test

Description: test

Metadata:

      Motif_Name_Prefix: test
      Analysis_Polarity: positive ionisation mode
      MS2LDA_Experiment_ID: 2295
      Featureset_Id: 1
      Featureset_Name: binned_005
      Analysis_MassSpectrometer: Maxis_Impact
      Collision_Energy: CID
      Taxon_ID: test
      Scientific_Name: test
      Sample_Type: test
      Paper_URL: test
      Analysis_ChromatographyAndPhase: reverse phase (C18)
      Other_Information:
      Massive_ID: test
      Analysis_IonizationSource: electospray ionization
Motif Annotation
test_urine_mass2motif_78.m2m.m2m Betaine related Resolver: mzspec:MOTIFDB::accession:656718
test_motif_271.m2m None Resolver: mzspec:MOTIFDB::accession:656719
test_urine_mass2motif_202.m2m.m2m Acylcarnitine subset of C10 and longer acyl conjugates related Mass2Motif Resolver: mzspec:MOTIFDB::accession:656720
test_gnps_motif_8.m2m.m2m 2-(5-Methoxy-1H-indol-3-yl)ethyl substructure Resolver: mzspec:MOTIFDB::accession:656721
test_urine_mass2motif_138.m2m.m2m ethanolimidazole substructure related Mass2Motif Resolver: mzspec:MOTIFDB::accession:656722
test_Urine_MM_motif_255.m2m.m2m Contains gabapentin related motif Resolver: mzspec:MOTIFDB::accession:656723
test_gnps_motif_26.m2m.m2m 6-oxo-7 11-diazatricyclo[7.3.1.0~2 7~]trideca-2 4-diene-11-carboxamide substructure Resolver: mzspec:MOTIFDB::accession:656724
test_gnps_motif_9.m2m.m2m Isopropyl/propylamine substructure (loss based) or isopropyl/propyl side chain Resolver: mzspec:MOTIFDB::accession:656725
test_urine_mass2motif_22.m2m.m2m Mixed motif of Quinidine (urine 97) and different cores in other urines Resolver: mzspec:MOTIFDB::accession:656726
test_mb_motif_195.m2m.m2m Loss indicative for presence of amide functional group Resolver: mzspec:MOTIFDB::accession:656727
test_motif_306.m2m None Resolver: mzspec:MOTIFDB::accession:656728
test_motif_307.m2m None Resolver: mzspec:MOTIFDB::accession:656729
test_urine_mass2motif_291.m2m.m2m Check - nitrogen containing ring core structure - could be from alkaloid? Resolver: mzspec:MOTIFDB::accession:656730
test_urine_mass2motif_210.m2m.m2m Sartan related (includes antihypertensives such as losartan) Resolver: mzspec:MOTIFDB::accession:656731
test_motif_302.m2m None Resolver: mzspec:MOTIFDB::accession:656732
test_motif_303.m2m None Resolver: mzspec:MOTIFDB::accession:656733
test_motif_300.m2m None Resolver: mzspec:MOTIFDB::accession:656734
test_motif_301.m2m None Resolver: mzspec:MOTIFDB::accession:656735
test_mb_motif_10.m2m.m2m Loss of C3H6 - indicative for the presence of an isopropyl group Resolver: mzspec:MOTIFDB::accession:656736
test_motif_308.m2m None Resolver: mzspec:MOTIFDB::accession:656737
test_motif_309.m2m None Resolver: mzspec:MOTIFDB::accession:656738
test_gnps_motif_67.m2m.m2m genistein related Resolver: mzspec:MOTIFDB::accession:656739
test_gnps_motif_56.m2m.m2m Double water loss i.e. 2*H20 – Generic feature for metabolites containing several free OH groups attached to a aliphatic chain like sugars. Resolver: mzspec:MOTIFDB::accession:656740
test_urine_mass2motif_34.m2m.m2m Pipecolic acid (pipecolate) related Mass2Motif Resolver: mzspec:MOTIFDB::accession:656741
test_urine_mass2motif_173.m2m.m2m Cytoplex (citric acid based) plasticer related losses Resolver: mzspec:MOTIFDB::accession:656742
test_urine_mass2motif_242.m2m.m2m Trigonelline related Mass2Motif Resolver: mzspec:MOTIFDB::accession:656743
test_urine_mass2motif_190.m2m.m2m Loss based Mass2Motif - different losses combined in 147 and 105 losses - including glutamic acid (glutamate) related loss Resolver: mzspec:MOTIFDB::accession:656744
test_urine_mass2motif_281.m2m.m2m Mixed motif of Clopidogrel (urine 93) and a mix of other cores (no well defined ones in several mtbs) Resolver: mzspec:MOTIFDB::accession:656745
test_motif_238.m2m None Resolver: mzspec:MOTIFDB::accession:656746
test_motif_239.m2m None Resolver: mzspec:MOTIFDB::accession:656747
test_motif_232.m2m None Resolver: mzspec:MOTIFDB::accession:656748
test_motif_233.m2m None Resolver: mzspec:MOTIFDB::accession:656749
test_motif_230.m2m None Resolver: mzspec:MOTIFDB::accession:656750
test_motif_231.m2m None Resolver: mzspec:MOTIFDB::accession:656751
test_motif_236.m2m None Resolver: mzspec:MOTIFDB::accession:656752
test_motif_237.m2m None Resolver: mzspec:MOTIFDB::accession:656753
test_motif_234.m2m None Resolver: mzspec:MOTIFDB::accession:656754
test_motif_235.m2m None Resolver: mzspec:MOTIFDB::accession:656755
test_mb_motif_29.m2m.m2m Oxygen-rich losses and fragments also occurring in hexose spectra – related to M2M 211 (hexose [glucose] conjugatation) – possibly hydrated-hexose loss? Resolver: mzspec:MOTIFDB::accession:656756
test_urine_mass2motif_94.m2m.m2m Mixed motif of drug (urine 49) and other cores in other urines Resolver: mzspec:MOTIFDB::accession:656757
test_urine_mass2motif_133.m2m.m2m Glutamine related Mass2Motif Resolver: mzspec:MOTIFDB::accession:656758
test_gnps_motif_27.m2m.m2m (methylphenyl)sulfonylamino substructure [ClassyFire - Relevant terms - Substituents: Tosyl compound P-toluenesulfonamide Benzenesulfonamide Aminosulfonyl compound - Taxa: None] Resolver: mzspec:MOTIFDB::accession:656759
test_motif_275.m2m None Resolver: mzspec:MOTIFDB::accession:656760
test_urine_mass2motif_266.m2m.m2m Background related Mass2Motif - 62.92 fragmented across RT window for all urines Resolver: mzspec:MOTIFDB::accession:656761
test_mb_motif_40.m2m.m2m Loss indicative of [deoxyhexose-H2O] Resolver: mzspec:MOTIFDB::accession:656762
test_gnps_motif_62.m2m.m2m 10-Deacetylbaccatin-III related substructure Resolver: mzspec:MOTIFDB::accession:656763
test_urine_mass2motif_176.m2m.m2m Cytosine related Mass2Motif Resolver: mzspec:MOTIFDB::accession:656764
test_gnps_motif_16.m2m.m2m 4-(4-Methoxyphenyl)-2-oxo-2H-chromen-7-yl]oxy relared substructure (or isomeric variants) Resolver: mzspec:MOTIFDB::accession:656765
test_gnps_motif_367.m2m.m2m Amphotericin related Mass2Motif Resolver: mzspec:MOTIFDB::accession:656766
test_Urine_MM_motif_288.m2m.m2m Sartan related motif Resolver: mzspec:MOTIFDB::accession:656767
test_mb_motif_4.m2m.m2m Loss of methyl group – indicative for presence of methoxy [O-CH3] methylsulfyl [S-CH3] or methylgroup connected to aromatic ring system Resolver: mzspec:MOTIFDB::accession:656768
test_urine_mass2motif_169.m2m.m2m Includes but not restricted to citalopram [fluor] related fragments (i.e. 109.0470) Resolver: mzspec:MOTIFDB::accession:656769
test_urine_mass2motif_88.m2m.m2m Alkylamine related Mass2Motif (C4H10N and C3H8N fragments) Resolver: mzspec:MOTIFDB::accession:656770
test_gnps_motif_73.m2m.m2m oxy]acetyl}amino)methyl]cyclohexanecarboxylic acid related Mass2Motif (losses) Resolver: mzspec:MOTIFDB::accession:656771
test_motif_290.m2m None Resolver: mzspec:MOTIFDB::accession:656772
test_gnps_motif_7.m2m.m2m Small nitrogen containing fragment ion – often proline or ornithine derived – most abundant fragment in beer data Resolver: mzspec:MOTIFDB::accession:656773
test_urine_mass2motif_197.m2m.m2m methylpyridine substructure related Mass2Motif (also includes fragmented Trigonelline isotope) Resolver: mzspec:MOTIFDB::accession:656774
test_motif_292.m2m None Resolver: mzspec:MOTIFDB::accession:656775
test_urine_mass2motif_137.m2m.m2m Steroid core related (including C8H11O C7H9 and C6H9 fragments) Resolver: mzspec:MOTIFDB::accession:656776
test_gnps_motif_12.m2m.m2m Fragment ions indicative for C6H12NO substructure (in beer related to N-acetylputrescine - MzCloud) Resolver: mzspec:MOTIFDB::accession:656777
test_gnps_motif_18.m2m.m2m Acetyl loss Resolver: mzspec:MOTIFDB::accession:656778
test_motif_305.m2m None Resolver: mzspec:MOTIFDB::accession:656779
test_urine_mass2motif_95.m2m.m2m Methylimidazole related Mass2Motif Resolver: mzspec:MOTIFDB::accession:656780
test_mb_motif_28.m2m.m2m Fragment ions indicative for C6H12NO substructure (in beer related to N-acetylputrescine - MzCloud) Resolver: mzspec:MOTIFDB::accession:656781
test_urine_mass2motif_39.m2m.m2m Pyridoxal related substructure (one fragment is different) related Mass2Motif Resolver: mzspec:MOTIFDB::accession:656782
test_gnps_motif_115.m2m.m2m Sterone steroid related Mass2Motif Resolver: mzspec:MOTIFDB::accession:656783
test_gnps_motif_48.m2m.m2m Fragment ion indicative for conjugation of a phosphate group (H4O4P) Resolver: mzspec:MOTIFDB::accession:656784
test_urine_mass2motif_120.m2m.m2m Guanidinosuccinic acid related Mass2Motif (fragments relate to guanidino and coupled CH2-COOH group) Resolver: mzspec:MOTIFDB::accession:656785
test_motif_276.m2m None Resolver: mzspec:MOTIFDB::accession:656786
test_motif_277.m2m None Resolver: mzspec:MOTIFDB::accession:656787
test_motif_274.m2m None Resolver: mzspec:MOTIFDB::accession:656788
test_gnps_motif_41.m2m.m2m N-acetyl-4-piperidinecarboxylic acid substructure [ClassyFire; Relevant terms - Substituents: Piperidinecarboxilic acid N-acyl-piperidine - Taxa: None] Resolver: mzspec:MOTIFDB::accession:656789
test_motif_272.m2m None Resolver: mzspec:MOTIFDB::accession:656790
test_motif_273.m2m None Resolver: mzspec:MOTIFDB::accession:656791
test_motif_270.m2m None Resolver: mzspec:MOTIFDB::accession:656792
test_urine_mass2motif_212.m2m.m2m Multiple cores - CH4SO loss among others Resolver: mzspec:MOTIFDB::accession:656793
test_gnps_motif_19.m2m.m2m (5-Hydroxy-2 2-dimethyl-4-oxo-3 4-dihydro-2H-chromen-7-yl)oxy substructure Resolver: mzspec:MOTIFDB::accession:656794
test_motif_278.m2m None Resolver: mzspec:MOTIFDB::accession:656795
test_motif_279.m2m None Resolver: mzspec:MOTIFDB::accession:656796
test_Urine_MM_motif_382.m2m.m2m metformin related motif ( but also includes others? ) Resolver: mzspec:MOTIFDB::accession:656797
test_gnps_motif_2.m2m.m2m Benzenesulfonylamide related fragments and losses [ClassyFire - Relevant terms - Substituents: Aminobenzenesulfonamide Benzenesulfonyl group - Taxa: Aminobenzenesulfonamides Benzenesulfonamides] Resolver: mzspec:MOTIFDB::accession:656798
test_gnps_motif_6.m2m.m2m Diphenyl substructure [ClassyFire; Relevant terms - Substituents: Diphenylmethane - Taxa: Diphenylmethanes] Resolver: mzspec:MOTIFDB::accession:656799
test_gnps_motif_45.m2m.m2m Fragments indicative of a glycosylation – i.e. indicative for a sugar conjugation (in beer often related to glucose) Resolver: mzspec:MOTIFDB::accession:656800
test_urine_mass2motif_164.m2m.m2m [Phenylalanine-CHOOH] related Mass2Motif Resolver: mzspec:MOTIFDB::accession:656801
test_Urine_MM_gnps_motif_33.m2m.m2m.m2m tetrahydroisoquinoline substructure (contains also keyfragments for nicotine?) Resolver: mzspec:MOTIFDB::accession:656802
test_urine_mass2motif_269.m2m.m2m Mixed motif with serotonin-based drug Motif (urine 49) and random other cores (other urines) Resolver: mzspec:MOTIFDB::accession:656803
test_urine_mass2motif_165.m2m.m2m C9H12N and C12H19N2O3 based substructure related Mass2Motif - interesting - shows differential patterns Resolver: mzspec:MOTIFDB::accession:656804
test_gnps_motif_64.m2m.m2m phthalate substructure Resolver: mzspec:MOTIFDB::accession:656805
test_urine_mass2motif_183.m2m.m2m guanidino group related Mass2Motif (CH6N3 fragment) Resolver: mzspec:MOTIFDB::accession:656806
test_urine_mass2motif_37.m2m.m2m C5H7NO3 loss (likely Pyroglutamic acid) Resolver: mzspec:MOTIFDB::accession:656807
test_mb_motif_14.m2m.m2m Combination of small losses (i.e. NH3 and CH2O2) Resolver: mzspec:MOTIFDB::accession:656808
test_gnps_motif_65.m2m.m2m oxo-1 2 3 4-tetrahydrocyclopenta[c]chromen-7-yl substructure Resolver: mzspec:MOTIFDB::accession:656809
test_gnps_motif_72.m2m.m2m Diethylamino /dimethylaminoethyl substructure Resolver: mzspec:MOTIFDB::accession:656810
test_mb_motif_43.m2m.m2m Fragments indicative for histidine (C6H10N3O2) substructure (MzCloud) Resolver: mzspec:MOTIFDB::accession:656811
test_mb_motif_16.m2m.m2m Fragments indicative for quercetin/glycosylated quercetin substructure Resolver: mzspec:MOTIFDB::accession:656812
test_gnps_motif_32.m2m.m2m Pregn-4 or 5-ene-3-dione substructure Resolver: mzspec:MOTIFDB::accession:656813
test_urine_mass2motif_191.m2m.m2m Acylcarnitine related Mass2Motif - subset showing strong C3H9N loss Resolver: mzspec:MOTIFDB::accession:656814
test_urine_mass2motif_105.m2m.m2m Unclear what it can be - 164.9304 fragment and more related fragments and losses Resolver: mzspec:MOTIFDB::accession:656815
test_gnps_motif_17.m2m.m2m C4H8 loss indicative for saturated C4-alkyl substructure (often tert-butyl group or loss from 8 8-Trimethyl-2-oxo-9 10-dihydro-2H 8H-pyrano[2 3-f]chromen-5-yl substructure) Resolver: mzspec:MOTIFDB::accession:656816
test_urine_mass2motif_80.m2m.m2m Methoxyparacetamol related Resolver: mzspec:MOTIFDB::accession:656817
test_urine_mass2motif_220.m2m.m2m C2H5NO loss - possibly acetamide (N-acetyl group) - related Mass2Motif Resolver: mzspec:MOTIFDB::accession:656818
test_gnps_motif_57.m2m.m2m Fragment ions indicative for alkylamine substructure C5H10N (in beer often pipecolic acid [pipecolate]) Resolver: mzspec:MOTIFDB::accession:656819
test_mb_motif_9.m2m.m2m Loss of [hexose-H2O] – indication of hexose conjugation (for example glucose) Resolver: mzspec:MOTIFDB::accession:656820
test_urine_mass2motif_211.m2m.m2m 13C isotope motif of unknown core possibly Arecaidine (chewing nut metabolite) Resolver: mzspec:MOTIFDB::accession:656821
test_urine_mass2motif_246.m2m.m2m Theophylline related Mass2Motif Resolver: mzspec:MOTIFDB::accession:656822
test_urine_mass2motif_117.m2m.m2m Loss based Mass2Motif - different losses combined including 133 - C6H15NO2 e.g. from propylcarnitine Resolver: mzspec:MOTIFDB::accession:656823
test_gnps_motif_50.m2m.m2m Steroid core related (C18H21 and smaller fragments thereof - with C12H13 C11H11 and C11H13 most probable) Resolver: mzspec:MOTIFDB::accession:656824
test_motif_339.m2m None Resolver: mzspec:MOTIFDB::accession:656825
test_motif_338.m2m None Resolver: mzspec:MOTIFDB::accession:656826
test_urine_mass2motif_31.m2m.m2m Loss based Mass2Motif - different losses combined in 105 and 59 losses i.e. CH5N3 included Resolver: mzspec:MOTIFDB::accession:656827
test_motif_333.m2m None Resolver: mzspec:MOTIFDB::accession:656828
test_motif_332.m2m None Resolver: mzspec:MOTIFDB::accession:656829
test_motif_331.m2m None Resolver: mzspec:MOTIFDB::accession:656830
test_motif_330.m2m None Resolver: mzspec:MOTIFDB::accession:656831
test_motif_337.m2m None Resolver: mzspec:MOTIFDB::accession:656832
test_motif_336.m2m None Resolver: mzspec:MOTIFDB::accession:656833
test_motif_335.m2m None Resolver: mzspec:MOTIFDB::accession:656834
test_motif_334.m2m None Resolver: mzspec:MOTIFDB::accession:656835
test_motif_349.m2m None Resolver: mzspec:MOTIFDB::accession:656836
test_urine_mass2motif_66.m2m.m2m CO2 loss - from any specific structure?! Resolver: mzspec:MOTIFDB::accession:656837
test_gnps_motif_66.m2m.m2m Loss of [hexose-H2O] – indication of hexose conjugation (for example glucose) [ClassyFire - Relevant terms - Substituents: Hexose monosaccharide - Taxa: None] Resolver: mzspec:MOTIFDB::accession:656838
test_gnps_motif_34.m2m.m2m [1 3-dihydro-2-benzofuran-1-yl]pyrrolidine substructure Resolver: mzspec:MOTIFDB::accession:656839
test_urine_mass2motif_38.m2m.m2m methylethylimidazole substructure (i.e. from 3-methylhistamine) Resolver: mzspec:MOTIFDB::accession:656840
test_mb_motif_12.m2m.m2m Leucine related fragments and losses Resolver: mzspec:MOTIFDB::accession:656841
test_gnps_motif_28.m2m.m2m 2-oxochromen-7-yl [mainly dimethylated] related substructure Resolver: mzspec:MOTIFDB::accession:656842
test_urine_mass2motif_292.m2m.m2m Mixed motif of Diltiazem (urine 51) and citric acid (from citroplex plasticizer) related Mass2Motif (co-fragmentation in urine 51) Resolver: mzspec:MOTIFDB::accession:656843
test_mb_motif_39.m2m.m2m Fragments indicative adenine (C5H6N5) substructure Resolver: mzspec:MOTIFDB::accession:656844
test_gnps_motif_29.m2m.m2m 1-naphthalenamine substructure (or isomeric substructure) Resolver: mzspec:MOTIFDB::accession:656845
test_urine_mass2motif_260.m2m.m2m Diethyl phtalate related Mass2Motif Resolver: mzspec:MOTIFDB::accession:656846
test_gnps_motif_68.m2m.m2m 6-oxo-6H-benzo[c]chromen-3-yl substructure Resolver: mzspec:MOTIFDB::accession:656847
test_urine_mass2motif_30.m2m.m2m Unknown core - possibly Arecaidine(?! - or isomer....[a nut alkaloid]) substructure related Mass2Motif Resolver: mzspec:MOTIFDB::accession:656848
test_urine_mass2motif_149.m2m.m2m Chlorphenamine related (230.07 fragment) + another drug? (135.05 fragment) Resolver: mzspec:MOTIFDB::accession:656849
test_urine_mass2motif_271.m2m.m2m Fragments indicative for presence of steroid backbone Resolver: mzspec:MOTIFDB::accession:656850
test_urine_mass2motif_207.m2m.m2m Glutamine related Mass2Motif (smaller degrees very similar fragments to M2M 133) Resolver: mzspec:MOTIFDB::accession:656851
test_urine_mass2motif_279.m2m.m2m Codeine related Resolver: mzspec:MOTIFDB::accession:656852
test_gnps_motif_69.m2m.m2m H-dibenzo(a d)cyclohepten-5-ylidene substructure (and isomer with three connected benzene rings) Resolver: mzspec:MOTIFDB::accession:656853
test_mb_motif_33.m2m.m2m Fragment ions indicative for guanine (C5H5N5O) based substructure Resolver: mzspec:MOTIFDB::accession:656854
test_gnps_motif_1.m2m.m2m Sterone related Resolver: mzspec:MOTIFDB::accession:656855
test_urine_mass2motif_59.m2m.m2m Verapamil related (anithypertensive) Resolver: mzspec:MOTIFDB::accession:656856
test_motif_348.m2m None Resolver: mzspec:MOTIFDB::accession:656857
test_urine_mass2motif_130.m2m.m2m Polyethylene glycol related Mass2Motif – C6H13O3 fragment and smaller fragments present in PEG related compounds Resolver: mzspec:MOTIFDB::accession:656858
test_motif_266.m2m None Resolver: mzspec:MOTIFDB::accession:656859
test_urine_mass2motif_194.m2m.m2m Creatinine related Mass2Motif Resolver: mzspec:MOTIFDB::accession:656860
test_urine_mass2motif_93.m2m.m2m Mass2Motif related to [glucoronate-H2O] indicative for glucuronidation Resolver: mzspec:MOTIFDB::accession:656861
test_urine_mass2motif_56.m2m.m2m Methylcytosine related Mass2Motif Resolver: mzspec:MOTIFDB::accession:656862
test_urine_mass2motif_278.m2m.m2m Dimethylated guanidino group related Resolver: mzspec:MOTIFDB::accession:656863
test_urine_mass2motif_41.m2m.m2m Multiple losses Resolver: mzspec:MOTIFDB::accession:656864
test_motif_322.m2m None Resolver: mzspec:MOTIFDB::accession:656865
test_motif_342.m2m None Resolver: mzspec:MOTIFDB::accession:656866
test_urine_mass2motif_4.m2m.m2m 4 6-Dimethyl-2-pyrimidinamine related?! Mass2Motif - check further.... Resolver: mzspec:MOTIFDB::accession:656867
test_gnps_motif_20.m2m.m2m 4-keto-chlorobenzene substructure Resolver: mzspec:MOTIFDB::accession:656868
test_motif_347.m2m None Resolver: mzspec:MOTIFDB::accession:656869
test_urine_mass2motif_262.m2m.m2m Background related Mass2Motif - 115 fragmented across RT window for all urines Resolver: mzspec:MOTIFDB::accession:656870
test_gnps_motif_40.m2m.m2m CO loss - indicative for presence of ketone/aldehyde/lactone group (C=O) Resolver: mzspec:MOTIFDB::accession:656871
test_Urine_MM_motif_416.m2m.m2m Amoxicillin related Resolver: mzspec:MOTIFDB::accession:656872
test_urine_mass2motif_249.m2m.m2m Methylcytosine related Mass2Motif Resolver: mzspec:MOTIFDB::accession:656873
test_motif_346.m2m None Resolver: mzspec:MOTIFDB::accession:656874
test_gnps_motif_43.m2m.m2m Water loss - indicative of a free hydroxyl group – (in beer often seen in sugary structures) Resolver: mzspec:MOTIFDB::accession:656875
test_motif_249.m2m None Resolver: mzspec:MOTIFDB::accession:656876
test_motif_248.m2m None Resolver: mzspec:MOTIFDB::accession:656877
test_motif_243.m2m None Resolver: mzspec:MOTIFDB::accession:656878
test_motif_242.m2m None Resolver: mzspec:MOTIFDB::accession:656879
test_gnps_motif_53.m2m.m2m Imidazole group linked to a carboxylgroup through one CH2 group i.e. like in imidazole acetic acid Resolver: mzspec:MOTIFDB::accession:656880
test_motif_240.m2m None Resolver: mzspec:MOTIFDB::accession:656881
test_motif_247.m2m None Resolver: mzspec:MOTIFDB::accession:656882
test_motif_246.m2m None Resolver: mzspec:MOTIFDB::accession:656883
test_motif_245.m2m None Resolver: mzspec:MOTIFDB::accession:656884
test_motif_244.m2m None Resolver: mzspec:MOTIFDB::accession:656885
test_motif_360.m2m None Resolver: mzspec:MOTIFDB::accession:656886
test_motif_361.m2m None Resolver: mzspec:MOTIFDB::accession:656887
test_motif_362.m2m None Resolver: mzspec:MOTIFDB::accession:656888
test_motif_363.m2m None Resolver: mzspec:MOTIFDB::accession:656889
test_urine_mass2motif_67.m2m.m2m Sugar related (small) fragments Resolver: mzspec:MOTIFDB::accession:656890
test_motif_365.m2m None Resolver: mzspec:MOTIFDB::accession:656891
test_motif_366.m2m None Resolver: mzspec:MOTIFDB::accession:656892
test_gnps_motif_13.m2m.m2m Amine loss - Indicative for free NH2 group in fragmented molecule Resolver: mzspec:MOTIFDB::accession:656893
test_gnps_motif_24.m2m.m2m Fragments indicative for tyrosine related substructure (MzCloud) Resolver: mzspec:MOTIFDB::accession:656894
test_motif_286.m2m None Resolver: mzspec:MOTIFDB::accession:656895
test_gnps_motif_60.m2m.m2m Quinazolinol substructure (or formed after fragmentation event of dihydro analogue) [ClassyFire: Relevant terms - Substituents: Quinoxaline - Taxa: None] Resolver: mzspec:MOTIFDB::accession:656896
test_gnps_motif_51.m2m.m2m Oxygen-rich losses and fragments also occurring in hexose spectra – related to M2M 211 (hexose [glucose] conjugatation) – possibly hydrated-hexose loss? [ClassyFire - Relevant terms - Substituents: O-glycosyl compound Hexose monosaccharide Polyol] Resolver: mzspec:MOTIFDB::accession:656897
test_motif_283.m2m None Resolver: mzspec:MOTIFDB::accession:656898
test_urine_mass2motif_232.m2m.m2m Mixed motif including Carvedilol (urine 105) - and unclear other cores in other urines Resolver: mzspec:MOTIFDB::accession:656899
test_motif_282.m2m None Resolver: mzspec:MOTIFDB::accession:656900
test_urine_mass2motif_180.m2m.m2m Mixed motif - several cores - some metabolites fragmented several times (including isotopes) Resolver: mzspec:MOTIFDB::accession:656901
test_gnps_motif_11.m2m.m2m Alkyl aromatic substructure – indicative for aromatic ring with 2-carbon alkyl chain attached i.e. phenylethene fragment from ethylbenzene as a result of the fragmentation process. Resolver: mzspec:MOTIFDB::accession:656902
test_gnps_motif_37.m2m.m2m Fragments indicative for cinnamic/hydroxycinnamic acid substructure Resolver: mzspec:MOTIFDB::accession:656903
test_gnps_motif_10.m2m.m2m cinchonan-9-ol substructure Resolver: mzspec:MOTIFDB::accession:656904
test_urine_mass2motif_47.m2m.m2m Mixed motif of drug possibly methoxamine related in urine 51 and other cores spread over the other urines Resolver: mzspec:MOTIFDB::accession:656905
test_urine_mass2motif_175.m2m.m2m 2-Amino-2-norbornanecarboxylic acid related?? includes but not restricted to ramipril Resolver: mzspec:MOTIFDB::accession:656906
test_urine_mass2motif_115.m2m.m2m CHOOH loss - indicative for free carboxylic acid group Resolver: mzspec:MOTIFDB::accession:656907
test_urine_mass2motif_64.m2m.m2m C6H9NO3 substructure - possibly (2-Oxo-1-pyrrolidinyl)acetic acid - related Mass2Motif Resolver: mzspec:MOTIFDB::accession:656908
test_gnps_motif_25.m2m.m2m Indole substructure Resolver: mzspec:MOTIFDB::accession:656909
test_urine_mass2motif_57.m2m.m2m Double water loss i.e. 2*H20 – Generic feature for metabolites containing several free OH groups attached to a aliphatic chain like sugars. Resolver: mzspec:MOTIFDB::accession:656910
test_motif_323.m2m None Resolver: mzspec:MOTIFDB::accession:656911
test_urine_mass2motif_163.m2m.m2m Benzoyl substructure (likely from N-benzoyl) related Mass2Motif Resolver: mzspec:MOTIFDB::accession:656912
test_gnps_motif_4.m2m.m2m Fragment and loss of [proline-H2O] - indicative for conjugated proline or arginine/ornithine – EF fits Resolver: mzspec:MOTIFDB::accession:656913
test_urine_mass2motif_248.m2m.m2m Methylindole substructure related Mass2Motif Resolver: mzspec:MOTIFDB::accession:656914
test_urine_mass2motif_241.m2m.m2m Loss of [hexose-H2O] – indication of hexose conjugation (for example glucose) Resolver: mzspec:MOTIFDB::accession:656915
test_urine_mass2motif_97.m2m.m2m Paracetamol related Resolver: mzspec:MOTIFDB::accession:656916
test_urine_mass2motif_240.m2m.m2m (E)-N5-(1-Aminoethylidene)-L-ornithine related mass2motif Resolver: mzspec:MOTIFDB::accession:656917
test_urine_mass2motif_29.m2m.m2m Major loss is related to loss of sulphate group from phenolic (aromatic) structure (SO3 loss) Resolver: mzspec:MOTIFDB::accession:656918
test_gnps_motif_35.m2m.m2m Fragment ions indicative for pyroglutamic acid (pyroglutamate) or glutamine (both in MzCloud) – structure can be formed from glutamic acid (glutamate) in the mass spectrometer as well. Resolver: mzspec:MOTIFDB::accession:656919
test_urine_mass2motif_128.m2m.m2m Mostly proline betaine C13 isotope related Mass2Motif Resolver: mzspec:MOTIFDB::accession:656920
test_gnps_motif_44.m2m.m2m [Pentose (C5-sugar)-H2O] related loss – indicative for conjugated pentose sugar - EF fits Resolver: mzspec:MOTIFDB::accession:656921
test_urine_mass2motif_52.m2m.m2m Clear distinct pattern - Mass2Motif possibly related to 3-(3-methyl-5-oxo-1 4-dihydropyrazol-4-yl)propanoic acid Resolver: mzspec:MOTIFDB::accession:656922
test_urine_mass2motif_32.m2m.m2m CH3ON loss - [loss ppm out of normal range - feature selection issue?] Resolver: mzspec:MOTIFDB::accession:656923
test_urine_mass2motif_224.m2m.m2m Amlodipine related (antihypertensive) Resolver: mzspec:MOTIFDB::accession:656924
test_gnps_motif_55.m2m.m2m Fragments indicative for dihydroxylated benzene ring substructure (MzCloud) – C6H5O2 fragment corresponds to positively charged fragment with two hydroxyl groups. Resolver: mzspec:MOTIFDB::accession:656925
test_Urine_MM_motif_319.m2m.m2m includes drug sulfapyridine related motifs, but contains also other Resolver: mzspec:MOTIFDB::accession:656926
test_urine_mass2motif_152.m2m.m2m Background related Mass2Motif - 147 fragmented across RT window for all urines Resolver: mzspec:MOTIFDB::accession:656927
test_urine_mass2motif_104.m2m.m2m 5 6-dihydroxyindole related (fragments would fit substructure - indole related) Resolver: mzspec:MOTIFDB::accession:656928
test_motif_287.m2m None Resolver: mzspec:MOTIFDB::accession:656929
test_urine_mass2motif_111.m2m.m2m Includes but not restricted to cotinine Resolver: mzspec:MOTIFDB::accession:656930
test_motif_285.m2m None Resolver: mzspec:MOTIFDB::accession:656931
test_motif_284.m2m None Resolver: mzspec:MOTIFDB::accession:656932
test_motif_328.m2m None Resolver: mzspec:MOTIFDB::accession:656933
test_motif_329.m2m None Resolver: mzspec:MOTIFDB::accession:656934
test_motif_281.m2m None Resolver: mzspec:MOTIFDB::accession:656935
test_motif_280.m2m None Resolver: mzspec:MOTIFDB::accession:656936
test_motif_324.m2m None Resolver: mzspec:MOTIFDB::accession:656937
test_motif_325.m2m None Resolver: mzspec:MOTIFDB::accession:656938
test_motif_326.m2m None Resolver: mzspec:MOTIFDB::accession:656939
test_motif_327.m2m None Resolver: mzspec:MOTIFDB::accession:656940
test_motif_320.m2m None Resolver: mzspec:MOTIFDB::accession:656941
test_motif_321.m2m None Resolver: mzspec:MOTIFDB::accession:656942
test_motif_289.m2m None Resolver: mzspec:MOTIFDB::accession:656943
test_motif_288.m2m None Resolver: mzspec:MOTIFDB::accession:656944
test_gnps_motif_23.m2m.m2m Desosamine [deoxyaminosugar found in macrolides] Resolver: mzspec:MOTIFDB::accession:656945
test_urine_mass2motif_186.m2m.m2m Mixed motif of Cyclobenzaprine related metabolites (urine 02) and unclear cores (other urines) Resolver: mzspec:MOTIFDB::accession:656946
test_gnps_motif_70.m2m.m2m indicative of piperazine substructure (or related N-containing ring structures for C2H5N loss only) Resolver: mzspec:MOTIFDB::accession:656947
test_urine_mass2motif_134.m2m.m2m methylaminobenzene substructure related Mass2Motif (i.e. from dimethylaniline) Resolver: mzspec:MOTIFDB::accession:656948
test_urine_mass2motif_100.m2m.m2m C5H6NO and C4H6N fragments - most likely hydroxypyridine Resolver: mzspec:MOTIFDB::accession:656949
test_gnps_motif_0.m2m.m2m Methoxylated benzene substructure [ClassyFire - Relevant terms - Substituents: Methoxybenzene Phenoxy compounds - Taxa: O-methylated flavonoids] Resolver: mzspec:MOTIFDB::accession:656950
test_mb_motif_150.m2m.m2m Loss of acetyl group (C2H2O) - indicative for presence of N/O acetylation Resolver: mzspec:MOTIFDB::accession:656951
test_motif_359.m2m None Resolver: mzspec:MOTIFDB::accession:656952
test_motif_358.m2m None Resolver: mzspec:MOTIFDB::accession:656953
test_urine_mass2motif_43.m2m.m2m CHOOH loss - indicative for free carboxylic acid group [grouped with other 46 losses - fewer in degrees] Resolver: mzspec:MOTIFDB::accession:656954
test_motif_217.m2m None Resolver: mzspec:MOTIFDB::accession:656955
test_motif_218.m2m None Resolver: mzspec:MOTIFDB::accession:656956
test_motif_219.m2m None Resolver: mzspec:MOTIFDB::accession:656957
test_motif_353.m2m None Resolver: mzspec:MOTIFDB::accession:656958
test_motif_352.m2m None Resolver: mzspec:MOTIFDB::accession:656959
test_motif_355.m2m None Resolver: mzspec:MOTIFDB::accession:656960
test_motif_354.m2m None Resolver: mzspec:MOTIFDB::accession:656961
test_urine_mass2motif_65.m2m.m2m Background related Mass2Motif - 202 fragmented across RT window Resolver: mzspec:MOTIFDB::accession:656962
test_urine_mass2motif_221.m2m.m2m Unclear what it can be - 105.9654 fragment Resolver: mzspec:MOTIFDB::accession:656963
test_urine_mass2motif_273.m2m.m2m Fragments (C4H8NO ring fragment - and C4H7O2 and C4H5O fragments) indicative for C4H10NO2 amino acid substructure Resolver: mzspec:MOTIFDB::accession:656964
test_gnps_motif_15.m2m.m2m Fragments indicative for y-aminobutyric acid (amimobutyrate) substructure (MzCloud) – present in Beer 2 & Beer 3 – in beer 3 mainly based on C4H7O2 fragment. Resolver: mzspec:MOTIFDB::accession:656965
test_urine_mass2motif_229.m2m.m2m Trimethylamine related Resolver: mzspec:MOTIFDB::accession:656966
test_urine_mass2motif_159.m2m.m2m C6H10O3 metabolite with C3H7O fragment - check - interesting! Resolver: mzspec:MOTIFDB::accession:656967
test_gnps_motif_42.m2m.m2m Fragments indicative adenine (C5H6N5) substructure – most prevalent in Beer3 Resolver: mzspec:MOTIFDB::accession:656968
test_gnps_motif_14.m2m.m2m Aliphatic amine (NH3 loss indicates free NH2 group coupled to aliphatic chain) Resolver: mzspec:MOTIFDB::accession:656969
test_urine_mass2motif_247.m2m.m2m Isotopes of Acylcarnitines related Mass2Motif Resolver: mzspec:MOTIFDB::accession:656970
test_urine_mass2motif_237.m2m.m2m Proline betaine related Resolver: mzspec:MOTIFDB::accession:656971
test_urine_mass2motif_122.m2m.m2m Paracetamol mercapturate related (i.e. metabolites containing N-acetylcysteine adduct with paracetamol) Resolver: mzspec:MOTIFDB::accession:656972
test_urine_mass2motif_192.m2m.m2m Creatine related Mass2Motif Resolver: mzspec:MOTIFDB::accession:656973
test_urine_mass2motif_1.m2m.m2m 62.98196 fragment - unsure what it represents but present across several fragm spectra Resolver: mzspec:MOTIFDB::accession:656974
test_gnps_motif_38.m2m.m2m Loss of CH2O2 - indicative for underivatized carboxilic acid group Resolver: mzspec:MOTIFDB::accession:656975
test_urine_mass2motif_187.m2m.m2m Mass2Motif related to Imidazole group linked to a carboxylgroup through one CH2 group i.e. like in imidazole acetic acid Resolver: mzspec:MOTIFDB::accession:656976
test_motif_351.m2m None Resolver: mzspec:MOTIFDB::accession:656977
test_urine_mass2motif_148.m2m.m2m Unclear Mass2Motif Resolver: mzspec:MOTIFDB::accession:656978
test_gnps_motif_49.m2m.m2m Loss possibly indicative of carboxylic acid group with 1-carbon attached. Resolver: mzspec:MOTIFDB::accession:656979
test_gnps_motif_36.m2m.m2m 2-oxochromen-7-yl [mainly trimethylated] related substructure Resolver: mzspec:MOTIFDB::accession:656980
test_motif_364.m2m None Resolver: mzspec:MOTIFDB::accession:656981
test_motif_304.m2m None Resolver: mzspec:MOTIFDB::accession:656982
test_urine_mass2motif_245.m2m.m2m Unclear Mass2Motif Resolver: mzspec:MOTIFDB::accession:656983
test_motif_350.m2m None Resolver: mzspec:MOTIFDB::accession:656984
test_motif_258.m2m None Resolver: mzspec:MOTIFDB::accession:656985
test_motif_259.m2m None Resolver: mzspec:MOTIFDB::accession:656986
test_motif_254.m2m None Resolver: mzspec:MOTIFDB::accession:656987
test_motif_255.m2m None Resolver: mzspec:MOTIFDB::accession:656988
test_motif_256.m2m None Resolver: mzspec:MOTIFDB::accession:656989
test_motif_257.m2m None Resolver: mzspec:MOTIFDB::accession:656990
test_motif_250.m2m None Resolver: mzspec:MOTIFDB::accession:656991
test_motif_251.m2m None Resolver: mzspec:MOTIFDB::accession:656992
test_motif_252.m2m None Resolver: mzspec:MOTIFDB::accession:656993
test_motif_253.m2m None Resolver: mzspec:MOTIFDB::accession:656994
test_motif_315.m2m None Resolver: mzspec:MOTIFDB::accession:656995
test_motif_314.m2m None Resolver: mzspec:MOTIFDB::accession:656996
test_urine_mass2motif_282.m2m.m2m Quinidine related substructure? Resolver: mzspec:MOTIFDB::accession:656997
test_motif_316.m2m None Resolver: mzspec:MOTIFDB::accession:656998
test_motif_311.m2m None Resolver: mzspec:MOTIFDB::accession:656999
test_motif_310.m2m None Resolver: mzspec:MOTIFDB::accession:657000
test_motif_313.m2m None Resolver: mzspec:MOTIFDB::accession:657001
test_motif_312.m2m None Resolver: mzspec:MOTIFDB::accession:657002
test_motif_241.m2m None Resolver: mzspec:MOTIFDB::accession:657003
test_motif_356.m2m None Resolver: mzspec:MOTIFDB::accession:657004
test_motif_319.m2m None Resolver: mzspec:MOTIFDB::accession:657005
test_motif_318.m2m None Resolver: mzspec:MOTIFDB::accession:657006
test_gnps_motif_274.m2m.m2m 3-oxo-delta-1 4-progestogin based steroid related Mass2Motif Resolver: mzspec:MOTIFDB::accession:657007
test_mb_motif_42.m2m.m2m Fragments indicative for kaempferol/glycosylated kaempferol substructure Resolver: mzspec:MOTIFDB::accession:657008
test_urine_mass2motif_27.m2m.m2m C5H10NO and C3H6N fragments - most likely N-methyl-morpholine substructure Resolver: mzspec:MOTIFDB::accession:657009
test_motif_317.m2m None Resolver: mzspec:MOTIFDB::accession:657010
test_urine_mass2motif_239.m2m.m2m Paracetamol related Mass2Motif (C13 isotope features and fragments) Resolver: mzspec:MOTIFDB::accession:657011
test_Urine_MM_motif_399.m2m.m2m Could be paracetemol related (fragment 110 and 65) Resolver: mzspec:MOTIFDB::accession:657012
test_motif_229.m2m None Resolver: mzspec:MOTIFDB::accession:657013
test_motif_228.m2m None Resolver: mzspec:MOTIFDB::accession:657014
test_urine_mass2motif_18.m2m.m2m C2H3N loss - could be specific for a type of ring? Resolver: mzspec:MOTIFDB::accession:657015
test_motif_221.m2m None Resolver: mzspec:MOTIFDB::accession:657016
test_motif_220.m2m None Resolver: mzspec:MOTIFDB::accession:657017
test_motif_223.m2m None Resolver: mzspec:MOTIFDB::accession:657018
test_motif_222.m2m None Resolver: mzspec:MOTIFDB::accession:657019
test_motif_225.m2m None Resolver: mzspec:MOTIFDB::accession:657020
test_motif_224.m2m None Resolver: mzspec:MOTIFDB::accession:657021
test_motif_227.m2m None Resolver: mzspec:MOTIFDB::accession:657022
test_motif_226.m2m None Resolver: mzspec:MOTIFDB::accession:657023
test_urine_mass2motif_106.m2m.m2m Unsaturated di-carboxilic fatty acids related Mass2Motif Resolver: mzspec:MOTIFDB::accession:657024
test_mb_motif_11.m2m.m2m Atenolol related fragments and losses Resolver: mzspec:MOTIFDB::accession:657025
test_gnps_motif_30.m2m.m2m Methylated [7 or 3 7] 2-(4-Hydroxy-6-oxotetrahydro-2H-pyran-2-yl)ethyl substructure Resolver: mzspec:MOTIFDB::accession:657026
test_motif_357.m2m None Resolver: mzspec:MOTIFDB::accession:657027
test_gnps_motif_39.m2m.m2m Hydroxy-Pregnenolone related fragments (not very specific - indicative for presence of steroid backbone) Resolver: mzspec:MOTIFDB::accession:657028
test_gnps_motif_63.m2m.m2m 8-methoxy-11b-methyl-1 3-dioxo-5 6 11 11b-tetrahydro-1H-imidazo[1' 5':1 2]pyrido[3 4-b]indol-2(3H)-yl)propanamide substructure Resolver: mzspec:MOTIFDB::accession:657029
test_gnps_motif_22.m2m.m2m losses indicative for 4-oxo-1 4-dihydroquinoline-3-carboxylic acid substructure in GNPS [ClassyFire - Relevant terms - Substituents: Dihydroquinolone Dihydroquinoline - Taxa: Quinoline carboxylic acids Quinolines and derivatives] Resolver: mzspec:MOTIFDB::accession:657030
test_gnps_motif_71.m2m.m2m 4-Methyl-6-oxo-6H-benzo[c]chromen-3-yl substructure Resolver: mzspec:MOTIFDB::accession:657031
test_urine_mass2motif_208.m2m.m2m Unclear what it can be - loss related to features containing 80.9479 fragment Resolver: mzspec:MOTIFDB::accession:657032
test_urine_mass2motif_177.m2m.m2m Drug or xenobiotic - present in three urines and both sulphation and glucuronidation of core structure Resolver: mzspec:MOTIFDB::accession:657033
test_gnps_motif_46.m2m.m2m Benzenechloride substructure [ClassyFire - Relevant terms - Substituents: Aryl chloride - Taxa: None] Resolver: mzspec:MOTIFDB::accession:657034
test_motif_298.m2m None Resolver: mzspec:MOTIFDB::accession:657035
test_motif_299.m2m None Resolver: mzspec:MOTIFDB::accession:657036
test_urine_mass2motif_268.m2m.m2m Glutamine related Mass2Motif (C13 isotopes) Resolver: mzspec:MOTIFDB::accession:657037
test_gnps_motif_59.m2m.m2m Fragments indicative for [phenylalanine-CHOOH] based substructure Resolver: mzspec:MOTIFDB::accession:657038
test_motif_291.m2m None Resolver: mzspec:MOTIFDB::accession:657039
test_gnps_motif_31.m2m.m2m Fluorobenzyl substructure Resolver: mzspec:MOTIFDB::accession:657040
test_motif_293.m2m None Resolver: mzspec:MOTIFDB::accession:657041
test_motif_294.m2m None Resolver: mzspec:MOTIFDB::accession:657042
test_motif_295.m2m None Resolver: mzspec:MOTIFDB::accession:657043
test_motif_296.m2m None Resolver: mzspec:MOTIFDB::accession:657044
test_motif_297.m2m None Resolver: mzspec:MOTIFDB::accession:657045
test_gnps_motif_58.m2m.m2m Fragments indicative for asparagine substructure (MzCloud) – prevalent in Beer 3 Resolver: mzspec:MOTIFDB::accession:657046
test_urine_mass2motif_256.m2m.m2m 2-amino-hexanoic acid substructure Resolver: mzspec:MOTIFDB::accession:657047
test_urine_mass2motif_167.m2m.m2m hydroxylated amine-steroid core? Resolver: mzspec:MOTIFDB::accession:657048
test_urine_mass2motif_151.m2m.m2m Dimethylated pyrogallol substructure related Mass2Motif Resolver: mzspec:MOTIFDB::accession:657049
test_gnps_motif_61.m2m.m2m Theophylline substructure Resolver: mzspec:MOTIFDB::accession:657050
test_urine_mass2motif_261.m2m.m2m Dechloronated substructure of Chlorphenamine related Resolver: mzspec:MOTIFDB::accession:657051
test_motif_265.m2m None Resolver: mzspec:MOTIFDB::accession:657052
test_motif_264.m2m None Resolver: mzspec:MOTIFDB::accession:657053
test_motif_267.m2m None Resolver: mzspec:MOTIFDB::accession:657054
test_gnps_motif_52.m2m.m2m Fragment indicative for aromatic compounds related to methylbenzene substructure (C7H7 fragment) Resolver: mzspec:MOTIFDB::accession:657055
test_motif_261.m2m None Resolver: mzspec:MOTIFDB::accession:657056
test_motif_260.m2m None Resolver: mzspec:MOTIFDB::accession:657057
test_motif_263.m2m None Resolver: mzspec:MOTIFDB::accession:657058
test_motif_262.m2m None Resolver: mzspec:MOTIFDB::accession:657059
test_urine_mass2motif_213.m2m.m2m C4H7O3 fragment with CO2 loss - likely indicative of fatty acid substructure (1/2-OH-propionic acid?) Resolver: mzspec:MOTIFDB::accession:657060
test_motif_343.m2m None Resolver: mzspec:MOTIFDB::accession:657061
test_motif_340.m2m None Resolver: mzspec:MOTIFDB::accession:657062
test_motif_341.m2m None Resolver: mzspec:MOTIFDB::accession:657063
test_motif_269.m2m None Resolver: mzspec:MOTIFDB::accession:657064
test_motif_268.m2m None Resolver: mzspec:MOTIFDB::accession:657065
test_motif_344.m2m None Resolver: mzspec:MOTIFDB::accession:657066
test_motif_345.m2m None Resolver: mzspec:MOTIFDB::accession:657067
test_urine_mass2motif_236.m2m.m2m Mixed motif of modified Diltiazem related (urines 51 and 85) and smaller (methoxylated) phenolic substructure related Mass2Motif Resolver: mzspec:MOTIFDB::accession:657068
test_urine_mass2motif_68.m2m.m2m Alkyl aromatic substructure – indicative for aromatic ring with 2-carbon alkyl chain attached i.e. phenylethene fragment Resolver: mzspec:MOTIFDB::accession:657069
test_gnps_motif_54.m2m.m2m Fragments indicative for ferulic acid based substructure (MzCloud) Resolver: mzspec:MOTIFDB::accession:657070
test_urine_mass2motif_181.m2m.m2m Methyladenine related Mass2Motif Resolver: mzspec:MOTIFDB::accession:657071
test_gnps_motif_47.m2m.m2m Fragments indicative for histidine (C6H10N3O2) substructure (MzCloud) Resolver: mzspec:MOTIFDB::accession:657072
test_urine_mass2motif_153.m2m.m2m Histidine related Resolver: mzspec:MOTIFDB::accession:657073
test_urine_mass2motif_203.m2m.m2m Acylcarnitine related Mass2Motif (mostly) [smaller in degree] Resolver: mzspec:MOTIFDB::accession:657074
test_urine_mass2motif_23.m2m.m2m Glycine and glycine-C=O related [loss based] Mass2Motif - could contain 'acylglycines' Resolver: mzspec:MOTIFDB::accession:657075
test_gnps_motif_3.m2m.m2m nitrogen containing substructure [C5H12N] (in beer related to Leucine) Resolver: mzspec:MOTIFDB::accession:657076
test_urine_mass2motif_90.m2m.m2m N-acetylneuramic acid and hydroxybenzoyl related Resolver: mzspec:MOTIFDB::accession:657077
test_urine_mass2motif_102.m2m.m2m Unclear what it can be - 128.9533 fragment Resolver: mzspec:MOTIFDB::accession:657078
test_urine_mass2motif_50.m2m.m2m Unclear what it can be - 80.9479 fragment of at least three related (co-eluting) masses Resolver: mzspec:MOTIFDB::accession:657079
test_urine_mass2motif_284.m2m.m2m Hypoxanthine related Resolver: mzspec:MOTIFDB::accession:657080
test_gnps_motif_21.m2m.m2m Fragments indicative for ethylphenol substructure (i.e. resulting from Tyramine – MzCloud) Resolver: mzspec:MOTIFDB::accession:657081
test_urine_mass2motif_272.m2m.m2m Taurine related (+ 143.1177 fragment?) Resolver: mzspec:MOTIFDB::accession:657082
test_urine_mass2motif_83.m2m.m2m 4-Methoxy-1H-benzimidazole substructure (of Esomeprazole) related Mass2Motif Resolver: mzspec:MOTIFDB::accession:657083
test_gnps_motif_170.m2m.m2m methoxy-methylaminophenyl substructure Resolver: mzspec:MOTIFDB::accession:657084