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. 2019 May 3;13(9):2183–2195. doi: 10.1038/s41396-019-0427-7

Table 2.

Examples of dissolved organic matter (DOM) components that have complete annotations. DIM1 and DIM2 refer to the contribution of the DOM component to the DOM principal coordinates analysis (Fig. 1). Each component includes an inferred molecular mass and formula, elemental stoichiometry (C:N:P), and nominal oxidation state of carbon (NOSC). In addition, components are given molecular annotations and organized based on ontology into molecular Superclass, Class, and Subclass

Component DIM1 DIM2 Inferred Mass Inferred Formula C:N:P NOSC Annotation Superclass Class Subclass
C3 0.65 0.18 396.14 C19H20N6O2S 19:6:0 0.21 N-(4-acetamidophenyl)-2-[[1-(4-ethylphenyl)-5-tetrazolyl]thio]acetamide Organoheterocyclic compounds Azoles Tetrazoles
C10 0.27 0.58 252.10 C12H16N2O2S 12:2:0 −0.33 cyclohexanecarboxylic acid [1-(2-thiazolyl)ethylideneamino] ester Organoheterocyclic compounds Azoles Thiazoles
C15 0.44 0.42 296.13 C11H16N6O4 11:6:0 0.91 2-Methylaminoadenosine Nucleosides, nucleotides, and analogues Purine nucleosides Purine nucleosides
C17 0.62 0.02 324.12 C12H16N6O5 12:6:0 1.00 archaeosine Nucleosides, nucleotides, and analogues Pyrrolopyrimidine nucleosides and nucleotides Pyrrolopyrimidine nucleosides and nucleotides
C18 0.41 0.53 356.11 C16H16N6O2S 16:6:0 0.50 1-(4-morpholinyl)-2-[[3-(3-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]thio]ethanone Organoheterocyclic compounds Pyridines and derivatives Pyridyltriazoles
C23 −0.24 0.73 270.11 C12H18N2O3S 12:2:0 −0.33 Tolbutamide Benzenoids Benzene and substituted derivatives Benzenesulfonamides
C26 0.33 0.66 336.14 C15H20N4O5 15:4:0 0.13 LSM-36722 Benzenoids Benzene and substituted derivatives Nitrobenzenes
C36 0.18 0.77 282.11 C10H14N6O4 10:6:0 1.20 2-Aminoadenosine Nucleosides, nucleotides, and analogues Purine nucleosides Purine nucleosides
C37 0.25 0.90 310.14 C11H22N2O8 11:2:0 0.00 mannopine Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues
C39 0.24 0.67 386.12 C14H26O10S 14:0:0 −0.29 alpha-L-Rhap-(1- > 3)-beta-D-Glcp-O[CH2]2SH Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates
C52 0.33 0.50 252.14 C10H16N6O2 10:6:0 0.60 [4-methoxy-6-(1-piperidinyl)-1H-1,3,5-triazin-2-ylidene]-nitrosomethanamine Organoheterocyclic compounds Triazines Aminotriazines
C66 0.59 0.36 300.12 C12H20N4O3S 12:4:0 0.00 desmethylranitidine Organic nitrogen compounds Organonitrogen compounds Amines
C67 0.49 0.42 298.10 C12H18N4O3S 12:4:0 0.17 1-(1-azepanyl)-2-[(5-methyl-4-nitro-1H-pyrazol-3-yl)thio]ethanone Organosulfur compounds Thioethers Aryl thioethers
C95 0.65 −0.14 394.13 C15H18N6O7 15:6:0 0.93 cyclic N(6)-threonylcarbamoyladenosine Nucleosides, nucleotides, and analogues Purine nucleosides Purine nucleosides
C101 0.41 0.10 300.12 C12H20N4O3S 12:4:0 0.00 desmethylranitidine Organic nitrogen compounds Organonitrogen compounds Amines
C142 0.13 0.84 194.09 C11H14O3 11:0:0 −0.73 Butylparaben Benzenoids Benzene and substituted derivatives Benzoic acids and derivatives
C143 −0.07 0.47 254.11 C12H18N2O2S 12:2:0 −0.50 Thiamylal Organoheterocyclic compounds Diazines Pyrimidines and pyrimidine derivatives
C144 0.76 0.26 340.12 C15H20N2O5S 15:2:0 −0.13 4-[[(1-methylsulfonyl-4-piperidinyl)-oxomethyl]amino]benzoic acid methyl ester Benzenoids Benzene and substituted derivatives Benzoic acids and derivatives
C145 0.45 0.33 296.09 C10H20N2O4S2 10:2:0 −0.20 D-penicillamine disulfide Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues
C157 −0.36 0.29 226.12 C10H18N4S 10:4:0 −0.40 4-Methylburimamide Organoheterocyclic compounds Azoles Imidazoles
C163 −0.14 0.25 300.12 C12H20N4O3S 12:4:0 0.00 desmethylranitidine Organic nitrogen compounds Organonitrogen compounds Amines
C193 0.39 0.65 226.12 C10H18N4S 10:4:0 −0.40 4-Methylburimamide Organoheterocyclic compounds Azoles Imidazoles
C201 0.65 0.25 310.14 C11H22N2O8 11:2:0 0.00 mannopine Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues
C223 0.73 −0.31 468.16 C22H24N6O4S 22:6:0 0.18 2-amino-N-(3-ethoxypropyl)-1-(4-sulfamoylphenyl)-3-pyrrolo[3,2-b]quinoxalinecarboxamide Organoheterocyclic compounds Pyrroles Substituted pyrroles
C224 0.41 −0.21 392.15 C19H24N2O5S 19:2:0 −0.32 1-(3,4-dimethoxyphenyl)sulfonyl-4-(2-methoxyphenyl)piperazine Organoheterocyclic compounds Diazinanes Piperazines