LDB_403_"1alpa,3beta-diacetoxy-22-hopanol" -- LDB_403_"1alpa,3beta-diacetoxy-22-hopanol"

Return to experiment 200421_LDB_POS_04
Resolver: mzspec:MS2LDA:TASK-1281:accession:1706483

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_6 0.518 0.413 16 spectra, 15 molecules, 7 classes: 33.3% Depsidones, 20.0% Depsides (Didepsides), 13.3% Terpenoids : Triterpenes, 13.3% Cleavage Products of Depsides and Depsidones, 6.7% Aliphatic and Cycloaliphatic Compounds, 6.7% Paraconic acids, 6.7% Xanthones and bi
motif_31 0.431 0.077 32 spectra, 27 molecules, 9 classes: 29.6% Paraconic acids, 22.2% Pulvinic Acid Derivatives, 18.5% Depsidones, 7.4% Terpenoids : Triterpenes, 7.4% Quinones, 3.7% Dibenzofuranes, 3.7% N-Containing Compounds, 3.7% Aliphatic and Cycloaliphatic Compounds, 3.7%
motif_88 0.051 0.474 36 spectra, 23 molecules, 6 classes: 56.5% Terpenoids : Triterpenes, 21.7% Paraconic acids, 8.7% Terpenoids : Diterpenes, 4.3% Acids, 4.3% Xanthones and bis-Xanthones, 4.3% Depsides (Didepsides)

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.

Molecule Plot

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_41.0250 1000.0 motif_6 (1.000)
fragment_567.4050 1000.0 motif_31 (1.000)
fragment_83.0150 141.0 motif_31 (0.137)
motif_6 (0.863)
fragment_203.1850 54.0 motif_31 (0.071)
motif_6 (0.928)
  • CC(C)C1CCC2(C)C(C)C(C)CCC12
loss_101.0450 41.0 motif_31 (0.985)
motif_6 (0.015)
fragment_507.3850 41.0 motif_31 (0.723)
motif_6 (0.277)
fragment_91.9650 37.0 motif_31 (0.258)
motif_6 (0.742)
fragment_217.1950 33.0 motif_88 (0.988)
motif_6 (0.010)
  • CCC1C(C)CCC2C(CCC12C)C(C)C
loss_161.0650 31.0 motif_6 (0.996)
fragment_447.3550 31.0 motif_6 (0.996)
fragment_95.0850 25.0 motif_88 (0.924)
motif_31 (0.076)
  • CC1CCCC1C
fragment_109.1050 22.0 motif_88 (0.991)
  • CCC1CCCC1C
fragment_133.1050 21.0 motif_88 (0.984)
motif_6 (0.013)
  • CCC1CCCC1C(C)C
fragment_147.1150 21.0 motif_88 (0.819)
motif_31 (0.179)
  • CC1CCC2CCCC2(C)C1
fragment_149.1350 20.0 motif_88 (0.951)
motif_31 (0.047)
  • CCC1C(C)CCC1C(C)C
fragment_161.1350 19.0 motif_31 (0.807)
motif_6 (0.191)
  • CC1CCC2CCCC2(C)C1C
fragment_407.3650 9.0 motif_31 (0.012)
motif_6 (0.987)
  • CC(C)C1CCC2(C)C1CCC1(C)C2CCC2C3(C)CCCC(C)(C)C3CCC21C
fragment_636.4950 7.0 motif_31 (0.015)
motif_6 (0.985)
fragment_367.3350 6.0 motif_31 (0.017)
motif_6 (0.981)
fragment_294.4550 6.0 motif_31 (0.017)
motif_6 (0.982)
fragment_335.2250 5.0 motif_31 (0.021)
motif_6 (0.979)
  • CCC1C(C)CCC2C(C)(C)C(CC(OC(C)=O)C12C)OC(C)=O
loss_173.5250 4.0 motif_31 (0.025)
motif_6 (0.974)
fragment_368.5650 4.0 motif_31 (0.025)
motif_6 (0.974)
fragment_255.8550 4.0 motif_31 (0.025)
motif_6 (0.974)
loss_102.9950 4.0 motif_31 (0.025)
motif_6 (0.974)
loss_54.3950 4.0 motif_31 (0.025)
motif_6 (0.974)
fragment_385.4650 4.0 motif_31 (0.025)
motif_6 (0.974)
fragment_475.8150 4.0 motif_31 (0.025)
motif_6 (0.974)
loss_132.6150 4.0 motif_31 (0.025)
motif_6 (0.974)
fragment_505.4350 4.0 motif_31 (0.025)
motif_6 (0.974)
fragment_434.9050 4.0 motif_31 (0.025)
motif_6 (0.974)
fragment_554.0350 4.0 motif_31 (0.025)
motif_6 (0.974)
fragment_342.9750 3.0 motif_31 (0.033)
motif_6 (0.965)