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["Supplementary Table 1 Metabolites identified by LC-ESI-MS/MS and annotated"]
["Index","Molecular Weight (Da)","Ion mode","Compounds","Class","KEGG ID"]
["Pas279",292.162,"Positive","N-Caffeoyl agmatine","Phenolamides","-"]
["Pas420",497.261,"Positive","N', N''-Diferuloylspermidine","Phenolamides","-"]
["Pas1",478,"Positive","methylQuercetin O-hexoside","Flavonol","-"]
["Pas422",478.118,"Positive","Selgin 5-O-hexoside","Flavone","-"]
["Pas624",476.14,"Positive","O-methylChrysoeriol 5-O-hexoside","Flavone","-"]
["Pas3",276.216,"Positive","14,15-Dehydrocrepenynic acid","Lipids_Fatty acids","-"]
["Pas185",307.196,"Positive","N-Caffeoylspermidine","Phenolamides","-"]
["Pas358",152.047,"Positive","o-Anisic acid","Organic acids","Thanoll"]
["Pas431",557.282,"Positive","N', N''-disinapoylspermidine","Phenolamides","-"]
["Pas566",550,"Positive","Tricetin O-malonylhexoside","Flavone","-"]
["Pas166",137.091,"Positive","Hydroxyphenethylamine","Others","-"]
["Pas492",300.1,"Positive","Kaempferide","Flavonol","C10098"]
["Pas232",285,"Positive","Nicotinic acid-hexoside","Nicotinic acid derivatives","-"]
["Pas298",166.1,"Positive","Dihydrojasmone","Others","-"]
["Pas313",280,"Positive","Feruloylcholine","Cholines","-"]
["Pas4",141.1,"Positive","Histidinol","Others","C00860"]
["Pas126",255.2,"Positive","Nicotinate ribonucleoside","Nicotinic acid derivatives","C05841"]
["Pas763",294.2,"Positive","9-Hydroxy-(10E,12Z,15Z)-octadecatrienoic acid","Lipids_Fatty acids","-"]
["Pas5",131.1,"Positive","5-Aminolevulinate","Organic acids","C00430"]
["Pas403",368.1,"Positive","1-O-Feruloyl quinic acid","Quinate and its derivatives","-"]
["Pas605",416.2,"Positive","Chrysin O-hexoside","Flavone","-"]
["Pas6",258.2,"Positive","sn-Glycero-3-phosphocholine","Cholines","C00670"]
["Pas819",146.06,"Negative","Methylglutaric acid","Organic acids","-"]
["Pas476",670.1,"Positive","3',4',5'-Dihydrotricetin O-hexosyl-O-hexoside","Flavone","-"]
["Pas408",448.1,"Positive","Luteolin 6-C-glucoside","Flavone C-glycosides","-"]
["Pas407",508.3,"Positive","Limocitrin O-hexoside","Flavone","-"]
["Pas1330",314.08,"Negative","Velutin","Flavone","-"]
["Pas1077",342,"Negative","Caffeic acid O-glucoside","Hydroxycinnamoyl derivatives","-"]
["Pas534",346,"Positive","Spinacetin","Flavone","-"]
["Pas367",206.1,"Positive","6-Hydroxymethylherniarin","Hydroxycinnamoyl derivatives","-"]
["Pas1220",406.13,"Negative","E-3,4,5'-Trihydroxy-3'-glucopyranosylstilbene","Others","-"]
["Pas625",476.2,"Positive","O-methylChrysoeriol 7-O-hexoside","Flavone","-"]
["Pas7",478.2,"Positive","Isorhamnetin O-hexoside","Flavonol","-"]
["Pas251",121,"Positive","Benzamide","Others","C09815"]
["Pas304",161,"Positive","Indole carboxylic acid","Phytohormones","C19837"]
["Pas575",212.3,"Positive","delta-Tridecalactone","Lipids_Fatty acids","-"]
["Pas721",695.4,"Positive","DGMG (18:2) isomer2","Lipids_Glycerolipids","-"]
["Pas722",352.3,"Positive","MAG (18:3) isomer5","Lipids_Glycerolipids","-"]
["Pas732",695.4,"Positive","DGMG (18:2) isomer1","Lipids_Glycerolipids","-"]
["Pas738",695.4,"Positive","DGMG (18:2) isomer3","Lipids_Glycerolipids","-"]
["Pas744",354.1,"Positive","MAG (18:2) isomer1","Lipids_Glycerolipids","-"]
["Pas745",493.3,"Positive","LysoPC 16:1","Lipids_Glycerophospholipids","-"]
["Pas158",297.1,"Positive","N2-methylguanosine","Nucleotide and its derivates","-"]
["Pas164",152,"Positive","Xanthine","Nucleotide and its derivates","C00385"]
["Pas212",347.1,"Positive","Kinetin 9-riboside","Phytohormones","-"]
["Pas365",136.3,"Positive","p-Aminobenzoate","Benzoic acid derivatives","C00568"]
["Pas725",386.1,"Positive","Cholesterol","Others","C00187"]
["Pas752",356.2,"Positive","MAG (18:1) isomer2","Lipids_Glycerolipids","-"]
["Pas434",175.1,"Positive","5-methoxyindole-3-carbaldehyde","Indole derivatives","-"]
["Pas8",135.1,"Positive","Aminopurine","Others","-"]
["Pas481",338.1,"Positive","O-Feruloyl 4-hydroxylcoumarin","Coumarins","-"]
["Pas270",335.1,"Positive","L-Cysteine D-γ-glutamyl-2-(trimethylammonio)ethyl ester","Amino acid derivatives","-"]
["Pas366",194.1,"Positive","Hydroxy-methoxycinnamate","Hydroxycinnamoyl derivatives","-"]
["Pas465",218.1,"Positive","5-Methoxy-N,N-dimethyltryptamine","Tryptamine derivatives","C08309"]
["Pas127",161.1,"Positive","2-Aminoadipic acid (L-Homoglutamic acid)","Amino acids","C00956"]
["Pas9",457.1,"Positive","Aspartic acid di-O-glucoside","Amino acid derivatives","-"]
["Pas321",670.2,"Positive","Gallic acid O-feruloyl-O-hexosyl-O-hexoside","Hydroxycinnamoyl derivatives","-"]
["Pas227",454.1,"Positive","Coumarin O-rutinoside","Hydroxycinnamoyl derivatives","-"]
["Pas10",103.1,"Positive","Choline","Cholines","C00114"]
["Pas216",396.1,"Positive","N-hexosyl-p-coumaroyl putrescine","Phenolamides","-"]
["Pas275",583.2,"Positive","N',N\",N\"'-p-coumaroyl-cinnamoyl-caffeoyl spermidine","Phenolamides","-"]
["Pas303",306.2,"Positive","N-Feruloyl agmatine","Phenolamides","C18325"]
["Pas11",347.1,"Positive","Adenosine 3'-monophosphate","Nucleotide and its derivates","C01367"]
["Pas159",663.2,"Positive","Nicotinic acid adenine dinucleotide","Nucleotide and its derivates","C00003"]
["Pas383",477.1,"Positive","Rosinidin O-hexoside","Anthocyanins","-"]
["Pas284",449.1,"Positive","Cyanidin 3-O-glucoside (Kuromanin)","Anthocyanins","C08604"]
["Pas494",301.1,"Positive","Peonidin","Anthocyanins","C08726"]
["Pas502",508.2,"Positive","Syringetin 5-O-hexoside","Flavone","-"]
["Pas554",518,"Positive","Apigenin O-malonylhexoside","Flavone","-"]
["Pas604",416.1,"Positive","Chrysin 5-O-glucoside (Toringin)","Flavone","-"]
["Pas12",478.2,"Positive","Isorhamnetin 5-O-hexoside","Flavonol","-"]
["Pas13",608.4,"Positive","Chrysoeriol 7-O-rutinoside","Flavone","-"]
["Pas511",594.1,"Positive","Chrysoeriol O-hexosyl-O-pentoside","Flavone","-"]
["Pas517",508.3,"Positive","Syringetin 7-O-hexoside","Flavone","-"]
["Pas519",624.1,"Positive","Chrysoeriol O-hexosyl-O-hexoside","Flavone","-"]
["Pas15",432.1,"Positive","Apigenin 7-O-glucoside (Cosmosiin)","Flavone","C04608"]
["Pas16",462.2,"Positive","Chrysoeriol 7-O-hexoside","Flavone","-"]
["Pas567",548.1,"Positive","Chrysoeriol O-malonylhexoside","Flavone","-"]
["Pas294",788.1,"Positive","Hesperetin C-hexosyl-O-hexosyl-O-hexoside","Flavone C-glycosides","-"]
["Pas312",626.1,"Positive","8-C-hexosyl-hesperetin O-hexoside","Flavone C-glycosides","-"]
["Pas286",774.1,"Positive","Eriodictiol 6-C-hexoside 8-C-hexoside-O-hexoside","Flavone C-glycosides","-"]
["Pas314",786.1,"Positive","Chrysoeriol 6-C-hexoside 8-C-hexoside-O-hexoside","Flavone C-glycosides","-"]
["Pas332",640.1,"Positive","C-hexosyl-isorhamnetin O-hexoside","Flavone C-glycosides","-"]
["Pas350",610.1,"Positive","6-C-hexosyl-luteolin O-hexoside","Flavone C-glycosides","-"]
["Pas347",612.1,"Positive","Eriodictiol C-hexosyl-O-hexoside","Flavone C-glycosides","-"]
["Pas351",756.2,"Positive","8-C-hexosyl-apigenin O-hexosyl-O-hexoside","Flavone C-glycosides","-"]
["Pas392",626.1,"Positive","6-C-hexosyl-hesperetin O-hexoside","Flavone C-glycosides","-"]
["Pas334",712.1,"Positive","Quercetin 5-O-malonylhexosyl-hexoside","Flavonol","-"]
["Pas436",610.2,"Positive","Quercetin 7-O-rutinoside","Flavonol","-"]
["Pas518",654.2,"Positive","Tricin di-O-hexoside","Flavone","-"]
["Pas506",638.1,"Positive","Tricin 5-O-rutinoside","Flavone","-"]
["Pas468",484.1,"Positive","N-hexosyl-p-coumaroyl serotonin","Tryptamine derivatives","-"]
["Pas165",85.1,"Positive","Piperidine","Alkaloids","C01746"]
["Pas577",129.1,"Positive","Isoquinoline","Alkaloids","C06323"]
["Pas74",179,"Positive","Glucosamine","Carbohydrates","C00329"]
["Pas17",331.1,"Positive","Pyridoxine O-glucoside","Vitamins","-"]
["Pas200",122.1,"Positive","Niacinamide","Vitamins","C00153"]
["Pas18",219.2,"Positive","D-Pantothenic acid","Vitamins","C00864"]
["Pas319",126.1,"Positive","Imidazole-4-acetate","Indole derivatives","C02835"]
["Pas273",205.1,"Positive","Methoxyindoleacetic acid","Indole derivatives","C05660"]
["Pas281",536.1,"Positive","Syringic acid O-feruloyl-O-hexoside","Benzoic acid derivatives","-"]
["Pas257",610.2,"Positive","Gallocatechin-gallocatechin","Catechin derivatives","-"]
["Pas731",493.3,"Positive","LysoPC 16:1 (2n isomer)","Lipids_Glycerophospholipids","-"]
["Pas743",519.3,"Positive","LysoPC 18:2","Lipids_Glycerophospholipids","-"]
["Pas751",517.3,"Positive","LysoPC 18:3","Lipids_Glycerophospholipids","-"]
["Pas19",495.3,"Positive","LysoPC 16:0","Lipids_Glycerophospholipids","-"]
["Pas756",521.4,"Positive","LysoPC 18:1 (2n isomer)","Lipids_Glycerophospholipids","-"]
["Pas714",491.3,"Positive","LysoPC 16:2 (2n isomer)","Lipids_Glycerophospholipids","-"]
["Pas726",425.3,"Positive","LysoPE 14:0","Lipids_Glycerophospholipids","-"]
["Pas20",517.2,"Positive","LysoPC 18:3 (2n isomer)","Lipids_Glycerophospholipids","-"]
["Pas729",467.1,"Positive","LysoPC 14:0","Lipids_Glycerophospholipids","-"]
["Pas736",519,"Positive","LysoPC 18:2 (2n isomer)","Lipids_Glycerophospholipids","-"]
["Pas740",477.6,"Positive","LysoPE 18:2 (2n isomer)","Lipids_Glycerophospholipids","-"]
["Pas761",521.1,"Positive","LysoPC 18:1","Lipids_Glycerophospholipids","-"]
["Pas768",481.1,"Positive","LysoPE 18:0","Lipids_Glycerophospholipids","-"]
["Pas690",290,"Positive","4-oxo-9Z,11Z,13E,15E-octadecatetraenoic acid","Lipids_Fatty acids","-"]
["Pas21",278.3,"Positive","Punicic acid","Lipids_Fatty acids","C08364"]
["Pas22",354.1,"Positive","MAG (18:2)","Lipids_Glycerolipids","-"]
["Pas23",381.2,"Positive","trans-zeatin N-glucoside","Phytohormones","-"]
["Pas130",365.2,"Positive","iP7G","Nucleotide and its derivates","-"]
["Pas162",363.1,"Positive","Guanosine 5'-monophosphate","Nucleotide and its derivates","C00144"]
["Pas272",117,"Positive","Indole","Indole derivatives","C00463"]
["Pas369",338.1,"Positive","O-Feruloyl 2-hydroxylcoumarin","Coumarins","-"]
["Pas393",338.1,"Positive","O-Feruloyl 3-hydroxylcoumarin","Coumarins","-"]
["Pas457",502.2,"Positive","Phellodensin F","Others","-"]
["Pas520",447.1,"Positive","L-Glutaminyl-L-valyl-L-valyl-L-cysteine","Amino acid derivatives","-"]
["Pas730",350,"Positive","MAG (18:4) isomer3","Lipids_Glycerolipids","-"]
["Pas25",276.2,"Positive","Octadecadien-6-ynoic acid","Lipids_Fatty acids","-"]
["Pas747",352.3,"Positive","MAG (18:3) isomer3","Lipids_Glycerolipids","-"]
["Pas762",533.4,"Positive","MGMG (18:2) isomer1","Lipids_Glycerolipids","-"]
["Pas26",278.2,"Positive","Octadeca-11E,13E,15Z-trienoic acid","Lipids_Fatty acids","-"]
["Pas766",148,"Positive","Phthalic anhydride","Others","-"]
["Pas770",352.1,"Positive","MAG (18:3) isomer4","Lipids_Glycerolipids","-"]
["Pas27",473.2,"Positive","10-Formyl-THF","Others","C00234"]
["Pas685",342.1,"Positive","Cocamidopropyl betaine","Others","-"]
["Pas697",317.3,"Positive","4-Hydroxysphinganine","Lipids_Fatty acids","C12144"]
["Pas723",693.1,"Positive","DGMG (18:1)","Lipids_Glycerolipids","-"]
["Pas728",479.1,"Positive","LysoPC 15:1","Lipids_Glycerophospholipids","-"]
["Pas737",481.3,"Positive","LysoPC 15:0","Lipids_Glycerophospholipids","-"]
["Pas742",352.1,"Positive","MAG (18:3) isomer2","Lipids_Glycerolipids","-"]
["Pas749",356.2,"Positive","MAG (18:1) isomer1","Lipids_Glycerolipids","-"]
["Pas760",533.1,"Positive","MGMG (18:2) isomer2","Lipids_Glycerolipids","-"]
["Pas755",523.1,"Positive","LysoPC 18:0 (2n isomer)","Lipids_Glycerophospholipids","-"]
["Pas765",509.1,"Positive","LysoPC 17:0","Lipids_Glycerophospholipids","-"]
["Pas28",352.2,"Positive","MAG (18:3) isomer1","Lipids_Glycerolipids","-"]
["Pas806",198,"Negative","4-Hydroxy-3-methoxymandelate","Organic acids","C05584"]
["Pas1016",346.1,"Negative","Syringaldehyde O-glucoside","Others","-"]
["Pas1020",191.1,"Negative","N-Acetylmethionine","Amino acid derivatives","C02712"]
["Pas1154",246,"Negative","Acetyl tryptophan","Amino acid derivatives","C03137"]
["Pas1272",208.1,"Negative","3,4-Dimethoxycinnamic acid","Hydroxycinnamoyl derivatives","-"]
["Pas1323",336.1,"Negative","8,15-DiHETE","Lipids_Fatty acids","-"]
["Pas1351",200,"Negative","Lauric acid (C12:0)","Lipids_Fatty acids","C02679"]
["Pas809",264.1,"Negative","Thiamine","Vitamins","C00378"]
["Pas825",650.1,"Negative","D(+)-Melezitose O-rhamnoside","Carbohydrates","-"]
["Pas826",461.1,"Negative","Anthranilate O-hexosyl-O-hexoside","Benzoic acid derivatives","-"]
["Pas801",290.1,"Negative","Argininosuccinate","Organic acids","C03406"]
["Pas974",329.1,"Negative","Cyclic AMP","Nucleotide and its derivates","C00575"]
["Pas975",214.1,"Negative","2-Deoxyribose 5'-phosphate","Carbohydrates","C00673"]
["Pas777",296,"Negative","9,10-EODE","Lipids_Fatty acids","-"]
["Pas1343",294,"Negative","9-HOTrE","Lipids_Fatty acids","-"]
["Pas1349",294.2,"Negative","9-KODE","Lipids_Fatty acids","-"]
["Pas1339",310,"Negative","13-HpOTrE(r)","Lipids_Fatty acids","-"]
["Pas1335",310.1,"Negative","9-HpOTrE","Lipids_Fatty acids","-"]
["Pas1338",294,"Negative","13-HOTrE(r)","Lipids_Fatty acids","-"]
["Pas1270",178,"Negative","4-Methoxycinnamic acid","Hydroxycinnamoyl derivatives","-"]
["Pas1353",296,"Negative","12,13-EODE","Lipids_Fatty acids","-"]
["Pas1340",312.1,"Negative","13-HPODE","Lipids_Fatty acids","C04717"]
["Pas1007",666.1,"Negative","O-Caffeoyl maltotriose","Hydroxycinnamoyl derivatives","-"]
["Pas869",148,"Negative","Citramalate","Organic acids","C00815"]
["Pas1034",316.1,"Negative","Protocatechuic acid O-glucoside","Catechin derivatives","-"]
["Pas1226",348.1,"Negative","Camptothecin","Alkaloids","C01897"]
["Pas820",308,"Negative","L-Glutamine O-hexside","Amino acid derivatives","-"]
["Pas814",309.1,"Negative","L-Glutamic acid O-glucoside","Amino acid derivatives","-"]
["Pas841",666.1,"Negative","Maltotetraose","Carbohydrates","C02052"]
["Pas971",351.1,"Negative","Kynurenic acid O-hexside","Organic acids","-"]
["Pas979",316.1,"Negative","2,5-dihydroxy benzoic acid O-hexside","Benzoic acid derivatives","-"]
["Pas1130",215.1,"Negative","3-(2-Naphthyl)-D-alanine","Amino acid derivatives","-"]
["Pas890",566.1,"Negative","Uridine 5'-diphospho-D-glucose","Nucleotide and its derivates","C00029"]
["Pas778",332,"Negative","Gallic acid O-Hexoside","Benzoic acid derivatives","-"]
["Pas1003",312.1,"Negative","Caftaric acid","Hydroxycinnamoyl derivatives","-"]
["Pas1071",354.1,"Negative","4-O-Caffeoyl quinic acid (criptochlorogenic acid)","Quinate and its derivatives","-"]
["Pas1035",772.1,"Negative","Luteolin O-hexosyl-O-hexosyl-O-hexoside","Flavone","-"]
["Pas1030",466.1,"Negative","Cyanidin O-syringic acid","Anthocyanins","-"]
["Pas1005",624.1,"Negative","Chrysoeriol C-hexosyl-O-hexoside","Flavone C-glycosides","-"]
["Pas1124",756.1,"Negative","Chrysoeriol C-pentosyl-O-hexosyl-O-hexoside","Flavone C-glycosides","-"]
["Pas1168",564.1,"Negative","Apigenin O-hexosyl-O-pentoside","Flavone","-"]
["Pas1177",550.2,"Negative","Hesperetin O-malonylhexoside","Flavanone","-"]
["Pas1029",710.1,"Negative","Chrysoeriol O-hexosyl-O-malonylhexoside","Flavone","-"]
["Pas1139",490.1,"Negative","Velutin O-glucuronic acid","Flavone","-"]
["Pas1147",462.1,"Negative","Chrysoeriol 5-O-hexoside","Flavone","-"]
["Pas1223",642.1,"Negative","Luteolin O-eudesmic acid-O-hexoside","Flavone","-"]
["Pas1099",450.1,"Negative","Eriodictyol C-hexoside","Flavone C-glycosides","-"]
["Pas1101",448.1,"Negative","Luteolin C-hexoside","Flavone C-glycosides","-"]
["Pas1301",704.1,"Negative","Tricin O-oxalic acid O-coumaroyl shikimic acid","Flavone","-"]
["Pas1138",522.1,"Negative","Tricin O-saccharic acid","Flavone","-"]
["Pas1171",492.1,"Negative","Tricin 5-O-hexoside","Flavone","-"]
["Pas1202",492.1,"Negative","Tricin 7-O-hexoside","Flavone","-"]
["Pas1286",496.1,"Negative","Tricin 4'-O-syringyl alcohol","Flavonolignan","-"]
["Pas1302",524.1,"Negative","Tricin O-eudesmic acid","Flavone","-"]
["Pas991",544.1,"Negative","Quinic acid O-di-glucuronic acid","Quinate and its derivatives","-"]
["Pas1082",482.1,"Negative","3-O-p-coumaroyl shikimic acid O-hexoside","Quinate and its derivatives","-"]
["Pas802",422.1,"Negative","Trehalose 6-phosphate","Carbohydrates","C00689"]
["Pas962",154,"Negative","Diethyl phosphate","Organic acids","C06608"]
["Pas1056",176.1,"Negative","2-Isopropylmalate","Organic acids","C02504"]
["Pas1015",360.1,"Negative","Syringic acid O-glucoside","Benzoic acid derivatives","-"]
["Pas1097",168,"Negative","Vanillic acid","Hydroxycinnamoyl derivatives","C06672"]
["Pas1345",453,"Negative","LysoPE 16:0","Lipids_Glycerophospholipids","-"]
["Pas1348",479.1,"Negative","LysoPE 18:1","Lipids_Glycerophospholipids","-"]
["Pas1347",479.1,"Negative","LysoPE 18:1 (2n isomer)","Lipids_Glycerophospholipids","-"]
["Pas983",300.1,"Negative","Salicylic acid O-glucoside","Phytohormones","-"]
["Pas895",612.1,"Negative","Glutathione oxidized","Amino acid derivatives","C00127"]
["Pas1297",330.1,"Negative","Di-O-methylquercetin","Flavonol","-"]
["Pas1357",278.1,"Negative","α-Linolenic acid","Lipids_Fatty acids","C06427"]
["Pas83",332.052,"Positive","2'-Deoxyinosine-5'-monophosphate","Nucleotide and its derivates","C06196"]
["Pas30",166.1,"Positive","6-Methylmercaptopurine","Nucleotide and its derivates","C16614"]
["Pas233",399.2,"Positive","Adenosine O-ribose","Nucleotide and its derivates","-"]
["Pas31",383.115,"Positive","Succinyladenosine","Nucleotide and its derivates","-"]
["Pas524",132.1,"Positive","4-Aminoindole","Indole derivatives","-"]
["Pas757",543.4,"Positive","LysoPC 20:4","Lipids_Glycerophospholipids","-"]
["Pas1319",300.1,"Negative","4'-Hydroxy-5,7-dimethoxyflavanone","Flavanone","-"]
["Pas32",202,"Positive","Spermine","Phenolamides","C00750"]
["Pas977",267,"Negative","Adenosine","Nucleotide and its derivates","C00212"]
["Pas719",467.3,"Positive","LysoPC 14:0 (2n isomer)","Lipids_Glycerophospholipids","-"]
["Pas33",495.33,"Positive","LysoPC 16:0 (2n isomer)","Lipids_Glycerophospholipids","-"]
["Pas767",523.36,"Positive","LysoPC 18:0","Lipids_Glycerophospholipids","-"]
["Pas771",549.37,"Positive","LysoPC 20:1","Lipids_Glycerophospholipids","-"]
["Pas1332",425.2,"Negative","LysoPE 14:0  (2n isomer)","Lipids_Glycerophospholipids","-"]
["Pas1344",453.3,"Negative","LysoPE 16:0 (2n isomer)","Lipids_Glycerophospholipids","-"]
["Pas510",610.19,"Positive","Hesperetin 7-O-neohesperidoside (Neohesperidin)","Flavanone","C09806"]
["Pas851",189.1113,"Negative","L-Homocitrulline","Amino acids","C02427"]
["Pas194",120.0436,"Positive","Purine","Nucleotide and its derivates","C15587"]
["Pas101",175.0957,"Positive","L-Citrulline","Amino acids","C00327"]
["Pas816",105.0426,"Negative","L-Serine","Amino acids","C00065"]
["Pas779",133.0375,"Negative","L-Aspartic acid","Amino acids","C00049"]
["Pas136",147.0532,"Positive","L-Glutamic acid","Amino acids","C00025"]
["Pas106",240.024,"Positive","L-(-)-Cystine","Amino acids","C00491"]
["Pas930",131.0946,"Negative","L-Leucine","Amino acids","C00123"]
["Pas36",165.079,"Positive","L-Phenylalanine","Amino acids","C00079"]
["Pas131",119.0582,"Positive","L-Threonine","Amino acids","C00188"]
["Pas832",125.015,"Negative","2-Aminoethanesulfonic acid","Organic acids","C00245"]
["Pas37",146.1055,"Positive","L-(+)-Lysine","Amino acids","C00047"]
["Pas38",244.0695,"Positive","Uridine","Nucleotide and its derivates","C00299"]
["Pas39",181.0739,"Positive","L-(-)-Tyrosine","Amino acids","C00082"]
["Pas85",155.0695,"Positive","L-Histidine","Amino acids","C00135"]
["Pas99",111.0433,"Positive","Cytosine","Nucleotide and its derivates","C00380"]
["Pas40",117.079,"Positive","L-Valine","Amino acids","C00183"]
["Pas42",131.0946,"Positive","L-Isoleucine","Amino acids","C00407"]
["Pas43",174.1117,"Positive","L-(+)-Arginine","Amino acids","C00062"]
["Pas102",109.02,"Positive","2-Aminoethanesulfinic acid","Organic acids","C00519?"]
["Pas1027",204.0899,"Negative","L-Tryptophan","Amino acids","C00078"]
["Pas1044",146.0579,"Negative","2,3-dimethylsuccinic acid","Amino acid derivatives","-"]
["Pas177",189.0637,"Positive","N-Acetyl-L-glutamic acid","Amino acid derivatives","C00624"]
["Pas608",286.1,"Positive","Luteolin","Flavone","C01514"]
["Pas1263",492.4,"Negative","Salvianolicacid C","Others","-"]
["Pas176",211.0845,"Positive","(-)-3-(3,4-Dihydroxyphenyl)-2-methylalanine","Amino acid derivatives","C07194"]
["Pas147",250.0623,"Positive","γ-Glu-Cys","Amino acid derivatives","C00669"]
["Pas128",117.079,"Positive","5-Aminovaleric acid","Amino acid derivatives","C00431"]
["Pas143",188.1161,"Positive","N6-Acetyl-L-lysine","Amino acid derivatives","C02727"]
["Pas123",172.0848,"Positive","Glycyl-L-proline","Amino acid derivatives","-"]
["Pas833",160.0848,"Negative","D-Alanyl-D-Alanine","Amino acid derivatives","C00993"]
["Pas1024",280.1059,"Negative","Asp-phe","Amino acid derivatives","-"]
["Pas906",188.0797,"Negative","Nα-Acetyl-L-glutamine","Amino acid derivatives","-"]
["Pas668",189.079,"Positive","Methyl indole-3-acetate","Phytohormones","-"]
["Pas167",114.0429,"Positive","Dihydrouracil","Nucleotide and its derivates","C00429"]
["Pas201",128.0586,"Positive","5,6-Dihydro-5-methyluracil","Nucleotide and its derivates","C00906"]
["Pas828",119.0582,"Negative","L-Homoserine","Amino acids","C00263"]
["Pas1144",264.111,"Negative","N-γ-Acetyl-N-2-Formyl-5-methoxykynurenamine","Amino acid derivatives","C05642"]
["Pas148",216.1222,"Positive","Nα-Acetyl-L-arginine","Amino acid derivatives","-"]
["Pas187",131.0582,"Positive","N-Propionylglycine","Amino acid derivatives","-"]
["Pas798",169.0851,"Negative","1-Methylhistidine","Amino acid derivatives","C01152"]
["Pas139",151.0494,"Positive","2-Hydroxy-6-aminopurine","Nucleotide and its derivates","-"]
["Pas225",188.1161,"Positive","N-Glycyl-L-leucine","Amino acid derivatives","C02155"]
["Pas44",146.069,"Positive","L-Glutamine","Amino acids","C00064"]
["Pas645",286.048,"Positive","Kaempferol","Flavonol","C05903"]
["Pas339",290.079,"Positive","Catechin","Catechin derivatives","C06562"]
["Pas427",610.153,"Positive","Quercetin 3-O-rutinoside (Rutin)","Flavonol","C05625"]
["Pas1295",538.09,"Negative","Amentoflavone","Flavone","C10018"]
["Pas713",224.1412,"Positive","Methyl jasmonate","Phytohormones","C11512"]
["Pas821",132.054,"Negative","L-Asparagine","Amino acids","C00152"]
["Pas509",246.1,"Positive","N-(3-Indolylacetyl)-L-alanine","Amino acid derivatives","-"]
["Pas301",189.0426,"Positive","Kynurenic acid","Organic acids","C01717"]
["Pas243",112.016,"Positive","2–furanoic acid","Organic acids","-"]
["Pas780",122.0368,"Negative","Benzoic acid","Benzoic acid derivatives","C00180"]
["Pas981",132.0423,"Negative","Glutaric acid","Organic acids","C00489"]
["Pas1045",146.0579,"Negative","Adipic acid","Organic acids","C06104??"]
["Pas117",121.02,"Positive","L-Cysteine","Amino acids","C00097"]
["Pas829",131.058,"Negative","trans-4-Hydroxy-L-proline","Amino acid derivatives","C01157"]
["Pas551",188.1049,"Positive","Azelaic acid","Organic acids","C08261"]
["Pas1215",188.1049,"Negative","Azelaic Acid","Organic acids","C08261"]
["Pas1104",173.105,"Negative","N-Acetyl-l-leucine","Amino acid derivatives","C02710"]
["Pas168",112.027,"Positive","Uracil","Nucleotide and its derivates","C00106"]
["Pas219",258.085,"Positive","5-Methyluridine","Nucleotide and its derivates","-"]
["Pas235",242.09,"Positive","Thymidine","Nucleotide and its derivates","C00214"]
["Pas1249",202.1205,"Negative","Sebacate","Organic acids","C08277"]
["Pas994",132.0423,"Negative","2-Methylsuccinic acid","Organic acids","-"]
["Pas47",131.0946,"Positive","6-Aminocaproic acid","Organic acids","C02378"]
["Pas93",190.095,"Positive","2,6-Diaminooimelic acid","Amino acid derivatives","C00666"]
["Pas1076",166.0266,"Negative","Terephthalic acid","Organic acids","C06337"]
["Pas1074",166.0266,"Negative","Phthalic acid","Organic acids","C01606"]
["Pas107",145.0851,"Positive","4-Guanidinobutyric acid","Organic acids","C01035"]
["Pas620",148.0524,"Positive","Cinnamic acid","Hydroxycinnamoyl derivatives","C00423"]
["Pas1184",194.0579,"Negative","Ferulic acid","Hydroxycinnamoyl derivatives","C01494"]
["Pas781",184.0372,"Negative","Methyl gallate","Benzoic acid derivatives","-"]
["Pas1137",198.0528,"Negative","Ethyl gallate","Benzoic acid derivatives","-"]
["Pas695",254.0579,"Positive","Chrysin","Flavone","C10028"]
["Pas1174",580.1792,"Negative","Naringenin 7-O-neohesperidoside (Naringin)","Flavanone","C09789"]
["Pas48",578.1636,"Positive","Apigenin 7-O-neohesperidoside (Rhoifolin)","Flavone","C12627"]
["Pas461",432.1056,"Positive","Apigenin 5-O-glucoside","Flavone","-"]
["Pas490",434.0849,"Positive","Quercetin 3-alpha-L-arabinofuranoside (Avicularin)","Flavonol","-"]
["Pas648",300.0634,"Positive","Chrysoeriol","Flavone","C04293"]
["Pas49",578.1636,"Positive","Apigenin 7-rutinoside (Isorhoifolin)","Flavone","-"]
["Pas1146",594.1585,"Negative","Kaempferol 3-O-rutinoside (Nicotiflorin)","Flavonol","-"]
["Pas526",434.1213,"Positive","Naringenin 7-O-glucoside (Prunin)","Flavanone","C09099"]
["Pas639",272.0685,"Positive","Naringenin","Flavanone","C00509"]
["Pas642",270.0528,"Positive","Apigenin","Flavone","C01477"]
["Pas529",152.0473,"Positive","2-Methoxybenzoic acid","Hydroxycinnamoyl derivatives","-"]
["Pas872",174.0528,"Negative","Shikimic acid","Organic acids","C00493"]
["Pas1057",354.0951,"Negative","Chlorogenic acid (3-O-Caffeoylquinic acid)","Quinate and its derivatives","C00852"]
["Pas1175",152.0473,"Negative","Vanillin","Benzoic acid derivatives","C00755"]
["Pas429",166.063,"Positive","3-(4-Hydroxyphenyl)propionic acid","Hydroxycinnamoyl derivatives","C01744"]
["Pas629",274.0841,"Positive","Phloretin","Flavanone","C00774"]
["Pas1185",194.0579,"Negative","3-Hydroxy-4-methoxycinnamic acid","Hydroxycinnamoyl derivatives","-"]
["Pas1247",238.0841,"Negative","3,4,5-Trimethoxycinnamic acid","Hydroxycinnamoyl derivatives","-"]
["Pas1066",578.1424,"Negative","Procyanidin B2","Proanthocyanidins","-"]
["Pas1067",578.1424,"Negative","Procyanidin B3","Proanthocyanidins","-"]
["Pas333",303.24,"Positive","Delphinidin","Anthocyanins","C05908"]
["Pas328",493,"Positive","Malvidin 3-O-galactoside","Anthocyanins","-"]
["Pas329",493.2,"Positive","Malvidin 3-O-glucoside (Oenin)","Anthocyanins","C12140"]
["Pas1087",290.3,"Negative","L-Epicatechin","Catechin derivatives","C09727"]
["Pas354",138.0317,"Positive","4-Hydroxybenzoic acid","Organic acids","C00156"]
["Pas782",118.0266087,"Negative","Methylmalonic acid","Organic acids","C02170"]
["Pas231",136,"Positive","N-Methylnicotinamide","Nicotinic acid derivatives","-"]
["Pas50",123,"Positive","Nicotinic acid","Nicotinic acid derivatives","C00253"]
["Pas830",182.079,"Negative","D-Sorbitol","Alcohols and polyols","C00794"]
["Pas856",504.169,"Negative","D(+)-Melezitose","Carbohydrates","-"]
["Pas845",152.0685,"Negative","Xylitol","Alcohols and polyols","C00379"]
["Pas831",180.0634,"Negative","Inositol","Others","C00137"]
["Pas783",342.11621,"Negative","D-(+)-Sucrose","Carbohydrates","-"]
["Pas808",196.0583,"Negative","Gluconic acid","Carbohydrates","C00257"]
["Pas1207",161.0477,"Negative","Indole-5-carboxylic acid","Indole derivatives","-"]
["Pas170",137.084,"Positive","L-Tyramine","Amino acids","C00483"]
["Pas226",215.035,"Positive","3-Chloro-L-tyrosine","Amino acid derivatives","-"]
["Pas773",444.303,"Positive","Menaquinone (K2)","Vitamins","C00828"]
["Pas898",307.084,"Negative","Glutathione reduced form","Amino acid derivatives","C00051"]
["Pas891",135.055,"Negative","Adenine","Nucleotide and its derivates","C00147"]
["Pas51",151.049,"Positive","Guanine","Nucleotide and its derivates","C00242"]
["Pas129",268.081,"Positive","Inosine","Nucleotide and its derivates","C00294"]
["Pas784",170.022,"Negative","Gallic acid","Benzoic acid derivatives","C01424"]
["Pas52",283.092,"Positive","Guanosine","Nucleotide and its derivates","C00387"]
["Pas213",267.097,"Positive","Deoxyguanosine","Nucleotide and its derivates","C00330"]
["Pas155",227.091,"Positive","Deoxycytidine","Nucleotide and its derivates","C00881"]
["Pas53",149.051,"Positive","L-Methionine","Amino acids","C00073"]
["Pas174",123.032,"Positive","2-Picolinic acid","Organic acids","C10164"]
["Pas958",220.085,"Negative","5-Hydroxy-L-tryptophan","Amino acid derivatives","C00643"]
["Pas178",321.1,"Positive","S-(methyl)glutathione","Amino acid derivatives","C11347"]
["Pas248",205.131,"Positive","Pantothenol","Alcohols and polyols","C05944"]
["Pas190",384.122,"Positive","S-(5'-Adenosy)-L-homocysteine","Amino acid derivatives","C00021"]
["Pas970",284.076,"Negative","Xanthosine","Nucleotide and its derivates","C01762"]
["Pas234",236.08,"Positive","N'-Formylkynurenine","Amino acid derivatives","C02700"]
["Pas198",299.087,"Positive","8-Hydroxyguanosine","Nucleotide and its derivates","-"]
["Pas901",129.079,"Negative","L-Pipecolic acid","Amino acid derivatives","C00408"]
["Pas182",307.057,"Positive","2'-Deoxycytidine-5'-monophosphate","Nucleotide and its derivates","C00239"]
["Pas253",281.112,"Positive","1-Methyladenosine","Nucleotide and its derivates","C02494"]
["Pas146",169.074,"Positive","Pyridoxine","Vitamins","C00314"]
["Pas258",465.1,"Positive","Delphinidin 3-O-glucoside (Mirtillin)","Anthocyanins","C12138"]
["Pas306",160.1,"Positive","L-Tryptamine","Tryptamine derivatives","C00398"]
["Pas218",163,"Positive","L-Methionine methyl ester","Amino acid derivatives","-"]
["Pas631",150.068,"Positive","Hydrocinnamic acid","Hydroxycinnamoyl derivatives","C05629"]
["Pas1230",178.063,"Negative","Coniferylaldehyde","Hydroxycinnamoyl derivatives","C02666"]
["Pas1059",372.142,"Negative","Syringin","Hydroxycinnamoyl derivatives","C01533"]
["Pas1155",164.047,"Negative","p-Coumaric acid","Hydroxycinnamoyl derivatives","C00811"]
["Pas323",297.09,"Positive","5'-Deoxy-5'-(methylthio)adenosine","Nucleotide and its derivates","C00170"]
["Pas549",318.038,"Positive","Myricetin","Flavonol","C10107"]
["Pas1096",458.085,"Negative","Epigallate catechin gallate (EGCG)","Catechin derivatives","C09731"]
["Pas1329",314.079,"Negative","Kumatakenin","Flavonol","-"]
["Pas707",402.132,"Positive","Nobiletin","Flavone","C10112"]
["Pas1189",304.058,"Negative","Dihydroquercetin (Taxifolin)","Flavonol","C01617"]
["Pas424",624.169,"Positive","Isorhamnetin 3-O-neohesperidoside","Flavonol","-"]
["Pas720",372.121,"Positive","Tangeretin","Flavone","C10190"]
["Pas477",442.3,"Positive","Epicatechin gallate (ECG)","Catechin derivatives","-"]
["Pas593",286.048,"Positive","Orobol (5,7,3',4'-tetrahydroxyisoflavone)","Isoflavone","C10510"]
["Pas1251",288.063,"Negative","Eriodictyol","Flavanone","C05631"]
["Pas654",316.058,"Positive","Isorhamnetin","Flavonol","C10084"]
["Pas1150",464.132,"Negative","Hesperetin 5-O-glucoside","Flavanone","-"]
["Pas596",416.111,"Positive","Apigenin 4-O-rhamnoside","Flavone","-"]
["Pas1126",594.159,"Negative","Kaempferol 3-O-robinobioside (Biorobin)","Flavonol","-"]
["Pas786",448.101,"Negative","Kaempferol 3-O-glucoside (Astragalin)","Flavonol","C12249"]
["Pas1160",180.079,"Negative","Coniferyl alcohol","Hydroxycinnamoyl derivatives","C00590"]
["Pas1269",358.142,"Negative","Pinoresinol","Hydroxycinnamoyl derivatives","-"]
["Pas581",175.063,"Positive","Indole 3-acetic acid (IAA)","Phytohormones","C00954"]
["Pas1291",210.126,"Negative","(+)-Jasmonic acid (JA)","Phytohormones","C08491"]
["Pas1192",138.032,"Negative","Salicylic acid (SA)","Phytohormones","C00805"]
["Pas245",476.168,"Positive","D-Pantothenic dcid","Organic acids","C12276"]
["Pas911",348.047,"Negative","Inosine 5'-monophosphate","Nucleotide and its derivates","C00130"]
["Pas1179",224.069,"Negative","Sinapic acid","Hydroxycinnamoyl derivatives","C00482"]
["Pas447",137.048,"Positive","Nicotinic Acid Methyl Ester (Methyl Nicotinate)","Vitamins","-"]
["Pas996",118.063,"Negative","3-Hydroxy-3-methyl butyric acid","Organic acids","-"]
["Pas811",276.132,"Negative","L-Saccharopine","Amino acid derivatives","C00449"]
["Pas133",137.07149,"Positive","3-Carbamyl-1-methylpyridinium (1-Methylnicotinamide)","Pyridine derivatives","C02918"]
["Pas293",595,"Positive","Cyanidin 3-O-rutinoside (Keracyanin)","Anthocyanins","C08620"]
["Pas237",611,"Positive","Cyanidin 3,5-O-diglucoside (Cyanin)","Anthocyanins","C08639"]
["Pas261",595,"Positive","Pelargonin","Anthocyanins","C08725"]
["Pas1041",154.027,"Negative","2,5-dihydroxybenzoic acid (Gentisic acid)","Benzoic acid derivatives","C00628"]
["Pas1038",154.027,"Negative","Protocatechuic acid","Catechin derivatives","C00230"]
["Pas118",117.079,"Positive","Betaine","Alkaloids","C00719"]
["Pas787",118.027,"Negative","Succinic acid","Organic acids","C00042"]
["Pas839",180.063,"Negative","D(+)-Glucose","Carbohydrates","C00031"]
["Pas111",131.07,"Positive","Creatine","Organic acids","C00300"]
["Pas857",115.063,"Negative","L-Proline","Amino acids","C00148"]
["Pas70",113.059,"Positive","Creatinine","Organic acids","C00791"]
["Pas125",182.079,"Positive","D-Mannitol","Alcohols and polyols","C00392"]
["Pas1086",376.138,"Negative","Riboflavin","Vitamins","C00255"]
["Pas834",89.048,"Negative","L-Alanine","Amino acids","C00041"]
["Pas846",150.053,"Negative","DL-Arabinose","Carbohydrates","-"]
["Pas84",169.1811,"Positive","3-N-Methyl-L-histidine","Amino acid derivatives","-"]
["Pas790",192.027,"Negative","Citric acid","Organic acids","C00158"]
["Pas280",221.128,"Positive","Dihydrozeatin (DZ)","Phytohormones","C02029"]
["Pas1254",264.136,"Negative","(+)-cis,trans-Abscisic acid (ABA)","Phytohormones","C06082"]
["Pas1316",323.401,"Negative","N-[(-)-Jasmonoyl]-(L)-Isoleucine (JA-L-Ile)","Phytohormones","-"]
["Pas89",162.113,"Positive","L-Carnitine","Others","C00318"]
["Pas76",111.08,"Positive","Histamine","Amino acid derivatives","C00388"]
["Pas1117",132.079,"Negative","(S)-(-)-2-Hydroxyisocaproic acid","Organic acids","-"]
["Pas356",180.042,"Positive","Caffeic acid","Hydroxycinnamoyl derivatives","C01197"]
["Pas835",182.079,"Negative","Dulcitol","Alcohols and polyols","C01697"]
["Pas791",130.027,"Negative","Citraconic acid","Organic acids","C02226"]
["Pas1141",302.006,"Negative","Ellagic acid","Others","C10788"]
["Pas824",152.069,"Negative","D-Arabitol","Alcohols and polyols","C01904"]
["Pas387",244.088,"Positive","Biotin","Vitamins","C00120"]
["Pas56",137.048,"Positive","Trigonelline","Alkaloids","C01004"]
["Pas169",363.058,"Positive","Guanosine monophosphate","Nucleotide and its derivates","-"]
["Pas78",88.1,"Positive","Putrescine","Phenolamides","C00134"]
["Pas671",230.152,"Positive","Dodecanedioic aicd","Organic acids","-"]
["Pas1072",152.047,"Negative","Mandelic acid","Organic acids","C01984"]
["Pas260",121.089,"Positive","Phenethylamine","Others","C05332"]
["Pas394",108.021,"Positive","Quinone","Others","C00472"]
["Pas847",103.063,"Negative","2-Aminoisobutyric acid","Amino acid derivatives","C03665"]
["Pas862",164.069,"Negative","L-Fucose","Carbohydrates","C01019"]
["Pas792",448.101,"Negative","Luteolin 7-O-glucoside (Cynaroside)","Flavone","-"]
["Pas344",138.032,"Positive","Protocatechuic aldehyde","Catechin derivatives","C16700"]
["Pas1143",578.164,"Negative","Kaempferol 3,7-dirhamnoside (Kaempferitrin)","Flavonol","C16981"]
["Pas1199",538.111,"Negative","Lithospermic acid","Organic acids","C08745"]
["Pas79",132.16,"Positive","L(+)-Ornithine","Amino acids","C00077"]
["Pas836",174.016,"Negative","Cis-Aconitic acid","Organic acids","C00417"]
["Pas894",347.063,"Negative","Adenosine 5'-monophosphate","Nucleotide and its derivates","C00020"]
["Pas156",218.09,"Positive","(5-L-Glutamyl)-L-amino acid","Amino acid derivatives","C03740"]
["Pas211",183.053,"Positive","4-Pyridoxic acid","Pyridine derivatives","C00847"]
["Pas80",165.046,"Positive","Methionine sulfoxide","Amino acid derivatives","-"]
["Pas342",111.032,"Positive","Pyrrole-2-carboxylic acid","Amino acid derivatives","C05942"]
["Pas58",117.079,"Positive","Dl-Norvaline","Amino acids","C01826"]
["Pas925",743.075,"Negative","NADP","Others","C00006"]
["Pas444",122.037,"Positive","4-Hydroxybenzaldehyde","Benzoic acid derivatives","C00633"]
["Pas92",130.11061,"Positive","N-Acetylputrescine","Phenolamides","C02714"]
["Pas1048",154.027,"Negative","2,3-Dihydroxybenzoic acid","Organic acids","C00196"]
["Pas561",145.053,"Positive","Indole-3-carboxaldehyde","Indole derivatives","C08493"]
["Pas636",203.095,"Positive","3-Indolebutyric acid","Phytohormones","C11284"]
["Pas104",398.137,"Positive","S-(5'-Adenosyl)-L-methionine","Amino acid derivatives","C00019"]
["Pas1060",785.157,"Negative","Flavin adenine dinucleotide (FAD)","Nucleotide and its derivates","C00016"]
["Pas73",221.09,"Positive","N-Acetyl-D-glucosamine","Carbohydrates","C00140"]
["Pas854",163.1287,"Negative","4-Hydroxy-L-glutamic acid","Amino acid derivatives","C03079"]
["Pas1032",180.065,"Negative","1,7-Dimethylxanthine","Nucleotide and its derivates","C13747"]
["Pas372",218.106,"Positive","N-Acetyl-5-hydroxytryptamine","Tryptamine derivatives","C00978"]
["Pas217",166.049,"Positive","7-Methylxanthine","Nucleotide and its derivates","C16353"]
["Pas1321",240.245,"Negative","Palmitaldehyde","Lipids_Fatty acids","C00517"]
["Pas71",139.027,"Positive","4-Nitrophenol","Others","C00870"]
["Pas813",141.019,"Negative","O-Phosphorylethanolamine","Others","-"]
["Pas140",129.101,"Positive","1,1-Dimethylbiguanide","Others","C07151"]
["Pas134",268.055,"Positive","L-Homocystine","Amino acids","C01817"]
["Pas1018",354.095,"Negative","1-O-Caffeoyl quinic acid","Quinate and its derivatives","-"]
["Pas500",610.19,"Positive","Hesperetin 7-rutinoside (Hesperidin)","Flavanone","C09755"]
["Pas615",302.043,"Positive","Quercetin","Flavonol","C00389"]
["Pas634",272.069,"Positive","Naringenin chalcone","Flavanone","C06561"]
["Pas1229",288.063,"Negative","Aromadedrin (Dihydrokaempferol)","Flavonol","C00974"]
["Pas706",256.074,"Positive","Pinocembrin (Dihydrochrysin)","Flavanone","C09827"]
["Pas1244",594.195,"Negative","Isosakuranetin-7-neohesperidoside (Poncirin)","Flavanone","C09830"]
["Pas640",148.052,"Positive","3,4-Dihydrocoumarin","Coumarins","C02274"]
["Pas501",192.042,"Positive","Scopoletin (7-Hydroxy-5-methoxycoumarin)","Coumarins","C01752"]
["Pas1221",162.032,"Negative","4-Hydroxycoumarin","Coumarins","C20414"]
["Pas800",404.161,"Negative","Uridine 5’-diphosphate","Nucleotide and its derivates","C00015"]
["Pas115",103.063,"Positive","γ-aminobutyric acid","Organic acids","C00334"]
["Pas100",103.063,"Positive","N,N-Dimethylglycine","Amino acid derivatives","C01026"]
["Pas60",129.043,"Positive","5-oxoproline","Amino acid derivatives","C01879"]
["Pas718",330.183,"Positive","GIBBERELLIN A15","Phytohormones","C14162"]
["Pas772",555.284,"Positive","Taurocholic acid","Organic acids","C05122"]
["Pas81",168.09,"Positive","4-(Aminomethyl)-5-(hydroxymethyl)-2-methylpyridin-3-ol","Others","C00534"]
["Pas1159",165.043,"Negative","2-(Formylamino)benzoic acid","Organic acids","-"]
["Pas941",119.022,"Negative","Aminomalonic acid","Organic acids","C00872"]
["Pas144",149.07,"Positive","1-Methyladenine","Nucleotide and its derivates","C02216"]
["Pas1149",464.096,"Negative","Quercetin 4'-O-glucoside (Spiraeoside)","Flavonol","-"]
["Pas1334",238.063,"Negative","3-Hydroxyflavone","Flavonol","C20871"]
["Pas735",399.335,"Positive","L-Palmitoylcarnitine","Others","C02990"]
["Pas804",260.03,"Negative","D-Glucose 6-phosphate","Carbohydrates","C00092"]
["Pas863",323.052,"Negative","Cytidine 5'-monophosphate (Cytidylic acid)","Nucleotide and its derivates","C00055"]
["Pas161",331.068,"Positive","2'-Deoxyadenosine-5'-monophosphate","Nucleotide and its derivates","C00360"]
["Pas929",324.036,"Negative","Uridine 5'-monophosphate","Nucleotide and its derivates","C00105"]
["Pas1064",154.027,"Negative","2,4-Dihydroxybenzoic acid","Benzoic acid derivatives","-"]
["Pas805",142.027,"Negative","trans,trans-Muconic acid","Organic acids","-"]
["Pas62",432.106,"Positive","Genistein 7-O-Glucoside (Genistin)","Isoflavone","C09126"]
["Pas1151",464.096,"Negative","Quercetin 3-O-glucoside (Isotrifoliin)","Flavonol","C05623"]
["Pas1055",342.132,"Negative","Coniferin","Hydroxycinnamoyl derivatives","C00761"]
["Pas256",611,"Positive","Delphinidin 3-O-rutinoside (Tulipanin)","Anthocyanins","C16315"]
["Pas64",448.101,"Positive","Kaempferol 3-O-galactoside (Trifolin)","Flavonol","C12626"]
["Pas589",286.048,"Positive","2'-Hydroxygenistein","Isoflavone","C12134"]
["Pas556",432.106,"Positive","Kaempferol 3-O-rhamnoside (Kaempferin)","Flavonol","C16911"]
["Pas1046",146.058,"Negative","2-Methylglutaric acid","Organic acids","-"]
["Pas875",260.03,"Negative","D-Fructose 6-phosphate","Carbohydrates","C00085"]
["Pas199",152.059,"Positive","1,4-dihydro-1-Methyl-4-oxo-3-pyridinecarboxamide","Pyridine derivatives","-"]
["Pas65",383.108,"Positive","N6-Succinyl Adenosine","Nucleotide and its derivates","-"]
["Pas1047",132.079,"Negative","5-hydroxyhexanoic acid","Organic acids","-"]
["Pas864",145.074,"Negative","Allysine(6-Oxo DL-Norleucine)","Amino acid derivatives","C04076"]
["Pas1031",360.129,"Negative","Aminophylline","Alkaloids","-"]
["Pas922",161.069,"Negative","N-Acetylthreonine","Amino acid derivatives","-"]
["Pas850",188.127,"Negative","H-HomoArg-OH","Amino acid derivatives","C01924"]
["Pas296",479,"Positive","Petunidin 3-O-glucoside","Anthocyanins","C12139"]
["Pas310",433.1,"Positive","Pelargonidin 3-O-beta-D-glucoside（Callistephin chloride)","Anthocyanins","-"]
["Pas1256",446.121,"Negative","Sissotrin","Isoflavone","C05376"]
["Pas1278",346.069,"Negative","Syringetin","Flavonol","C11620"]
["Pas357",178.027,"Positive","Esculetin (6,7-dihydroxycoumarin)","Coumarins","C09263"]
["Pas1053",340.079,"Negative","Esculin (6,7-Dihydroxycoumarin-6-glucoside)","Coumarins","C09264"]
["Pas1217",208.074,"Negative","Sinapinaldehyde","Hydroxycinnamoyl derivatives","-"]
["Pas733",394.142,"Positive","Rotenone","Isoflavone","C07593"]
["Pas521",148.052,"Positive","p-Coumaraldehyde","Hydroxycinnamoyl derivatives","-"]
["Pas384",740.216,"Positive","Kaempferol-3-O-robinoside-7-O-rhamnoside (Robinin)","Flavonol","C10178"]
["Pas641",272.069,"Positive","Butin","Flavone","C09614"]
["Pas1106",480.09,"Negative","Myricetin 3-O-galactoside","Flavonol","-"]
["Pas1259",302.04265,"Negative","Morin","Flavonol","C10105"]
["Pas678",216.042,"Positive","Bergapten","Coumarins","C01557"]
["Pas818",194.043,"Negative","D-glucoronic acid","Carbohydrates","C00191"]
["Pas795",166.048,"Negative","D-Xylonic acid","Organic acids","-"]
["Pas66",243.086,"Positive","Cytidine","Nucleotide and its derivates","C00475"]
["Pas163",197.069,"Positive","3,4-Dihydroxy-DL-phenylalanine","Amino acid derivatives","C00355"]
["Pas215",345.047,"Positive","Guanosine 3',5'-cyclic monophosphate","Nucleotide and its derivates","C00942"]
["Pas228",251.102,"Positive","Deoxyadenosine","Nucleotide and its derivates","C00559"]
["Pas241",311.123,"Positive","2-(dimethylamino)guanosine","Nucleotide and its derivates","-"]
["Pas920",244.07,"Negative","β-Pseudouridine","Nucleotide and its derivates","C02067"]
["Pas955",268.081,"Negative","Hypoxanthine-9-β-D-arabinofuranoside","Nucleotide and its derivates","-"]

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