Mass2Motif: motif_48

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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: Fragment ion indicative for conjugation of a phosphate group (H4O4P)

Short Annotation: Fragment ion indicative for conjugation of a phosphate group (H4O4P)

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
fragment_98.9825 1.000
  • O=P(O)(O)O (8)

Counts of Classyfire Substituent terms

Term name Count in motif Percentage in motif Percentage in experiment Absolute difference
Hydrocarbon derivative 9 90 78.1 11.9
Aliphatic acyclic compound 9 90 1.9 88.1
Organic oxide 7 70 62.0 8.0
Organic oxygen compound 7 70 69.8 0.2
Organooxygen compound 7 70 68.4 1.6
Trialkyl phosphate 6 60 0.1 59.9
Alkyl halide 3 30 3.3 26.7
Organohalogen compound 3 30 14.1 15.9
Alkyl chloride 3 30 1.2 28.8
Organochloride 3 30 8.7 21.3
Sugar alcohol 2 20 0.1 19.9
Secondary alcohol 2 20 14.3 5.7
Polyol 2 20 4.9 15.1
Alcohol 2 20 18.9 1.1
Monosaccharide 2 20 2.8 17.2
Primary alcohol 2 20 5.5 14.5
Dialkyl phosphate 1 10 0.5 9.5
Dialkyl ether 1 10 7.7 2.3
Ether 1 10 30.9 20.9

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 spectraPrecursor MassParent massAnnotationProbabilityOverlap Score
CCMSLIB00000579925.ms 323.2346 323.2346 0827_Bis(2-ethylhexyl)phosphate M+H 0.824 1.000
CCMSLIB00000579857.ms 327.0081 327.0081 0327_Tris(1-chloro-2-propyl)phosphate M+H 0.600 1.000
CCMSLIB00000579844.ms 428.8912 428.8912 "Tris(1,3-dichlorisopropyl)phosphate (TDCPP)" M+H 0.559 1.000
CCMSLIB00000579854.ms 267.1720 267.1720 Tri-isobutyl phosphate M+H 0.500 1.000
CCMSLIB00000579622.ms 183.0781 183.0781 0821_triethylphosphate M+H 0.327 1.000
CCMSLIB00000579847.ms 358.9768 358.9768 Chlorfenvinphos M+H 0.246 1.000
CCMSLIB00000579657.ms 284.9612 284.9612 Tris(2-chloroethyl)phosphate M+H 0.131 1.000
CCMSLIB00000081809.ms 183.0863 183.0863 sorbitol M+H 0.103 1.000
CCMSLIB00000081805.ms 183.0863 183.0863 mannitol M+H 0.074 1.000
CCMSLIB00000579912.ms 399.2506 399.2506 0321_Tri(butoxyethyl)phosphate M+H 0.053 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.

Result goes here: