document_1372 -- HMDB:HMDB00631-862 Deoxycholic acid glycine conjugate

Return to experiment crusemann
Resolver: mzspec:MS2LDA:TASK-551:accession:629518

Associated Mass2Motifs

The following table lists all Mass2Motifs that explain features extracted from this fragmentation spectra -- at the threshold specified in the experiment option.

Motif Probability Overlap Score Annotation
motif_219 0.238 0.251 None
motif_288 0.187 0.158 None
motif_240 0.081 0.104 None
motif_34 0.075 0.151 None
motif_74 0.073 0.123 Streptomyces dominated motif II - flavonoid related?!
motif_8 0.070 0.254 Staurosporine related Mass2Motif (combined fragments 130 and 88 + loss of 129)

Fragmentation Spectrum Plot

The fragmentation spectrum of this molecule is plotted below, alongside associated Mass2Motifs. Features (fragments and losses) explained by the associated Mass2Motif are coloured in red, while the parent ion is coloured in blue.

Features

The following table lists all features extracted from this fragmentation spectra -- alongside Mass2Motifs that explain these features at the threshold specified in the experiment option. The column MAGMa Substructure Annotation shows substructures annotations from MAGMa. Hovering over each MAGMa substructure shows the plots of 10 random documents containing the substructure.

Name Intensity Mass2Motif (prob) MAGMa Substructure Annotation
loss_36.0500 1000.0 motif_219 (0.999)
fragment_414.2500 1000.0 motif_288 (1.000)
fragment_339.2500 387.0 motif_240 (0.999)
loss_111.0500 387.0 motif_34 (1.000)
loss_129.0500 364.0 motif_8 (1.000)
fragment_321.2500 364.0 motif_74 (1.000)
fragment_211.1500 261.0 motif_145 (1.000)
fragment_76.0500 237.0 motif_219 (0.998)
fragment_215.1500 210.0 motif_155 (0.999)
fragment_135.1500 179.0 motif_153 (1.000)
fragment_93.0500 151.0 motif_153 (0.058)
motif_19 (0.940)
fragment_95.0500 136.0 motif_19 (0.014)
motif_55 (0.979)
fragment_133.1500 124.0 motif_109 (0.999)
fragment_158.0500 122.0 motif_278 (1.000)
fragment_199.1500 120.0 motif_277 (0.997)
fragment_229.1500 87.0 motif_72 (1.000)
loss_172.1500 36.0 motif_219 (0.838)
motif_74 (0.130)
motif_288 (0.018)
fragment_278.1500 36.0 motif_34 (0.281)
motif_39 (0.089)
motif_219 (0.623)
loss_128.0500 34.0 motif_8 (0.626)
motif_240 (0.373)
fragment_322.2500 34.0 motif_74 (0.860)
motif_278 (0.125)
fragment_216.1500 32.0 motif_155 (0.995)
loss_110.0500 26.0 motif_205 (0.994)
fragment_340.2500 26.0 motif_240 (0.984)
loss_153.1500 25.0 motif_288 (0.990)
fragment_297.2500 25.0 motif_34 (0.453)
motif_240 (0.534)
fragment_358.2500 22.0 motif_240 (0.324)
motif_39 (0.673)
loss_92.0500 22.0 motif_228 (0.997)
fragment_397.2500 15.0 motif_219 (0.011)
motif_92 (0.972)
loss_53.0500 15.0 motif_219 (1.000)