Introduction
The database class in metid
is databaseClass
. You can use the demo database in metid
to explore it.
library(metid)
#> metid 1.2.33 (2024-09-10 14:13:17.115267)
#>
#> Attaching package: 'metid'
#> The following object is masked _by_ 'package:massdataset':
#>
#> check_mass_dataset
#> The following object is masked _by_ 'package:masstools':
#>
#> remove_noise
#> The following object is masked from 'package:stats':
#>
#> filter
data("snyder_database_rplc0.0.3")
snyder_database_rplc0.0.3
#> -----------Base information------------
#> Version:0.0.2
#> Source:MS
#> Link:http://snyderlab.stanford.edu/
#> Creater:Xiaotao Shen(shenxt1990@163.com)
#> With RT information
#> -----------Spectral information------------
#> 14 items of metabolite information:
#> Lab.ID; Compound.name; mz; RT; CAS.ID; HMDB.ID; KEGG.ID; Formula; mz.pos; mz.neg (top10)
#> 917 metabolites in total.
#> 356 metabolites with spectra in positive mode.
#> 534 metabolites with spectra in negative mode.
#> Collision energy in positive mode (number:):
#> Total number:2
#> NCE25; NCE50
#> Collision energy in negative mode:
#> Total number:2
#> NCE25; NCE50
class(snyder_database_rplc0.0.3)
#> [1] "databaseClass"
#> attr(,"package")
#> [1] "metid"
It contains three parts:
- spectra.info: The information for all the metabolites/compounds in the database.
Lab.ID | Compound.name | mz | RT | CAS.ID | HMDB.ID | KEGG.ID | Formula | mz.pos | mz.neg | Submitter | Family | Sub.pathway | Note |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
RPLC_1 | Pyrrole-3-carboxylic acid | 111.032 | 42.00000 | NA | NA | NA | C5H5NO2 | 112.0393 | 110.02470 | Mix_A | Organic acids and derivatives | NA | NA |
RPLC_2 | 3-Furoic acid | 112.016 | 60.00000 | NA | NA | NA | C5H4O3 | 113.0233 | 111.00880 | Mix_A | Organic acids and derivatives | NA | NA |
RPLC_3 | 3,4-Dehydro-DL-proline | 113.0477 | 30.00000 | NA | NA | NA | C5H7NO2 | 114.0550 | 112.04040 | Mix_A | Amino acids and conjugates | NA | NA |
RPLC_4 | 1-Methylhydantoin | 114.0429 | 30.00000 | NA | NA | NA | C4H6N2O2 | 115.0502 | 113.03560 | Mix_A | Miscellaneous | NA | NA |
RPLC_5 | 5-Methylcytosine hydrochloride | 125.0589 | 30.00000 | NA | NA | NA | C5H7N3O | 126.0662 | 124.05160 | Mix_A | Nucleosides and conjugates | NA | NA |
RPLC_6 | 5-Aminoimidazole-4-carboxamide hydrochloride | 126.0542 | 30.00000 | NA | NA | NA | C4H6N4O | 127.0614 | 125.04690 | Mix_A | Imidazoles and derivatives | NA | NA |
RPLC_7 | 2-Pyrrolidinone-5-carboxylic acid | 129.0426 | 33.00000 | NA | NA | NA | C5H7NO3 | 130.0499 | 128.03530 | Mix_A | Organic acids and derivatives | NA | NA |
RPLC_8 | Nicotinamide-N-Oxide | 138.0429 | 33.00000 | NA | NA | NA | C6H6N2O2 | 139.0502 | 137.03560 | Mix_A | Pyridines and derivatives | NA | NA |
RPLC_9 | 2-(4-Hydroxyphenyl)ethanol (Tyrosol) | 138.0681 | 95.40000 | NA | NA | NA | C8H10O2 | 139.0754 | 137.06080 | Mix_A | Alcohols and polyols | NA | NA |
RPLC_10 | 5-(Hydroxymethyl)uracil | 142.0378 | 73.20000 | NA | NA | NA | C5H6N2O3 | 143.0451 | 141.03060 | Mix_A | Nucleosides and conjugates | NA | NA |
RPLC_11 | 7-Methyladenine | 149.0701 | 48.00000 | NA | NA | NA | C6H7N5 | 150.0774 | 148.06290 | Mix_A | Nucleosides and conjugates | NA | NA |
RPLC_12 | 1-Methylhypoxanthine | 150.0542 | 73.20000 | NA | NA | NA | C6H6N4O | 151.0614 | 149.04690 | Mix_A | Nucleosides and conjugates | NA | NA |
RPLC_13 | 4,6-Diamino-5-(formylamino)pyrimidine (FAPy-Adenine) | 153.0651 | 33.00000 | NA | NA | NA | C5H7N5O | 154.0723 | 152.05780 | Mix_A | Nucleosides and conjugates | NA | NA |
RPLC_14 | 4-Deoxypyridoxine | 153.079 | 33.00000 | NA | NA | NA | C8H11NO2 | 154.0863 | 152.07170 | Mix_A | Pyridines and derivatives | NA | NA |
RPLC_15 | 2,3-Dihydroxybenzoic acid | 154.0266 | 78.60000 | NA | NA | NA | C7H6O4 | 155.0339 | 153.01930 | Mix_A | Organic acids and derivatives | NA | NA |
RPLC_16 | 5-Hydroxymethyl-6-methyluracil | 156.0535 | 33.00000 | NA | NA | NA | C6H8N2O3 | 157.0608 | 155.04620 | Mix_A | Nucleosides and conjugates | NA | NA |
RPLC_17 | 1-Methylguanine | 165.0651 | 58.20000 | NA | NA | NA | C6H7N5O | 166.0723 | 164.05780 | Mix_A | Nucleosides and conjugates | NA | NA |
RPLC_18 | 7-Methylxanthine | 166.0491 | 574.80000 | NA | NA | NA | C6H6N4O2 | 167.0564 | 165.04180 | Mix_A | Nucleosides and conjugates | NA | NA |
RPLC_19 | 3-(2,5-dioxoimidazolidin-4-yl)propanoic acid (Hydantoin-5-propionic acid) | 172.0484 | 33.00000 | NA | NA | NA | C6H8N2O4 | 173.0557 | 171.04110 | Mix_A | Organic acids and derivatives | NA | NA |
RPLC_20 | 3-Indoleacetic acid | 175.0633 | 217.20000 | NA | NA | NA | C10H9NO2 | 176.0706 | 174.05600 | Mix_A | Organic acids and derivatives | NA | NA |
RPLC_21 | (-)-Cotinine | 176.095 | 170.40000 | NA | NA | NA | C10H12N2O | 177.1022 | 175.08770 | Mix_A | Miscellaneous | NA | NA |
RPLC_22 | (+/-)-Salsolinol Hydrochloride | 179.0946 | 33.00000 | NA | NA | NA | C10H13NO2 | 180.1019 | 178.08730 | Mix_A | Alcohols and polyols | NA | NA |
RPLC_23 | 4-Pyridoxic acid | 183.0532 | 54.60000 | NA | NA | NA | C8H9NO4 | 184.0604 | 182.04590 | Mix_A | Organic acids and derivatives | NA | NA |
RPLC_24 | 3-Indoleacrylic acid | 187.0633 | 321.60000 | NA | NA | NA | C11H9NO2 | 188.0706 | 186.05600 | Mix_A | Organic acids and derivatives | NA | NA |
RPLC_25 | 5-Hydroxyindole-3-acetic acid | 191.0582 | 111.60000 | NA | NA | NA | C10H9NO3 | 192.0655 | 190.05100 | Mix_A | Organic acids and derivatives | NA | NA |
RPLC_26 | 3-Indolebutyric acid | 203.0946 | 336.60000 | NA | NA | NA | C12H13NO2 | 204.1019 | 202.08730 | Mix_A | Organic acids and derivatives | NA | NA |
RPLC_27 | 5-Acetylamino-6-amino-3-methyluracil Hydrate | 216.0859 | 170.40000 | NA | NA | NA | C7H12N4O4 | 217.0931 | 215.07860 | Mix_A | Nucleosides and conjugates | NA | NA |
RPLC_28 | 2'-Deoxycytidine | 227.0906 | 33.00000 | NA | NA | NA | C9H13N3O4 | 228.0979 | 226.08330 | Mix_A | Nucleosides and conjugates | NA | NA |
RPLC_29 | 2'-Deoxyuridine | 228.0746 | 43.20000 | NA | NA | NA | C9H12N2O5 | 229.0819 | 227.06730 | Mix_A | Nucleosides and conjugates | NA | NA |
RPLC_30 | 2'-Deoxyinosine | 252.0859 | 66.00000 | NA | NA | NA | C10H12N4O4 | 253.0931 | 251.07860 | Mix_A | Nucleosides and conjugates | NA | NA |
RPLC_31 | 5-Methylcytidine | 257.1012 | 33.00000 | NA | NA | NA | C10H15N3O5 | 258.1085 | 256.09390 | Mix_A | Nucleosides and conjugates | NA | NA |
RPLC_32 | 3-O-Methyluridine | 258.0852 | 52.80000 | NA | NA | NA | C10H14N2O6 | 259.0925 | 257.07790 | Mix_A | Nucleosides and conjugates | NA | NA |
RPLC_33 | D-Fructose 6-phosphate trisodium salt hydrate | 260.0297 | 33.00000 | NA | NA | NA | C6H13O9P | 261.0370 | 259.02240 | Mix_A | Carbohydrates and conjugates | NA | NA |
RPLC_34 | 8-Hydroxy-2'-deoxyguanosine | 283.0917 | 111.60000 | NA | NA | NA | C10H13N5O5 | 284.0990 | 282.08440 | Mix_A | Nucleosides and conjugates | NA | NA |
RPLC_35 | 5,7,3,4'-Tetrahydroxyflavanone (Eriodictyol) | 288.0634 | 346.20000 | NA | NA | NA | C15H12O6 | 289.0707 | 287.05610 | Mix_A | Miscellaneous | NA | NA |
RPLC_36 | (-)Epicatechin | 290.079 | 212.40000 | NA | NA | NA | C15H14O6 | 291.0863 | 289.07180 | Mix_A | Miscellaneous | NA | NA |
RPLC_37 | 13-OxoODE | 294.2195 | 581.40000 | NA | NA | NA | C18H30O3 | 295.2268 | 293.21220 | Mix_A | Fatty acids and conjugates | NA | NA |
RPLC_38 | 5'-Deoxy-5'-(methylthio)adenosine | 297.0896 | 249.00000 | NA | NA | NA | C11H15N5O3S | 298.0968 | 296.08230 | Mix_A | Nucleosides and conjugates | NA | NA |
RPLC_39 | 7-Methylguanosine | 297.1073 | 33.00000 | NA | NA | NA | C11H15N5O5 | 298.1146 | 296.10000 | Mix_A | Nucleosides and conjugates | NA | NA |
RPLC_40 | AMP (Adenosine 3'-Monophosphate Hydrate) | 347.0631 | 71.40000 | NA | NA | NA | C10H14N5O7P | 348.0704 | 346.05580 | Mix_A | Nucleosides and conjugates | NA | NA |
RPLC_41 | N,N-Dimethylguanidine sulfate | 87.0796 | 33.00000 | NA | NA | NA | C3H9N3 | 88.0869 | 86.07240 | Mix_B | Nucleosides and conjugates | NA | NA |
RPLC_42 | L-Serine | 105.0426 | 33.00000 | NA | NA | NA | C3H7NO3 | 106.0499 | 104.03530 | Mix_B | Amino acids and conjugates | NA | NA |
RPLC_43 | Levulinic acid | 116.0473 | 39.60000 | NA | NA | NA | C5H8O3 | 117.0546 | 115.04010 | Mix_B | Organic acids and derivatives | NA | NA |
RPLC_44 | cis-L-3-hydroxyproline | 131.0582 | 34.80000 | NA | NA | NA | C5H9NO3 | 132.0655 | 130.05100 | Mix_B | Amino acids and conjugates | NA | NA |
RPLC_45 | L-Ornithine hydrochloride | 132.0899 | 33.00000 | NA | NA | NA | C5H12N2O2 | 133.0972 | 131.08260 | Mix_B | Amino acids and conjugates | NA | NA |
RPLC_46 | L-Aspartic acid | 133.0375 | 33.00000 | NA | NA | NA | C4H7NO4 | 134.0448 | 132.03020 | Mix_B | Amino acids and conjugates | NA | NA |
RPLC_47 | N-methylnicotinamide | 136.0637 | 103.19193 | NA | NA | NA | C7H8N2O | 137.0709 | 135.05640 | Mix_B | Pyridines and derivatives | NA | NA |
RPLC_48 | N-Formyl-L-proline | 143.0582 | 39.60000 | NA | NA | NA | C6H9NO3 | 144.0655 | 142.05100 | Mix_B | Amino acids and conjugates | NA | NA |
RPLC_49 | L-Glutamine | 146.0691 | 33.00000 | NA | NA | NA | C5H10N2O3 | 147.0764 | 145.06190 | Mix_B | Amino acids and conjugates | NA | NA |
RPLC_50 | N-Acetyl-DL-serine | 147.0532 | 33.00000 | NA | NA | NA | C5H9NO4 | 148.0604 | 146.04590 | Mix_B | Amino acids and conjugates | NA | NA |
RPLC_51 | N-Acetyl-L-proline | 157.0739 | 59.37634 | NA | NA | NA | C7H11NO3 | 158.0812 | 156.06660 | Mix_B | Amino acids and conjugates | NA | NA |
RPLC_52 | L-Dihydroorotic acid | 158.0328 | 33.00000 | NA | NA | NA | C5H6N2O4 | 159.0400 | 157.02550 | Mix_B | Organic acids and derivatives | NA | NA |
RPLC_53 | N-Acetyl-D-Valine | 159.0895 | 76.18232 | NA | NA | NA | C7H13NO3 | 160.0968 | 158.08230 | Mix_B | Amino acids and conjugates | NA | NA |
RPLC_54 | L(-)-Carnitine | 161.1052 | 33.00000 | NA | NA | NA | C7H15NO3 | 162.1125 | 160.09790 | Mix_B | Acyl carnitines | NA | NA |
RPLC_55 | N-Acetyl-D-cysteine | 163.0303 | 33.00000 | NA | NA | NA | C5H9NO3S | 164.0376 | 162.02300 | Mix_B | Amino acids and conjugates | NA | NA |
RPLC_56 | N-alpha-acetyl-L-ornithine | 174.1004 | 33.00000 | NA | NA | NA | C7H14N2O3 | 175.1077 | 173.09320 | Mix_B | Amino acids and conjugates | NA | NA |
RPLC_57 | L(+)-Arginine hydrochloride | 174.1117 | 33.00000 | NA | NA | NA | C6H14N4O2 | 175.1190 | 173.10440 | Mix_B | Amino acids and conjugates | NA | NA |
RPLC_58 | N-epsilon-Dimethyl-L-lysine hydrochloride | 174.1368 | 33.00000 | NA | NA | NA | C8H18N2O2 | 175.1441 | 173.12950 | Mix_B | Amino acids and conjugates | NA | NA |
RPLC_59 | N-alpha-Acetyl-L-glutamine | 188.0797 | 33.00000 | NA | NA | NA | C7H12N2O4 | 189.0870 | 187.07240 | Mix_B | Amino acids and conjugates | NA | NA |
RPLC_60 | N-epsilon-acetyl-L-lysine | 188.1161 | 33.00000 | NA | NA | NA | C8H16N2O3 | 189.1234 | 187.10880 | Mix_B | Amino acids and conjugates | NA | NA |
RPLC_61 | N-epsilon-Triimethyl-L-lysine hydrochloride | 188.1525 | 33.00000 | NA | NA | NA | C9H20N2O2 | 189.1598 | 187.14520 | Mix_B | Amino acids and conjugates | NA | NA |
RPLC_62 | L-Tryptophanol | 190.1106 | 36.60000 | NA | NA | NA | C11H14N2O | 191.1179 | 189.10330 | Mix_B | Alcohols and polyols | NA | NA |
RPLC_63 | N-Phenylacetylglycine | 193.0739 | 145.80710 | NA | NA | NA | C10H11NO3 | 194.0812 | 192.06660 | Mix_B | Amino acids and conjugates | NA | NA |
RPLC_64 | O-Hydroxyhippuric acid | 195.0532 | 180.61948 | NA | NA | NA | C9H9NO4 | 196.0604 | 194.04590 | Mix_B | Organic acids and derivatives | NA | NA |
RPLC_65 | L-Tryptophanamide hydrochloride | 203.1059 | 33.00000 | NA | NA | NA | C11H13N3O | 204.1131 | 202.09860 | Mix_B | Amino acids and conjugates | NA | NA |
RPLC_66 | Mannoheptulopyranose (Mannoheptulose) | 210.074 | 274.85302 | NA | NA | NA | C7H14O7 | 211.0812 | 209.06670 | Mix_B | Carbohydrates and conjugates | NA | NA |
RPLC_67 | N-Acetyl-D-glucosamine | 221.0899 | 34.80000 | NA | NA | NA | C8H15NO6 | 222.0972 | 220.08270 | Mix_B | Carbohydrates and conjugates | NA | NA |
RPLC_68 | L-Carnosine | 226.1066 | 33.00000 | NA | NA | NA | C9H14N4O3 | 227.1139 | 225.09930 | Mix_B | Peptides | NA | NA |
RPLC_69 | Resveratrol | 228.0786 | 325.27096 | NA | NA | NA | C14H12O3 | 229.0859 | 227.07140 | Mix_B | Alcohols and polyols | NA | NA |
RPLC_70 | 5-Methyluridine | 258.0852 | 49.17270 | NA | NA | NA | C10H14N2O6 | 259.0925 | 257.07790 | Mix_B | Nucleosides and conjugates | NA | NA |
RPLC_71 | 8-Hydroxyadenosine | 283.0917 | 109.79428 | NA | NA | NA | C10H13N5O5 | 284.0990 | 282.08440 | Mix_B | Nucleosides and conjugates | NA | NA |
RPLC_72 | AMP (Adenosine 5'-monophosphate disodium salt) | 347.0631 | 43.20000 | NA | NA | NA | C10H14N5O7P | 348.0704 | 346.05580 | Mix_B | Nucleosides and conjugates | NA | NA |
RPLC_73 | NADH (?-Nicotinamide adenine dinucleotide, reduced dipotassium salt) | 665.1248 | 181.21970 | NA | NA | NA | C21H29N7O14P2 | 666.1321 | 664.11750 | Mix_B | Pyridines and derivatives | NA | NA |
RPLC_74 | DL-Homocysteine thiolactone hydrochloride | 117.0248 | 34.80000 | NA | NA | NA | C4H7NOS | 118.0321 | 116.01760 | Mix_C | Miscellaneous | NA | NA |
RPLC_75 | L-2,4-Diaminobutyric acid dihydrochloride | 118.0742 | 33.00000 | NA | NA | NA | C4H10N2O2 | 119.0815 | 117.06690 | Mix_C | Amino acids and conjugates | NA | NA |
RPLC_76 | Isethionic acid sodium salt | 125.9987 | 33.00000 | NA | NA | NA | C2H6O4S | 127.0060 | 124.99140 | Mix_C | Alcohols and polyols | NA | NA |
RPLC_77 | Dihydrothymine | 128.0586 | 38.40000 | NA | NA | NA | C5H8N2O2 | 129.0659 | 127.05130 | Mix_C | Nucleosides and conjugates | NA | NA |
RPLC_78 | Glutaconic acid | 130.0266 | 39.60000 | NA | NA | NA | C5H6O4 | 131.0339 | 129.01930 | Mix_C | Organic acids and derivatives | NA | NA |
RPLC_79 | Deamino-Histidine | 140.0586 | 34.80000 | NA | NA | NA | C6H8N2O2 | 141.0659 | 139.05130 | Mix_C | Amino acids and conjugates | NA | NA |
RPLC_80 | Ectoine ((S)-2-Methyl-1,4,5,6-tetrahydropyrimidine-4-carboxylic acid) | 142.0742 | 33.00000 | NA | NA | NA | C6H10N2O2 | 143.0815 | 141.06690 | Mix_C | Nucleosides and conjugates | NA | NA |
RPLC_81 | Gamma-Guanidinobutyric acid | 145.0851 | 33.00000 | NA | NA | NA | C5H11N3O2 | 146.0924 | 144.07780 | Mix_C | Organic acids and derivatives | NA | NA |
RPLC_82 | D(+)-Ribonic acid-?-lactone | 148.0372 | 33.00000 | NA | NA | NA | C5H8O5 | 149.0445 | 147.02990 | Mix_C | Organic acids and derivatives | NA | NA |
RPLC_83 | Indole-2-carboxylic acid | 161.0477 | 265.86504 | NA | NA | NA | C9H7NO2 | 162.0550 | 160.04040 | Mix_C | Organic acids and derivatives | NA | NA |
RPLC_84 | Iberin (3-Methylsulfinylpropyl isothiocyanate) | 163.0126 | 148.81412 | NA | NA | NA | C5H9NOS2 | 164.0198 | 162.00530 | Mix_C | Miscellaneous | NA | NA |
RPLC_85 | Dihydroxyacetone phosphate dilithium salt | 169.998 | 36.60000 | NA | NA | NA | C3H7O6P | 171.0053 | 168.99070 | Mix_C | Aldehydes and cetones | NA | NA |
RPLC_86 | Gabapentin | 171.1259 | 50.47889 | NA | NA | NA | C9H17NO2 | 172.1332 | 170.11860 | Mix_C | Amino acids and conjugates | NA | NA |
RPLC_87 | Hexanoylglycine | 173.1052 | 211.16136 | NA | NA | NA | C8H15NO3 | 174.1125 | 172.09790 | Mix_C | Amino acids and conjugates | NA | NA |
RPLC_88 | Dehydroascorbic acid | 174.0164 | 33.00000 | NA | NA | NA | C6H6O6 | 175.0237 | 173.00920 | Mix_C | Carbohydrates and conjugates | NA | NA |
RPLC_89 | D(-)Mannitol | 182.079 | 33.00000 | NA | NA | NA | C6H14O6 | 183.0863 | 181.07180 | Mix_C | Carbohydrates and conjugates | NA | NA |
RPLC_90 | Indole-3-propionic acid | 189.079 | 288.55257 | NA | NA | NA | C11H11NO2 | 190.0863 | 188.07170 | Mix_C | Indoles and derivatives | NA | NA |
RPLC_91 | DL-5-Hydroxytryptopan | 220.0848 | 34.80000 | NA | NA | NA | C11H12N2O3 | 221.0921 | 219.07750 | Mix_C | Amino acids and conjugates | NA | NA |
RPLC_92 | Flavone | 222.0681 | 488.88958 | NA | NA | NA | C15H10O2 | 223.0754 | 221.06080 | Mix_C | Miscellaneous | NA | NA |
RPLC_93 | Inosine | 268.0808 | 47.64466 | NA | NA | NA | C10H12N4O5 | 269.0881 | 267.07350 | Mix_C | Nucleosides and conjugates | NA | NA |
RPLC_94 | Glycitein (7,4'-Dihydroxy-6-methoxyisoflavone) | 284.0685 | 396.57801 | NA | NA | NA | C16H12O5 | 285.0758 | 283.06120 | Mix_C | Miscellaneous | NA | NA |
RPLC_95 | Hydroxy Tolbutamide | 286.0987 | 309.77928 | NA | NA | NA | C12H18N2O4S | 287.1060 | 285.09150 | Mix_C | Miscellaneous | NA | NA |
RPLC_96 | Eicosapentanoic acid | 302.2246 | 615.00000 | NA | NA | NA | C20H30O2 | 303.2319 | 301.21730 | Mix_C | Fatty acids and conjugates | NA | NA |
RPLC_97 | dCTP (2'-Deoxycytidine 5'-triphosphate disodium salt) | 466.9896 | 265.86504 | NA | NA | NA | C9H16N3O13P3 | 467.9969 | 465.98230 | Mix_C | Nucleosides and conjugates | NA | NA |
RPLC_98 | Pyruvatoxime | 103.026944 | 33.00000 | NA | NA | NA | C3H5NO3 | 104.0342 | 102.01970 | Mix_D | Organic acids and derivatives | NA | NA |
RPLC_99 | Pyrrole-2-carboxylic acid | 111.032029 | 47.33252 | NA | NA | NA | C5H5NO2 | 112.0393 | 110.02470 | Mix_D | Organic acids and derivatives | NA | NA |
RPLC_100 | Succinic Acid | 118.02661 | 33.00000 | NA | NA | NA | C4H6O4 | 119.0339 | 117.01930 | Mix_D | Organic acids and derivatives | NA | NA |
RPLC_101 | Niacinamide | 122.048013 | 51.19935 | NA | NA | NA | C6H6N2O | 123.0553 | 121.04070 | Mix_D | Pyridines and derivatives | NA | NA |
RPLC_102 | Nicotinic acid | 123.032029 | 33.00000 | NA | NA | NA | C6H5NO2 | 124.0393 | 122.02470 | Mix_D | Organic acids and derivatives | NA | NA |
RPLC_103 | Urocanic acid | 138.042928 | 33.00000 | NA | NA | NA | C6H6N2O2 | 139.0502 | 137.03560 | Mix_D | Organic acids and derivatives | NA | NA |
RPLC_104 | Trans-Cinnamic acid | 148.05243 | 308.65063 | NA | NA | NA | C9H8O2 | 149.0597 | 147.04520 | Mix_D | Organic acids and derivatives | NA | NA |
RPLC_105 | Nw-Acetylhistamine | 153.090212 | 33.00000 | NA | NA | NA | C7H11N3O | 154.0975 | 152.08290 | Mix_D | Amines and polyamines | NA | NA |
RPLC_106 | p-Coumaric acid | 164.047345 | 235.75070 | NA | NA | NA | C9H8O3 | 165.0546 | 163.04010 | Mix_D | Organic acids and derivatives | NA | NA |
RPLC_107 | Pyridoxal hydrochloride | 167.058244 | 56.33479 | NA | NA | NA | C8H9NO3 | 168.0655 | 166.05100 | Mix_D | Pyridines and derivatives | NA | NA |
RPLC_108 | Norharmane | 168.068748 | 189.43951 | NA | NA | NA | C11H8N2 | 169.0760 | 167.06150 | Mix_D | Indoles and derivatives | NA | NA |
RPLC_109 | Pyridoxine hydrochloride | 169.0738932 | 33.00000 | NA | NA | NA | C8H11NO3 | 170.0812 | 168.06660 | Mix_D | Pyridines and derivatives | NA | NA |
RPLC_110 | N?-Acetyl-L-asparagine | 174.064058 | 33.00000 | NA | NA | NA | C6H10N2O4 | 175.0713 | 173.05680 | Mix_D | Amino acids and conjugates | NA | NA |
RPLC_111 | O-Phospho-L-Threonine | 199.024577 | 33.00000 | NA | NA | NA | C4H10NO6P | 200.0319 | 198.01730 | Mix_D | Amino acids and conjugates | NA | NA |
RPLC_112 | N?-Acetyl-arginine | 216.122241 | 33.00000 | NA | NA | NA | C8H16N4O3 | 217.1295 | 215.11500 | Mix_D | Amino acids and conjugates | NA | NA |
RPLC_113 | Salsolinol 1-carboxylic acid | 223.084459 | 33.00000 | NA | NA | NA | C11H13NO4 | 224.0917 | 222.07720 | Mix_D | Amino acids and conjugates | NA | NA |
RPLC_114 | Pyridoxal 5'-phosphate monohydrate | 247.024577 | 43.20000 | NA | NA | NA | C8H10NO6P | 248.0319 | 246.01730 | Mix_D | Nucleosides and conjugates | NA | NA |
RPLC_115 | Pyridoxamine-5'-phosphate | 248.056211 | 33.00000 | NA | NA | NA | C8H13N2O5P | 249.0635 | 247.04890 | Mix_D | Nucleosides and conjugates | NA | NA |
RPLC_116 | Oleamide | 281.271864 | 631.80000 | NA | NA | NA | C18H35NO | 282.2791 | 280.26460 | Mix_D | Lipids | NA | NA |
RPLC_117 | Orotidine | 288.059368 | 33.00000 | NA | NA | NA | C10H12N2O8 | 289.0666 | 287.05210 | Mix_D | Nucleosides and conjugates | NA | NA |
RPLC_118 | Quercitin dihydrate | 302.042654 | 391.21772 | NA | NA | NA | C15H10O7 | 303.0499 | 301.03540 | Mix_D | Carbohydrates and conjugates | NA | NA |
RPLC_119 | Phytosphingosine | 317.292994 | 484.07090 | NA | NA | NA | C18H39NO3 | 318.3003 | 316.28570 | Mix_D | Fatty acids and conjugates | NA | NA |
RPLC_120 | TMP (Thymidine 5'-monophosphate disodium salt hydrate) | 322.056606 | 45.39409 | NA | NA | NA | C10H15N2O8P | 323.0639 | 321.04930 | Mix_D | Nucleosides and conjugates | NA | NA |
RPLC_121 | NMN (?-Nicotinamide mononucleotide) | 334.056606 | 33.00000 | NA | NA | NA | C11H15N2O8P | 335.0639 | 333.04930 | Mix_D | Pyridines and derivatives | NA | NA |
RPLC_122 | Nicotinic acid mononucleotide | 335.040622 | 33.00000 | NA | NA | NA | C11H14NO9P | 336.0479 | 334.03330 | Mix_D | Pyridines and derivatives | NA | NA |
RPLC_123 | S-Nitroso-L-Glutathione | 336.073973 | 33.00000 | NA | NA | NA | C10H16N4O7S | 337.0813 | 335.06670 | Mix_D | Peptides | NA | NA |
RPLC_124 | Ursodeoxycholic acid | 392.29266 | 543.60000 | NA | NA | NA | C24H40O4 | 393.2999 | 391.28540 | Mix_D | Steroids and derivatives | NA | NA |
RPLC_125 | Acrylamide | 71.037114 | 33.00000 | NA | NA | NA | C3H5NO | 72.0444 | 70.02980 | Mix_E | Aldehydes and cetones | NA | NA |
RPLC_126 | Cis-Urocanic acid | 138.042928 | 33.00000 | NA | NA | NA | C6H6N2O2 | 139.0502 | 137.03560 | Mix_E | Organic acids and derivatives | NA | NA |
RPLC_127 | Allantoic acid (Diureidoacetic acid) | 176.054556 | 33.00000 | NA | NA | NA | C4H8N4O4 | 177.0618 | 175.04730 | Mix_E | Amino acids and conjugates | NA | NA |
RPLC_128 | Citric acid | 192.027005 | 36.00000 | NA | NA | NA | C6H8O7 | 193.0343 | 191.01970 | Mix_E | Organic acids and derivatives | NA | NA |
RPLC_129 | D-Pantothenic acid Calcium salt | 218.102849 | 320.98356 | NA | NA | NA | C9H16NO5 | 219.1101 | 217.09560 | Mix_E | Organic acids and derivatives | NA | NA |
RPLC_130 | Cyclo(-His-Pro) | 234.111676 | 33.00000 | NA | NA | NA | C11H14N4O2 | 235.1190 | 233.10440 | Mix_E | Peptides | NA | NA |
RPLC_131 | Coenzyme Q1 (Ubiquinone) | 250.12051 | 485.91898 | NA | NA | NA | C14H18O4 | 251.1278 | 249.11320 | Mix_E | Lipids | NA | NA |
RPLC_132 | Arbutin | 272.089605 | 36.00000 | NA | NA | NA | C12H16O7 | 273.0969 | 271.08230 | Mix_E | Carbohydrates and conjugates | NA | NA |
RPLC_133 | Biochanin A (5,7-Dihydroxy-4'-methoxyisoflavone) | 284.068475 | 472.77196 | NA | NA | NA | C16H12O5 | 285.0758 | 283.06120 | Mix_E | Miscellaneous | NA | NA |
RPLC_134 | Cinnabarinic acid (Cinnavalinic acid) | 300.038238 | 378.94999 | NA | NA | NA | C14H8N2O6 | 301.0455 | 299.03100 | Mix_E | Organic acids and derivatives | NA | NA |
RPLC_135 | All-trans 4-Keto Retinoic acid | 314.188195 | 576.60000 | NA | NA | NA | C20H26O3 | 315.1955 | 313.18090 | Mix_E | Fatty acids and conjugates | NA | NA |
RPLC_136 | cAMP (Adenosine 3',5'-cyclic monophosphate) | 329.052523 | 120.79020 | NA | NA | NA | C10H12N5O6P | 330.0598 | 328.04520 | Mix_E | Nucleosides and conjugates | NA | NA |
RPLC_137 | Carnosic acid (from Rosmarinus officinalis) | 332.19876 | 555.00000 | NA | NA | NA | C20H28O4 | 333.2060 | 331.19150 | Mix_E | Fatty acids and conjugates | NA | NA |
RPLC_138 | cGMP (Guanosine 3',5'-cyclic monophosphate sodium salt) | 345.047437 | 77.16597 | NA | NA | NA | C10H12N5O7P | 346.0547 | 344.04020 | Mix_E | Nucleosides and conjugates | NA | NA |
RPLC_139 | d-ribo Phytosphingosine 1-Phosphate | 397.259327 | 555.00000 | NA | NA | NA | C18H40NO6P | 398.2666 | 396.25200 | Mix_E | Lipids | NA | NA |
RPLC_140 | CTP (Cytidine-5'-triphosphate disodium salt dihydrate) | 519.005651 | 77.16597 | NA | NA | NA | C9H20N3O16P3 | 520.0129 | 517.99840 | Mix_E | Nucleosides and conjugates | NA | NA |
RPLC_141 | L-Threonine allo free | 119.058244 | 33.00000 | NA | NA | NA | C4H9NO3 | 120.0655 | 118.05100 | Mix_F | Amino acids and conjugates | NA | NA |
RPLC_142 | L-Hydroxyproline | 131.058244 | 33.00000 | NA | NA | NA | C5H9NO3 | 132.0655 | 130.05100 | Mix_F | Amino acids and conjugates | NA | NA |
RPLC_143 | L-Asparagine monohydrate | 132.053493 | 33.00000 | NA | NA | NA | C4H8N2O3 | 133.0608 | 131.04620 | Mix_F | Amino acids and conjugates | NA | NA |
RPLC_144 | L-(+)-Lysine Monohydrate | 146.105528 | 33.00000 | NA | NA | NA | C6H14N2O2 | 147.1128 | 145.09820 | Mix_F | Amino acids and conjugates | NA | NA |
RPLC_145 | L-Glutamic acid 5-methyl ester | 161.068808 | 33.00000 | NA | NA | NA | C6H11NO4 | 162.0761 | 160.06150 | Mix_F | Amino acids and conjugates | NA | NA |
RPLC_146 | DL-o-Tyrosine | 181.073894 | 33.00000 | NA | NA | NA | C9H11NO3 | 182.0812 | 180.06660 | Mix_F | Amino acids and conjugates | NA | NA |
RPLC_147 | L-Tyrosine | 181.073894 | 33.00000 | NA | NA | NA | C9H11NO3 | 182.0812 | 180.06660 | Mix_F | Amino acids and conjugates | NA | NA |
RPLC_148 | N-alpha-acetyl-L-lysine | 188.116093 | 33.00000 | NA | NA | NA | C8H16N2O3 | 189.1234 | 187.10880 | Mix_F | Amino acids and conjugates | NA | NA |
RPLC_149 | N-Acetyl-L-Tyrosine | 223.084459 | 127.72450 | NA | NA | NA | C11H13NO4 | 224.0917 | 222.07720 | Mix_F | Amino acids and conjugates | NA | NA |
RPLC_150 | Galactinol | 342.116215 | 34.80000 | NA | NA | NA | C12H22O11 | 343.1235 | 341.10890 | Mix_F | Carbohydrates and conjugates | NA | NA |
RPLC_151 | Vitamin K1 | 450.34978 | 679.20000 | NA | NA | NA | C31H46O2 | 451.3571 | 449.34250 | Mix_F | Lipids | NA | NA |
RPLC_152 | 1,2,3,4-Tetrahydro-6,7-isoquinolinediol hydrobromide | 165.078979 | 33.00000 | NA | NA | NA | C9H11NO2 | 166.0863 | 164.07170 | Mix_F | Miscellaneous | NA | NA |
RPLC_153 | (+)-Catechin hydrate | 290.07904 | 174.14399 | NA | NA | NA | C15H14O6 | 291.0863 | 289.07180 | Mix_F | Miscellaneous | NA | NA |
RPLC_154 | 1-Methyladenine | 149.070145 | 119.24377 | NA | NA | NA | C6H7N5 | 150.0774 | 148.06290 | Mix_F | Nucleosides and conjugates | NA | NA |
RPLC_155 | N6-Methyladenine | 149.070145 | 119.24377 | NA | NA | NA | C6H7N5 | 150.0774 | 148.06290 | Mix_F | Nucleosides and conjugates | NA | NA |
RPLC_156 | Xanthine | 152.033426 | 45.00000 | NA | NA | NA | C5H4N4O2 | 153.0407 | 151.02610 | Mix_F | Nucleosides and conjugates | NA | NA |
RPLC_157 | 7-methylguanine | 165.06506 | 71.46982 | NA | NA | NA | C6H7N5O | 166.0723 | 164.05780 | Mix_F | Nucleosides and conjugates | NA | NA |
RPLC_158 | 8-Hydroxy-2'-deoxyguanosine | 283.09167 | 127.72450 | NA | NA | NA | C10H13N5O5 | 284.0990 | 282.08440 | Mix_F | Nucleosides and conjugates | NA | NA |
RPLC_159 | dGDP (2'-Deoxyguanosine-5'-monophosphate, Sodium salt hydrate) | 347.063088 | 50.68565 | NA | NA | NA | C10H14N5O7P | 348.0704 | 346.05580 | Mix_F | Nucleosides and conjugates | NA | NA |
RPLC_160 | ?-Aminobutyric acid | 103.063329 | 33.00000 | NA | NA | NA | C4H9NO2 | 104.0706 | 102.05600 | Mix_F | Organic acids and derivatives | NA | NA |
RPLC_161 | 4-Imidazoleacetic acid hydrochloride | 126.042928 | 33.00000 | NA | NA | NA | C5H6N2O2 | 127.0502 | 125.03560 | Mix_F | Organic acids and derivatives | NA | NA |
RPLC_162 | L-Pyroglutamic acid | 129.042594 | 33.00000 | NA | NA | NA | C5H7NO3 | 130.0499 | 128.03530 | Mix_F | Organic acids and derivatives | NA | NA |
RPLC_163 | Dimethylmalonic acid | 132.04226 | 39.60000 | NA | NA | NA | C5H8O4 | 133.0495 | 131.03500 | Mix_F | Organic acids and derivatives | NA | NA |
RPLC_164 | 1-Methyl-4-imidazoleacetic acid | 140.058578 | 33.00000 | NA | NA | NA | C6H8N2O2 | 141.0659 | 139.05130 | Mix_F | Organic acids and derivatives | NA | NA |
RPLC_165 | 4-Guanidinobutyric acid | 145.085127 | 33.00000 | NA | NA | NA | C5H11O2N3 | 146.0924 | 144.07780 | Mix_F | Organic acids and derivatives | NA | NA |
RPLC_166 | ?-Ketoglutaric acid | 146.021525 | 33.00000 | NA | NA | NA | C5H6O5 | 147.0288 | 145.01420 | Mix_F | Organic acids and derivatives | NA | NA |
RPLC_167 | 2-Oxoglutaric acid | 146.021525 | 33.00000 | NA | NA | NA | C5H6O5 | 147.0288 | 145.01420 | Mix_F | Organic acids and derivatives | NA | NA |
RPLC_168 | L-2-Aminoadipic acid | 161.068809 | 33.00000 | NA | NA | NA | C6H11NO4 | 162.0761 | 160.06150 | Mix_F | Organic acids and derivatives | NA | NA |
RPLC_169 | 4-Pyridoxic acid | 183.053159 | 58.17477 | NA | NA | NA | C8H9NO4 | 184.0604 | 182.04590 | Mix_F | Organic acids and derivatives | NA | NA |
RPLC_170 | 2-Methylhippuric acid | 193.073894 | 149.27535 | NA | NA | NA | C10H11NO3 | 194.0812 | 192.06660 | Mix_F | Organic acids and derivatives | NA | NA |
RPLC_171 | L-Alanylglycine | 146.069143 | 33.00000 | NA | NA | NA | C5H10N2O3 | 147.0764 | 145.06190 | Mix_F | Peptides | NA | NA |
RPLC_172 | L-glycyl-L-hydroxyproline (Gly-Hyp-OH) | 188.079708 | 33.00000 | NA | NA | NA | C7H12N2O4 | 189.0870 | 187.07240 | Mix_F | Peptides | NA | NA |
RPLC_173 | glycine | NA | 33.00000 | NA | NA | NA | NA | 76.0393 | 74.02480 | Mix_MM | NA | NA | NA |
RPLC_174 | trimethylamine-N-oxide | NA | 33.00000 | NA | NA | NA | NA | 76.0762 | 74.06060 | Mix_MM | NA | NA | NA |
RPLC_175 | GABA | NA | 33.00000 | NA | NA | NA | NA | 104.0712 | 102.05550 | Mix_MM | NA | NA | NA |
RPLC_176 | aminoisobutyric acid | NA | 33.00000 | NA | NA | NA | NA | 104.0706 | 102.05610 | Mix_MM | NA | NA | NA |
RPLC_177 | dimethylglycine | NA | 33.00000 | NA | NA | NA | NA | 104.0706 | 102.05610 | Mix_MM | NA | NA | NA |
RPLC_178 | serine | NA | 34.80000 | NA | NA | NA | NA | 106.0499 | 104.03530 | Mix_MM | NA | NA | NA |
RPLC_179 | creatinine | NA | 33.00000 | NA | NA | NA | NA | 114.0667 | 112.05110 | Mix_MM | NA | NA | NA |
RPLC_180 | guanidinoacetic acid | NA | 33.00000 | NA | NA | NA | NA | 118.0611 | 116.04660 | Mix_MM | NA | NA | NA |
RPLC_181 | betaine | NA | 34.80000 | NA | NA | NA | NA | 118.0863 | 116.07170 | Mix_MM | NA | NA | NA |
RPLC_182 | valine | NA | 34.80000 | NA | NA | NA | NA | 118.0863 | 116.07170 | Mix_MM | NA | NA | NA |
RPLC_183 | homoserine | NA | 33.00000 | NA | NA | NA | NA | 120.0655 | 118.05100 | Mix_MM | NA | NA | NA |
RPLC_184 | threonine | NA | 33.00000 | NA | NA | NA | NA | 120.0655 | 118.05100 | Mix_MM | NA | NA | NA |
RPLC_185 | taurine | NA | 34.80000 | NA | NA | NA | NA | 126.0219 | 124.00740 | Mix_MM | NA | NA | NA |
RPLC_186 | valine-d8 | NA | 33.00000 | NA | NA | NA | NA | 126.1365 | 124.05020 | Mix_MM | NA | NA | NA |
RPLC_187 | 5-aminolevulinic acid | NA | 33.00000 | NA | NA | NA | NA | 132.0655 | 130.05100 | Mix_MM | NA | NA | NA |
RPLC_188 | hydroxyproline | NA | 33.00000 | NA | NA | NA | NA | 132.0655 | 130.05100 | Mix_MM | NA | NA | NA |
RPLC_189 | creatine | NA | 33.00000 | NA | NA | NA | NA | 132.0768 | 130.06220 | Mix_MM | NA | NA | NA |
RPLC_190 | aspartate | NA | 33.00000 | NA | NA | NA | NA | 134.0448 | 132.03020 | Mix_MM | NA | NA | NA |
RPLC_191 | anthranilic acid | NA | 116.00888 | NA | NA | NA | NA | 138.0550 | 136.04040 | Mix_MM | NA | NA | NA |
RPLC_192 | phosphoethanolamine | NA | 33.00000 | NA | NA | NA | NA | 142.0264 | 140.01180 | Mix_MM | NA | NA | NA |
RPLC_193 | acetylcholine | NA | 33.00000 | NA | NA | NA | NA | 146.1176 | 144.10300 | Mix_MM | NA | NA | NA |
RPLC_194 | butyrobetaine | NA | 33.00000 | NA | NA | NA | NA | 146.1176 | 144.10300 | Mix_MM | NA | NA | NA |
RPLC_195 | glutamine | NA | 39.60000 | NA | NA | NA | NA | 147.0764 | 145.06190 | Mix_MM | NA | NA | NA |
RPLC_196 | lysine | NA | 33.00000 | NA | NA | NA | NA | 147.1128 | 145.09830 | Mix_MM | NA | NA | NA |
RPLC_197 | glutamate | NA | 33.00000 | NA | NA | NA | NA | 148.0604 | 146.04590 | Mix_MM | NA | NA | NA |
RPLC_198 | allantoin | NA | 34.80000 | NA | NA | NA | NA | 159.0513 | 157.03670 | Mix_MM | NA | NA | NA |
RPLC_199 | methionine sulfoxide | NA | 33.00000 | NA | NA | NA | NA | 166.0532 | 164.03870 | Mix_MM | NA | NA | NA |
RPLC_200 | phenylalanine | NA | 33.00000 | NA | NA | NA | NA | 166.0863 | 164.07170 | Mix_MM | NA | NA | NA |
RPLC_201 | pyridoxine | NA | 33.00000 | NA | NA | NA | NA | 170.0812 | 168.06660 | Mix_MM | NA | NA | NA |
RPLC_202 | phenylalanine-d8 | NA | 33.00000 | NA | NA | NA | NA | 174.1365 | 172.12190 | Mix_MM | NA | NA | NA |
RPLC_203 | arginine | NA | 33.00000 | NA | NA | NA | NA | 175.1190 | 173.10440 | Mix_MM | NA | NA | NA |
RPLC_204 | citrulline | NA | 33.00000 | NA | NA | NA | NA | 176.1030 | 174.08840 | Mix_MM | NA | NA | NA |
RPLC_205 | cotinine | NA | 173.42627 | NA | NA | NA | NA | 177.1022 | 175.08770 | Mix_MM | NA | NA | NA |
RPLC_206 | serotonin | NA | 173.42627 | NA | NA | NA | NA | 177.1022 | 175.08770 | Mix_MM | NA | NA | NA |
RPLC_207 | tyrosine | NA | 33.00000 | NA | NA | NA | NA | 182.0812 | 180.06660 | Mix_MM | NA | NA | NA |
RPLC_208 | NMMA (Tilarginine) | NA | 33.00000 | NA | NA | NA | NA | 189.1346 | 187.12000 | Mix_MM | NA | NA | NA |
RPLC_209 | kynurenic acid | NA | 180.00535 | NA | NA | NA | NA | 190.0499 | 188.03530 | Mix_MM | NA | NA | NA |
RPLC_210 | 5-HIAA | NA | 36.60000 | NA | NA | NA | NA | 192.0655 | 190.05100 | Mix_MM | NA | NA | NA |
RPLC_211 | metanephrine | NA | 33.00000 | NA | NA | NA | NA | 198.1130 | 196.09790 | Mix_MM | NA | NA | NA |
RPLC_212 | tryptophan | NA | 48.42382 | NA | NA | NA | NA | 205.0972 | 203.08260 | Mix_MM | NA | NA | NA |
RPLC_213 | kyurenine | NA | 36.60000 | NA | NA | NA | NA | 209.0926 | 207.07700 | Mix_MM | NA | NA | NA |
RPLC_214 | 3-chlorotyrosine | NA | 38.40000 | NA | NA | NA | NA | 216.0422 | 214.02760 | Mix_MM | NA | NA | NA |
RPLC_215 | 5-hydroxytryptophan | NA | 48.42382 | NA | NA | NA | NA | 221.0921 | 219.07750 | Mix_MM | NA | NA | NA |
RPLC_216 | 3-nitrotyrosine | NA | 48.42382 | NA | NA | NA | NA | 227.0662 | 225.05170 | Mix_MM | NA | NA | NA |
RPLC_217 | 2-deoxyuridine | Nucleside | 41.40000 | NA | NA | NA | C9H12N2O5 | 229.0819 | 227.06730 | Mix_MM | NA | NA | NA |
RPLC_218 | anserine | NA | 38.40000 | NA | NA | NA | NA | 241.1295 | 239.11500 | Mix_MM | NA | NA | NA |
RPLC_219 | thymidine | NA | 87.30018 | NA | NA | NA | NA | 243.0975 | 241.08300 | Mix_MM | NA | NA | NA |
RPLC_220 | 2-deoxyadenosine | NA | 159.67002 | NA | NA | NA | NA | 252.1091 | 250.09460 | Mix_MM | NA | NA | NA |
RPLC_221 | C6 carnitine (hexanoylcarnitine) | NA | 194.95780 | NA | NA | NA | NA | 260.1856 | 258.17110 | Mix_MM | NA | NA | NA |
RPLC_222 | atenolol | NA | 75.33822 | NA | NA | NA | NA | 267.1703 | 265.15580 | Mix_MM | NA | NA | NA |
RPLC_223 | adenosine | NA | 110.62600 | NA | NA | NA | NA | 268.1040 | 266.08950 | Mix_MM | NA | NA | NA |
RPLC_224 | C7 carnitine (heptanoylcarnitine) | NA | 251.77709 | NA | NA | NA | NA | 274.2018 | 272.18620 | Mix_MM | NA | NA | NA |
RPLC_225 | xanthosine | NA | 61.58197 | NA | NA | NA | NA | 285.0830 | 283.06840 | Mix_MM | NA | NA | NA |
RPLC_226 | C8 carnitine (octanoylcarnitine) | NA | 306.80210 | NA | NA | NA | NA | 288.2169 | 286.20240 | Mix_MM | NA | NA | NA |
RPLC_227 | methylthioadenosine | NA | 246.99231 | NA | NA | NA | NA | 298.0968 | 296.08230 | Mix_MM | NA | NA | NA |
RPLC_228 | C9 carnitine (nonanoylcarnitine) | NA | 336.70699 | NA | NA | NA | NA | 302.2331 | 300.21750 | Mix_MM | NA | NA | NA |
RPLC_229 | C10 carnitine (decanoylcarnitine) | NA | 397.11487 | NA | NA | NA | NA | 316.2488 | 314.23320 | Mix_MM | NA | NA | NA |
RPLC_230 | cAMP | NA | 126.17654 | NA | NA | NA | NA | 330.0598 | 328.04520 | Mix_MM | NA | NA | NA |
RPLC_231 | C12:1 carnitine (dodecenoylcarnitine) | NA | 369.00427 | NA | NA | NA | NA | 342.2644 | 340.24880 | Mix_MM | NA | NA | NA |
RPLC_232 | C12 carnitine (dodecanoylcarnitine) | NA | 535.80000 | NA | NA | NA | NA | 344.2795 | 342.26500 | Mix_MM | NA | NA | NA |
RPLC_233 | cGMP | NA | 80.12301 | NA | NA | NA | NA | 346.0547 | 344.04020 | Mix_MM | NA | NA | NA |
RPLC_234 | C14 carnitine (myristoylcarnitine) | NA | 519.12684 | NA | NA | NA | NA | 372.3108 | 370.29630 | Mix_MM | NA | NA | NA |
RPLC_235 | 5-adenosylhomocysteine | NA | 90.29067 | NA | NA | NA | NA | 385.1289 | 383.11430 | Mix_MM | NA | NA | NA |
RPLC_236 | s-adenosylmethionine | NA | 510.75347 | NA | NA | NA | NA | 399.1445 | 397.13000 | Mix_MM | NA | NA | NA |
RPLC_237 | C16 carnitine (palmitoylcarnitine) | NA | 564.60000 | NA | NA | NA | NA | 400.3421 | 398.32760 | Mix_MM | NA | NA | NA |
RPLC_238 | lisinopril | NA | 117.80317 | NA | NA | NA | NA | 406.2336 | 404.21910 | Mix_MM | NA | NA | NA |
RPLC_239 | carvedilol | NA | 350.46324 | NA | NA | NA | NA | 407.1965 | 405.18200 | Mix_MM | NA | NA | NA |
RPLC_240 | C18:1 carnitine (oleylcarnitine) | NA | 573.00000 | NA | NA | NA | NA | 426.3583 | 424.34270 | Mix_MM | NA | NA | NA |
RPLC_241 | glipizide | NA | 470.68091 | NA | NA | NA | NA | 446.1857 | 444.17110 | Mix_MM | NA | NA | NA |
RPLC_242 | verapamil | NA | 375.58335 | NA | NA | NA | NA | 455.2904 | 453.27590 | Mix_MM | NA | NA | NA |
RPLC_243 | sildenafil | NA | 390.53580 | NA | NA | NA | NA | 475.2122 | 473.19760 | Mix_MM | NA | NA | NA |
RPLC_244 | atorvastatin | NA | 519.12684 | NA | NA | NA | NA | 559.2603 | 557.24570 | Mix_MM | NA | NA | NA |
RPLC_245 | triiodothyronine | NA | 392.33009 | NA | NA | NA | NA | 651.7973 | 649.78280 | Mix_MM | NA | NA | NA |
RPLC_246 | thyroxine | NA | 432.40265 | NA | NA | NA | NA | 777.6940 | 775.67940 | Mix_MM | NA | NA | NA |
RPLC_247 | PURINE | 120.0436 | 90.00000 | NA | NA | NA | C5H4N4 | 121.0514 | 119.03580 | Pool_1 | NA | NA | NA |
RPLC_248 | 3-METHYGLUTARIC ACID | 146.05791 | 93.09334 | NA | NA | NA | C6H10O4 | 147.0657 | 145.05010 | Pool_1 | NA | NA | NA |
RPLC_249 | D-RIBOSE | 150.05283 | 179.91823 | NA | NA | NA | C5H10O5 | 151.0606 | 149.04500 | Pool_1 | NA | NA | NA |
RPLC_250 | PHOSPHOCHOLINE | 183.06604 | 539.45486 | NA | NA | NA | C5H14NO4P | 184.0738 | 182.05820 | Pool_1 | NA | NA | NA |
RPLC_251 | AZELAIC ACID | 188.10486 | 312.77780 | NA | NA | NA | C9H16O4 | 189.1127 | 187.09710 | Pool_1 | NA | NA | NA |
RPLC_252 | L-KYNURENINE | 208.08479 | 58.80000 | NA | NA | NA | C10H12N2O3 | 209.0926 | 207.07700 | Pool_1 | NA | NA | NA |
RPLC_253 | DETHIOBIOTIN | 214.13174 | 288.88638 | NA | NA | NA | C10H18N2O3 | 215.1395 | 213.12390 | Pool_1 | NA | NA | NA |
RPLC_254 | N-ACETYLSEROTONIN | 218.10553 | 323.84943 | NA | NA | NA | C12H14N2O2 | 219.1133 | 217.09770 | Pool_1 | NA | NA | NA |
RPLC_255 | ALPHA-D-GLUCOSE 1-PHOSPHATE | 260.02972 | 34.80000 | NA | NA | NA | C6H13O9P | 261.0375 | 259.02190 | Pool_1 | NA | NA | NA |
RPLC_256 | THIAMINE | 265.11231 | 246.34801 | NA | NA | NA | C12H17N4OS | 266.1201 | 264.10450 | Pool_1 | NA | NA | NA |
RPLC_257 | ADENOSINE 2',3'-CYCLIC MONOPHOSPHATE | 267.09676 | 232.94551 | NA | NA | NA | C10H13N5O4 | 268.1046 | 266.08900 | Pool_1 | NA | NA | NA |
RPLC_258 | PETROSELINIC ACID | 282.25588 | 790.80000 | NA | NA | NA | C18H34O2 | 283.2637 | 281.24810 | Pool_1 | NA | NA | NA |
RPLC_259 | N-ACETYLNEURAMINATE | 309.10598 | 34.80000 | NA | NA | NA | C11H19NO9 | 310.1138 | 308.09820 | Pool_1 | NA | NA | NA |
RPLC_260 | CORTISOL | 362.20933 | 644.40000 | NA | NA | NA | C21H30O5 | 363.2171 | 361.20150 | Pool_1 | NA | NA | NA |
RPLC_261 | CHOLESTERYL ACETATE | 428.36543 | 714.60000 | NA | NA | NA | C29H48O2 | 429.3732 | 427.35760 | Pool_1 | NA | NA | NA |
RPLC_262 | DIACETYL | 86.03678 | 34.80000 | NA | NA | NA | C4H6O2 | 87.0446 | 85.02900 | Pool_2 | NA | NA | NA |
RPLC_263 | 2-METHYLPROPANOATE | 88.05243 | 391.59804 | NA | NA | NA | C4H8O2 | 89.0602 | 87.04460 | Pool_2 | NA | NA | NA |
RPLC_264 | ANILINE | 93.05785 | 59.40000 | NA | NA | NA | C6H7N | 94.0657 | 92.05010 | Pool_2 | NA | NA | NA |
RPLC_265 | PENTANOATE | 102.06808 | 391.59804 | NA | NA | NA | C5H10O2 | 103.0759 | 101.06030 | Pool_2 | NA | NA | NA |
RPLC_266 | CYTOSINE | 111.04326 | 33.60000 | NA | NA | NA | C4H5N3O | 112.0511 | 110.03550 | Pool_2 | NA | NA | NA |
RPLC_267 | MALEIC ACID | 116.01096 | 64.20000 | NA | NA | NA | C4H4O4 | 117.0188 | 115.00320 | Pool_2 | NA | NA | NA |
RPLC_268 | NICOTINATE | 123.03203 | 45.60000 | NA | NA | NA | C6H5NO2 | 124.0398 | 122.02420 | Pool_2 | NA | NA | NA |
RPLC_269 | HEPTANOIC ACID | 130.09938 | 300.35370 | NA | NA | NA | C7H14O2 | 131.1072 | 129.09160 | Pool_2 | NA | NA | NA |
RPLC_270 | 3-UREIDOPROPIONATE | 132.05349 | 34.80000 | NA | NA | NA | C4H8N2O3 | 133.0613 | 131.04570 | Pool_2 | NA | NA | NA |
RPLC_271 | PHENYL ACETATE | 136.05243 | 315.46423 | NA | NA | NA | C8H8O2 | 137.0602 | 135.04460 | Pool_2 | NA | NA | NA |
RPLC_272 | L-HISTIDINOL | 141.09021 | 830.40000 | NA | NA | NA | C6H11N3O | 142.0980 | 140.08240 | Pool_2 | NA | NA | NA |
RPLC_273 | D-XYLOSE | 150.05283 | 179.46948 | NA | NA | NA | C5H10O5 | 151.0606 | 149.04500 | Pool_2 | NA | NA | NA |
RPLC_274 | 2',4'-DIHYDROXYACETOPHENONE | 152.04735 | 213.75875 | NA | NA | NA | C8H8O3 | 153.0552 | 151.03960 | Pool_2 | NA | NA | NA |
RPLC_275 | (S)-NICOTINE | 162.1157 | 828.60000 | NA | NA | NA | C10H14N2 | 163.1235 | 161.10790 | Pool_2 | NA | NA | NA |
RPLC_276 | SUBERIC ACID | 174.08921 | 250.37272 | NA | NA | NA | C8H14O4 | 175.0970 | 173.08140 | Pool_2 | NA | NA | NA |
RPLC_277 | D-SORBITOL | 180.06339 | 175.40126 | NA | NA | NA | C6H12O6 | 181.0712 | 179.05560 | Pool_2 | NA | NA | NA |
RPLC_278 | 4-HYDROXY-2-QUINOLINECARBOXYLIC ACID | 189.04259 | 210.27171 | NA | NA | NA | C10H7NO3 | 190.0504 | 188.03480 | Pool_2 | NA | NA | NA |
RPLC_279 | D-TRYPTOPHAN | 204.08988 | 97.20000 | NA | NA | NA | C11H12N2O2 | 205.0977 | 203.08210 | Pool_2 | NA | NA | NA |
RPLC_280 | MYRISTIC ACID | 228.20893 | 683.40000 | NA | NA | NA | C14H28O2 | 229.2167 | 227.20110 | Pool_2 | NA | NA | NA |
RPLC_281 | PALMITOLEIC ACID | 254.22458 | 707.40000 | NA | NA | NA | C16H30O2 | 255.2324 | 253.21680 | Pool_2 | NA | NA | NA |
RPLC_282 | ALPHA-D-GALACTOSE 1-PHOSPHATE | 260.02971 | 34.80000 | NA | NA | NA | C6H13O9P | 261.0375 | 259.02190 | Pool_2 | NA | NA | NA |
RPLC_283 | ADENOSINE | 267.09676 | 94.03688 | NA | NA | NA | C10H13N5O4 | 268.1046 | 266.08900 | Pool_2 | NA | NA | NA |
RPLC_284 | INOSINE | 268.08077 | 66.00000 | NA | NA | NA | C10H12N4O5 | 269.0886 | 267.07300 | Pool_2 | NA | NA | NA |
RPLC_285 | ELAIDIC ACID | 282.25588 | 792.00000 | NA | NA | NA | C18H34O2 | 283.2637 | 281.24810 | Pool_2 | NA | NA | NA |
RPLC_286 | CYTIDINE 2',3'-CYCLIC MONO-PHOS-PHATE | 305.04129 | 36.60000 | NA | NA | NA | C9H12N3O7P | 306.0491 | 304.03350 | Pool_2 | NA | NA | NA |
RPLC_287 | THYMIDINE 5'-MONOPHOSPHATE | 322.05661 | 81.83222 | NA | NA | NA | C10H15N2O8P | 323.0644 | 321.04880 | Pool_2 | NA | NA | NA |
RPLC_288 | BETA-ALANINE | 89.04768 | 43.80000 | NA | NA | NA | C3H7NO2 | 90.0555 | 88.03990 | Pool_3 | NA | NA | NA |
RPLC_289 | 4-IMIDAZOLEACETIC ACID | 126.04293 | 89.70240 | NA | NA | NA | C5H6N2O2 | 127.0507 | 125.03510 | Pool_3 | NA | NA | NA |
RPLC_290 | 5-OXO-D-PROLINE | 129.04259 | 40.20000 | NA | NA | NA | C5H7NO3 | 130.0504 | 128.03480 | Pool_3 | NA | NA | NA |
RPLC_291 | 4-METHYL-2-OXO-PENTANOIC ACID | 130.06299 | 57.60000 | NA | NA | NA | C6H10O3 | 131.0708 | 129.05520 | Pool_3 | NA | NA | NA |
RPLC_292 | CIS-4-HYDROXY-D-PROLINE | 131.05824 | 43.80000 | NA | NA | NA | C5H9NO3 | 132.0660 | 130.05040 | Pool_3 | NA | NA | NA |
RPLC_293 | MANDELIC ACID | 152.04734 | 214.39694 | NA | NA | NA | C8H8O3 | 153.0551 | 151.03950 | Pool_3 | NA | NA | NA |
RPLC_294 | PYRIDINE-2,3-DICARBOXYLATE | 167.02186 | 219.61672 | NA | NA | NA | C7H5NO4 | 168.0297 | 166.01410 | Pool_3 | NA | NA | NA |
RPLC_295 | INDOLE-3-ACETATE | 175.06333 | 324.01215 | NA | NA | NA | C10H9NO2 | 176.0711 | 174.05550 | Pool_3 | NA | NA | NA |
RPLC_296 | CAFFEATE | 180.04226 | 536.28287 | NA | NA | NA | C9H8O4 | 181.0501 | 179.03450 | Pool_3 | NA | NA | NA |
RPLC_297 | 4-PYRIDOXATE | 183.05316 | 79.80000 | NA | NA | NA | C8H9NO4 | 184.0610 | 182.04540 | Pool_3 | NA | NA | NA |
RPLC_298 | LAURIC ACID | 200.17763 | 465.52597 | NA | NA | NA | C12H24O2 | 201.1854 | 199.16980 | Pool_3 | NA | NA | NA |
RPLC_299 | D-SACCHARIC ACID | 210.03757 | 34.80000 | NA | NA | NA | C6H10O8 | 211.0454 | 209.02980 | Pool_3 | NA | NA | NA |
RPLC_300 | 3-NITRO-L-TYROSINE | 226.05897 | 84.60000 | NA | NA | NA | C9H10N2O5 | 227.0668 | 225.05120 | Pool_3 | NA | NA | NA |
RPLC_301 | LUMICHROME | 242.08038 | 330.39187 | NA | NA | NA | C12H10N4O2 | 243.0882 | 241.07260 | Pool_3 | NA | NA | NA |
RPLC_302 | 3-METHOXY-L-TYROSINE | 247.10559 | 322.27223 | NA | NA | NA | C10H17NO6 | 248.1134 | 246.09780 | Pool_3 | NA | NA | NA |
RPLC_303 | PALMITATE | 256.24023 | 761.40000 | NA | NA | NA | C16H32O2 | 257.2480 | 255.23240 | Pool_3 | NA | NA | NA |
RPLC_304 | D-FRUCTOSE 6-PHOSPHATE | 260.02972 | 34.80000 | NA | NA | NA | C6H13O9P | 261.0375 | 259.02190 | Pool_3 | NA | NA | NA |
RPLC_305 | SPHINGANINE | 301.29808 | 529.90315 | NA | NA | NA | C18H39NO2 | 302.3059 | 300.29030 | Pool_3 | NA | NA | NA |
RPLC_306 | ADENOSINE 3',5'-CYCLIC MONOPHOSPHATE | 329.05252 | 143.06006 | NA | NA | NA | C10H12N5O6P | 330.0603 | 328.04470 | Pool_3 | NA | NA | NA |
RPLC_307 | PROPENOATE | 72.02113 | 64.20000 | NA | NA | NA | C3H4O2 | 73.0289 | 71.01330 | Pool_4 | NA | NA | NA |
RPLC_308 | PHENOL | 94.04187 | 202.02118 | NA | NA | NA | C6H6O | 95.0497 | 93.03410 | Pool_4 | NA | NA | NA |
RPLC_309 | 5-OXO-L-PROLINE | 129.04259 | 40.20000 | NA | NA | NA | C5H7NO3 | 130.0504 | 128.03480 | Pool_4 | NA | NA | NA |
RPLC_310 | UROCANATE | 138.04293 | 40.20000 | NA | NA | NA | C6H6N2O2 | 139.0507 | 137.03510 | Pool_4 | NA | NA | NA |
RPLC_311 | 4-ACETAMIDOBUTANOATE | 145.07389 | 45.00000 | NA | NA | NA | C6H11NO3 | 146.0817 | 144.06610 | Pool_4 | NA | NA | NA |
RPLC_312 | PYRIDOXAL | 167.05824 | 36.60000 | NA | NA | NA | C8H9NO3 | 168.0660 | 166.05040 | Pool_4 | NA | NA | NA |
RPLC_313 | THEOBROMINE | 180.06473 | 154.74631 | NA | NA | NA | C7H8N4O2 | 181.0725 | 179.05690 | Pool_4 | NA | NA | NA |
RPLC_314 | FERULATE | 194.05791 | 50.40000 | NA | NA | NA | C10H10O4 | 195.0657 | 193.05010 | Pool_4 | NA | NA | NA |
RPLC_315 | 5-HYDROXY-L-TRYPTOPHAN | 220.08479 | 42.00000 | NA | NA | NA | C11H12N2O3 | 221.0926 | 219.07700 | Pool_4 | NA | NA | NA |
RPLC_316 | THYMIDINE | 242.09027 | 443.94013 | NA | NA | NA | C10H14N2O5 | 243.0981 | 241.08250 | Pool_4 | NA | NA | NA |
RPLC_317 | D-MANNOSE 6-PHOSPHATE | 260.02972 | 34.80000 | NA | NA | NA | C6H13O9P | 261.0375 | 259.02190 | Pool_4 | NA | NA | NA |
RPLC_318 | LINOLEATE | 280.24023 | 729.60000 | NA | NA | NA | C18H32O2 | 281.2480 | 279.23240 | Pool_4 | NA | NA | NA |
RPLC_319 | RETINOATE | 300.20893 | 660.60000 | NA | NA | NA | C20H28O2 | 301.2167 | 299.20110 | Pool_4 | NA | NA | NA |
RPLC_320 | D-RIBULOSE 1,5-BISPHOSPHATE | 309.98548 | 203.18846 | NA | NA | NA | C5H12O11P2 | 310.9933 | 308.97770 | Pool_4 | NA | NA | NA |
RPLC_321 | 3',5'-CYCLIC AMP | 329.05252 | 151.24446 | NA | NA | NA | C10H12N5O6P | 330.0603 | 328.04470 | Pool_4 | NA | NA | NA |
RPLC_322 | LAUROYLCARNITINE | 343.27225 | 534.11257 | NA | NA | NA | C19H37NO4 | 344.2800 | 342.26440 | Pool_4 | NA | NA | NA |
RPLC_323 | 3-ALPHA,11-BETA,17-ALPHA,21-TETRAHYDROXY- 5-ALPHA-PREGNAN-20-ONE | 366.24062 | 643.20000 | NA | NA | NA | C21H34O5 | 367.2484 | 365.23280 | Pool_4 | NA | NA | NA |
RPLC_324 | BIS(2-ETHYLHEXYL)PHTHALATE | 390.27701 | 650.40000 | NA | NA | NA | C24H38O4 | 391.2848 | 389.26920 | Pool_4 | NA | NA | NA |
RPLC_325 | 4-HYDROXY-3-METHOXYPHENYLGLYCOL | 454.23152 | 542.28354 | NA | NA | NA | C22H34N2O8 | 455.2393 | 453.22370 | Pool_4 | NA | NA | NA |
RPLC_326 | PYRUVIC ALDEHYDE | 72.02113 | 66.60000 | NA | NA | NA | C3H4O2 | 73.0289 | 71.01330 | Pool_5 | NA | NA | NA |
RPLC_327 | 2-HYDROXYPYRIDINE | 95.03711 | 66.00000 | NA | NA | NA | C5H5NO | 96.0449 | 94.02930 | Pool_5 | NA | NA | NA |
RPLC_328 | INDOLE | 117.05785 | 239.69439 | NA | NA | NA | C8H7N | 118.0657 | 116.05010 | Pool_5 | NA | NA | NA |
RPLC_329 | BENZOATE | 122.03678 | 157.51453 | NA | NA | NA | C7H5O2 | 123.0446 | 121.02900 | Pool_5 | NA | NA | NA |
RPLC_330 | PICOLINIC ACID | 123.03203 | 45.00000 | NA | NA | NA | C6H5NO2 | 124.0398 | 122.02420 | Pool_5 | NA | NA | NA |
RPLC_331 | GUAIACOL | 124.05243 | 75.33466 | NA | NA | NA | C7H8O2 | 125.0602 | 123.04460 | Pool_5 | NA | NA | NA |
RPLC_332 | SALICYLATE | 138.0317 | 107.03261 | NA | NA | NA | C7H6O3 | 139.0395 | 137.02390 | Pool_5 | NA | NA | NA |
RPLC_333 | MONO-METHYL GLUTARATE | 146.05791 | 84.13965 | NA | NA | NA | C6H10O4 | 147.0657 | 145.05010 | Pool_5 | NA | NA | NA |
RPLC_334 | 3-METHYL-2-OXINDOLE | 147.06841 | 213.27944 | NA | NA | NA | C9H9NO | 148.0762 | 146.06060 | Pool_5 | NA | NA | NA |
RPLC_335 | 3-AMINO-5-HYDROXYBENZOIC ACID | 153.0426 | 48.60000 | NA | NA | NA | C7H7NO3 | 154.0504 | 152.03480 | Pool_5 | NA | NA | NA |
RPLC_336 | PHENYLPYRUVATE | 164.04735 | 67.20000 | NA | NA | NA | C9H8O3 | 165.0552 | 163.03960 | Pool_5 | NA | NA | NA |
RPLC_337 | MYO-INOSITOL | 180.06339 | 155.16653 | NA | NA | NA | C6H12O6 | 181.0712 | 179.05560 | Pool_5 | NA | NA | NA |
RPLC_338 | 3-(4-HYDROXYPHENYL)LACTATE | 182.05791 | 293.11131 | NA | NA | NA | C9H10O4 | 183.0657 | 181.05010 | Pool_5 | NA | NA | NA |
RPLC_339 | 10-HYDROXYDECANOATE | 188.14125 | 378.81317 | NA | NA | NA | C10H20O3 | 189.1491 | 187.13350 | Pool_5 | NA | NA | NA |
RPLC_340 | 5-HYDROXYINDOLEACETATE | 191.05824 | 180.99449 | NA | NA | NA | C10H9NO3 | 192.0660 | 190.05040 | Pool_5 | NA | NA | NA |
RPLC_341 | L-TRYPTOPHAN | 204.08988 | 236.17240 | NA | NA | NA | C11H12N2O2 | 205.0977 | 203.08210 | Pool_5 | NA | NA | NA |
RPLC_342 | URIDINE | 244.06954 | 406.98912 | NA | NA | NA | C9H12N2O6 | 245.0773 | 243.06170 | Pool_5 | NA | NA | NA |
RPLC_343 | BIOTIN | 244.08817 | 329.50525 | NA | NA | NA | C10H16N2O3S | 245.0960 | 243.08040 | Pool_5 | NA | NA | NA |
RPLC_344 | CHOLATE | 408.28758 | 540.23790 | NA | NA | NA | C24H40O5 | 409.2954 | 407.27980 | Pool_5 | NA | NA | NA |
RPLC_345 | 1,2-DIDECANOYL-SN-GLYCERO-3-PHOSPHOCHOLINE | 565.37436 | 719.40000 | NA | NA | NA | C28H56NO8P | 566.3822 | 564.36660 | Pool_5 | NA | NA | NA |
RPLC_346 | URIDINE 5'-DIPHOSPHO-N-ACETYLGALACTOSAMINE | 607.08154 | 76.20000 | NA | NA | NA | C17H27N3O17P2 | 608.0893 | 606.07370 | Pool_5 | NA | NA | NA |
RPLC_347 | SUCCINATE | 118.02661 | 38.40000 | NA | NA | NA | C4H6O4 | 119.0344 | 117.01880 | Pool_6 | NA | NA | NA |
RPLC_348 | INDOXYL SULFATE | 133.05277 | 206.70181 | NA | NA | NA | C8H7NO | 134.0606 | 132.04500 | Pool_6 | NA | NA | NA |
RPLC_349 | TRIGONELLINE | 137.04768 | 166.90316 | NA | NA | NA | C7H7NO2 | 138.0555 | 136.03990 | Pool_6 | NA | NA | NA |
RPLC_350 | TRANS-CINNAMATE | 148.05243 | 320.83028 | NA | NA | NA | C9H8O2 | 149.0602 | 147.04460 | Pool_6 | NA | NA | NA |
RPLC_351 | ARABINOSE | 150.05283 | 178.60865 | NA | NA | NA | C5H10O5 | 151.0606 | 149.04500 | Pool_6 | NA | NA | NA |
RPLC_352 | RESORCINOL MONOACETATE | 152.04735 | 242.40354 | NA | NA | NA | C8H8O3 | 153.0552 | 151.03960 | Pool_6 | NA | NA | NA |
RPLC_353 | XYLITOL | 152.06848 | 200.84907 | NA | NA | NA | C5H12O5 | 153.0763 | 151.06070 | Pool_6 | NA | NA | NA |
RPLC_354 | 3,4-DIHYDROXYPHENYLACETATE | 168.04226 | 93.15861 | NA | NA | NA | C8H8O4 | 169.0501 | 167.03450 | Pool_6 | NA | NA | NA |
RPLC_355 | 3-(4-HYDROXYPHENYL)PYRUVATE | 180.04226 | 539.13756 | NA | NA | NA | C9H8O4 | 181.0501 | 179.03450 | Pool_6 | NA | NA | NA |
RPLC_356 | 3,4-DIHYDROXY-L-PHENYLALANINE | 197.06881 | 220.16312 | NA | NA | NA | C9H11NO4 | 198.0766 | 196.06100 | Pool_6 | NA | NA | NA |
RPLC_357 | N6-(DELTA2-ISOPENTENYL)-ADENINE | 203.1171 | 319.07446 | NA | NA | NA | C10H13N5 | 204.1249 | 202.10930 | Pool_6 | NA | NA | NA |
RPLC_358 | OLEATE | 282.25588 | 792.60000 | NA | NA | NA | C18H34O2 | 283.2637 | 281.24810 | Pool_6 | NA | NA | NA |
RPLC_359 | STEARATE | 284.27153 | 711.60000 | NA | NA | NA | C18H36O2 | 285.2793 | 283.26370 | Pool_6 | NA | NA | NA |
RPLC_360 | RAC-GLYCEROL 1-MYRISTATE | 302.24571 | 657.60000 | NA | NA | NA | C17H34O4 | 303.2535 | 301.23790 | Pool_6 | NA | NA | NA |
RPLC_361 | 1-OLEOYL-RAC-GLYCEROL | 356.29266 | 642.00000 | NA | NA | NA | C21H40O4 | 357.3005 | 355.28490 | Pool_6 | NA | NA | NA |
RPLC_362 | SEROTONIN CREATININE SULFATE COMPLEX | 405.13182 | 245.32991 | NA | NA | NA | C14H23N5O7S | 406.1396 | 404.12400 | Pool_6 | NA | NA | NA |
RPLC_363 | URIDINE 5'-DIPHOSPHO-N-ACETYLGLUCOSAMINE | 607.08158 | 79.80000 | NA | NA | NA | C17H27N3O17P2 | 608.0894 | 606.07380 | Pool_6 | NA | NA | NA |
RPLC_364 | METHYLMALONATE | 118.02661 | 38.40000 | NA | NA | NA | C4H6O4 | 119.0344 | 117.01880 | Pool_7 | NA | NA | NA |
RPLC_365 | 4-HYDROXYBENZALDEHYDE | 122.03678 | 162.22213 | NA | NA | NA | C7H6O2 | 123.0446 | 121.02900 | Pool_7 | NA | NA | NA |
RPLC_366 | N-ACETYL-DL-SERINE | 147.05316 | 34.80000 | NA | NA | NA | C5H9NO4 | 148.0610 | 146.04540 | Pool_7 | NA | NA | NA |
RPLC_367 | D-(-)-ARABINOSE | 150.05282 | 181.44612 | NA | NA | NA | C5H10O5 | 151.0606 | 149.04500 | Pool_7 | NA | NA | NA |
RPLC_368 | GUANINE | 151.04941 | 203.58282 | NA | NA | NA | C5H5N5O | 152.0572 | 150.04160 | Pool_7 | NA | NA | NA |
RPLC_369 | RIBITOL | 152.06848 | 203.58282 | NA | NA | NA | C5H12O5 | 153.0763 | 151.06070 | Pool_7 | NA | NA | NA |
RPLC_370 | 3-(2-HYDROXYPHENYL)PROPANOATE | 166.063 | 462.81532 | NA | NA | NA | C9H10O3 | 167.0708 | 165.05520 | Pool_7 | NA | NA | NA |
RPLC_371 | 3-METHOXYTYRAMINE | 167.09464 | 91.80000 | NA | NA | NA | C9H13NO2 | 168.1024 | 166.08680 | Pool_7 | NA | NA | NA |
RPLC_372 | THIAMINE MONOPHOSPHATE | 344.07081 | 420.87208 | NA | NA | NA | C12H17N4O4PS | 345.0786 | 343.06300 | Pool_7 | NA | NA | NA |
RPLC_373 | CORTICOSTERONE | 346.21441 | 444.46515 | NA | NA | NA | C21H30O4 | 347.2222 | 345.20660 | Pool_7 | NA | NA | NA |
RPLC_374 | CORTISONE | 360.19368 | 391.16229 | NA | NA | NA | C21H28O5 | 361.2015 | 359.18590 | Pool_7 | NA | NA | NA |
RPLC_375 | SN-GLYCEROL 3-PHOSPHATE | 370.22328 | 307.27582 | NA | NA | NA | C15H35N2O6P | 371.2311 | 369.21550 | Pool_7 | NA | NA | NA |
RPLC_376 | 3,5-DIIODO-L-THYRONINE | 524.89341 | 329.41253 | NA | NA | NA | C15H13I2NO4 | 525.9012 | 523.88560 | Pool_7 | NA | NA | NA |
RPLC_377 | Indolepyruvate | 203.057675 | 293.05228 | NA | HMDB60484 | C00331 | NA | 204.0655 | 202.04985 | iPOP | Amino Acid | Tryptophan Metabolism | pRPLC |
RPLC_378 | Phenylalanylleucine | 278.162675 | 190.37233 | NA | NA | NA | NA | 279.1705 | 277.15485 | iPOP | Peptide | Dipeptide | pRPLC |
RPLC_379 | 4-formyl Indole(1) | 145.052175 | 220.62010 | NA | NA | NA | NA | 146.0600 | 144.04435 | iPOP | Amino Acid | Tryptophan Metabolism | pRPLC |
RPLC_380 | 4-formyl Indole(2) | 145.052175 | 184.31799 | NA | NA | NA | NA | 146.0600 | 144.04435 | iPOP | Amino Acid | Tryptophan Metabolism | pRPLC |
RPLC_381 | Thyroxine | 776.686675 | 437.22852 | 51-48-9 | HMDB01918 | C01829 | NA | 777.6945 | 775.67885 | iPOP | Amino Acid | Tyrosine Metabolism | pRPLC |
RPLC_382 | Retinol (Vitamin A) | 268.218575 | 624.00000 | NA | HMDB00305 | C00473 | NA | 269.2264 | 267.21075 | iPOP | Cofactors and Vitamins | Vitamin A Metabolism | pRPLC |
RPLC_383 | C5:1 AC | 243.146575 | 105.46671 | NA | HMDB02366 | NA | NA | 244.1544 | 242.13875 | iPOP | Lipid | Fatty Acid Metabolism(Acyl Carnitine) | pRPLC |
RPLC_384 | C10:0 AC | 315.240575 | 401.27048 | 1492-27-9 | HMDB00651 | NA | NA | 316.2484 | 314.23275 | iPOP | Lipid | Fatty Acid Metabolism(Acyl Carnitine) | pRPLC |
RPLC_385 | C10:1 AC | 313.224975 | 371.26164 | NA | HMDB13205 | NA | NA | 314.2328 | 312.21715 | iPOP | Lipid | Fatty Acid Metabolism(Acyl Carnitine) | pRPLC |
RPLC_386 | C10:2 AC | 311.209275 | 329.18236 | NA | HMDB13325 | NA | NA | 312.2171 | 310.20145 | iPOP | Lipid | Fatty Acid Metabolism(Acyl Carnitine) | pRPLC |
RPLC_387 | C10:3 AC(1) | 309.193575 | 311.12449 | NA | NA | NA | NA | 310.2014 | 308.18575 | iPOP | Lipid | Fatty Acid Metabolism(Acyl Carnitine) | pRPLC |
RPLC_388 | C10:3 AC(2) | 309.193675 | 299.07794 | NA | NA | NA | NA | 310.2015 | 308.18585 | iPOP | Lipid | Fatty Acid Metabolism(Acyl Carnitine) | pRPLC |
RPLC_389 | C11:0 AC | 329.255875 | 431.23950 | NA | NA | NA | NA | 330.2637 | 328.24805 | iPOP | Lipid | Fatty Acid Metabolism(Acyl Carnitine) | pRPLC |
RPLC_390 | C12:0 AC | 343.271775 | 473.12922 | 25518-54-1 | HMDB02250 | NA | NA | 344.2796 | 342.26395 | iPOP | Lipid | Fatty Acid Metabolism(Acyl Carnitine) | pRPLC |
RPLC_391 | C12:1 AC | 341.256075 | 437.22852 | NA | HMDB13326 | NA | NA | 342.2639 | 340.24825 | iPOP | Lipid | Fatty Acid Metabolism(Acyl Carnitine) | pRPLC |
RPLC_392 | C14:1 AC | 369.287375 | 497.03117 | 835598-21-5 | HMDB02014 | NA | NA | 370.2952 | 368.27955 | iPOP | Lipid | Fatty Acid Metabolism(Acyl Carnitine) | pRPLC |
RPLC_393 | C14:2 AC | 367.271675 | 467.14975 | NA | HMDB13331 | NA | NA | 368.2795 | 366.26385 | iPOP | Lipid | Fatty Acid Metabolism(Acyl Carnitine) | pRPLC |
RPLC_394 | C16 Sphingosine 1-phosphate | 351.216975 | 514.94090 | NA | HMDB60061 | NA | NA | 352.2248 | 350.20915 | iPOP | Lipid | Sphingolipid Metabolism | pRPLC |
RPLC_395 | C16:1 AC | 397.318775 | 534.00000 | NA | NA | NA | NA | 398.3266 | 396.31095 | iPOP | Lipid | Fatty Acid Metabolism(Acyl Carnitine) | pRPLC |
RPLC_396 | C18 Sphingosine 1-phosphate | 379.248275 | 564.00000 | 26993-30-6 | HMDB00277 | C06124 | NA | 380.2561 | 378.24045 | iPOP | Lipid | Sphingolipid Metabolism | pRPLC |
RPLC_397 | C18:1 AC | 425.349775 | 570.00000 | 38677-66-6 | HMDB05065 | NA | NA | 426.3576 | 424.34195 | iPOP | Lipid | Fatty Acid Metabolism(Acyl Carnitine) | pRPLC |
RPLC_398 | C18:2 AC | 423.334275 | 552.00000 | NA | HMDB06461 | NA | NA | 424.3421 | 422.32645 | iPOP | Lipid | Fatty Acid Metabolism(Acyl Carnitine) | pRPLC |
RPLC_399 | C4:0 AC | 231.146475 | 56.80904 | 25576-40-3 | HMDB02013 | C02862 | NA | 232.1543 | 230.13865 | iPOP | Lipid | Fatty Acid Metabolism (also BCAA Metabolism) | pRPLC |
RPLC_400 | C5:0 AC | 245.162175 | 117.61520 | NA | NA | NA | NA | 246.1700 | 244.15435 | iPOP | Lipid | Fatty Acid Metabolism(Acyl Carnitine) | pRPLC |
RPLC_401 | C5:0,DC AC | 289.152275 | 36.00000 | NA | NA | NA | NA | 290.1601 | 288.14445 | iPOP | Lipid | Fatty Acid Metabolism(Acyl Carnitine) | pRPLC |
RPLC_402 | C6:0 AC | 259.177975 | 202.47621 | 6418-78-6 | HMDB00705 | NA | NA | 260.1858 | 258.17015 | iPOP | Lipid | Fatty Acid Metabolism(Acyl Carnitine) | pRPLC |
RPLC_403 | C8:0 AC | 287.209375 | 311.12449 | 25243-95-2 | HMDB00791 | C02838 | NA | 288.2172 | 286.20155 | iPOP | Lipid | Fatty Acid Metabolism(Acyl Carnitine) | pRPLC |
RPLC_404 | C8:1 AC | 285.193675 | 262.90008 | NA | HMDB13324 | NA | NA | 286.2015 | 284.18585 | iPOP | Lipid | Fatty Acid Metabolism(Acyl Carnitine) | pRPLC |
RPLC_405 | C9:0 AC | 301.224975 | 341.21297 | NA | NA | NA | NA | 302.2328 | 300.21715 | iPOP | Lipid | Fatty Acid Metabolism(Acyl Carnitine) | pRPLC |
RPLC_406 | L-Carnitine | 161.104475 | 36.00000 | 541-15-1 | HMDB00062 | C00318 | NA | 162.1123 | 160.09665 | iPOP | Lipid | Carnitine Metabolism | pRPLC |
RPLC_407 | LysoPC(14:0) | 467.300675 | 558.00000 | NA | HMDB10379 | C04230 | NA | 468.3085 | 466.29285 | iPOP | Lipid | Phospholipid Metabolism | pRPLC |
RPLC_408 | LysoPC(15:0) | 481.316175 | 582.00000 | NA | HMDB10381 | C04230 | NA | 482.3240 | 480.30835 | iPOP | Lipid | Phospholipid Metabolism | pRPLC |
RPLC_409 | LysoPC(16:0) | 495.331675 | 600.00000 | NA | HMDB10382 | C04230 | NA | 496.3395 | 494.32385 | iPOP | Lipid | Phospholipid Metabolism | pRPLC |
RPLC_410 | LysoPC(16:1) | 493.316175 | 570.00000 | NA | HMDB10383 | C04230 | NA | 494.3240 | 492.30835 | iPOP | Lipid | Phospholipid Metabolism | pRPLC |
RPLC_411 | LysoPC(17:0) | 509.347575 | 618.00000 | NA | HMDB12108 | C04230 | NA | 510.3554 | 508.33975 | iPOP | Lipid | Phospholipid Metabolism | pRPLC |
RPLC_412 | LysoPC(18:0) | 523.362975 | 636.00000 | 5655-17-4 | HMDB10384 | C04230 | NA | 524.3708 | 522.35515 | iPOP | Lipid | Phospholipid Metabolism | pRPLC |
RPLC_413 | LysoPC(18:2) | 519.331775 | 588.00000 | NA | HMDB10386 | C04230 | NA | 520.3396 | 518.32395 | iPOP | Lipid | Phospholipid Metabolism | pRPLC |
RPLC_414 | LysoPC(20:0) | 551.394175 | 666.00000 | NA | HMDB10390 | C04230 | NA | 552.4020 | 550.38635 | iPOP | Lipid | Phospholipid Metabolism | pRPLC |
RPLC_415 | LysoPC(20:1) | 549.378575 | 642.00000 | NA | HMDB10391 | C04230 | NA | 550.3864 | 548.37075 | iPOP | Lipid | Phospholipid Metabolism | pRPLC |
RPLC_416 | LysoPC(20:2) | 547.363075 | 624.00000 | NA | HMDB10392 | C04230 | NA | 548.3709 | 546.35525 | iPOP | Lipid | Phospholipid Metabolism | pRPLC |
RPLC_417 | LysoPC(20:3) | 545.346675 | 606.00000 | NA | HMDB10393 | C04230 | NA | 546.3545 | 544.33885 | iPOP | Lipid | Phospholipid Metabolism | pRPLC |
RPLC_418 | LysoPC(20:4) | 543.331375 | 588.00000 | NA | HMDB10395 | C04230 | NA | 544.3392 | 542.32355 | iPOP | Lipid | Phospholipid Metabolism | pRPLC |
RPLC_419 | LysoPC(22:0) | 579.426875 | 708.00000 | NA | HMDB10398 | C04230 | NA | 580.4347 | 578.41905 | iPOP | Lipid | Phospholipid Metabolism | pRPLC |
RPLC_420 | LysoPC(22:4) | 571.362975 | 618.00000 | NA | HMDB10401 | C04230 | NA | 572.3708 | 570.35515 | iPOP | Lipid | Phospholipid Metabolism | pRPLC |
RPLC_421 | LysoPC(22:6) | 567.331175 | 588.00000 | NA | HMDB10404 | C04230 | NA | 568.3390 | 566.32335 | iPOP | Lipid | Phospholipid Metabolism | pRPLC |
RPLC_422 | LysoPC(O-18:0) | 509.383475 | 654.00000 | NA | HMDB11149 | C04317 | NA | 510.3913 | 508.37565 | iPOP | Lipid | Phospholipid Metabolism | pRPLC |
RPLC_423 | LysoPC(P-16:0) | 479.336775 | 618.00000 | NA | HMDB10407 | C04230 | NA | 480.3446 | 478.32895 | iPOP | Lipid | Phospholipid Metabolism | pRPLC |
RPLC_424 | LysoPC(P-18:0) | 507.368175 | 630.00000 | NA | HMDB13122 | C04230 | NA | 508.3760 | 506.36035 | iPOP | Lipid | Phospholipid Metabolism | pRPLC |
RPLC_425 | LysoPC(P-18:1) | 505.352275 | 624.00000 | NA | HMDB10408 | C04230 | NA | 506.3601 | 504.34445 | iPOP | Lipid | Phospholipid Metabolism | pRPLC |
RPLC_426 | LysoPE(16:0) | 453.284875 | 594.00000 | NA | HMDB11473 | NA | NA | 454.2927 | 452.27705 | iPOP | Lipid | Phospholipid Metabolism | pRPLC |
RPLC_427 | LysoPE(18:0) | 481.315975 | 630.00000 | NA | HMDB11129 | NA | NA | 482.3238 | 480.30815 | iPOP | Lipid | Phospholipid Metabolism | pRPLC |
RPLC_428 | LysoPE(18:2) | 477.284875 | 582.00000 | NA | HMDB11477 | NA | NA | 478.2927 | 476.27705 | iPOP | Lipid | Phospholipid Metabolism | pRPLC |
RPLC_429 | LysoPE(20:1) | 507.331875 | 594.00000 | NA | HMDB11482 | NA | NA | 508.3397 | 506.32405 | iPOP | Lipid | Phospholipid Metabolism | pRPLC |
RPLC_430 | LysoPE(20:3) | 503.300375 | 600.00000 | NA | HMDB11484 | NA | NA | 504.3082 | 502.29255 | iPOP | Lipid | Phospholipid Metabolism | pRPLC |
RPLC_431 | LysoPE(20:4) | 501.284875 | 582.00000 | NA | HMDB11487 | NA | NA | 502.2927 | 500.27705 | iPOP | Lipid | Phospholipid Metabolism | pRPLC |
RPLC_432 | LysoPE(22:0) | 537.378475 | 648.00000 | NA | HMDB11490 | NA | NA | 538.3863 | 536.37065 | iPOP | Lipid | Phospholipid Metabolism | pRPLC |
RPLC_433 | LysoPE(22:6) | 525.284575 | 588.00000 | NA | HMDB11496 | NA | NA | 526.2924 | 524.27675 | iPOP | Lipid | Phospholipid Metabolism | pRPLC |
RPLC_434 | LysoPE(P-16:0) | 437.289775 | 612.00000 | NA | HMDB11152 | NA | NA | 438.2976 | 436.28195 | iPOP | Lipid | Phospholipid Metabolism | pRPLC |
RPLC_435 | 7-Methylguanine | 165.064575 | 75.06761 | 578-76-7 | HMDB00897 | C02242 | NA | 166.0724 | 164.05675 | iPOP | Nucleotide | Purine Metabolism, Guanine containing | pRPLC |
RPLC_436 | gamma-glutamylleucine(1) | 260.136775 | 62.89682 | NA | HMDB11171 | NA | NA | 261.1446 | 259.12895 | iPOP | Peptide | Gamma-glutamyl Amino Acid | pRPLC |
RPLC_437 | gamma-glutamylleucine(2) | 260.136775 | 53.90338 | NA | HMDB11171 | NA | NA | 261.1446 | 259.12895 | iPOP | Peptide | Gamma-glutamyl Amino Acid | pRPLC |
RPLC_438 | Phenylalanyl-Tryptophan | 351.157875 | 226.66488 | NA | HMDB29006 | NA | NA | 352.1657 | 350.15005 | iPOP | Peptide | Dipeptide | pRPLC |
RPLC_439 | Caffeine | 194.079675 | 280.99618 | 58-08-2 | HMDB01847 | C07481 | NA | 195.0875 | 193.07185 | iPOP | Xenobiotics | Xanthine Metabolism | pRPLC |
RPLC_440 | Hippuric acid | 179.057575 | 123.68705 | 495-69-2 | HMDB00714 | C01586 | NA | 180.0654 | 178.04975 | iPOP | Xenobiotics | Benzoate Metabolism | pRPLC |
RPLC_441 | Piperine(1) | 285.136075 | 514.94090 | 30511-76-3 | HMDB29377 | C03882 | NA | 286.1439 | 284.12825 | iPOP | Xenobiotics | Food Component/Plant | pRPLC |
RPLC_442 | Piperine(2) | 285.136075 | 508.97258 | 30511-76-3 | HMDB29377 | C03882 | NA | 286.1439 | 284.12825 | iPOP | Xenobiotics | Food Component/Plant | pRPLC |
RPLC_443 | Theophylline | 180.064075 | 208.52577 | NA | HMDB0001889 | NA | NA | 181.0719 | 179.05625 | iPOP | Xenobiotics | Xanthine Metabolism | pRPLC |
RPLC_444 | N1-Methyl-2-pyridone-5-carboxamide(1) | 152.057975 | 75.06761 | NA | HMDB04193 | C05842 | NA | 153.0658 | 151.05015 | iPOP | Cofactors and Vitamins | Nicotinate and Nicotinamide Metabolism | pRPLC |
RPLC_445 | N1-Methyl-2-pyridone-5-carboxamide(2) | 152.057975 | 105.46671 | NA | HMDB04193 | C05842 | NA | 153.0658 | 151.05015 | iPOP | Cofactors and Vitamins | Nicotinate and Nicotinamide Metabolism | pRPLC |
RPLC_446 | MG(18:0) | 358.307575 | 660.00000 | NA | HMDB11131 | NA | NA | 359.3154 | 357.29975 | iPOP | Lipid | Monoacylglycerol | pRPLC |
RPLC_447 | Oleoyl Ethyl Amide | 309.302575 | 666.00000 | NA | NA | NA | NA | 310.3104 | 308.29475 | iPOP | Lipid | Long Chain Fatty Acid | pRPLC |
RPLC_448 | Sphinganine 1-phosphate | 381.264075 | 576.00000 | 19794-97-9 | HMDB01383 | C01120 | NA | 382.2719 | 380.25625 | iPOP | Lipid | Sphingolipid Metabolism | pRPLC |
RPLC_449 | N2,N2-Dimethylguanosine | 311.122675 | 172.20455 | 2140-67-2 | HMDB04824 | NA | NA | 312.1305 | 310.11485 | iPOP | Nucleotide | Purine Metabolism, Guanine containing | pRPLC |
RPLC_450 | Alpha-N-Phenylacetyl-L-glutamine | 264.110575 | 160.08473 | NA | HMDB06344 | C04148 | NA | 265.1184 | 263.10275 | iPOP | Peptide | Acetylated Peptides | pRPLC |
RPLC_451 | Cyclo(ala-pro) | 168.089275 | 99.39007 | NA | NA | NA | NA | 169.0971 | 167.08145 | iPOP | Peptide | Dipeptide | pRPLC |
RPLC_452 | gamma-glutamylphenylalanine | 294.121375 | 81.15062 | NA | HMDB00594 | NA | NA | 295.1292 | 293.11355 | iPOP | Peptide | Gamma-glutamyl Amino Acid | pRPLC |
RPLC_453 | Phenylalanylphenylalanine | 312.146975 | 214.57373 | 2577-40-4 | HMDB13302 | NA | NA | 313.1548 | 311.13915 | iPOP | Peptide | Dipeptide | pRPLC |
RPLC_454 | 2-Piperidinone | 99.067775 | 75.06761 | NA | HMDB11749 | NA | NA | 100.0756 | 98.05995 | iPOP | Xenobiotics | Food Component/Plant | pRPLC |
RPLC_455 | Dihydroferulic acid | 276.030575 | 311.12449 | NA | NA | NA | NA | 277.0384 | 275.02275 | iPOP | Xenobiotics | Food Component/Plant | pRPLC |
RPLC_456 | Paraxanthine | 180.063975 | 190.37233 | 611-59-6 | HMDB01860 | C13747 | NA | 181.0718 | 179.05615 | iPOP | Xenobiotics | Xanthine Metabolism | pRPLC |
RPLC_457 | PS(28:2) | 675.409175 | 642.00000 | NA | HMDB12342 | NA | NA | 676.4170 | 674.40135 | iPOP | Lipid | NA | pRPLC |
RPLC_458 | PS(30:1) | 705.456975 | 672.00000 | NA | NA | NA | NA | 706.4648 | 704.44915 | iPOP | Lipid | NA | pRPLC |
RPLC_459 | PS(30:2) | 703.439375 | 654.00000 | NA | NA | NA | NA | 704.4472 | 702.43155 | iPOP | Lipid | NA | pRPLC |
RPLC_460 | PS(32:3) | 729.458475 | 678.00000 | NA | NA | NA | NA | 730.4663 | 728.45065 | iPOP | Lipid | NA | pRPLC |
RPLC_461 | SM(d18:1/12:0) | 646.503775 | 702.00000 | NA | HMDB12096 | C00550 | NA | 647.5116 | 645.49595 | iPOP | Lipid | NA | pRPLC |
RPLC_462 | SM(d18:1/14:0) | 674.535075 | 756.00000 | NA | HMDB12097 | NA | NA | 675.5429 | 673.52725 | iPOP | Lipid | NA | pRPLC |
RPLC_463 | Kynurenic acid | 189.043025 | 190.37233 | 492-27-3 | HMDB00715 | C01717 | NA | 190.0508 | 188.03520 | iPOP | Amino Acid | Tryptophan Metabolism | nRPLC |
RPLC_464 | 25-hydroxyvitamin D3 | 400.334625 | 666.00000 | NA | NA | NA | NA | 401.3424 | 399.32680 | iPOP | Cofactors and Vitamins | Vitamin D Metabolism | nRPLC |
RPLC_465 | (S)-(-)-2-Hydroxyisocaproic acid | 132.079225 | 99.39007 | NA | HMDB0000746 | NA | NA | 133.0871 | 131.07140 | iPOP | Amino Acid | Leucine, Isoleucine and Valine Metabolism | nRPLC |
RPLC_466 | 3-Methyl-2-oxovaleric acid | 130.063625 | 62.89682 | NA | HMDB03736 | C00671 | NA | 131.0714 | 129.05580 | iPOP | Amino Acid | Leucine, Isoleucine and Valine Metabolism | nRPLC |
RPLC_467 | N-Acetylleucine|N-Acetylisoleucine | 173.105825 | 172.20455 | NA | HMDB11756|HMDB61684 | |C02710 | NA | 174.1137 | 172.09800 | iPOP | Amino Acid | Leucine, Isoleucine and Valine Metabolism | nRPLC |
RPLC_468 | N-Acetyl-L-phenylalanine | 207.089925 | 208.52577 | 2018-61-3 | HMDB00512 | C03519 | NA | 208.0977 | 206.08210 | iPOP | Amino Acid | Phenylalanine Metabolism | nRPLC |
RPLC_469 | Pyridoxic acid | 183.053625 | 62.89682 | 82-82-6 | HMDB00017 | C00847 | NA | 184.0615 | 182.04580 | iPOP | Cofactors and Vitamins | Vitamin B6 Metabolism | nRPLC |
RPLC_470 | 3-carboxy-4-methyl-5-propyl-2-furanpropanoate (CMPF) | 240.100225 | 431.23950 | NA | HMDB61112 | NA | NA | 241.1080 | 239.09240 | iPOP | Lipid | Fatty Acid, Dicarboxylate | nRPLC |
RPLC_471 | 9-HODE | 296.235725 | 576.00000 | NA | HMDB04702 | C14826 | NA | 297.2436 | 295.22790 | iPOP | Lipid | Long Chain Fatty Acid | nRPLC |
RPLC_472 | C10:0,DC FA (Sebacic acid)(1) | 202.121125 | 383.26995 | 111-20-6 | HMDB00792 | C08277 | NA | 203.1290 | 201.11330 | iPOP | Lipid | Fatty Acid, Dicarboxylate | nRPLC |
RPLC_473 | C10:0,DC FA (Sebacic acid)(2) | 202.121125 | 359.24695 | 111-20-6 | HMDB00792 | C08277 | NA | 203.1290 | 201.11330 | iPOP | Lipid | Fatty Acid, Dicarboxylate | nRPLC |
RPLC_474 | C10:0,OH FA(1) | 188.141725 | 431.23950 | NA | HMDB02203 | NA | NA | 189.1496 | 187.13390 | iPOP | Lipid | Fatty Acid, Monohydroxy | nRPLC |
RPLC_475 | C10:0,OH FA(2) | 188.141825 | 455.18604 | NA | HMDB02203 | NA | NA | 189.1497 | 187.13400 | iPOP | Lipid | Fatty Acid, Monohydroxy | nRPLC |
RPLC_476 | C10:1 FA(1) | 170.131225 | 485.08338 | NA | NA | NA | NA | 171.1390 | 169.12340 | iPOP | Lipid | Medium Chain Fatty Acid | nRPLC |
RPLC_477 | C10:1 FA(2) | 170.131125 | 497.03117 | NA | NA | NA | NA | 171.1389 | 169.12330 | iPOP | Lipid | Medium Chain Fatty Acid | nRPLC |
RPLC_478 | C10:1,DC FA | 200.105425 | 341.21297 | 72879-22-2 | HMDB00603 | NA | NA | 201.1132 | 199.09760 | iPOP | Lipid | Fatty Acid, Dicarboxylate | nRPLC |
RPLC_479 | C10:1,OH FA | 186.126125 | 413.26286 | NA | NA | NA | NA | 187.1339 | 185.11830 | iPOP | Lipid | Fatty Acid, Monohydroxy | nRPLC |
RPLC_480 | C10:2 FA | 168.115525 | 437.22852 | NA | NA | NA | NA | 169.1233 | 167.10770 | iPOP | Lipid | Medium Chain Fatty Acid | nRPLC |
RPLC_481 | C10:3 FA(1) | 166.099825 | 425.24888 | NA | NA | NA | NA | 167.1077 | 165.09200 | iPOP | Lipid | Medium Chain Fatty Acid | nRPLC |
RPLC_482 | C10:3 FA(2) | 166.099825 | 437.22852 | NA | NA | NA | NA | 167.1077 | 165.09200 | iPOP | Lipid | Medium Chain Fatty Acid | nRPLC |
RPLC_483 | C11:0,DC FA | 216.136625 | 413.26286 | 1852-04-6 | HMDB00888 | NA | NA | 217.1445 | 215.12880 | iPOP | Lipid | Fatty Acid, Dicarboxylate | nRPLC |
RPLC_484 | C13:0,DC FA(1) | 244.167925 | 503.00267 | NA | NA | NA | NA | 245.1757 | 243.16010 | iPOP | Lipid | Fatty Acid, Dicarboxylate | nRPLC |
RPLC_485 | C13:0,DC FA(2) | 244.167925 | 479.10710 | NA | NA | NA | NA | 245.1757 | 243.16010 | iPOP | Lipid | Fatty Acid, Dicarboxylate | nRPLC |
RPLC_486 | C13:0,DC FA(3) | 244.167925 | 497.03117 | NA | NA | NA | NA | 245.1757 | 243.16010 | iPOP | Lipid | Fatty Acid, Dicarboxylate | nRPLC |
RPLC_487 | C13:0,DC FA(4) | 244.167925 | 485.08338 | NA | NA | NA | NA | 245.1757 | 243.16010 | iPOP | Lipid | Fatty Acid, Dicarboxylate | nRPLC |
RPLC_488 | C11:1 FA | 184.146825 | 514.94090 | NA | HMDB33724 | C13910 | NA | 185.1547 | 183.13900 | iPOP | Lipid | Medium Chain Fatty Acid | nRPLC |
RPLC_489 | C12:0 FA(1) | 200.178225 | 570.00000 | NA | NA | NA | NA | 201.1860 | 199.17040 | iPOP | Lipid | Medium Chain Fatty Acid | nRPLC |
RPLC_490 | C12:0 FA(2) | 200.178125 | 467.14975 | NA | NA | NA | NA | 201.1859 | 199.17030 | iPOP | Lipid | Medium Chain Fatty Acid | nRPLC |
RPLC_491 | C12:0,DC FA | 230.152325 | 449.20179 | NA | HMDB00623 | C02678 | NA | 231.1601 | 229.14450 | iPOP | Lipid | Fatty Acid, Dicarboxylate | nRPLC |
RPLC_492 | C12:0,OH FA(1) | 216.173125 | 508.97258 | NA | HMDB00387 | NA | NA | 217.1809 | 215.16530 | iPOP | Lipid | Fatty Acid, Monohydroxy | nRPLC |
RPLC_493 | C12:0,OH FA(2) | 216.173025 | 491.05807 | NA | HMDB00387 | NA | NA | 217.1808 | 215.16520 | iPOP | Lipid | Fatty Acid, Monohydroxy | nRPLC |
RPLC_494 | C12:1 FA(1) | 198.162525 | 546.00000 | NA | HMDB00529 | NA | NA | 199.1704 | 197.15470 | iPOP | Lipid | Medium Chain Fatty Acid | nRPLC |
RPLC_495 | C12:1 FA(2) | 198.162525 | 540.00000 | NA | HMDB00529 | NA | NA | 199.1704 | 197.15470 | iPOP | Lipid | Medium Chain Fatty Acid | nRPLC |
RPLC_496 | C12:1, OH FA | 214.157625 | 473.12922 | NA | NA | NA | NA | 215.1654 | 213.14980 | iPOP | Lipid | Fatty Acid, Monohydroxy | nRPLC |
RPLC_497 | C12:1,DC FA(1) | 228.136725 | 443.21595 | NA | NA | NA | NA | 229.1446 | 227.12890 | iPOP | Lipid | Fatty Acid, Dicarboxylate | nRPLC |
RPLC_498 | C12:1,DC FA(2) | 228.136725 | 419.25667 | NA | NA | NA | NA | 229.1446 | 227.12890 | iPOP | Lipid | Fatty Acid, Dicarboxylate | nRPLC |
RPLC_499 | C12:1,DC FA(3) | 228.136625 | 431.23950 | NA | NA | NA | NA | 229.1445 | 227.12880 | iPOP | Lipid | Fatty Acid, Dicarboxylate | nRPLC |
RPLC_500 | C12:1,DC FA(4) | 228.136725 | 467.14975 | NA | NA | NA | NA | 229.1446 | 227.12890 | iPOP | Lipid | Fatty Acid, Dicarboxylate | nRPLC |
RPLC_501 | C12:1,OH FA | 214.157525 | 491.05807 | NA | NA | NA | NA | 215.1653 | 213.14970 | iPOP | Lipid | Fatty Acid, Monohydroxy | nRPLC |
RPLC_502 | C12:2,OH FA | 196.146825 | 520.90762 | NA | NA | NA | NA | 197.1547 | 195.13900 | iPOP | Lipid | Fatty Acid, Monohydroxy | nRPLC |
RPLC_503 | C13:1,OH FA | 212.178225 | 564.00000 | NA | NA | NA | NA | 213.1860 | 211.17040 | iPOP | Lipid | Fatty Acid, Monohydroxy | nRPLC |
RPLC_504 | C14:0 FA | 228.209525 | 612.00000 | 544-63-8 | HMDB00806 | C06424 | NA | 229.2174 | 227.20170 | iPOP | Lipid | Long Chain Fatty Acid | nRPLC |
RPLC_505 | C14:0,DC FA(1) | 258.183825 | 514.94090 | NA | HMDB00872 | NA | NA | 259.1916 | 257.17600 | iPOP | Lipid | Fatty Acid, Dicarboxylate | nRPLC |
RPLC_506 | C14:0,DC FA(2) | 258.183725 | 529.35833 | NA | HMDB00872 | NA | NA | 259.1916 | 257.17590 | iPOP | Lipid | Fatty Acid, Dicarboxylate | nRPLC |
RPLC_507 | C14:0,OH FA(1) | 244.204325 | 558.00000 | NA | NA | NA | NA | 245.2122 | 243.19650 | iPOP | Lipid | Fatty Acid, Monohydroxy | nRPLC |
RPLC_508 | C14:0,OH FA(2) | 244.204225 | 576.00000 | NA | NA | NA | NA | 245.2121 | 243.19640 | iPOP | Lipid | Fatty Acid, Monohydroxy | nRPLC |
RPLC_509 | C14:1 FA(1) | 226.193825 | 588.00000 | NA | HMDB02000 | C08322 | NA | 227.2017 | 225.18600 | iPOP | Lipid | Long Chain Fatty Acid | nRPLC |
RPLC_510 | C14:1 FA(2) | 226.193825 | 600.00000 | NA | HMDB02000 | C08322 | NA | 227.2017 | 225.18600 | iPOP | Lipid | Long Chain Fatty Acid | nRPLC |
RPLC_511 | C14:1,OH FA(1) | 242.188825 | 540.00000 | NA | NA | NA | NA | 243.1967 | 241.18100 | iPOP | Lipid | Fatty Acid, Monohydroxy | nRPLC |
RPLC_512 | C14:1,OH FA(2) | 242.188725 | 529.35833 | NA | NA | NA | NA | 243.1966 | 241.18090 | iPOP | Lipid | Fatty Acid, Monohydroxy | nRPLC |
RPLC_513 | C14:2 FA | 224.178225 | 564.00000 | NA | NA | NA | NA | 225.1860 | 223.17040 | iPOP | Lipid | Long Chain Fatty Acid | nRPLC |
RPLC_514 | C14:2,OH FA | 240.173125 | 514.94090 | NA | NA | NA | NA | 241.1809 | 239.16530 | iPOP | Lipid | Fatty Acid, Monohydroxy | nRPLC |
RPLC_515 | C15:0 FA | 242.225225 | 630.00000 | NA | NA | NA | NA | 243.2330 | 241.21740 | iPOP | Lipid | Long Chain Fatty Acid | nRPLC |
RPLC_516 | C15:0,OH FA | 258.220025 | 594.00000 | NA | NA | NA | NA | 259.2278 | 257.21220 | iPOP | Lipid | Fatty Acid, Monohydroxy | nRPLC |
RPLC_517 | C15:1 FA | 240.209425 | 606.00000 | NA | NA | NA | NA | 241.2173 | 239.20160 | iPOP | Lipid | Long Chain Fatty Acid | nRPLC |
RPLC_518 | C16:0,2OH FA | 288.230525 | 612.00000 | NA | NA | NA | NA | 289.2384 | 287.22270 | iPOP | Lipid | Fatty Acid, Dihydroxy | nRPLC |
RPLC_519 | C16:0,DC FA(1) | 286.215025 | 576.00000 | NA | HMDB00672 | C19615 | NA | 287.2228 | 285.20720 | iPOP | Lipid | Fatty Acid, Dicarboxylate | nRPLC |
RPLC_520 | C16:0,DC FA(2) | 286.214925 | 552.00000 | NA | HMDB00672 | C19615 | NA | 287.2228 | 285.20710 | iPOP | Lipid | Fatty Acid, Dicarboxylate | nRPLC |
RPLC_521 | C16:0,OH FA(1) | 272.235825 | 618.00000 | NA | HMDB31057 | NA | NA | 273.2437 | 271.22800 | iPOP | Lipid | Fatty Acid, Monohydroxy | nRPLC |
RPLC_522 | C16:0,OH FA(2) | 272.235725 | 576.00000 | NA | HMDB31057 | NA | NA | 273.2436 | 271.22790 | iPOP | Lipid | Fatty Acid, Monohydroxy | nRPLC |
RPLC_523 | C16:1 FA | 254.225025 | 618.00000 | 373-49-9 | HMDB03229 | C08362 | NA | 255.2329 | 253.21720 | iPOP | Lipid | Long Chain Fatty Acid | nRPLC |
RPLC_524 | C16:1,OH FA(1) | 270.220025 | 576.00000 | NA | NA | NA | NA | 271.2278 | 269.21220 | iPOP | Lipid | Fatty Acid, Monohydroxy | nRPLC |
RPLC_525 | C16:1,OH FA(2) | 270.220025 | 558.00000 | NA | NA | NA | NA | 271.2278 | 269.21220 | iPOP | Lipid | Fatty Acid, Monohydroxy | nRPLC |
RPLC_526 | C16:2 FA | 252.209425 | 600.00000 | NA | NA | NA | NA | 253.2173 | 251.20160 | iPOP | Lipid | Long Chain Fatty Acid | nRPLC |
RPLC_527 | C16:2,OH FA | 268.204425 | 552.00000 | NA | NA | NA | NA | 269.2122 | 267.19660 | iPOP | Lipid | Fatty Acid, Monohydroxy | nRPLC |
RPLC_528 | C16:3 FA | 250.193725 | 588.00000 | NA | NA | NA | NA | 251.2015 | 249.18590 | iPOP | Lipid | Long Chain Fatty Acid | nRPLC |
RPLC_529 | C16:4 FA | 248.178125 | 564.00000 | NA | NA | NA | NA | 249.1859 | 247.17030 | iPOP | Lipid | Long Chain Fatty Acid | nRPLC |
RPLC_530 | C17:0 FA(1) | 270.256525 | 660.00000 | NA | NA | NA | NA | 271.2643 | 269.24870 | iPOP | Lipid | Long Chain Fatty Acid | nRPLC |
RPLC_531 | C17:0 FA(2) | 266.224925 | 618.00000 | NA | NA | NA | NA | 267.2328 | 265.21710 | iPOP | Lipid | Long Chain Fatty Acid | nRPLC |
RPLC_532 | C17:1 FA | 268.240825 | 636.00000 | NA | HMDB60038 | NA | NA | 269.2486 | 267.23300 | iPOP | Lipid | Long Chain Fatty Acid | nRPLC |
RPLC_533 | C18:0,DC FA(1) | 314.246325 | 618.00000 | NA | HMDB00782 | NA | NA | 315.2541 | 313.23850 | iPOP | Lipid | Fatty Acid, Dicarboxylate | nRPLC |
RPLC_534 | C18:0,DC FA(2) | 314.246425 | 546.00000 | NA | HMDB00782 | NA | NA | 315.2543 | 313.23860 | iPOP | Lipid | Fatty Acid, Dicarboxylate | nRPLC |
RPLC_535 | C18:0,DC FA(3) | 314.246325 | 594.00000 | NA | HMDB00782 | NA | NA | 315.2541 | 313.23850 | iPOP | Lipid | Fatty Acid, Dicarboxylate | nRPLC |
RPLC_536 | C18:0,OH FA(1) | 300.266925 | 612.00000 | NA | NA | C03045 | NA | 301.2747 | 299.25910 | iPOP | Lipid | Fatty Acid, Monohydroxy | nRPLC |
RPLC_537 | C18:0,OH FA(2) | 300.266925 | 636.00000 | NA | NA | C03045 | NA | 301.2747 | 299.25910 | iPOP | Lipid | Fatty Acid, Monohydroxy | nRPLC |
RPLC_538 | C18:1,3OH FA | 330.241425 | 479.10710 | NA | NA | NA | NA | 331.2493 | 329.23360 | iPOP | Lipid | Fatty Acid, Trihydroxy | nRPLC |
RPLC_539 | C18:1,DC FA | 312.230825 | 588.00000 | NA | NA | NA | NA | 313.2387 | 311.22300 | iPOP | Lipid | Fatty Acid, Dicarboxylate | nRPLC |
RPLC_540 | C18:1,OH FA(1) | 298.251325 | 612.00000 | NA | NA | NA | NA | 299.2591 | 297.24350 | iPOP | Lipid | Fatty Acid, Monohydroxy | nRPLC |
RPLC_541 | C18:1,OH FA(2) | 298.251425 | 600.00000 | NA | NA | NA | NA | 299.2593 | 297.24360 | iPOP | Lipid | Fatty Acid, Monohydroxy | nRPLC |
RPLC_542 | C18:2,DC FA | 310.215125 | 564.00000 | NA | NA | NA | NA | 311.2230 | 309.20730 | iPOP | Lipid | Fatty Acid, Dicarboxylate | nRPLC |
RPLC_543 | C18:2,OH FA | 296.235625 | 594.00000 | NA | NA | NA | NA | 297.2434 | 295.22780 | iPOP | Lipid | Fatty Acid, Monohydroxy | nRPLC |
RPLC_544 | C18:3,OH FA(1) | 294.220025 | 594.00000 | NA | NA | NA | NA | 295.2278 | 293.21220 | iPOP | Lipid | Fatty Acid, Monohydroxy | nRPLC |
RPLC_545 | C18:3,OH FA(2) | 294.220125 | 576.00000 | NA | NA | NA | NA | 295.2280 | 293.21230 | iPOP | Lipid | Fatty Acid, Monohydroxy | nRPLC |
RPLC_546 | C18:3,OH FA(3) | 294.220025 | 564.00000 | NA | NA | NA | NA | 295.2278 | 293.21220 | iPOP | Lipid | Fatty Acid, Monohydroxy | nRPLC |
RPLC_547 | C18:4 FA | 276.209525 | 600.00000 | NA | HMDB06547 | C16300 | NA | 277.2174 | 275.20170 | iPOP | Lipid | Long Chain Fatty Acid | nRPLC |
RPLC_548 | C19:0 FA(1) | 298.287725 | 702.00000 | NA | HMDB00772 | C16535 | NA | 299.2955 | 297.27990 | iPOP | Lipid | Long Chain Fatty Acid | nRPLC |
RPLC_549 | C19:0 FA(2) | 298.287525 | 672.00000 | NA | HMDB00772 | C16535 | NA | 299.2953 | 297.27970 | iPOP | Lipid | Long Chain Fatty Acid | nRPLC |
RPLC_550 | C19:1 FA | 296.272025 | 666.00000 | NA | HMDB13622 | NA | NA | 297.2799 | 295.26420 | iPOP | Lipid | Long Chain Fatty Acid | nRPLC |
RPLC_551 | C20:0 FA | 312.303525 | 684.00000 | NA | HMDB02212 | C06425 | NA | 313.3114 | 311.29570 | iPOP | Lipid | Long Chain Fatty Acid | nRPLC |
RPLC_552 | C20:0,2OH FA | 344.293125 | 588.00000 | 120727-26-6 | HMDB31923 | NA | NA | 345.3010 | 343.28530 | iPOP | Lipid | Fatty Acid, Dihydroxy | nRPLC |
RPLC_553 | C20:1 FA | 310.287925 | 684.00000 | 5561-99-9 | HMDB02231 | C16526 | NA | 311.2957 | 309.28010 | iPOP | Lipid | Long Chain Fatty Acid | nRPLC |
RPLC_554 | C20:2 FA | 308.272225 | 660.00000 | 5598-38-9 | HMDB05060 | C16525 | NA | 309.2801 | 307.26440 | iPOP | Lipid | Polyunsaturated Fatty Acid (n3 and n6) | nRPLC |
RPLC_555 | C20:2,OH FA | 324.267025 | 624.00000 | NA | NA | NA | NA | 325.2749 | 323.25920 | iPOP | Lipid | Fatty Acid, Monohydroxy | nRPLC |
RPLC_556 | C20:3 FA | 306.256425 | 642.00000 | 1783-84-2 | HMDB02925 | C03242 | NA | 307.2643 | 305.24860 | iPOP | Lipid | Polyunsaturated Fatty Acid (n3 and n6) | nRPLC |
RPLC_557 | C20:3,OH FA(1) | 322.251325 | 606.00000 | NA | NA | NA | NA | 323.2591 | 321.24350 | iPOP | Lipid | Fatty Acid, Monohydroxy | nRPLC |
RPLC_558 | C20:3,OH FA(2) | 322.251325 | 594.00000 | NA | NA | NA | NA | 323.2591 | 321.24350 | iPOP | Lipid | Fatty Acid, Monohydroxy | nRPLC |
RPLC_559 | C20:4,DC FA | 334.215125 | 461.16869 | NA | NA | NA | NA | 335.2230 | 333.20730 | iPOP | Lipid | Fatty Acid, Dicarboxylate | nRPLC |
RPLC_560 | C20:4,OH FA(1) | 320.235625 | 600.00000 | NA | NA | NA | NA | 321.2434 | 319.22780 | iPOP | Lipid | Fatty Acid, Monohydroxy | nRPLC |
RPLC_561 | C20:4,OH FA(2) | 320.235625 | 588.00000 | NA | NA | NA | NA | 321.2434 | 319.22780 | iPOP | Lipid | Fatty Acid, Monohydroxy | nRPLC |
RPLC_562 | C20:5 FA | 302.225125 | 618.00000 | 10417-94-4 | HMDB01999 | C06428 | NA | 303.2330 | 301.21730 | iPOP | Lipid | Polyunsaturated Fatty Acid (n3 and n6) | nRPLC |
RPLC_563 | C22:2 FA | 336.303525 | 702.00000 | NA | HMDB61714 | NA | NA | 337.3114 | 335.29570 | iPOP | Lipid | Polyunsaturated Fatty Acid (n3 and n6) | nRPLC |
RPLC_564 | C22:3 FA | 334.287725 | 672.00000 | 28845-86-5 | HMDB02823 | NA | NA | 335.2955 | 333.27990 | iPOP | Lipid | Polyunsaturated Fatty Acid (n3 and n6) | nRPLC |
RPLC_565 | C22:4 FA | 332.272225 | 654.00000 | NA | HMDB02226 | C16527 | NA | 333.2801 | 331.26440 | iPOP | Lipid | Polyunsaturated Fatty Acid (n3 and n6) | nRPLC |
RPLC_566 | C22:5 FA | 330.256525 | 642.00000 | 24880-45-3 | HMDB06528 | C16513 | NA | 331.2643 | 329.24870 | iPOP | Lipid | Polyunsaturated Fatty Acid (n3 and n6) | nRPLC |
RPLC_567 | C24:4 FA | 360.303525 | 690.00000 | NA | HMDB06246 | NA | NA | 361.3114 | 359.29570 | iPOP | Lipid | Polyunsaturated Fatty Acid (n3 and n6) | nRPLC |
RPLC_568 | C24:5 FA | 358.287925 | 672.00000 | NA | HMDB06322 | NA | NA | 359.2957 | 357.28010 | iPOP | Lipid | Polyunsaturated Fatty Acid (n3 and n6) | nRPLC |
RPLC_569 | C24:6 FA | 356.272125 | 654.00000 | 81247-23-6 | HMDB02007 | NA | NA | 357.2799 | 355.26430 | iPOP | Lipid | Polyunsaturated Fatty Acid (n3 and n6) | nRPLC |
RPLC_570 | C25:0,OH FA | 398.376425 | 690.00000 | NA | NA | NA | NA | 399.3843 | 397.36860 | iPOP | Lipid | Fatty Acid, Monohydroxy | nRPLC |
RPLC_571 | C8:0,OH FA(1) | 160.110425 | 311.12449 | NA | NA | NA | NA | 161.1182 | 159.10260 | iPOP | Lipid | Fatty Acid, Monohydroxy | nRPLC |
RPLC_572 | C8:0,OH FA(2) | 160.110525 | 335.19846 | NA | NA | NA | NA | 161.1183 | 159.10270 | iPOP | Lipid | Fatty Acid, Monohydroxy | nRPLC |
RPLC_573 | C8:0,OH FA(3) | 160.110425 | 232.70806 | NA | NA | NA | NA | 161.1182 | 159.10260 | iPOP | Lipid | Fatty Acid, Monohydroxy | nRPLC |
RPLC_574 | C8:2,OH FA(1) | 156.079125 | 220.62010 | NA | NA | NA | NA | 157.0870 | 155.07130 | iPOP | Lipid | Fatty Acid, Monohydroxy | nRPLC |
RPLC_575 | C8:2,OH FA(2) | 156.079125 | 299.07794 | NA | NA | NA | NA | 157.0870 | 155.07130 | iPOP | Lipid | Fatty Acid, Monohydroxy | nRPLC |
RPLC_576 | C9:0,DC FA (Azelaic acid) | 188.105425 | 329.18236 | NA | HMDB00784 | C08261 | NA | 189.1132 | 187.09760 | iPOP | Lipid | Fatty Acid, Dicarboxylate | nRPLC |
RPLC_577 | C9:1,OH FA | 172.110525 | 341.21297 | NA | NA | NA | NA | 173.1183 | 171.10270 | iPOP | Lipid | Fatty Acid, Monohydroxy | nRPLC |
RPLC_578 | LysoPE(16:1) | 451.270225 | 570.00000 | NA | HMDB11474 | NA | NA | 452.2781 | 450.26240 | iPOP | Lipid | Phospholipid Metabolism | nRPLC |
RPLC_579 | LysoPE(18:1) | 479.301725 | 606.00000 | NA | HMDB11475 | NA | NA | 480.3096 | 478.29390 | iPOP | Lipid | Phospholipid Metabolism | nRPLC |
RPLC_580 | LysoPE(20:0) | 509.348225 | 636.00000 | NA | HMDB11481 | NA | NA | 510.3560 | 508.34040 | iPOP | Lipid | Phospholipid Metabolism | nRPLC |
RPLC_581 | LysoPE(22:4) | 529.316825 | 612.00000 | NA | HMDB11493 | NA | NA | 530.3247 | 528.30900 | iPOP | Lipid | Phospholipid Metabolism | nRPLC |
RPLC_582 | LysoPE(22:5) | 527.301725 | 594.00000 | NA | HMDB11494 | NA | NA | 528.3095 | 526.29390 | iPOP | Lipid | Phospholipid Metabolism | nRPLC |
RPLC_583 | LysoPI(18:1) | 598.312625 | 714.00000 | NA | HMDB61693 | NA | NA | 599.3205 | 597.30480 | iPOP | Lipid | Phospholipid Metabolism | nRPLC |
RPLC_584 | LysoPI(20:4) | 620.296625 | 678.00000 | NA | HMDB61690 | NA | NA | 621.3044 | 619.28880 | iPOP | Lipid | Phospholipid Metabolism | nRPLC |
RPLC_585 | 1-Methylxanthine | 166.049625 | 117.61520 | NA | HMDB10738 | C16358 | NA | 167.0574 | 165.04180 | iPOP | Xenobiotics | Xanthine Metabolism | nRPLC |
RPLC_586 | Dihydro-3-coumaric acid | 166.063525 | 196.42507 | NA | NA | C11457 | NA | 167.0713 | 165.05570 | iPOP | Xenobiotics | Benzoate Metabolism | nRPLC |
RPLC_587 | 2-Hydroxyphenylacetate | 152.047825 | 141.89306 | NA | HMDB00669 | C05852 | NA | 153.0557 | 151.04000 | iPOP | Amino Acid | Tyrosine Metabolism | nRPLC |
RPLC_588 | Gentisic acid | 154.027125 | 129.75731 | 490-79-9 | HMDB00152 | C00628 | NA | 155.0350 | 153.01930 | iPOP | Amino Acid | Tyrosine Metabolism | nRPLC |
RPLC_589 | L-?-Hydroxyisovaleric acid | 118.063525 | 36.00000 | NA | HMDB00407 | NA | NA | 119.0713 | 117.05570 | iPOP | Amino Acid | Leucine, Isoleucine and Valine Metabolism | nRPLC |
RPLC_590 | p-Cresol glucuronide | 284.090025 | 147.95854 | NA | HMDB11686 | NA | NA | 285.0978 | 283.08220 | iPOP | Amino Acid | Tyrosine Metabolism | nRPLC |
RPLC_591 | p-Cresol sulfate | 188.014825 | 141.89306 | NA | HMDB0011635 | NA | NA | 189.0226 | 187.00700 | iPOP | Amino Acid | Tyrosine Metabolism | nRPLC |
RPLC_592 | Phenol sulphate | 173.999225 | 56.80904 | NA | HMDB60015 | C00850 | NA | 175.0070 | 172.99140 | iPOP | Amino Acid | Tyrosine Metabolism | nRPLC |
RPLC_593 | Phenyllactate (PLA) | 166.063425 | 141.89306 | NA | HMDB00779 | C05607 | NA | 167.0712 | 165.05560 | iPOP | Amino Acid | Phenylalanine Metabolism | nRPLC |
RPLC_594 | Dihydroxyvitamin D3(1) | 416.329525 | 684.00000 | NA | HMDB00430 | NA | NA | 417.3374 | 415.32170 | iPOP | Cofactors and Vitamins | Vitamin D Metabolism | nRPLC |
RPLC_595 | Dihydroxyvitamin D3(2) | 416.329525 | 654.00000 | NA | HMDB00430 | NA | NA | 417.3374 | 415.32170 | iPOP | Cofactors and Vitamins | Vitamin D Metabolism | nRPLC |
RPLC_596 | gamma-CEHC | 264.136725 | 413.26286 | NA | HMDB01931 | NA | NA | 265.1445 | 263.12890 | iPOP | Cofactors and Vitamins | Tocopherol Metabolism | nRPLC |
RPLC_597 | 16a-hydroxy DHEA 3-sulfate | 384.161325 | 461.16869 | NA | NA | NA | NA | 385.1692 | 383.15350 | iPOP | Lipid | Androgenic Steroids | nRPLC |
RPLC_598 | 5alpha-Androstan-3alpha,17alpha-diol monosulfate(1) | 372.195925 | 570.00000 | NA | NA | NA | NA | 373.2038 | 371.18810 | iPOP | Lipid | Androgenic Steroids | nRPLC |
RPLC_599 | 5alpha-Androstan-3alpha,17alpha-diol monosulfate(2) | 372.196825 | 582.00000 | NA | NA | NA | NA | 373.2047 | 371.18900 | iPOP | Lipid | Androgenic Steroids | nRPLC |
RPLC_600 | 5alpha-Androstan-3alpha,17alpha-diol monosulfate(3) | 372.196525 | 546.00000 | NA | NA | NA | NA | 373.2043 | 371.18870 | iPOP | Lipid | Androgenic Steroids | nRPLC |
RPLC_601 | 5alpha-Androstan-3alpha,17beta-diol 17-glucuronide(1) | 468.271425 | 508.97258 | NA | NA | NA | NA | 469.2792 | 467.26360 | iPOP | Lipid | Androgenic Steroids | nRPLC |
RPLC_602 | 5alpha-Androstan-3alpha,17beta-diol 17-glucuronide(2) | 468.272725 | 529.35833 | NA | NA | NA | NA | 469.2806 | 467.26490 | iPOP | Lipid | Androgenic Steroids | nRPLC |
RPLC_603 | 7-alpha-hydroxy-3-oxo-4-cholestenoate (7-Hoca) | 430.308625 | 618.00000 | NA | HMDB12458 | C17337 | NA | 431.3164 | 429.30080 | iPOP | Lipid | Sterol | nRPLC |
RPLC_604 | Androsterone glucuronide(1) | 466.256725 | 520.90762 | 1852-43-3 | HMDB02829 | C11135 | NA | 467.2645 | 465.24890 | iPOP | Lipid | Androgenic Steroids | nRPLC |
RPLC_605 | Androsterone glucuronide(2) | 466.256825 | 503.00267 | 1852-43-3 | HMDB02829 | C11135 | NA | 467.2647 | 465.24900 | iPOP | Lipid | Androgenic Steroids | nRPLC |
RPLC_606 | Androsterone sulfate(1) | 370.181925 | 570.00000 | 2479-86-9 | HMDB02759 | NA | NA | 371.1898 | 369.17410 | iPOP | Lipid | Androgenic Steroids | nRPLC |
RPLC_607 | Androsterone sulfate(2) | 370.180725 | 534.00000 | 2479-86-9 | HMDB02759 | NA | NA | 371.1886 | 369.17290 | iPOP | Lipid | Androgenic Steroids | nRPLC |
RPLC_608 | Chenodeoxycholic acid glycine conjugate(1) | 449.314725 | 564.00000 | 640-79-9 | HMDB00637 | C05466 | NA | 450.3225 | 448.30690 | iPOP | Lipid | Primary Bile Acid Metabolism | nRPLC |
RPLC_609 | Chenodeoxycholic acid glycine conjugate(2) | 449.314525 | 520.90762 | 640-79-9 | HMDB00637 | C05466 | NA | 450.3223 | 448.30670 | iPOP | Lipid | Primary Bile Acid Metabolism | nRPLC |
RPLC_610 | Chenodeoxycholic Acid(1) | 392.293425 | 588.00000 | NA | HMDB0000518 | NA | NA | 393.3012 | 391.28560 | iPOP | Lipid | Primary Bile Acid Metabolism | nRPLC |
RPLC_611 | Chenodeoxycholic Acid(2) | 392.293425 | 570.00000 | NA | HMDB0000518 | NA | NA | 393.3012 | 391.28560 | iPOP | Lipid | Primary Bile Acid Metabolism | nRPLC |
RPLC_612 | Chenodeoxycholic Acid(3) | 392.293425 | 552.00000 | NA | HMDB0000518 | NA | NA | 393.3012 | 391.28560 | iPOP | Lipid | Primary Bile Acid Metabolism | nRPLC |
RPLC_613 | Cholic Acid | 408.288225 | 552.00000 | NA | HMDB0000619 | NA | NA | 409.2960 | 407.28040 | iPOP | Lipid | Primary Bile Acid Metabolism | nRPLC |
RPLC_614 | Dehydroisoandrosterone sulfate (DHEA-S)(1) | 368.166325 | 534.00000 | NA | HMDB01032 | C04555 | NA | 369.1741 | 367.15850 | iPOP | Lipid | Androgenic Steroids | nRPLC |
RPLC_615 | Dehydroisoandrosterone sulfate (DHEA-S)(2) | 368.166025 | 526.87275 | NA | HMDB01032 | C04555 | NA | 369.1739 | 367.15820 | iPOP | Lipid | Androgenic Steroids | nRPLC |
RPLC_616 | Glycocholic acid | 465.309325 | 529.35833 | 475-31-0 | HMDB00138 | C01921 | NA | 466.3172 | 464.30150 | iPOP | Lipid | Primary Bile Acid Metabolism | nRPLC |
RPLC_617 | LysoPG(18:0) | 512.311725 | 618.00000 | NA | NA | NA | NA | 513.3196 | 511.30390 | iPOP | Lipid | Phospholipid Metabolism | nRPLC |
RPLC_618 | MG(14:1)(1) | 300.230625 | 576.00000 | NA | HMDB11531 | NA | NA | 301.2385 | 299.22280 | iPOP | Lipid | Monoacylglycerol | nRPLC |
RPLC_619 | MG(14:1)(2) | 300.230625 | 558.00000 | NA | HMDB11531 | NA | NA | 301.2385 | 299.22280 | iPOP | Lipid | Monoacylglycerol | nRPLC |
RPLC_620 | MG(14:1)(3) | 300.230525 | 594.00000 | NA | HMDB11531 | NA | NA | 301.2384 | 299.22270 | iPOP | Lipid | Monoacylglycerol | nRPLC |
RPLC_621 | MG(15:0)(1) | 316.261925 | 564.00000 | NA | HMDB11532 | NA | NA | 317.2697 | 315.25410 | iPOP | Lipid | Monoacylglycerol | nRPLC |
RPLC_622 | MG(15:0)(2) | 316.261925 | 552.00000 | NA | HMDB11532 | NA | NA | 317.2697 | 315.25410 | iPOP | Lipid | Monoacylglycerol | nRPLC |
RPLC_623 | MG(15:0)(3) | 316.261725 | 582.00000 | NA | HMDB11532 | NA | NA | 317.2695 | 315.25390 | iPOP | Lipid | Monoacylglycerol | nRPLC |
RPLC_624 | MG(16:1) | 328.261625 | 630.00000 | NA | HMDB11534 | NA | NA | 329.2695 | 327.25380 | iPOP | Lipid | Monoacylglycerol | nRPLC |
RPLC_625 | MG(18:1) | 356.293025 | 660.00000 | NA | HMDB11536 | NA | NA | 357.3009 | 355.28520 | iPOP | Lipid | Monoacylglycerol | nRPLC |
RPLC_626 | MG(18:3) | 352.261825 | 618.00000 | NA | HMDB11539 | NA | NA | 353.2697 | 351.25400 | iPOP | Lipid | Monoacylglycerol | nRPLC |
RPLC_627 | MG(20:0) | 386.339825 | 648.00000 | NA | HMDB11542 | NA | NA | 387.3476 | 385.33200 | iPOP | Lipid | Monoacylglycerol | nRPLC |
RPLC_628 | MG(20:4)(1) | 378.277425 | 630.00000 | 53847-30-6 | HMDB04666 | NA | NA | 379.2853 | 377.26960 | iPOP | Lipid | Monoacylglycerol | nRPLC |
RPLC_629 | MG(20:4)(2) | 378.277625 | 552.00000 | 53847-30-6 | HMDB04666 | NA | NA | 379.2855 | 377.26980 | iPOP | Lipid | Monoacylglycerol | nRPLC |
RPLC_630 | MG(20:5) | 376.261825 | 612.00000 | NA | HMDB11550 | NA | NA | 377.2697 | 375.25400 | iPOP | Lipid | Monoacylglycerol | nRPLC |
RPLC_631 | MG(22:2) | 410.340025 | 672.00000 | NA | HMDB11553 | NA | NA | 411.3478 | 409.33220 | iPOP | Lipid | Monoacylglycerol | nRPLC |
RPLC_632 | MG(24:0)(1) | 442.402525 | 678.00000 | NA | HMDB11558 | NA | NA | 443.4103 | 441.39470 | iPOP | Lipid | Monoacylglycerol | nRPLC |
RPLC_633 | MG(24:0)(2) | 442.402825 | 672.00000 | NA | HMDB11558 | NA | NA | 443.4106 | 441.39500 | iPOP | Lipid | Monoacylglycerol | nRPLC |
RPLC_634 | MG(24:1) | 440.387025 | 666.00000 | NA | HMDB11559 | NA | NA | 441.3949 | 439.37920 | iPOP | Lipid | Monoacylglycerol | nRPLC |
RPLC_635 | Palmitoylglycine | 313.262425 | 624.00000 | 158305-64-7 | HMDB13034 | NA | NA | 314.2702 | 312.25460 | iPOP | Lipid | Fatty Acid Metabolism(Acyl Glycine) | nRPLC |
RPLC_636 | Pregnanediol-3-glucuronide | 496.304025 | 546.00000 | NA | HMDB10318 | C03033 | NA | 497.3118 | 495.29620 | iPOP | Lipid | Progestin Steroids | nRPLC |
RPLC_637 | Pregnanolone sulfate | 398.213225 | 576.00000 | NA | NA | NA | NA | 399.2210 | 397.20540 | iPOP | Lipid | Progestin Steroids | nRPLC |
RPLC_638 | Pregnenolone sulfate | 396.197525 | 600.00000 | 1247-64-9 | HMDB00774 | NA | NA | 397.2054 | 395.18970 | iPOP | Lipid | Progestin Steroids | nRPLC |
RPLC_639 | Sulfolithocholic acid | 456.255025 | 660.00000 | 34669-57-3 | HMDB00907 | NA | NA | 457.2629 | 455.24720 | iPOP | Lipid | Secondary Bile Acid Metabolism | nRPLC |
RPLC_640 | Sulfolithocholylglycine | 513.276125 | 648.00000 | 15324-64-8 | HMDB02639 | C11301 | NA | 514.2840 | 512.26830 | iPOP | Lipid | Secondary Bile Acid Metabolism | nRPLC |
RPLC_641 | Taurocholic acid(1) | 515.291625 | 576.00000 | 81-24-3 | HMDB00036 | C05122 | NA | 516.2994 | 514.28380 | iPOP | Lipid | Primary Bile Acid Metabolism | nRPLC |
RPLC_642 | Taurocholic acid(2) | 515.293125 | 529.35833 | 81-24-3 | HMDB00036 | C05122 | NA | 516.3009 | 514.28530 | iPOP | Lipid | Primary Bile Acid Metabolism | nRPLC |
RPLC_643 | Tauroursodeoxycholic acid | 499.297025 | 618.00000 | 14605-22-2 | HMDB00874 | NA | NA | 500.3048 | 498.28920 | iPOP | Lipid | Secondary Bile Acid Metabolism | nRPLC |
RPLC_644 | Tetrahydroaldosterone-3-glucuronide(1) | 540.257225 | 425.24888 | 20605-81-6 | HMDB10357 | NA | NA | 541.2650 | 539.24940 | iPOP | Lipid | Androgenic Steroids | nRPLC |
RPLC_645 | Tetrahydroaldosterone-3-glucuronide(2) | 540.256725 | 529.35833 | 20605-81-6 | HMDB10357 | NA | NA | 541.2645 | 539.24890 | iPOP | Lipid | Androgenic Steroids | nRPLC |
RPLC_646 | Tetrahydrocortisol | 366.241125 | 582.00000 | 53-02-1 | HMDB00949 | C05472 | NA | 367.2489 | 365.23330 | iPOP | Lipid | Androgenic Steroids | nRPLC |
RPLC_647 | N6-Carbamoyl-L-threonyladenosine | 412.134825 | 220.62010 | NA | HMDB41623 | NA | NA | 413.1427 | 411.12700 | iPOP | Nucleotide | Purine Metabolism, Adenine containing | nRPLC |
RPLC_648 | gamma-glutamylhistidine | 284.116625 | 576.00000 | NA | NA | NA | NA | 285.1245 | 283.10880 | iPOP | Peptide | Gamma-glutamyl Amino Acid | nRPLC |
RPLC_649 | 3-Phenylpropionate (hydrocinnamate) | 150.068525 | 280.99618 | NA | HMDB00764 | C05629 | NA | 151.0763 | 149.06070 | iPOP | Xenobiotics | Benzoate Metabolism | nRPLC |
RPLC_650 | 4-Methylcatechol sulfate | 204.009825 | 117.61520 | NA | NA | NA | NA | 205.0177 | 203.00200 | iPOP | Xenobiotics | Benzoate Metabolism | nRPLC |
RPLC_651 | Cinnamoylglycine | 205.074425 | 262.90008 | 16534-24-0 | HMDB11621 | NA | NA | 206.0822 | 204.06660 | iPOP | Xenobiotics | Food Component/Plant | nRPLC |
RPLC_652 | eugenol sulfate | 244.040925 | 329.18236 | NA | NA | NA | NA | 245.0488 | 243.03310 | iPOP | Xenobiotics | Food Component/Plant | nRPLC |
RPLC_653 | methyl-4-hydroxybenzoate sulfate | 232.004625 | 250.82805 | NA | NA | NA | NA | 233.0125 | 230.99680 | iPOP | Xenobiotics | Benzoate Metabolism | nRPLC |
RPLC_654 | Phenylbutyric acid | 164.084325 | 449.20179 | 90-27-7 | HMDB00329 | NA | NA | 165.0922 | 163.07650 | iPOP | Xenobiotics | Benzoate Metabolism | nRPLC |
RPLC_655 | Thyroxine | 776.682675 | 426.00000 | 51-48-9 | HMDB01918 | C01829 | NA | 777.6905 | 775.67485 | iPOP_Exercise | Amino Acid | Tyrosine Metabolism | pRPLC |
RPLC_656 | Nicotinamide | 122.047275 | 54.00000 | 0 | HMDB01406 | C00153 | NA | 123.0551 | 121.03945 | iPOP_Exercise | Cofactors and Vitamins | Nicotinate and Nicotinamide Metabolism | pRPLC |
RPLC_657 | N1-Methyl-2-pyridone-5-carboxamide | 152.057875 | 66.00000 | NA | HMDB04193 | C05842 | NA | 153.0657 | 151.05005 | iPOP_Exercise | Cofactors and Vitamins | Nicotinate and Nicotinamide Metabolism | pRPLC |
RPLC_658 | Retinol (Vitamin A) | 268.217975 | 618.00000 | NA | HMDB00305 | C00473 | NA | 269.2258 | 267.21015 | iPOP_Exercise | Cofactors and Vitamins | Vitamin A Metabolism | pRPLC |
RPLC_659 | Biliverdin | 582.245675 | 642.00000 | 114-25-0 | HMDB01008 | C00500 | NA | 583.2535 | 581.23785 | iPOP_Exercise | Cofactors and Vitamins | Hemoglobin and Porphyrin Metabolism | pRPLC |
RPLC_660 | C5:0 AC (2-methylbutyrylcarnitine|isovalerylcarnitine) | 245.161475 | 108.00000 | 31023-25-3 | HMDB00378 | NA | NA | 246.1693 | 244.15365 | iPOP_Exercise | Lipid | Fatty Acid Metabolism(Acyl Carnitine) | pRPLC |
RPLC_661 | C6:0 AC (Hexanoylcarnitine) | 259.177075 | 192.00000 | 6418-78-6 | HMDB00705 | NA | NA | 260.1849 | 258.16925 | iPOP_Exercise | Lipid | Fatty Acid Metabolism(Acyl Carnitine) | pRPLC |
RPLC_662 | C8:1 AC (Octenoylcarnitine) | 285.192575 | 252.00000 | NA | HMDB13324 | NA | NA | 286.2004 | 284.18475 | iPOP_Exercise | Lipid | Fatty Acid Metabolism(Acyl Carnitine) | pRPLC |
RPLC_663 | C8:0 AC (L-Octanoylcarnitine) | 287.208275 | 306.00000 | 25243-95-2 | HMDB00791 | C02838 | NA | 288.2161 | 286.20045 | iPOP_Exercise | Lipid | Fatty Acid Metabolism(Acyl Carnitine) | pRPLC |
RPLC_664 | C9:0 AC (Nonanoylcarnitine) | 301.223875 | 330.00000 | NA | HMDB13288 | NA | NA | 302.2317 | 300.21605 | iPOP_Exercise | Lipid | Fatty Acid Metabolism(Acyl Carnitine) | pRPLC |
RPLC_665 | Sphinganine | 301.296575 | 504.00000 | 764-22-7 | HMDB00269 | C00836 | NA | 302.3044 | 300.28875 | iPOP_Exercise | Lipid | Sphingolipid Metabolism | pRPLC |
RPLC_666 | C10:3 AC (Decatrenoylcarnitine) | 309.192475 | 300.00000 | NA | NA | NA | NA | 310.2003 | 308.18465 | iPOP_Exercise | Lipid | Fatty Acid Metabolism(Acyl Carnitine) | pRPLC |
RPLC_667 | Oleoyl Ethyl Amide | 309.301775 | 654.00000 | NA | NA | NA | NA | 310.3096 | 308.29395 | iPOP_Exercise | Lipid | Fatty Acid, Amide | pRPLC |
RPLC_668 | C10:2 AC (Decadienoylcarnitine) | 311.208075 | 324.00000 | NA | HMDB13325 | NA | NA | 312.2159 | 310.20025 | iPOP_Exercise | Lipid | Fatty Acid Metabolism(Acyl Carnitine) | pRPLC |
RPLC_669 | C10:1 AC (Decenoylcarnitine) | 313.223775 | 354.00000 | NA | HMDB13205 | NA | NA | 314.2316 | 312.21595 | iPOP_Exercise | Lipid | Fatty Acid Metabolism(Acyl Carnitine) | pRPLC |
RPLC_670 | C10:0 AC (Decanoylcarnitine) | 315.239475 | 396.00000 | 1492-27-9 | HMDB00651 | NA | NA | 316.2473 | 314.23165 | iPOP_Exercise | Lipid | Fatty Acid Metabolism(Acyl Carnitine) | pRPLC |
RPLC_671 | Allopregnanolone | 318.254375 | 654.00000 | 516-54-1 | HMDB01449 | C13712 | NA | 319.2622 | 317.24655 | iPOP_Exercise | Lipid | Progestin Steroids | pRPLC |
RPLC_672 | C11:0 AC (Undecanoylcarnitine) | 329.255075 | 420.00000 | NA | HMDB13321 | NA | NA | 330.2629 | 328.24725 | iPOP_Exercise | Lipid | Fatty Acid Metabolism(Acyl Carnitine) | pRPLC |
RPLC_673 | C10:0,OH AC (Hydroxydecanoyl carnitine) | 331.234175 | 318.00000 | NA | HMDB61636 | 0 | NA | 332.2420 | 330.22635 | iPOP_Exercise | Lipid | Fatty Acid Metabolism(Acyl Carnitine) | pRPLC |
RPLC_674 | C12:1 AC (Dodecenoylcarnitine) | 341.254975 | 426.00000 | NA | HMDB13326 | NA | NA | 342.2628 | 340.24715 | iPOP_Exercise | Lipid | Fatty Acid Metabolism(Acyl Carnitine) | pRPLC |
RPLC_675 | C12:0 AC (Dodecanoylcarnitine) | 343.270575 | 462.00000 | 25518-54-1 | HMDB02250 | NA | NA | 344.2784 | 342.26275 | iPOP_Exercise | Lipid | Fatty Acid Metabolism(Acyl Carnitine) | pRPLC |
RPLC_676 | Deoxycortisol | 346.212775 | 408.00000 | 0 | HMDB04030 | C05497 | NA | 347.2206 | 345.20495 | iPOP_Exercise | Lipid | Corticosteroids | pRPLC |
RPLC_677 | C16 Sphingosine 1-phosphate | 351.215875 | 504.00000 | NA | HMDB60061 | NA | NA | 352.2237 | 350.20805 | iPOP_Exercise | Lipid | Sphingolipid Metabolism | pRPLC |
RPLC_678 | Hydroxy-cholenoic acid | 356.269975 | 576.00000 | NA | HMDB00308 | NA | NA | 357.2778 | 355.26215 | iPOP_Exercise | Lipid | Secondary Bile Acid Metabolism | pRPLC |
RPLC_679 | Cortisol | 362.207675 | 414.00000 | 50-23-7 | HMDB00063 | C00735 | NA | 363.2155 | 361.19985 | iPOP_Exercise | Lipid | Corticosteroids | pRPLC |
RPLC_680 | Tetrahydrocortisone | 364.223075 | 408.00000 | 53-05-4 | HMDB00903 | NA | NA | 365.2309 | 363.21525 | iPOP_Exercise | Lipid | Corticosteroids | pRPLC |
RPLC_681 | C14:2 AC (Tetradecadiencarnitine) | 367.270475 | 456.00000 | NA | HMDB13331 | NA | NA | 368.2783 | 366.26265 | iPOP_Exercise | Lipid | Fatty Acid Metabolism(Acyl Carnitine) | pRPLC |
RPLC_682 | C14:1 AC (Tetradecenoylcarnitine) | 369.286175 | 486.00000 | 835598-21-5 | HMDB02014 | NA | NA | 370.2940 | 368.27835 | iPOP_Exercise | Lipid | Fatty Acid Metabolism(Acyl Carnitine) | pRPLC |
RPLC_683 | C18 Sphingosine 1-phosphate | 379.247075 | 552.00000 | 26993-30-6 | HMDB00277 | C06124 | NA | 380.2549 | 378.23925 | iPOP_Exercise | Lipid | Sphingolipid Metabolism | pRPLC |
RPLC_684 | Sphinganine 1-phosphate | 381.262975 | 564.00000 | 19794-97-9 | HMDB01383 | C01120 | NA | 382.2708 | 380.25515 | iPOP_Exercise | Lipid | Sphingolipid Metabolism | pRPLC |
RPLC_685 | C14:1,OH AC (Hydroxy-tetradecenoylcarnitine) | 385.281075 | 444.00000 | NA | HMDB13330 | 0 | NA | 386.2889 | 384.27325 | iPOP_Exercise | Lipid | Fatty Acid Metabolism(Acyl Carnitine) | pRPLC |
RPLC_686 | C14:0,OH AC (Hydroxymyristoylcarnitine) | 387.296675 | 474.00000 | 0 | HMDB13166 | 0 | NA | 388.3045 | 386.28885 | iPOP_Exercise | Lipid | Fatty Acid Metabolism(Acyl Carnitine) | pRPLC |
RPLC_687 | C16:2 AC (Hexadecadienoylcarnitine) | 395.301875 | 498.00000 | NA | HMDB13334 | 0 | NA | 396.3097 | 394.29405 | iPOP_Exercise | Lipid | Fatty Acid Metabolism(Acyl Carnitine) | pRPLC |
RPLC_688 | C16:1 AC (Hexadecenoyl carnitine) | 397.317475 | 528.00000 | NA | HMDB06317 | NA | NA | 398.3253 | 396.30965 | iPOP_Exercise | Lipid | Fatty Acid Metabolism(Acyl Carnitine) | pRPLC |
RPLC_689 | C16:0 AC (L-Palmitoylcarnitine) | 399.333075 | 558.00000 | 0 | NA | NA | NA | 400.3409 | 398.32525 | iPOP_Exercise | Lipid | Fatty Acid Metabolism(Acyl Carnitine) | pRPLC |
RPLC_690 | C18:2 AC (Linoleyl carnitine) | 423.333075 | 546.00000 | NA | HMDB06461 | NA | NA | 424.3409 | 422.32525 | iPOP_Exercise | Lipid | Fatty Acid Metabolism(Acyl Carnitine) | pRPLC |
RPLC_691 | C18:1 AC (Oleoylcarnitine) | 425.348875 | 570.00000 | 38677-66-6 | HMDB05065 | NA | NA | 426.3567 | 424.34105 | iPOP_Exercise | Lipid | Fatty Acid Metabolism(Acyl Carnitine) | pRPLC |
RPLC_692 | C18:0 AC (Stearoylcarnitine) | 427.364175 | 594.00000 | 1976-27-8 | HMDB00848 | 0 | NA | 428.3720 | 426.35635 | iPOP_Exercise | Lipid | Fatty Acid Metabolism(Acyl Carnitine) | pRPLC |
RPLC_693 | LysoPE(P-16:0) | 437.288975 | 600.00000 | NA | HMDB11152 | NA | NA | 438.2968 | 436.28115 | iPOP_Exercise | Lipid | Phospholipid Metabolism | pRPLC |
RPLC_694 | LysoPE(16:1) | 451.268175 | 558.00000 | NA | HMDB11474 | NA | NA | 452.2760 | 450.26035 | iPOP_Exercise | Lipid | Phospholipid Metabolism | pRPLC |
RPLC_695 | LysoPE(16:0) | 453.284175 | 588.00000 | NA | HMDB11473 | NA | NA | 454.2920 | 452.27635 | iPOP_Exercise | Lipid | Phospholipid Metabolism | pRPLC |
RPLC_696 | 6-Dehydrotestosterone glucuronide | 462.223675 | 522.00000 | NA | HMDB10337 | C03033 | NA | 463.2315 | 461.21585 | iPOP_Exercise | Lipid | Androgenic Steroids | pRPLC |
RPLC_697 | LysoPC(14:0) | 467.299475 | 552.00000 | NA | HMDB10379 | C04230 | NA | 468.3073 | 466.29165 | iPOP_Exercise | Lipid | Phospholipid Metabolism | pRPLC |
RPLC_698 | LysoPE(18:3) | 475.267575 | 558.00000 | NA | HMDB11478 | NA | NA | 476.2754 | 474.25975 | iPOP_Exercise | Lipid | Phospholipid Metabolism | pRPLC |
RPLC_699 | LysoPE(18:2) | 477.283975 | 576.00000 | NA | HMDB11477 | NA | NA | 478.2918 | 476.27615 | iPOP_Exercise | Lipid | Phospholipid Metabolism | pRPLC |
RPLC_700 | LysoPE(18:1) | 479.299975 | 594.00000 | NA | HMDB11475 | NA | NA | 480.3078 | 478.29215 | iPOP_Exercise | Lipid | Phospholipid Metabolism | pRPLC |
RPLC_701 | LysoPC(P-16:0) | 479.335975 | 606.00000 | NA | HMDB10407 | C04230 | NA | 480.3438 | 478.32815 | iPOP_Exercise | Lipid | Phospholipid Metabolism | pRPLC |
RPLC_702 | LysoPE(18:0) | 481.315175 | 618.00000 | NA | HMDB11129 | NA | NA | 482.3230 | 480.30735 | iPOP_Exercise | Lipid | Phospholipid Metabolism | pRPLC |
RPLC_703 | LysoPC(15:0) | 481.315275 | 576.00000 | NA | HMDB10381 | C04230 | NA | 482.3231 | 480.30745 | iPOP_Exercise | Lipid | Phospholipid Metabolism | pRPLC |
RPLC_704 | LysoPC(16:1) | 493.315275 | 564.00000 | NA | HMDB10383 | C04230 | NA | 494.3231 | 492.30745 | iPOP_Exercise | Lipid | Phospholipid Metabolism | pRPLC |
RPLC_705 | LysoPC(16:0) | 495.330875 | 594.00000 | NA | HMDB10382 | C04230 | NA | 496.3387 | 494.32305 | iPOP_Exercise | Lipid | Phospholipid Metabolism | pRPLC |
RPLC_706 | LysoPE(20:5) | 499.268075 | 558.00000 | NA | HMDB11489 | NA | NA | 500.2759 | 498.26025 | iPOP_Exercise | Lipid | Phospholipid Metabolism | pRPLC |
RPLC_707 | LysoPE(20:4) | 501.284075 | 576.00000 | NA | HMDB11487 | NA | NA | 502.2919 | 500.27625 | iPOP_Exercise | Lipid | Phospholipid Metabolism | pRPLC |
RPLC_708 | LysoPE(20:3) | 503.299675 | 588.00000 | NA | HMDB11484 | NA | NA | 504.3075 | 502.29185 | iPOP_Exercise | Lipid | Phospholipid Metabolism | pRPLC |
RPLC_709 | LysoPC(P-18:0) | 507.367275 | 618.00000 | NA | HMDB13122 | C04230 | NA | 508.3751 | 506.35945 | iPOP_Exercise | Lipid | Phospholipid Metabolism | pRPLC |
RPLC_710 | LysoPC(17:0) | 509.346975 | 612.00000 | NA | HMDB12108 | C04230 | NA | 510.3548 | 508.33915 | iPOP_Exercise | Lipid | Phospholipid Metabolism | pRPLC |
RPLC_711 | LysoPC(O-18:0) | 509.382975 | 648.00000 | NA | HMDB11149 | C04317 | NA | 510.3908 | 508.37515 | iPOP_Exercise | Lipid | Phospholipid Metabolism | pRPLC |
RPLC_712 | LysoPC(18:3) | 517.315275 | 564.00000 | NA | HMDB10387 | C04230 | NA | 518.3231 | 516.30745 | iPOP_Exercise | Lipid | Phospholipid Metabolism | pRPLC |
RPLC_713 | LysoPC(18:2) | 519.331075 | 582.00000 | NA | HMDB10386 | C04230 | NA | 520.3389 | 518.32325 | iPOP_Exercise | Lipid | Phospholipid Metabolism | pRPLC |
RPLC_714 | LysoPC(18:1) | 521.346775 | 606.00000 | 3542-29-8 | HMDB02815 | C04230 | NA | 522.3546 | 520.33895 | iPOP_Exercise | Lipid | Phospholipid Metabolism | pRPLC |
RPLC_715 | LysoPC(18:0) | 523.362575 | 630.00000 | 5655-17-4 | HMDB10384 | C04230 | NA | 524.3704 | 522.35475 | iPOP_Exercise | Lipid | Phospholipid Metabolism | pRPLC |
RPLC_716 | LysoPE(22:6) | 525.283675 | 576.00000 | NA | HMDB11496 | NA | NA | 526.2915 | 524.27585 | iPOP_Exercise | Lipid | Phospholipid Metabolism | pRPLC |
RPLC_717 | LysoPE(22:0) | 537.377875 | 642.00000 | NA | HMDB11490 | NA | NA | 538.3857 | 536.37005 | iPOP_Exercise | Lipid | Phospholipid Metabolism | pRPLC |
RPLC_718 | LysoPC(20:5) | 541.315275 | 564.00000 | NA | HMDB10397 | C04230 | NA | 542.3231 | 540.30745 | iPOP_Exercise | Lipid | Phospholipid Metabolism | pRPLC |
RPLC_719 | LysoPC(20:4) | 543.331175 | 582.00000 | NA | HMDB10395 | C04230 | NA | 544.3390 | 542.32335 | iPOP_Exercise | Lipid | Phospholipid Metabolism | pRPLC |
RPLC_720 | LysoPC(20:3) | 545.346775 | 594.00000 | NA | HMDB10393 | C04230 | NA | 546.3546 | 544.33895 | iPOP_Exercise | Lipid | Phospholipid Metabolism | pRPLC |
RPLC_721 | LysoPC(20:2) | 547.362475 | 618.00000 | NA | HMDB10392 | C04230 | NA | 548.3703 | 546.35465 | iPOP_Exercise | Lipid | Phospholipid Metabolism | pRPLC |
RPLC_722 | LysoPC(20:1) | 549.377675 | 636.00000 | NA | HMDB10391 | C04230 | NA | 550.3855 | 548.36985 | iPOP_Exercise | Lipid | Phospholipid Metabolism | pRPLC |
RPLC_723 | LysoPC(20:0) | 551.393775 | 660.00000 | NA | HMDB10390 | C04230 | NA | 552.4016 | 550.38595 | iPOP_Exercise | Lipid | Phospholipid Metabolism | pRPLC |
RPLC_724 | LysoPC(22:6) | 567.330075 | 582.00000 | NA | HMDB10404 | C04230 | NA | 568.3379 | 566.32225 | iPOP_Exercise | Lipid | Phospholipid Metabolism | pRPLC |
RPLC_725 | LysoPC(22:5) | 569.345975 | 594.00000 | NA | HMDB10402 | C04230 | NA | 570.3538 | 568.33815 | iPOP_Exercise | Lipid | Phospholipid Metabolism | pRPLC |
RPLC_726 | 7-Methylguanine | 165.064375 | 66.00000 | 578-76-7 | HMDB00897 | C02242 | NA | 166.0722 | 164.05655 | iPOP_Exercise | Nucleotide | Purine Metabolism, Guanine containing | pRPLC |
RPLC_727 | gamma-glutamylphenylalanine | 294.119975 | 66.00000 | NA | HMDB00594 | NA | NA | 295.1278 | 293.11215 | iPOP_Exercise | Peptide | Gamma-glutamyl Amino Acid | pRPLC |
RPLC_728 | 2-Piperidinone | 99.067775 | 60.00000 | NA | HMDB11749 | NA | NA | 100.0756 | 98.05995 | iPOP_Exercise | Xenobiotics | Food Component/Plant | pRPLC |
RPLC_729 | Amino-Hydroxy-benzoic acid | 153.041875 | 90.00000 | 0 | HMDB01476 | C00632 | NA | 154.0497 | 152.03405 | iPOP_Exercise | Xenobiotics | Benzoate Metabolism | pRPLC |
RPLC_730 | S-Allylcysteine | 161.050375 | 30.00000 | 21593-77-1 | HMDB34323 | C16759 | NA | 162.0582 | 160.04255 | iPOP_Exercise | Xenobiotics | Food Component/Plant | pRPLC |
RPLC_731 | Theobromine | 180.063775 | 180.00000 | 83-67-0 | HMDB02825 | C07480 | NA | 181.0716 | 179.05595 | iPOP_Exercise | Xenobiotics | Xanthine Metabolism | pRPLC |
RPLC_732 | Theophylline | 180.063775 | 192.00000 | 611-59-6 | HMDB01889 | C07130 | NA | 181.0716 | 179.05595 | iPOP_Exercise | Xenobiotics | Xanthine Metabolism | pRPLC |
RPLC_733 | Caffeine | 194.079375 | 264.00000 | 58-08-2 | HMDB01847 | C07481 | NA | 195.0872 | 193.07155 | iPOP_Exercise | Xenobiotics | Xanthine Metabolism | pRPLC |
RPLC_734 | Dihydroferulic acid 4-sulfate | 276.029575 | 294.00000 | NA | HMDB41724 | NA | NA | 277.0374 | 275.02175 | iPOP_Exercise | Xenobiotics | Food Component/Plant | pRPLC |
RPLC_735 | Piperine(1) | 285.135175 | 492.00000 | 30511-76-3 | HMDB29377 | C03882 | NA | 286.1430 | 284.12735 | iPOP_Exercise | Xenobiotics | Food Component/Plant | pRPLC |
RPLC_736 | Piperine(2) | 285.135175 | 504.00000 | 30511-76-3 | HMDB29377 | C03882 | NA | 286.1430 | 284.12735 | iPOP_Exercise | Xenobiotics | Food Component/Plant | pRPLC |
RPLC_737 | L-a-Hydroxyisovaleric acid | 118.063625 | 42.00000 | NA | HMDB00407 | NA | NA | 119.0714 | 117.05580 | iPOP_Exercise | Amino Acid | Leucine, Isoleucine and Valine Metabolism | nRPLC |
RPLC_738 | 4-methyl-2-oxopentanoate|3-Methyl-2-oxovaleric acid | 130.063625 | 48.00000 | NA | HMDB00695|HMDB03736 | C00233|C00671 | NA | 131.0714 | 129.05580 | iPOP_Exercise | Amino Acid | Leucine, Isoleucine and Valine Metabolism | nRPLC |
RPLC_739 | (S)-(-)-2-Hydroxyisocaproic acid | 132.079225 | 84.00000 | NA | HMDB0000746 | NA | NA | 133.0871 | 131.07140 | iPOP_Exercise | Amino Acid | Leucine, Isoleucine and Valine Metabolism | nRPLC |
RPLC_740 | Phenyllactate (PLA) | 166.063425 | 126.00000 | NA | HMDB00779 | C05607 | NA | 167.0712 | 165.05560 | iPOP_Exercise | Amino Acid | Phenylalanine Metabolism | nRPLC |
RPLC_741 | N-Acetylleucine|N-Acetylisoleucine | 173.105825 | 156.00000 | NA | HMDB11756|HMDB61684 | |C02710 | NA | 174.1137 | 172.09800 | iPOP_Exercise | Amino Acid | Leucine, Isoleucine and Valine Metabolism | nRPLC |
RPLC_742 | Phenol sulphate | 173.999025 | 48.00000 | NA | HMDB60015 | C00850 | NA | 175.0068 | 172.99120 | iPOP_Exercise | Amino Acid | Tyrosine Metabolism | nRPLC |
RPLC_743 | p-Cresol sulfate | 188.014625 | 114.00000 | NA | HMDB0011635 | NA | NA | 189.0224 | 187.00680 | iPOP_Exercise | Amino Acid | Tyrosine Metabolism | nRPLC |
RPLC_744 | Kynurenic acid | 189.042925 | 168.00000 | 492-27-3 | HMDB00715 | C01717 | NA | 190.0507 | 188.03510 | iPOP_Exercise | Amino Acid | Tryptophan Metabolism | nRPLC |
RPLC_745 | N-Acetyl-L-phenylalanine | 207.089825 | 192.00000 | 2018-61-3 | HMDB00512 | C03519 | NA | 208.0976 | 206.08200 | iPOP_Exercise | Amino Acid | Phenylalanine Metabolism | nRPLC |
RPLC_746 | p-Cresol glucuronide | 284.089325 | 126.00000 | NA | HMDB11686 | NA | NA | 285.0971 | 283.08150 | iPOP_Exercise | Amino Acid | Tyrosine Metabolism | nRPLC |
RPLC_747 | Pyridoxic acid | 183.053625 | 54.00000 | 82-82-6 | HMDB00017 | C00847 | NA | 184.0615 | 182.04580 | iPOP_Exercise | Cofactors and Vitamins | Vitamin B6 Metabolism | nRPLC |
RPLC_748 | gamma-CEHC | 264.136125 | 396.00000 | NA | HMDB01931 | NA | NA | 265.1440 | 263.12830 | iPOP_Exercise | Cofactors and Vitamins | Tocopherol Metabolism | nRPLC |
RPLC_749 | C8:2,OH FA (Hydroxy-octadienoic acid) | 156.079225 | 198.00000 | NA | HMDB31101 | NA | NA | 157.0871 | 155.07140 | iPOP_Exercise | Lipid | Fatty Acid, Monohydroxy | nRPLC |
RPLC_750 | C8:1,OH FA (Hydroxy-octenoic acid) | 158.094725 | 282.00000 | 0 | 0 | 0 | NA | 159.1026 | 157.08690 | iPOP_Exercise | Lipid | Fatty Acid, Monohydroxy | nRPLC |
RPLC_751 | C8:0,OH FA(1) (Hydroxyoctanoic acid) | 160.110425 | 294.00000 | NA | HMDB00486 | NA | NA | 161.1182 | 159.10260 | iPOP_Exercise | Lipid | Fatty Acid, Monohydroxy | nRPLC |
RPLC_752 | C8:0,OH FA(2) (Hydroxyoctanoic acid) | 160.110425 | 318.00000 | NA | HMDB00486 | NA | NA | 161.1182 | 159.10260 | iPOP_Exercise | Lipid | Fatty Acid, Monohydroxy | nRPLC |
RPLC_753 | C10:3 FA (Decatrienoic acid) | 166.099825 | 420.00000 | NA | NA | NA | NA | 167.1077 | 165.09200 | iPOP_Exercise | Lipid | Medium Chain Fatty Acid | nRPLC |
RPLC_754 | C10:2 FA (Decadienoic acid) | 168.115525 | 420.00000 | NA | NA | NA | NA | 169.1233 | 167.10770 | iPOP_Exercise | Lipid | Medium Chain Fatty Acid | nRPLC |
RPLC_755 | C10:1 FA (Decenoic acid) | 170.131225 | 468.00000 | 57602-94-5 | HMDB04980 | NA | NA | 171.1390 | 169.12340 | iPOP_Exercise | Lipid | Medium Chain Fatty Acid | nRPLC |
RPLC_756 | C9:1,OH FA (Hydroxy-nonenoic acid) | 172.110525 | 330.00000 | NA | NA | NA | NA | 173.1183 | 171.10270 | iPOP_Exercise | Lipid | Fatty Acid, Monohydroxy | nRPLC |
RPLC_757 | C10:2,OH FA (Hydroxy-decadienoic acid) | 184.110325 | 342.00000 | NA | NA | NA | NA | 185.1182 | 183.10250 | iPOP_Exercise | Lipid | Fatty Acid, Monohydroxy | nRPLC |
RPLC_758 | C11:1 FA (Undecenoic acid) | 184.146725 | 498.00000 | NA | HMDB33724 | C13910 | NA | 185.1546 | 183.13890 | iPOP_Exercise | Lipid | Medium Chain Fatty Acid | nRPLC |
RPLC_759 | C10:1,OH FA (Hydroxy-decenoic acid) | 186.126025 | 396.00000 | NA | HMDB39533 | NA | NA | 187.1338 | 185.11820 | iPOP_Exercise | Lipid | Fatty Acid, Monohydroxy | nRPLC |
RPLC_760 | C9:0,DC FA (Azelaic acid) | 188.105325 | 312.00000 | NA | HMDB00784 | C08261 | NA | 189.1131 | 187.09750 | iPOP_Exercise | Lipid | Fatty Acid, Dicarboxylate | nRPLC |
RPLC_761 | C10:0,OH FA(1) (Hydroxycapric acid) | 188.141625 | 420.00000 | NA | HMDB02203 | NA | NA | 189.1495 | 187.13380 | iPOP_Exercise | Lipid | Fatty Acid, Monohydroxy | nRPLC |
RPLC_762 | C10:0,OH FA(2) (Hydroxycapric acid) | 188.141625 | 438.00000 | NA | HMDB02203 | NA | NA | 189.1495 | 187.13380 | iPOP_Exercise | Lipid | Fatty Acid, Monohydroxy | nRPLC |
RPLC_763 | C12:2 FA (Dodecadienoic acid) | 196.146625 | 510.00000 | NA | NA | NA | NA | 197.1544 | 195.13880 | iPOP_Exercise | Lipid | Medium Chain Fatty Acid | nRPLC |
RPLC_764 | C12:1 FA(1) (Dodecenoic acid) | 198.162425 | 528.00000 | NA | HMDB00529 | NA | NA | 199.1703 | 197.15460 | iPOP_Exercise | Lipid | Medium Chain Fatty Acid | nRPLC |
RPLC_765 | C12:1 FA(2) (Dodecenoic acid) | 198.162425 | 540.00000 | NA | HMDB00529 | NA | NA | 199.1703 | 197.15460 | iPOP_Exercise | Lipid | Medium Chain Fatty Acid | nRPLC |
RPLC_766 | C10:1,DC FA (Decenedicarboxylic acid) | 200.105325 | 324.00000 | 72879-22-2 | HMDB00603 | NA | NA | 201.1131 | 199.09750 | iPOP_Exercise | Lipid | Fatty Acid, Dicarboxylate | nRPLC |
RPLC_767 | C12:0 FA (Dodecanoic acid) | 200.178025 | 558.00000 | 143-07-7 | HMDB00638 | C02679 | NA | 201.1858 | 199.17020 | iPOP_Exercise | Lipid | Medium Chain Fatty Acid | nRPLC |
RPLC_768 | C10:0,DC FA (Sebacic acid) | 202.120925 | 372.00000 | 111-20-6 | HMDB00792 | C08277 | NA | 203.1287 | 201.11310 | iPOP_Exercise | Lipid | Fatty Acid, Dicarboxylate | nRPLC |
RPLC_769 | C12:3,OH FA(1) (Hydroxy-dodecatrienoic acid) | 210.126025 | 378.00000 | NA | NA | NA | NA | 211.1338 | 209.11820 | iPOP_Exercise | Lipid | Fatty Acid, Monohydroxy | nRPLC |
RPLC_770 | C12:3,OH FA(2) (Hydroxy-dodecatrienoic acid) | 210.126025 | 480.00000 | NA | NA | NA | NA | 211.1338 | 209.11820 | iPOP_Exercise | Lipid | Fatty Acid, Monohydroxy | nRPLC |
RPLC_771 | C12:2,OH FA (Hydro-dodecadienoic acid) | 212.141625 | 606.00000 | NA | NA | NA | NA | 213.1495 | 211.13380 | iPOP_Exercise | Lipid | Fatty Acid, Monohydroxy | nRPLC |
RPLC_772 | C13:1 FA (Tridecenoic acid) | 212.178125 | 558.00000 | NA | NA | NA | NA | 213.1859 | 211.17030 | iPOP_Exercise | Lipid | Long Chain Fatty Acid | nRPLC |
RPLC_773 | C12:1, OH FA (Hydroxy-dodecenoic acid) | 214.157325 | 462.00000 | NA | NA | NA | NA | 215.1652 | 213.14950 | iPOP_Exercise | Lipid | Fatty Acid, Monohydroxy | nRPLC |
RPLC_774 | C13:0 FA (Tridecanoic acid) | 214.193625 | 576.00000 | 0 | HMDB00910 | C17076 | NA | 215.2014 | 213.18580 | iPOP_Exercise | Lipid | Long Chain Fatty Acid | nRPLC |
RPLC_775 | C11:0,DC FA (Undecanedioic acid) | 216.136325 | 414.00000 | 1852-04-6 | HMDB00888 | NA | NA | 217.1441 | 215.12850 | iPOP_Exercise | Lipid | Fatty Acid, Dicarboxylate | nRPLC |
RPLC_776 | C12:0,OH FA (Hydroxydodecanoic acid) | 216.172825 | 492.00000 | NA | HMDB00387 | NA | NA | 217.1807 | 215.16500 | iPOP_Exercise | Lipid | Fatty Acid, Monohydroxy | nRPLC |
RPLC_777 | C14:1 FA (Tetradecenoic acid) | 226.193525 | 576.00000 | NA | HMDB02000 | C08322 | NA | 227.2013 | 225.18570 | iPOP_Exercise | Lipid | Long Chain Fatty Acid | nRPLC |
RPLC_778 | C12:1,DC FA(2) (Traumatic acid) | 228.136425 | 426.00000 | 6402-36-4 | HMDB00933 | C16308 | NA | 229.1442 | 227.12860 | iPOP_Exercise | Lipid | Fatty Acid, Dicarboxylate | nRPLC |
RPLC_779 | C12:1,DC FA(1) (Traumatic acid) | 228.136525 | 408.00000 | 6402-36-4 | HMDB00933 | C16308 | NA | 229.1444 | 227.12870 | iPOP_Exercise | Lipid | Fatty Acid, Dicarboxylate | nRPLC |
RPLC_780 | C14:0 FA (Myristic acid) | 228.209225 | 600.00000 | 544-63-8 | HMDB00806 | C06424 | NA | 229.2171 | 227.20140 | iPOP_Exercise | Lipid | Long Chain Fatty Acid | nRPLC |
RPLC_781 | C12:0,DC FA(1) (Dodecanedicarboxylic acid) | 230.151925 | 438.00000 | NA | HMDB00623 | C02678 | NA | 231.1598 | 229.14410 | iPOP_Exercise | Lipid | Fatty Acid, Dicarboxylate | nRPLC |
RPLC_782 | C12:0,DC FA(2) (Dodecanedicarboxylic acid) | 230.151925 | 456.00000 | NA | HMDB00623 | C02678 | NA | 231.1598 | 229.14410 | iPOP_Exercise | Lipid | Fatty Acid, Dicarboxylate | nRPLC |
RPLC_783 | C15:3 FA (Pentadecatrienoic acid) | 236.177825 | 558.00000 | NA | NA | NA | NA | 237.1857 | 235.17000 | iPOP_Exercise | Lipid | Long Chain Fatty Acid | nRPLC |
RPLC_784 | C14:3,OH FA (Hydroxy-tetradecatrienoic acid) | 238.157125 | 528.00000 | 0 | 0 | 0 | NA | 239.1650 | 237.14930 | iPOP_Exercise | Lipid | Fatty Acid, Monohydroxy | nRPLC |
RPLC_785 | 3-carboxy-4-methyl-5-propyl-2-furanpropanoate (CMPF) | 240.099925 | 420.00000 | NA | HMDB61112 | NA | NA | 241.1078 | 239.09210 | iPOP_Exercise | Lipid | Fatty Acid, Dicarboxylate | nRPLC |
RPLC_786 | C14:2,OH FA (Hydroxy-tetradecadienoic acid) | 240.172725 | 498.00000 | NA | NA | NA | NA | 241.1806 | 239.16490 | iPOP_Exercise | Lipid | Fatty Acid, Monohydroxy | nRPLC |
RPLC_787 | C15:1 FA (Pentadecenoic acid) | 240.209125 | 600.00000 | NA | HMDB29765 | NA | NA | 241.2169 | 239.20130 | iPOP_Exercise | Lipid | Long Chain Fatty Acid | nRPLC |
RPLC_788 | C14:1,OH FA (Hydroxy-tetradecenoic acid) | 242.188425 | 528.00000 | NA | NA | NA | NA | 243.1962 | 241.18060 | iPOP_Exercise | Lipid | Fatty Acid, Monohydroxy | nRPLC |
RPLC_789 | C15:0 FA (Pentadecanoic acid) | 242.224825 | 618.00000 | 1002-84-2 | HMDB00826 | C16537 | NA | 243.2327 | 241.21700 | iPOP_Exercise | Lipid | Long Chain Fatty Acid | nRPLC |
RPLC_790 | C13:0,DC FA(1) (Tridecanedicarboxylic acid) | 244.167525 | 462.00000 | NA | HMDB02327 | NA | NA | 245.1754 | 243.15970 | iPOP_Exercise | Lipid | Fatty Acid, Dicarboxylate | nRPLC |
RPLC_791 | C13:0,DC FA(2) (Tridecanedicarboxylic acid) | 244.167525 | 480.00000 | NA | HMDB02327 | NA | NA | 245.1754 | 243.15970 | iPOP_Exercise | Lipid | Fatty Acid, Dicarboxylate | nRPLC |
RPLC_792 | C13:0,DC FA(3) (Tridecanedicarboxylic acid) | 244.167525 | 492.00000 | NA | HMDB02327 | NA | NA | 245.1754 | 243.15970 | iPOP_Exercise | Lipid | Fatty Acid, Dicarboxylate | nRPLC |
RPLC_793 | C14:0,OH FA (Hydroxy-myristic acid) | 244.203925 | 552.00000 | 2507-55-3 | HMDB02261 | NA | NA | 245.2117 | 243.19610 | iPOP_Exercise | Lipid | Fatty Acid, Monohydroxy | nRPLC |
RPLC_794 | C16:4 FA (Hexadecatetraenoic acid) | 248.177725 | 558.00000 | NA | NA | NA | NA | 249.1856 | 247.16990 | iPOP_Exercise | Lipid | Long Chain Fatty Acid | nRPLC |
RPLC_795 | C16:3 FA (Hexadecatrienoic acid) | 250.193425 | 576.00000 | NA | NA | NA | NA | 251.2012 | 249.18560 | iPOP_Exercise | Lipid | Long Chain Fatty Acid | nRPLC |
RPLC_796 | C16:2 FA (Hexadecadienoic acid) | 252.209025 | 588.00000 | NA | HMDB00477 | NA | NA | 253.2168 | 251.20120 | iPOP_Exercise | Lipid | Long Chain Fatty Acid | nRPLC |
RPLC_797 | C16:1 FA (Palmitoleic acid) | 254.224625 | 612.00000 | 373-49-9 | HMDB03229 | C08362 | NA | 255.2325 | 253.21680 | iPOP_Exercise | Lipid | Long Chain Fatty Acid | nRPLC |
RPLC_798 | C14:2,2OH FA (Dihydro-tetradecadienoic acid) | 256.167525 | 480.00000 | NA | NA | NA | NA | 257.1753 | 255.15970 | iPOP_Exercise | Lipid | Fatty Acid, Dihydroxy | nRPLC |
RPLC_799 | C16:0 FA (Palmitic acid) | 256.240225 | 636.00000 | 57-10-3 | HMDB00220 | C00249 | NA | 257.2480 | 255.23240 | iPOP_Exercise | Lipid | Long Chain Fatty Acid | nRPLC |
RPLC_800 | C14:0,DC FA(1) (Tetradecanedicarboxylic acid) | 258.183225 | 498.00000 | NA | HMDB00872 | NA | NA | 259.1911 | 257.17540 | iPOP_Exercise | Lipid | Fatty Acid, Dicarboxylate | nRPLC |
RPLC_801 | C14:0,DC FA(2) (Tetradecanedicarboxylic acid) | 258.183225 | 516.00000 | NA | HMDB00872 | NA | NA | 259.1911 | 257.17540 | iPOP_Exercise | Lipid | Fatty Acid, Dicarboxylate | nRPLC |
RPLC_802 | C15:0,OH FA (Hydroxy-pentadecanoic acid) | 258.219625 | 588.00000 | NA | NA | NA | NA | 259.2274 | 257.21180 | iPOP_Exercise | Lipid | Fatty Acid, Monohydroxy | nRPLC |
RPLC_803 | Lauryl sulfate | 266.155125 | 600.00000 | 0 | 0 | 0 | NA | 267.1630 | 265.14730 | iPOP_Exercise | Lipid | Long Chain Fatty Acid | nRPLC |
RPLC_804 | C16:2,OH FA (Hydroxy-hexadecadienoic acid) | 268.203825 | 540.00000 | NA | NA | NA | NA | 269.2117 | 267.19600 | iPOP_Exercise | Lipid | Fatty Acid, Monohydroxy | nRPLC |
RPLC_805 | C17:1 FA (Heptadecenoic acid) | 268.240225 | 630.00000 | NA | HMDB60038 | NA | NA | 269.2480 | 267.23240 | iPOP_Exercise | Lipid | Long Chain Fatty Acid | nRPLC |
RPLC_806 | C16:1,OH FA (Hydroxy-palmitoleic acid) | 270.219525 | 570.00000 | NA | NA | NA | NA | 271.2274 | 269.21170 | iPOP_Exercise | Lipid | Fatty Acid, Monohydroxy | nRPLC |
RPLC_807 | C17:0 FA (Heptadecanoic acid) | 270.255925 | 654.00000 | NA | HMDB02259 | NA | NA | 271.2638 | 269.24810 | iPOP_Exercise | Lipid | Long Chain Fatty Acid | nRPLC |
RPLC_808 | C16:0,OH FA(1) (Hydroxy-hexadecanoic acid) | 272.235125 | 576.00000 | NA | HMDB10734 | NA | NA | 273.2430 | 271.22730 | iPOP_Exercise | Lipid | Fatty Acid, Monohydroxy | nRPLC |
RPLC_809 | C16:0,OH FA(2) (Hydroxy-hexadecanoic acid) | 272.235225 | 606.00000 | NA | HMDB10734 | NA | NA | 273.2430 | 271.22740 | iPOP_Exercise | Lipid | Fatty Acid, Monohydroxy | nRPLC |
RPLC_810 | C18:4 FA (Octadecatetraenoic acid) | 276.208925 | 588.00000 | NA | HMDB06547 | C16300 | NA | 277.2167 | 275.20110 | iPOP_Exercise | Lipid | Polyunsaturated Fatty Acid (n3 and n6) | nRPLC |
RPLC_811 | C17:4,OH FA (Hydroxy-heptadecatetraenoic acid) | 278.188025 | 504.00000 | 0 | 0 | 0 | NA | 279.1959 | 277.18020 | iPOP_Exercise | Lipid | Fatty Acid, Monohydroxy | nRPLC |
RPLC_812 | C18:3 FA (Linolenic acid) | 278.224325 | 606.00000 | 463-40-1 | HMDB01388 | C06427 | NA | 279.2321 | 277.21650 | iPOP_Exercise | Lipid | Polyunsaturated Fatty Acid (n3 and n6) | nRPLC |
RPLC_813 | C17:3,OH FA (Hydroxy-septadecatrienoic acid) | 280.194325 | 504.00000 | 0 | 0 | 0 | NA | 281.2022 | 279.18650 | iPOP_Exercise | Lipid | Fatty Acid, Monohydroxy | nRPLC |
RPLC_814 | C16:0,DC FA (Hexadecanedicarboxylic acid) | 286.214325 | 564.00000 | NA | HMDB00672 | C19615 | NA | 287.2221 | 285.20650 | iPOP_Exercise | Lipid | Fatty Acid, Dicarboxylate | nRPLC |
RPLC_815 | C18:4,OH FA (Hydroxy-octadecatetraenoic acid) | 292.203925 | 558.00000 | 0 | 0 | 0 | NA | 293.2117 | 291.19610 | iPOP_Exercise | Lipid | Fatty Acid, Monohydroxy | nRPLC |
RPLC_816 | C18:3,OH FA (Hydroxylinolenic acid) | 294.219525 | 564.00000 | NA | HMDB11108 | NA | NA | 295.2274 | 293.21170 | iPOP_Exercise | Lipid | Fatty Acid, Monohydroxy | nRPLC |
RPLC_817 | 9-HODE(1) | 296.235025 | 564.00000 | NA | HMDB04702 | C14826 | NA | 297.2428 | 295.22720 | iPOP_Exercise | Lipid | Fatty Acid, Monohydroxy | nRPLC |
RPLC_818 | 9-HODE(2) | 296.235025 | 582.00000 | NA | HMDB04702 | C14826 | NA | 297.2428 | 295.22720 | iPOP_Exercise | Lipid | Fatty Acid, Monohydroxy | nRPLC |
RPLC_819 | C19:1 FA (Nonadecaenoic acid) | 296.271325 | 660.00000 | NA | HMDB13622 | C00174 | NA | 297.2792 | 295.26350 | iPOP_Exercise | Lipid | Long Chain Fatty Acid | nRPLC |
RPLC_820 | C18:1,OH FA(2) (Hydroxy-oleic acid) | 298.250625 | 606.00000 | NA | NA | NA | NA | 299.2584 | 297.24280 | iPOP_Exercise | Lipid | Fatty Acid, Monohydroxy | nRPLC |
RPLC_821 | C18:1,OH FA(1) (Hydroxy-oleic acid) | 298.250625 | 588.00000 | NA | NA | NA | NA | 299.2584 | 297.24280 | iPOP_Exercise | Lipid | Fatty Acid, Monohydroxy | nRPLC |
RPLC_822 | C19:0 FA(1) (Nonadecanoic acid) | 298.286925 | 660.00000 | NA | HMDB00772 | C16535 | NA | 299.2948 | 297.27910 | iPOP_Exercise | Lipid | Long Chain Fatty Acid | nRPLC |
RPLC_823 | C19:0 FA(2) (Nonadecanoic acid) | 298.287025 | 690.00000 | NA | HMDB00772 | C16535 | NA | 299.2948 | 297.27920 | iPOP_Exercise | Lipid | Long Chain Fatty Acid | nRPLC |
RPLC_824 | C20:6 FA (Retinoic acid) | 300.208825 | 576.00000 | NA | HMDB02369 | C15493 | NA | 301.2167 | 299.20100 | iPOP_Exercise | Lipid | Polyunsaturated Fatty Acid (n3 and n6) | nRPLC |
RPLC_825 | C18:0,OH FA (Hydroxy-octadecanoic acid) | 300.266225 | 600.00000 | NA | HMDB10737 | NA | NA | 301.2740 | 299.25840 | iPOP_Exercise | Lipid | Fatty Acid, Monohydroxy | nRPLC |
RPLC_826 | C20:5 FA (Eicosapentaenoic acid) | 302.224325 | 606.00000 | 10417-94-4 | HMDB01999 | C06428 | NA | 303.2321 | 301.21650 | iPOP_Exercise | Lipid | Polyunsaturated Fatty Acid (n3 and n6) | nRPLC |
RPLC_827 | C20:4 FA (Arachidonic acid) | 304.240025 | 624.00000 | 506-32-1 | HMDB01043 | C00219 | NA | 305.2479 | 303.23220 | iPOP_Exercise | Lipid | Polyunsaturated Fatty Acid (n3 and n6) | nRPLC |
RPLC_828 | C20:3 FA (Eicosatrienoic acid) | 306.255625 | 636.00000 | 1783-84-2 | HMDB02925 | C03242 | NA | 307.2634 | 305.24780 | iPOP_Exercise | Lipid | Polyunsaturated Fatty Acid (n3 and n6) | nRPLC |
RPLC_829 | C20:2 FA (Eicosadienoic acid) | 308.271525 | 654.00000 | 5598-38-9 | HMDB05060 | C16525 | NA | 309.2794 | 307.26370 | iPOP_Exercise | Lipid | Polyunsaturated Fatty Acid (n3 and n6) | nRPLC |
RPLC_830 | C18:2,DC FA (Octadecadienedicarboxylic acid) | 310.214425 | 558.00000 | NA | NA | NA | NA | 311.2222 | 309.20660 | iPOP_Exercise | Lipid | Fatty Acid, Dicarboxylate | nRPLC |
RPLC_831 | C20:1 FA (Eicosenoic acid) | 310.287125 | 672.00000 | 5561-99-9 | HMDB02231 | C16526 | NA | 311.2949 | 309.27930 | iPOP_Exercise | Lipid | Long Chain Fatty Acid | nRPLC |
RPLC_832 | C18:1,DC FA (Octadecenedicarboxylic acid) | 312.230125 | 576.00000 | NA | NA | NA | NA | 313.2380 | 311.22230 | iPOP_Exercise | Lipid | Fatty Acid, Dicarboxylate | nRPLC |
RPLC_833 | C20:0 FA (Arachidic acid) | 312.302725 | 678.00000 | NA | HMDB02212 | C06425 | NA | 313.3105 | 311.29490 | iPOP_Exercise | Lipid | Long Chain Fatty Acid | nRPLC |
RPLC_834 | C18:0,DC FA (Octadecanedicarboxylic acid) | 314.245625 | 606.00000 | NA | HMDB00782 | NA | NA | 315.2534 | 313.23780 | iPOP_Exercise | Lipid | Fatty Acid, Dicarboxylate | nRPLC |
RPLC_835 | C20:4,OH FA(2) (HETE) | 320.235025 | 582.00000 | NA | HMDB10222 | NA | NA | 321.2428 | 319.22720 | iPOP_Exercise | Lipid | Fatty Acid, Monohydroxy | nRPLC |
RPLC_836 | C20:4,OH FA(1) (HETE) | 320.235125 | 570.00000 | NA | HMDB10222 | NA | NA | 321.2430 | 319.22730 | iPOP_Exercise | Lipid | Fatty Acid, Monohydroxy | nRPLC |
RPLC_837 | C20:3,OH FA (Hydroxy-eicosatrienoic acid) | 322.250725 | 600.00000 | 13-16-1 | HMDB05045 | NA | NA | 323.2586 | 321.24290 | iPOP_Exercise | Lipid | Fatty Acid, Monohydroxy | nRPLC |
RPLC_838 | C20:2,OH FA (Hydroxy-eicosadienoic acid) | 324.266325 | 618.00000 | NA | NA | NA | NA | 325.2742 | 323.25850 | iPOP_Exercise | Lipid | Fatty Acid, Monohydroxy | nRPLC |
RPLC_839 | C22:6 FA (Docosahexaenoic acid) | 328.240025 | 624.00000 | 6217-54-5 | HMDB02183 | C06429 | NA | 329.2479 | 327.23220 | iPOP_Exercise | Lipid | Polyunsaturated Fatty Acid (n3 and n6) | nRPLC |
RPLC_840 | C18:1,3OH FA (Trihydroxy-octadecenoic acid) | 330.240525 | 462.00000 | 29907-57-1 | HMDB04710 | C14835 | NA | 331.2484 | 329.23270 | iPOP_Exercise | Lipid | Fatty Acid, Trihydroxy | nRPLC |
RPLC_841 | C22:5 FA (Docosapentaenoic acid) | 330.255725 | 636.00000 | 24880-45-3 | HMDB06528 | C16513 | NA | 331.2636 | 329.24790 | iPOP_Exercise | Lipid | Polyunsaturated Fatty Acid (n3 and n6) | nRPLC |
RPLC_842 | Hydroxyprogesterone | 332.198625 | 414.00000 | 0 | HMDB04031 | C05498 | NA | 333.2065 | 331.19080 | iPOP_Exercise | Lipid | Progestin Steroids | nRPLC |
RPLC_843 | C22:4 FA (Adrenic acid) | 332.271425 | 648.00000 | NA | HMDB02226 | C16527 | NA | 333.2792 | 331.26360 | iPOP_Exercise | Lipid | Polyunsaturated Fatty Acid (n3 and n6) | nRPLC |
RPLC_844 | C20:4,DC FA | 334.214325 | 444.00000 | NA | NA | NA | NA | 335.2221 | 333.20650 | iPOP_Exercise | Lipid | Fatty Acid, Dicarboxylate | nRPLC |
RPLC_845 | C22:3 FA (Docosatrienoic acid) | 334.286925 | 666.00000 | 28845-86-5 | HMDB02823 | NA | NA | 335.2948 | 333.27910 | iPOP_Exercise | Lipid | Polyunsaturated Fatty Acid (n3 and n6) | nRPLC |
RPLC_846 | C22:2 FA (Docosadienoic acid) | 336.302825 | 690.00000 | NA | HMDB61714 | NA | NA | 337.3107 | 335.29500 | iPOP_Exercise | Lipid | Polyunsaturated Fatty Acid (n3 and n6) | nRPLC |
RPLC_847 | C22:1 FA (Catelaidic acid) | 338.318425 | 720.00000 | 1002-96-6 | HMDB02884 | NA | NA | 339.3263 | 337.31060 | iPOP_Exercise | Lipid | Long Chain Fatty Acid | nRPLC |
RPLC_848 | C22:6,OH FA (Hydroxy-docosahexaenoic acid) | 344.235025 | 576.00000 | 90780-52-2 | HMDB10213 | NA | NA | 345.2428 | 343.22720 | iPOP_Exercise | Lipid | Fatty Acid, Monohydroxy | nRPLC |
RPLC_849 | C20:0,2OH FA (Dihydroxy-eicosanoic acid) | 344.292525 | 582.00000 | 120727-26-6 | HMDB31923 | NA | NA | 345.3003 | 343.28470 | iPOP_Exercise | Lipid | Fatty Acid, Dihydroxy | nRPLC |
RPLC_850 | Corticosterone | 346.214225 | 570.00000 | 50-22-6 | HMDB01547 | C02140 | NA | 347.2221 | 345.20640 | iPOP_Exercise | Lipid | Corticosteroids | nRPLC |
RPLC_851 | C22:5,OH FA (Hydroxy-docosapentaenoic acid) | 346.250625 | 600.00000 | 0 | 0 | 0 | NA | 347.2584 | 345.24280 | iPOP_Exercise | Lipid | Fatty Acid, Monohydroxy | nRPLC |
RPLC_852 | C24:6 FA (Tetracosahexaenoic acid) | 356.271625 | 648.00000 | 81247-23-6 | HMDB02007 | NA | NA | 357.2794 | 355.26380 | iPOP_Exercise | Lipid | Polyunsaturated Fatty Acid (n3 and n6) | nRPLC |
RPLC_853 | C24:5 FA (Tetracosapentaenoic acid) | 358.287025 | 660.00000 | NA | HMDB06322 | NA | NA | 359.2948 | 357.27920 | iPOP_Exercise | Lipid | Polyunsaturated Fatty Acid (n3 and n6) | nRPLC |
RPLC_854 | C24:4 FA (Tetracosatetraenoic acid) | 360.302725 | 678.00000 | NA | HMDB06246 | NA | NA | 361.3105 | 359.29490 | iPOP_Exercise | Lipid | Polyunsaturated Fatty Acid (n3 and n6) | nRPLC |
RPLC_855 | C22:4,2OH FA (Dihydro-docosatetraenoic acid) | 364.261225 | 600.00000 | 0 | 0 | 0 | NA | 365.2690 | 363.25340 | iPOP_Exercise | Lipid | Fatty Acid, Dihydroxy | nRPLC |
RPLC_856 | C24:1 FA (Nervonic acid) | 366.349425 | 792.00000 | 506-37-6 | HMDB02368 | C08323 | NA | 367.3573 | 365.34160 | iPOP_Exercise | Lipid | Long Chain Fatty Acid | nRPLC |
RPLC_857 | Dehydroisoandrosterone sulfate (DHEA-S)(2) | 368.165425 | 504.00000 | NA | HMDB01032 | C04555 | NA | 369.1732 | 367.15760 | iPOP_Exercise | Lipid | Androgenic Steroids | nRPLC |
RPLC_858 | Androsterone sulfate | 370.180925 | 540.00000 | 2479-86-9 | HMDB02759 | NA | NA | 371.1888 | 369.17310 | iPOP_Exercise | Lipid | Androgenic Steroids | nRPLC |
RPLC_859 | 5alpha-Androstan-3alpha,17alpha-diol monosulfate | 372.195825 | 558.00000 | NA | NA | NA | NA | 373.2036 | 371.18800 | iPOP_Exercise | Lipid | Androgenic Steroids | nRPLC |
RPLC_860 | 16a-hydroxy DHEA 3-sulfate | 384.160425 | 438.00000 | NA | NA | NA | NA | 385.1683 | 383.15260 | iPOP_Exercise | Lipid | Androgenic Steroids | nRPLC |
RPLC_861 | Chenodeoxycholic Acid(2) | 392.292525 | 576.00000 | NA | HMDB0000518 | NA | NA | 393.3003 | 391.28470 | iPOP_Exercise | Lipid | Primary Bile Acid Metabolism | nRPLC |
RPLC_862 | Chenodeoxycholic Acid(1) | 392.292625 | 558.00000 | NA | HMDB0000518 | NA | NA | 393.3005 | 391.28480 | iPOP_Exercise | Lipid | Primary Bile Acid Metabolism | nRPLC |
RPLC_863 | C24:3,2OH (Dihydroxy-Tetracosatrienoic acid) | 394.308125 | 630.00000 | NA | NA | NA | NA | 395.3159 | 393.30030 | iPOP_Exercise | Lipid | Fatty Acid, Dihydroxy | nRPLC |
RPLC_864 | Pregnenolone sulfate | 396.196725 | 570.00000 | 1247-64-9 | HMDB00774 | NA | NA | 397.2045 | 395.18890 | iPOP_Exercise | Lipid | Progestin Steroids | nRPLC |
RPLC_865 | Pregnanolone sulfate | 398.212525 | 558.00000 | NA | NA | NA | NA | 399.2203 | 397.20470 | iPOP_Exercise | Lipid | Progestin Steroids | nRPLC |
RPLC_866 | C25:0,OH FA (Hydroxy-pentacosanoic acid) | 398.375625 | 678.00000 | NA | NA | NA | NA | 399.3834 | 397.36780 | iPOP_Exercise | Lipid | Fatty Acid, Monohydroxy | nRPLC |
RPLC_867 | 5alpha-pregnan-3beta,20beta-diol monosulfate (1) | 400.228125 | 576.00000 | 0 | 0 | 0 | NA | 401.2360 | 399.22030 | iPOP_Exercise | Lipid | Progestin Steroids | nRPLC |
RPLC_868 | Cholic Acid | 408.287225 | 540.00000 | NA | HMDB0000619 | NA | NA | 409.2951 | 407.27940 | iPOP_Exercise | Lipid | Primary Bile Acid Metabolism | nRPLC |
RPLC_869 | 7-alpha-hydroxy-3-oxo-4-cholestenoate (7-Hoca) | 430.307725 | 612.00000 | NA | HMDB12458 | C17337 | NA | 431.3155 | 429.29990 | iPOP_Exercise | Lipid | Sterol | nRPLC |
RPLC_870 | LysoPE(15:0) | 439.269525 | 528.00000 | NA | HMDB11472 | NA | NA | 440.2774 | 438.26170 | iPOP_Exercise | Lipid | Phospholipid Metabolism | nRPLC |
RPLC_871 | Chenodeoxycholic acid glycine conjugate | 449.313825 | 552.00000 | 640-79-9 | HMDB00637 | C05466 | NA | 450.3216 | 448.30600 | iPOP_Exercise | Lipid | Primary Bile Acid Metabolism | nRPLC |
RPLC_872 | Sulfolithocholic acid | 456.253925 | 648.00000 | 34669-57-3 | HMDB00907 | NA | NA | 457.2618 | 455.24610 | iPOP_Exercise | Lipid | Secondary Bile Acid Metabolism | nRPLC |
RPLC_873 | Glycocholic acid | 465.308425 | 516.00000 | 475-31-0 | HMDB00138 | C01921 | NA | 466.3163 | 464.30060 | iPOP_Exercise | Lipid | Primary Bile Acid Metabolism | nRPLC |
RPLC_874 | Androsterone glucuronide(1) | 466.256025 | 480.00000 | 1852-43-3 | HMDB02829 | C11135 | NA | 467.2638 | 465.24820 | iPOP_Exercise | Lipid | Androgenic Steroids | nRPLC |
RPLC_875 | Androsterone glucuronide(2) | 466.256125 | 498.00000 | 1852-43-3 | HMDB02829 | C11135 | NA | 467.2640 | 465.24830 | iPOP_Exercise | Lipid | Androgenic Steroids | nRPLC |
RPLC_876 | 5alpha-Androstan-3alpha,17beta-diol 17-glucuronide(1) | 468.271525 | 486.00000 | NA | NA | NA | NA | 469.2794 | 467.26370 | iPOP_Exercise | Lipid | Androgenic Steroids | nRPLC |
RPLC_877 | 5alpha-Androstan-3alpha,17beta-diol 17-glucuronide(2) | 468.271825 | 516.00000 | NA | NA | NA | NA | 469.2797 | 467.26400 | iPOP_Exercise | Lipid | Androgenic Steroids | nRPLC |
RPLC_878 | Chenodeoxycholic acid 3-sulfate(2) | 472.249125 | 600.00000 | 59132-32-0 | HMDB02586 | NA | NA | 473.2570 | 471.24130 | iPOP_Exercise | Lipid | Secondary Bile Acid Metabolism | nRPLC |
RPLC_879 | Chenodeoxycholic acid 3-sulfate(1) | 472.249325 | 558.00000 | 59132-32-0 | HMDB02586 | NA | NA | 473.2572 | 471.24150 | iPOP_Exercise | Lipid | Secondary Bile Acid Metabolism | nRPLC |
RPLC_880 | 11-beta-Hydroxyandrosterone-3-glucuronide | 482.251125 | 408.00000 | NA | HMDB10351 | NA | NA | 483.2590 | 481.24330 | iPOP_Exercise | Lipid | Androgenic Steroids | nRPLC |
RPLC_881 | Pregnanediol-3-glucuronide | 496.303125 | 534.00000 | NA | HMDB10318 | C03033 | NA | 497.3109 | 495.29530 | iPOP_Exercise | Lipid | Progestin Steroids | nRPLC |
RPLC_882 | Tauroursodeoxycholic acid | 499.296225 | 600.00000 | 14605-22-2 | HMDB00874 | NA | NA | 500.3041 | 498.28840 | iPOP_Exercise | Lipid | Secondary Bile Acid Metabolism | nRPLC |
RPLC_883 | LysoPE(20:2) | 505.316625 | 582.00000 | NA | HMDB11483 | NA | NA | 506.3245 | 504.30880 | iPOP_Exercise | Lipid | Phospholipid Metabolism | nRPLC |
RPLC_884 | LysoPE(20:1) | 507.331925 | 606.00000 | NA | HMDB11482 | NA | NA | 508.3397 | 506.32410 | iPOP_Exercise | Lipid | Phospholipid Metabolism | nRPLC |
RPLC_885 | LysoPE(20:0) | 509.347425 | 630.00000 | NA | HMDB11481 | NA | NA | 510.3553 | 508.33960 | iPOP_Exercise | Lipid | Phospholipid Metabolism | nRPLC |
RPLC_886 | LysoPG(18:0) | 512.310625 | 612.00000 | NA | NA | NA | NA | 513.3184 | 511.30280 | iPOP_Exercise | Lipid | Phospholipid Metabolism | nRPLC |
RPLC_887 | Taurocholic acid | 515.291225 | 558.00000 | 81-24-3 | HMDB00036 | C05122 | NA | 516.2990 | 514.28340 | iPOP_Exercise | Lipid | Primary Bile Acid Metabolism | nRPLC |
RPLC_888 | LysoPE(22:5) | 527.300925 | 588.00000 | NA | HMDB11494 | NA | NA | 528.3088 | 526.29310 | iPOP_Exercise | Lipid | Phospholipid Metabolism | nRPLC |
RPLC_889 | LysoPE(22:4) | 529.316025 | 582.00000 | NA | HMDB11493 | NA | NA | 530.3238 | 528.30820 | iPOP_Exercise | Lipid | Phospholipid Metabolism | nRPLC |
RPLC_890 | Tetrahydroaldosterone-3-glucuronide | 540.256425 | 408.00000 | 20605-81-6 | HMDB10357 | NA | NA | 541.2642 | 539.24860 | iPOP_Exercise | Lipid | Androgenic Steroids | nRPLC |
RPLC_891 | Tetrahydrocortisol glucuronide(1) | 542.272325 | 396.00000 | NA | NA | NA | NA | 543.2802 | 541.26450 | iPOP_Exercise | Lipid | Corticosteroids | nRPLC |
RPLC_892 | Tetrahydrocortisol glucuronide(2) | 542.272325 | 426.00000 | NA | NA | NA | NA | 543.2802 | 541.26450 | iPOP_Exercise | Lipid | Corticosteroids | nRPLC |
RPLC_893 | Cholesterol glucuronide | 562.386425 | 720.00000 | 17435-78-8 | HMDB10330 | C03033 | NA | 563.3943 | 561.37860 | iPOP_Exercise | Lipid | Sterol | nRPLC |
RPLC_894 | Deoxycholic acid 3-glucuronide(3) | 568.324325 | 564.00000 | 72504-58-6 | HMDB02596 | C03033 | NA | 569.3321 | 567.31650 | iPOP_Exercise | Lipid | Secondary Bile Acid Metabolism | nRPLC |
RPLC_895 | Deoxycholic acid 3-glucuronide(1) | 568.324425 | 522.00000 | 72504-58-6 | HMDB02596 | C03033 | NA | 569.3323 | 567.31660 | iPOP_Exercise | Lipid | Secondary Bile Acid Metabolism | nRPLC |
RPLC_896 | Deoxycholic acid 3-glucuronide(2) | 568.324425 | 540.00000 | 72504-58-6 | HMDB02596 | C03033 | NA | 569.3323 | 567.31660 | iPOP_Exercise | Lipid | Secondary Bile Acid Metabolism | nRPLC |
RPLC_897 | LysoPI(18:1) | 598.311225 | 678.00000 | NA | HMDB61693 | NA | NA | 599.3190 | 597.30340 | iPOP_Exercise | Lipid | Phospholipid Metabolism | nRPLC |
RPLC_898 | LysoPI(18:0) | 600.327025 | 720.00000 | 0 | HMDB0240261 | 0 | NA | 601.3348 | 599.31920 | iPOP_Exercise | Lipid | Phospholipid Metabolism | nRPLC |
RPLC_899 | LysoPI(20:4) | 620.295525 | 648.00000 | NA | HMDB61690 | NA | NA | 621.3034 | 619.28770 | iPOP_Exercise | Lipid | Phospholipid Metabolism | nRPLC |
RPLC_900 | C14:2 FA (Tetradecadienoic acid) | 224.177925 | 552.00000 | NA | HMDB00560 | NA | NA | 225.1858 | 223.17010 | iPOP_Exercise | Lipid | Long Chain Fatty Acid | nRPLC |
RPLC_901 | Ketodeoxycholic acid(1) | 390.276925 | 552.00000 | 5130-29-0 | HMDB00328 | NA | NA | 391.2847 | 389.26910 | iPOP_Exercise | Lipid | Secondary Bile Acid Metabolism | nRPLC |
RPLC_902 | Ketodeoxycholic acid(2) | 390.276925 | 564.00000 | 5130-29-0 | HMDB00328 | NA | NA | 391.2847 | 389.26910 | iPOP_Exercise | Lipid | Secondary Bile Acid Metabolism | nRPLC |
RPLC_903 | Ketodeoxycholic acid(3) | 390.277225 | 612.00000 | 5130-29-0 | HMDB00328 | NA | NA | 391.2851 | 389.26940 | iPOP_Exercise | Lipid | Secondary Bile Acid Metabolism | nRPLC |
RPLC_904 | N6-Carbamoyl-L-threonyladenosine | 412.133825 | 204.00000 | NA | HMDB41623 | NA | NA | 413.1417 | 411.12600 | iPOP_Exercise | Nucleotide | Purine Metabolism, Adenine containing | nRPLC |
RPLC_905 | gamma-glutamylhistidine | 284.115825 | 636.00000 | NA | HMDB29151 | NA | NA | 285.1236 | 283.10800 | iPOP_Exercise | Peptide | Gamma-glutamyl Amino Acid | nRPLC |
RPLC_906 | 3-Phenylpropionate (hydrocinnamate) | 150.068625 | 264.00000 | NA | HMDB00764 | C05629 | NA | 151.0764 | 149.06080 | iPOP_Exercise | Xenobiotics | Benzoate Metabolism | nRPLC |
RPLC_907 | Dihydroxybenzoic acid | 154.027125 | 108.00000 | 303-07-1 | HMDB13676 | NA | NA | 155.0350 | 153.01930 | iPOP_Exercise | Xenobiotics | Benzoate Metabolism | nRPLC |
RPLC_908 | Phenylbutyric acid | 164.084325 | 432.00000 | 90-27-7 | HMDB00329 | NA | NA | 165.0922 | 163.07650 | iPOP_Exercise | Xenobiotics | Benzoate Metabolism | nRPLC |
RPLC_909 | 1-Methylxanthine | 166.049525 | 102.00000 | NA | HMDB10738 | C16358 | NA | 167.0574 | 165.04170 | iPOP_Exercise | Xenobiotics | Xanthine Metabolism | nRPLC |
RPLC_910 | Dihydro-3-coumaric acid | 166.063425 | 180.00000 | NA | HMDB00375 | C11457 | NA | 167.0712 | 165.05560 | iPOP_Exercise | Xenobiotics | Benzoate Metabolism | nRPLC |
RPLC_911 | Catechol sulfate | 189.993925 | 36.00000 | NA | HMDB59724 | NA | NA | 191.0017 | 188.98610 | iPOP_Exercise | Xenobiotics | Benzoate Metabolism | nRPLC |
RPLC_912 | Hydroxyhippurate | 195.053425 | 168.00000 | 487-54-7 | HMDB00840 | C07588 | NA | 196.0613 | 194.04560 | iPOP_Exercise | Xenobiotics | Benzoate Metabolism | nRPLC |
RPLC_913 | 4-methylcatechol sulfate | 204.009625 | 90.00000 | NA | NA | NA | NA | 205.0174 | 203.00180 | iPOP_Exercise | Xenobiotics | Benzoate Metabolism | nRPLC |
RPLC_914 | Cinnamoylglycine | 205.074125 | 246.00000 | 16534-24-0 | HMDB11621 | NA | NA | 206.0820 | 204.06630 | iPOP_Exercise | Xenobiotics | Food Component/Plant | nRPLC |
RPLC_915 | Naproxen | 230.094325 | 420.00000 | 22204-53-1 | HMDB01923 | C01517 | NA | 231.1021 | 229.08650 | iPOP_Exercise | Xenobiotics | Drug | nRPLC |
RPLC_916 | Methyl-4-hydroxybenzoate sulfate | 232.004325 | 228.00000 | NA | NA | NA | NA | 233.0121 | 230.99650 | iPOP_Exercise | Xenobiotics | Benzoate Metabolism | nRPLC |
RPLC_917 | Eugenol sulfate | 244.040525 | 294.00000 | NA | NA | NA | NA | 245.0483 | 243.03270 | iPOP_Exercise | Xenobiotics | Food Component/Plant | nRPLC |
- database.info: The information of the database.
snyder_database_rplc0.0.3@database.info
#> $Version
#> [1] "0.0.2"
#>
#> $Source
#> [1] "MS"
#>
#> $Link
#> [1] "http://snyderlab.stanford.edu/"
#>
#> $Creater
#> [1] "Xiaotao Shen"
#>
#> $Email
#> [1] "shenxt1990@163.com"
#>
#> $RT
#> [1] TRUE
- spectra.data: The spectra of the metabolites in database.
names(snyder_database_rplc0.0.3@spectra.data)
#> [1] "Spectra.positive" "Spectra.negative"
head(names(snyder_database_rplc0.0.3@spectra.data$Spectra.positive))
#> [1] "RPLC_1" "RPLC_4" "RPLC_5" "RPLC_6" "RPLC_8" "RPLC_11"
One metabolite may contains multiple spectra.
snyder_database_rplc0.0.3@spectra.data$Spectra.positive$RPLC_1$NCE25
#> mz intensity
#> 1 75.39029 2039.701
#> 2 94.02876 114757.586
#> 3 94.03993 3595.191
#> 4 95.02399 36360.066
#> 5 98.20596 1916.709
#> 6 112.03533 4580.538
#> 7 112.03936 145708.062
#> 8 112.05051 453812.188
#> 9 112.07562 4863.364
#> 10 113.03457 15553.875
#> 11 119.66673 1851.687
#> 12 121.27402 1928.461
#> 13 122.42378 1972.688
You can use the function from masstools to visualize the ms2 spectra.
if(!require(masstools)){
remotes::install_gitlab("tidymass/masstools")
}
library(masstools)
ms2_plot(
snyder_database_rplc0.0.3@spectra.data$Spectra.positive$RPLC_1$NCE25
)

Extract spectra from database
ms2 <-
get_ms2_spectrum(lab.id = "RPLC_1",
database = snyder_database_rplc0.0.3,
polarity = "positive",
ce = "NCE25"
)
ms2
#> mz intensity
#> 1 75.39029 2039.701
#> 2 94.02876 114757.586
#> 3 94.03993 3595.191
#> 4 95.02399 36360.066
#> 5 98.20596 1916.709
#> 6 112.03533 4580.538
#> 7 112.03936 145708.062
#> 8 112.05051 453812.188
#> 9 112.07562 4863.364
#> 10 113.03457 15553.875
#> 11 119.66673 1851.687
#> 12 121.27402 1928.461
#> 13 122.42378 1972.688
ms2_plot(ms2)

Convert databaseClass
to other database format
MassBank
, MoNA
and some other public databases provide msp
format database of metabolites. So you can use the functions in metid
to output metid
format database to msp
format which can be used for GNPS
, MassBank
and MoNA
.
MassBank
msp
format
Just use the write_msp_massbank()
function to output metid
database to msp
format for MassBank.
library(metid)
write_msp_massbank(databasae = databasae, path = ".")
The arguments of write_msp_massbank()
can be found using ?write_msp_massbank()
.
mgf
format
Just use the write_mgf_massbank()
function to output metid
database to mgf
format for MassBank.
library(metid)
write_mgf_massbank(databasae = databasae, path = ".")
The arguments of write_msp_massbank()
can be found using ?write_msp_massbank()
.
MoNA
msp
format
Just use the write_msp_mona()
function to output metid
database to msp
format for mona.
library(metid)
write_msp_mona(databasae = databasae, path = ".")
The arguments of write_msp_mona()
can be found using ?write_msp_mona()
.
mgf
format
Just use the write_mgf_mona()
function to output metid
database to mgf
format for mona.
library(metid)
write_mgf_mona(databasae = databasae, path = ".")
The arguments of write_msp_mona()
can be found using ?write_msp_mona()
.
GNPS
msp
format
Just use the write_msp_gnps()
function to output metid
database to msp
format for gnps.
library(metid)
write_msp_gnps(databasae = databasae, path = ".")
The arguments of write_msp_gnps()
can be found using ?write_msp_gnps()
.
mgf
format
Just use the write_mgf_gnps()
function to output metid
database to mgf
format for gnps.
library(metid)
write_mgf_gnps(databasae = databasae, path = ".")
The arguments of write_msp_gnps()
can be found using ?write_msp_gnps()
.
Session information
sessionInfo()
#> R version 4.4.1 (2024-06-14)
#> Platform: aarch64-apple-darwin20
#> Running under: macOS 15.0
#>
#> Matrix products: default
#> BLAS: /Library/Frameworks/R.framework/Versions/4.4-arm64/Resources/lib/libRblas.0.dylib
#> LAPACK: /Library/Frameworks/R.framework/Versions/4.4-arm64/Resources/lib/libRlapack.dylib; LAPACK version 3.12.0
#>
#> 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: Asia/Singapore
#> tzcode source: internal
#>
#> attached base packages:
#> [1] stats4 stats graphics grDevices utils datasets methods
#> [8] base
#>
#> other attached packages:
#> [1] kableExtra_1.4.0 MSnbase_2.30.1 ProtGenerics_1.36.0
#> [4] S4Vectors_0.42.1 mzR_2.38.0 Rcpp_1.0.13
#> [7] Biobase_2.64.0 BiocGenerics_0.50.0 ggplot2_3.5.1
#> [10] massdataset_1.0.34 dplyr_1.1.4 magrittr_2.0.3
#> [13] masstools_1.0.13 metid_1.2.33
#>
#> loaded via a namespace (and not attached):
#> [1] RColorBrewer_1.1-3 rstudioapi_0.16.0
#> [3] jsonlite_1.8.8 shape_1.4.6.1
#> [5] MultiAssayExperiment_1.30.3 farver_2.1.2
#> [7] MALDIquant_1.22.3 rmarkdown_2.28
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