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Return to study ST002107 main page
Analysis: HILIC POSITIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
Asp/His/Met/Pro/Arg
-
ME513097
-
-
10.02039631
-
Ala/Ala/Ala/Pro
-
ME513012
-
-
10.02166072
-
Ala/Ala/Ala
Ala-Ala-Ala
ME513011
-
-
10.17185388
-
Slaframine
Slaframine
ME513416
-
C06185
10.18419314
-
Hypoxanthine
Hypoxanthine
ME513241
-
C00262
10.20061206
-
1-Deoxy-D-glucitol
1-Deoxy-D-glucitol
ME512947
-
-
10.21863047
-
Phenylalanine
Phenylalanine
ME513381
-
C02265_C00079
10.22394927
-
Apiitol
Apiitol
ME513070
-
C01569
10.25566513
-
Leucylproline
Leu-Pro
ME513268
-
-
10.27965452
-
15(R)-hydroperoxy-EPE
-
ME512945
-
-
10.34444381
-
Cys/Gly/Trp/Trp/Trp
-
ME513153
-
-
10.3728454
-
xi-4,5-Dihydro-2,4(5)-dimethyl-1H-imidazole
-
ME513459
-
-
10.38063428
-
Magnoflorine
-
ME513288
-
C09581
10.38221481
-
2-Hydroxy-desipramine glucuronide
-
ME512963
-
-
10.45485636
-
Ponatinib
-
ME513390
-
-
10.45571467
-
Ala/Asp/Met/Pro/Thr
-
ME513026
-
-
10.52109693
-
5-Methylcytidine
5-Methylcytidine
ME512986
-
-
10.57013927
-
Cys/Gly/Pro
Cys-Gly-Pro
ME513152
-
-
10.57164346
-
Glu/Met/Thr/Thr
-
ME513212
-
-
10.57323928
-
Asparaginyl-Tyrosine
Asn-Tyr
ME513114
-
-
10.63951362
-
Phe/Asp/His
Phe-Asp-His
ME513377
-
-
10.68001234
-
Glu/Phe/Ala/Pro
-
ME513213
-
-
10.70042233
-
Proline betaine
Proline betaine
ME513394
-
C10172
10.70413325
-
hydroxyisovaleroyl carnitine
CAR 4:0;OH,Me
ME513239
-
-
10.72395882
-
N-(1-Deoxy-1-fructosyl)threonine
-
ME513301
-
-
10.74150397
-
Glu/Ala/Val
Glu-Ala-Val
ME513198
-
-
10.7473574
-
Ala/Ala/Asp/Tyr
-
ME513018
-
-
10.76487941
-
Asn/Gly/Pro/Pro
-
ME513084
-
-
10.78397313
-
Inosine
Inosine
ME513254
-
C00294
10.91045891
-
Piperidine
Piperidine
ME513388
-
C01746
10.91197164
-
Asn/Leu/Pro/Pro
-
ME513087
-
-
10.91507224
-
3-[4-amino-3-hydroxybutyl]-hydroxy-carbamoyl-propa...
-
ME512969
-
-
10.91998333
-
Ile/Cys/Gly
Ile-Cys-Gly
ME513247
-
-
10.98645545
-
N5-acetyl-N5-hydroxy-L-ornithine
2,6-Diaminopimelic acid
ME513315
-
-
11.00208842
-
Ala/Phe/Ala/Arg
-
ME513054
-
-
11.01721275
-
Leucine
Leucine
ME513267
-
C01570_C00123_C16439
11.043203
-
Acetylcarnitine
CAR 2:0
ME512999
-
C02571
11.05615914
-
gamma-Glutamylisoleucine
gamma-Glutamylisoleucine
ME513187
-
-
11.09455923
-
Asp/Phe/Pro/His
-
ME513105
-
-
11.11660198
-
Acetylhomoserine
-
ME513000
-
C01077_C05700
11.22555154
-
cyclic dehypoxanthinylfutalosine
-
ME513147
-
-
11.28379768
-
adenosine-N-oxide
-
ME513005
-
-
11.29200092
-
gamma-Glutamyl-gamma-aminobutyraldehyde
gamma-Glutamyl-gamma-aminobutyraldehyde
ME513186
-
C15700
11.29535658
-
Alanyl-Proline
Ala-Pro
ME513065
-
-
11.3042186
-
5-Aminopentanoic acid
5-Aminopentanoic acid
ME512984
-
C00431
11.35201374
-
Ile/Trp/Trp/Trp/Trp
-
ME513253
-
-
11.35994873
-
2-amino-2-deoxy-D-mannitol
-
ME512958
-
-
11.36704999
-
gamma-L-Glutamyl-L-pipecolic acid
-
ME513190
-
-
11.37064608
-
Glu/Arg/Tyr
Glu-Arg-Tyr
ME513200
-
-
11.3805706
-
3-Methyl-2-oxovaleric acid
3-Methyl-2-oxovaleric acid
ME512975
-
C03465_C00671_C06008
11.38361244
-
Isoleucine
Isoleucine
ME513255
-
C06418_C00407
11.38372202
-
Alanyl-Serine
Ala-Ser
ME513066
-
-
11.44002949
-
Ile/His/Pro
Ile-His-Pro
ME513250
-
-
11.47190396
-
Ala/His/Ile/Ile/Gln
-
ME513039
-
-
11.47281375
-
Asn/Leu/Asp/His
-
ME513085
-
-
11.49759681
-
Bretylium
Bretylium
ME513127
-
C06855
11.54782134
-
Methionine
Methionine
ME513294
-
C01733_C00855_C00073
11.57130845
-
Tryptophan
Tryptophan
ME513450
-
C00806_C00078_C00525
11.62663145
-
Dap
Diallyl phthalate
ME513161
-
-
11.69183039
-
4-O--D-glucosyl-indol-3-yl formamide
-
ME512980
-
-
11.70267716
-
Glu/Glu/Glu/Lys/Trp
-
ME513204
-
-
11.72295
-
Ala/Ala/Ser
Ala-Ala-Ser
ME513021
-
-
11.73113234
-
6-(L-Erythro-1,2-Dihydroxypropyl)-5,6,7,8-tetrahyd...
-
ME512989
-
C06486_C15522
11.74546856
-
Phenylalanyl-Arginine
Phe-Arg
ME513382
-
-
11.74606775
-
8-Amino-7-oxononanoate
8-Amino-7-oxononanoic acid
ME512995
-
C01092
11.78314473
-
N-Acetylleucine
N-Acetylleucine
ME513325
-
C02710
11.83560828
-
glycerophosphoserine
sn-Glycero-3-phosphoserine
ME513228
-
-
11.83760618
-
Lysyl-Phenylalanine
Lys-Phe
ME513282
-
-
11.87051092
-
Ovalitenin A
-
ME513340
-
-
11.9118611
-
Prolyl-Histidine
Pro-His
ME513396
-
-
11.93272651
-
Cytidine
Cytidine
ME513159
-
C00475_C02961
11.93356939
-
N-Acetyl-D-glucosamine
N-Acetylglucosamine
ME513322
-
C00140
11.95401898
-
N-acetyl-L-2-aminoadipate(2-)
N-Acetyl-2-aminoadipic acid
ME513323
-
C12986
11.96072277
-
N-a-Acetylcitrulline
N-Acetylcitrulline
ME513320
-
C15532
12.03169917
-
Asp/Phe/Gln/Pro
-
ME513102
-
-
12.03453799
-
Arg/Leu/Lys/Asp
-
ME513073
-
-
12.04687452
-
3-deoxy-D-galactose
3-Deoxygalactose
ME512971
-
-
12.0635194
-
Brugine
Brugine
ME513128
-
C10849
12.09872589
-
Ala/Asn/Pro
Ala-Asn-Pro
ME513023
-
-
12.1597292
-
Ala/Val/Asp/Pro
-
ME513060
-
-
12.18605389
-
Asp/His/Pro/Ser/Thr
-
ME513098
-
-
12.19429597
-
Ala/Pro/Ser/Ser
-
ME513055
-
-
12.19662547
-
Glycylproline
Gly-Pro
ME513231
-
-
12.23861288
-
5-Acetamidovalerate
5-Acetamidovaleric acid
ME512983
-
C03087
12.2418918
-
3-Ethylmalate
-
ME512973
-
C01989
12.24385093
-
N-(1-Deoxy-1-fructosyl)proline
-
ME513300
-
-
12.2490764
-
Glycerophosphoglycerol
sn-Glycero-3-phosphoglycerol
ME513227
-
C03274
12.26495644
-
Ala/Gly/Pro
Ala-Gly-Pro
ME513036
-
-
12.32945491
-
Val/Asp/His
Val-Asp-His
ME513454
-
-
12.33585977
-
Guanine
Guanine
ME513233
-
C00242
12.33790986
-
GDP-3,6-dideoxy-D-galactose
GDP-3,6-dideoxy-D-galactose
ME513191
-
C05136
12.35924903
-
Ala/Gly/Ser
Ala-Gly-Ser
ME513037
-
-
12.37137225
-
Asn/Leu/Thr/Tyr
-
ME513088
-
-
12.41892742
-
ethyl-(4-aminophenyl)-1-deoxy-D-ribitol
-
ME513176
-
-
12.42901849
-
Glu/Ala/Ala
Glu-Ala-Ala
ME513194
-
-
12.43241204
-
Valclavam
Valclavam
ME513455
-
C06668
12.43444997
-
4-Acetamidobutanoic acid
4-Acetamidobutanoic acid
ME512978
-
C02946
12.43913329
-
Pipecolic acid
Pipecolic acid
ME513387
-
C00408
12.45325516
-
Valine
Valine
ME513456
-
C16436_C00183_C06417
12.47150449
-
Deoxyadenosine monophosphate
dAMP
ME513164
-
C00360
12.49872403
-
N6-Acetyl-LL-2,6-diaminoheptanedioate
-
ME513317
-
C04390
12.52355364
-
Proclavaminic acid
Proclavaminic acid
ME513392
-
C06658
12.55026658
-
formycin A
Formycin A
ME513182
-
-
12.56667654
-
Isoleucyl-Arginine
Ile-Arg
ME513257
-
-
12.5722019
-
3,4,2',3',4'-Pentahydroxy-4-methoxychalcone 4-meth...
-
ME512966
-
-
12.5755704
-
dehydrocheilanthifoline
-
ME513163
-
-
12.5981603
-
4S,5R)-2-amino-4,5,6-trihydroxyhex-2-enoate
-
ME512981
-
-
12.63950461
-
beta-aspartyl-L-leucine
-
ME513125
-
-
12.64001109
-
Glu/Ile/Gln/Lys
-
ME513210
-
-
12.66179125
-
Ala/Gly/Gly/Gly
-
ME513035
-
-
12.66362551
-
N2-Succinoylarginine
N2-Succinoylarginine
ME513313
-
C03296
12.6637824
-
Met/Ala/Gly
Met-Ala-Gly
ME513291
-
-
12.66488337
-
6,7-Dimethyl-8-(1-D-ribityl)lumazine
6,7-Dimethyl-8-(1-D-ribityl)lumazine
ME512992
-
C04332
12.66560183
-
D-desosamine
-
ME513162
-
-
12.68265285
-
Isoleucyl-Lysine
Ile-Lys
ME513259
-
-
12.68823344
-
Ile/Ala/Thr
Ile-Ala-Thr
ME513245
-
-
12.69203527
-
Lotaustralin
Lotaustralin
ME513270
-
C08334
12.71486222
-
Asn/Glu/Ile/Pro
-
ME513081
-
-
12.71670736
-
Alanyl-Asparagine
Ala-Asn
ME513064
-
-
12.72348035
-
Proline
Proline
ME513393
-
C00148_C00763
12.79259015
-
Isoleucyl-Alanine
Ile-Ala
ME513256
-
-
12.81217589
-
1-Methylhistidine
1-Methylhistidine
ME512948
-
C01152
12.84736294
-
Glycylleucine
Gly-Leu
ME513230
-
C02155
12.89443184
-
Glu/Glu/His
Glu-Glu-His
ME513205
-
-
12.90209997
-
Tyrosine
Tyrosine
ME513452
-
C06420_C00082_C01536
12.92710198
-
Arabitol
Arabitol
ME513071
-
C01904_C00379_C00474
12.93258133
-
Acacetin 7-O-[6''-O-glucosyl-2''-O-(3'''-acetylrha...
-
ME512998
-
-
12.9588232
-
Isovalerylglutamic acid
-
ME513263
-
-
12.97703241
-
Asparaginyl-Proline
Asn-Pro
ME513112
-
-
12.97747311
-
Diferuloylputrescine
-
ME513167
-
-
12.98459209
-
Ala/Lys/Val/Pro
-
ME513052
-
-
13.06521768
-
Glu/Met/Ser
Glu-Met-Ser
ME513211
-
-
13.10517878
-
Asn/Glu/Ile/Ser
-
ME513082
-
-
13.10567919
-
Ala/Leu/Gly/Pro
-
ME513044
-
-
13.11179708
-
Ophthalmic acid
Ophthalmic acid
ME513338
-
-
13.13890279
-
Ile/Thr/Pro/Pro
-
ME513252
-
-
13.20340489
-
ascr#11
-
ME513077
-
-
13.21094681
-
Ala/Asn/Gly
Ala-Asn-Gly
ME513022
-
-
13.21485143
-
N2-Succinyl-L-ornithine
N2-Succinylornithine
ME513314
-
C03415
13.23226109
-
gamma-Glutamyltyrosine
gamma-Glutamyltyrosine
ME513189
-
-
13.25147065
-
Carnitine
Carnitine
ME513133
-
C00318_C00487_C15025
13.28313797
-
DL-2-Aminooctanoic acid
2-Aminocaprylic acid
ME513173
-
-
13.30206206
-
Asparaginyl-Serine
Asn-Ser
ME513113
-
-
13.33146961
-
Cys/Cys/Asp/Asp/Phe
-
ME513150
-
-
13.36449992
-
2-Aminoheptanoate
2-Aminoheptanoic acid
ME512959
-
-
13.37106908
-
5,6-Dihydrouridine
5,6-Dihydrouridine
ME512982
-
-
13.38707773
-
Adenosine monophosphate
AMP
ME513003
-
C00020_D06299
13.49595642
-
Asparaginyl-Asparagine
Asn-Asn
ME513110
-
-
13.54774212
-
Arg/Leu/Asp/Gly
-
ME513072
-
-
13.54984516
-
Asn/Leu/Lys/Asp
-
ME513086
-
-
13.57871382
-
Valyl-Arginine
Val-Arg
ME513457
-
-
13.61960784
-
Adenosylhomocysteine
S-Adenosylhomocysteine
ME513006
-
C00021
13.63262403
-
Cys/Asn/Asn/Arg/Ser
-
ME513149
-
-
13.70971553
-
6-(-D-glucosaminyl)-1-phosphatidyl-myo-inositol
-
ME512988
-
-
13.74679709
-
N-Acetyllactosamine
N-Acetyllactosamine
ME513324
-
C00611
13.77350639
-
Ile/Ala/Ser
Ile-Ala-Ser
ME513244
-
-
13.82123724
-
gamma-Glutamylcysteine
gamma-Glutamylcysteine
ME513185
-
C00669
13.82388978
-
Lys/Met/Met/Val
-
ME513274
-
-
13.83497493
-
Glutarate semialdehyde
Glutarate semialdehyde
ME513221
-
C03273
13.87134787
-
4-Hydroxy-2-butynal
4-Hydroxybut-2-ynal
ME512979
-
C02648
13.87136046
-
Ala/Ala/Arg
Ala-Ala-Arg
ME513014
-
-
13.8778656
-
Met/Met/Met
Met-Met-Met
ME513292
-
-
13.8826954
-
Mannitol
Mannitol
ME513289
-
C00392
13.90290084
-
Cys/Lys/Thr/Thr/Thr
-
ME513157
-
-
13.90441476
-
Ala/Leu/Ala/Ser
-
ME513041
-
-
13.91177775
-
2,4-pentadienoic acid
beta-Vinyl acrylic acid
ME512951
-
-
13.91838438
-
Picolinamide
Picolinamide
ME513386
-
C01950
13.94837129
-
Fenamiphos
Fenamiphos
ME513180
-
C18659
13.96068044
-
Asn/Asn/Ser/Tyr
-
ME513080
-
-
13.97458954
-
Dimethylglycine
Dimethylglycine
ME513171
-
C01026
13.98311518
-
ADP
ADP
ME513009
-
C00008
14.0096066
-
Fenugreekine
-
ME513181
-
-
14.01299444
-
Glutathione
Glutathione
ME513222
-
C00051_C02471
14.04553572
-
cyclic GMP-AMP
-
ME513148
-
-
14.05281762
-
Ala/Cys/Met/Met/Pro
-
ME513029
-
-
14.10273607
-
Succinyladenosine
Succinyladenosine
ME513436
-
-
14.14846474
-
2-Oxoarginine
2-Oxoarginine
ME512964
-
C03771
14.15035564
-
Methyl 2-diazoacetamidohexonate
Methyl 2-diazoacetamidohexonate
ME513295
-
C01223
14.15739164
-
Kyotorphin
Tyr-Arg
ME513265
-
C02993
14.17142747
-
Arg/Val/Val/Asp
-
ME513074
-
-
14.19458332
-
Ala/Lys/Ala/Ala
-
ME513047
-
-
14.19569218
-
Ala/Lys/Lys/Asp
-
ME513050
-
-
14.20046206
-
CMP-N-trimethyl-2-aminoethylphosphonate
CMP-2-trimethylaminoethylphosphonate
ME513142
-
C05674
14.21101295
-
Muramic acid
Muramic acid
ME513299
-
C06470
14.24535376
-
Glu/Ala/Pro
Glu-Ala-Pro
ME513196
-
-
14.30125563
-
Lysyl-Tyrosine
Lys-Tyr
ME513286
-
-
14.32009523
-
Coformycin
Coformycin
ME513143
-
C01677
14.3546568
-
N-Acetyl-beta-alanine
N-Acetyl-beta-alanine
ME513321
-
C01073
14.38744766
-
Ala/Glu/Glu/Pro/Gln
-
ME513032
-
-
14.38906083
-
Glutamic acid
Glutamic acid
ME513216
-
C00025_C00302_C00217
14.4142727
-
Glycerophosphocholine
sn-Glycero-3-phosphocholine
ME513226
-
C00670
14.45293427
-
Glutamylthreonine
Glu-Thr
ME513220
-
-
14.49920745
-
Ala/Asp/Pro
Ala-Asp-Pro
ME513027
-
-
14.51245552
-
Asn/Asn/Gly/Gly
-
ME513079
-
-
14.54636574
-
3-Methylcrotonylglycine
3-Methylcrotonylglycine
ME512976
-
-
14.59795552
-
6-Hydroxyl-1,6-dihydropurine ribonucleoside
6-Hydroxyl-1,6-dihydropurine ribonucleoside
ME512993
-
C04583
14.61557403
-
Ala/Leu/Thr/Ala
-
ME513045
-
-
14.61561573
-
Histidine
Histidine
ME513237
-
C06419_C00135
14.61616507
-
Creatine
Creatine
ME513145
-
C00300
14.6280629
-
Alanine
Alanine
ME513063
-
C00133_C00041
14.68376275
-
Met/Thr/Thr/Ser
-
ME513293
-
-
14.71656887
-
Glucosamine
Glucosamine
ME513215
-
C00329
14.72161061
-
Ala/Thr/Ala/Ala
-
ME513056
-
-
14.72347876
-
3-Epihydroxy-2'-deoxymugineic acid
-
ME512972
-
C15502
14.72540193
-
Glu/Ala/Ser
Glu-Ala-Ser
ME513197
-
-
14.73386762
-
Ergothioneine
Ergothioneine
ME513175
-
C05570
14.73827317
-
Dihydrothymine
Dihydrothymine
ME513169
-
C00906
14.75146245
-
Ala/Ala/Asp/Pro
-
ME513016
-
-
14.77530009
-
dihydrothymidine
5,6-Dihydrothymidine
ME513168
-
-
14.78403336
-
Cys/Leu/Met/Pro
-
ME513156
-
-
14.81611125
-
Phosphonoacetaldehyde
Phosphonoacetaldehyde
ME513384
-
C03167
14.85804647
-
Phosphorylcholine
Choline phosphate
ME513385
-
C00588
14.86215537
-
N2-gamma-Glutamylglutamine
gamma-Glutamylglutamine
ME513312
-
C05283
14.87792675
-
Ala/Ala/Gly/Arg
-
ME513020
-
-
14.88850236
-
Ala/Lys/Ala/Gln
-
ME513048
-
-
14.88983034
-
Ala/Val/Asp/Ser
-
ME513061
-
-
14.96520002
-
Glutamine
Glutamine
ME513217
-
C00819_C00064
15.00913109
-
Glu/Glu/Pro/Thr
-
ME513209
-
-
15.0104777
-
Ala/Thr/Ala/Asp
-
ME513057
-
-
15.06226083
-
Avenic acid A
-
ME513118
-
-
15.06860561
-
CMP-2-aminoethylphosphonate
CMPciliatine
ME513141
-
C05673
15.08534636
-
Glycerol 1-propanoate diacetate
-
ME513225
-
-
15.10498921
-
platensimycin
-
ME513389
-
-
15.10771467
-
Aspartyl-L-proline
Asp-Pro
ME513117
-
-
15.11255363
-
Allopurinol
Allopurinol
ME513067
-
D00224
15.12808889
-
Asn/Met/Met/Pro
-
ME513089
-
-
15.12871196
-
Nicotinamide ribotide
Nicotinamide ribotide
ME513332
-
C00455
15.13431487
-
Asp/Met/Met/Arg/Tyr
-
ME513101
-
-
15.13528883
-
Ala/Glu/Glu/His
-
ME513031
-
-
15.1388972
-
Ala/Ala/Asp/Ser
-
ME513017
-
-
15.14403435
-
Citicoline
CDP-choline
ME513139
-
C00307
15.15288154
-
Asn/Glu/Ile/Val
-
ME513083
-
-
15.15709054
-
Ala/Asp/Gly/Pro
-
ME513025
-
-
15.19432636
-
Asparagine
Asparagine
ME513108
-
C01905_C00152
15.19744545
-
Asp/Lys/Lys/Asp
-
ME513100
-
-
15.20098911
-
Aminoadipic acid
Aminoadipic acid
ME513068
-
C00956
15.23925305
-
Ala/Lys/Ala/Ser
-
ME513049
-
-
15.24556453
-
Epsilon-(gamma-Glutamyl)-lysine
Epsilon-(gamma-Glutamyl)-lysine
ME513174
-
-
15.25311656
-
Lysyl-Proline
Lys-Pro
ME513283
-
-
15.30933697
-
Prolyl-Arginine
Pro-Arg
ME513395
-
-
15.32638921
-
Thr/Ala/Pro
Thr-Ala-Pro
ME513440
-
-
15.35602351
-
N-acetyl-L-glutaminyl-L-glutamine amide
-
ME513326
-
-
15.38053152
-
Asp/Gly/Gly/Pro
-
ME513094
-
-
15.38650377
-
Ala/Asp/Gln/Gln
-
ME513024
-
-
15.39085293
-
Asparaginyl-Aspartic acid
Asn-Asp
ME513111
-
-
15.42528342
-
Thr/Trp/Cys
Thr-Trp-Cys
ME513443
-
-
15.42690096
-
Ala/Asp/Ser
Ala-Asp-Ser
ME513028
-
-
15.43328524
-
gamma-Aminobutyric acid
gamma-Aminobutyric acid
ME513184
-
C00334
15.43394406
-
Ala/Glu/Gln/Glu
-
ME513030
-
-
15.46211255
-
Methyl -8'-oxo-6,8'-diapo-6-carotenoate
-
ME513296
-
-
15.5084265
-
Melanin
Melanin
ME513290
-
C05606
15.54804541
-
Cytidine monophosphate
CMP
ME513160
-
C00055
15.54973704
-
Ile/Asp/Asp
Ile-Asp-Asp
ME513246
-
-
15.55822652
-
sn-glycero-3-Phosphoethanolamine
sn-Glycero-3-phosphoethanolamine
ME513433
-
C01233
15.61998427
-
Serine
Serine
ME513414
-
C00716_C00740_C00065
15.69588554
-
Threoninyl-Arginine
-
ME513446
-
-
15.69626477
-
Glu/Glu/Gln/His
-
ME513202
-
-
15.71924504
-
CDP-glucose
CDP-glucose
ME513135
-
C00501
15.73274254
-
Glu/Ala/Glu
Glu-Ala-Glu
ME513195
-
-
15.78367842
-
Lys/Gly/His
Lys-Gly-His
ME513272
-
-
15.80992779
-
Thr/Thr/Ala
Thr-Thr-Ala
ME513442
-
-
15.81348422
-
O-Phosphoethanolamine
Phosphoethanolamine
ME513337
-
C00346
15.81357653
-
Asn/Asn/Asp
Asn-Asn-Asp
ME513078
-
-
15.84075288
-
Lysyl-Threonine
Lys-Thr
ME513285
-
-
15.84442641
-
Citrulline
Citrulline
ME513140
-
C00327
15.86048931
-
Glu/Arg/Asn
Glu-Arg-Asn
ME513199
-
-
15.86584604
-
Glu/Ser/Thr
Glu-Ser-Thr
ME513214
-
-
15.87997957
-
Asp/Asp/Gln/Pro
-
ME513090
-
-
15.88854209
-
2'-deamino-2'-hydroxy-6'-dehydroparomamine
-
ME512960
-
-
15.902411
-
beta-aspartyl-L-alanine
-
ME513123
-
-
15.922638
-
Adenosine triphosphate
ATP
ME513004
-
C00002
15.9394898
-
(2,6-anhydro-3-deoxy-D-arabino-heptulopyranosid)on...
-
ME512940
-
-
15.9425176
-
Gamma-Glutamyl-Se-methylselenocysteine
gamma-Glutamyl-Se-methylselenocysteine
ME513188
-
C05695
15.94772305
-
N-methyl-L-glutamic Acid
N-Methyl-glutamic acid
ME513333
-
C01046
16.02485227
-
2-Hydroxybenzaldehyde O-[xylosyl-(1->6)-glucosi...
-
ME512962
-
-
16.04888731
-
Ala/Ala/Ala/Ser
-
ME513013
-
-
16.05906576
-
Ala/Thr/Ala/Gln
-
ME513058
-
-
16.07353719
-
CDP-Ethanolamine
CDP-Ethanolamine
ME513134
-
C00570
16.10787777
-
Brunfelsamidine
Brunfelsamidine
ME513129
-
C10133
16.12770651
-
Aminohydroquinone
-
ME513069
-
C14604
16.15407037
-
Ala/Leu/Asp/Ser
-
ME513043
-
-
16.15868429
-
Lysyl-Histidine
Lys-His
ME513281
-
-
16.15936055
-
Glu/Glu/Lys/Pro
-
ME513207
-
-
16.16983886
-
Sulfinpyrazone sulfide
-
ME513437
-
-
16.22278883
-
Ureidosuccinic acid
N-Carbamoylaspartic acid
ME513453
-
C00438
16.26096644
-
Lys/Ala/Gly
Lys-Ala-Gly
ME513271
-
-
16.28760687
-
Gamma glutamyl ornithine
gamma-Glutamylornithine
ME513183
-
-
16.28824633
-
Guanosine 3'-phosphate
Guanosine 3'-monophosphate
ME513234
-
C06193
16.36656952
-
2-Hydroxyadenine
2-Hydroxyadenine
ME512961
-
-
16.37087883
-
Neuraminic acid
Neuraminic acid
ME513330
-
C06469
16.42764587
-
ADP-ribose 1"-2" cyclic phosphate
-
ME513010
-
-
16.43801117
-
NADP
NADP
ME513328
-
C00006
16.43813335
-
Asparaginyl-Arginine
Asn-Arg
ME513109
-
-
16.44629415
-
Glu/Glu/Pro
Glu-Glu-Pro
ME513208
-
-
16.46171672
-
Cys/His/Pro/Gln/Thr
-
ME513155
-
-
16.46981484
-
beta-Alanyl-L-arginine
beta-Alanyl-L-arginine
ME513121
-
C05340
16.47401775
-
Nopaline
-
ME513334
-
C08508_C01682
16.4965893
-
Lysyl-Asparagine
Lys-Asn
ME513279
-
-
16.51591656
-
beta-Alanyl-L-lysine
-
ME513122
-
C05341
16.51710881
-
Adenosylmethionine
S-Adenosylmethionine
ME513007
-
C00019
16.53217485
-
Asp/Val/Gly/Ser
-
ME513106
-
-
16.53966098
-
Serylarginine
Ser-Arg
ME513415
-
-
16.55838623
-
N-(L-Arginino)succinate
Argininosuccinic acid
ME513305
-
C03406
16.57217402
-
(1,3-diphenylpropoxy)sulfonic acid
-
ME512939
-
-
16.59123434
-
Glutamylarginine
Glu-Arg
ME513218
-
-
16.59685771
-
Glu/Asp/Pro
Glu-Asp-Pro
ME513201
-
-
16.60569297
-
Lysyl-Serine
Lys-Ser
ME513284
-
-
16.61882223
-
Thr/Ala/Ser
Thr-Ala-Ser
ME513441
-
-
16.63064683
-
Glutamyllysine
Glu-Lys
ME513219
-
C04700
16.68144627
-
Lysyl-Glycine
Lys-Gly
ME513280
-
-
16.73513895
-
Asp/Cys/Cys/Ser
S-Glutathionyl-cysteine
ME513093
-
-
16.74973157
-
Ala/Ala/Asp/Asp
-
ME513015
-
-
16.79208342
-
2,3-diacetamido-2,3-dideoxy--D-mannuronate
-
ME512950
-
-
16.799598
-
Cysteinosuccinic acid
S-Cysteinosuccinic acid
ME513158
-
-
16.80817595
-
Aspartyl-Arginine
Asp-Arg
ME513115
-
-
16.81349357
-
beta-aspartyl-L-glutamic acid
-
ME513124
-
-
16.8975647
-
Aspartyl-Aspartate
Asp-Asp
ME513116
-
-
16.94405557
-
Glycyl-Arginine
Gly-Arg
ME513229
-
-
16.98353918
-
2-Amino-2-deoxy-D-gluconate
Glucosaminic acid
ME512957
-
C03752
16.9866481
-
phenyl sulfoxide
-
ME513379
-
-
17.02731832
-
2-[4-(4-chloro-1,2-diphenylbut-1-en-1-yl)phenoxy]a...
-
ME512952
-
-
17.03501112
-
Oxidized glutathione
Oxidized glutathione
ME513341
-
C00127
17.07890755
-
Lysopine
D-Lysopine
ME513278
-
C04020
17.12617595
-
Dimethylethanolamine
Dimethylethanolamine
ME513170
-
C04308
17.23181808
-
N-(4-oxoglutaryl)-L-cysteinylglycine
-
ME513302
-
-
17.7108846
-
Guanosine diphosphate mannose
GDP-mannose
ME513235
-
C00394_C15925_C02280_C00096_C01581
17.73896282
-
Asp/Asp/Gly
Asp-Asp-Gly
ME513092
-
-
17.78935173
-
Adenylsuccinic acid
Adenylsuccinic acid
ME513008
-
C03794
17.79216648
-
N6-Acetyl-N6-hydroxy-L-lysine
N(6)-Acetyl-N(6)-hydroxy-lysine
ME513319
-
C03955
17.86981472
-
Ala/Ile/Pro/Pro/Ser
-
ME513040
-
-
18.0925649
-
N2-Fructopyranosylarginine
-
ME513311
-
-
18.22863722
-
N-Acetylputrescine
N-Acetylputrescine
ME513327
-
C02714
19.09665157
-
Beta-Citryl-L-glutamic acid
Beta-Citryl-glutamic acid
ME513126
-
-
19.38684252
-
Choline
Choline
ME513138
-
C00114
20.01806058
-
psicoselysine
Psicosyllysine
ME513409
-
-
21.20924083
-
Ne,Ne dimethyllysine
N(6),N(6)-Dimethyl-lysine
ME513329
-
C05545 _C05545
21.28923125
-
Arg-OEt
Ethyl arginate
ME513076
-
C01404
21.36856497
-
Diphthamide
-
ME513172
-
-
21.51603733
-
glorin
-
ME513193
-
-
21.59738905
-
N6,N6,N6-Trimethyl-L-lysine
N-6-Trimethyllysine
ME513316
-
C03793
21.59949103
-
Lysyl-Valine
Lys-Val
ME513287
-
-
22.02870358
-
Ornithine
Ornithine
ME513339
-
C01602_C00077_C00515
22.11478772
-
Carnitinamide
-
ME513132
-
C02290
22.28450928
-
Homo-L-arginine
Homoarginine
ME513238
-
C01924
22.48584267
-
Threoninyl-Alanine
-
ME513445
-
-
22.79792605
-
Japonin
-
ME513264
-
-
22.80579427
-
2-{4-[-1,2-diphenylbut-1-en-1-yl]phenoxy}acetic ac...
-
ME512954
-
-
22.81432387
-
Lysine
Lysine
ME513275
-
C00739_C00047
22.81825007
-
quinocarcin
-
ME513412
-
-
22.81914708
-
Arginine
Arginine
ME513075
-
C00792_C00062
23.85788648
-
Pro/Arg/His
Pro-Arg-His
ME513391
-
-
26.53825758
-
3,5-dibromocatechol
-
ME512968
-
-
27.20848472
-
Ala/Lys/Trp/Val
-
ME513051
-
-
27.90743963
-
FeHM
-
ME513179
-
-
28.3440832
-
PG(16:0/22:6)
PG 16:0/22:6
ME513376
-
-
3.578513887
-
PS(16:1/22:0)
PS 16:1/22:0
ME513403
-
-
3.664209253
-
PS(16:0/22:2)
PS 16:0/22:2
ME513402
-
-
3.669428692
-
PS(18:0/18:0)
PS 18:0/18:0
ME513404
-
-
3.671886118
-
Montecristin
-
ME513298
-
-
3.673600007
-
PS(16:0/18:0)
PS 16:0/18:0
ME513398
-
-
3.6761889
-
Cohibin C
-
ME513144
-
-
3.67970834
-
PS(52:0)
PS 52:0
ME513408
-
-
3.680546287
-
1-(hexadecanoyl)-2-(8-[3]-ladderane-octanyl)-sn-gl...
-
ME512943
-
-
3.683136113
-
PC(MonoMe(11,3)/MonoMe(11,3))
-
ME513359
-
-
3.726037018
-
PS(18:0/18:2)
PS 18:0/18:2
ME513406
-
-
3.753190725
-
PC(17:0/12:0)
PC 17:0/12:0
ME513354
-
C00157
3.774255597
-
PS(16:0/18:2)
PS 16:0/18:2
ME513400
-
-
3.792264797
-
Lys/Lys/Thr/Trp/Tyr
-
ME513273
-
-
3.857545387
-
Asp/His/Ile/Val/Trp
-
ME513096
-
-
3.860007435
-
Asp/Phe/Phe/Ile/Arg
-
ME513104
-
-
3.865137058
-
Phe/Ile/Lys/Lys/Lys
-
ME513378
-
-
3.86670834
-
N-palmitoyl proline
N-Palmitoyl proline
ME513336
-
-
3.871925028
-
Asp/Lys/Lys/Arg/Trp
-
ME513099
-
-
3.883851878
-
Asp/Phe/Phe/Gly/Arg
-
ME513103
-
-
3.885477828
-
Asp/His/Ile/Asn/Arg
-
ME513095
-
-
3.893066688
-
N-(eicosanoyl)-tetradecasphing-4-enine
Cer 14:1;O2/20:0
ME513304
-
C00195
3.89338135
-
5beta-cholestan-3alpha,4alpha,11beta,12beta,21-pen...
-
ME512985
-
-
3.899041663
-
Cer(d18:1/24:1)
Cer 18:1;O2/24:1
ME513136
-
C00195
3.904978717
-
1,2-dihydroxyethylphosphonate
-
ME512944
-
-
3.928644435
-
PE(O-18:1/20:4)
PE O-18:1/20:4
ME513375
-
C00350
3.934426447
-
PC(14:1/15:0)
PC 14:1/15:0
ME513349
-
C00157
3.934900002
-
PC(35:6)
PC 35:6
ME513358
-
-
3.949874058
-
PE(20:4/P-18:1)
-
ME513371
-
C00350
3.96075
-
2,2,4,4,-Tetramethyl-6-(1-oxopropyl)-1,3,5-cyclohe...
-
ME512949
-
-
3.990931828
-
PC(18:0/22:5)
PC 18:0/22:5
ME513355
-
C00157
3.998833347
-
3-Isopropenyl-6-oxoheptanoate
-
ME512974
-
C11419_C11405
4.007981492
-
PE(14:0/22:5)
PE 14:0/22:5
ME513363
-
C00350
4.008994448
-
PC(18:0/22:6)
PC 18:0/22:6
ME513356
-
C00157
4.01834909
-
PC(16:0/22:6)
PC 16:0/22:6
ME513353
-
C00157
4.021123535
-
PC(16:0/22:4)
PC 16:0/22:4
ME513351
-
C00157
4.02295589
-
PE(14:0/20:3)
PE 14:0/20:3
ME513362
-
C00350
4.037390745
-
PC(16:0/22:5)
PC 16:0/22:5
ME513352
-
C00157
4.049507395
-
PE(16:0(9Cp)/16:0(9Cp))
-
ME513367
-
C00350
4.061466645
-
PC(18:1/18:1)
PC 18:1/18:1
ME513357
-
C00157
4.086951505
-
PC(14:0/22:4)
PC 14:0/22:4
ME513348
-
C00157
4.088018187
-
PE(14:0/20:1)
PE 14:0/20:1
ME513361
-
C00350_C13877
4.093450027
-
PE(16:0/22:1)
PE 16:0/22:1
ME513368
-
C00350
4.093469478
-
PC(14:0/22:1)
PC 14:0/22:1
ME513347
-
C00157
4.10465682
-
PC(14:0/20:2)
PC 14:0/20:2
ME513346
-
C00157
4.106539397
-
9'-Carboxy-alpha-chromanol
-
ME512996
-
-
4.10834924
-
PE(37:1)
PE 37:1
ME513372
-
-
4.11630531
-
PC(12:0/20:1)
PC 12:0/20:1
ME513343
-
C00157
4.127261098
-
icos#3
-
ME513242
-
-
4.131437005
-
Monoethylhexyl phthalic acid
Monoethylhexyl phthalic acid
ME513297
-
C03343
4.136601512
-
Tributyl phosphate
Tributyl phosphate
ME513449
-
C14439
4.146285957
-
PC(14:0/16:0)
PC 14:0/16:0
ME513344
-
C00157
4.146751842
-
Gly/Arg/Trp/Trp/Trp
-
ME513223
-
-
4.337491665
-
Gravolenic acid
-
ME513232
-
-
4.353533328
-
20-hydroxy-fusarin
-
ME512955
-
-
4.373766697
-
Cys/His/Ile/Ile/Lys
-
ME513154
-
-
4.705261117
-
2-acetyl-1-alkyl-sn-glycero-3-phosphocholine
-
ME512956
-
-
4.710075748
-
Palmitoylcarnitine
CAR 16:0
ME513342
-
C02990
4.71320221
-
PE(19:0)
PE 19:0
ME513370
-
-
4.782812742
-
PC(16:0/16:0)
PC 16:0/16:0
ME513350
-
C00157
4.819775043
-
15beta-Hydroxy-7alpha-mercapto-pregn-4-ene-3,20-di...
-
ME512946
-
C14922
5.038023812
-
PE(39:1)
PE 39:1
ME513373
-
-
5.042501485
-
PE(39:2)
PE 39:2
ME513374
-
-
5.062257942
-
FA (14:2) tetradecadienal
-
ME513178
-
-
5.087250727
-
PE(15:0/22:2)
PE 15:0/22:2
ME513366
-
C00350
5.10955154
-
PC(14:0/20:1)
PC 14:0/20:1
ME513345
-
C00157_C13875
5.133865172
-
3',4',5'-Trimethoxycinnamyl alcohol acetate
-
ME512967
-
-
5.151009808
-
notoamide E
-
ME513335
-
-
5.161998098
-
Tetraethylene glycol
Tetraethylene glycol
ME513439
-
-
5.18962652
-
Isothipendyl
-
ME513262
-
-
5.309502778
-
2-Phenylethyl beta-D-glucopyranoside
-
ME512965
-
-
5.418113638
-
PE(15:0/22:1)
PE 15:0/22:1
ME513365
-
C00350
5.603512897
-
PE(15:0/20:0)
PE 15:0/20:0
ME513364
-
C00350
5.739217423
-
(8-hydroxydecyl)-(hydroxymethyl)-piperidin-ol
-
ME512941
-
-
5.879966667
-
6,10-Dimethyl-9-methylene-5-undecen-2-one
-
ME512990
-
-
6.060334847
-
Ala/Met/Ala/Pro
-
ME513053
-
-
6.144610228
-
Didodecyl thiobispropanoate
Didodecyl thiobispropanoate
ME513166
-
-
6.232785612
-
PE(18:1/14:0)
PE 18:1/14:0
ME513369
-
C00350
6.855799047
-
His/Arg/Arg/Val/Trp
-
ME513236
-
-
6.920463682
-
(R) 2,3-Dihydroxy-3-methylvalerate
-
ME512942
-
C06007_C04104
6.93977777
-
PS(18:0/20:4)
PS 18:0/20:4
ME513407
-
C02737
6.969827137
-
PE(14:0/18:0)
PE 14:0/18:0
ME513360
-
C00350
6.997985027
-
Ile/Ile/Ile/Ile
-
ME513251
-
-
6.99839291
-
Styrene Oxide
-
ME513435
-
C02083
7.02382505
-
Levcromakalim
-
ME513269
-
C11697_C11819
7.165312053
-
PS(16:0/20:4)
PS 16:0/20:4
ME513401
-
-
7.203374085
-
PS(18:0/18:1)
PS 18:0/18:1
ME513405
-
C02737
7.209883358
-
Asp/Asp/Glu/Ile/Thr
-
ME513091
-
-
7.265300915
-
PS(16:0/18:1)
PS 16:0/18:1
ME513399
-
C13880
7.280563892
-
N-(pentacosanoyl)-sphing-4-enine-1-phosphocholine
SM 18:1;O2/25:0
ME513306
-
-
7.691882512
-
SM(d18:1/26:1)
SM 18:1;O2/26:1
ME513426
-
C00550
7.727139207
-
Phenylacetaldehyde
Phenylacetaldehyde
ME513380
-
C00601
7.727948507
-
SM(d18:1/26:0)
SM 18:1;O2/26:0
ME513425
-
C00550
7.737754135
-
SM(d18:2/25:0)
SM 18:2;O2/25:0
ME513431
-
-
7.745539828
-
SM(d42:3)
SM 42:3;O2
ME513432
-
-
7.755984192
-
SM(d18:1/24:0)
SM 18:1;O2/24:0
ME513424
-
-
7.758713647
-
SM(d18:2/24:0)
SM 18:2;O2/24:0
ME513430
-
C00550
7.764579565
-
SM(d18:1/23:0)
SM 18:1;O2/23:0
ME513423
-
C00550
7.767174123
-
SM(d18:2/23:0)
SM 18:2;O2/23:0
ME513429
-
-
7.769016708
-
SM(d18:1/20:1)
SM 18:1;O2/20:1
ME513422
-
-
7.775487263
-
SM(d18:2/22:0)
SM 18:2;O2/22:0
ME513428
-
C00550
7.775879975
-
SM(d16:1/24:0)
SM 16:1;O2/24:0
ME513419
-
C00550
7.778224252
-
SM(d16:0/20:0)
SM 16:0;O2/20:0
ME513417
-
C00550
7.786008327
-
N-(tetracosanoyl)-tetradecasphing-4-enine-1-phosph...
-
ME513307
-
-
7.787413713
-
SM(d16:1/22:0)
SM 16:1;O2/22:0
ME513418
-
C00550
7.790583347
-
SM(d18:1/18:0)
SM 18:1;O2/18:0
ME513421
-
C00550
7.803523305
-
SM(d18:2/18:0)
SM 18:2;O2/18:0
ME513427
-
C00550
7.805061087
-
N-(tricosanoyl)-tetradecasphing-4-enine-1-phosphoe...
-
ME513308
-
-
7.80691133
-
N-(docosanoyl)-tetradecasphing-4-enine-1-phosphoet...
-
ME513303
-
-
7.816204608
-
N-(tricosanoyl)-tetradecasphingadienine-1-phosphoe...
-
ME513309
-
-
7.818701822
-
Valyl-Valine
Val-Val
ME513458
-
-
7.818925578
-
Stearoylcarnitine
CAR 18:0
ME513434
-
-
7.825358887
-
SM(d18:1/14:0)
SM 18:1;O2/14:0
ME513420
-
-
7.828066622
-
Ala/Glu/Ile/Pro/Thr
-
ME513033
-
-
7.845637243
-
LysoPC(18:0)
LPC 18:0
ME513277
-
C04230
7.861822227
-
LysoPC(16:0)
LPC 16:0
ME513276
-
C04102_C04230
7.864327777
-
3-Butynoate
3-Butynoic acid
ME512970
-
C06144
7.86560001
-
Gly/His/His/His/Val
-
ME513224
-
-
7.869246897
-
Ala/Leu/Trp/Ser
-
ME513046
-
-
7.871818632
-
Rhamnose
Rhamnose
ME513413
-
C00507
7.876173203
-
Threoninyl-Tryptophan
Thr-Trp
ME513447
-
-
7.885706265
-
Isoleucylproline
Ile-Pro
ME513260
-
-
7.886915103
-
5'-Methylthioadenosine
5'-Methylthioadenosine
ME512987
-
C00170
7.894713903
-
Benzofuran
Benzofuran
ME513120
-
C14512
7.896966702
-
Glu/Glu/Gln/Trp
-
ME513203
-
-
7.897207882
-
Europine
-
ME513177
-
C10301
7.898535157
-
Niacinamide
Niacinamide
ME513331
-
C00153
7.953337837
-
N6-Acetyl-L-lysine
N6-Acetyllysine
ME513318
-
C02727
7.983741692
-
Gln/Thr/Trp/Pro
-
ME513192
-
-
8.015781275
-
Phenylalanyl-Asparagine
Phe-Asn
ME513383
-
-
8.023143125
-
Isoleucyl-Serine
Ile-Ser
ME513261
-
-
8.03405295
-
benzalkonium
-
ME513119
-
-
8.052270628
-
Thr/Trp/Pro
Thr-Trp-Pro
ME513444
-
-
8.059385117
-
Pyridoxal
Pyridoxal
ME513410
-
C00250
8.111895803
-
Ile/Ala/Gly
Ile-Ala-Gly
ME513243
-
-
8.141934353
-
9-mercaptodethiobiotin
-
ME512997
-
-
8.20733128
-
3-nitro-2-pentanol
-
ME512977
-
-
8.210023452
-
Dethiobiotin
Dethiobiotin
ME513165
-
C01909
8.483774135
-
7,8-H2pterin-6-ylmethyl-l-(4-aminophenyl)-1-deoxy-...
-
ME512994
-
-
8.551932468
-
Ile/Gly/Gly
Ile-Gly-Gly
ME513248
-
-
8.604542242
-
Lenticin
Lenticin
ME513266
-
C09213
8.831732573
-
2-{[1-(R)-Carboxyethyl]amino}pentanoate
-
ME512953
-
C06326
8.958492533
-
CHAPS
CHAPS
ME513137
-
C11321
9.218321342
-
Callyspongenol D
-
ME513131
-
-
9.228820348
-
Ala/Leu/Asn/Pro
-
ME513042
-
-
9.230795168
-
Adenosine
Adenosine
ME513002
-
C00212_C07195
9.231538483
-
Caffeoylferuloylspermidine
-
ME513130
-
-
9.356281415
-
Ala/Ala/Cys
Ala-Ala-Cys
ME513019
-
-
9.360094125
-
Isoleucyl-Asparagine
Ile-Asn
ME513258
-
-
9.366301952
-
Hydroxyprolyl-Tryptophan
-
ME513240
-
-
9.461102893
-
Temurin
Temurin
ME513438
-
-
9.467517628
-
Threoninyl-Tyrosine
-
ME513448
-
-
9.551800957
-
Ala/Val/Gly/Pro
-
ME513062
-
-
9.569423082
-
6,7-Dihydro-4-(hydroxymethyl)-2-(p-hydroxyphenethy...
-
ME512991
-
-
9.626976805
-
Adenine
Adenine
ME513001
-
C00147
9.707914318
-
Cys/Gly/Lys/Ser/Tyr
-
ME513151
-
-
9.744831403
-
Tryptophyl-Asparagine
Trp-Asn
ME513451
-
-
9.756355682
-
N1-(alpha-D-ribosyl)-5,6-dimethyl-benzimidazole
alpha-Ribazole
ME513310
-
C05775
9.779355875
-
Glu/Glu/Ile/Met
-
ME513206
-
-
9.807956815
-
Creatinine
Creatinine
ME513146
-
C00791
9.814863633
-
Ala/Val/Asn/Pro
-
ME513059
-
-
9.817996037
-
Propionylcarnitine
CAR 3:0
ME513397
-
C03017
9.833106902
-
Pyroglutamic acid
Pyroglutamic acid
ME513411
-
C02237_C01879
9.912702295
-
Ala/Gly/Tyr
Ala-Gly-Tyr
ME513038
-
-
9.91424028
-
Ile/Gly/His
Ile-Gly-His
ME513249
-
-
9.917828738
-
Asp/Val/Pro/Ser
-
ME513107
-
-
9.952304642
-
Ala/Glu/Met/Pro/Thr
-
ME513034
-
-
9.979149955
-
Analysis: HILIC NEGATIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
Aspartate-semialdehyde
Aspartate-semialdehyde
ME513479
-
C00441
10.17038935
-
7-(4-Carboxybutanamido)cephalosporanate
-
ME513721
-
C15666
10.20161376
-
O-Acetylserine
O-Acetylserine
ME513504
-
C00979
10.20722351
-
8-Chloro-5,7,4'-trihydroxy-3-C-methylflavanone
-
ME513691
-
-
10.23692316
-
2-Hydroxyethanesulfonate
2-Hydroxyethanesulfonate
ME513482
-
C05123
10.25791846
-
His/Ile/Ile/Arg/Arg
-
ME513797
-
-
10.28106294
-
Glycerol
Glycerol
ME513463
-
C00116
10.35282422
-
(13S,14R)-1,13-dihydroxy-N-methylcanadine
-
ME513720
-
-
10.38277167
-
Ala/Met/Asp/Tyr
-
ME513754
-
-
10.38416206
-
diazaborine
-
ME513665
-
-
10.40676815
-
Asp/Lys/Pro/Pro/Ser
-
ME513764
-
-
10.46427315
-
Seryltyrosine
Ser-Tyr
ME513629
-
-
10.49302458
-
Phenylalanyl-Aspartate
Phe-Asp
ME513644
-
-
10.65321272
-
4,5-Dihydroorotic acid
4,5-Dihydroorotic acid
ME513511
-
C00337
10.67860927
-
Vinaginsenoside R12
-
ME513789
-
-
10.92056236
-
Alanyl-D-alanine
-
ME513513
-
C00993
11.03757805
-
Glu/Ser/Val
Glu-Ser-Val
ME513697
-
-
11.06773405
-
Rhamnulose
-
ME513515
-
C01721_C00861
11.10951899
-
gamma-Glutamyl-beta-cyanoalanine
gamma-Glutamyl-beta-cyanoalanine
ME513598
-
C05711
11.16545297
-
mogroside IE
-
ME513783
-
-
11.29821574
-
Asn/Val/Val/Asp
-
ME513741
-
-
11.37002947
-
3-deoxy-D-galactose
3-Deoxygalactose
ME513518
-
-
11.39137154
-
5-deoxy-D-glucuronate
-
ME513533
-
-
11.48024241
-
beta-aspartyl-L-leucine
-
ME513603
-
-
11.49491001
-
Glutaminylglycine
Gln-Gly
ME513561
-
-
11.6180931
-
Asp/Phe/Ile/Tyr/Tyr
-
ME513802
-
-
11.71786361
-
N-(4-oxoglutaryl)-L-cysteinylglycine
-
ME513677
-
-
11.71850931
-
PG(29:1)
PG 29:1
ME513792
-
-
11.72098513
-
Orotidine
Orotidine
ME513651
-
C01103
11.73728971
-
N-hydroxy DAP
-
ME513565
-
-
11.75317309
-
2,3,4-trihydroxy-butanoic acid
Threonic acid
ME513491
-
C01620
11.79961284
-
Ureidoisobutyric acid
Ureidoisobutyric acid
ME513502
-
C05100
11.85388334
-
Glutamylmethionine
Glu-Met
ME513640
-
-
11.89536073
-
Glu/Met/Thr
Glu-Met-Thr
ME513716
-
-
11.90011845
-
His/His/Arg/Arg/Arg
-
ME513808
-
-
12.04343715
-
3-beta-D-Glucopyranuronosyloxy-5-methylisoxazole
-
ME513637
-
C11107
12.08931095
-
Quinic acid
Quinic acid
ME513548
-
C06746_C00296
12.14658869
-
Uric acid
Uric acid
ME513520
-
C00366
12.14711968
-
2-Deoxy-2,3-dehydro-N-acetylneuraminic acid
2-Deoxy-2,3-dehydro-N-acetylneuraminic acid
ME513655
-
C04580
12.16179171
-
Ala/Val/Asp/Ser
-
ME513723
-
-
12.17829416
-
2-Keto-3-deoxy-D-gluconic acid
2-Dehydro-3-deoxy-D-gluconic acid
ME513532
-
C01216_C00204
12.19187655
-
P-DPD
-
ME513570
-
-
12.21185292
-
Alanyl-Serine
Ala-Ser
ME513530
-
-
12.23741772
-
N-Acetylcystathionine
N-Acetylcystathionine
ME513624
-
-
12.25498155
-
Glu/Gly/Val
Glu-Gly-Val
ME513674
-
-
12.29442501
-
selenium dioxide
-
ME513472
-
-
12.3139992
-
Hydrogen phosphate
Phosphoric acid
ME513466
-
C00009
12.32970757
-
4-Nitrophenol-alpha-D-galactopyranoside
-
ME513670
-
C04452
12.33170687
-
Alanylglycine
Ala-Gly
ME513501
-
-
12.34715751
-
Galactose
Galactose
ME513537
-
C00124_C00984
12.36653327
-
Ala/Asp/Gln/Tyr
-
ME513753
-
-
12.44543433
-
Guanosine 2',3'-cyclic phosphate
2',3' cyclic GMP
ME513703
-
C06194
12.44917687
-
Dedimethylchlorpromazine
-
ME513654
-
-
12.45085401
-
Glutamyltyrosine
Glu-Tyr
ME513682
-
-
12.46481976
-
Methyl-5-thio-D-ribose 1-phosphate
5-Methylthioribose 1-phosphate
ME513616
-
C04188
12.46934497
-
2,3,4,5-Tetrahydroxypentanoic acid
-
ME513517
-
C01685_C00502_C05411_C05412_C00878
12.47358551
-
N-Amidino-L-glutamate
alpha-Guanidinoglutaric acid
ME513545
-
C03140
12.48041759
-
16-bromo-hexadecadien-5,13-diynoic acid
-
ME513693
-
-
12.48579808
-
Hemin
-
ME513786
-
C06767
12.49095273
-
Caftaric acid
Caffeoyltartaric acid
ME513685
-
-
12.49237302
-
Ureidopropionic acid
Ureidopropionic acid
ME513487
-
C02642
12.49938114
-
5,6-Dihydrouridine
5,6-Dihydrouridine
ME513602
-
-
12.57025271
-
4-Amino-4-deoxychorismate
4-Amino-4-deoxychorismic acid
ME513582
-
C11355
12.58000833
-
Demonomethylchlorpromazine
Norchlorpromazine
ME513675
-
-
12.58480985
-
4-Hydroxy-4-methylglutamate
(2S,4S)-4-Amino-2-hydroxy-2-methylpentanedioic acid
ME513531
-
C06034
12.68680748
-
2,7-Anhydro-alpha-N-acetylneuraminic acid
N-Acetyl-2,7-anhydro-alpha-neuraminic acid
ME513656
-
C04521
12.71673155
-
2-Propenyl [3-(2-propenylthio)-2-propenyl] sulfate
-
ME513607
-
-
12.75004123
-
N5-formyl-N5-hydroxy-L-ornithine
-
ME513529
-
-
12.81751954
-
Asp/Phe/Phe/Gly
-
ME513748
-
-
13.06800161
-
Gluconic acid
Gluconic acid
ME513553
-
C00880_C00800_C00770_C15930_C00514_C00257
13.07752653
-
Ala/Ala/Ala/Asp
-
ME513702
-
-
13.18994984
-
Ala/Phe/Phe/Cys
-
ME513752
-
-
13.22255
-
5-Aminopentanamide
5-Aminopentanamide
ME513478
-
C00990
13.22324518
-
phosphinomethylmalate
-
ME513572
-
-
13.45765737
-
Ile/Arg/Trp/Tyr/Tyr
-
ME513823
-
-
13.49785456
-
{6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-8-[3,4...
-
ME513791
-
-
13.502224
-
N-Succinyl-L-glutamate
N2-Succinylglutamate
ME513604
-
C05931
13.5839759
-
Altronate
-
ME513555
-
C00817
13.62900835
-
kifunensine
-
ME513587
-
-
13.78386937
-
Ala/Gly/Gly
Ala-Gly-Gly
ME513562
-
-
13.80974127
-
4-Pyridoxolactone
4-Pyridoxolactone
ME513516
-
C00971
13.82248332
-
2-Methyl-3-oxopropanoic acid
-
ME513469
-
C06002_C00349
13.83344768
-
N-acetyldemethylphosphinothricyl-L-alanyl-L-leucin...
-
ME513724
-
-
13.83742442
-
Pro/Val/Val/Tyr
-
ME513746
-
-
13.83745692
-
Arg/Val/Gly/Pro
-
ME513736
-
-
13.83954909
-
4-Nitrophenyl-3-ketovalidamine
-
ME513660
-
C03995
13.84547871
-
Dide-O-methylsimmondsin
-
ME513704
-
-
13.8585892
-
His/Pro/Ser/Ser
-
ME513735
-
-
13.86486257
-
Dihydroxyacetone
Dihydroxyacetone
ME513461
-
C00184
13.86539025
-
Isradipine
-
ME513711
-
-
13.87761183
-
Glutamylthreonine
Glu-Thr
ME513605
-
-
13.88220885
-
beta-aspartyl-L-glutamic acid
-
ME513623
-
-
13.88878801
-
Ala/Cys/Cys/Cys/Glu
-
ME513759
-
-
13.89223322
-
Glu/Gly/Pro
Glu-Gly-Pro
ME513671
-
-
13.90895538
-
Ala/Asp/Gly/Tyr
-
ME513734
-
-
13.93192633
-
Glutamylproline
Glu-Pro
ME513599
-
-
13.93352548
-
N-Nitrosoproline
N-Nitrosoproline
ME513498
-
C19485
13.98547505
-
Galactonic acid
Galactonic acid
ME513554
-
C00880
13.98711446
-
idopyranuronate
-
ME513550
-
-
14.00110468
-
Cyclic ADP-ribose
Cyclic ADP-ribose
ME513763
-
C13050
14.01401305
-
Glutamylalanine
Glu-Ala
ME513575
-
-
14.01986473
-
Ala/Thr/Asp/Gln
-
ME513739
-
-
14.08258912
-
Glycyl-Serine
Gly-Ser
ME513514
-
-
14.17112941
-
Hydroxymethylphosphonate
Hydroxymethylphosphonic acid
ME513473
-
C06455
14.17496491
-
Cys/Asp/Ser/Ser/Tyr
-
ME513774
-
-
14.21521883
-
Gly/Lys/Lys/Met/Arg
-
ME513782
-
-
14.37119844
-
Glu/Ile/Ile/Ile/Ile
-
ME513779
-
-
14.38244549
-
Cys/Cys/Ser/Ser/Ser
-
ME513750
-
-
14.40966667
-
Asn/Thr/Cys/Cys
-
ME513740
-
-
14.46163144
-
Bis-D-fructose 2',1:2,1'-dianhydride
Bis-D-fructose 2',1:2,1'-dianhydride
ME513695
-
C04333
14.51955561
-
6-[2-carboxy-2-(hydroxymethyl)-2-methylethoxy]-3,4...
-
ME513680
-
-
14.61851287
-
Succinic acid
Succinic acid
ME513480
-
C00042
14.62647654
-
Asp/Ile/Ile/Ile/Ile
-
ME513777
-
-
14.64834442
-
Neodulin
-
ME513678
-
-
14.67343324
-
Glycerol 3-phosphate
sn-Glycero-3-phosphate
ME513522
-
C00093_C00623
14.67639096
-
Aspartic acid
Aspartic acid
ME513489
-
C00049_C00402
14.68994626
-
Glu/Asp/Ile
Glu-Asp-Ile
ME513714
-
-
14.6936655
-
Asn/Leu/Pro/Ser
-
ME513738
-
-
14.71056208
-
Uridine diphosphate-N-acetylglucosamine
UDP-N-acetylglucosamine
ME513780
-
C00203_C01170_C00043
14.71493694
-
AMP-Mor
-
ME513732
-
-
14.71628881
-
N-Acetylglucosamine 6-phosphate
N-Acetyl-glucosamine 6-phosphate
ME513669
-
C00357
14.71749827
-
Ala/Cys/Cys/Lys/Ser
-
ME513756
-
-
14.77292061
-
5,7,3',5'-Tetrahydroxy-3,6,8,4'-tetramethoxyflavon...
5,7,3',5'-Tetrahydroxy-3,6,8,4'-tetramethoxyflavone 3'-glucoside
ME513771
-
-
14.78108233
-
4'-Phosphopantothenate
(R)-4'-Phosphopantothenic acid
ME513664
-
C03492
14.78308993
-
3'-UMP
3'-UMP
ME513694
-
C01368
14.78849442
-
2-Hydroxyglutaric acid
2-Hydroxyglutaric acid
ME513505
-
C02630_C03196_C01087
14.80899695
-
gamma-Glutamylalanine
gamma-Glutamylalanine
ME513576
-
C03740_C03738
14.82561295
-
Asp/Asp/Phe/Ile/Tyr
-
ME513788
-
-
14.84059288
-
Hexose phosphate
Hexose 6-phosphate
ME513617
-
C02965_C02962
14.8566113
-
Glu/Phe/His/Met/Met
-
ME513796
-
-
14.85871955
-
(acetamidomethyl)phosphonate
-
ME513508
-
-
14.87248343
-
6-[2-(carboxymethyl)-3,5-dihydroxy-4-(3-methylbut-...
-
ME513737
-
-
14.88214506
-
Sorbitol-6-phosphate
Pseudouridine
ME513622
-
C00644_C02810_C01096
14.89012508
-
PIPES
-
ME513672
-
-
14.89913895
-
Ile/Ile/Ile/Ile/Gln
-
ME513778
-
-
14.97210936
-
Bergaptol
Bergaptol
ME513558
-
C00758
14.99397216
-
Acetamidopropanal
Acetamidopropanal
ME513476
-
C18170
14.99399248
-
Phosphodimethylethanolamine
N,N-Dimethylethanolamine phosphate
ME513521
-
C13482
15.02934163
-
Hydantoin-5-propionic acid
Hydantoin-5-propionic acid
ME513523
-
C05565
15.04084162
-
2-C-methyl-D-erythritol-2,4-cyclodiphosphate
-
ME513639
-
-
15.04610183
-
Oxoglutaric acid
2-Oxoglutaric acid
ME513499
-
C00026
15.0568008
-
phosphinomethylisomalate
-
ME513571
-
-
15.08720929
-
Cyclopassifloside II
-
ME513793
-
-
15.09723236
-
3-Amino-2-piperidone
3-Amino-2-piperidone
ME513475
-
-
15.10567651
-
Cys/Cys/Cys/His/Asn
-
ME513775
-
-
15.11963328
-
dXMP
-
ME513705
-
-
15.13471945
-
Glu/Glu/Ser/Thr
-
ME513743
-
-
15.14926684
-
agarotriose
-
ME513751
-
-
15.16554862
-
Acetyl-maltose
Acetyl-maltose
ME513719
-
C02130
15.16778229
-
beta-aspartyl-L-alanine
-
ME513563
-
-
15.16879996
-
Ala/Asp/Gly
Ala-Asp-Gly
ME513621
-
-
15.17250643
-
beta-aspartyl-L-threonine
-
ME513589
-
-
15.18723416
-
Ala/Ala/Pro
Ala-Ala-Pro
ME513612
-
-
15.23234899
-
PI(O-33:0)
PI O-33:0
ME513828
-
-
15.24239412
-
Ile/Ile/Ile/Ile/Asn
-
ME513776
-
-
15.25248707
-
Ribose 5-phosphate
Ribose 5-phosphate
ME513585
-
C00117
15.25536024
-
Caffeic acid 3-sulfate
Caffeic acid 3-sulfate
ME513615
-
-
15.27103971
-
beta-aspartyl-L-serine
-
ME513578
-
-
15.36427595
-
3-Phosphonopyruvate
-
ME513519
-
C02798
15.54115736
-
5-{[-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-3-hy...
-
ME513731
-
-
15.55927226
-
Phe/Phe/Met/Trp/Tyr
-
ME513820
-
-
15.56539911
-
Ile/Lys/Gln/Tyr
-
ME513766
-
-
15.5920818
-
Malic acid
Malic acid
ME513490
-
C00497_C00149_C03668
15.59969015
-
Fructose 6-phosphate
Fructose 6-phosphate
ME513619
-
C00085
15.60004623
-
UDP-L-Ara4FN
UDP-4-deoxy-4-formamido-beta-L-arabinose
ME513769
-
C16154
15.76452739
-
Sulfate
Sulfate
ME513465
-
C00059
15.80688939
-
1-(sn-Glycero-3-phospho)-myo-inositol
sn-Glycero-3-phosphoinositol
ME513698
-
C01225
15.83735459
-
3-sulfopropanoate
-
ME513509
-
-
15.88202579
-
Uridine diphosphate glucose
UDP-glucose
ME513770
-
C00029_C00052
15.92449443
-
Sedoheptulose 7-phosphate(2-)
Sedoheptulose 7-phosphate
ME513653
-
C05382
15.93802598
-
Uridine 5'-diphosphate
UDP
ME513728
-
C00015
16.03858694
-
Glucosamine 6-phosphate
Glucosamine 6-phosphate
ME513614
-
C00352
16.15854655
-
Carglumic acid
Carglumic acid
ME513546
-
C05829
16.19126197
-
2-Hydroxy-3-(phosphonatooxy)propanoate
3-Phosphoglyceric acid
ME513540
-
C00197
16.34640639
-
guanosine 2'-monophosphate
-
ME513709
-
-
16.37217226
-
Trp/Gly/Gly/Gly
-
ME513713
-
-
16.47751333
-
Tarennoside
Tarennoside
ME513708
-
C11654
16.5034157
-
N-Acetyl-D-glucosamine 1,6-bisphosphate
N-Acetylglucosamine 1,6-bisphosphate
ME513717
-
C04461
16.52645325
-
CDP
CDP
ME513727
-
C00112
16.59172938
-
4-(4-Chlorophenyl)-1-[4-(4-fluorophenyl)-4-oxobuty...
-
ME513706
-
-
16.63327451
-
Inositol cyclic phosphate
Inositol cyclic phosphate
ME513594
-
C04299
16.64084264
-
6-Phosphogluconic acid
6-Phosphogluconic acid
ME513638
-
C00345
16.67345282
-
glutathione sulfinate
-
ME513699
-
-
16.71462047
-
Glucose 6-phosphate
Glucose 6-phosphate
ME513618
-
C00092
16.76210927
-
Gossypetin 7-methyl ether 8-acetate
-
ME513712
-
-
16.82423953
-
Arg/Leu/Thr/Tyr
-
ME513767
-
-
16.97383035
-
Ala/Asp/Asp/Gly
-
ME513715
-
-
17.00725493
-
myo-Inositol
Myo-inositol
ME513538
-
C00137_C06152_C06153
17.01621223
-
Sulfoacetate
Sulfoacetic acid
ME513497
-
C14179
17.40053037
-
2-carboxy-L-xylonolactone
-
ME513547
-
-
17.61109842
-
2,3-Diphosphoglyceric acid
2,3-Diphosphoglyceric acid
ME513625
-
C01159
17.75988877
-
3-carboxy-2,3-dihydroxypropanoate
-
ME513506
-
C00552_C00898
17.81922718
-
Sulfobutanedioic acid
Sulfobutanedioic acid
ME513556
-
-
20.54292427
-
(2R,4S)-2,4-Diaminopentanoate
-
ME513488
-
C03943
23.81892845
-
Pipercyclobutanamide A
-
ME513773
-
-
2.660570457
-
Ala/Lys/Met/Trp
-
ME513761
-
-
28.1696819
-
Apiumoside
-
ME513772
-
-
28.41297212
-
Bipindogulomethyloside
-
ME513768
-
C08848_C08874_C08851
28.58640147
-
PI(12:0/18:2)
PI 12:0/18:2
ME513817
-
-
28.65060618
-
PI(32:5)
PI 32:5
ME513824
-
-
28.93626505
-
PG(18:0/22:6)
PG 18:0/22:6
ME513831
-
-
3.635084237
-
PG(16:0/22:5)
PG 16:0/22:5
ME513821
-
-
3.640262957
-
PG(16:0/22:4)
PG 16:0/22:4
ME513822
-
-
3.640274062
-
PG(18:0/18:2)
PG 18:0/18:2
ME513814
-
-
3.641131478
-
PG(18:0/22:5)
PG 18:0/22:5
ME513832
-
-
3.645376842
-
PG(16:0/18:2)
PG 16:0/18:2
ME513806
-
-
3.646247355
-
PG(18:0/20:3)
PG 18:0/20:3
ME513825
-
-
3.646304618
-
PG(18:0/18:1)
PG 18:0/18:1
ME513815
-
-
3.647146282
-
PG(16:0/18:1)
PG 16:0/18:1
ME513807
-
C13883
3.65401203
-
Cholesterol sulfate
Cholesterol sulfate
ME513745
-
C18043
3.708043197
-
PA(16:1/20:1)
PA 16:1/20:1
ME513799
-
C00416
3.7429296
-
PS(18:0/20:4)
PS 18:0/20:4
ME513829
-
C02737
3.745057585
-
PS(18:0/22:4)
PS 18:0/22:4
ME513837
-
-
3.747179625
-
PA(14:1/22:2)
PA 14:1/22:2
ME513798
-
-
3.751514845
-
PS(18:1/20:4)
PS 18:1/20:4
ME513827
-
-
3.754062032
-
PS(18:0/22:5)
PS 18:0/22:5
ME513836
-
C02737
3.75575741
-
PS(20:3/18:3)
PS 20:3/18:3
ME513826
-
-
3.76586202
-
tetrahydrogeranylgeranyl bacteriopheophytin
-
ME513840
-
-
3.771080525
-
PA(14:1/20:1)
PA 14:1/20:1
ME513790
-
C00416
3.776020362
-
dihydrogeranylgeranyl bacteriopheophytin
-
ME513839
-
-
3.777742583
-
2-Dodecylbenzenesulfonic acid
2-Dodecylbenzenesulfonic acid
ME513696
-
-
3.778829517
-
PS(16:0/20:3)
PS 16:0/20:3
ME513818
-
-
3.784621273
-
sodium dodecyl sulfate
Blasticidin S
ME513628
-
-
3.78645757
-
PS(18:0/18:1)
PS 18:0/18:1
ME513819
-
C02737
3.7881265
-
Polystyrene sulfonate
-
ME513539
-
-
3.791466668
-
N-Undecylbenzenesulfonic acid
N-Undecylbenzenesulfonic acid
ME513686
-
-
3.797599977
-
Tetracosanoic acid
Lignoceric acid
ME513710
-
C08320
3.813603753
-
2-(4-sulfophenyl)decane
-
ME513661
-
-
3.817782535
-
C22-mycosanoate
-
ME513701
-
-
3.835324223
-
Arachidic acid
Arachidic acid
ME513688
-
C06425
3.863223452
-
Eicosenoic acid
Eicosenoic acid
ME513684
-
-
3.87013485
-
Tuberculostearic acid
Tuberculostearic acid
ME513663
-
C16794
3.871658313
-
Stearic acid
Stearic acid
ME513649
-
C01530
3.900726527
-
octadecenoic acid
Octadecenoic acid
ME513647
-
-
3.909008362
-
Epoxymurin A
-
ME513760
-
C08484
3.914231492
-
Heptadecanoic acid
Margaric acid
ME513635
-
-
3.91734774
-
1-Stearoylglycerophosphoglycerol
LPG 18:0
ME513758
-
-
3.919262032
-
FA (18:2)
Octadecadienoic acid
ME513645
-
-
3.919440923
-
a 2-acyl-sn-glycero-3-phosphoglycerol (n-C18:1)
-
ME513757
-
-
3.933711752
-
FA (18:3)
Octadecatrienoic acid
ME513643
-
-
3.938110595
-
kauralexin A1
-
ME513676
-
-
3.940187882
-
Palmitic acid
Palmitic acid
ME513611
-
C00249
3.943069735
-
Cys/Cys/Phe/Lys/Trp
-
ME513794
-
-
3.944597217
-
Cys/Phe/Lys/Met/Trp
-
ME513800
-
-
3.947929623
-
3-Oxooctadecanoic acid
-
ME513662
-
-
3.958276528
-
Palmitoleic acid
Palmitoleic acid
ME513610
-
C08362
3.95974699
-
Phe/Lys/Met/Met/Trp
-
ME513805
-
-
3.96073056
-
PE(P-40:5)
PE P-40:5
ME513816
-
-
3.960819457
-
1-hexadecanoyl-sn-glycero-3-phospho-(1'-sn-glycero...
-
ME513749
-
-
3.961481372
-
FA methyl(16:1)
-
ME513632
-
-
3.967223497
-
FA methyl(14:0)
-
ME513597
-
C16665
3.97981061
-
PC(15:0/20:5)
PC 15:0/20:5
ME513811
-
C00157
3.98456298
-
2-Hydroxyhexadecanoic acid
2-Hydroxypalmitic acid
ME513636
-
-
3.988136372
-
Botrydial
Botrydial
ME513683
-
C09622
3.998346225
-
His/Lys/Asn/Trp/Trp
-
ME513813
-
-
4.001195385
-
FA oxo(16:0)
-
ME513634
-
-
4.002097713
-
Myristic acid
Myristic acid
ME513584
-
C06424
4.008201518
-
2-Hydroxystearic acid
2-Hydroxystearic acid
ME513668
-
C03045_C03042
4.008999992
-
1-(4-Hydroxy-3-methoxyphenyl)-3-decanone
1-(4-Hydroxy-3-methoxyphenyl)-3-decanone
ME513642
-
C10482
4.011237025
-
avenolide
-
ME513593
-
-
4.012293208
-
Phytuberin
Phytuberin
ME513659
-
C09709
4.013322727
-
PC(15:0/18:4)
PC 15:0/18:4
ME513804
-
C00157
4.021247713
-
PE(16:0/22:4)
PE 16:0/22:4
ME513812
-
C00350
4.039929815
-
Tridecanoic acid
Tridecylic acid
ME513573
-
C13795_C17076
4.053356795
-
Rishitin
Rishitin
ME513581
-
C09715
4.098637125
-
DGCC(20:5/20:5)
-
ME513830
-
-
4.144566685
-
Fucoxanthinol 3-myristoleate
-
ME513833
-
-
4.168882412
-
4-acetoxy-10,15-dihydroxyprobotryane
-
ME513687
-
-
4.177322723
-
2-Hydroxydecanoate
2-Hydroxycapric acid
ME513544
-
-
4.181125005
-
Undecanoic acid
Undecylic acid
ME513542
-
C17715
4.183852293
-
FA hydroxy(18:0)
-
ME513689
-
-
4.18876063
-
Isophosphamide mustard
-
ME513577
-
-
4.199504612
-
8-hydroxy-17-octadecadien-9-ynoic acid
-
ME513657
-
-
4.232027273
-
1-(eicosatetraenoyl)-sn-glycero-3-phosphoserine
-
ME513765
-
-
4.234044807
-
Capric acid
Capric acid
ME513526
-
C01571
4.24466896
-
2-octenal
2-Octenal
ME513483
-
-
4.275888628
-
N-(eicosanoyl)-tetradecasphing-4-enine
Cer 14:1;O2/20:0
ME513762
-
C00195
4.27650186
-
Gallicynoic acid A
-
ME513609
-
-
4.28446816
-
Cer(d18:1/24:1)
Cer 18:1;O2/24:1
ME513784
-
C00195
4.290954688
-
Hexanal
Caproaldehyde
ME513467
-
C02373
4.302156842
-
PC(17:0/12:0)
PC 17:0/12:0
ME513795
-
C00157
4.312909275
-
PC(35:6)
PC 35:6
ME513809
-
-
4.313008358
-
methyl 8-[3,5-epidioxy-2-(3-hydroperoxy-1-pentenyl...
-
ME513725
-
-
4.31809075
-
Dichotosin
Dichotosin
ME513742
-
-
4.329926893
-
N-Lignoceroylsphingosine
Cer 18:1;O2/24:0
ME513785
-
C00195
4.335005555
-
2,4-diamino-6-ethyl-5,3'-(2-cyclohexylphenoxy)prop...
-
ME513730
-
-
4.336264757
-
N-Butyl-beta-carboline-3-carboxylate
-
ME513630
-
C13805
4.340925908
-
1-O-Cinnamoyl-beta-D-glucose
1-O-trans-Cinnamoyl-beta-D-glucose
ME513681
-
C04164
4.340929638
-
FA hydroxy(12:1)
-
ME513534
-
-
4.340930572
-
2-hydroxy-2-[4-hydroxy-3-(3-methylbut-2-en-1-yl)ph...
-
ME513590
-
C12457
4.341770328
-
Burseran
Burseran
ME513722
-
C10547
4.342611073
-
alpha-Irone
alpha-Irone
ME513566
-
C09690_C11350
4.347931047
-
Phenylacetaldehyde
Phenylacetaldehyde
ME513481
-
C00601
4.360684088
-
FA hydroxy(9:0) hydroxy-nonanoic acid
-
ME513528
-
-
4.362009107
-
3',4',5'-Trimethoxycinnamyl alcohol acetate
-
ME513626
-
-
4.365282465
-
Hydrocinnamic acid
Hydrocinnamic acid
ME513507
-
C05629
4.372958352
-
Methyleugenol
Methyleugenol
ME513535
-
C10454
4.37527119
-
Methylacetoacetic acid
Methylacetoacetic acid
ME513477
-
-
4.378012872
-
methyl pyruvate
Methyl pyruvate
ME513468
-
-
4.389385628
-
Eupatocunin
-
ME513729
-
C09437
4.390956483
-
Undecanedioic acid
Undecanedioic acid
ME513574
-
-
4.417902305
-
methacrylate
-
ME513460
-
-
4.438075742
-
Sphenostylin D
-
ME513726
-
-
4.441183345
-
N-Benzyloxycarbonylglycine
N-Benzyloxycarbonylglycine
ME513569
-
C03710
4.447489845
-
Sebacic acid
Sebacic acid
ME513559
-
C08277
4.473690912
-
2-amino-3-(4-hydroxy-3-methoxyphenyl)-2-methylprop...
-
ME513583
-
-
4.483972197
-
N-Lauroylglycine
N-Lauroylglycine
ME513613
-
-
4.544468785
-
4-Hydroxyphenylacetaldehyde
4-Hydroxyphenylacetaldehyde
ME513493
-
C03765
4.589182535
-
11-dehydro-2,3-dinor-TXB2
11-Dehydro-2,3-dinor-TXB2
ME513700
-
-
4.607206875
-
LysoPE(18:1)
LPE 18:1
ME513744
-
-
4.620954955
-
Isoleucyl-Phenylalanine
Ile-Phe
ME513641
-
-
4.710872605
-
Phenylacetylglycine
Phenylacetylglycine
ME513549
-
C05598
4.748804168
-
2-{[hydroxy(2,3,4-trimethoxyphenyl)methylidene]ami...
-
ME513633
-
-
4.752764837
-
9-Oxo-nonanoic acid
9-Oxo-nonanoic acid
ME513524
-
C16322
4.792163663
-
FA hydroxy(7:0)
-
ME513503
-
-
4.796719013
-
2-[4,6-dihydroxy-3-(4-hydroxy-3-methylbut-2-en-1-y...
-
ME513646
-
-
4.820161155
-
2-{[(3,5-dimethoxyphenyl)(hydroxy)methylidene]amin...
-
ME513592
-
-
4.821122205
-
7,8-diketopelargonate
-
ME513541
-
-
4.828056035
-
Isoleucyl-Tryptophan
Ile-Trp
ME513690
-
-
4.829183325
-
FA (12:1) Decenedioic acid
Decenedioic acid
ME513557
-
-
4.832506815
-
Secobarbital
Secobarbital
ME513591
-
-
4.83354543
-
N-(6-Aminohexanoyl)-6-aminohexanoate
-
ME513600
-
C01255
4.837571277
-
N-Acetyl-L-phenylalanine
N-Acetylphenylalanine
ME513568
-
C03519_C05620
4.839755588
-
2-isocapryloyl-hydroxymethyl--butyrolactone
-
ME513596
-
-
4.847488612
-
Ketoleucine
Ketoleucine
ME513486
-
C00233
4.847819635
-
Sphinganine 1-phosphate
Sphinganine 1-phosphate
ME513718
-
C01120
4.855220827
-
Hexanoylglycine
Hexanoylglycine
ME513527
-
-
4.892492845
-
Sulcatone
Sulcatone
ME513484
-
C07287
5.337443867
-
methyl phosphate
Methanolphosphate
ME513692
-
-
5.440039797
-
PE(16:1/20:3)
PE 16:1/20:3
ME513803
-
C00350
5.563362335
-
2-Aceto-2-hydroxybutanoic acid
-
ME513500
-
C06006_C00659
6.186417435
-
PC(13:0/18:1)
PC 13:0/18:1
ME513801
-
C00157
6.697385615
-
4-Octylphenol
4-Octylphenol
ME513567
-
C14132
6.797733307
-
4-Methylbenzoic acid
4-Methylbenzoic acid
ME513494
-
C01454
6.865531783
-
gamma-Glutamylleucine
gamma-Glutamylleucine
ME513620
-
-
6.940187892
-
PI(16:0/18:1)
PI 16:0/18:1
ME513834
-
C13888_C00626
7.008100892
-
PC(MonoMe(11,3)/MonoMe(11,3))
-
ME513835
-
-
7.011532395
-
Phenyl acetate
Phenyl acetate
ME513495
-
C00548_C15583
7.229587902
-
Phenol
Phenol
ME513464
-
C15584_C00146
7.314396945
-
Eucaglobulin
-
ME513606
-
-
7.571324227
-
Hippuric acid
Hippuric acid
ME513536
-
C01586
7.643730037
-
Genipinic acid
-
ME513595
-
-
7.733321982
-
Embelin
Embelin
ME513658
-
C10342
7.752066595
-
2-Decaprenyl-3-methyl-6-methoxy-1,4-benzoquinone
-
ME513838
-
-
7.772839992
-
Scytalone
Scytalone
ME513551
-
C00779
7.786972
-
Isoleucyl-Valine
Ile-Val
ME513586
-
-
7.79534613
-
Leucyl-Leucine
Leu-Leu
ME513601
-
C11332
7.80207258
-
Apiole
Apiole
ME513579
-
C10429
7.80870759
-
PA(P-42:4)
PA P-42:4
ME513810
-
-
7.814154828
-
FA oxo(9:0) oxo-nonanoic acid
Oxononanoic acid
ME513525
-
-
7.838918212
-
Phenolsulfonphthalein
Phenolsulfonphthalein
ME513707
-
C12600
7.840600953
-
Phenylacetic acid
Phenylacetic acid
ME513492
-
C07086
7.842769738
-
Alpha-Ketooctanoic acid
-
ME513512
-
-
7.843048488
-
Valeric acid
Valeric acid
ME513471
-
C00803
7.849275023
-
2-Phenylethyl beta-D-glucopyranoside
-
ME513648
-
-
7.850435615
-
Dihydro-4,4-dimethyl-2,3-Furandione
2-Dehydropantolactone
ME513485
-
C01125
7.85133637
-
Pilosine
-
ME513650
-
C10610
7.851661145
-
Trigonelline
Trigonelline
ME513496
-
C01004
7.853941668
-
Salidroside
4-Hydroxyphenyl-2-ethylglucopyranoside
ME513667
-
C06046
7.854963525
-
Isoleucyl-Threonine
Ile-Thr
ME513588
-
-
7.857934302
-
Phenylalanyl-Glycine
Phe-Gly
ME513580
-
-
7.858837292
-
Isoleucyl-Alanine
Ile-Ala
ME513560
-
-
7.85895516
-
2-Ketobutyric acid
3-Methyl pyruvic acid
ME513470
-
C00109
7.864145475
-
3-Hydroxyhexobarbital
3'-Hydroxyhexobarbital
ME513608
-
C03068
7.870468618
-
Histidinyl-Leucine
His-Leu
ME513631
-
C05010
7.874898993
-
Phenylalanyl-Threonine
Phe-Thr
ME513627
-
-
7.878784827
-
PE(31:4)
PE 31:4
ME513787
-
-
7.883562322
-
Ala/Gly/Tyr
Ala-Gly-Tyr
ME513679
-
-
7.891415745
-
Ala/Glu/Ile/Ser
-
ME513733
-
-
7.893279203
-
1-thio--D-glucose
-
ME513552
-
-
8.083804603
-
Indoleacrylic acid
Indoleacrylic acid
ME513543
-
-
8.816930587
-
Ile/Ala/Ser
Ile-Ala-Ser
ME513652
-
-
9.045550052
-
Lactic acid
Lactic acid
ME513462
-
C00186_C00256
9.067774177
-
Gly/Lys/Arg/Arg/Val
-
ME513781
-
-
9.217522345
-
N6-Acetyl-N6-hydroxy-L-lysine
N(6)-Acetyl-N(6)-hydroxy-lysine
ME513564
-
C03955
9.274234338
-
Neuromedin B (1-3)
-
ME513673
-
-
9.31634306
-
Asp/Met/Phe/Ser
-
ME513755
-
-
9.638504707
-
Orotic acid
Orotic acid
ME513510
-
C00295
9.67608247
-
6,7-Dihydroxy-5,4'-dimethoxy-flavylium
-
ME513666
-
-
9.691799023
-
Uracil
Uracil
ME513474
-
C00106
9.902006715
-
Ala/Met/Met/Met
-
ME513747
-
-
9.90825303
-
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