{ "genes-content-type": "gene-list", "binarization-method": "gaussian", "binarization-info": { "method": "gaussian", "success": true, "means": [ 1.184452574867601, 0.9283637848670536 ], "weights": [ 0.30585178442472527, 0.6941482155752747 ], "covariances": [ 0.01293787373814946, 0.01293787373814946 ] }, "info": { "HMDB_id": "HMDB0013713 / HMDB0002035 / HMDB0141767 / HMDB0030572 / HMDB0002641 / HMDB0031313 / HMDB0134029 / HMDB0134030 / HMDB0134031 / HMDB0134028 / HMDB0125104 / HMDB0141768 / HMDB0128076 / HMDB0061679 / HMDB0059765 / HMDB0126545 / HMDB0002035 / HMDB0129375 / HMDB0004096 / HMDB0004259 / HMDB0014386 / HMDB0011621 / HMDB0062655 / HMDB0030677 / HMDB0041592 / HMDB0060810 / HMDB0039274 / HMDB0061136 / HMDB0030179 / HMDB0012225 / HMDB0000068 / HMDB0030838 / HMDB0030195 / HMDB0029455 / HMDB0061146 / HMDB0000671 / HMDB0015652 / HMDB0001713 / HMDB0032755 / HMDB0062605 / HMDB0002832 / HMDB0014987 / HMDB0062645 / HMDB0013713 / HMDB0030269 / HMDB0000819 / HMDB0062515 / HMDB0039356 / HMDB0006344 / HMDB0000205 / HMDB0037614 / HMDB0029073 / HMDB0062774 / HMDB0029115", "names": "N-acetyltryptophan / 4-Hydroxycinnamic acid", "Compound_match_adduct": "M+H / M+2ACN+H", "match_ppm_diff": "-3.00838338 / -4.484866637", "match_RT_diff": "2.273333333 / 5.5448", "Query": "HMDB0013713 / HMDB0002035", "Match": "N-acetyltryptophan / 4-Hydroxycinnamic acid", "PubChem": "700653 / 637542", "ChEBI": "74640 / 32374", "KEGG": "nan / C00811", "METLIN": "nan / 6450.0", "SMILES": "CC(=O)N[C@@H](CC1=CNC2=C1C=CC=C2)C(O)=O / OC(=O)\\C=C\\C1=CC=C(O)C=C1", "CAS#": "1218-34-4 / 501-98-4", "Compound_RT_mz": "6.60_247.1070m/z / 6.60_247.1070m/z / 6.60_247.1070m/z / 6.60_247.1070m/z / 6.60_247.1070m/z / 6.60_247.1070m/z / 6.60_247.1070m/z / 6.60_247.1070m/z / 6.60_247.1070m/z / 6.60_247.1070m/z / 6.60_247.1070m/z / 6.60_247.1070m/z / 6.60_247.1070m/z / 6.60_247.1070m/z / 6.60_247.1070m/z / 6.60_247.1070m/z / 6.60_247.1070m/z / 6.60_247.1070m/z / 6.60_247.1070m/z / 6.60_247.1070m/z / 6.60_247.1070m/z / 6.60_247.1070m/z / 6.60_247.1070m/z / 6.60_247.1070m/z / 6.60_247.1070m/z / 6.60_247.1070m/z / 6.60_247.1070m/z / 6.60_247.1070m/z / 6.60_247.1070m/z / 6.60_247.1070m/z / 6.60_247.1070m/z / 6.60_247.1070m/z / 6.60_247.1070m/z / 6.60_247.1070m/z / 6.60_247.1070m/z / 6.60_247.1070m/z / 6.60_247.1070m/z / 6.60_247.1070m/z / 6.60_247.1070m/z / 6.60_247.1070m/z / 6.60_247.1070m/z / 6.60_247.1070m/z / 6.60_247.1070m/z / 6.60_247.1070m/z / 6.60_247.1070m/z / 6.60_247.1070m/z / 6.60_247.1070m/z / 6.60_247.1070m/z / 6.60_247.1070m/z / 6.60_247.1070m/z / 6.60_247.1070m/z / 6.60_247.1070m/z", "Retention time (min)": "6.59655 / 6.59655 / 6.59655 / 6.59655 / 6.59655 / 6.59655 / 6.59655 / 6.59655 / 6.59655 / 6.59655 / 6.59655 / 6.59655 / 6.59655 / 6.59655 / 6.59655 / 6.59655 / 6.59655 / 6.59655 / 6.59655 / 6.59655 / 6.59655 / 6.59655 / 6.59655 / 6.59655 / 6.59655 / 6.59655 / 6.59655 / 6.59655 / 6.59655 / 6.59655 / 6.59655 / 6.59655 / 6.59655 / 6.59655 / 6.59655 / 6.59655 / 6.59655 / 6.59655 / 6.59655 / 6.59655 / 6.59655 / 6.59655 / 6.59655 / 6.59655 / 6.59655 / 6.59655 / 6.59655 / 6.59655 / 6.59655 / 6.59655 / 6.59655 / 6.59655", "m/z": "247.1069784 / 247.1069784 / 247.1069784 / 247.1069784 / 247.1069784 / 247.1069784 / 247.1069784 / 247.1069784 / 247.1069784 / 247.1069784 / 247.1069784 / 247.1069784 / 247.1069784 / 247.1069784 / 247.1069784 / 247.1069784 / 247.1069784 / 247.1069784 / 247.1069784 / 247.1069784 / 247.1069784 / 247.1069784 / 247.1069784 / 247.1069784 / 247.1069784 / 247.1069784 / 247.1069784 / 247.1069784 / 247.1069784 / 247.1069784 / 247.1069784 / 247.1069784 / 247.1069784 / 247.1069784 / 247.1069784 / 247.1069784 / 247.1069784 / 247.1069784 / 247.1069784 / 247.1069784 / 247.1069784 / 247.1069784 / 247.1069784 / 247.1069784 / 247.1069784 / 247.1069784 / 247.1069784 / 247.1069784 / 247.1069784 / 247.1069784 / 247.1069784 / 247.1069784", "Neutral mass (Da)": "nan / nan / nan / nan / nan / nan / nan / nan / nan / nan / nan / nan / nan / nan / nan / nan / nan / nan / nan / nan / nan / nan / nan / nan / nan / nan / nan / nan / nan / nan / nan / nan / nan / nan / nan / nan / nan / nan / nan / nan / nan / nan / nan / nan / nan / nan / nan / nan / nan / nan / nan / nan", "Charge": "1 / 1 / 1 / 1 / 1 / 1 / 1 / 1 / 1 / 1 / 1 / 1 / 1 / 1 / 1 / 1 / 1 / 1 / 1 / 1 / 1 / 1 / 1 / 1 / 1 / 1 / 1 / 1 / 1 / 1 / 1 / 1 / 1 / 1 / 1 / 1 / 1 / 1 / 1 / 1 / 1 / 1 / 1 / 1 / 1 / 1 / 1 / 1 / 1 / 1 / 1 / 1", "Adducts": "M+2ACN+H / M+2Na-H / M+2ACN+H / M+2Na-H / M+2ACN+H / M+2ACN+H / M+2ACN+H / M+2ACN+H / M+2ACN+H / M+2ACN+H / M+2ACN+H / M+ACN+Na / M+ACN+H / M+2ACN+H / M+2ACN+H / M+2ACN+H / M+ACN+H / M+H-H2O / M+Na / M+ACN+H / M+2ACN+H / M+2ACN+H / M+2ACN+H / M+H / M+2Na-H / M+H-H2O / M+ACN+H / M+2ACN+H / M+ACN+Na / M+2Na-H / M+NH4 / M+ACN+Na / M+H-2H2O / M+ACN+H / M+ACN+Na / M+2ACN+H / M+ACN+H / M+2ACN+H / M+ACN+Na / M+H / M+H-H2O / M+H / M+H / M+ACN+Na / M+ACN+Na / M+2Na-H / M+H-H2O / M+2ACN+H / M+NH4 / M+H-2H2O / M+2ACN+H / M+H-2H2O", "Formula": "C9H8O3 / C14H18O / C9H8O3 / C14H18O / C9H8O3 / C9H8O3 / C9H8O3 / C9H8O3 / C9H8O3 / C9H8O3 / C9H8O3 / C9H13NO3 / C11H11NO3 / C9H8O3 / C9H8O3 / C9H8O3 / C11H11NO3 / C13H16N2O4 / C11H16N2O3 / C11H11NO3 / C9H8O3 / C9H8O3 / C9H8O3 / C13H14N2O3 / C14H18O / C13H16N2O4 / C11H11NO3 / C9H8O3 / C9H13NO3 / C14H18O / C13H11NO3 / C9H13NO3 / C13H18N2O5 / C11H11NO3 / C9H13NO3 / C9H8O3 / C11H11NO3 / C9H8O3 / C9H13NO3 / C13H14N2O3 / C13H16N2O4 / C13H14N2O3 / C13H14N2O3 / C9H13NO3 / C9H13NO3 / C14H18O / C13H16N2O4 / C9H8O3 / C13H11NO3 / C13H18N2O5 / C9H8O3 / C13H18N2O5", "Score": "37.8 / 39.7 / 37.8 / 39.7 / 37.8 / 37.8 / 37.8 / 37.8 / 37.8 / 37.8 / 37.8 / 36.9 / 38.4 / 37.8 / 37.8 / 37.8 / 38.4 / 38.9 / 37.6 / 38.4 / 37.8 / 37.8 / 37.8 / 38.9 / 39.7 / 38.9 / 38.4 / 37.8 / 36.9 / 39.7 / 38.8 / 36.9 / 38.9 / 38.4 / 36.9 / 37.8 / 38.4 / 37.8 / 36.9 / 38.9 / 38.9 / 38.9 / 38.9 / 36.9 / 36.9 / 39.7 / 38.9 / 37.8 / 38.8 / 38.9 / 37.8 / 38.9", "Mass Error (ppm)": "-4.484866637 / 0.238740331 / -4.484866637 / 0.238740331 / -4.484866637 / -4.484866637 / -4.484866637 / -4.484866637 / -4.484866637 / -4.484866637 / -4.484866637 / 9.09568269 / -3.610218049 / -4.484866637 / -4.484866637 / -4.484866637 / -3.610218048 / -2.803238642 / 7.430628304 / -3.610218048 / -4.484866637 / -4.484866637 / -4.484866637 / -3.00838338 / 0.238740331 / -2.803238642 / -3.610218049 / -4.484866637 / 9.09568269 / 0.238740331 / -3.231976635 / 9.09568269 / -2.624258316 / -3.610218048 / 9.09568269 / -4.484866637 / -3.610218049 / -4.484866637 / 9.09568269 / -3.00838338 / -2.803238642 / -3.00838338 / -3.00838338 / 9.09568269 / 9.09568269 / 0.238740331 / -2.803238642 / -4.484866637 / -3.231976635 / -2.624258316 / -4.484866637 / -2.624258316", "Isotope Similarity": "94.2796877 / 98.73923126 / 94.2796877 / 98.73923126 / 94.2796877 / 94.2796877 / 94.2796877 / 94.2796877 / 94.2796877 / 94.2796877 / 94.2796877 / 94.60800992 / 96.16666453 / 94.2796877 / 94.2796877 / 94.2796877 / 96.16666453 / 97.88718844 / 96.47964336 / 96.16666453 / 94.2796877 / 94.2796877 / 94.2796877 / 98.04092906 / 98.73923126 / 97.88718844 / 96.16666453 / 94.2796877 / 94.60800992 / 98.73923126 / 97.7546023 / 94.60800992 / 97.73384771 / 96.16666453 / 94.60800992 / 94.2796877 / 96.16666453 / 94.2796877 / 94.60800992 / 98.04092906 / 97.88718844 / 98.04092906 / 98.04092906 / 94.60800992 / 94.60800992 / 98.73923126 / 97.88718844 / 94.2796877 / 97.7546023 / 97.73384771 / 94.2796877 / 97.73384771", "Description": "(2E)-3-(3,4-dihydroxyphenyl)prop-2-enal / (\u00b1)-Anisoxide / 2-Hydroxycinnamic acid / 2-Pentyl-3-phenyl-2-propenal / 3-(2,3-dihydroxyphenyl)prop-2-enal / 3-(2,5-dihydroxyphenyl)prop-2-enal / 3-(2-hydroxyphenyl)oxirane-2-carbaldehyde / 3-(2-hydroxyphenyl)prop-2-enoic acid / 3-(3-hydroxyphenyl)prop-2-enoic acid / 3-(4-hydroxyphenyl)oxirane-2-carbaldehyde / 3-(4-hydroxyphenyl)prop-2-enoic acid / 3,4,5,6-Tetrahydrohippuric acid / 3-Indolehydracrylic acid / 3-phenyloxirane-2-carboxylic acid / 4-Hydroxycinnamic acid / 4-methoxy-1-benzofuran-6-ol / 5-Methoxyindoleacetate / Acetyl-N-formyl-5-methoxykynurenamine / Butalbital / Cinnamoylglycine / Cis-2-coumarate / cis-p-Coumaric acid / Coumaric acid / cyclic 6-Hydroxymelatonin / Dictagymnin / di-Hydroxymelatonin / Edulitine / Enol-phenylpyruvate / Epinephrine / Feniculin / gamma-Fagarine / Ginkgotoxin / Hydroxy-lacosamide / Indolelactic acid / Levonordefrin / m-Coumaric acid / Methyl 1-methoxy-1H-indole-3-carboxylate / Methyl Phenylglyoxalate / Methylnoradrenaline / Methylphenobarbital / N(2)-phenylacetyl-L-glutaminate / N-acetyltryptophan / Nigellicine / Normetanephrine / Oxidized-adrenal-ferredoxin / Panaquinquecol 5 / Phenylacetylglutamine / Phenylpyruvic acid / Pteleine / Threoninyl-Tyrosine / Trans-3-coumarate / Tyrosyl-Threonine" } }