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Return to study ST000242 main page
Analysis: C18 ESI positive ion mode
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
5-Aminopentanoic acid
5-Aminopentanoic acid
ME699956
138
C00431
0.9469981
-
Creatinine
Creatinine
ME699957
588
C00791
1.0129975
-
acetohydroxamic acid
Acetohydroxamic acid
ME699968
1990
C06808
5.0889664
-
allopurinol
Allopurinol
ME699969
2094
C06816
1.3339959
-
Penicillin G
Penicillin G
ME699965
5904
C05551
4.5919733
-
Cytarabine
Cytarabine
ME699962
6253
C02961
1.3199967
-
Diethylene glycol
Diethylene glycol
ME699988
8117
C14689
1.6169953
-
Dodecanedioic acid
Dodecanedioic acid
ME699961
12736
C02678
10.58295
-
6-Methoxyquinoline
6-Methoxyquinoline
ME700012
14860
-
3.5809827
-
Streptomycin
Streptomycin
ME699955
19649
C00413
0.7619984
-
Daunorubicin
Daunorubicin
ME699959
30323
C01907
7.111953
-
Saxitoxin
Saxitoxin
ME699987
37165
C13757
5.0239697
-
Enilconazole
Enilconazole
ME699995
37175
C18739
1.5929952
-
2(N)-Methyl-norsalsolinol
2(N)-Methyl-norsalsolinol
ME700000
37764
-
5.0239697
-
Cabergoline
Cabergoline
ME699972
54746
C08187
5.685963
-
3-Guanidinopropanoate
3-Guanidinopropanoic acid
ME699964
67701
C03065
0.9879973
-
Phenylacetylglycine
Phenylacetylglycine
ME699966
68144
C05598
5.0889688
-
Actinidine
Actinidine
ME699977
68231
C09910
0.9369979
-
Solamargine
Solamargine
ME699981
73611
C10819
6.009961
-
2-Hydroxyadenine
2-Hydroxyadenine
ME700003
76900
-
1.3229964
-
Diacetoxyscirpenol
Diacetoxyscirpenol
ME699976
91518
C09662
5.932962
-
5-Methylcytidine
5-Methylcytidine
ME700010
92918
-
0.904998
-
4-Chloromethandienone
4-Chloromethandienone
ME700007
98521
-
1.384996
-
D-Proline
D-Proline
ME699991
145742
C16435
4.429972
-
5-Hydroxyisourate
5-Hydroxyisouric acid
ME699984
250388
C11821
0.8979982
-
3-oxo-dodecanoic acid
3-Oxododecanoic acid
ME699960
439717
C02367
8.86794
-
Delcosine
Delcosine
ME699973
441725
C08676
6.275945
-
Cimicifugoside
Cimicifugoside
ME699974
441913
C08935
5.617964
-
5-O-Methylvisamminol
5-O-Methylvisamminol
ME699975
441970
C09016
8.767945
-
(-)-Hygroline
Hygroline
ME699978
442642
C10152
4.127977
-
Auriculine
Auriculine
ME699979
442714
C10280
5.3879595
-
Calystegin B2
Calystegin B2
ME699982
443000
C10851
0.7719983
-
Bispyribac
Bispyribac
ME699994
443031
C18453
5.0879674
-
Isoalangiside
Isoalangiside
ME699983
443420
C11815
6.776955
-
8,9,16-trihydroxy palmitic acid
8,9,16-Trihydroxypalmitic acid
ME700013
5282936
-
11.154945
-
Mycinamicin IV
Mycinamicin IV
ME699997
6447311
C18846
5.8009634
-
Mycobactin S
Mycobactin S
ME699985
6536775
C12216
6.0819607
-
Erythromycin B
Erythromycin B
ME699967
9918244
C06653
5.900962
-
Elloramycin A
Elloramycin A
ME699986
10009567
C12381
5.967962
-
Burseran
Burseran
ME699980
11101102
C10547
9.3579445
-
Taurohyocholic acid
Taurohyocholic acid
ME699989
11954195
C15516
5.229966
-
(-)-11-hydroxy-9,10-dihydrojasmonic acid
11-Hydroxy-9,10-dihydrojasmonic acid
ME699998
11966225
-
8.991943
-
Paratocarpin F
Paratocarpin F
ME700028
15200528
-
0.7739985
-
Pyrrhoxanthin
Pyrrhoxanthin
ME700035
16061186
-
6.10796
-
4-Oxomytiloxanthin
4-Oxomytiloxanthin
ME700008
16061213
-
6.1659603
-
Dalfopristin
Dalfopristin
ME699971
21943991
C08033
1.5889953
-
3-O-acetylecdysone 2-phosphate
3-O-Acetylecdysone 2-phosphate
ME700006
23657836
-
0.85299844
-
Nevadensin 5-gentiobioside
Nevadensin 5-gentiobioside
ME700027
44258632
-
6.472959
-
Quercetin 3-(6''-malonylglucoside)-7-glucoside
-
ME700036
44259308
-
4.5929737
-
3'-Amino-3'-deoxy-AMP
3'-Amino-3'-deoxy-AMP
ME699970
46173764
C07026
5.96996
-
6'''-Deamino-6'''-dehydro-6'''-oxoneomycin C
6'''-Oxoneomycin C
ME699993
46173952
C17589
0.7719981
-
Ascorbyl Palmitate
Ascorbyl palmitate
ME700017
54676825
-
5.495966
-
2-Amino-3-methyl-1-butanol
-
ME700001
-
-
0.93599784
-
2-hexacosanamidoethanesulfonic acid
-
ME700002
-
-
12.141953
-
2-Hydroxyiminodibenzyl glucuronide
-
ME700004
-
-
3.9709787
-
2-tetracosanamidoethanesulfonic acid
-
ME700005
-
-
11.160939
-
4-Methylene-L-glutamine
4-Methylene-glutamine
ME699958
-
C01109
0.93099785
-
5,7,8-Trihydroxy-3-methoxyflavone 8-((E)-2-methylb...
-
ME700009
-
-
0.915998
-
6-Hydroxytricetin 6,7,3',5'-tetramethyl eter 5-rob...
-
ME700011
-
-
5.3979645
-
8'-Hydroxydihydroergotamine
-
ME700014
-
-
0.76299846
-
Ala Trp Trp
Ala-Trp-Trp
ME700015
-
-
7.599947
-
AM1172
-
ME700016
-
-
11.174946
-
Asn Phe Met
Asn-Phe-Met
ME700018
-
-
5.3869624
-
Citiolone
-
ME700019
-
-
5.3119664
-
Cyclopiazonic Acid
alpha-Cyclopiazonic acid
ME699963
-
C03032
7.95595
-
Cys Phe Arg
Cys-Phe-Arg
ME700020
-
-
0.76899827
-
Digitoxigenin bisdigitoxoside
-
ME700021
-
-
5.6909637
-
?Ethanolamine
Ethanolamine
ME699953
-
C00189
5.0249677
-
FKGK 11
-
ME700022
-
-
4.938969
-
Kanokoside D
-
ME699992
-
C17431
0.8579985
-
LysoPE(16:1(9Z)/0:0)
LPE 16:1(9Z)/0:0
ME700023
-
-
5.603965
-
Malyngamide J
-
ME700024
-
-
5.5709653
-
Methacrifos
-
ME699996
-
C18745
0.90799856
-
Met-Trp-OH
-
ME700025
-
-
4.723971
-
(±)N-(1-methyl-2-hydroxy-2-phenyl-ethyl) arachido...
-
ME699999
-
-
12.171952
-
N-(4-benzenesulfonamide) arachidonoyl amine
-
ME700026
-
-
5.589964
-
PE(18:4(6Z,9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z))
PE 18:4(6Z,9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z)*
ME700029
-
-
5.3109674
-
PE(18:4(6Z,9Z,12Z,15Z)/20:4(8Z,11Z,14Z,17Z))
PE 18:4(6Z,9Z,12Z,15Z)/20:4(8Z,11Z,14Z,17Z)*
ME699954
-
C00350
6.513958
-
PE(19:0/0:0)
LPE 19:0/0:0
ME700030
-
-
5.8389626
-
PE(9:0/9:0)[U]
PE 9:0/9:0
ME700031
-
-
5.767963
-
PG(18:0/0:0)
LPG 18:0/0:0
ME700032
-
-
6.473936
-
PS(22:0/0:0)
LPS 22:0/0:0
ME700033
-
-
5.5279655
-
PS(O-16:0/22:0)
PS O-16:0/22:0
ME700034
-
-
13.414963
-
Tyrphostin B44 (-)
-
ME700037
-
-
5.386966
-
Westiellamide
-
ME699990
-
C15739
5.908962
-
Analysis: C18 ESI negative ion mode
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
D-(+)-Glyceraldehyde
Glyceraldehyde
ME700040
751
C00577
1.3720001
-
Glycolaldehyde
Glycolaldehyde
ME700042
756
C00266
0.9330001
-
Penicillin G
Penicillin G
ME700046
5904
C05551
4.612
-
Phenylacetylglycine
Phenylacetylglycine
ME700048
68144
C05598
5.1129994
-
Cystathionine ketimine
Cystathionine ketimine
ME700039
135905
-
0.95299983
-
Camoensine
Camoensine
ME700038
442946
C10758
5.333001
-
F-Honaucin A
-
ME700041
-
-
1.3720001
-
Kaempferol 3-sophoroside-7-(2''-ferulylglucoside)
-
ME700043
-
-
5.9550014
-
N-Succinyl-L-diaminopimelic acid
N-Succinyl-L,L-2,6-diaminopimelate
ME700044
-
C04421
4.612
-
Oxonitine
-
ME700045
-
-
0.77799994
-
Penicilloic G acid
-
ME700047
-
C16672
5.4079995
-
Tyrphostin B44 (-)
-
ME700049
-
-
5.4069996
-
Analysis: HILIC ESI positive ion mode
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
5-Aminopentanoic acid
5-Aminopentanoic acid
ME700065
138
C00431
6.6350765
-
Adenine
Adenine
ME700051
190
C00147
3.4410365
-
Creatine
Creatine
ME700060
586
C00300
6.9990788
-
Creatinine
Creatinine
ME700069
588
C00791
3.9950464
-
Cytosine
Cytosine
ME700062
597
C00380
3.9680521
-
Ethanolamine
Ethanolamine
ME700055
700
C00189
1.2610055
-
Guanine
Guanine
ME700057
764
C00242
2.7660432
-
Hypoxanthine
Hypoxanthine
ME700059
790
C00262
2.6150239
-
Niacinamide
Niacinamide
ME700052
936
C00153
1.6000106
-
Phenylpyruvic acid
Phenylpyruvic acid
ME700053
997
C00166
5.8450704
-
Pyrroline hydroxycarboxylic acid
Pyrroline hydroxycarboxylic acid
ME700094
1059
C04281
6.795077
-
Sarcosine
Sarcosine
ME700056
1088
C00213
7.0070825
-
Trimethylamine
Trimethylamine
ME700067
1146
C00565
5.788064
-
UDP-N-acetylmuraminate
UDP-N-acetylmuramic acid
ME700072
1169
C01050
6.563081
-
acetohydroxamic acid
Acetohydroxamic acid
ME700110
1990
C06808
3.1670275
-
Disulfiram
Disulfiram
ME700080
3117
C01692
7.2500787
-
Glafenine
Glafenine
ME700189
3474
D01351
0.9880039
-
Khellin
Khellin
ME700130
3828
C09010
2.4070208
-
Phosphinothricin
Phosphinothricin
ME700098
4794
C05042
7.432081
-
Serotonin
Serotonin
ME700068
5202
C00780
3.3700352
-
Sulfamerazine
Sulfamerazine
ME700284
5325
-
6.3750854
-
Penicillin G
Penicillin G
ME700100
5904
C05551
6.583076
-
L-Leucine
Leucine
ME700050
6106
C00123
5.8470707
-
Cytarabine
Cytarabine
ME700086
6253
C02961
3.8880432
-
L-Isoleucine
Isoleucine
ME700063
6306
C00407
5.77207
-
Isoprene
Isoprene
ME700173
6557
C16521
5.8480706
-
Isobutyronitrile
Isobutyronitrile
ME700083
6559
C02420
4.8970585
-
?-Caprolactam
Epsilon-caprolactam
ME700108
7768
C06593
4.3120027
-
Piperidine
Piperidine
ME700081
8082
C01746
5.77207
-
3-Indolebutyric acid
3-Indolebutyric acid
ME700150
8617
C11284
1.1840049
-
Deoxycytidine
Deoxycytidine
ME700071
13711
C00881
3.9760466
-
Deoxyadenosine
Deoxyadenosine
ME700066
13730
C00559
2.2330186
-
11-amino-undecanoic acid
11-Aminoundecanoic acid
ME700186
17083
C19325
5.0610623
-
n-Pentadecylamine
N-Pentadecylamine
ME700245
17386
-
3.895043
-
Streptomycin
Streptomycin
ME700064
19649
C00413
5.7160697
-
Azatadine
Azatadine
ME700116
19861
C07774
1.170006
-
Daunorubicin
Daunorubicin
ME700082
30323
C01907
5.537068
-
Paraldehyde
Paraldehyde
ME700117
31264
C07834
2.1550171
-
Tributyl phosphate
Tributyl phosphate
ME700161
31357
C14439
1.0600051
-
Pirimicarb
Pirimicarb
ME700149
31645
C11079
2.1540172
-
Amoxicillin
Amoxicillin
ME700111
33613
C06827
1.467007
-
cefoperazone
Cefoperazone
ME700112
44185
C06883
6.3870754
-
Phenylacetylglycine
Phenylacetylglycine
ME700101
68144
C05598
3.167032
-
Aridanin
Aridanin
ME700127
73146
C08922
1.2030063
-
dIMP
dIMP
ME700105
91531
C06196
6.346075
-
Pencycuron
Pencycuron
ME700147
91692
C11012
5.77107
-
Sativic acid
Sativic acid
ME700282
92800
-
1.1370058
-
5-Acetylamino-6-formylamino-3-methyluracil
5-Acetylamino-6-formylamino-3-methyluracil
ME700171
108214
C16365
5.5190663
-
Queuine
Queuine
ME700077
114881
C01449
7.0460796
-
ADMA
Dimethylarginine
ME700092
123831
C03626
8.566074
-
D-Proline
D-Proline
ME700172
145742
C16435
7.391088
-
Lucidine B
Lucidine B
ME700138
156059
C09869
1.1240058
-
N4-Acetylsulfadoxine
N4-Acetylsulfadoxine
ME700237
160773
-
3.4240367
-
1-(alpha-Methyl-4-(2-methylpropyl)benzeneacetate)-...
-
ME700088
163959
C03033
1.54601
-
5-O-Methylembelin
5-O-Methylembelin
ME700143
171489
C10373
1.1370058
-
Pyrromycin
Pyrromycin
ME700280
196990
-
5.9960537
-
Parillin
Parillin
ME700125
197977
C08906
0.989
-
5?-Deoxy-5?-(methylthio)adenosine
5'-Methylthioadenosine
ME700054
439176
C00170
1.9760152
-
Streptidine
Streptidine
ME700070
439323
C00837
8.240077
-
Ouabain
Ouabain
ME700076
439501
C01443
8.502076
-
Lithocholic acid taurine conjugate
Taurolithocholic acid
ME700084
439763
C02592
1.5390099
-
Guanidinosuccinic Acid
Guanidinosuccinic acid
ME700089
439918
C03139
5.8470707
-
5-Amino-1-ribofuranosylimidazole-4-carboxyamide
5-Amino-1-Ribofuranosylimidazole-4-carboxyamide
ME700096
440429
C04663
6.346075
-
Netilmicin
Netilmicin
ME700115
441306
C07657
4.2590494
-
Septentriodine
Septentriodine
ME700121
441717
C08668
1.0780053
-
gypsogenin 3-O-rhamnosylglucosiduronic acid
Gypsogenin 3-O-rhamnosylglucosiduronic acid
ME700129
441927
C08952
1.084004
-
5-O-Methylvisamminol
5-O-Methylvisamminol
ME700131
441970
C09016
1.0360061
-
Ingenol 3,20-dibenzoate
Ingenol 3,20-dibenzoate
ME700132
442043
C09113
5.995072
-
Oxolucidine B
Oxolucidine B
ME700139
442493
C09891
1.1870064
-
Boschniakine
Boschniakine
ME700140
442507
C09915
1.2690051
-
(-)-Hygroline
Hygroline
ME700142
442642
C10152
4.913059
-
Bispyribac
Bispyribac
ME700182
443031
C18453
3.1710322
-
Isoalangiside
Isoalangiside
ME700153
443420
C11815
5.0050645
-
3-Buten-1-amine
3-Buten-1-amine
ME700154
443732
C12244
8.301076
-
Jadomycin B
Jadomycin B
ME700156
443806
C12395
5.7620697
-
sn-glycero-3-Phosphoethanolamine
sn-Glycero-3-phosphoethanolamine
ME700075
444183
C01233
3.169033
-
Prorepensin
Prorepensin
ME700264
636780
-
8.293082
-
Nizatidine
Nizatidine
ME700113
3033637
C07270
3.7880418
-
Orlistat
Orlistat
ME700247
3034010
-
1.000007
-
Rescinnamine
Rescinnamine
ME700107
5280954
C06540
5.770069
-
Dehydrofalcarinone
Dehydrofalcarinone
ME700120
5281145
C08445
8.4350815
-
Trichotomine
Trichotomine
ME700134
5281412
C09247
4.35005
-
Orizabin
Orizabin
ME700136
5281491
C09521
4.3100495
-
Harpagoside
Harpagoside
ME700137
5281542
C09783
1.1450061
-
Amphibine B
Amphibine B
ME700141
5281582
C09998
0.97000426
-
Symlandine
Symlandine
ME700144
5281753
C10408
5.349067
-
Linoleoyl Ethanolamide
Linoleoyl-EA
ME700219
5283446
-
1.1190059
-
CerP(d18:1/18:0)
CerP 18:1;O2/18:0
ME700191
5283583
-
1.464009
-
CerP(d18:1/20:0)
CerP 18:1;O2/20:0
ME700192
5283584
-
1.5170095
-
Erythrono-1,4-lactone
Erythrono-1,4-lactone
ME700200
5325915
-
3.4420426
-
Spheroidene
Spheroidene
ME700169
6368932
C15900
1.261007
-
Helilandin B
Helilandin B
ME700209
6440432
-
6.7870793
-
Colnelenic acid
Colnelenic acid
ME700170
6441679
C16320
1.0040046
-
Erythromycin B
Erythromycin B
ME700109
9918244
C06653
5.4520664
-
Phenylbutyrylglutamine
Phenylbutyrylglutamine
ME700259
9943917
-
6.786084
-
Elloramycin A
Elloramycin A
ME700155
10009567
C12381
4.30605
-
Clindamycin phosphate
Clindamycin phosphate
ME700152
10346039
C11728
6.779078
-
Gymnemic acid I
Gymnemic acid I
ME700128
11953919
C08947
5.4940667
-
Chlorophyll a
Chlorophyll a
ME700099
12085802
C05306
6.1354523
-
Neopinone
Neopinone
ME700104
12313212
C06172
3.1480317
-
Pratensin A
Pratensin A
ME700263
15736235
-
5.807072
-
Chlorophyllide b
Chlorophyllide b
ME700174
15775275
C16541
5.8840313
-
Coumarin
Coumarin
ME700103
18327169
C05851
5.8600707
-
Butyric acid
Butyric acid
ME700058
20975673
C00246
2.1540172
-
Haplanthin
Haplanthin
ME700208
42607841
-
3.8930435
-
Sphingofungin D
Sphingofungin D
ME700283
42608380
-
1.4270089
-
Neobanone
Neobanone
ME700241
44257409
-
2.7640257
-
Luteolin 7,3'-digalacturonide
Luteolin 7,3'-digalacturonide
ME700220
44258092
-
6.548078
-
Quercetin 3-(6''-malonylglucoside)-7-glucoside
-
ME700281
44259308
-
6.5800776
-
Myricetin 3-glucuronide
Myricetin 3-glucuronide
ME700234
44259442
-
2.8640275
-
Patuletin 3-(6''-(E)-feruloylglucoside)
Patuletin 3-(6''-(E)-feruloylglucoside)
ME700249
44259850
-
4.3020372
-
Ferroxamine
Ferroxamine
ME700114
46173771
C07597
1.1490066
-
Dinor-PGD2
Dinor-PGD2
ME700199
52921879
-
1.0210049
-
LacCer(d18:0/26:0)
LacCer 18:0;O2/26:0
ME700216
52931269
-
1.1450026
-
Tricetin 3'-methyl ether 7,5'-diglucuronide
-
ME700285
70698919
-
6.5570765
-
14-Deacetylnudicauline
-
ME700122
-
C08673
1.0120047
-
1'H-5alpha-Cholest-2-eno[3,2-b]indole
-
ME700166
-
C15445
1.1950065
-
20,21,21-Trifluoro-3-methoxy-19-nor-17alpha-pregna...
-
ME700165
-
C15340
1.262007
-
3-(7'-Methylthio)heptylmalic acid
-
ME700176
-
C17231
5.9940724
-
4-Methylene-L-glutamine
4-Methylene-glutamine
ME700073
-
C01109
7.332079
-
5-Nitro-ortho-anisidine
2-Methoxy-5-nitroaniline
ME700187
-
C19469
6.790078
-
5-O-(Indol-3-ylacetyl-myo-inositol) D-galactoside
5-O-(Indol-3-ylacetyl)-myo-inositol D-galactoside
ME700097
-
C04695
5.8560705
-
6-Imino-5-oxocyclohexa-1,3-dienecarboxylate
-
ME700095
-
C04584
6.7910776
-
alpha,beta-Dihydroxyethyl-TPP
-
ME700158
-
C13378
6.5540776
-
Bz-Arg-OEt
Bz-Arg-OEt
ME700078
-
C01670
1.3060074
-
Caylin-2
-
ME700190
-
-
5.8660707
-
Chivosazole F
-
ME700167
-
C15733
5.0070605
-
Citiolone
-
ME700193
-
-
3.686053
-
Compound III(S)
Compound III(S)
ME700106
-
C06495
3.5880387
-
Cyclopiazonic Acid
alpha-Cyclopiazonic acid
ME700087
-
C03032
1.1110055
-
Cys Cys Ile
Cys-Cys-Ile
ME700194
-
-
1.5840102
-
DG(17:2(9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z)/0:0)[iso2]
DG 17:2(9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z)/0:0*
ME700195
-
-
0.9710047
-
D-Glucosyldihydrosphingosine
D-Glucosyldihydrosphingosine
ME700093
-
C03858
1.0030048
-
Dicyclohexyl phthalate
Dicyclohexyl phthalate
ME700162
-
C14529
1.0200045
-
Digitoxigenin bisdigitoxoside
-
ME700196
-
-
5.1410613
-
Diglycolic acid
-
ME700197
-
-
5.864077
-
Digoxigenin bisdigitoxoside
-
ME700198
-
-
8.518076
-
E3040 glucuronide
-
ME700151
-
C11595
5.882071
-
Enterochelin
-
ME700102
-
C05821
3.3840587
-
Ergine
-
ME700133
-
C09160
2.3190196
-
Fenbuconazole
-
ME700183
-
C18461
2.970029
-
Firocoxib
-
ME700181
-
C18363
6.7710776
-
FKGK 11
-
ME700201
-
-
4.7720585
-
Fortimicin A
Astromicin
ME700177
-
C17708
3.0520306
-
Fraxin
Fraxin
ME700135
-
C09266
0.9710047
-
Gal?1-3Gal?1-4GlcNAc?-Sp
-
ME700202
-
-
1.1660047
-
Gln Asn Glu
Gln-Asn-Glu
ME700203
-
-
6.346075
-
Gln Glu Lys
Gln-Glu-Lys
ME700204
-
-
1.1110055
-
Glucocerebrosides
-
ME700206
-
-
0.9710047
-
Glucosylceramide (d18:1/18:0)
GlcCer 18:1;O2/18:0
ME700074
-
C01190
1.0580056
-
Glu Met Trp
Glu-Met-Trp
ME700205
-
-
1.1690065
-
Gly Lys Phe
Gly-Lys-Phe
ME700207
-
-
1.3820081
-
Hexazinone
-
ME700146
-
C10926
1.6730117
-
His-Thr-OH
-
ME700210
-
-
5.84307
-
Homoserine lactone
Homoserine lactone
ME700085
-
C02926
6.7930875
-
Hydroxytetrabenazine glucuronide
-
ME700211
-
-
1.170006
-
ICI 164384
-
ME700164
-
C14758
1.369008
-
Ins-1-P-Cer(t18:0/26:0)
-
ME700212
-
-
3.0590303
-
Istamycin C
-
ME700179
-
C17995
1.4490087
-
Istamycin C1
-
ME700180
-
C17996
3.934044
-
IU1
-
ME700213
-
-
1.0270056
-
JWH 018 4-hydroxyindole metabolite
-
ME700214
-
-
3.6880405
-
Kinetin Riboside
-
ME700215
-
-
6.545079
-
Labriformidin
-
ME700123
-
C08870
1.0920056
-
Lankacidin C
-
ME700168
-
C15758
5.770069
-
Leoidin Dimethyl Ether
-
ME700217
-
-
6.556085
-
Leu Cys Phe
Leu-Cys-Phe
ME700218
-
-
2.972029
-
Lys Cys Asn
Lys-Cys-Asn
ME700221
-
-
2.6110234
-
Lys Ser Lys
Lys-Ser-Lys
ME700222
-
-
2.7350254
-
Lys Tyr Ile
Lys-Tyr-Ile
ME700223
-
-
1.1090075
-
Lys Val Lys
Lys-Val-Lys
ME700224
-
-
1.2850072
-
Malyngamide J
-
ME700225
-
-
4.9740596
-
Medermycin
-
ME700157
-
C12437
5.876071
-
Met Arg
Met-Arg
ME700226
-
-
7.4330792
-
Methoprene (S)
Methoprene
ME700160
-
C14308
1.003005
-
methyl 10,12,13,15-bisepidioxy-16-hydroperoxy-8E-o...
-
ME700227
-
-
1.0280057
-
?-Methyltryptamine (AMT)
-
ME700188
-
C20127
2.8940277
-
Met-Trp-OH
-
ME700228
-
-
6.8220787
-
MG(0:0/22:0/0:0)
MG 0:0/22:0/0:0*
ME700229
-
-
1.0440055
-
MID42085:(6RS)-6,19-epidioxy-24,24-difluoro-25-hyd...
-
ME700230
-
-
0.7490037
-
MID42333:24,24-difluoro-1?,25-dihydroxy-26,27-dime...
-
ME700231
-
-
1.0880055
-
MID42395:26,27-diethyl-1?,25-dihydroxy-22-thiavita...
-
ME700232
-
-
1.0840065
-
MID42466:11?-(4-dimethylaminophenyl)-1?,25-dihydro...
-
ME700233
-
-
1.1940064
-
N-(2-hydroxyethyl)henicosanamide
-
ME700235
-
-
3.886045
-
N-(3-pyridyl)-Indomethacin amide
-
ME700236
-
-
6.3440742
-
N-acyl capnines
-
ME700238
-
-
1.2110068
-
Naloxone-3-glucuronide
-
ME700239
-
-
1.0870054
-
Nap-Trp-OH
-
ME700240
-
-
2.4700222
-
Neu5Ac?2-6GalNAc?-Thr
-
ME700242
-
-
2.870027
-
N-Formylmethionylphenylalanine
-
ME700243
-
-
3.5560377
-
Nitrothal-isopropyl
-
ME700184
-
C18873
2.433021
-
N-methylundec-10-enamide
-
ME700244
-
-
1.1840063
-
N,N-Dimethyltryptamine (DMT)
Dimethyltryptamine
ME700118
-
C08302
2.8850272
-
NS 1619
NS 1619
ME700159
-
C13833
5.5200663
-
Oleoyl-EA(d2)
Oleoyl-EA
ME700246
-
-
1.0860056
-
Ornaline
Nopalinic acid
ME700079
-
C01683
3.3930357
-
Oxotolrestat glucuronide
-
ME700248
-
-
5.858073
-
PE(14:0/22:2(13Z,16Z))
PE 14:0/22:2(13Z,16Z)*
ME700061
-
C00350
2.34802
-
PE(17:1(9Z)/18:0)
PE 17:1(9Z)/18:0*
ME700250
-
-
1.7820128
-
PE(17:2(9Z,12Z)/20:0)
PE 17:2(9Z,12Z)/20:0*
ME700251
-
-
1.4360087
-
Penicilloic G acid
-
ME700175
-
C16672
5.91507
-
PE-NMe(18:0/18:0)[U]
PE-NMe (18:0/18:0)*
ME700255
-
-
1.8480134
-
PE(O-16:0/17:0)
PE O-16:0/17:0
ME700252
-
-
1.6770116
-
PE(P-16:0/19:0)
PE P-16:0/19:0
ME700253
-
-
1.652011
-
PE(P-18:1(11Z)/15:0)
PE P-18:1(11Z)/15:0*
ME700254
-
-
1.5740103
-
Peucenin
-
ME700256
-
-
1.4840093
-
PG(20:5(5Z,8Z,11Z,14Z,17Z)/0:0)
PG 20:5(5Z,8Z,11Z,14Z,17Z)/0:0*
ME700257
-
-
0.9950049
-
Phaseolotoxin
Phaseolotoxin
ME700119
-
C08440
5.84307
-
Phe4Cl-His-OH
-
ME700258
-
-
6.5470867
-
Phosphatidyl glycerol
sn-Glycero-3-phosphoglycerol
ME700090
-
C03274
2.7710257
-
p-Hydroxypropoxyphene
-
ME700260
-
-
8.559074
-
PI(19:1(9Z)/0:0)
PI 19:1(9Z)/0:0*
ME700261
-
-
4.976059
-
PI(20:4(5Z,8Z,11Z,14Z)/0:0)
PI 20:4(5Z,8Z,11Z,14Z)/0:0*
ME700262
-
-
0.97800475
-
Prothioconazole
-
ME700185
-
C18888
6.547088
-
PS(12:0/14:0)
PS 12:0/14:0*
ME700265
-
-
5.1410613
-
PS(15:1(9Z)/14:1(9Z))
PS 15:1(9Z)/14:1(9Z)*
ME700266
-
-
3.466037
-
PS(18:1(9Z)/16:1(9Z))
PS 18:1(9Z)/16:1(9Z)*
ME700267
-
-
5.0370607
-
PS(18:3(6Z,9Z,12Z)/19:1(9Z))
PS 18:3(6Z,9Z,12Z)/19:1(9Z)*
ME700268
-
-
1.0970054
-
PS(20:0/20:1(11Z))
PS 20:0/20:1(11Z)*
ME700269
-
-
1.7250121
-
PS(20:1(11Z)/0:0)
PS 20:1(11Z)/0:0
ME700270
-
-
6.3030744
-
PS(22:0/20:2(11Z,14Z))
PS 22:0/20:2(11Z,14Z)*
ME700271
-
-
2.3420196
-
PS(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/19:0)
PS 22:6(4Z,7Z,10Z,13Z,16Z,19Z)/19:0*
ME700272
-
-
5.936085
-
Pseudopelletierine
psi-Pelletierine
ME700145
-
C10865
1.2190067
-
PS(O-16:0/12:0)
PS O-16:0/12:0
ME700273
-
-
1.3620079
-
PS(O-16:0/13:0)
PS O-16:0/13:0
ME700274
-
-
1.1620063
-
PS(O-16:0/20:1(11Z))
PS O-16:0/20:1(11Z)
ME700275
-
-
1.9980154
-
PS(O-16:0/22:0)
PS O-16:0/22:0
ME700276
-
-
2.069016
-
PS(O-18:0/12:0)
PS O-18:0/12:0
ME700277
-
-
4.8990593
-
PS(P-16:0/22:1(11Z))
PS P-16:0/22:1(11Z)*
ME700278
-
-
1.5430098
-
PS(P-20:0/17:1(9Z))
PS P-20:0/17:1(9Z)*
ME700279
-
-
2.7420256
-
Rifamycin S
-
ME700163
-
C14540
5.9940724
-
Sannamycin A
-
ME700178
-
C17710
1.5060107
-
Spectinomycin adenylate
-
ME700091
-
C03580
0.9700045
-
THTC
Tetrahydrothiophene-2-carboxylic acid
ME700148
-
C11074
5.8570704
-
Trp-Lys-OH
-
ME700286
-
-
3.9680448
-
Tyr Asp His
Tyr-Asp-His
ME700287
-
-
5.9920716
-
Tyr Glu Glu
Tyr-Glu-Glu
ME700288
-
-
5.9970713
-
Tyrphostin B44 (-)
-
ME700291
-
-
4.30705
-
Tyr Thr Lys
Tyr-Thr-Lys
ME700289
-
-
2.8100266
-
Tyr Val Phe
Tyr-Val-Phe
ME700290
-
-
1.1110061
-
Uscharidin
-
ME700124
-
C08883
1.1510063
-
V-PYRRO/NO
-
ME700292
-
-
8.281087
-
Yamogenin 3-O-neohesperidoside
-
ME700126
-
C08919
5.4690666
-
Analysis: HILIC ESI negative ion mode
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
4-Hydroxybenzaldehyde
4-Hydroxybenzaldehyde
ME700300
126
C00633
1.1249993
-
Taurine
Taurine
ME700296
1123
C00245
5.327975
-
Uracil
Uracil
ME700293
1174
C00106
3.5559883
-
Acyclovir
Aciclovir
ME700311
2022
C06810
3.7229872
-
Thiorphan
Thiorphan
ME700302
3132
C01619
3.721987
-
Prochlorperazine
Prochlorperazine
ME700313
4917
C07403
3.1499927
-
Thymidine
Thymidine
ME700295
5789
C00214
1.5649977
-
Penicillin G
Penicillin G
ME700308
5904
C05551
6.793963
-
Uridine
Uridine
ME700297
6029
C00299
2.212995
-
Cytarabine
Cytarabine
ME700304
6253
C02961
4.097984
-
1-Hydroxy-2-naphthoic acid
1-Hydroxy-2-naphthoate
ME700307
6844
C03203
0.84399945
-
Deoxycytidine
Deoxycytidine
ME700301
13711
C00881
4.1869845
-
2'-Deoxyuridine
Deoxyuridine
ME700298
13712
C00526
1.6269974
-
Chondroitin sulfate
Chondroitin sulfate
ME700299
24766
C00607
3.8619857
-
Oryzalin
Oryzalin
ME700325
29393
C18877
4.4469814
-
Iprobenfos
Iprobenfos
ME700321
33294
C15230
1.5629978
-
Diclobutrazol
Diclobutrazol
ME700316
53309
C11235
2.5739934
-
Phenylacetylglycine
Phenylacetylglycine
ME700309
68144
C05598
3.14799
-
Nicotinamide N-oxide
Nicotinamide N-oxide
ME700335
72661
-
2.6399932
-
dTDP-D-galacturonate
dTDP-D-galacturonate
ME700306
439883
C03034
6.2739663
-
Camoensine
Camoensine
ME700314
442946
C10758
4.444982
-
Fumaric acid
Fumaric acid
ME700294
444972
C00122
3.7079866
-
Ribothymidine
Ribothymidine
ME700323
445408
C16744
1.4959981
-
4-Bromophenylthiourea
4-Bromophenylthiourea
ME700320
2735620
C14644
1.6309993
-
Glutaconic acid
Glutaconic acid
ME700303
5280498
C02214
1.6279975
-
griseorhodin A
Griseorhodin A
ME700318
5282051
C12048
6.793961
-
Erythrono-1,4-lactone
Erythrono-1,4-lactone
ME700328
5325915
-
1.8339967
-
Cefuroxime
Cefuroxime
ME700312
5479529
C06894
6.806961
-
Oxolinic Acid
Oxolinicacid
ME700317
18972857
C11342
6.0469646
-
Dihydroneopterin phosphate
Dihydroneopterin phosphate
ME700310
24771767
C05925
2.0959957
-
Triphyllin B
Triphyllin B
ME700341
44257135
-
3.3719893
-
Pectolinarigenin 7-(4'''-acetylrutinoside)
-
ME700336
44258443
-
3.8519862
-
Jaceidin 7-neohesperidoside
Jaceidin 7-neohesperidoside
ME700331
44259822
-
7.007959
-
3,3'-Dichloro-4,4'-diaminodiphenyl ether
-
ME700326
-
C19226
1.5479975
-
3,5-Dinitroguaiacol
-
ME700324
-
C17101
3.7119868
-
4-Acetamido-2-amino-6-nitrotoluene
-
ME700322
-
C16420
7.486961
-
Cyclopiazonic Acid
alpha-Cyclopiazonic acid
ME700305
-
C03032
1.1669987
-
Decarbamoylgonyautoxin 1
-
ME700327
-
C20022
3.8229861
-
F-Honaucin A
-
ME700329
-
-
3.494988
-
Gly Asp Asp
Gly-Asp-Asp
ME700330
-
-
1.5639981
-
L-4-Hydroxy-3-methoxy-a-methylphenylalanine
-
ME700332
-
-
1.3399982
-
Lys Trp Lys
Lys-Trp-Lys
ME700333
-
-
1.321999
-
Methyl oxalate
-
ME700315
-
C10900
1.8339967
-
N-Formylmethionylphenylalanine
-
ME700334
-
-
3.6939867
-
Phe4Cl-Ser-OH
-
ME700337
-
-
3.8519878
-
Phenolsulfonphthalein
Phenolsulfonphthalein
ME700319
-
C12600
1.4039984
-
p-Hydroxyprimidone
p-Hydroxyprimidone
ME700338
-
-
4.448981
-
Sericetin Diacetate
-
ME700339
-
-
3.8349857
-
Tranylcypromine glucuronide
-
ME700340
-
-
6.3009663
-
UCSD Metabolomics Workbench, a resource sponsored by the Common Fund of the National Institutes of Health
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