 447.8060 None 0.187 0.986
document_2126 498.9010 498.9010 None 0.187 0.988
document_1581 463.3000 463.3000 None 0.186 0.988
document_5413 771.4860 771.4860 None 0.186 0.988
document_542 421.2300 421.2300 None 0.186 0.983
document_2090 498.8970 498.8970 None 0.185 0.992
document_86 401.6480 401.6480 None 0.184 0.988
document_2093 498.9000 498.9000 None 0.184 0.988
document_874 430.6510 430.6510 None 0.184 0.991
document_2050 497.3050 497.3050 None 0.183 0.988
document_2053 498.1880 498.1880 None 0.183 0.988
document_2048 498.8640 498.8640 None 0.183 0.988
document_817 429.2430 429.2430 None 0.182 0.988
document_4910 727.4590 727.4590 None 0.181 0.986
document_981 430.9130 430.9130 None 0.181 0.988
document_2029 497.2390 497.2390 None 0.181 0.988
document_2088 498.9080 498.9080 None 0.179 0.988
document_2091 498.9010 498.9010 None 0.179 0.988
document_440 419.7450 419.7450 None 0.179 0.978
document_2083 498.7070 498.7070 None 0.179 0.988
document_2109 498.9010 498.9010 None 0.175 0.987
document_78 401.6370 401.6370 None 0.175 0.988
document_443 419.4060 419.4060 None 0.174 0.988
document_83 401.2860 401.2860 None 0.174 0.988
document_1214 441.2650 441.2650 None 0.174 0.988
document_2125 498.9010 498.9010 None 0.173 0.992
document_2089 498.9010 498.9010 None 0.172 0.988
document_2094 498.9000 498.9000 None 0.170 0.988
document_2152 498.9040 498.9040 None 0.169 0.988
document_2270 507.3030 507.3030 None 0.169 0.985
document_2141 498.9010 498.9010 None 0.169 0.992
document_4532 704.5220 704.5220 None 0.168 0.986
document_2086 498.8970 498.8970 None 0.168 0.988
document_2860 566.8880 566.8880 None 0.168 0.988
document_2151 498.9040 498.9040 None 0.167 0.988
document_2138 498.9030 498.9030 None 0.166 0.988
document_2012 496.6510 496.6510 None 0.164 0.988
document_2120 498.9010 498.9010 None 0.164 0.988
document_2068 498.7960 498.7960 None 0.163 0.983
document_2101 498.9020 498.9020 None 0.163 0.992
document_586 421.2320 421.2320 None 0.163 0.988
document_490 419.2760 419.2760 None 0.162 0.985
document_88 401.2860 401.2860 None 0.162 0.988
document_4274 691.4420 691.4420 None 0.162 0.988
document_787 429.1790 429.1790 None 0.161 0.988
document_738 427.2040 427.2040 None 0.161 0.988
document_2114 498.8990 498.8990 None 0.159 0.988
document_1590 463.3020 463.3020 None 0.159 0.986
document_489 419.2770 419.2770 None 0.159 0.985
document_2130 498.9010 498.9010 None 0.158 0.992
document_5620 838.8360 838.8360 MS_Contaminant_Sodium_Formate_Cluster 0.158 0.986
document_847 429.3180 429.3180 None 0.157 0.988
document_162 405.2930 405.2930 None 0.156 0.986
document_1133 437.2300 437.2300 None 0.156 0.988
document_192 408.0990 408.0990 None 0.156 0.986
document_502 420.3750 420.3750 None 0.155 0.975
document_2128 498.9000 498.9000 None 0.155 0.992
document_1587 463.3020 463.3020 None 0.154 0.988
document_1627 466.5340 466.5340 None 0.154 0.986
document_972 430.9150 430.9150 None 0.153 0.988
document_1161 439.2640 439.2640 None 0.152 0.984
document_2022 497.3880 497.3880 None 0.152 0.988
document_448 419.1520 419.1520 None 0.151 0.988
document_904 430.9100 430.9100 None 0.151 0.988
document_447 419.8130 419.8130 None 0.151 0.988
document_475 419.2750 419.2750 None 0.151 0.987
document_2136 498.9030 498.9030 None 0.148 0.988
document_2092 498.8960 498.8960 None 0.146 0.992
document_3342 613.2470 613.2470 None 0.146 0.986
document_5287 757.4700 757.4700 None 0.146 0.985
document_2727 555.1430 555.1430 None 0.146 0.986
document_2144 498.9010 498.9010 None 0.144 0.988
document_766 429.3500 429.3500 None 0.144 0.991
document_2047 497.3050 497.3050 None 0.143 0.988
document_2049 497.3050 497.3050 None 0.142 0.988
document_617 421.2330 421.2330 None 0.142 0.982
document_68 401.2500 401.2500 None 0.141 0.986
document_517 420.2340 420.2340 None 0.141 0.987
document_460 419.8910 419.8910 None 0.141 0.988
document_2104 498.8990 498.8990 None 0.141 0.988
document_2111 498.9020 498.9020 None 0.141 0.988
document_2087 498.9000 498.9000 None 0.140 0.988
document_900 430.6050 430.6050 None 0.140 0.988
document_2149 498.9940 498.9940 None 0.139 0.992
document_1308 444.0050 444.0050 None 0.138 0.986
document_765 429.1780 429.1780 None 0.138 0.988
document_485 419.2760 419.2760 None 0.137 0.984
document_1592 463.3020 463.3020 None 0.136 0.988
document_439 419.0200 419.0200 None 0.136 0.987
document_2123 498.9020 498.9020 None 0.135 0.988
document_497 419.7530 419.7530 None 0.135 0.981
document_5383 770.8490 770.8490 None 0.134 0.986
document_1584 463.3010 463.3010 None 0.133 0.988
document_3186 595.3810 595.3810 None 0.131 0.986
document_2059 498.3370 498.3370 None 0.131 0.988
document_1985 493.3110 493.3110 None 0.131 0.987
document_780 429.1790 429.1790 None 0.130 0.985
document_1311 443.3470 443.3470 None 0.130 0.986
document_1260 443.2240 443.2240 None 0.128 0.988
document_2145 498.9020 498.9020 None 0.128 0.988
document_832 429.2640 429.2640 None 0.128 0.987
document_1570 463.2800 463.2800 None 0.128 0.981
document_4886 726.5030 726.5030 None 0.127 0.986
document_52 401.6740 401.6740 None 0.127 0.986
document_2374 517.5240 517.5240 None 0.126 0.986
document_985 430.9130 430.9130 None 0.126 0.988
document_631 421.2360 421.2360 None 0.125 0.982
document_5411 771.3750 771.3750 None 0.123 0.986
document_1867 485.2910 485.2910 None 0.123 0.986
document_1938 489.6890 489.6890 None 0.123 0.985
document_481 419.2770 419.2770 None 0.123 0.988
document_478 419.2760 419.2760 None 0.122 0.981
document_2058 498.1690 498.1690 None 0.121 0.988
document_637 421.2340 421.2340 None 0.121 0.973
document_1583 463.3010 463.3010 None 0.120 0.988
document_2271 507.3040 507.3040 None 0.119 0.986
document_482 419.2770 419.2770 None 0.118 0.988
document_5373 770.8440 770.8440 None 0.118 0.982
document_647 421.2340 421.2340 None 0.117 0.982
document_2035 497.1660 497.1660 None 0.117 0.988
document_2820 563.3870 563.3870 None 0.117 0.988
document_741 429.3010 429.3010 None 0.116 0.987
document_18 400.7330 400.7330 None 0.116 0.986
document_449 419.3770 419.3770 None 0.116 0.987
document_492 419.2770 419.2770 None 0.115 0.987
document_1566 463.2770 463.2770 None 0.115 0.974
document_592 421.2320 421.2320 None 0.114 0.975
document_756 429.1750 429.1750 None 0.113 0.988
document_444 418.8370 418.8370 None 0.112 0.988
document_557 421.2310 421.2310 None 0.112 0.979
document_1212 441.2650 441.2650 None 0.112 0.986
document_50 401.3270 401.3270 None 0.112 0.988
document_2095 498.8990 498.8990 None 0.111 0.988
document_1358 449.2680 449.2680 None 0.111 0.989
document_837 429.3010 429.3010 None 0.111 0.988
document_578 421.2320 421.2320 None 0.109 0.987
document_1148 437.2410 437.2410 None 0.109 0.985
document_2346 513.3740 513.3740 None 0.107 0.985
document_1913 487.3580 487.3580 None 0.107 0.986
document_1594 463.3020 463.3020 None 0.106 0.988
document_2864 566.8870 566.8870 None 0.106 0.988
document_2097 498.9010 498.9010 None 0.105 0.988
document_5377 770.8460 770.8460 None 0.104 0.985
document_2061 497.3800 497.3800 None 0.104 0.988
document_603 421.2330 421.2330 None 0.102 0.987
document_2863 566.8890 566.8890 None 0.102 0.987
document_2888 566.8880 566.8880 None 0.101 0.988
document_581 421.2320 421.2320 None 0.101 0.987
document_757 429.0600 429.0600 None 0.101 0.988
document_630 421.2330 421.2330 None 0.101 0.980
document_4433 702.8620 702.8620 None 0.100 0.985
document_442 418.9680 418.9680 None 0.099 0.985
document_484 419.2760 419.2760 None 0.099 0.984
document_2071 498.2660 498.2660 None 0.099 0.988
document_2416 522.7700 522.7700 None 0.098 0.987
document_2854 566.8850 566.8850 None 0.097 0.988
document_2857 566.8890 566.8890 None 0.097 0.985
document_628 421.2370 421.2370 None 0.097 0.983
document_479 419.2760 419.2760 None 0.096 0.988
document_767 429.1790 429.1790 None 0.096 0.988
document_733 427.2450 427.2450 None 0.096 0.985
document_5621 838.8370 838.8370 MS_Contaminant_Sodium_Formate_Cluster 0.096 0.979
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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.