This vignette showcases the functionality of the metLinkR R package, the code for which can be found at our github site.
MetLinkR is a package designed to harmonize and align metabolite identifiers across multiple input studies. Outputs are arranged to provide a number of ways to explore alignment results that will meet the different needs of various users. MetLinkR uses RefMet and RaMP-DB for metabolite name standardization and synonym searching, respectively. It is a relatively simple package with just one exported function meant for the user. Because meta-analyses of metabolomic studies can include tens of studies with thousands of metabolites, metLinkR performs queries in parallel, which requires simple setup to take advantage of.
Next we showcase the use of the main function of the package,
harmonizeInputFiles(). This step also requires the creation
of a csv manifest that contains metadata regarding the supplied
metabolite IDs. Lastly, we provide an overview of the outputs provided
by a typical metLinkR run.
MetLinkR automatically performs parallel computations using the
parallel and doParallel packages, but requires
that the user supply the number of cores that can be reserved for the
task. This can be done with the detectCores() function:
Next we need to organize the input data files and build a csv manifest to describe the metadata provided for our metabolite entities in our inputs. The example manifest for this vignette is as follows:
| FileNames | ShortFileName | HMDB | Metabolite_Name | PubChem_CID | KEGG | LIPIDMAPS | chebi |
|---|---|---|---|---|---|---|---|
| example_data/SamplefromCOMETS.csv | inputfile | HMDB_ID | metabolite_name | PUBCHEM | NA | NA | NA |
| example_data/2019_Metabolon_Metadata.csv | VickyFile | HMDB | BIOCHEMICAL.NAME | PUBCHEM | NA | NA | NA |
| example_data/Metabolon_Annotations_Serum_hmdbformatted.csv | JohnFile | HMDB | CHEMICAL_NAME | PUBCHEM | NA | NA | NA |
| example_data/CSVModifiedBroadfilefromVicky20182019.csv | broadfileVicky | HMDB_ID | Metabolite | COMP_ID | NA | NA | NA |
| example_data/Broad_2022Aug_annotations.csv | broadfileEwy | hmdbId | name | pubChemId | NA | NA | NA |
MetLinkR performs an exhaustive search of all identifier types supplied, meaning that all supplied IDs are queried to ensure the highest possible mapping rate. ID types are prioritized for harmonization purposes in the following order, from highest to lowest:
With the manifest created and our input data files properly organized, we’re ready to run metLinkR.
The main exported function for metLinkR is
harmonizeInputSheets, which takes four paramaters as
input:
inputcsv: the file/pathname for the identifier manifest
we constructedn_cores: the number of cores for parallelizationmapping_library_format: one of the main outputs of a
metLinkR analysis is the mapping library, which contains the
associations with metabolite species from each input file to a consensus
name generated by RefMet. This parameter specifies if this library
should be returned in “long” or “wide” or “both” formats.remove_parentheses_for_synonym_search: We found a
common issue with parsing common names was that some platforms would
include redundant or secondary information in parentheses following a
primary ID. This optional filter removes this information after
attempting a primary match.use_metabolon_parsers: removes special characters such
as “*” and “(1)” or “(2)” when dealing with ambiguous or duplicate
features from the Metabolon platform, respectivelymajority_vote: When multiple IDs are supplied for a
metabolite, either (1) use the most common RefMet output among options,
or (2) prioritize options in the following order: HMDB > KEGG >
LIPIDMAPS > Chebi > Common Name > PubChemharmonizeInputSheets will keep you apprised of its
progress as it runs, and provide some stats on the mapping rates to the
console as well as run time. Don’t worry about saving this information,
it will also be present in the output files.
require("metLinkR")
setwd(paste0(path.package("metLinkR"),"/extdata"))
n_cores <- parallel::detectCores() - 1
metLinkR_output <- harmonizeInputSheets(inputcsv=system.file("extdata/HarmInputFiles.csv", package="metLinkR"),
n_cores = n_cores,
mapping_library_format="both",
remove_parentheses_for_synonym_search = TRUE,
use_metabolon_parsers = TRUE,
majority_vote = TRUE)## [1] "data.frame"
## [1] 611 9
## metabid metabolite_name SUPER_PATHWAY
## 1 ACETOACETATE acetoacetate Lipid
## 2 ACETYLCARNITINE acetylcarnitine Lipid
## 3 ACISOGA acisoga Amino Acid
## 4 ADENINE adenine Nucleotide
## 5 ADENOSINE adenosine Nucleotide
## 6 ADRENATE__22_4N6_ adrenate (22:4n6) Lipid
## 7 ADSGEGDFXAEGGGVR ADSGEGDFXAEGGGVR* Peptide
## 8 ALANINE alanine Amino Acid
## 9 ALANYLLEUCINE alanylleucine Peptide
## 10 ALLANTOIN allantoin Nucleotide
## 11 ALLIIN alliin Xenobiotics
## 12 ALLO_ISOLEUCINE allo-isoleucine Amino Acid
## 13 ALLO_THREONINE allo-threonine Amino Acid
## 14 ALPHA_CEHC alpha-CEHC Cofactors and Vitamins
## 15 ALPHA_CEHC_GLUCURONIDE alpha-CEHC glucuronide* Cofactors and Vitamins
## 16 ALPHA_CEHC_SULFATE alpha-CEHC sulfate Cofactors and Vitamins
## 17 ALPHA_HYDROXYCAPROATE alpha-hydroxycaproate Lipid
## 18 ALPHA_HYDROXYISOCAPROATE alpha-hydroxyisocaproate Amino Acid
## 19 ALPHA_HYDROXYISOVALERATE alpha-hydroxyisovalerate Amino Acid
## 20 ALPHA_KETOBUTYRATE alpha-ketobutyrate Amino Acid
## 21 ALPHA_KETOGLUTARATE alpha-ketoglutarate Energy
## 22 ALPHA_TOCOPHEROL alpha-tocopherol Cofactors and Vitamins
## 23 ANDROSTERONE_SULFATE androsterone sulfate Lipid
## 24 ANDRO_STEROID_MONOSULFATE_1 andro steroid monosulfate (1)* Lipid
## 25 ARABINOSE arabinose Carbohydrate
## 26 ARABITOL arabitol Carbohydrate
## 27 ARABONATE arabonate Cofactors and Vitamins
## 28 ARACHIDATE__20_0_ arachidate (20:0) Lipid
## 29 ARACHIDONATE__20_4N6_ arachidonate (20:4n6) Lipid
## 30 ARACHIDOYL_SPHINGOMYELIN arachidoyl sphingomyelin* Lipid
## 31 ARGININE arginine Amino Acid
## 32 ASCORBATE__VITAMIN_C_ ascorbate (Vitamin C) Cofactors and Vitamins
## 33 ASPARAGINE asparagine Amino Acid
## 34 ASPARTATE aspartate Amino Acid
## 35 AZELATE__NONANEDIOATE_ azelate (nonanedioate) Lipid
## 36 BENZOATE benzoate Xenobiotics
## 37 BETAINE betaine Amino Acid
## 38 BETA_ALANINE beta-alanine Nucleotide
## 39 BETA_HYDROXYISOVALERATE beta-hydroxyisovalerate Amino Acid
## 40 BETA_HYDROXYISOVALEROYLCARNIT beta-hydroxyisovaleroylcarnitine Amino Acid
## 41 BETA_SITOSTEROL beta-sitosterol Lipid
## 42 BETA_TOCOPHEROL beta-tocopherol Cofactors and Vitamins
## 43 BETONICINE betonicine Xenobiotics
## 44 BILIRUBIN__E_E_ bilirubin (E,E)* Cofactors and Vitamins
## 45 BILIRUBIN__Z_Z_ bilirubin (Z,Z) Cofactors and Vitamins
## 46 BILIVERDIN biliverdin Cofactors and Vitamins
## 47 BRADYKININ bradykinin Peptide
## 48 BRADYKININ__DES_ARG_9_ bradykinin, des-arg(9) Peptide
## 49 BUTYRYLCARNITINE butyrylcarnitine Lipid
## 50 BUTYRYLGLYCINE butyrylglycine Lipid
## 51 CAFFEINE caffeine Xenobiotics
## 52 CAMP adenosine 3',5'-cyclic monophosphate (cAMP) Nucleotide
## 53 CAMPESTEROL campesterol Lipid
## 54 CAPRATE__10_0_ caprate (10:0) Lipid
## 55 CAPROATE__6_0_ caproate (6:0) Lipid
## 56 CAPRYLATE__8_0_ caprylate (8:0) Lipid
## 57 CARBOXYIBUPROFEN carboxyibuprofen Xenobiotics
## 58 CARNITINE carnitine Lipid
## 59 CATECHOL_SULFATE catechol sulfate Xenobiotics
## 60 CHIRO_INOSITOL chiro-inositol Lipid
## 61 CHOLATE cholate Lipid
## 62 CHOLESTEROL cholesterol Lipid
## 63 CHOLINE choline Lipid
## 64 CINNAMOYLGLYCINE cinnamoylglycine Xenobiotics
## 65 CIS_4_DECENOYL_CARNITINE cis-4-decenoyl carnitine Lipid
## 66 CITRATE citrate Energy
## 67 CITRULLINE citrulline Amino Acid
## 68 CMPF 3-carboxy-4-methyl-5-propyl-2-furanpropanoate (CMPF) Lipid
## 69 CORTICOSTERONE corticosterone Lipid
## 70 CORTISOL cortisol Lipid
## 71 CORTISONE cortisone Lipid
## 72 CREATINE creatine Amino Acid
## 73 CREATININE creatinine Amino Acid
## 74 CYSTEINE cysteine Amino Acid
## 75 CYSTEINE_GLUTATHIONE_DISULFID cysteine-glutathione disulfide Amino Acid
## 76 CYSTEINE_S_SULFATE cysteine s-sulfate Amino Acid
## 77 CYSTINE cystine Amino Acid
## 78 CYS_GLY__OXIDIZED cys-gly, oxidized Amino Acid
## 79 CYTIDINE cytidine Nucleotide
## 80 C_GLYCOSYLTRYPTOPHAN C-glycosyltryptophan Amino Acid
## 81 DAIDZEIN_SULFATE_2 daidzein sulfate (2) Xenobiotics
## 82 DECANOYLCARNITINE decanoylcarnitine Lipid
## 83 DELTA_TOCOPHEROL delta-tocopherol Cofactors and Vitamins
## 84 DEOXYCARNITINE deoxycarnitine Lipid
## 85 DEOXYCHOLATE_CHENODEOXYCHOLAT deoxycholate/chenodeoxycholate Lipid
## 86 DHEA_S dehydroisoandrosterone sulfate (DHEA-S) Lipid
## 87 DIHOMO_LINOLEATE__20_2N6_ dihomo-linoleate (20:2n6) Lipid
## 88 DIHOMO_LINOLENATE dihomo-linolenate (20:3n3 or n6) Lipid
## 89 DIHYDROFERULIC_ACID dihydroferulic acid Xenobiotics
## 90 DIMETHYLARGININE__SDMA___ADMA dimethylarginine (SDMA + ADMA) Amino Acid
## 91 DIMETHYLGLYCINE dimethylglycine Amino Acid
## 92 DIMETHYL_SULFONE dimethyl sulfone Xenobiotics
## 93 DOCOSADIENOATE__22_2N6_ docosadienoate (22:2n6) Lipid
## 94 DOCOSAHEXAENOATE docosahexaenoate (DHA; 22:6n3) Lipid
## 95 DOCOSAPENTAENOAT docosapentaenoate (n6 DPA; 22:5n6) Lipid
## 96 DOCOSAPENTAENOATE docosapentaenoate (n3 DPA; 22:5n3) Lipid
## 97 DODECANEDIOATE dodecanedioate Lipid
## 98 DOPAMINE_SULFATE_1 dopamine sulfate (1) Amino Acid
## 99 DOPAMINE_SULFATE_2 dopamine sulfate (2) Amino Acid
## 100 DSGEGDFXAEGGGVR DSGEGDFXAEGGGVR* Peptide
## 101 EICOSAPENTAENOATE eicosapentaenoate (EPA; 20:5n3) Lipid
## 102 EICOSENOATE__20_1N9_OR_11_ eicosenoate (20:1n9 or 11) Lipid
## 103 EICOSENOYL_SPHINGOMYELIN eicosenoyl sphingomyelin* Lipid
## 104 EPIANDROSTERONE_SULFATE epiandrosterone sulfate Lipid
## 105 ERGOTHIONEINE ergothioneine Xenobiotics
## 106 ERUCATE__22_1N9_ erucate (22:1n9) Lipid
## 107 ERYTHRITOL erythritol Xenobiotics
## 108 ERYTHRONATE erythronate* Carbohydrate
## 109 ESTRONE_3_SULFATE estrone 3-sulfate Lipid
## 110 ETHYLMALONATE ethylmalonate Amino Acid
## 111 ETHYL_GLUCURONIDE ethyl glucuronide Xenobiotics
## 112 ETIOCHOLANOLONE_GLUCURONIDE etiocholanolone glucuronide Lipid
## 113 EUGENOL_SULFATE eugenol sulfate Xenobiotics
## 114 EURICOYL_SPHINGOMYELIN euricoyl sphingomyelin* Lipid
## 115 FERULIC_ACID_4_SULFATE ferulic acid 4-sulfate Xenobiotics
## 116 FRUCTOSE fructose Carbohydrate
## 117 FUCOSE fucose Carbohydrate
## 118 FUMARATE fumarate Energy
## 119 GALACTONATE galactonate Carbohydrate
## 120 GAMMA_CEHC gamma-CEHC Cofactors and Vitamins
## 121 GAMMA_CEHC_GLUCURONIDE gamma-CEHC glucuronide* Cofactors and Vitamins
## 122 GAMMA_GLUTAMYLALANINE gamma-glutamylalanine Peptide
## 123 GAMMA_GLUTAMYLGLUTAMATE gamma-glutamylglutamate Peptide
## 124 GAMMA_GLUTAMYLGLUTAMINE gamma-glutamylglutamine Peptide
## 125 GAMMA_GLUTAMYLISOLEUCINE gamma-glutamylisoleucine* Peptide
## 126 GAMMA_GLUTAMYLLEUCINE gamma-glutamylleucine Peptide
## 127 GAMMA_GLUTAMYLLYSINE gamma-glutamyllysine Peptide
## 128 GAMMA_GLUTAMYLMETHIONINE gamma-glutamylmethionine Peptide
## 129 GAMMA_GLUTAMYLPHENYLALANINE gamma-glutamylphenylalanine Peptide
## 130 GAMMA_GLUTAMYLTHREONINE gamma-glutamylthreonine* Peptide
## 131 GAMMA_GLUTAMYLTRYPTOPHAN gamma-glutamyltryptophan Peptide
## 132 GAMMA_GLUTAMYLTYROSINE gamma-glutamyltyrosine Peptide
## 133 GAMMA_GLUTAMYLVALINE gamma-glutamylvaline Peptide
## 134 GAMMA_GLUTAMYL_2_AMINOBUTYRAT gamma-glutamyl-2-aminobutyrate Peptide
## 135 GAMMA_TOCOPHEROL gamma-tocopherol Cofactors and Vitamins
## 136 GENTISATE gentisate Amino Acid
## 137 GENTISIC_ACID_5_GLUCOSIDE gentisic acid-5-glucoside Xenobiotics
## 138 GLUCONATE gluconate Xenobiotics
## 139 GLUCOSE glucose Carbohydrate
## 140 GLUCURONATE glucuronate Carbohydrate
## 141 GLUTAMATE glutamate Amino Acid
## 142 GLUTAMINE glutamine Amino Acid
## 143 GLUTAMINE_LEUCINE glutamine-leucine Peptide
## 144 GLUTARATE__PENTANEDIOATE_ glutarate (pentanedioate) Amino Acid
## 145 GLUTARYLCARNITINE glutarylcarnitine (C5) Amino Acid
## 146 GLYCERATE glycerate Carbohydrate
## 147 GLYCEROL glycerol Lipid
## 148 GLYCEROL_3_PHOSPHATE__G3P_ glycerol 3-phosphate (G3P) Lipid
## 149 GLYCEROPHOSPHOETHANOLAMINE glycerophosphoethanolamine Lipid
## 150 GLYCEROPHOSPHORYLCHOLINE__GPC glycerophosphorylcholine (GPC) Lipid
## 151 GLYCINE glycine Amino Acid
## 152 GLYCOCHENODEOXYCHOLATE glycochenodeoxycholate Lipid
## 153 GLYCOCHOLATE glycocholate Lipid
## 154 GLYCOCHOLENATE_SULFATE glycocholenate sulfate* Lipid
## 155 GLYCODEOXYCHOLATE glycodeoxycholate Lipid
## 156 GLYCOHYOCHOLATE glycohyocholate Lipid
## 157 GLYCOLITHOCHOLATE glycolithocholate Lipid
## 158 GLYCOLITHOCHOLATE_SULFATE glycolithocholate sulfate* Lipid
## 159 GLYCOURSODEOXYCHOLATE glycoursodeoxycholate Lipid
## 160 GLYCYLLEUCINE glycylleucine Peptide
## 161 GLYCYLVALINE glycylvaline Peptide
## 162 GUANIDINOACETATE guanidinoacetate Amino Acid
## 163 GUANIDINOSUCCINATE guanidinosuccinate Amino Acid
## 164 GUANOSINE guanosine Nucleotide
## 165 GULONIC_ACID gulonic acid* Cofactors and Vitamins
## 166 HEME heme Cofactors and Vitamins
## 167 HEPTANOATE__7_0_ heptanoate (7:0) Lipid
## 168 HEXADECANEDIOATE hexadecanedioate Lipid
## 169 HEXANOYLCARNITINE hexanoylcarnitine Lipid
## 170 HEXANOYLGLYCINE hexanoylglycine Lipid
## 171 HIPPURATE hippurate Xenobiotics
## 172 HISTIDINE histidine Amino Acid
## 173 HISTIDYLALANINE histidylalanine Peptide
## 174 HOMOARGININE homoarginine Amino Acid
## 175 HOMOCITRULLINE homocitrulline Amino Acid
## 176 HOMOSTACHYDRINE homostachydrine* Xenobiotics
## 177 HWESASXX HWESASXX* Peptide
## 178 HYDANTOIN_5_PROPIONIC_ACID hydantoin-5-propionic acid Amino Acid
## 179 HYDROCHLOROTHIAZIDE hydrochlorothiazide Xenobiotics
## 180 HYDROQUINONE_SULFATE hydroquinone sulfate Xenobiotics
## 181 HYDROXYBUTYRYLCARNITINE hydroxybutyrylcarnitine* Lipid
## 182 HYPOTAURINE hypotaurine Amino Acid
## 183 HYPOXANTHINE hypoxanthine Nucleotide
## 184 IBUPROFEN ibuprofen Xenobiotics
## 185 IMIDAZOLE_LACTATE imidazole lactate Amino Acid
## 186 IMIDAZOLE_PROPIONATE imidazole propionate Amino Acid
## 187 INDOLEACETATE indoleacetate Amino Acid
## 188 INDOLEACETYLGLUTAMINE indoleacetylglutamine Amino Acid
## 189 INDOLEBUTYRATE indolebutyrate Amino Acid
## 190 INDOLELACTATE indolelactate Amino Acid
## 191 INDOLEPROPIONATE indolepropionate Amino Acid
## 192 INDOLE_3_CARBOXYLIC_ACID indole-3-carboxylic acid Amino Acid
## 193 INDOLIN_2_ONE indolin-2-one Xenobiotics
## 194 INOSINE inosine Nucleotide
## 195 INOSITOL_1_PHOSPHATE__I1P_ inositol 1-phosphate (I1P) Lipid
## 196 ISOBUTYRYLCARNITINE isobutyrylcarnitine Amino Acid
## 197 ISOBUTYRYLGLYCINE isobutyrylglycine Amino Acid
## 198 ISOEUGENOL_SULFATE isoeugenol sulfate Xenobiotics
## 199 ISOLEUCINE isoleucine Amino Acid
## 200 ISOLEUCYLGLYCINE isoleucylglycine Peptide
## 201 ISOVALERATE isovalerate Amino Acid
## 202 ISOVALERYLCARNITINE isovalerylcarnitine Amino Acid
## 203 ISOVALERYLGLYCINE isovalerylglycine Amino Acid
## 204 I_UROBILINOGEN I-urobilinogen Cofactors and Vitamins
## 205 KYNURENATE kynurenate Amino Acid
## 206 KYNURENINE kynurenine Amino Acid
## 207 LACTATE lactate Carbohydrate
## 208 LACTOSE lactose Carbohydrate
## 209 LATHOSTEROL lathosterol Lipid
## 210 LAURATE__12_0_ laurate (12:0) Lipid
## 211 LEUCINE leucine Amino Acid
## 212 LEUCYLGLYCINE leucylglycine Peptide
## 213 LEVULINATE__4_OXOVALERATE_ levulinate (4-oxovalerate) Xenobiotics
## 214 LINOLEATE__18_2N6_ linoleate (18:2n6) Lipid
## 215 LINOLENATE_ALPHA_OR_GAMMA linolenate [alpha or gamma; (18:3n3 or 6)] Lipid
## 216 LINOLEOYLCARNITINE linoleoylcarnitine* Lipid
## 217 LYSINE lysine Amino Acid
## 218 L_UROBILIN L-urobilin Cofactors and Vitamins
## 219 MALATE malate Energy
## 220 MALEATE__CIS_BUTENEDIOATE_ maleate (cis-Butenedioate) Lipid
## 221 MALONATE__PROPANEDIOATE_ malonate (propanedioate) Lipid
## 222 MALONYLCARNITINE malonylcarnitine Lipid
## 223 MALTOSE maltose Carbohydrate
## 224 MANNITOL mannitol Carbohydrate
## 225 MANNOSE mannose Carbohydrate
## 226 MARGARATE__17_0_ margarate (17:0) Lipid
## 227 METHIONINE methionine Amino Acid
## 228 METHIONINE_SULFONE methionine sulfone Amino Acid
## 229 METHIONINE_SULFOXIDE methionine sulfoxide Amino Acid
## 230 METHYLSUCCINATE methylsuccinate Amino Acid
## 231 METHYL_4_HYDROXYBENZOATE_SULF methyl-4-hydroxybenzoate sulfate Xenobiotics
## 232 METHYL_GLUCOPYRANOSIDE__A_B_ methyl glucopyranoside (alpha + beta) Xenobiotics
## 233 METHYL_INDOLE_3_ACETATE methyl indole-3-acetate Xenobiotics
## 234 MYO_INOSITOL myo-inositol Lipid
## 235 MYRISTATE__14_0_ myristate (14:0) Lipid
## 236 MYRISTOLEATE__14_1N5_ myristoleate (14:1n5) Lipid
## 237 MYRISTOLEOYL_SPHINGOMYELIN myristoleoyl sphingomyelin* Lipid
## 238 MYRISTOYL_SPHINGOMYELIN myristoyl sphingomyelin* Lipid
## 239 N1_METHYLADENOSINE N1-methyladenosine Nucleotide
## 240 N1_METHYLGUANOSINE N1-methylguanosine Nucleotide
## 241 N1_METHYL_2_PYRIDONE_5_CARBOX N1-Methyl-2-pyridone-5-carboxamide Cofactors and Vitamins
## 242 N2_ACETYLLYSINE N2-acetyllysine Amino Acid
## 243 N2_N2_DIMETHYLGUANOSINE N2,N2-dimethylguanosine Nucleotide
## 244 N6_ACETYLLYSINE N6-acetyllysine Amino Acid
## 245 N6_CARBAMOYLTHREONYLADENOSINE N6-carbamoylthreonyladenosine Nucleotide
## 246 N6_METHYLADENOSINE N6-methyladenosine Nucleotide
## 247 N6_SUCCINYLADENOSINE N6-succinyladenosine Nucleotide
## 248 NAAG N-acetyl-aspartyl-glutamate (NAAG) Amino Acid
## 249 NAPROXEN naproxen Xenobiotics
## 250 NERVONOYL_SPHINGOMYELIN nervonoyl sphingomyelin* Lipid
## 251 NICOTINAMIDE nicotinamide Cofactors and Vitamins
## 252 NONADECANOATE__19_0_ nonadecanoate (19:0) Lipid
## 253 N_6_TRIMETHYLLYSINE N-6-trimethyllysine Amino Acid
## 254 N_ACETYLALANINE N-acetylalanine Amino Acid
## 255 N_ACETYLALLIIN N-acetylalliin Xenobiotics
## 256 N_ACETYLARGININE N-acetylarginine Amino Acid
## 257 N_ACETYLASPARTATE__NAA_ N-acetylaspartate (NAA) Amino Acid
## 258 N_ACETYLCARNOSINE N-acetylcarnosine Peptide
## 259 N_ACETYLCITRULLINE N-acetylcitrulline Amino Acid
## 260 N_ACETYLGLUTAMATE N-acetylglutamate Amino Acid
## 261 N_ACETYLGLUTAMINE N-acetylglutamine Amino Acid
## 262 N_ACETYLGLYCINE N-acetylglycine Amino Acid
## 263 N_ACETYLHISTIDINE N-acetylhistidine Amino Acid
## 264 N_ACETYLISOLEUCINE N-acetylisoleucine Amino Acid
## 265 N_ACETYLKYNURENINE_2 N-acetylkynurenine (2) Amino Acid
## 266 N_ACETYLLEUCINE N-acetylleucine Amino Acid
## 267 N_ACETYLMETHIONINE N-acetylmethionine Amino Acid
## 268 N_ACETYLNEURAMINATE N-acetylneuraminate Carbohydrate
## 269 N_ACETYLPHENYLALANINE N-acetylphenylalanine Amino Acid
## 270 N_ACETYLPUTRESCINE N-acetylputrescine Amino Acid
## 271 N_ACETYLSERINE N-acetylserine Amino Acid
## 272 N_ACETYLTAURINE N-acetyltaurine Amino Acid
## 273 N_ACETYLTHREONINE N-acetylthreonine Amino Acid
## 274 N_ACETYLTRYPTOPHAN N-acetyltryptophan Amino Acid
## 275 N_ACETYLTYROSINE N-acetyltyrosine Amino Acid
## 276 N_ACETYLVALINE N-acetylvaline Amino Acid
## 277 N_ACETYL_1_METHYLHISTIDINE N-acetyl-1-methylhistidine* Amino Acid
## 278 N_ACETYL_3_METHYLHISTIDINE N-acetyl-3-methylhistidine* Amino Acid
## 279 N_ACETYL_BETA_ALANINE N-acetyl-beta-alanine Nucleotide
## 280 N_DELTA_ACETYLORNITHINE N-delta-acetylornithine Amino Acid
## 281 N_FORMYLMETHIONINE N-formylmethionine Amino Acid
## 282 N_LINOLEOYLGLYCINE N-linoleoylglycine Lipid
## 283 N_METHYLPIPECOLATE N-methylpipecolate Xenobiotics
## 284 N_METHYLPROLINE N-methylproline Amino Acid
## 285 N_OLEOYLTAURINE N-oleoyltaurine Lipid
## 286 N_PALMITOYL_GLYCINE N-palmitoyl glycine Lipid
## 287 N__2_FUROYL_GLYCINE N-(2-furoyl)glycine Xenobiotics
## 288 OCTADECANEDIOATE octadecanedioate Lipid
## 289 OCTANOYLCARNITINE octanoylcarnitine Lipid
## 290 OLEATE__18_1N9_ oleate (18:1n9) Lipid
## 291 OLEIC_ETHANOLAMIDE oleic ethanolamide Lipid
## 292 OLEOYLCARNITINE oleoylcarnitine Lipid
## 293 OLEOYL_LINOLEOYL_GLYCEROL oleoyl-linoleoyl-glycerol Lipid
## 294 OLEOYL_LINOLEOYL_GPPI_1 oleoyl-linoleoyl-glycerophosphoinositol (1)* Lipid
## 295 OLEOYL_SPHINGOMYELIN oleoyl sphingomyelin Lipid
## 296 ORNITHINE ornithine Amino Acid
## 297 OROTATE orotate Nucleotide
## 298 OROTIDINE orotidine Nucleotide
## 299 OXALATE__ETHANEDIOATE_ oxalate (ethanedioate) Cofactors and Vitamins
## 300 O_CRESOL_SULFATE o-cresol sulfate Amino Acid
## 301 O_METHYLCATECHOL_SULFATE O-methylcatechol sulfate Xenobiotics
## 302 O_SULFO_L_TYROSINE O-sulfo-L-tyrosine Xenobiotics
## 303 PALMITATE__16_0_ palmitate (16:0) Lipid
## 304 PALMITOLEATE__16_1N7_ palmitoleate (16:1n7) Lipid
## 305 PALMITOLEOYL_SPHINGOMYELIN palmitoleoyl sphingomyelin* Lipid
## 306 PALMITOYLCARNITINE palmitoylcarnitine Lipid
## 307 PALMITOYL_ARACHIDONOYL_GPPC_1 palmitoyl-arachidonoyl-glycerophosphocholine (1)* Lipid
## 308 PALMITOYL_ARACHIDONOYL_GPPC_2 palmitoyl-arachidonoyl-glycerophosphocholine (2)* Lipid
## 309 PALMITOYL_ETHANOLAMIDE palmitoyl ethanolamide Lipid
## 310 PALMITOYL_LINOLEOYL_GPPC_1 palmitoyl-linoleoyl-glycerophosphocholine (1)* Lipid
## 311 PALMITOYL_LINOLEOYL_GPPC_2 palmitoyl-linoleoyl-glycerophosphocholine (2)* Lipid
## 312 PALMITOYL_LINOLEOYL_GPPI_1 palmitoyl-linoleoyl-glycerophosphoinositol (1)* Lipid
## 313 PALMITOYL_OLEOYL_GPPC_1 palmitoyl-oleoyl-glycerophosphocholine (1)* Lipid
## 314 PALMITOYL_OLEOYL_GPPG_2 palmitoyl-oleoyl-glycerophosphoglycerol (2)* Lipid
## 315 PALMITOYL_PALMITOYL_GPPC_1 palmitoyl-palmitoyl-glycerophosphocholine (1)* Lipid
## 316 PALMITOYL_PALMITOYL_GPPC_2 palmitoyl-palmitoyl-glycerophosphocholine (2)* Lipid
## 317 PALMITOYL_SPHINGOMYELIN palmitoyl sphingomyelin Lipid
## 318 PANTOTHENATE pantothenate Cofactors and Vitamins
## 319 PARAXANTHINE paraxanthine Xenobiotics
## 320 PELARGONATE__9_0_ pelargonate (9:0) Lipid
## 321 PENTADECANOATE__15_0_ pentadecanoate (15:0) Lipid
## 322 PHENOL_SULFATE phenol sulfate Amino Acid
## 323 PHENYLACETATE phenylacetate Amino Acid
## 324 PHENYLACETYLGLUTAMINE phenylacetylglutamine Amino Acid
## 325 PHENYLACETYLGLYCINE phenylacetylglycine Amino Acid
## 326 PHENYLALANINE phenylalanine Amino Acid
## 327 PHENYLALANYLGLYCINE phenylalanylglycine Peptide
## 328 PHENYLCARNITINE phenylcarnitine* Xenobiotics
## 329 PHENYLLACTATE__PLA_ phenyllactate (PLA) Amino Acid
## 330 PHENYLPYRUVATE phenylpyruvate Amino Acid
## 331 PHOSPHATE phosphate Energy
## 332 PHOSPHOETHANOLAMINE phosphoethanolamine Lipid
## 333 PICOLINATE picolinate Amino Acid
## 334 PIMELATE__HEPTANEDIOATE_ pimelate (heptanedioate) Lipid
## 335 PIPECOLATE pipecolate Amino Acid
## 336 PIPERINE piperine Xenobiotics
## 337 PREGNANEDIOL_3_GLUCURONIDE pregnanediol-3-glucuronide Lipid
## 338 PREGNANOLONE_ALLOPREGNANOLONE pregnanolone/allopregnanolone sulfate Lipid
## 339 PREGNENOLONE_SULFATE pregnenolone sulfate Lipid
## 340 PREGNEN_DIOL_DISULFATE pregnen-diol disulfate* Lipid
## 341 PREGN_STEROID_MONOSULFATE pregn steroid monosulfate* Lipid
## 342 PROLINE proline Amino Acid
## 343 PROLYLGLYCINE prolylglycine Peptide
## 344 PROPIONYLCARNITINE propionylcarnitine Lipid
## 345 PROPIONYLGLYCINE propionylglycine Lipid
## 346 PROPYL_4_HYDROXYBENZOATE_SULF propyl 4-hydroxybenzoate sulfate Xenobiotics
## 347 PRO_HYDROXY_PRO pro-hydroxy-pro Amino Acid
## 348 PSEUDOURIDINE pseudouridine Nucleotide
## 349 PYRIDOXAL pyridoxal Cofactors and Vitamins
## 350 PYRIDOXATE pyridoxate Cofactors and Vitamins
## 351 PYROGLUTAMINE pyroglutamine* Amino Acid
## 352 PYRRALINE pyrraline Xenobiotics
## 353 PYRUVATE pyruvate Carbohydrate
## 354 P_CRESOL_GLUCURONIDE p-cresol-glucuronide* Amino Acid
## 355 P_CRESOL_SULFATE p-cresol sulfate Amino Acid
## 356 QUINATE quinate Xenobiotics
## 357 QUINOLINATE quinolinate Cofactors and Vitamins
## 358 RIBITOL ribitol Carbohydrate
## 359 RIBOFLAVIN__VITAMIN_B2_ riboflavin (Vitamin B2) Cofactors and Vitamins
## 360 RIBONATE ribonate Carbohydrate
## 361 SACCHARIN saccharin Xenobiotics
## 362 SALICYLATE salicylate Xenobiotics
## 363 SALICYLURIC_GLUCURONIDE salicyluric glucuronide* Xenobiotics
## 364 SARCOSINE__N_METHYLGLYCINE_ sarcosine (N-Methylglycine) Amino Acid
## 365 SCYLLO_INOSITOL scyllo-inositol Lipid
## 366 SEBACATE__DECANEDIOATE_ sebacate (decanedioate) Lipid
## 367 SERINE serine Amino Acid
## 368 SEROTONIN__5HT_ serotonin (5HT) Amino Acid
## 369 SORBITOL sorbitol Carbohydrate
## 370 SPERMIDINE spermidine Amino Acid
## 371 SPHINGOSINE_1_PHOSPHATE sphingosine 1-phosphate Lipid
## 372 STACHYDRINE stachydrine Xenobiotics
## 373 STEARATE__18_0_ stearate (18:0) Lipid
## 374 STEARIDONATE__18_4N3_ stearidonate (18:4n3) Lipid
## 375 STEAROYLCARNITINE stearoylcarnitine Lipid
## 376 STEAROYL_ARACHIDONOYL_GPPC_1 stearoyl-arachidonoyl-glycerophosphocholine (1)* Lipid
## 377 STEAROYL_ARACHIDONOYL_GPPC_2 stearoyl-arachidonoyl-glycerophosphocholine (2)* Lipid
## 378 STEAROYL_ARACHIDONOYL_GPPE_1 stearoyl-arachidonoyl-glycerophosphoethanolamine (1)* Lipid
## 379 STEAROYL_ARACHIDONOYL_GPPI_1 stearoyl-arachidonoyl-glycerophosphoinositol (1)* Lipid
## 380 STEAROYL_LINOLEOYL_GPPC_1 stearoyl-linoleoyl-glycerophosphocholine (1)* Lipid
## 381 STEAROYL_LINOLEOYL_GPPC_2 stearoyl-linoleoyl-glycerophosphocholine (2)* Lipid
## 382 STEAROYL_LINOLEOYL_GPPE_1 stearoyl-linoleoyl-glycerophosphoethanolamine (1)* Lipid
## 383 STEAROYL_SPHINGOMYELIN stearoyl sphingomyelin Lipid
## 384 SUCCINATE succinate Energy
## 385 SUCCINYLCARNITINE succinylcarnitine Energy
## 386 SUCROSE sucrose Carbohydrate
## 387 SULFATE sulfate* Xenobiotics
## 388 S_ADENOSYLHOMOCYSTEINE__SAH_ S-adenosylhomocysteine (SAH) Amino Acid
## 389 S_ALLYLCYSTEINE S-allylcysteine Xenobiotics
## 390 S_METHYLCYSTEINE S-methylcysteine Amino Acid
## 391 S__3_HYDROXYPROPYL_MERCAPTURI S-(3-hydroxypropyl)mercapturic acid (HPMA) Xenobiotics
## 392 TARTARATE tartarate Xenobiotics
## 393 TARTRONATE__HYDROXYMALONATE_ tartronate (hydroxymalonate) Xenobiotics
## 394 TAURINE taurine Amino Acid
## 395 TAUROCHENODEOXYCHOLATE taurochenodeoxycholate Lipid
## 396 TAUROCHOLATE taurocholate Lipid
## 397 TAUROCHOLENATE_SULFATE taurocholenate sulfate Lipid
## 398 TAURODEOXYCHOLATE taurodeoxycholate Lipid
## 399 TAUROLITHOCHOLATE taurolithocholate Lipid
## 400 TAUROURSODEOXYCHOLATE tauroursodeoxycholate Lipid
## 401 TAURO_BETA_MURICHOLATE tauro-beta-muricholate Lipid
## 402 THEANINE theanine Xenobiotics
## 403 THEOBROMINE theobromine Xenobiotics
## 404 THEOPHYLLINE theophylline Xenobiotics
## 405 THREITOL threitol Carbohydrate
## 406 THREONATE threonate Cofactors and Vitamins
## 407 THREONINE threonine Amino Acid
## 408 THREONYLPHENYLALANINE threonylphenylalanine Peptide
## 409 THYMOL_SULFATE thymol sulfate Xenobiotics
## 410 THYROXINE thyroxine Amino Acid
## 411 TIGLOYLGLYCINE tigloylglycine Amino Acid
## 412 TIGLYL_CARNITINE tiglyl carnitine Amino Acid
## 413 TRANS_4_HYDROXYPROLINE trans-4-hydroxyproline Amino Acid
## 414 TRANS_UROCANATE trans-urocanate Amino Acid
## 415 TRIGONELLINE__N__METHYLNICOTI trigonelline (N'-methylnicotinate) Cofactors and Vitamins
## 416 TRIMETHYLAMINE_N_OXIDE trimethylamine N-oxide Lipid
## 417 TRYPTOPHAN tryptophan Amino Acid
## 418 TRYPTOPHAN_BETAINE tryptophan betaine Amino Acid
## 419 TYRAMINE_O_SULFATE tyramine O-sulfate Amino Acid
## 420 TYROSINE tyrosine Amino Acid
## 421 UMBELLIFERONE_SULFATE umbelliferone sulfate Xenobiotics
## 422 UNDECANEDIOATE undecanedioate Lipid
## 423 URACIL uracil Nucleotide
## 424 URATE urate Nucleotide
## 425 UREA urea Amino Acid
## 426 URIDINE uridine Nucleotide
## 427 URSODEOXYCHOLATE ursodeoxycholate Lipid
## 428 VALERYLCARNITINE valerylcarnitine Lipid
## 429 VALINE valine Amino Acid
## 430 VALYLGLYCINE valylglycine Peptide
## 431 VALYLLEUCINE valylleucine Peptide
## 432 VANILLIC_ALCOHOL_SULFATE vanillic alcohol sulfate Amino Acid
## 433 VANILLYLMANDELATE__VMA_ vanillylmandelate (VMA) Amino Acid
## 434 XANTHINE xanthine Nucleotide
## 435 XANTHOSINE xanthosine Nucleotide
## 436 XANTHURENATE xanthurenate Amino Acid
## 437 XYLITOL xylitol Carbohydrate
## 438 _10_HEPTADECENOATE__17_1N7_ 10-heptadecenoate (17:1n7) Lipid
## 439 _10_NONADECENOATE__19_1N9_ 10-nonadecenoate (19:1n9) Lipid
## 440 _10_UNDECENOATE__11_1N1_ 10-undecenoate (11:1n1) Lipid
## 441 _11_DEHYDROCORTICOSTERONE 11-dehydrocorticosterone Lipid
## 442 _11_KETOETIOCHOLANOLONE_GLUCU 11-ketoetiocholanolone glucuronide Lipid
## 443 _12_13_DIHOME 12,13-DiHOME Lipid
## 444 _13_HODE___9_HODE 13-HODE + 9-HODE Lipid
## 445 _15_METHYLPALMITATE__ISOBAR_W 15-methylpalmitate (isobar with 2-methylpalmitate) Lipid
## 446 _16_HYDROXYPALMITATE 16-hydroxypalmitate Lipid
## 447 _17_METHYLSTEARATE 17-methylstearate Lipid
## 448 _1_2_3_BENZENETRIOL_SULFATE_2 1,2,3-benzenetriol sulfate (2) Xenobiotics
## 449 _1_2_DIPALMITOYLGLYCEROL 1,2-dipalmitoylglycerol Lipid
## 450 _1_2_PROPANEDIOL 1,2-propanediol Xenobiotics
## 451 _1_3_7_TRIMETHYLURATE 1,3,7-trimethylurate Xenobiotics
## 452 _1_3_DIMETHYLURATE 1,3-dimethylurate Xenobiotics
## 453 _1_3_DIPALMITOYLGLYCEROL 1,3-dipalmitoylglycerol Lipid
## 454 _1_5_ANHYDROGLUCITOL__1_5_AG_ 1,5-anhydroglucitol (1,5-AG) Carbohydrate
## 455 _1_6_ANHYDROGLUCOSE 1,6-anhydroglucose Xenobiotics
## 456 _1_7_DIMETHYLURATE 1,7-dimethylurate Xenobiotics
## 457 _1_ARACHIDONOYLGLYCEROPHOSCHO 1-arachidonoylglycerophosphocholine (20:4n6)* Lipid
## 458 _1_ARACHIDONOYLGLYCEROPHOSETH 1-arachidonoylglycerophosphoethanolamine* Lipid
## 459 _1_ARACHIDONOYLGLYCEROPHOSINO 1-arachidonoylglycerophosphoinositol* Lipid
## 460 _1_ARACHIDONOYLGLYERCOPHOSPHA 1-arachidonoylglyercophosphate Lipid
## 461 _1_ARACHIDONYLGLYCEROL 1-arachidonylglycerol Lipid
## 462 _1_DIHOMO_LINOLENYLGLYCEROL__ 1-dihomo-linolenylglycerol (alpha, gamma) Lipid
## 463 _1_DOCOSAHEXAENOYLGLYCEROL 1-docosahexaenoylglycerol Lipid
## 464 _1_LINOLENOYLGLYCEROL 1-linolenoylglycerol Lipid
## 465 _1_LINOLENOYLGLYCEROPHOSPHOCH 1-linolenoylglycerophosphocholine (18:3n3)* Lipid
## 466 _1_LINOLEOYLGLYCERO 1-linoleoylglycerol (1-monolinolein) Lipid
## 467 _1_LINOLEOYLGLYCEROPHOSPHOCHO 1-linoleoylglycerophosphocholine (18:2n6) Lipid
## 468 _1_LINOLEOYLGLYCEROPHOSPHOETH 1-linoleoylglycerophosphoethanolamine* Lipid
## 469 _1_LINOLEOYLGLYCEROPHOSPHOINO 1-linoleoylglycerophosphoinositol* Lipid
## 470 _1_METHYLHISTIDINE 1-methylhistidine Amino Acid
## 471 _1_METHYLIMIDAZOLEACETATE 1-methylimidazoleacetate Amino Acid
## 472 _1_METHYLNICOTINAMIDE 1-methylnicotinamide Cofactors and Vitamins
## 473 _1_METHYLURATE 1-methylurate Xenobiotics
## 474 _1_METHYLXANTHINE 1-methylxanthine Xenobiotics
## 475 _1_MYRISTOYLGLYCEROL 1-myristoylglycerol (1-monomyristin) Lipid
## 476 _1_OLEOYLGLYCERO 1-oleoylglycerol (1-monoolein) Lipid
## 477 _1_OLEOYLGLYCEROPHOSPHOCHOLIN 1-oleoylglycerophosphocholine (18:1) Lipid
## 478 _1_OLEOYLGLYCEROPHOSPHOETHANO 1-oleoylglycerophosphoethanolamine Lipid
## 479 _1_OLEOYLGLYCEROPHOSPHOGLYCER 1-oleoylglycerophosphoglycerol* Lipid
## 480 _1_OLEOYLGLYCEROPHOSPHOINOSIT 1-oleoylglycerophosphoinositol* Lipid
## 481 _1_OLEOYLPLASMENYLETHANOLAMIN 1-oleoylplasmenylethanolamine* Lipid
## 482 _1_PALMITOLEOYLGLYCEROPHOSPHO 1-palmitoleoylglycerophosphocholine (16:1)* Lipid
## 483 _1_PALMITOYLGLYCEROL 1-palmitoylglycerol (1-monopalmitin) Lipid
## 484 _1_PALMITOYLGLYCEROPHOSPHATE 1-palmitoylglycerophosphate Lipid
## 485 _1_PALMITOYLGLYCEROPHOSPHOCHO 1-palmitoylglycerophosphocholine (16:0) Lipid
## 486 _1_PALMITOYLGLYCEROPHOSPHOETH 1-palmitoylglycerophosphoethanolamine Lipid
## 487 _1_PALMITOYLGLYCEROPHOSPHOGLY 1-palmitoylglycerophosphoglycerol* Lipid
## 488 _1_PALMITOYLGLYCEROPHOSPHOINO 1-palmitoylglycerophosphoinositol* Lipid
## 489 _1_PALMITOYLPLASMENYLETHANOLA 1-palmitoylplasmenylethanolamine* Lipid
## 490 _1_STEAROYLGLYCEROPHOSPHOCHOL 1-stearoylglycerophosphocholine (18:0) Lipid
## 491 _1_STEAROYLGLYCEROPHOSPHOETHA 1-stearoylglycerophosphoethanolamine Lipid
## 492 _1_STEAROYLGLYCEROPHOSPHOINOS 1-stearoylglycerophosphoinositol Lipid
## 493 _1_STEAROYLPLASMENYLETHANOLAM 1-stearoylplasmenylethanolamine* Lipid
## 494 _21_HYDROXYPREGNENOLONE_DISUL 21-hydroxypregnenolone disulfate Lipid
## 495 _2_3_DIHYDROXYISOVALERATE 2,3-dihydroxyisovalerate Xenobiotics
## 496 _2_AMINOADIPATE 2-aminoadipate Amino Acid
## 497 _2_AMINOBUTYRATE 2-aminobutyrate Amino Acid
## 498 _2_AMINOHEPTANOATE 2-aminoheptanoate Lipid
## 499 _2_AMINOOCTANOATE 2-aminooctanoate Lipid
## 500 _2_AMINOPHENOL_SULFATE 2-aminophenol sulfate Xenobiotics
## 501 _2_ARACHIDONOYL_GLYCEROL 2-arachidonoyl glycerol Lipid
## 502 _2_ETHYLHEXANOATE 2-ethylhexanoate Xenobiotics
## 503 _2_ETHYLPHENYLSULFATE 2-ethylphenylsulfate Xenobiotics
## 504 _2_HYDROXYACETAMINOPHEN_SULFA 2-hydroxyacetaminophen sulfate* Xenobiotics
## 505 _2_HYDROXYADIPATE 2-hydroxyadipate Lipid
## 506 _2_HYDROXYBUTYRATE__AHB_ 2-hydroxybutyrate (AHB) Amino Acid
## 507 _2_HYDROXYDECANOATE 2-hydroxydecanoate Lipid
## 508 _2_HYDROXYGLUTARATE 2-hydroxyglutarate Lipid
## 509 _2_HYDROXYHIPPURATE__SALICYLU 2-hydroxyhippurate (salicylurate) Xenobiotics
## 510 _2_HYDROXYISOBUTYRATE 2-hydroxyisobutyrate Xenobiotics
## 511 _2_HYDROXYOCTANOATE 2-hydroxyoctanoate Lipid
## 512 _2_HYDROXYPALMITATE 2-hydroxypalmitate Lipid
## 513 _2_HYDROXYPHENYLACETATE 2-hydroxyphenylacetate Amino Acid
## 514 _2_HYDROXYSTEARATE 2-hydroxystearate Lipid
## 515 _2_HYDROXY_3_METHYLVALERATE 2-hydroxy-3-methylvalerate Amino Acid
## 516 _2_ISOPROPYLMALATE 2-isopropylmalate Xenobiotics
## 517 _2_LINOLEOYLGLYCEROL__2_MONOL 2-linoleoylglycerol (2-monolinolein) Lipid
## 518 _2_METHOXYACETAMINOPHEN_GLUCU 2-methoxyacetaminophen glucuronide* Xenobiotics
## 519 _2_METHOXYACETAMINOPHEN_SULFA 2-methoxyacetaminophen sulfate* Xenobiotics
## 520 _2_METHYLBUTYRYLCARNITINE 2-methylbutyrylcarnitine (C5) Amino Acid
## 521 _2_METHYLMALONYL_CARNITINE 2-methylmalonyl carnitine Lipid
## 522 _2_METHYOXYRESORCINOL_SULFATE 2-methyoxyresorcinol sulfate Xenobiotics
## 523 _2_OXINDOLE_3_ACETATE 2-oxindole-3-acetate Xenobiotics
## 524 _2_PALMITOLEOYLGLYCEROPHOSPHO 2-palmitoleoylglycerophosphocholine* Lipid
## 525 _2_PALMITOYLGLYCEROPHOSPHOCHO 2-palmitoylglycerophosphocholine* Lipid
## 526 _2_PIPERIDINONE 2-piperidinone Xenobiotics
## 527 _2_PYRROLIDINONE 2-pyrrolidinone Xenobiotics
## 528 _2_STEAROYLGLYCEROPHOSPHOCHOL 2-stearoylglycerophosphocholine* Lipid
## 529 _2_STEAROYLGLYCEROPHOSPHOETHA 2-stearoylglycerophosphoethanolamine* Lipid
## 530 _2__DEOXYURIDINE 2'-deoxyuridine Nucleotide
## 531 _3B_HYDROXY_5_CHOLENOIC_ACID 3b-hydroxy-5-cholenoic acid Lipid
## 532 _3_7_DIMETHYLURATE 3,7-dimethylurate Xenobiotics
## 533 _3_AMINOISOBUTYRATE 3-aminoisobutyrate Nucleotide
## 534 _3_ETHYLPHENYLSULFATE 3-ethylphenylsulfate Xenobiotics
## 535 _3_HYDROXYBUTYRATE__BHBA_ 3-hydroxybutyrate (BHBA) Lipid
## 536 _3_HYDROXYDECANOATE 3-hydroxydecanoate Lipid
## 537 _3_HYDROXYHIPPURATE 3-hydroxyhippurate Xenobiotics
## 538 _3_HYDROXYINDOLIN_2_ONE 3-hydroxyindolin-2-one Xenobiotics
## 539 _3_HYDROXYISOBUTYRATE 3-hydroxyisobutyrate Amino Acid
## 540 _3_HYDROXYLAURATE 3-hydroxylaurate Lipid
## 541 _3_HYDROXYOCTANOATE 3-hydroxyoctanoate Lipid
## 542 _3_HYDROXYPYRIDINE_SULFATE 3-hydroxypyridine sulfate Xenobiotics
## 543 _3_HYDROXYSEBACATE 3-hydroxysebacate Lipid
## 544 _3_HYDROXY_2_ETHYLPROPIONATE 3-hydroxy-2-ethylpropionate Amino Acid
## 545 _3_HYDROXY_3_METHYLGLUTARATE 3-hydroxy-3-methylglutarate Lipid
## 546 _3_INDOXYL_SULFATE 3-indoxyl sulfate Amino Acid
## 547 _3_METHOXYCATECHOL_SULFATE_1 3-methoxycatechol sulfate (1) Xenobiotics
## 548 _3_METHOXYCATECHOL_SULFATE_2 3-methoxycatechol sulfate (2) Xenobiotics
## 549 _3_METHOXYTYRAMINE_SULFATE 3-methoxytyramine sulfate Amino Acid
## 550 _3_METHOXYTYROSINE 3-methoxytyrosine Amino Acid
## 551 _3_METHYLADIPATE 3-methyladipate Lipid
## 552 _3_METHYLGLUTACONATE 3-methylglutaconate Amino Acid
## 553 _3_METHYLGLUTARYLCARNITINE_2 3-methylglutarylcarnitine (2) Amino Acid
## 554 _3_METHYLHISTIDINE 3-methylhistidine Amino Acid
## 555 _3_METHYLXANTHINE 3-methylxanthine Xenobiotics
## 556 _3_METHYL_2_OXOBUTYRATE 3-methyl-2-oxobutyrate Amino Acid
## 557 _3_METHYL_2_OXOVALERATE 3-methyl-2-oxovalerate Amino Acid
## 558 _3_METHYL_CATECHOL_SULFATE_1 3-methyl catechol sulfate (1) Xenobiotics
## 559 _3_METHYL_CATECHOL_SULFATE_2 3-methyl catechol sulfate (2) Xenobiotics
## 560 _3_PHENYLPROPIONATE 3-phenylpropionate (hydrocinnamate) Amino Acid
## 561 _3_UREIDOPROPIONATE 3-ureidopropionate Nucleotide
## 562 _3__3_HYDROXYPHENYL_PROPIONAT 3-(3-hydroxyphenyl)propionate Amino Acid
## 563 _3__3__SULFOOXY_PHENYL_PROPAN 3-[3-(sulfooxy)phenyl]propanoic acid Amino Acid
## 564 _3__4_HYDROXYPHENYL_LACTATE 3-(4-hydroxyphenyl)lactate Amino Acid
## 565 _3__4_HYDROXYPHENYL_PROPIONAT 3-(4-hydroxyphenyl)propionate Amino Acid
## 566 _3__CYSTEIN_S_YL_ACETAMINOPHE 3-(cystein-S-yl)acetaminophen* Xenobiotics
## 567 _3__N_ACETYL_L_CYSTEIN_S_YL_ 3-(N-acetyl-L-cystein-S-yl) acetaminophen Xenobiotics
## 568 _4_ACETAMIDOBUTANOATE 4-acetamidobutanoate Amino Acid
## 569 _4_ACETAMIDOPHENOL 4-acetamidophenol Xenobiotics
## 570 _4_ACETAMIDOPHENYLGLUCURONIDE 4-acetamidophenylglucuronide Xenobiotics
## 571 _4_ACETAMINOPHEN_SULFATE 4-acetaminophen sulfate Xenobiotics
## 572 _4_ACETYLPHENOL_SULFATE 4-acetylphenol sulfate Xenobiotics
## 573 _4_ALLYLPHENOL_SULFATE 4-allylphenol sulfate Xenobiotics
## 574 _4_ANDROSTEN_3ALPHA_17ADM_2 4-androsten-3alpha,17alpha-diol monosulfate (2) Lipid
## 575 _4_ANDROSTEN_3ALPHA_17ADM_3 4-androsten-3alpha,17alpha-diol monosulfate (3) Lipid
## 576 _4_ANDROSTEN_3BETA_17BDM_2 4-androsten-3beta,17beta-diol monosulfate (2) Lipid
## 577 _4_ANDROSTEN_3BETA_17BETA_D_1 4-androsten-3beta,17beta-diol disulfate (1) Lipid
## 578 _4_ANDROSTEN_3BETA_17BETA_D_2 4-androsten-3beta,17beta-diol disulfate (2) Lipid
## 579 _4_ETHYLPHENYLSULFATE 4-ethylphenylsulfate Xenobiotics
## 580 _4_GUANIDINOBUTANOATE 4-guanidinobutanoate Amino Acid
## 581 _4_HYDROXYCHLOROTHALONIL 4-hydroxychlorothalonil Xenobiotics
## 582 _4_HYDROXYHIPPURATE 4-hydroxyhippurate Xenobiotics
## 583 _4_HYDROXYPHENYLACETATE 4-hydroxyphenylacetate Amino Acid
## 584 _4_HYDROXYPHENYLPYRUVATE 4-hydroxyphenylpyruvate Amino Acid
## 585 _4_IMIDAZOLEACETATE 4-imidazoleacetate Amino Acid
## 586 _4_METHYLCATECHOL_SULFATE 4-methylcatechol sulfate Xenobiotics
## 587 _4_METHYL_2_OXOPENTANOATE 4-methyl-2-oxopentanoate Amino Acid
## 588 _4_VINYLGUAIACOL_SULFATE 4-vinylguaiacol sulfate Xenobiotics
## 589 _4_VINYLPHENOL_SULFATE 4-vinylphenol sulfate Xenobiotics
## 590 _5ALPHA_ANDROSTAN_3BETA_17ALP 5alpha-androstan-3beta,17alpha-diol disulfate Lipid
## 591 _5ALPHA_ANDROSTAN_3BETA_17BET 5alpha-androstan-3beta,17beta-diol disulfate Lipid
## 592 _5ALPHA_PREGNAN_3AORB_20BDD 5alpha-pregnan-3(alpha or beta),20beta-diol disulfate Lipid
## 593 _5ALPHA_PREGNAN_3BETA_20ADD 5alpha-pregnan-3beta,20alpha-diol disulfate Lipid
## 594 _5ALPHA_PREGNAN_3BETA_20ADM2 5alpha-pregnan-3beta,20alpha-diol monosulfate (2) Lipid
## 595 _5A_ANDROSTAN_3A_17BDD 5alpha-androstan-3alpha,17beta-diol disulfate Lipid
## 596 _5A_ANDROSTAN_3A_17BDM1 5alpha-androstan-3alpha,17beta-diol monosulfate (1) Lipid
## 597 _5A_ANDROSTAN_3B_17BDM1 5alpha-androstan-3beta,17beta-diol monosulfate (1) Lipid
## 598 _5_6_DIHYDROTHYMINE 5,6-dihydrothymine Nucleotide
## 599 _5_6_DIHYDROURACIL 5,6-dihydrouracil Nucleotide
## 600 _5_ACETYLAMINO_6_AMINO_3_METH 5-acetylamino-6-amino-3-methyluracil Xenobiotics
## 601 _5_DODECENOATE__12_1N7_ 5-dodecenoate (12:1n7) Lipid
## 602 _5_HYDROXYHEXANOATE 5-hydroxyhexanoate Lipid
## 603 _5_HYDROXYINDOLEACETATE 5-hydroxyindoleacetate Amino Acid
## 604 _5_METHYLTHIOADENOSINE__MTA_ 5-methylthioadenosine (MTA) Amino Acid
## 605 _5_METHYLURIDINE__RIBOTHYMIDI 5-methyluridine (ribothymidine) Nucleotide
## 606 _5_OXOPROLINE 5-oxoproline Amino Acid
## 607 _6_OXOPIPERIDINE_2_CARBOXYLIC 6-oxopiperidine-2-carboxylic acid Xenobiotics
## 608 _7_HOCA 7-alpha-hydroxy-3-oxo-4-cholestenoate (7-Hoca) Lipid
## 609 _7_METHYLGUANINE 7-methylguanine Nucleotide
## 610 _7_METHYLURATE 7-methylurate Xenobiotics
## 611 _7_METHYLXANTHINE 7-methylxanthine Xenobiotics
## SUB_PATHWAY COMP_ID PLATFORM PUBCHEM HMDB_ID
## 1 Ketone Bodies 33963 GC/MS 96 HMDB00060
## 2 Fatty Acid Metabolism(Acyl Carnitine) 32198 LC/MS Pos 1 HMDB00201
## 3 Polyamine Metabolism 43258 LC/MS Pos 129397 <NA>
## 4 Purine Metabolism, Adenine containing 554 LC/MS Pos 190 HMDB00034
## 5 Purine Metabolism, Adenine containing 555 LC/MS Pos 60961 HMDB00050
## 6 Polyunsaturated Fatty Acid (n3 and n6) 32980 LC/MS Neg 5497181 HMDB02226
## 7 Fibrinogen Cleavage Peptide 33084 LC/MS Pos 16133137 <NA>
## 8 Alanine and Aspartate Metabolism 1126 LC/MS Pos 5950 HMDB00161
## 9 Dipeptide 37093 LC/MS Pos 259583 HMDB28691
## 10 Purine Metabolism, (Hypo)Xanthine/Inosine containing 1107 LC/MS Polar 204 HMDB00462
## 11 Food Component/Plant 41494 LC/MS Pos 87310 HMDB33592
## 12 Leucine, Isoleucine and Valine Metabolism 47034 GC/MS 6950182;99288 <NA>
## 13 Glycine, Serine and Threonine Metabolism 15142 LC/MS Polar 99289 HMDB04041
## 14 Tocopherol Metabolism 48188 LC/MS Neg 9943542 HMDB01518
## 15 Tocopherol Metabolism 39346 LC/MS Neg <NA> <NA>
## 16 Tocopherol Metabolism 47666 LC/MS Neg <NA> <NA>
## 17 Fatty Acid, Monohydroxy 37073 LC/MS Neg 99824 HMDB01624
## 18 Leucine, Isoleucine and Valine Metabolism 22132 LC/MS Neg 83697 HMDB00746
## 19 Leucine, Isoleucine and Valine Metabolism 33937 LC/MS Neg 99823 HMDB00407
## 20 Methionine, Cysteine, SAM and Taurine Metabolism 4968 LC/MS Polar 58 HMDB00005
## 21 TCA Cycle 528 LC/MS Polar 51 HMDB00208
## 22 Tocopherol Metabolism 1561 GC/MS 14985 HMDB01893
## 23 Steroid 31591 LC/MS Neg 159663 HMDB02759
## 24 Steroid 32827 LC/MS Neg <NA> HMDB02759
## 25 Pentose Metabolism 575 GC/MS 66308 HMDB00646
## 26 Pentose Metabolism 38075 GC/MS 94154 HMDB01851
## 27 Ascorbate and Aldarate Metabolism 37516 GC/MS 122045 HMDB00539
## 28 Long Chain Fatty Acid 1118 LC/MS Neg 10467 HMDB02212
## 29 Polyunsaturated Fatty Acid (n3 and n6) 1110 LC/MS Neg 444899 HMDB01043
## 30 Sphingolipid Metabolism 48490 LC/MS Polar <NA> <NA>
## 31 Urea cycle; Arginine and Proline Metabolism 1638 LC/MS Pos 232 HMDB00517
## 32 Ascorbate and Aldarate Metabolism 1640 GC/MS <NA> HMDB00044
## 33 Alanine and Aspartate Metabolism 512 LC/MS Polar 6267 HMDB00168
## 34 Alanine and Aspartate Metabolism 443 LC/MS Polar 5960 HMDB00191
## 35 Fatty Acid, Dicarboxylate 18362 LC/MS Neg 2266 HMDB00784
## 36 Benzoate Metabolism 15778 LC/MS Neg 243 HMDB01870
## 37 Glycine, Serine and Threonine Metabolism 3141 LC/MS Pos 247 HMDB00043
## 38 Pyrimidine Metabolism, Uracil containing 35838 GC/MS 239 HMDB00056
## 39 Leucine, Isoleucine and Valine Metabolism 12129 LC/MS Neg 69362 HMDB00754
## 40 Leucine, Isoleucine and Valine Metabolism 35433 LC/MS Pos <NA> <NA>
## 41 Sterol 27414 GC/MS 222284 HMDB00852
## 42 Tocopherol Metabolism 35702 GC/MS 6857447 HMDB06335
## 43 Food Component/Plant 38100 LC/MS Pos 164642 HMDB29412
## 44 Hemoglobin and Porphyrin Metabolism 32586 LC/MS Neg 5315454 <NA>
## 45 Hemoglobin and Porphyrin Metabolism 43807 LC/MS Neg 5280352 HMDB00054
## 46 Hemoglobin and Porphyrin Metabolism 2137 LC/MS Neg 5353439 HMDB01008
## 47 Polypeptide 22154 LC/MS Pos 439201 HMDB04246
## 48 Polypeptide 34420 LC/MS Pos 105044 HMDB04246
## 49 Fatty Acid Metabolism (also BCAA Metabolism) 32412 LC/MS Pos 439829 HMDB02013
## 50 Fatty Acid Metabolism (also BCAA Metabolism) 31850 LC/MS Neg 88412 HMDB00808
## 51 Xanthine Metabolism 569 LC/MS Pos 2519 HMDB01847
## 52 Purine Metabolism, Adenine containing 2831 LC/MS Neg 6076 HMDB00058
## 53 Sterol 39511 GC/MS 173183 HMDB02869
## 54 Medium Chain Fatty Acid 1642 LC/MS Neg 2969 HMDB00511
## 55 Medium Chain Fatty Acid 32489 LC/MS Neg 8892 HMDB00535
## 56 Medium Chain Fatty Acid 32492 LC/MS Neg 379 HMDB00482
## 57 Drug 43333 LC/MS Neg 10444113 <NA>
## 58 Carnitine Metabolism 15500 LC/MS Pos 10917 HMDB00062
## 59 Benzoate Metabolism 35320 LC/MS Neg 3083879 HMDB59724
## 60 Inositol Metabolism 37112 LC/MS Polar <NA> HMDB34220
## 61 Primary Bile Acid Metabolism 22842 LC/MS Neg 221493 HMDB00619
## 62 Sterol 63 GC/MS 11025495 HMDB00067
## 63 Phospholipid Metabolism 15506 LC/MS Pos 305 HMDB00097
## 64 Food Component/Plant 38637 LC/MS Neg 709625 HMDB11621
## 65 Fatty Acid Metabolism(Acyl Carnitine) 38178 LC/MS Pos <NA> <NA>
## 66 TCA Cycle 1564 LC/MS Neg 311 HMDB00094
## 67 Urea cycle; Arginine and Proline Metabolism 2132 LC/MS Pos 9750 HMDB00904
## 68 Fatty Acid, Dicarboxylate 31787 LC/MS Neg 123979 HMDB61112
## 69 Steroid 5983 LC/MS Pos 5753 HMDB01547
## 70 Steroid 1712 LC/MS Pos 5754 HMDB00063
## 71 Steroid 1769 LC/MS Pos 222786 HMDB02802
## 72 Creatine Metabolism 27718 LC/MS Pos 586 HMDB00064
## 73 Creatine Metabolism 513 LC/MS Pos 588 HMDB00562
## 74 Methionine, Cysteine, SAM and Taurine Metabolism 31453 GC/MS 5862 HMDB00574
## 75 Glutathione Metabolism 35159 LC/MS Pos 4247235 HMDB00656
## 76 Methionine, Cysteine, SAM and Taurine Metabolism 22176 LC/MS Neg 115015 HMDB00731
## 77 Methionine, Cysteine, SAM and Taurine Metabolism 56 LC/MS Pos 67678 HMDB00192
## 78 Glutathione Metabolism 18368 LC/MS Neg 333293 <NA>
## 79 Pyrimidine Metabolism, Cytidine containing 514 LC/MS Neg 6175 HMDB00089
## 80 Tryptophan Metabolism 48782 LC/MS Pos 10981970 <NA>
## 81 Food Component/Plant 48728 LC/MS Neg <NA> <NA>
## 82 Fatty Acid Metabolism(Acyl Carnitine) 33941 LC/MS Pos 10245190 HMDB00651
## 83 Tocopherol Metabolism 33418 GC/MS 92094 HMDB02902
## 84 Carnitine Metabolism 36747 LC/MS Pos 134 HMDB01161
## 85 Secondary Bile Acid Metabolism 46107 LC/MS Pos 440355 HMDB00626
## 86 Steroid 32425 LC/MS Neg 12594 HMDB01032
## 87 Polyunsaturated Fatty Acid (n3 and n6) 17805 LC/MS Neg 6439848 HMDB05060
## 88 Polyunsaturated Fatty Acid (n3 and n6) 35718 LC/MS Neg 5280581 HMDB02925
## 89 Food Component/Plant 40481 LC/MS Neg 14340 <NA>
## 90 Urea cycle; Arginine and Proline Metabolism 36808 LC/MS Pos 123831 HMDB01539
## 91 Glycine, Serine and Threonine Metabolism 5086 LC/MS Pos 673 HMDB00092
## 92 Chemical 43424 LC/MS Pos 6213 HMDB04983
## 93 Polyunsaturated Fatty Acid (n3 and n6) 32415 LC/MS Neg 5282807 HMDB61714
## 94 Polyunsaturated Fatty Acid (n3 and n6) 44675 LC/MS Neg 445580 HMDB02183
## 95 Polyunsaturated Fatty Acid (n3 and n6) 37478 LC/MS Neg 6441454 HMDB01976
## 96 Polyunsaturated Fatty Acid (n3 and n6) 32504 LC/MS Neg 6441454 HMDB01976
## 97 Fatty Acid, Dicarboxylate 32388 LC/MS Neg 12736 HMDB00623
## 98 Phenylalanine and Tyrosine Metabolism 48406 LC/MS Neg <NA> <NA>
## 99 Phenylalanine and Tyrosine Metabolism 48407 LC/MS Neg <NA> <NA>
## 100 Fibrinogen Cleavage Peptide 31548 LC/MS Pos <NA> <NA>
## 101 Polyunsaturated Fatty Acid (n3 and n6) 18467 LC/MS Neg 446284 HMDB01999
## 102 Long Chain Fatty Acid 33587 LC/MS Neg 5282768 HMDB02231
## 103 Sphingolipid Metabolism 48491 LC/MS Polar <NA> <NA>
## 104 Steroid 33973 LC/MS Neg <NA> HMDB00365
## 105 Food Component/Plant 37459 LC/MS Neg 3032311 HMDB03045
## 106 Long Chain Fatty Acid 1552 LC/MS Neg 5281116 HMDB02068
## 107 Food Component/Plant 20699 GC/MS 222285 HMDB02994
## 108 Aminosugar Metabolism 42420 LC/MS Polar 2781043 HMDB00613
## 109 Steroid 18474 LC/MS Neg 3001028 HMDB01425
## 110 Leucine, Isoleucine and Valine Metabolism 15765 LC/MS Polar 11756 HMDB00622
## 111 Chemical 39603 LC/MS Neg 152226 <NA>
## 112 Steroid 47112 LC/MS Neg <NA> <NA>
## 113 Food Component/Plant 48715 LC/MS Neg 180632 <NA>
## 114 Sphingolipid Metabolism 48493 LC/MS Polar <NA> <NA>
## 115 Food Component/Plant 47114 LC/MS Neg 6305574 HMDB29200
## 116 Fructose, Mannose and Galactose Metabolism 48195 LC/MS Polar 5984 HMDB00660
## 117 Pentose Metabolism 15821 GC/MS 19466 HMDB00174
## 118 TCA Cycle 1643 LC/MS Polar 444972 HMDB00134
## 119 Fructose, Mannose and Galactose Metabolism 27719 LC/MS Polar 128869 HMDB00565
## 120 Tocopherol Metabolism 44876 LC/MS Neg 133098 HMDB01931
## 121 Tocopherol Metabolism 42381 LC/MS Neg <NA> <NA>
## 122 Gamma-glutamyl Amino Acid 37063 LC/MS Pos 440103 HMDB29142
## 123 Gamma-glutamyl Amino Acid 36738 LC/MS Pos 92865 HMDB11737
## 124 Gamma-glutamyl Amino Acid 2730 LC/MS Pos 150914 HMDB11738
## 125 Gamma-glutamyl Amino Acid 34456 LC/MS Pos 14253342 HMDB11170
## 126 Gamma-glutamyl Amino Acid 18369 LC/MS Pos 151023 HMDB11171
## 127 Gamma-glutamyl Amino Acid 33934 LC/MS Pos 65254;14284565 HMDB03869
## 128 Gamma-glutamyl Amino Acid 44872 LC/MS Pos 7009567 HMDB29155
## 129 Gamma-glutamyl Amino Acid 33422 LC/MS Pos 111299 HMDB00594
## 130 Gamma-glutamyl Amino Acid 33364 LC/MS Pos <NA> HMDB29159
## 131 Gamma-glutamyl Amino Acid 33947 LC/MS Neg 3989307 HMDB29160
## 132 Gamma-glutamyl Amino Acid 2734 LC/MS Pos 94340 HMDB11741
## 133 Gamma-glutamyl Amino Acid 43829 LC/MS Pos 7015683 HMDB11172
## 134 Gamma-glutamyl Amino Acid 37092 LC/MS Pos <NA> <NA>
## 135 Tocopherol Metabolism 33420 GC/MS 14986 HMDB01492
## 136 Phenylalanine and Tyrosine Metabolism 18280 LC/MS Neg 3469 HMDB00152
## 137 Chemical 48729 LC/MS Neg 10914066 <NA>
## 138 Food Component/Plant 587 LC/MS Polar 10690 HMDB00625
## 139 Glycolysis, Gluconeogenesis, and Pyruvate Metabolism 48152 LC/MS Polar 79025 HMDB00122
## 140 Aminosugar Metabolism 15443 LC/MS Polar 444791 HMDB00127
## 141 Glutamate Metabolism 57 LC/MS Pos 611 HMDB00148
## 142 Glutamate Metabolism 53 LC/MS Pos 5961 HMDB00641
## 143 Dipeptide 42994 LC/MS Pos <NA> <NA>
## 144 Lysine Metabolism 396 LC/MS Polar 743 HMDB00661
## 145 Lysine Metabolism 44664 LC/MS Pos 71464488 HMDB13130
## 146 Glycolysis, Gluconeogenesis, and Pyruvate Metabolism 1572 LC/MS Polar 752 HMDB00139
## 147 Glycerolipid Metabolism 15122 LC/MS Neg 753 HMDB00131
## 148 Glycerolipid Metabolism 15365 GC/MS 754 HMDB00126
## 149 Phospholipid Metabolism 37455 LC/MS Polar 123874 HMDB00114
## 150 Phospholipid Metabolism 15990 LC/MS Pos 71920 HMDB00086
## 151 Glycine, Serine and Threonine Metabolism 58 LC/MS Pos 750 HMDB00123
## 152 Primary Bile Acid Metabolism 32346 LC/MS Neg 12544 HMDB00637
## 153 Primary Bile Acid Metabolism 18476 LC/MS Neg 10140 HMDB00138
## 154 Secondary Bile Acid Metabolism 32599 LC/MS Neg <NA> <NA>
## 155 Secondary Bile Acid Metabolism 18477 LC/MS Neg 3035026 HMDB00631
## 156 Secondary Bile Acid Metabolism 42574 LC/MS Neg <NA> <NA>
## 157 Secondary Bile Acid Metabolism 31912 LC/MS Neg 115245 HMDB00698
## 158 Secondary Bile Acid Metabolism 32620 LC/MS Neg 72222 HMDB02639
## 159 Secondary Bile Acid Metabolism 39379 LC/MS Neg 12310288 HMDB00708
## 160 Dipeptide 34398 LC/MS Pos 92843 HMDB00759
## 161 Dipeptide 18357 LC/MS Pos 97417 HMDB28854
## 162 Creatine Metabolism 43802 LC/MS Pos 763 HMDB00128
## 163 Guanidino and Acetamido Metabolism 32446 LC/MS Pos 97856 HMDB03157
## 164 Purine Metabolism, Guanine containing 1573 LC/MS Neg 6802 HMDB00133
## 165 Ascorbate and Aldarate Metabolism 46957 LC/MS Polar 9794176 <NA>
## 166 Hemoglobin and Porphyrin Metabolism 41754 LC/MS Pos 26945 HMDB03178
## 167 Medium Chain Fatty Acid 1644 LC/MS Neg 8094 HMDB00666
## 168 Fatty Acid, Dicarboxylate 35678 LC/MS Neg 10459 HMDB00672
## 169 Fatty Acid Metabolism(Acyl Carnitine) 32328 LC/MS Pos 6426853 HMDB00705
## 170 Fatty Acid Metabolism(Acyl Glycine) 35436 LC/MS Neg 99463 HMDB00701
## 171 Benzoate Metabolism 15753 LC/MS Pos 464 HMDB00714
## 172 Histidine Metabolism 59 LC/MS Neg 6274 HMDB00177
## 173 Dipeptide 42027 LC/MS Neg 351667 <NA>
## 174 Urea cycle; Arginine and Proline Metabolism 22137 LC/MS Polar 9085 HMDB00670
## 175 Urea cycle; Arginine and Proline Metabolism 22138 LC/MS Pos 65072 HMDB00679
## 176 Food Component/Plant 33009 LC/MS Pos 441447 HMDB33433
## 177 Polypeptide 32836 LC/MS Pos <NA> <NA>
## 178 Histidine Metabolism 40473 LC/MS Pos 782 HMDB01212
## 179 Drug 39625 LC/MS Neg 3639 HMDB01928
## 180 Drug 35322 LC/MS Neg 161220 HMDB02434
## 181 Fatty Acid Metabolism(Acyl Carnitine) 43264 LC/MS Pos 53481617 HMDB13127
## 182 Methionine, Cysteine, SAM and Taurine Metabolism 590 LC/MS Polar 107812 HMDB00965
## 183 Purine Metabolism, (Hypo)Xanthine/Inosine containing 3127 LC/MS Neg 790 HMDB00157
## 184 Drug 17799 LC/MS Pos 3672 HMDB01925
## 185 Histidine Metabolism 15716 LC/MS Neg 440129 HMDB02320
## 186 Histidine Metabolism 40730 LC/MS Pos 70630 HMDB02271
## 187 Tryptophan Metabolism 27513 LC/MS Pos 802 HMDB00197
## 188 Tryptophan Metabolism 42087 LC/MS Neg 25200879 HMDB13240
## 189 Tryptophan Metabolism 34402 LC/MS Pos 8617 HMDB02096
## 190 Tryptophan Metabolism 18349 LC/MS Pos 92904 HMDB00671
## 191 Tryptophan Metabolism 32405 LC/MS Pos 3744 HMDB02302
## 192 Tryptophan Metabolism 38116 LC/MS Neg 69867 HMDB03320
## 193 Food Component/Plant 43374 LC/MS Pos 321710 <NA>
## 194 Purine Metabolism, (Hypo)Xanthine/Inosine containing 1123 LC/MS Neg 6021 HMDB00195
## 195 Inositol Metabolism 1481 GC/MS 440194 HMDB00213
## 196 Leucine, Isoleucine and Valine Metabolism 33441 LC/MS Pos 168379 HMDB00736
## 197 Leucine, Isoleucine and Valine Metabolism 35437 LC/MS Neg 10855600 HMDB00730
## 198 Food Component/Plant 48997 LC/MS Neg <NA> <NA>
## 199 Leucine, Isoleucine and Valine Metabolism 1125 LC/MS Pos 6306 HMDB00172
## 200 Dipeptide 40008 LC/MS Pos 342532 <NA>
## 201 Leucine, Isoleucine and Valine Metabolism 44656 LC/MS Neg 10430 HMDB00718
## 202 Leucine, Isoleucine and Valine Metabolism 34407 LC/MS Pos 6426851 HMDB00688
## 203 Leucine, Isoleucine and Valine Metabolism 35107 LC/MS Neg 546304 HMDB00678
## 204 Hemoglobin and Porphyrin Metabolism 32426 LC/MS Neg 26818 HMDB04157
## 205 Tryptophan Metabolism 1417 LC/MS Neg 3845 HMDB00715
## 206 Tryptophan Metabolism 15140 LC/MS Pos 161166 HMDB00684
## 207 Glycolysis, Gluconeogenesis, and Pyruvate Metabolism 527 LC/MS Neg 612 HMDB00190
## 208 Disaccharides and Oligosaccharides 567 LC/MS Polar 84571 HMDB00186
## 209 Sterol 39864 GC/MS 65728 HMDB01170
## 210 Medium Chain Fatty Acid 1645 LC/MS Neg 3893 HMDB00638
## 211 Leucine, Isoleucine and Valine Metabolism 60 LC/MS Pos 6106 HMDB00687
## 212 Dipeptide 40045 LC/MS Pos 79070 <NA>
## 213 Food Component/Plant 22177 LC/MS Pos 11579 HMDB00720
## 214 Polyunsaturated Fatty Acid (n3 and n6) 1105 LC/MS Neg 5280450 HMDB00673
## 215 Polyunsaturated Fatty Acid (n3 and n6) 34035 LC/MS Neg 5280934 HMDB03073
## 216 Fatty Acid Metabolism(Acyl Carnitine) 46223 LC/MS Pos 6450015 HMDB06469
## 217 Lysine Metabolism 1301 LC/MS Polar 5962 HMDB00182
## 218 Hemoglobin and Porphyrin Metabolism 40173 LC/MS Pos 5280818 HMDB04159
## 219 TCA Cycle 1303 LC/MS Neg 525 HMDB00156
## 220 Fatty Acid, Dicarboxylate 20676 LC/MS Polar 444266 HMDB00176
## 221 Fatty Acid Synthesis 15872 LC/MS Polar 867 HMDB00691
## 222 Fatty Acid Synthesis 37059 LC/MS Pos 22833583 HMDB02095
## 223 Glycogen Metabolism 15586 LC/MS Polar 10991489 HMDB00163
## 224 Fructose, Mannose and Galactose Metabolism 15335 GC/MS 6251 HMDB00765
## 225 Fructose, Mannose and Galactose Metabolism 48153 LC/MS Polar 18950 HMDB00169
## 226 Long Chain Fatty Acid 1121 LC/MS Neg 10465 HMDB02259
## 227 Methionine, Cysteine, SAM and Taurine Metabolism 1302 LC/MS Pos 6137 HMDB00696
## 228 Methionine, Cysteine, SAM and Taurine Metabolism 44878 LC/MS Polar 69961 <NA>
## 229 Methionine, Cysteine, SAM and Taurine Metabolism 18374 LC/MS Polar 158980 HMDB02005
## 230 Leucine, Isoleucine and Valine Metabolism 15745 LC/MS Polar 10349 HMDB01844
## 231 Benzoate Metabolism 48429 LC/MS Neg <NA> <NA>
## 232 Food Component/Plant 46144 LC/MS Neg <NA> <NA>
## 233 Food Component/Plant 1584 LC/MS Pos 74706 HMDB29738
## 234 Inositol Metabolism 1124 LC/MS Polar 892 HMDB00211
## 235 Long Chain Fatty Acid 1365 LC/MS Neg 11005 HMDB00806
## 236 Long Chain Fatty Acid 32418 LC/MS Neg 5281119 HMDB02000
## 237 Sphingolipid Metabolism 47154 LC/MS Polar <NA> <NA>
## 238 Sphingolipid Metabolism 42463 LC/MS Polar 11433862 <NA>
## 239 Purine Metabolism, Adenine containing 15650 LC/MS Pos 27476 HMDB03331
## 240 Purine Metabolism, Guanine containing 31609 LC/MS Pos 96373 HMDB01563
## 241 Nicotinate and Nicotinamide Metabolism 40469 LC/MS Pos 69698 HMDB04193
## 242 Lysine Metabolism 36751 LC/MS Pos 92907 HMDB00446
## 243 Purine Metabolism, Guanine containing 35137 LC/MS Pos 92919 HMDB04824
## 244 Lysine Metabolism 36752 LC/MS Pos 92832 HMDB00206
## 245 Purine Metabolism, Adenine containing 35157 LC/MS Pos 161466 HMDB41623
## 246 Purine Metabolism, Adenine containing 37114 LC/MS Pos 102175 HMDB04044
## 247 Purine Metabolism, Adenine containing 48130 LC/MS Pos <NA> HMDB00912
## 248 Glutamate Metabolism 35665 LC/MS Pos 5255 HMDB01067
## 249 Drug 12122 LC/MS Neg 156391 HMDB01923
## 250 Sphingolipid Metabolism 47153 LC/MS Polar <NA> <NA>
## 251 Nicotinate and Nicotinamide Metabolism 594 LC/MS Pos 936 HMDB01406
## 252 Long Chain Fatty Acid 1356 LC/MS Neg 12591 HMDB00772
## 253 Lysine Metabolism 1498 LC/MS Pos 440120 HMDB01325
## 254 Alanine and Aspartate Metabolism 1585 LC/MS Neg 88064 HMDB00766
## 255 Food Component/Plant 45404 LC/MS Neg <NA> <NA>
## 256 Urea cycle; Arginine and Proline Metabolism 33953 LC/MS Pos 67427 HMDB04620
## 257 Alanine and Aspartate Metabolism 22185 LC/MS Polar 65065 HMDB00812
## 258 Dipeptide Derivative 43488 LC/MS Neg 9903482 HMDB12881
## 259 Urea cycle; Arginine and Proline Metabolism 48434 LC/MS Neg 656979 HMDB00856
## 260 Glutamate Metabolism 15720 LC/MS Pos 70914 HMDB01138
## 261 Glutamate Metabolism 33943 LC/MS Pos 182230 HMDB06029
## 262 Glycine, Serine and Threonine Metabolism 27710 LC/MS Neg 10972 HMDB00532
## 263 Histidine Metabolism 33946 LC/MS Neg 75619 HMDB32055
## 264 Leucine, Isoleucine and Valine Metabolism 33967 LC/MS Neg 2802421 <NA>
## 265 Tryptophan Metabolism 48757 LC/MS Pos <NA> <NA>
## 266 Leucine, Isoleucine and Valine Metabolism 1587 LC/MS Neg 70912 HMDB11756
## 267 Methionine, Cysteine, SAM and Taurine Metabolism 1589 LC/MS Neg 448580 HMDB11745
## 268 Aminosugar Metabolism 32377 LC/MS Polar 439197 HMDB00230
## 269 Phenylalanine and Tyrosine Metabolism 33950 LC/MS Neg 74839 HMDB00512
## 270 Polyamine Metabolism 37496 LC/MS Pos 122356 HMDB02064
## 271 Glycine, Serine and Threonine Metabolism 37076 LC/MS Polar 65249 HMDB02931
## 272 Methionine, Cysteine, SAM and Taurine Metabolism 48187 LC/MS Neg 159864 <NA>
## 273 Glycine, Serine and Threonine Metabolism 33939 LC/MS Neg 152204 <NA>
## 274 Tryptophan Metabolism 33959 LC/MS Neg 700653 HMDB13713
## 275 Phenylalanine and Tyrosine Metabolism 32390 LC/MS Neg 68310 HMDB00866
## 276 Leucine, Isoleucine and Valine Metabolism 1591 LC/MS Neg 66789 HMDB11757
## 277 Histidine Metabolism 43255 LC/MS Pos <NA> <NA>
## 278 Histidine Metabolism 43256 LC/MS Neg 193270 <NA>
## 279 Pyrimidine Metabolism, Uracil containing 37432 LC/MS Pos 76406 <NA>
## 280 Urea cycle; Arginine and Proline Metabolism 43249 LC/MS Pos 9920500 <NA>
## 281 Methionine, Cysteine, SAM and Taurine Metabolism 2829 LC/MS Neg 439750 HMDB01015
## 282 Fatty Acid Metabolism(Acyl Glycine) 32462 LC/MS Neg 6433346 <NA>
## 283 Chemical 47101 LC/MS Pos 11862129;11286529 <NA>
## 284 Urea cycle; Arginine and Proline Metabolism 37431 LC/MS Pos 557 <NA>
## 285 Endocannabinoid 39732 LC/MS Neg 6437033 <NA>
## 286 Fatty Acid Metabolism(Acyl Glycine) 42092 LC/MS Neg 151008 <NA>
## 287 Food Component/Plant 31536 LC/MS Neg 21863 HMDB00439
## 288 Fatty Acid, Dicarboxylate 36754 LC/MS Neg 70095 HMDB00782
## 289 Fatty Acid Metabolism(Acyl Carnitine) 33936 LC/MS Pos 123701 HMDB00791
## 290 Long Chain Fatty Acid 1359 LC/MS Neg 445639 HMDB00207
## 291 Endocannabinoid 38102 LC/MS Neg 5283454 HMDB02088
## 292 Fatty Acid Metabolism(Acyl Carnitine) 35160 LC/MS Neg 6441392;53477789 HMDB05065
## 293 Monoacylglycerol 48424 LC/MS Polar <NA> <NA>
## 294 Lysolipid 48303 LC/MS Polar <NA> <NA>
## 295 Sphingolipid Metabolism 37529 LC/MS Polar 6443882 <NA>
## 296 Urea cycle; Arginine and Proline Metabolism 1493 LC/MS Polar 6262 HMDB03374
## 297 Pyrimidine Metabolism, Orotate containing 1505 LC/MS Polar 967 HMDB00226
## 298 Pyrimidine Metabolism, Orotate containing 35172 LC/MS Polar 92751 HMDB00788
## 299 Ascorbate and Aldarate Metabolism 20694 LC/MS Neg 971 HMDB02329
## 300 Phenylalanine and Tyrosine Metabolism 36845 LC/MS Neg 11615528 <NA>
## 301 Benzoate Metabolism 46111 LC/MS Neg 22473 <NA>
## 302 Chemical 45413 LC/MS Neg 514186 <NA>
## 303 Long Chain Fatty Acid 1336 LC/MS Neg 985 HMDB00220
## 304 Long Chain Fatty Acid 33447 LC/MS Neg 445638 HMDB03229
## 305 Sphingolipid Metabolism 42459 LC/MS Polar <NA> <NA>
## 306 Fatty Acid Metabolism(Acyl Carnitine) 44681 LC/MS Pos 461 HMDB00222
## 307 Lysolipid 48383 LC/MS Polar <NA> <NA>
## 308 Lysolipid 48392 LC/MS Polar <NA> <NA>
## 309 Endocannabinoid 38165 LC/MS Neg 4671 HMDB02100
## 310 Lysolipid 48385 LC/MS Polar <NA> <NA>
## 311 Lysolipid 48269 LC/MS Polar <NA> <NA>
## 312 Lysolipid 48304 LC/MS Polar <NA> <NA>
## 313 Lysolipid 48267 LC/MS Polar <NA> <NA>
## 314 Lysolipid 48391 LC/MS Polar <NA> <NA>
## 315 Lysolipid 48276 LC/MS Polar <NA> <NA>
## 316 Lysolipid 48389 LC/MS Polar <NA> <NA>
## 317 Sphingolipid Metabolism 37506 LC/MS Polar 9939941 <NA>
## 318 Pantothenate and CoA Metabolism 1508 LC/MS Neg 6613 HMDB00210
## 319 Xanthine Metabolism 18254 LC/MS Pos 4687 HMDB01860
## 320 Medium Chain Fatty Acid 12035 LC/MS Neg 8158 HMDB00847
## 321 Long Chain Fatty Acid 1361 GC/MS 13849 HMDB00826
## 322 Phenylalanine and Tyrosine Metabolism 32553 LC/MS Neg 74426 HMDB60015
## 323 Phenylalanine and Tyrosine Metabolism 15958 LC/MS Neg 999 HMDB00209
## 324 Phenylalanine and Tyrosine Metabolism 35126 LC/MS Pos 92258 HMDB06344
## 325 Phenylalanine and Tyrosine Metabolism 33945 LC/MS Neg 68144 HMDB00821
## 326 Phenylalanine and Tyrosine Metabolism 64 LC/MS Pos 6140 HMDB00159
## 327 Dipeptide 41370 LC/MS Pos 98207 <NA>
## 328 Chemical 43265 LC/MS Pos <NA> <NA>
## 329 Phenylalanine and Tyrosine Metabolism 22130 LC/MS Neg 3848 HMDB00779
## 330 Phenylalanine and Tyrosine Metabolism 566 LC/MS Neg 997 HMDB00205
## 331 Oxidative Phosphorylation 42109 LC/MS Neg 1061 HMDB01429
## 332 Phospholipid Metabolism 1600 LC/MS Neg 1015 HMDB00224
## 333 Tryptophan Metabolism 1512 LC/MS Pos 1018 HMDB02243
## 334 Fatty Acid, Dicarboxylate 15704 LC/MS Polar 385 HMDB00857
## 335 Lysine Metabolism 1444 LC/MS Pos 849 HMDB00070
## 336 Food Component/Plant 33935 LC/MS Pos 638024 HMDB29377
## 337 Steroid 40708 LC/MS Neg 123796 <NA>
## 338 Steroid 48394 LC/MS Neg <NA> <NA>
## 339 Steroid 38170 LC/MS Neg 105074 HMDB00774
## 340 Steroid 32562 LC/MS Neg <NA> <NA>
## 341 Steroid 32619 LC/MS Neg <NA> <NA>
## 342 Urea cycle; Arginine and Proline Metabolism 1898 LC/MS Pos 145742 HMDB00162
## 343 Dipeptide 40703 LC/MS Pos 7408076;6426709 <NA>
## 344 Fatty Acid Metabolism (also BCAA Metabolism) 32452 LC/MS Pos 107738 HMDB00824
## 345 Fatty Acid Metabolism (also BCAA Metabolism) 31932 LC/MS Neg 98681 HMDB00783
## 346 Benzoate Metabolism 48460 LC/MS Neg <NA> <NA>
## 347 Urea cycle; Arginine and Proline Metabolism 35127 LC/MS Pos 11673055 HMDB06695
## 348 Pyrimidine Metabolism, Uracil containing 33442 LC/MS Polar 15047 HMDB00767
## 349 Vitamin B6 Metabolism 1651 LC/MS Pos 1050 HMDB01545
## 350 Vitamin B6 Metabolism 31555 LC/MS Neg 6723 HMDB00017
## 351 Glutamate Metabolism 46225 LC/MS Pos 134508 <NA>
## 352 Food Component/Plant 48428 LC/MS Pos <NA> <NA>
## 353 Glycolysis, Gluconeogenesis, and Pyruvate Metabolism 42582 LC/MS Neg 1060 HMDB00243
## 354 Phenylalanine and Tyrosine Metabolism 48841 LC/MS Neg 154035 HMDB11686
## 355 Phenylalanine and Tyrosine Metabolism 36103 LC/MS Neg 4615423 HMDB11635
## 356 Food Component/Plant 18335 LC/MS Polar 6508 HMDB03072
## 357 Nicotinate and Nicotinamide Metabolism 1899 LC/MS Polar 1066 HMDB00232
## 358 Pentose Metabolism 15772 LC/MS Polar 6912 HMDB00508
## 359 Riboflavin Metabolism 1827 LC/MS Pos 493570 HMDB00244
## 360 Pentose Metabolism 27731 LC/MS Polar 5460677 HMDB00867
## 361 Food Component/Plant 21151 LC/MS Neg 5143 HMDB29723
## 362 Drug 1515 LC/MS Neg 338 HMDB01895
## 363 Drug 33384 LC/MS Neg <NA> <NA>
## 364 Glycine, Serine and Threonine Metabolism 1516 GC/MS 1088 HMDB00271
## 365 Inositol Metabolism 32379 GC/MS 892 HMDB06088
## 366 Fatty Acid, Dicarboxylate 32398 LC/MS Neg 5192 HMDB00792
## 367 Glycine, Serine and Threonine Metabolism 1648 LC/MS Polar 5951 HMDB00187
## 368 Tryptophan Metabolism 2342 LC/MS Pos 5202 HMDB00259
## 369 Fructose, Mannose and Galactose Metabolism 15053 GC/MS 5780 HMDB00247
## 370 Polyamine Metabolism 485 LC/MS Pos 1102 HMDB01257
## 371 Sphingolipid Metabolism 34445 LC/MS Polar 5283560 HMDB00277
## 372 Food Component/Plant 34384 LC/MS Pos 115244 HMDB04827
## 373 Long Chain Fatty Acid 1358 LC/MS Neg 5281 HMDB00827
## 374 Polyunsaturated Fatty Acid (n3 and n6) 33969 LC/MS Neg 5312508 HMDB06547
## 375 Fatty Acid Metabolism(Acyl Carnitine) 34409 LC/MS Pos 6426855 HMDB00848
## 376 Lysolipid 48386 LC/MS Polar <NA> <NA>
## 377 Lysolipid 48393 LC/MS Polar <NA> <NA>
## 378 Lysolipid 48497 LC/MS Polar <NA> <NA>
## 379 Lysolipid 48282 LC/MS Polar <NA> <NA>
## 380 Lysolipid 48387 LC/MS Polar <NA> <NA>
## 381 Lysolipid 48388 LC/MS Polar <NA> <NA>
## 382 Lysolipid 48499 LC/MS Polar <NA> <NA>
## 383 Sphingolipid Metabolism 19503 LC/MS Polar 6453725 HMDB01348
## 384 TCA Cycle 1437 LC/MS Neg 1110 HMDB00254
## 385 TCA Cycle 37058 LC/MS Pos <NA> <NA>
## 386 Disaccharides and Oligosaccharides 1519 LC/MS Polar 5988 HMDB00258
## 387 Chemical 46960 LC/MS Neg 1118 HMDB01448
## 388 Methionine, Cysteine, SAM and Taurine Metabolism 42382 LC/MS Neg 439155 HMDB00939
## 389 Food Component/Plant 43239 LC/MS Pos 98280 <NA>
## 390 Methionine, Cysteine, SAM and Taurine Metabolism 39592 LC/MS Neg 24417 HMDB02108
## 391 Chemical 44552 LC/MS Neg 3371179 <NA>
## 392 Food Component/Plant 15336 LC/MS Neg 444305 HMDB00956
## 393 Bacterial/Fungal 20693 LC/MS Neg 45 HMDB35227
## 394 Methionine, Cysteine, SAM and Taurine Metabolism 2125 LC/MS Neg 1123 HMDB00251
## 395 Primary Bile Acid Metabolism 18494 LC/MS Neg 387316 HMDB00951
## 396 Primary Bile Acid Metabolism 18497 LC/MS Neg 6675 HMDB00036
## 397 Secondary Bile Acid Metabolism 32807 LC/MS Neg <NA> <NA>
## 398 Secondary Bile Acid Metabolism 12261 LC/MS Neg 2733768 HMDB00896
## 399 Secondary Bile Acid Metabolism 31889 LC/MS Neg 10595 HMDB00722
## 400 Secondary Bile Acid Metabolism 39378 LC/MS Neg 9848818 HMDB00874
## 401 Primary Bile Acid Metabolism 33983 LC/MS Neg 168408 HMDB00932
## 402 Food Component/Plant 22206 LC/MS Pos 439378 HMDB34365
## 403 Xanthine Metabolism 18392 LC/MS Pos 5429 HMDB02825
## 404 Xanthine Metabolism 18394 LC/MS Pos 2153 HMDB01889
## 405 Pentose Metabolism 35854 GC/MS 169019 HMDB04136
## 406 Ascorbate and Aldarate Metabolism 27738 LC/MS Polar 151152 HMDB00943
## 407 Glycine, Serine and Threonine Metabolism 1284 LC/MS Pos 6288 HMDB00167
## 408 Dipeptide 31530 LC/MS Pos 4099799;4099798 <NA>
## 409 Food Component/Plant 36095 LC/MS Neg <NA> HMDB01878
## 410 Phenylalanine and Tyrosine Metabolism 46079 LC/MS Pos 5819 HMDB01918
## 411 Leucine, Isoleucine and Valine Metabolism 1598 LC/MS Pos 6441567 HMDB00959
## 412 Leucine, Isoleucine and Valine Metabolism 35428 LC/MS Pos 22833596 HMDB02366
## 413 Urea cycle; Arginine and Proline Metabolism 32306 LC/MS Polar 5810 HMDB00725
## 414 Histidine Metabolism 607 LC/MS Pos 736715 HMDB00301
## 415 Nicotinate and Nicotinamide Metabolism 32401 LC/MS Pos 5570 HMDB00875
## 416 Phospholipid Metabolism 40406 LC/MS Pos 1145 HMDB00925
## 417 Tryptophan Metabolism 54 LC/MS Pos 6305 HMDB00929
## 418 Tryptophan Metabolism 37097 LC/MS Pos 442106 HMDB61115
## 419 Phenylalanine and Tyrosine Metabolism 48408 LC/MS Neg 153005 HMDB06409
## 420 Phenylalanine and Tyrosine Metabolism 1299 LC/MS Pos 6057 HMDB00158
## 421 Food Component/Plant 48674 LC/MS Neg 129659 <NA>
## 422 Fatty Acid, Dicarboxylate 42395 LC/MS Neg 15816 HMDB00888
## 423 Pyrimidine Metabolism, Uracil containing 605 LC/MS Polar 1174 HMDB00300
## 424 Purine Metabolism, (Hypo)Xanthine/Inosine containing 1604 LC/MS Neg 1175 HMDB00289
## 425 Urea cycle; Arginine and Proline Metabolism 1670 LC/MS Pos 1176 HMDB00294
## 426 Pyrimidine Metabolism, Uracil containing 606 LC/MS Neg 6029 HMDB00296
## 427 Secondary Bile Acid Metabolism 1605 LC/MS Neg 31401 HMDB00946
## 428 Fatty Acid Metabolism(Acyl Carnitine) 34406 LC/MS Pos 6426903 HMDB13128
## 429 Leucine, Isoleucine and Valine Metabolism 1649 LC/MS Pos 6287 HMDB00883
## 430 Dipeptide 40475 LC/MS Neg 136487 <NA>
## 431 Dipeptide 39994 LC/MS Pos 352039 <NA>
## 432 Phenylalanine and Tyrosine Metabolism 48733 LC/MS Neg <NA> <NA>
## 433 Phenylalanine and Tyrosine Metabolism 1567 LC/MS Neg 1245 HMDB00291
## 434 Purine Metabolism, (Hypo)Xanthine/Inosine containing 3147 LC/MS Pos 1188 HMDB00292
## 435 Purine Metabolism, (Hypo)Xanthine/Inosine containing 15136 LC/MS Pos 64959 HMDB00299
## 436 Tryptophan Metabolism 15679 LC/MS Neg 5699 HMDB00881
## 437 Pentose Metabolism 4966 GC/MS 6912 HMDB02917
## 438 Long Chain Fatty Acid 33971 LC/MS Neg 5312435 HMDB60038
## 439 Long Chain Fatty Acid 33972 LC/MS Neg 5312513 HMDB13622
## 440 Medium Chain Fatty Acid 32497 LC/MS Neg <NA> <NA>
## 441 Steroid 39779 LC/MS Pos <NA> <NA>
## 442 Steroid 47135 LC/MS Neg <NA> <NA>
## 443 Fatty Acid, Dihydroxy 38395 LC/MS Neg 10236635 HMDB04705
## 444 Fatty Acid, Monohydroxy 37752 LC/MS Neg 43013 <NA>
## 445 Fatty Acid, Branched 38768 LC/MS Neg 17903417 <NA>
## 446 Fatty Acid, Monohydroxy 39609 LC/MS Neg 10466 HMDB06294
## 447 Fatty Acid, Branched 38296 LC/MS Neg 3083779 <NA>
## 448 Chemical 48762 LC/MS Neg <NA> <NA>
## 449 Diacylglycerol 11953 GC/MS 99931 HMDB07098
## 450 Chemical 38002 GC/MS 1030 HMDB01881
## 451 Xanthine Metabolism 34404 LC/MS Neg 79437 HMDB02123
## 452 Xanthine Metabolism 32391 LC/MS Pos 70346 HMDB01857
## 453 Diacylglycerol 35728 GC/MS 68149 HMDB31011
## 454 Glycolysis, Gluconeogenesis, and Pyruvate Metabolism 20675 LC/MS Neg 64960 HMDB02712
## 455 Food Component/Plant 21049 GC/MS 2724705 HMDB00640
## 456 Xanthine Metabolism 34400 LC/MS Neg 91611 HMDB11103
## 457 Lysolipid 33228 LC/MS Pos <NA> HMDB10395
## 458 Lysolipid 35186 LC/MS Neg 42607465 HMDB11517
## 459 Lysolipid 34214 LC/MS Neg <NA> HMDB61690
## 460 Lysolipid 46325 LC/MS Neg <NA> <NA>
## 461 Monoacylglycerol 34397 LC/MS Neg 5282281 HMDB11572
## 462 Monoacylglycerol 48341 LC/MS Neg <NA> <NA>
## 463 Monoacylglycerol 35153 LC/MS Neg <NA> HMDB11587
## 464 Monoacylglycerol 34393 LC/MS Neg 53480978 HMDB11569
## 465 Lysolipid 45951 LC/MS Pos <NA> <NA>
## 466 Monoacylglycerol 27447 LC/MS Neg 5283469 <NA>
## 467 Lysolipid 34419 LC/MS Pos 11988421 HMDB10386
## 468 Lysolipid 32635 LC/MS Neg 52925130 HMDB11507
## 469 Lysolipid 36594 LC/MS Neg <NA> <NA>
## 470 Histidine Metabolism 30460 LC/MS Neg 92105 HMDB00001
## 471 Histidine Metabolism 32350 LC/MS Pos 75810 HMDB02820
## 472 Nicotinate and Nicotinamide Metabolism 27665 LC/MS Pos 10129985 HMDB00699
## 473 Xanthine Metabolism 34395 LC/MS Pos 69726 HMDB03099
## 474 Xanthine Metabolism 34389 LC/MS Pos 80220 HMDB10738
## 475 Monoacylglycerol 35625 LC/MS Neg 79050 HMDB11561
## 476 Monoacylglycerol 21184 LC/MS Pos 5283468 HMDB11567
## 477 Lysolipid 48258 LC/MS Pos 16081932 HMDB02815
## 478 Lysolipid 35628 LC/MS Neg 9547071 HMDB11506
## 479 Lysolipid 45968 LC/MS Neg <NA> <NA>
## 480 Lysolipid 36602 LC/MS Neg <NA> <NA>
## 481 Lysolipid 44621 LC/MS Neg <NA> <NA>
## 482 Lysolipid 33230 LC/MS Pos 24779461 HMDB10383
## 483 Monoacylglycerol 21127 GC/MS 14900 HMDB31074
## 484 Lysolipid 34428 LC/MS Neg 6419701 HMDB00327
## 485 Lysolipid 33955 LC/MS Pos 86554 HMDB10382
## 486 Lysolipid 35631 LC/MS Neg 9547069 HMDB11503
## 487 Lysolipid 45970 LC/MS Neg 3300276 <NA>
## 488 Lysolipid 35305 LC/MS Neg <NA> HMDB61695
## 489 Lysolipid 39270 LC/MS Neg <NA> <NA>
## 490 Lysolipid 33961 LC/MS Pos 497299 HMDB10384
## 491 Lysolipid 42398 LC/MS Neg 9547068 HMDB11130
## 492 Lysolipid 19324 LC/MS Neg <NA> HMDB61696
## 493 Lysolipid 39271 LC/MS Neg <NA> <NA>
## 494 Steroid 46115 LC/MS Neg 134595 HMDB04026
## 495 Food Component/Plant 38276 LC/MS Polar 677 HMDB12141
## 496 Lysine Metabolism 6146 LC/MS Pos 469 HMDB00510
## 497 Methionine, Cysteine, SAM and Taurine Metabolism 42374 LC/MS Pos 439691 HMDB00650
## 498 Fatty Acid, Amino 43761 LC/MS Pos 227939 <NA>
## 499 Fatty Acid, Amino 43343 LC/MS Pos 69522 HMDB00991
## 500 Chemical 43266 LC/MS Neg 181670 HMDB61116
## 501 Monoacylglycerol 19266 LC/MS Neg 5282280 HMDB04666
## 502 Chemical 1554 LC/MS Neg 8697 HMDB31230
## 503 Benzoate Metabolism 36847 LC/MS Neg <NA> <NA>
## 504 Drug 33173 LC/MS Neg <NA> <NA>
## 505 Fatty Acid, Dicarboxylate 31934 LC/MS Polar 193530 HMDB00321
## 506 Methionine, Cysteine, SAM and Taurine Metabolism 21044 GC/MS 440864 HMDB00008
## 507 Fatty Acid, Monohydroxy 42489 LC/MS Neg 21488 <NA>
## 508 Fatty Acid, Dicarboxylate 37253 GC/MS 43 HMDB00606
## 509 Benzoate Metabolism 18281 LC/MS Neg 10253 HMDB00840
## 510 Chemical 22030 GC/MS 11671 HMDB00729
## 511 Fatty Acid, Monohydroxy 22036 LC/MS Neg 94180 HMDB02264
## 512 Fatty Acid, Monohydroxy 35675 LC/MS Neg 92836 HMDB31057
## 513 Phenylalanine and Tyrosine Metabolism 1432 LC/MS Neg 11970 HMDB00669
## 514 Fatty Acid, Monohydroxy 17945 LC/MS Neg 69417 <NA>
## 515 Leucine, Isoleucine and Valine Metabolism 36746 LC/MS Neg 164623 HMDB00317
## 516 Food Component/Plant 15667 LC/MS Neg 77 HMDB00402
## 517 Monoacylglycerol 32506 LC/MS Neg 5365676 HMDB11538
## 518 Drug 33161 LC/MS Neg <NA> <NA>
## 519 Drug 47031 LC/MS Neg <NA> <NA>
## 520 Leucine, Isoleucine and Valine Metabolism 45095 LC/MS Pos 6426901 HMDB00378
## 521 Fatty Acid Synthesis 35482 LC/MS Pos 53481628 HMDB13133
## 522 Chemical 48445 LC/MS Neg <NA> <NA>
## 523 Food Component/Plant 40479 LC/MS Pos 3080590 <NA>
## 524 Lysolipid 35819 LC/MS Pos <NA> <NA>
## 525 Lysolipid 35253 LC/MS Pos 15061532 HMDB61702
## 526 Food Component/Plant 43400 LC/MS Pos 12665 <NA>
## 527 Chemical 31675 LC/MS Pos 12025 HMDB02039
## 528 Lysolipid 35255 LC/MS Pos 10208382 <NA>
## 529 Lysolipid 41220 LC/MS Neg <NA> <NA>
## 530 Pyrimidine Metabolism, Uracil containing 1412 LC/MS Neg 13712 HMDB00012
## 531 Secondary Bile Acid Metabolism 43507 LC/MS Neg 92997 HMDB00308
## 532 Xanthine Metabolism 34399 LC/MS Neg 83126 HMDB01982
## 533 Pyrimidine Metabolism, Thymine containing 1566 GC/MS 64956 HMDB03911
## 534 Benzoate Metabolism 36848 LC/MS Neg <NA> <NA>
## 535 Ketone Bodies 542 LC/MS Polar 441 HMDB00357
## 536 Fatty Acid, Monohydroxy 22053 LC/MS Neg 26612 HMDB02203
## 537 Benzoate Metabolism 39600 LC/MS Neg 450268 HMDB06116
## 538 Food Component/Plant 42561 LC/MS Pos 6097 <NA>
## 539 Leucine, Isoleucine and Valine Metabolism 1549 LC/MS Polar 87 HMDB00336
## 540 Fatty Acid, Monohydroxy 32457 LC/MS Neg 94216 HMDB00387
## 541 Fatty Acid, Monohydroxy 22001 LC/MS Neg 26613 HMDB01954
## 542 Chemical 48448 LC/MS Neg <NA> <NA>
## 543 Fatty Acid, Monohydroxy 31943 LC/MS Neg 3017884 HMDB00350
## 544 Leucine, Isoleucine and Valine Metabolism 32397 LC/MS Neg 188979 HMDB00396
## 545 Mevalonate Metabolism 531 LC/MS Polar 1662 HMDB00355
## 546 Tryptophan Metabolism 27672 LC/MS Neg 10258 HMDB00682
## 547 Benzoate Metabolism 48763 LC/MS Neg <NA> <NA>
## 548 Benzoate Metabolism 48752 LC/MS Neg <NA> <NA>
## 549 Phenylalanine and Tyrosine Metabolism 44618 LC/MS Neg <NA> <NA>
## 550 Phenylalanine and Tyrosine Metabolism 12017 LC/MS Pos 1670 HMDB01434
## 551 Fatty Acid, Dicarboxylate 36749 LC/MS Polar 12292 HMDB00555
## 552 Leucine, Isoleucine and Valine Metabolism 38667 LC/MS Pos 1551553 HMDB00522
## 553 Lysine Metabolism 46548 LC/MS Pos 128145 HMDB00552
## 554 Histidine Metabolism 15677 LC/MS Neg 64969 HMDB00479
## 555 Xanthine Metabolism 32445 LC/MS Pos 70639 HMDB01886
## 556 Leucine, Isoleucine and Valine Metabolism 44526 LC/MS Neg 49 HMDB00019
## 557 Leucine, Isoleucine and Valine Metabolism 15676 LC/MS Neg 47 HMDB03736
## 558 Benzoate Metabolism 46165 LC/MS Neg <NA> <NA>
## 559 Benzoate Metabolism 46164 LC/MS Neg <NA> <NA>
## 560 Phenylalanine and Tyrosine Metabolism 15749 LC/MS Neg 107 HMDB00764
## 561 Pyrimidine Metabolism, Uracil containing 3155 LC/MS Pos 111 HMDB00026
## 562 Phenylalanine and Tyrosine Metabolism 35635 LC/MS Neg 91 HMDB00375
## 563 Phenylalanine and Tyrosine Metabolism 45415 LC/MS Neg 187488 <NA>
## 564 Phenylalanine and Tyrosine Metabolism 32197 LC/MS Neg 9378 HMDB00755
## 565 Phenylalanine and Tyrosine Metabolism 39587 LC/MS Neg 10394 HMDB02199
## 566 Drug 34365 LC/MS Pos 5233914 <NA>
## 567 Drug 45721 LC/MS Neg 83967 <NA>
## 568 Polyamine Metabolism 1558 LC/MS Pos 18189 HMDB03681
## 569 Drug 12032 LC/MS Neg 1983 HMDB01859
## 570 Drug 15736 LC/MS Neg 83944 HMDB10316
## 571 Drug 37475 LC/MS Neg 83939 HMDB59911
## 572 Drug 44620 LC/MS Neg 4684006 <NA>
## 573 Food Component/Plant 37181 LC/MS Neg <NA> <NA>
## 574 Steroid 37207 LC/MS Neg <NA> <NA>
## 575 Steroid 37209 LC/MS Neg <NA> <NA>
## 576 Steroid 37210 LC/MS Neg <NA> <NA>
## 577 Steroid 37202 LC/MS Neg 10634 HMDB03818
## 578 Steroid 37203 LC/MS Neg 10634 HMDB03818
## 579 Benzoate Metabolism 36099 LC/MS Neg <NA> <NA>
## 580 Guanidino and Acetamido Metabolism 15681 LC/MS Pos 500 HMDB03464
## 581 Chemical 48441 LC/MS Neg 34217 <NA>
## 582 Benzoate Metabolism 35527 LC/MS Neg 151012 HMDB13678
## 583 Phenylalanine and Tyrosine Metabolism 541 LC/MS Neg 127 HMDB00020
## 584 Phenylalanine and Tyrosine Metabolism 1669 LC/MS Neg 979 HMDB00707
## 585 Histidine Metabolism 32349 LC/MS Pos 96215 HMDB02024
## 586 Benzoate Metabolism 46146 LC/MS Neg <NA> <NA>
## 587 Leucine, Isoleucine and Valine Metabolism 22116 LC/MS Neg 70 HMDB00695
## 588 Food Component/Plant 48442 LC/MS Neg <NA> <NA>
## 589 Benzoate Metabolism 36098 LC/MS Neg 6426766 HMDB04072
## 590 Steroid 37187 LC/MS Neg <NA> <NA>
## 591 Steroid 37190 LC/MS Neg 242332 HMDB00493
## 592 Steroid 46172 LC/MS Neg 5127902 <NA>
## 593 Steroid 37198 LC/MS Neg <NA> <NA>
## 594 Steroid 37200 LC/MS Neg <NA> <NA>
## 595 Steroid 37184 LC/MS Neg <NA> <NA>
## 596 Steroid 37186 LC/MS Neg <NA> <NA>
## 597 Steroid 37191 LC/MS Neg <NA> <NA>
## 598 Pyrimidine Metabolism, Thymine containing 1418 LC/MS Pos 93556 HMDB00079
## 599 Pyrimidine Metabolism, Uracil containing 1559 LC/MS Pos 649 HMDB00076
## 600 Xanthine Metabolism 34424 LC/MS Neg 88299 HMDB04400
## 601 Medium Chain Fatty Acid 33968 LC/MS Neg 5312378 HMDB00529
## 602 Fatty Acid, Monohydroxy 31938 LC/MS Neg 170748 HMDB00525
## 603 Tryptophan Metabolism 437 LC/MS Pos 1826 HMDB00763
## 604 Polyamine Metabolism 1419 LC/MS Pos 439176 HMDB01173
## 605 Pyrimidine Metabolism, Uracil containing 35136 LC/MS Neg 445408 HMDB00884
## 606 Glutathione Metabolism 1494 LC/MS Neg 7405 HMDB00267
## 607 Drug 43231 LC/MS Pos 3014237 <NA>
## 608 Sterol 36776 LC/MS Neg 3081085 HMDB12458
## 609 Purine Metabolism, Guanine containing 35114 LC/MS Pos 11361 HMDB00897
## 610 Xanthine Metabolism 39598 LC/MS Neg 69160 <NA>
## 611 Xanthine Metabolism 34390 LC/MS Pos 68374 HMDB01991
## metmiss
## 1 1
## 2 1
## 3 0
## 4 16
## 5 267
## 6 17
## 7 6
## 8 0
## 9 605
## 10 0
## 11 545
## 12 32
## 13 797
## 14 349
## 15 538
## 16 387
## 17 143
## 18 31
## 19 0
## 20 30
## 21 0
## 22 1
## 23 1
## 24 260
## 25 84
## 26 8
## 27 26
## 28 0
## 29 0
## 30 489
## 31 0
## 32 142
## 33 0
## 34 1
## 35 3
## 36 16
## 37 0
## 38 50
## 39 17
## 40 599
## 41 661
## 42 454
## 43 170
## 44 0
## 45 10
## 46 43
## 47 1089
## 48 119
## 49 0
## 50 285
## 51 0
## 52 435
## 53 557
## 54 0
## 55 60
## 56 6
## 57 1016
## 58 0
## 59 0
## 60 563
## 61 47
## 62 1
## 63 0
## 64 89
## 65 11
## 66 1
## 67 0
## 68 0
## 69 88
## 70 0
## 71 1
## 72 0
## 73 0
## 74 1
## 75 505
## 76 0
## 77 21
## 78 1
## 79 148
## 80 0
## 81 978
## 82 8
## 83 365
## 84 0
## 85 208
## 86 0
## 87 0
## 88 0
## 89 141
## 90 0
## 91 0
## 92 167
## 93 0
## 94 0
## 95 104
## 96 3
## 97 1
## 98 151
## 99 2
## 100 1
## 101 0
## 102 0
## 103 28
## 104 7
## 105 10
## 106 1
## 107 1
## 108 0
## 109 849
## 110 0
## 111 700
## 112 110
## 113 82
## 114 14
## 115 78
## 116 0
## 117 76
## 118 0
## 119 57
## 120 0
## 121 112
## 122 1
## 123 4
## 124 0
## 125 1
## 126 0
## 127 0
## 128 0
## 129 0
## 130 1
## 131 66
## 132 0
## 133 0
## 134 0
## 135 33
## 136 155
## 137 765
## 138 4
## 139 0
## 140 0
## 141 0
## 142 0
## 143 142
## 144 6
## 145 0
## 146 0
## 147 3
## 148 0
## 149 16
## 150 0
## 151 6
## 152 55
## 153 1
## 154 0
## 155 365
## 156 311
## 157 122
## 158 0
## 159 9
## 160 637
## 161 0
## 162 26
## 163 47
## 164 7
## 165 64
## 166 556
## 167 48
## 168 0
## 169 0
## 170 298
## 171 0
## 172 0
## 173 92
## 174 59
## 175 0
## 176 1
## 177 8
## 178 309
## 179 1088
## 180 50
## 181 57
## 182 299
## 183 3
## 184 1001
## 185 6
## 186 108
## 187 0
## 188 177
## 189 16
## 190 0
## 191 5
## 192 203
## 193 34
## 194 0
## 195 5
## 196 0
## 197 6
## 198 573
## 199 0
## 200 21
## 201 34
## 202 0
## 203 15
## 204 728
## 205 6
## 206 0
## 207 0
## 208 735
## 209 166
## 210 0
## 211 0
## 212 39
## 213 7
## 214 1
## 215 0
## 216 68
## 217 0
## 218 672
## 219 0
## 220 0
## 221 8
## 222 0
## 223 472
## 224 16
## 225 0
## 226 0
## 227 0
## 228 31
## 229 1
## 230 0
## 231 3
## 232 15
## 233 2
## 234 0
## 235 0
## 236 6
## 237 91
## 238 0
## 239 0
## 240 0
## 241 0
## 242 0
## 243 3
## 244 0
## 245 0
## 246 148
## 247 1
## 248 214
## 249 1069
## 250 0
## 251 4
## 252 0
## 253 0
## 254 0
## 255 388
## 256 1
## 257 0
## 258 0
## 259 25
## 260 4
## 261 4
## 262 0
## 263 9
## 264 28
## 265 185
## 266 13
## 267 0
## 268 41
## 269 13
## 270 0
## 271 0
## 272 1
## 273 1
## 274 28
## 275 19
## 276 0
## 277 40
## 278 369
## 279 19
## 280 0
## 281 0
## 282 678
## 283 0
## 284 0
## 285 532
## 286 35
## 287 8
## 288 1
## 289 1
## 290 0
## 291 3
## 292 392
## 293 275
## 294 8
## 295 0
## 296 0
## 297 0
## 298 68
## 299 0
## 300 110
## 301 0
## 302 0
## 303 0
## 304 0
## 305 0
## 306 77
## 307 0
## 308 0
## 309 0
## 310 0
## 311 0
## 312 1
## 313 0
## 314 54
## 315 94
## 316 18
## 317 0
## 318 0
## 319 13
## 320 85
## 321 137
## 322 0
## 323 34
## 324 0
## 325 186
## 326 0
## 327 214
## 328 50
## 329 1
## 330 4
## 331 0
## 332 508
## 333 74
## 334 298
## 335 0
## 336 3
## 337 258
## 338 750
## 339 146
## 340 1
## 341 0
## 342 0
## 343 0
## 344 0
## 345 22
## 346 133
## 347 0
## 348 0
## 349 268
## 350 0
## 351 0
## 352 6
## 353 0
## 354 39
## 355 0
## 356 32
## 357 0
## 358 57
## 359 187
## 360 24
## 361 388
## 362 12
## 363 535
## 364 431
## 365 11
## 366 37
## 367 0
## 368 7
## 369 186
## 370 4
## 371 0
## 372 2
## 373 1
## 374 4
## 375 55
## 376 88
## 377 0
## 378 0
## 379 0
## 380 0
## 381 1
## 382 0
## 383 0
## 384 1
## 385 0
## 386 304
## 387 0
## 388 113
## 389 457
## 390 1
## 391 988
## 392 26
## 393 0
## 394 0
## 395 53
## 396 148
## 397 0
## 398 196
## 399 803
## 400 670
## 401 639
## 402 942
## 403 0
## 404 24
## 405 8
## 406 0
## 407 0
## 408 40
## 409 30
## 410 446
## 411 102
## 412 0
## 413 0
## 414 2
## 415 0
## 416 177
## 417 0
## 418 4
## 419 50
## 420 0
## 421 178
## 422 8
## 423 659
## 424 0
## 425 0
## 426 2
## 427 244
## 428 87
## 429 0
## 430 184
## 431 116
## 432 323
## 433 0
## 434 0
## 435 53
## 436 158
## 437 253
## 438 3
## 439 3
## 440 0
## 441 809
## 442 482
## 443 59
## 444 3
## 445 36
## 446 0
## 447 5
## 448 114
## 449 283
## 450 11
## 451 108
## 452 418
## 453 245
## 454 0
## 455 32
## 456 32
## 457 0
## 458 0
## 459 0
## 460 2
## 461 9
## 462 12
## 463 26
## 464 19
## 465 0
## 466 4
## 467 0
## 468 2
## 469 0
## 470 11
## 471 0
## 472 311
## 473 18
## 474 32
## 475 21
## 476 89
## 477 0
## 478 1
## 479 540
## 480 10
## 481 2
## 482 0
## 483 23
## 484 53
## 485 0
## 486 1
## 487 650
## 488 129
## 489 1
## 490 0
## 491 0
## 492 0
## 493 0
## 494 11
## 495 0
## 496 1
## 497 1
## 498 0
## 499 4
## 500 4
## 501 150
## 502 1
## 503 735
## 504 616
## 505 371
## 506 1
## 507 0
## 508 111
## 509 15
## 510 4
## 511 2
## 512 1
## 513 141
## 514 3
## 515 4
## 516 498
## 517 77
## 518 936
## 519 935
## 520 1
## 521 3
## 522 245
## 523 680
## 524 88
## 525 0
## 526 11
## 527 15
## 528 0
## 529 0
## 530 18
## 531 370
## 532 174
## 533 528
## 534 301
## 535 0
## 536 1
## 537 2
## 538 139
## 539 0
## 540 6
## 541 1
## 542 4
## 543 76
## 544 1
## 545 0
## 546 0
## 547 23
## 548 485
## 549 305
## 550 0
## 551 180
## 552 41
## 553 6
## 554 2
## 555 29
## 556 1
## 557 0
## 558 11
## 559 305
## 560 40
## 561 10
## 562 46
## 563 195
## 564 2
## 565 381
## 566 1050
## 567 899
## 568 0
## 569 1082
## 570 739
## 571 503
## 572 190
## 573 6
## 574 277
## 575 15
## 576 48
## 577 0
## 578 0
## 579 0
## 580 13
## 581 0
## 582 0
## 583 73
## 584 25
## 585 359
## 586 0
## 587 10
## 588 131
## 589 0
## 590 287
## 591 8
## 592 638
## 593 15
## 594 128
## 595 743
## 596 251
## 597 454
## 598 0
## 599 4
## 600 120
## 601 14
## 602 33
## 603 46
## 604 47
## 605 0
## 606 0
## 607 2
## 608 0
## 609 0
## 610 68
## 611 21## (1/5) Imported files## Loading RaMP-DB version 3.0.7 from cache.
## Loading RaMP-DB version 3.0.7 from cache.
## Loading RaMP-DB version 3.0.7 from cache.
## Loading RaMP-DB version 3.0.7 from cache.
## Loading RaMP-DB version 3.0.7 from cache.## (2/5) Performed initial RefMet mapping## (3/5) Found RaMP synonyms for unmapped inputs## (4/5) Queried RaMP synonyms in RefMet## MetLinkR achieved the following mapping rates:
## inputfile: 96.2%
## VickyFile: 75.3%
## JohnFile: 73.2%
## broadfileVicky: 97.4%
## broadfileEwy: 73.6%
## Global mapping rate: 78.9 %## Loading RaMP-DB version 3.0.7 from cache.##
##
## processing file: metLinkR_report.Rmd## 1/11
## 2/11 [setup]
## 3/11
## 4/11 [unnamed-chunk-6]## 5/11
## 6/11 [unnamed-chunk-7]## 7/11
## 8/11 [unnamed-chunk-8]
## 9/11
## 10/11 [unnamed-chunk-9]## 11/11## output file: metLinkR_report.knit.md## /opt/homebrew/bin/pandoc +RTS -K512m -RTS metLinkR_report.knit.md --to html4 --from markdown+autolink_bare_uris+tex_math_single_backslash --output metLinkR_report.html --lua-filter /Users/pattac/Library/R/arm64/4.6/library/rmarkdown/rmarkdown/lua/pagebreak.lua --lua-filter /Users/pattac/Library/R/arm64/4.6/library/rmarkdown/rmarkdown/lua/latex-div.lua --lua-filter /Users/pattac/Library/R/arm64/4.6/library/rmarkdown/rmarkdown/lua/table-classes.lua --embed-resources --standalone --variable bs3=TRUE --section-divs --table-of-contents --toc-depth 3 --variable toc_float=1 --variable toc_selectors=h1,h2,h3 --variable toc_collapsed=1 --variable toc_smooth_scroll=1 --variable toc_print=1 --template /Users/pattac/Library/R/arm64/4.6/library/rmarkdown/rmd/h/default.html --syntax-highlighting tango --number-sections --variable theme=cerulean --mathjax --variable 'mathjax-url=https://mathjax.rstudio.com/latest/MathJax.js?config=TeX-AMS-MML_HTMLorMML' --include-in-header /var/folders/7z/x3znsmd13nj_ky3wsbt3_sw4zzmgyq/T//RtmpHG51kF/rmarkdown-strfdc325ef2be.html##
## Output created: metLinkR_report.html## [1] "(5/5) Wrote output files to metLinkR_output/"MetLinkR creates a new subdirectory in the current working directory called “metLinkR_output” which the various outputs are written to. Make sure that that this new directory ends up in a memorable and desireable location.
MetLinkR creates four basic outputs:
For questions/support/bugfixes for metLinkR, please see our github repository or contact the author directly at andrew.patt@nih.gov.
## R version 4.6.0 (2026-04-24)
## Platform: aarch64-apple-darwin23
## Running under: macOS Tahoe 26.5.1
##
## Matrix products: default
## BLAS: /Library/Frameworks/R.framework/Versions/4.6/Resources/lib/libRblas.0.dylib
## LAPACK: /Library/Frameworks/R.framework/Versions/4.6/Resources/lib/libRlapack.dylib; LAPACK version 3.12.1
##
## locale:
## [1] en_US.UTF-8/en_US.UTF-8/en_US.UTF-8/C/en_US.UTF-8/en_US.UTF-8
##
## time zone: America/New_York
## tzcode source: internal
##
## attached base packages:
## [1] parallel stats graphics grDevices utils datasets methods base
##
## other attached packages:
## [1] metLinkR_0.0.0.9000
##
## loaded via a namespace (and not attached):
## [1] gtable_0.3.6 xfun_0.57 bslib_0.11.0 ggplot2_4.0.3 httr2_1.2.2
## [6] rJava_1.0-18 vctrs_0.7.3 tools_4.6.0 generics_0.1.4 curl_7.1.0
## [11] tibble_3.3.1 RSQLite_3.52.0 blob_1.3.0 pkgconfig_2.0.3 dbplyr_2.5.2
## [16] RColorBrewer_1.1-3 S7_0.2.2 lifecycle_1.0.5 compiler_4.6.0 farver_2.1.2
## [21] stringr_1.6.0 textshaping_1.0.5 codetools_0.2-20 htmltools_0.5.9 sass_0.4.10
## [26] yaml_2.3.12 RaMP_3.0.2 pillar_1.11.1 crayon_1.5.3 jquerylib_0.1.4
## [31] tidyr_1.3.2 cachem_1.1.0 iterators_1.0.14 foreach_1.5.2 tidyselect_1.2.1
## [36] digest_0.6.39 stringi_1.8.7 dplyr_1.2.1 purrr_1.2.2 labeling_0.4.3
## [41] fastmap_1.2.0 grid_4.6.0 cli_3.6.6 magrittr_2.0.5 xlsxjars_0.9.0
## [46] dichromat_2.0-0.1 withr_3.0.2 filelock_1.0.3 scales_1.4.0 rappdirs_0.3.4
## [51] bit64_4.8.2 rmarkdown_2.31 httr_1.4.8 bit_4.6.0 otel_0.2.0
## [56] gridExtra_2.3 kableExtra_1.4.0 memoise_2.0.1 evaluate_1.0.5 knitr_1.51
## [61] UpSetR_1.4.0 doParallel_1.0.17 BiocFileCache_3.2.0 viridisLite_0.4.3 rlang_1.2.0
## [66] Rcpp_1.1.1-1.1 glue_1.8.1 DBI_1.3.0 xml2_1.5.2 xlsx_0.6.5
## [71] svglite_2.2.2 rstudioapi_0.18.0 jsonlite_2.0.0 plyr_1.8.9 R6_2.6.1
## [76] systemfonts_1.3.2