Mass2Motif: motif_23

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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: [Pentose (C5-sugar)-H2O] related loss – indicative for conjugated pentose sugar - EF fits

Short Annotation: [Pentose (C5-sugar)-H2O] related loss – indicative for conjugated pentose sugar - EF fits

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 1.0. 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
loss_132.0425 1.000
  • OCC1OCC(O)C1O (23)
  • OC1COCC(O)C1O (5)

Counts of Classyfire Substituent terms

Term name Count in motif Percentage in motif Percentage in experiment Absolute difference
Hydrocarbon derivative 25 89.3 83.8 5.5
Organoheterocyclic compound 25 89.3 37.2 52.1
Organooxygen compound 25 89.3 68.7 20.6
Glycosyl compound 25 89.3 9.8 79.5
Heteroaromatic compound 25 89.3 40.3 48.9
Alcohol 25 89.3 21.0 68.3
Oxacycle 25 89.3 30.3 59.0
Monosaccharide 25 89.3 7.9 81.4
Organic oxygen compound 25 89.3 71.2 18.0
Secondary alcohol 25 89.3 16.9 72.4
Aromatic heteropolycyclic compound 23 82.1 38.3 43.9
Organic nitrogen compound 20 71.4 55.2 16.2
Organonitrogen compound 20 71.4 54.9 16.5
N-glycosyl compound 20 71.4 2.2 69.3
Azacycle 20 71.4 36.1 35.4
Primary alcohol 20 71.4 9.9 61.5
Pentose monosaccharide 19 67.9 1.6 66.2
Azole 19 67.9 9.0 58.9
Organopnictogen compound 18 64.3 53.3 11.0
N-substituted imidazole 18 64.3 3.1 61.1
Imidazole 18 64.3 5.4 58.8
Pyrimidine 17 60.7 5.6 55.1
Oxolane 17 60.7 2.5 58.2
Imidazopyrimidine 16 57.1 1.9 55.3
Purine 16 57.1 1.9 55.2
Purine nucleoside 16 57.1 1.0 56.1
Aminopyrimidine 15 53.6 3.5 50.1
Imidolactam 15 53.6 3.8 49.7
6-aminopurine 14 50 1.5 48.5
6-alkylaminopurine 13 46.4 1.9 44.5
Secondary aliphatic/aromatic amine 11 39.3 3.5 35.8
Benzenoid 7 25 43.1 18.1
Organic oxide 6 21.4 59.3 37.9
Acetal 6 21.4 9.9 11.5
Oxane 6 21.4 9.2 12.2
O-glycosyl compound 6 21.4 7.6 13.8
Polyol 6 21.4 10.5 11.0
1-benzopyran 5 17.9 16.7 1.1
1-hydroxy-2-unsubstituted benzenoid 5 17.9 16.6 1.3
Flavonoid-3-o-glycoside 5 17.9 3.5 14.3
Benzopyran 5 17.9 16.7 1.1
7-hydroxyflavonoid 5 17.9 6.8 11.0
Phenol 5 17.9 12.5 5.3
1-hydroxy-4-unsubstituted benzenoid 5 17.9 11.7 6.1
Monocyclic benzene moiety 5 17.9 28.5 10.6
5-hydroxyflavonoid 5 17.9 8.2 9.6
Hydroxyflavonoid 5 17.9 9.9 8.0
4'-hydroxyflavonoid 5 17.9 7.2 10.6
Amine 4 14.3 27.0 12.7
Vinylogous acid 4 14.3 9.7 4.6
Chromone 4 14.3 11.7 2.6
Pyran 4 14.3 14.1 0.2
Flavone 4 14.3 6.6 7.7
Pyranone 4 14.3 13.6 0.7
Tetrahydrofuran 3 10.7 1.2 9.5
Furan 3 10.7 1.9 8.8
3'-hydroxyflavonoid 3 10.7 3.9 6.8
Primary aromatic amine 2 7.1 4.4 2.8
Primary amine 2 7.1 11.4 4.3
Aromatic heteromonocyclic compound 2 7.1 14.8 7.7
Aryl halide 2 7.1 11.1 3.9
1-ribofuranosylbenzimidazole 2 7.1 0.1 7.0
Aryl chloride 2 7.1 8.6 1.4
Benzimidazole 2 7.1 0.9 6.3
Organohalogen compound 2 7.1 13.8 6.7
Organochloride 2 7.1 9.8 2.7
Catechol 2 7.1 3.3 3.8
Dialkylarylamine 2 7.1 2.9 4.2
Imidazole-2-thione 1 3.6 0.0 3.5
Purinethione 1 3.6 0.1 3.5
Thiourea 1 3.6 0.1 3.5
Organosulfur compound 1 3.6 7.2 3.6
Pyrimidone 1 3.6 1.8 1.8
Hydropyrimidine 1 3.6 0.8 2.7
Pyrimidine nucleoside 1 3.6 0.1 3.5
Benzenetriol 1 3.6 0.8 2.7
Pyrogallol derivative 1 3.6 0.6 3.0
Fatty acyl glycoside 1 3.6 0.7 2.9
Fatty acyl 1 3.6 4.8 1.3
Fatty acyl glycoside of mono- or disaccharide 1 3.6 0.8 2.8
Alkyl glycoside 1 3.6 0.8 2.8
3p-methoxyflavonoid-skeleton 1 3.6 2.1 1.5
Phenoxy compound 1 3.6 11.7 8.2
Organic cation 1 3.6 2.0 1.6
Methoxyphenol 1 3.6 2.6 0.9
Anisole 1 3.6 14.8 11.2
Anthocyanidin 1 3.6 0.9 2.7
Phenol ether 1 3.6 10.6 7.1
Alkyl aryl ether 1 3.6 21.6 18.0
Ether 1 3.6 25.6 22.0
Methoxybenzene 1 3.6 7.5 3.9
2-heteroaryl carboxamide 1 3.6 0.6 3.0
Carboxylic acid derivative 1 3.6 21.8 18.2
Carboxamide group 1 3.6 9.6 6.0
Triazole 1 3.6 0.7 2.9
Primary carboxylic acid amide 1 3.6 1.1 2.5
1,2,4-triazole 1 3.6 1.1 2.4
N-ribosyl-1,2,4-triazole 1 3.6 0.0 3.5

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
washington_0841.ms 308.1354 308.1354 washington_0841 0.466 1.000
washington_0840.ms 300.0761 300.0761 washington_0840 0.460 1.000
washington_1085.ms 258.1085 258.1085 washington_1085 0.457 1.000
washington_0863.ms 319.0247 319.0247 washington_0863 0.448 1.000
eawag_0608.ms 268.1040 268.1040 eawag_0608 0.436 1.000
riken_1215.ms 419.0978 419.0978 riken_1215 0.429 1.000
washington_0334.ms 348.1303 348.1303 washington_0334 0.425 1.000
riken_0476.ms 269.0886 269.0886 riken_0476 0.418 1.000
ipb_0126.ms 268.1040 268.1040 ipb_0126 0.417 1.000
riken_1224.ms 435.0927 435.0927 riken_1224 0.410 1.000
riken_0729.ms 435.0927 435.0927 riken_0729 0.404 1.000
riken_1222.ms 451.0876 451.0876 riken_1222 0.390 1.000
mpi_0055.ms 352.1616 352.1616 mpi_0055 0.374 1.000
mpi_0043.ms 514.2144 514.2144 mpi_0043 0.355 1.000
washington_0890.ms 319.0247 319.0247 washington_0890 0.352 1.000
washington_0838.ms 324.1667 324.1667 washington_0838 0.351 1.000
washington_0327.ms 348.1303 348.1303 washington_0327 0.348 1.000
mpi_0097.ms 336.1660 336.1660 mpi_0097 0.336 1.000
riken_0735.ms 433.1134 433.1134 riken_0735 0.334 1.000
eawag_0339.ms 245.0880 245.0880 eawag_0339 0.269 1.000
washington_0592.ms 352.1616 352.1616 washington_0592 0.261 1.000
metabolights_0016.ms 352.1615 352.1615 metabolights_0016 0.242 1.000
washington_0845.ms 308.1354 308.1354 washington_0845 0.232 1.000
washington_0743.ms 253.0932 253.0932 washington_0743 0.177 1.000
washington_0846.ms 324.1667 324.1667 washington_0846 0.171 1.000
washington_0732.ms 253.0932 253.0932 washington_0732 0.155 1.000
washington_0339.ms 348.1303 348.1303 washington_0339 0.055 1.000
mpi_0085.ms 352.1616 352.1616 mpi_0085 0.051 1.000

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.