Log in
/
Register
Home
Overview
Upload / Manage Studies
Browse / Search Studies
Analyze Studies
Data Sharing Policy
Tutorials
FAQ
Data Repository
Overview
Upload / Manage Studies
Browse / Search Studies
Analyze Studies
Data Sharing Policy
Tutorials
FAQ
Databases
Overview
Metabolite Database
Human Metabolome Gene/Protein Database (MGP)
RefMet: Reference List of Metabolite Names
External Metabolomics Databases (Links)
Protocols
Overview
General Protocols
Study-specific Protocols
Tools
Overview
Load and analyze your own dataset
Analyze Studies
MS Searches
Structure drawing
REST Service
External Tools (Links)
About
Overview
Publishing Partners
How to Cite
How to Link
Terms of Use
Personnel
Contact
Sitemap
Search
Keyword Search
Advanced Searches
Return to study ST000695 main page
Analysis: Reversed phase NEGATIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
(S)-3-METHYL-2-OXOPENTANOATE (CAS# 1460-34-0); (M-...
3-Methyl-2-oxovaleric acid
ME195594
47
-
4.32
130.0629
ALPHA-KETO-GLUTARATE (CAS# 328-50-7); (M-H)-
2-Oxoglutaric acid
ME195655
51
-
0.929
146.0222
4-METHYL-2-OXOPENTANOATE (CAS# 816-66-0); (M-H)-
Ketoleucine
ME195636
70
-
4.727
130.063
4-METHYL-2-OXOVALERIC ACID (CAS# 816-66-0); (M-H)-
Ketoleucine
ME195637
70
-
4.727
130.063
3-HYDROXYBENZALDEHYDE (CAS# 100-83-4); (M-H)-
3-Hydroxybenzaldehyde
ME195623
101
-
5.008
122.0371
4-HYDROXYBENZALDEHYDE (CAS# 123-08-0); (M-H)-
4-Hydroxybenzaldehyde
ME195633
126
-
5.01
122.0371
4-HYDROXYPHENYLACETATE (CAS# 156-38-7); (M-H)-
4-Hydroxyphenyl acetate
ME195635
127
-
4.895
152.0465
4-HYDROXYBENZOATE (CAS# 99-96-7); (M-H)-
4-Hydroxybenzoic acid
ME195634
135
-
4.135
138.031
ADIPIC ACID (CAS# 124-04-9 ); (M-H)-
Adipic acid
ME195651
196
-
3.626
146.058
L-[15N]ANTHRANILIC ACID [ISTD] (CAS# ); (M-H)-
2-Aminobenzoic acid
ME195755
227
-
5.415
138.0445
BENZALDEHYDE (CAS# 100-52-7); (M+HCOO)-
Benzaldehyde
ME195662
240
-
4.895
106.041
BENZOATE (CAS# 65-85-0); (M-H)-
Benzoic acid
ME195663
243
-
5.624
122.037
CATECHOL (CAS# 120-80-9); (M-H)-
Pyrocatechol
ME195671
289
-
2.501
110.0368
CELLOBIOSE (CAS# 528-50-7); (M+CL)-
Cellobiose
ME195672
294
-
0.699
342.1164
CITRATE (CAS# 77-92-9); (M-H)-
Citric acid
ME195680
311
-
1.052
192.0277
SALICYLATE (CAS# 69-72-7); (M-H)-
Salicylic acid
ME195821
338
-
8.284
138.0316
(2-AMINOETHYL)PHOSPHONATE (CAS# 2041-14-7); (M-H)-
Ciliatine
ME195593
339
-
0.998
125.023
4-NITROPHENYL PHOSPHATE (CAS# 330-13-2); (M-H)-
4-Nitrophenyl phosphate
ME195640
378
-
2.568
218.9921
HIPPURATE (CAS# 495-69-2); (M-H)-
Hippuric acid
ME195731
464
-
4.842
179.058
METHYLMALONATE (CAS# 516-05-2); (M-H)-
Methylmalonic acid
ME195771
487
-
1.348
118.0268
HOMOGENTISATE (CAS# 451-13-8); (M-H)-
Homogentisic acid
ME195732
780
-
2.53
168.0425
HYPOXANTHINE (CAS# 68-94-0); (M-H)-
Hypoxanthine
ME195734
790
-
1.002
136.0375
INDOLE-3-ACETATE (CAS# 87-51-4); (M-H)-
Indoleacetic acid
ME195739
802
-
8.468
175.062
ITACONATE (CAS# 97-65-4); (M-H)-
Itaconic acid
ME195744
811
-
1.798
130.0278
3-(2-HYDROXYPHENYL)PROPANOATE (CAS# 495-78-3); (M-...
3-(2-Hydroxyphenyl)propanoic acid
ME195619
873
-
7.922
166.0634
4-NITROPHENOL (CAS# 100-02-7); (M-H)-
4-Nitrophenol
ME195639
980
-
7.106
139.0268
PALMITATE (CAS# 57-10-3); (M-H)-
Palmitic acid
ME195800
985
-
22.895
256.2405
PHENYL ACETATE (CAS# 122-79-2); (M+HCOO)-
Phenyl acetate
ME195805
999
-
3.848
136.0517
PHTHALATE (CAS# 88-99-3); (M-H)-
Phthalic acid
ME195807
1017
-
5.418
166.0265
PURINE (CAS# 120-73-0); (M-H)-
Purine
ME195812
1044
-
1.585
120.0436
N-ACETYLGLYCINE (CAS# 543-24-8); (M-H)-
N-Acetylglycine
ME195783
1097
-
0.942
117.0428
SUCCINATE (CAS# 110-15-6); (M-H)-
Succinic acid
ME195827
1110
-
1.344
118.0268
URACIL (CAS# 66-22-8); (M-H)-
Uracil
ME195844
1174
-
0.705
112.0279
URATE (CAS# 69-93-2); (M-H)-
Uric acid
ME195845
1175
-
1.039
168.0285
XANTHINE (CAS# 69-89-6); (M-H)-
Xanthine
ME195851
1188
-
1.335
152.0334
3-HYDROXY-3-METHYLGLUTARATE (CAS# 503-49-1); (M-H)...
3-Hydroxymethylglutaric acid
ME195622
1662
-
1.598
162.0518
5-HYDROXYINDOLEACETATE (CAS# 54-16-0); (M-H)-
5-Hydroxyindoleacetic acid
ME195646
1826
-
4.07
191.0594
ACETAMINOPHEN (TN TYLENOL) (CAS# 103-90-2); (M-H)-
Acetaminophen
ME195650
1983
-
3.127
151.0627
THEOPHYLLINE (CAS# 58-55-9); (M-H)-
Theophylline
ME195831
2153
-
4.485
180.0645
AZELAIC ACID (CAS# 123-99-9); (M-H)-
Azelaic acid
ME195660
2266
-
10.805
188.1045
DECANOATE (CAS# 334-48-5); (M-H)-
Capric acid
ME195697
2969
-
19.911
172.1458
4-HYDROXY-2-QUINOLINECARBOXYLIC ACID-KRYNURENIC AC...
Kynurenic acid
ME195632
3845
-
4.951
189.0414
LAURIC ACID (CAS# 143-07-7); (M-H)-
Lauric acid
ME195758
3893
-
21.812
200.1775
N-ETHYLMALEIMIDE (CAS# 128-53-0); (M-H)-
N-Ethylmaleimide
ME195787
4362
-
3.44
125.0474
N-METHYL-D-ASPARTIC ACID (CAS# 6384-92-5); (M-H)-
N-Methyl-D-aspartic acid
ME195788
4376
-
0.732
147.0542
OMEPRAZOLE (CAS# 73590-58-6); (M-H)-
Omeprazole
ME195795
4594
-
11.248
345.1146
PARAXANTHINE (CAS# 611-59-6); (M-H)-
Paraxanthine
ME195804
4687
-
4.485
180.0645
RESORCINOL MONOACETATE (CAS# 102-29-4); (M-H)-
Resorcinol monoacetate
ME195816
5055
-
7.514
152.0467
SEBACIC ACID (CAS# 111-20-6); (M-H)-
Sebacic acid
ME195823
5192
-
13.032
202.1202
STEARATE (CAS# 57-11-4); (M-H)-
Stearic acid
ME195825
5281
-
23.224
284.2719
CORTISOL 21-ACETATE (CAS# 50-03-3); (M+CL)-
Cortisol 21-acetate
ME195686
5744
-
15.408
404.2161
CORTICOSTERONE (CAS# 50-22-6); (M+CL)-
Corticosterone
ME195682
5753
-
15.203
346.2122
CORTICOSTERONE (CAS# 50-22-6); (M+HCOO)-
Corticosterone
ME195683
5753
-
15.457
346.2118
CORTISOL (CAS# 50-23-7); (M+CL)-
Cortisol
ME195684
5754
-
13.885
362.2093
CORTISOL (CAS# 50-23-7); (M+HCOO)-
Cortisol
ME195685
5754
-
13.885
362.2093
GLUCOSE (CAS# 50-99-7); (2M+CL)-[-H2O]
Glucose
ME195719
5793
-
0.699
180.0641
GLUCOSE (CAS# 50-99-7); (M+CL)-
Glucose
ME195720
5793
-
0.697
180.0634
THYROXINE (CAS# 51-48-9); (M-H)-
Thyroxine
ME195833
5819
-
16.288
776.6876
GLUTAMINE (CAS# 56-85-9); (M-H)-
Glutamine
ME195723
5961
-
0.684
146.0686
FRUCTOSE (CAS# 57-48-7); (M+CL)-
Fructose
ME195710
5984
-
0.697
180.0634
SUCROSE (CAS# 57-50-1); (M+CL)-
Sucrose
ME195828
5988
-
0.699
342.1164
INOSINE (CAS# 58-63-9); (M+CL)-
Inosine
ME195740
6021
-
1.819
268.0808
INOSINE (CAS# 58-63-9); (M-H)-
Inosine
ME195741
6021
-
1.823
268.0807
URIDINE (CAS# 58-96-8); (M+CL)-
Uridine
ME195846
6029
-
1.371
244.0697
URIDINE (CAS# 58-96-8); (M-H)-
Uridine
ME195848
6029
-
1.374
244.0697
URIDINE (CAS# 58-96-8); (M+HCOO)-
Uridine
ME195847
6029
-
1.376
244.0697
TYROSINE (CAS# 60-18-4); (M-H)-
Tyrosine
ME195843
6057
-
1.368
181.0733
LEUCINE (CAS# 328-39-2); (M-H)-
Leucine
ME195759
6106
-
1.609
131.0937
PHENYLALANINE (CAS# 63-91-2); (M-H)-
Phenylalanine
ME195806
6140
-
2.551
165.0784
MANNITOL (CAS# 69-65-8); (M-H)-
Mannitol
ME195768
6251
-
0.715
182.0778
L-HISTIDINE (CAS# 71-00-1); (M-H)-
Histidine
ME195750
6274
-
0.69
155.0684
THREONINE (CAS# 72-19-5); (M+HCOO)-[-H2O]
Threonine
ME195832
6288
-
0.755
119.0593
TRYPTOPHAN (CAS# 73-22-3); (2M-H)-
Tryptophan
ME195841
6305
-
3.667
204.0879
TRYPTOPHAN (CAS# 73-22-3); (M-H)-
Tryptophan
ME195842
6305
-
3.667
204.0885
ISOLEUCINE (CAS# 73-32-5); (M-H)-
Isoleucine
ME195743
6306
-
1.609
131.0937
GIBBERELLIC ACID [ISTD] (CAS# 77-06-5); (2M-H)-
Gibberellin A3
ME195714
6466
-
8.554
346.1404
GIBBERELLIC ACID [ISTD] (CAS# 77-06-5); (M+CL)-
Gibberellin A3
ME195715
6466
-
8.555
346.1446
GIBBERELLIC ACID [ISTD] (CAS# 77-06-5); (M-H)-
Gibberellin A3
ME195716
6466
-
8.556
346.1412
QUINATE (CAS# 77-95-2); (M-H)-
Quinic acid
ME195813
6508
-
0.718
192.0635
PANTOTHENATE (CAS# 79-83-4); (M+CL)-
Pantothenic acid
ME195802
6613
-
3.301
219.1092
PANTOTHENATE (CAS# 79-83-4); (M-H)-
Pantothenic acid
ME195803
6613
-
3.297
219.1104
4-PYRIDOXATE (CAS# 82-82-6); (M-H)-
4-Pyridoxic acid
ME195641
6723
-
1.923
183.0528
GUANOSINE (CAS# 118-00-3); (M+CL)-
Guanosine
ME195727
6802
-
1.824
283.0891
GUANOSINE (CAS# 118-00-3); (M-H)-
Guanosine
ME195728
6802
-
1.812
283.0906
1-HYDROXY-2-NAPHTHOATE (CAS# 86-48-6); (M-H)-
1-Hydroxy-2-naphthoate
ME195595
6844
-
15.839
188.0473
5-OXOPROLINE (CAS# 4042-36-8); (M-H)-
Pyroglutamic acid
ME195648
7405
-
1.207
129.0425
TEREPHTHALATE (CAS# 100-21-0); (M-H)-
Terephthalic acid
ME195830
7489
-
5.864
166.0254
BEHENIC ACID (CAS# 112-85-6); (M-H)-
Behenic acid
ME195661
8215
-
24.137
340.3331
3-(4-HYDROXYPHENYL)LACTATE (CAS# 6482-98-0); (M-H)...
Hydroxyphenyllactic acid
ME195620
9378
-
3.848
182.0572
CITRULLINE (CAS# 372-75-8); (M-H)-
Citrulline
ME195681
9750
-
0.683
175.0954
LITHOCHOLIC ACID (CAS# 434-13-9); (M-H)-
Lithocholic acid
ME195762
9903
-
22.092
376.2941
PROPYNOATE (CAS# 471-25-0); (M-H)-
Propynoic acid
ME195810
10110
-
0.871
70.0048
GLYCOCHOLATE (CAS# 475-31-0); (M-H)-
Glycocholic acid
ME195725
10140
-
18.939
465.3081
SALICYLURIC ACID (CAS# 487-54-7); (M-H)-
Salicyluric acid
ME195822
10253
-
6.273
195.0527
SUBERIC ACID (CAS# 505-48-6); (M-H)-
Suberic acid
ME195826
10457
-
8.31
174.089
HEPTADECANOATE (CAS# 506-12-7); (M-H)-
Margaric acid
ME195729
10465
-
23.049
270.2559
ARACHIDIC ACID (CAS# 506-30-9); (M-H)-
Arachidic acid
ME195658
10467
-
23.631
312.3026
HEXACOSANOIC ACID (CAS# 506-46-7); (M-H)-
Cerotic acid
ME195730
10469
-
25.719
396.3964
TRIACONTANOIC ACID (CAS# 506-50-3); (M-H)-
Melissic acid
ME195836
10471
-
28.837
452.4598
GLUCONIC ACID (CAS# 526-95-4); (M-H)-
Gluconic acid
ME195718
10690
-
0.705
196.0577
5-VALEROLACTONE (CAS# 542-28-9); (M+HCOO)-
5-Valerolactone
ME195649
10953
-
1.645
100.0526
MYRISTIC ACID (CAS# 544-63-8); (M-H)-
Myristic acid
ME195774
11005
-
22.498
228.2089
LIGNOCERIC ACID (CAS# 557-59-5); (M-H)-
Lignoceric acid
ME195760
11197
-
24.805
368.3647
2-HYDROXYBUTYRATE (CAS# ); (M-H)-
2-Hydroxybutyric acid
ME195613
11266
-
1.701
104.0474
ETHYLMALONIC ACID (CAS# 601-75-2); (M-H)-
Ethylmalonic acid
ME195708
11756
-
2.572
132.0416
MANDELIC ACID (CAS# 611-71-2); (M-H)-
Mandelic acid
ME195767
11914
-
5.859
152.047
2-METHYLGLUTARIC ACID (CAS# 18069-17-5); (M-H)-
2-Methylglutaric acid
ME195614
12046
-
3.627
146.058
3-HYDROXYPHENYLACETATE (CAS# 621-37-4); (M-H)-
3-Hydroxyphenylacetic acid
ME195624
12122
-
7.92
152.0465
3-METHYGLUTARIC ACID (CAS# 626-51-7); (M-H)-
Methylglutaric acid
ME195625
12284
-
3.626
146.058
TRIDECANOIC ACID (CAS# 638-53-9); (M-H)-
Tridecylic acid
ME195840
12530
-
22.214
214.193
3BETA-HYDROXYANDROST-5-EN-17-ONE 3-SULFATE (CAS# )...
Dehydroepiandrosterone sulfate
ME195628
12594
-
15.144
368.1659
DEOXYURIDINE (CAS# 951-78-0); (M+CL)-
Deoxyuridine
ME195701
13712
-
1.647
228.0738
DEOXYURIDINE (CAS# 951-78-0); (M+HCOO)-
Deoxyuridine
ME195702
13712
-
1.577
228.0729
DEOXYADENOSINE (CAS# 16373-93-6); (M+CL)-
Deoxyadenosine
ME195699
13730
-
1.825
251.1009
N-BENZYLOXYCARBONYLGLYCINE (CAS# 1138-80-3); (2M-H...
N-Benzyloxycarbonylglycine
ME195785
14349
-
8.546
209.067
N-BENZYLOXYCARBONYLGLYCINE (CAS# 1138-80-3); (M-H)...
N-Benzyloxycarbonylglycine
ME195786
14349
-
8.658
209.0703
TRICARBALLYLIC ACID (CAS# 99-14-9); (M-H)-
1,2,3-Propanetricarboxylic acid
ME195837
14925
-
1.172
176.0324
TRICARBALLYLIC ACID (CAS# 99-14-9); (M-H)-[-H2O]
1,2,3-Propanetricarboxylic acid
ME195838
14925
-
1.232
176.0325
CYCLOHEPTANECARBOXYLIC ACID (CAS# 1460-16-8); (M+H...
Cycloheptanecarboxylic acid
ME195689
15091
-
10.805
142.0989
TRICOSANOIC ACID (CAS# 2433-96-7); (M-H)-
Tricosylic acid
ME195839
17085
-
24.421
354.3487
4-ACETAMIDOBUTANOATE (CAS# 3025-96-5); (M-H)-
4-Acetamidobutanoic acid
ME195629
18189
-
1.838
145.0734
NORLEUCINE (CAS# 327-57-1); (M-H)-
Norleucine
ME195793
21236
-
1.609
131.0937
L-RHAMNOSE (CAS# 10030-85-0); (M+CL)-
Rhamnose
ME195751
25310
-
0.722
164.0684
L-RHAMNOSE (CAS# 10030-85-0); (M-H)-
Rhamnose
ME195753
25310
-
0.926
164.0684
L-RHAMNOSE (CAS# 10030-85-0); (M+HCOO)-
Rhamnose
ME195752
25310
-
0.706
164.067
1-METHYLADENOSINE (CAS# 15763-06-1); (M+CL)-
1-Methyladenosine
ME195596
27476
-
3.054
281.1116
URSODIOL (CAS# 128-13-2); (M-H)-
Ursodeoxycholic acid
ME195850
31401
-
21.745
392.292
URSODIOL (CAS# 128-13-2); (M+HCOO)-
Ursodeoxycholic acid
ME195849
31401
-
21.639
392.2907
GLUTAMATE (CAS# 56-86-0); (M-H)-
Glutamic acid
ME195722
33032
-
0.732
147.0542
GLUCARIC ACID (CAS# 87-73-0); (M-H)+[-H2O]
Glucaric acid
ME195717
33037
-
0.998
210.0391
N-ACETYLGALACTOSAMINE (CAS# 1811-31-0); (M+CL)-
N-Acetylgalactosamine
ME195782
35717
-
0.707
221.0919
XANTHOSINE (CAS# 146-80-5); (M-H)-
Xanthosine
ME195852
64959
-
2.39
284.0755
2'-DEOXYINOSINE (CAS# 890-38-0); (M+CL)-
Deoxyinosine
ME195609
65058
-
1.802
252.0872
N-ACETYL-L-ASPARTIC ACID (CAS# 997-55-7); (M-H)-
N-Acetylaspartic acid
ME195781
65065
-
0.962
175.0467
3-AMINO-4-HYDROXYBENZOIC ACID (CAS# 1571-72-8); (M...
3-Amino-4-hydroxybenzoic acid
ME195621
65083
-
0.95
153.0419
3-NITRO-L-TYROSINE (CAS# 621-44-3); (M+CL)-
Nitrotyrosine
ME195627
65124
-
3.018
226.0575
N-ACETYL-DL-SERINE (CAS# 97-14-3); (M-H)-
N-Acetylserine
ME195779
65249
-
0.748
147.0532
D-LYXOSE (CAS# 1114-34-7); (M-H)-
Lyxose
ME195693
65550
-
0.712
150.0533
D-LYXOSE (CAS# 1114-34-7); (M+HCOO)-
Lyxose
ME195692
65550
-
0.707
150.0524
D-(-)-ARABINOSE (CAS# 10323-20-3); (M+HCOO)-
Arabinose
ME195690
66308
-
0.708
150.0526
1-METHYLURIC ACID (CAS# 708-79-2); (2M-H)-
1-Methyluric acid
ME195597
69726
-
2.246
182.0433
1-METHYLURIC ACID (CAS# 708-79-2); (M-H)-
1-Methyluric acid
ME195598
69726
-
2.245
182.0439
3-METHYLXANTHINE (CAS# 1076-22-8); (M-H)-
3-Methylxanthine
ME195626
70639
-
2.528
166.0496
PTERIN (CAS# 2236-60-4); (M-H)-
Pterin
ME195811
73000
-
1.834
163.0487
MONO-METHYL GLUTARATE (CAS# 1501-27-5); (M-H)-
Monomethyl glutaric acid
ME195773
73917
-
3.626
146.058
GLYCERALDEHYDE (CAS# 367-47-5); (2M-H)-[-H2O]
Glyceraldehyde
ME195724
79014
-
1.606
90.0311
RAC-GLYCEROL 1-MYRISTATE (CAS# 75685-84-6); (M+CL)...
MG 14:0
ME195814
79050
-
22.474
302.247
1-METHYLXANTHINE (CAS# 6136-37-4); (M-H)-
1-Methylxanthine
ME195599
80220
-
2.559
166.0493
4-ACETAMINOPHEN SULFATE (CAS# 32113-41-0); (M-H)-
Paracetamol sulfate
ME195630
83939
-
2.394
231.02
P-ACETAMIDOPHENYL BETA-D-GLUCURONIDE (CAS# 120595-...
p-Acetamidophenylglucuronide
ME195797
83944
-
2.286
327.0954
P-ACETAMIDOPHENYL BETA-D-GLUCURONIDE (CAS# 120595-...
p-Acetamidophenylglucuronide
ME195798
83944
-
2.287
327.0954
GALACTURONIC ACID (CAS# 91510-62-2); (M-H)-
Galacturonic acid
ME195712
84740
-
0.691
194.0421
N-ACETYL-L-ALANINE (CAS# 97-69-8); (M-H)-
N-Acetylalanine
ME195780
88064
-
1.53
131.0583
D-PSICOSE (CAS# 551-68-8); (M+CL)-
Psicose
ME195695
90008
-
0.697
180.0634
D-TAGATOSE (CAS# 87-81-0); (M+CL)-
D-Tagatose
ME195696
90008
-
0.697
180.0634
ARABITOL (CAS# 7643-75-6); (M+HCOO)-
Arabitol
ME195657
94154
-
0.75
152.069
METHYL BETA-D-GALACTOSIDE (CAS# 1824-94-8); (M+CL)...
Methyl beta-D-galactoside
ME195770
94214
-
0.924
194.0801
GLUCURONIC ACID (CAS# 6556-12-3); (M-H)-
Glucuronic acid
ME195721
94715
-
0.691
194.0421
IBUPROFEN (CAS# 15687-27-1); (M-H)-
Ibuprofen
ME195735
114864
-
18.963
206.1303
EPIBRASSINOLIDE [ISTD] (CAS# 78821-43-9); (M+CL)-
24-epi-Brassinolide
ME195705
115196
-
19.886
480.3451
EPIBRASSINOLIDE [ISTD] (CAS# 78821-43-9); (M+HCOO)...
24-epi-Brassinolide
ME195706
115196
-
19.887
480.3455
GLYCOLITHOCHOLATE (CAS# 474-74-8 ); (M-H)-
Glycolithocholic acid
ME195726
115245
-
21.705
433.3219
5-HYDROXY OMEPRAZOLE (CAS# 92340-57-3); (M-H)-
5-Hydroxyomeprazole
ME195645
119560
-
12.42
361.1096
AHBA (CAS# 76045-71-1); (M-H)-
3-Amino-5-hydroxybenzoic acid
ME195652
127115
-
0.95
153.0419
XYLOSE (CAS# 58-86-6); (M+HCOO)-
Xylose
ME195853
135191
-
0.711
150.0526
OMEPRAZOLE SULFONE (CAS# 88546-55-8); (M-H)-
Omeprazole sulfone
ME195796
145900
-
12.42
361.1096
L-GULONATE (CAS# 6322-07-2); (M-H)-
Gulonic acid
ME195749
152304
-
0.704
196.0577
L-GULONATE (CAS# 6322-07-2); (M-H)+[-H2O]
Gulonic acid
ME195748
152304
-
0.716
196.0592
NAPROXEN (CAS# 22204-53-1); (M-H)-
Naproxen
ME195791
156391
-
15.831
230.0939
KYNURENINE (CAS# 343-65-7); (M-H)-
Kynurenine
ME195747
161166
-
2.252
208.0838
PINITOL (CAS# 10284-63-6); (M+CL)-
Pinitol
ME195809
164619
-
0.924
194.0801
2'-DEOXYGUANOSINE (CAS# 961-07-9); (M-H)-
Deoxyguanosine
ME195608
187790
-
1.655
267.0943
DEHYDROASCORBATE (CAS# 490-83-5); (M-H)-
L-Dehydroascorbic acid
ME195698
210328
-
0.9
174.0172
CHOLATE (CAS# 81-25-4); (M-H)-
Cholic acid
ME195673
221493
-
20.417
408.2853
DEOXYCHOLIC ACID (CAS# 83-44-3); (M-H)-
Deoxycholic acid
ME195700
222528
-
21.761
392.2918
MALATE (CAS# 97-67-6); (M-H)-
Malic acid
ME195764
222656
-
0.88
134.0224
CORTISONE (CAS# 53-06-5); (M+CL)-
Cortisone
ME195687
222786
-
13.463
360.1933
CORTISONE (CAS# 53-06-5); (M+HCOO)-
Cortisone
ME195688
222786
-
13.462
360.1934
S-ADENOSYL-L-HOMOCYSTEINE (CAS# 979-92-0); (M+CL)-
S-Adenosylhomocysteine
ME195819
439155
-
1.37
384.1209
S-ADENOSYL-L-HOMOCYSTEINE (CAS# 979-92-0); (M-H)-
S-Adenosylhomocysteine
ME195820
439155
-
1.431
384.1245
5'-METHYLTHIOADENOSINE (CAS# 2457-80-9); (M+CL)-
5'-Methylthioadenosine
ME195643
439176
-
4.542
297.089
5'-METHYLTHIOADENOSINE (CAS# 2457-80-9); (M+HCOO)-
5'-Methylthioadenosine
ME195644
439176
-
4.558
297.0883
5'-DEOXYADENOSINE (CAS# 4754-39-6); (M+HCOO)-
5'-Deoxyadenosine
ME195642
439182
-
2.558
251.1
BETA-MALTOSE (CAS# 69-79-4); (2M+CL)-[-H2O]
Maltose
ME195665
439186
-
0.717
342.1148
BETA-MALTOSE (CAS# 69-79-4); (M+CL)-
Maltose
ME195666
439186
-
0.699
342.1164
MALTOSE (CAS# 69-79-4); (M+CL)-
Maltose
ME195766
439186
-
0.699
342.1164
N-ACETYLNEURAMINATE (CAS# 131-48-6); (M-H)-
N-Acetylneuraminic acid
ME195784
439197
-
0.932
309.1048
MEVALONIC ACID (CAS# 674-26-0); (M-H)-
Mevalonic acid
ME195772
439230
-
1.628
148.0723
RAFFINOSE (CAS# 512-69-6); (M+CL)-
Raffinose
ME195815
439242
-
0.713
504.1686
2-DEOXY-D-GLUCOSE (CAS# 154-17-6); (M+CL)-
2-Deoxy-glucose
ME195610
439268
-
0.722
164.0684
2-DEOXY-D-GLUCOSE (CAS# 154-17-6); (M+HCOO)-
2-Deoxy-glucose
ME195611
439268
-
0.706
164.067
5-HYDROXYTRYPTOPHAN (CAS# 4350-09-8); (2M-H)-
5-Hydroxy-tryptophan
ME195647
439280
-
2.148
220.0831
N-METHYL-L-GLUTAMATE (CAS# 6753-62-4); (M-H)-
N-Methyl-glutamic acid
ME195789
439377
-
0.744
161.0679
ALLOSE (CAS# 2595-97-3); (M-H)+[-H2O]
Allose
ME195653
439507
-
1.598
180.0635
STACHYOSE (CAS# 54261-98-2); (M+CL)-
Stachyose
ME195824
439531
-
0.717
666.2204
PALATINOSE (CAS# 343336-76-5); (M+CL)-
Palatinose
ME195799
439559
-
0.699
342.1164
TAUROLITHOCHOLATE (CAS# 516-90-5); (M-H)-
Taurolithocholic acid
ME195829
439763
-
21.578
483.2992
MELIBIOSE (CAS# 585-99-9); (M+CL)-
Melibiose
ME195769
440658
-
0.699
342.1164
11-DEOXYCORTISOL (CAS# 152-58-9); (M+CL)-
11-Deoxycortisol
ME195601
440707
-
15.489
346.213
11-DEOXYCORTISOL (CAS# 152-58-9); (M+HCOO)-
11-Deoxycortisol
ME195602
440707
-
15.486
346.2151
ALPHA-HYDROXYISOBUTYRIC ACID (CAS# 594-61-6); (M-H...
2-Hydroxyisobutyric acid
ME195654
440873
-
1.701
104.0474
LACTOSE (CAS# 63-42-3); (M+CL)-
Lactose
ME195756
440995
-
0.699
342.1164
LACTOSE (CAS# 63-42-3); (M-H)-
Lactose
ME195757
440995
-
0.698
342.1149
CITRAMALATE (CAS# 2306-22-1); (M-H)-
Citramalic acid
ME195679
441696
-
1.44
148.0372
TRANS-ACONITATE (CAS# 4023-65-8); (M-H)-
trans-Aconitic acid
ME195834
444212
-
1.141
174.0168
MALEIC ACID (CAS# 110-16-7); (M-H)-
Maleic acid
ME195765
444266
-
1.037
116.012
RETINOATE (CAS# 302-79-4); (M-H)-
Retinoic acid
ME195817
444795
-
22.339
300.2104
ARACHIDONATE (CAS# 506-32-1); (M-H)-
Arachidonic acid
ME195659
444899
-
22.738
304.2405
FUMARATE (CAS# 110-17-8); (M-H)-
Fumaric acid
ME195711
444972
-
1.147
116.0118
DOCOSAHEXAENOIC ACID (CAS# 6217-54-5 ); (M-H)-
Docosahexaenoic acid
ME195703
445580
-
22.73
328.2404
PALMITOLEIC ACID (CAS# 373-49-9); (M-H)-
Palmitoleic acid
ME195801
445638
-
22.622
254.2248
OLEIC ACID (CAS# 112-80-1); (M-H)-
Oleic acid
ME195794
445639
-
22.967
282.2562
FERULATE (CAS# 1135-24-6); (M-H)-
trans-Ferulic acid
ME195709
445858
-
7.629
194.0576
N-ACETYL-D-GLUCOSAMINE (CAS# 7512-17-6); (M+CL)-
N-Acetylglucosamine
ME195776
446101
-
0.707
221.0919
N-ACETYL-DL-METHIONINE (CAS# 1115-47-5); (M-H)-
N-Acetylmethionine
ME195778
448580
-
4.096
191.0606
ZEATIN [ISTD] (CAS# 13114-27-7); (M+CL)-
trans-Zeatin
ME195854
449093
-
3.952
219.1121
ZEATIN [ISTD] (CAS# 13114-27-7); (M-H)-
trans-Zeatin
ME195855
449093
-
3.951
219.1122
16:0 LYSO PC (CAS# 17364-16-8); (M+CL)-
LPC 16:0
ME195603
460602
-
22.298
495.3368
16:0 LYSO PC (CAS# 17364-16-8); (M+HCOO)-
LPC 16:0
ME195604
460602
-
22.236
495.3321
RIBOFLAVIN (CAS# 83-88-5); (M-H)-
Riboflavin
ME195818
493570
-
7.602
376.1392
ELAIDIC ACID (CAS# 112-79-8); (M-H)-
Elaidic acid
ME195704
637517
-
22.967
282.2562
4-COUMARATE (CAS# 501-98-4); (M-H)-
cis-p-Coumaric acid
ME195631
637542
-
7.208
164.0472
CIS-ACONITATE (CAS# 585-84-2); (M-H)-
cis-Aconitic acid
ME195675
643757
-
1.188
174.0169
2-METHYLMALEATE (CAS# 498-23-7); (M-H)-
Citraconic acid
ME195615
643798
-
2.446
130.0268
CIS-ZEATIN (CAS# 1637-39-4); (M+CL)-
cis-Zeatin
ME195677
688597
-
3.952
219.1121
CIS-ZEATIN (CAS# 1637-39-4); (M-H)-
cis-Zeatin
ME195678
688597
-
3.951
219.1123
2-HYDROXY-3-METHYLBUTYRIC ACID (CAS# 4026-18-0); (...
2-Hydroxy-3-methylbutyric acid
ME195612
853180
-
3.533
118.063
D-GALACTOSAMINE (CAS# 7535-00-4); (M-H)-[-H2O]
Galactosamine
ME195691
3034366
-
0.744
179.0784
D-MANNOSAMINE (CAS# 14307-02-9); (M-H)-[-H2O]
2-Amino-2-deoxy-D-mannose
ME195694
3034366
-
0.744
179.0784
4-NITROCATECHOL (CAS# 3316-09-4); (M-H)-
4-Nitrocatechol
ME195638
3505109
-
5.451
155.0212
BILIVERDIN (CAS# 114-25-0); (M-H)-
Biliverdin
ME195667
5280353
-
18.682
582.2458
LINOLEATE (CAS# 60-33-3); (M-H)-
Linoleic acid
ME195761
5280450
-
22.776
280.2407
BETA-CAROTENE (CAS# 7235-40-7); (M-H)-
beta-Carotene
ME195664
5280489
-
23.384
536.4366
GAMMA-LINOLENIC ACID (CAS# 506-26-3); (M+HCOO)-
gamma-Linolenic acid
ME195713
5280933
-
22.887
278.2221
ALPHA-LINOLENIC ACID (CAS# 463-40-1); (M+HCOO)-
alpha-Linolenic acid
ME195656
5280934
-
22.887
278.2221
ERUCIC ACID (CAS# 112-86-7); (M-H)-
cis-Erucic acid
ME195707
5281116
-
23.704
338.3184
MYRISTOLEIC ACID (CAS# 544-64-9); (M-H)-
Myristoleic acid
ME195775
5281119
-
22.099
226.1932
NERVONIC ACID (CAS# 506-37-6); (M-H)-
Nervonic acid
ME195792
5281120
-
24.204
366.3497
TRANS-VACCENIC ACID (CAS# 693-72-1); (M-H)-
trans-Vaccenic acid
ME195835
5281127
-
22.967
282.2562
JASMONIC ACID [ISTD] (CAS# 77026-92-7); (2M-H)-
Jasmonic acid
ME195745
5281166
-
13.226
210.1245
JASMONIC ACID [ISTD] (CAS# 77026-92-7); (M-H)-
Jasmonic acid
ME195746
5281166
-
13.226
210.1256
CIS-VACCENIC ACID (CAS# 506-17-2); (M-H)-
cis-Vaccenic acid
ME195676
5282761
-
22.967
282.2562
CIS-11-EICOSENOIC ACID (CAS# 5561-99-9); (M-H)-
cis-Gondoic acid
ME195674
5282768
-
23.297
310.2872
1-OLEOYL-RAC-GLYCEROL (CAS# 111-03-5); (M+HCOO)-
MG 18:1
ME195600
5283468
-
22.706
356.2913
HYODEOXYCHOLATE (CAS# 83-49-8); (M-H)-
Hyodeoxycholic acid
ME195733
5283820
-
22.911
392.2939
ISOCITRATE (CAS# 320-77-4); (M-H)-
Isocitric acid
ME195742
5318532
-
1.003
192.0274
LUMICHROME (CAS# 1086-80-2); (M-H)-
Lumichrome
ME195763
5326566
-
11.001
242.0805
N-OLEOYLGLYCINE (CAS# 2601-90-3); (2M-H)-
N-Oleoyl glycine
ME195790
6436908
-
22.383
339.2744
18:0 LYSO-PE (CAS# 69747-55-3); (M-H)-
LPE 18:0
ME195607
9547068
-
22.706
481.3158
PHYTANATE (CAS# 14721-66-5); (M-H)-
Phytanic acid
ME195808
10380830
-
23.304
312.3015
IBUPROFEN CARBOXYLIC ACID (CAS# 15935-54-3); (2M-H...
-
ME195736
10444113
-
13.075
236.1041
IBUPROFEN CARBOXYLIC ACID (CAS# 15935-54-3); (M+CL...
-
ME195737
10444113
-
13.021
236.1039
IBUPROFEN CARBOXYLIC ACID (CAS# 15935-54-3); (M-H)...
-
ME195738
10444113
-
13.08
236.1043
L-TRYPTOPHAN-15N2 [ISTD] (CAS# ); (M-H)-
Tryptophan
ME195754
16217285
-
3.667
206.0843
16:0-18:0 PC (CAS# 59403-51-9); (M+CL)-
PC 16:0_18:0
ME195605
18631368
-
25.587
761.5893
16:0-18:0 PC (CAS# 59403-51-9); (M+HCOO)-
PC 16:0_18:0
ME195606
18631368
-
25.771
761.5939
20:0 LYSO PC (CAS# 108341-80-6); (M+CL)-
LPC 20:0
ME195616
24779473
-
22.798
551.3902
20:0 LYSO PC (CAS# 108341-80-6); (M+HCOO)-
LPC 20:0
ME195617
24779473
-
23.063
551.3914
24:0 SM (D18:1/24:0) (CAS# 60037-60-7); (M+HCOO)-
SM 18:1;O2/24:0
ME195618
44260127
-
27.993
814.692
C12 GALACTOSYL(BETA) CERAMIDE (D18:1/12:0) (CAS# 4...
-
ME195669
46891735
-
22.949
643.5007
C12 GALACTOSYL(BETA) CERAMIDE (D18:1/12:0) (CAS# 4...
-
ME195670
46891735
-
23.019
643.5003
N-ACETYL-D-MANNOSAMINE (CAS# 3615-17-6); (M+CL)-
N-Acetyl-mannosamine
ME195777
53477792
-
0.707
221.0919
BIS-GAMMA-GLUTAMYLCYSTINE (CAS# 23052-19-9); (M-H)...
Bis-gamma-glutamylcystine
ME195668
90657696
-
1.362
498.1126
Analysis: Reversed phase POSITIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
4-METHYL-2-OXOVALERIC ACID (CAS# 816-66-0); (M+NA)...
Ketoleucine
ME195926
70
-
4.6
130.063
3-HYDROXYANTHRANILATE (CAS# 548-93-6); (M+H)+
3-Hydroxyanthranilic acid
ME195903
86
-
2.948
153.0432
ACETOACETATE (CAS# 541-50-4); (M+H)+
Acetoacetic acid
ME195951
96
-
2.6
102.0311
3-HYDROXYBENZALDEHYDE (CAS# 100-83-4); (M+H)+[-H2O...
3-Hydroxybenzaldehyde
ME195904
101
-
4.846
122.0371
O-PHOSPHO-DL-SERINE (CAS# 17885-08-4); (2M+H)+
DL-O-Phosphoserine
ME196226
106
-
0.73
185.0093
3-UREIDOPROPIONIC ACID (CAS# 462-88-4); (M+H)+
Ureidopropionic acid
ME195913
111
-
0.933
132.0541
4-HYDROXYPHENYLACETATE (CAS# 156-38-7); (M+H)+
4-Hydroxyphenyl acetate
ME195925
127
-
4.543
152.0473
5-AMINOLEVULINATE (CAS# 106-60-5); (M+H)+
5-Amino-levulinic acid
ME195934
137
-
0.706
131.0588
5-AMINOLEVULINATE (CAS# 106-60-5); (M+NA)+
5-Amino-levulinic acid
ME195935
137
-
0.69
131.0593
5-AMINOPENTANOATE (CAS# 660-88-8); (M+H)+
5-Aminopentanoic acid
ME195936
138
-
0.802
117.0788
N-ACETYL-DL-GLUTAMIC ACID (CAS# 5817-08-3); (M+H)+
N-Acetylglutamic acid
ME196176
185
-
1.195
189.0627
N-ACETYL-DL-GLUTAMIC ACID (CAS# 5817-08-3); (M+H)+...
N-Acetylglutamic acid
ME196177
185
-
1.604
189.064
N-ACETYL-DL-GLUTAMIC ACID (CAS# 5817-08-3); (M+NA)...
N-Acetylglutamic acid
ME196178
185
-
1.293
189.0619
ADIPIC ACID (CAS# 124-04-9 ); (M+NA)+
Adipic acid
ME195953
196
-
3.57
146.0578
BETA-ALANINE (CAS# 107-95-9); (M+H)+
beta-Alanine
ME195967
239
-
0.706
89.0477
BETAINE (CAS# 107-43-7); (M+H)+
Betaine
ME195969
247
-
0.768
117.0789
BETAINE (CAS# 107-43-7); (M+NA)+
Betaine
ME195970
247
-
0.587
117.0785
CELLOBIOSE (CAS# 528-50-7); (M+NA)+
Cellobiose
ME195987
294
-
0.717
342.1155
CHOLINE (CAS# 62-49-7); M+
Choline
ME195990
305
-
0.68
104.1066
CITRATE (CAS# 77-92-9); (M+H)+[-H2O]
Citric acid
ME195996
311
-
1.25
192.0255
CITRATE (CAS# 77-92-9); (M+NA)+
Citric acid
ME195997
311
-
1.054
192.0274
(2-AMINOETHYL)PHOSPHONATE (CAS# 2041-14-7); (M+H)+
Ciliatine
ME195859
339
-
1.038
125.0231
6-CARBOXYHEXANOATE (CAS# 111-16-0); (M+NA)+
Pimelic acid
ME195947
385
-
5.72
160.0726
INDOLE-3-ACETAMIDE (CAS# 879-37-8); (M+NA)+
1H-Indole-3-acetamide
ME196101
397
-
5.778
174.08
1-METHYLNICOTINAMIDE (CAS# ); M+
1-Methyl nicotinamide
ME195863
457
-
0.659
137.0701
HIPPURATE (CAS# 495-69-2); (M+H)+
Hippuric acid
ME196085
464
-
4.846
179.0598
HIPPURATE (CAS# 495-69-2); (M+NA)+
Hippuric acid
ME196086
464
-
4.845
179.0586
CREATINE (CAS# 57-00-1); (M+H)+
Creatine
ME196009
586
-
0.704
131.0691
CREATININE (CAS# 60-27-5); (M+H)+
Creatinine
ME196010
588
-
0.723
113.0587
CREATININE (CAS# 60-27-5); (M+NA)+
Creatinine
ME196011
588
-
0.706
113.0585
SERINE (CAS# 56-45-1); (M+H)+
Serine
ME196287
617
-
1.016
105.0419
DIMETHYLBENZIMIDAZOLE (CAS# 582-60-5); (M+H)+
Dimethylbenzimidazole
ME196039
675
-
6.051
146.0847
3-DEHYDROXYCARNITINE (CAS# 407-64-7); (M+H)+
3-Dehydroxycarnitine
ME195899
725
-
0.706
145.1089
GLUTARATE (CAS# 110-94-1); (M+NA)+
Glutaric acid
ME196068
743
-
2.064
132.0416
GLYCINE (CAS# 56-40-6); (M+H)+
Glycine
ME196071
750
-
0.873
75.0325
GUANINE (CAS# 73-40-5); (2M+NA)+
Guanine
ME196080
764
-
0.933
151.0495
GUANINE (CAS# 73-40-5); (M+H)+
Guanine
ME196081
764
-
1.013
151.0485
GUANINE (CAS# 73-40-5); (M+NA)+
Guanine
ME196082
764
-
0.979
151.0501
HOMOGENTISATE (CAS# 451-13-8); (M+H)+
Homogentisic acid
ME196088
780
-
2.282
168.0406
HOMOGENTISATE (CAS# 451-13-8); (M+H)+[-H2O]
Homogentisic acid
ME196089
780
-
2.312
168.0418
HOMOGENTISATE (CAS# 451-13-8); (M+NA)+
Homogentisic acid
ME196090
780
-
2.299
168.0409
HYPOXANTHINE (CAS# 68-94-0); (M+H)+
Hypoxanthine
ME196094
790
-
1.131
136.0386
HYPOXANTHINE (CAS# 68-94-0); (M+NA)+
Hypoxanthine
ME196095
790
-
1.132
136.0382
INDOLE (CAS# 120-72-9); (2M+NA)+
Indole
ME196099
798
-
6.541
117.0573
INDOLE-3-ACETALDEHYDE (CAS# 2591-98-2); (M+H)+
Indoleacetaldehyde
ME196100
800
-
1.847
159.0686
INDOLE-3-ACETATE (CAS# 87-51-4); (M+H)+
Indoleacetic acid
ME196102
802
-
8.459
175.0633
INDOLE-3-ACETATE (CAS# 87-51-4); (M+NA)+
Indoleacetic acid
ME196103
802
-
8.459
175.0635
PIPECOLATE (CAS# 535-75-1); (M+H)+
Pipecolic acid
ME196251
849
-
0.737
129.0787
PIPECOLATE (CAS# 535-75-1); (M+NA)+
Pipecolic acid
ME196252
849
-
0.659
129.0787
LIPOAMIDE (CAS# 940-69-2); (M+NA)+
Lipoamide
ME196140
863
-
10.469
205.0586
MYO-INOSITOL (CAS# 87-89-8); (M+NA)+
Myo-inositol
ME196168
892
-
0.674
180.063
MELATONIN (CAS# 73-31-4); (M+NA)+
Melatonin
ME196156
896
-
8.508
232.123
NICOTINAMIDE (CAS# 98-92-0); (M+H)+
Niacinamide
ME196214
936
-
1.148
122.0477
NORADRENALINE (CAS# 51-41-2); (M+H)+
Xi-Norepinephrine
ME196218
951
-
0.785
169.0754
NORADRENALINE (CAS# 51-41-2); (M+H)+[-H2O]
Xi-Norepinephrine
ME196219
951
-
0.734
169.0729
4-AMINOBENZOATE (CAS# 150-13-0); (M+H)+
p-Aminobenzoic acid
ME195921
978
-
2.838
137.0467
ETHANOLAMINE PHOSPHATE (CAS# 1071-23-4); (M+H)+
Phosphoethanolamine
ME196051
1015
-
1.033
141.0191
PHTHALATE (CAS# 88-99-3); (M+NA)+
Phthalic acid
ME196249
1017
-
4.849
166.0271
PURINE (CAS# 120-73-0); (M+H)+
Purine
ME196264
1044
-
1.499
120.0434
PURINE (CAS# 120-73-0); (M+NA)+
Purine
ME196265
1044
-
1.34
120.0427
PYRIDOXAL (CAS# 66-72-8); (M+H)+
Pyridoxal
ME196266
1050
-
1.817
167.0567
PYRIDOXAL (CAS# 66-72-8); (M+H)+[-H2O]
Pyridoxal
ME196267
1050
-
1.811
167.0589
PYRIDOXAMINE (CAS# 85-87-0); (M+H)+
Pyridoxamine
ME196268
1052
-
0.573
168.0882
PYRIDOXINE (CAS# 65-23-6); (M+H)+
Pyridoxine
ME196269
1054
-
0.922
169.0739
SARCOSINE (CAS# 107-97-1); (M+H)+
Sarcosine
ME196283
1088
-
0.706
89.0477
N-ACETYLGLYCINE (CAS# 543-24-8); (M+NA)+
N-Acetylglycine
ME196196
1097
-
0.939
117.0423
SPERMIDINE (CAS# 124-20-9); (M+H)+
Spermidine
ME196292
1102
-
0.575
145.157
SPERMINE (CAS# 71-44-3); (M+H)+
Spermine
ME196293
1103
-
0.776
202.2143
TAURINE (CAS# 107-35-7); (M+H)+
Taurine
ME196300
1123
-
0.814
125.0149
TAURINE (CAS# 107-35-7); (M+NA)+
Taurine
ME196301
1123
-
0.773
125.0139
THIAMIN (CAS# 59-43-8); M+
Thiamine
ME196310
1130
-
0.659
265.1097
THYMINE (CAS# 65-71-4); (M+H)+
Thymine
ME196313
1135
-
1.838
126.0418
TRIMETHYLAMINE (CAS# 75-50-3); (M+H)+
Trimethylamine
ME196320
1146
-
0.72
59.0734
URATE (CAS# 69-93-2); (M+H)+
Uric acid
ME196327
1175
-
1.044
168.0286
URATE (CAS# 69-93-2); (M+NA)+
Uric acid
ME196328
1175
-
1.045
168.0289
XANTHINE (CAS# 69-89-6); (M+H)+
Xanthine
ME196337
1188
-
1.305
152.0325
3-HYDROXY-3-METHYLGLUTARATE (CAS# 503-49-1); (M+H)...
3-Hydroxymethylglutaric acid
ME195900
1662
-
1.732
162.0516
3-HYDROXY-3-METHYLGLUTARATE (CAS# 503-49-1); (M+H)...
3-Hydroxymethylglutaric acid
ME195901
1662
-
1.566
162.052
3-HYDROXY-3-METHYLGLUTARATE (CAS# 503-49-1); (M+NA...
3-Hydroxymethylglutaric acid
ME195902
1662
-
1.865
162.0535
3-METHYLADENINE (CAS# 5142-23-4); (M+H)+
3-Methyladenine
ME195910
1673
-
0.727
149.069
HOMOVANILLATE (CAS# 306-08-1); (M+H)+
Homovanillic acid
ME196092
1738
-
5.697
182.0563
5-HYDROXYINDOLEACETATE (CAS# 54-16-0); (M+H)+
5-Hydroxyindoleacetic acid
ME195939
1826
-
4.216
191.0593
5-HYDROXYINDOLEACETATE (CAS# 54-16-0); (M+NA)+
5-Hydroxyindoleacetic acid
ME195940
1826
-
4.133
191.0599
ACETAMINOPHEN (TN TYLENOL) (CAS# 103-90-2); (M+H)+
Acetaminophen
ME195949
1983
-
3.11
151.0633
ACETAMINOPHEN (TN TYLENOL) (CAS# 103-90-2); (M+NA)...
Acetaminophen
ME195950
1983
-
3.025
151.0633
THEOPHYLLINE (CAS# 58-55-9); (M+H)+
Theophylline
ME196308
2153
-
4.333
180.065
THEOPHYLLINE (CAS# 58-55-9); (M+NA)+
Theophylline
ME196309
2153
-
4.461
180.0646
AZELAIC ACID (CAS# 123-99-9); (M+H)+[-H2O]
Azelaic acid
ME195965
2266
-
10.799
188.1042
AZELAIC ACID (CAS# 123-99-9); (M+NA)+
Azelaic acid
ME195966
2266
-
10.8
188.1063
CAFFEINE (CAS# 58-08-2); (M+H)+
Caffeine
ME195981
2519
-
5.962
194.081
CAFFEINE (CAS# 58-08-2); (M+NA)+
Caffeine
ME195982
2519
-
5.967
194.082
DEBRISOQUIN (CAS# 581-88-4); (M+H)+
Debrisoquine
ME196026
2966
-
5.146
175.1106
DECANOATE (CAS# 334-48-5); (2M+H)+
Capric acid
ME196027
2969
-
22.865
172.1479
DECANOATE (CAS# 334-48-5); (2M+NA)+
Capric acid
ME196028
2969
-
22.842
172.1454
FLUCYTOSINE (CAS# 2022-85-7); (M+H)+
Flucytosine
ME196053
3366
-
0.666
129.0348
GUAIFENESIN (CAS# 93-14-1); (M+NA)+
Guaifenesin
ME196079
3516
-
7.792
198.0904
4-HYDROXY-2-QUINOLINECARBOXYLIC ACID-KRYNURENIC AC...
Kynurenic acid
ME195922
3845
-
4.967
189.043
LOPERAMIDE (CAS# 34552-83-5); (M+H)+
Loperamide
ME196142
3955
-
15.337
476.2245
LORATADINE (CAS# 79794-75-5); (M+NA)+
Loratadine
ME196143
3957
-
17.855
382.1418
N-ETHYLMALEIMIDE (CAS# 128-53-0); (M+H)+
N-Ethylmaleimide
ME196203
4362
-
3.437
125.0468
N-METHYL-D-ASPARTIC ACID (CAS# 6384-92-5); (M+H)+
N-Methyl-D-aspartic acid
ME196204
4376
-
0.691
147.053
N-METHYL-D-ASPARTIC ACID (CAS# 6384-92-5); (M+NA)+
N-Methyl-D-aspartic acid
ME196205
4376
-
0.755
147.0522
OMEPRAZOLE (CAS# 73590-58-6); (M+H)+
Omeprazole
ME196232
4594
-
11.206
345.1155
PARAXANTHINE (CAS# 611-59-6); (M+H)+
Paraxanthine
ME196243
4687
-
4.446
180.0651
PARAXANTHINE (CAS# 611-59-6); (M+NA)+
Paraxanthine
ME196244
4687
-
4.475
180.0649
PROTOPORPHYRIN (CAS# 553-12-8); (M+H)+
Protoporphyrin
ME196262
4971
-
23.053
562.2585
RESORCINOL MONOACETATE (CAS# 102-29-4); (M+H)+
Resorcinol monoacetate
ME196277
5055
-
7.577
152.046
SEBACIC ACID (CAS# 111-20-6); (M+NA)+
Sebacic acid
ME196284
5192
-
13.031
202.1216
SEROTONIN (CAS# 50-67-9); (M+H)+
Serotonin
ME196288
5202
-
1.796
176.0953
SEROTONIN (CAS# 50-67-9); (M+NA)+
Serotonin
ME196289
5202
-
1.643
176.0939
THEOBROMINE (CAS# 83-67-0); (M+H)+
Theobromine
ME196306
5429
-
3.525
180.0648
THEOBROMINE (CAS# 83-67-0); (M+NA)+
Theobromine
ME196307
5429
-
3.605
180.0635
N-METHYLNICOTINATE (CAS# 535-83-1); (M+H)+
Trigonelline
ME196209
5570
-
0.71
137.0464
TYRAMINE (CAS# 51-67-2); (M+H)+
Tyramine
ME196323
5610
-
1.075
137.0831
XANTHURENIC ACID (CAS# 59-00-7); (M+H)+
Xanthurenic acid
ME196340
5699
-
4.575
205.0386
CORTISOL 21-ACETATE (CAS# 50-03-3); (M+H)+
Cortisol 21-acetate
ME196005
5744
-
15.397
404.22
CORTISOL 21-ACETATE (CAS# 50-03-3); (M+H)+[-H2O]
Cortisol 21-acetate
ME196006
5744
-
16.005
404.218
CORTICOSTERONE (CAS# 50-22-6); (M+H)+
Corticosterone
ME196001
5753
-
15.04
346.2134
CORTICOSTERONE (CAS# 50-22-6); (M+NA)+
Corticosterone
ME196002
5753
-
15.307
346.2139
CORTISOL (CAS# 50-23-7); (M+H)+
Cortisol
ME196003
5754
-
13.875
362.2073
CORTISOL (CAS# 50-23-7); (M+NA)+
Cortisol
ME196004
5754
-
13.875
362.2101
ESTRADIOL-17BETA (CAS# 50-28-2); (M+NA)+
beta-Estradiol
ME196048
5757
-
16.416
272.1792
RIBOSE (CAS# 50-69-1); (M+NA)+
Ribose
ME196279
5779
-
0.793
150.0516
GLUCOSE (CAS# 50-99-7); (2M+NA)+
Glucose
ME196061
5793
-
0.678
180.0631
GLUCOSE (CAS# 50-99-7); (2M+NA)+[-H2O]
Glucose
ME196062
5793
-
0.718
180.0627
GLUCOSE (CAS# 50-99-7); (M+NA)+
Glucose
ME196063
5793
-
0.689
180.0627
TRANS-4-HYDROXYPROLINE (CAS# 51-35-4); (M+H)+
trans-4-Hydroxyproline
ME196316
5810
-
0.706
131.0588
EPINEPHRINE (CAS# 51-43-4); (M+H)+
Epinephrine
ME196045
5816
-
0.793
183.088
EPINEPHRINE (CAS# 51-43-4); (M+H)+[-H2O]
Epinephrine
ME196046
5816
-
0.895
183.0884
THYROXINE (CAS# 51-48-9); (M+H)+
Thyroxine
ME196314
5819
-
16.267
776.6925
THYROXINE (CAS# 51-48-9); (M+NA)+
Thyroxine
ME196315
5819
-
15.786
776.6838
ESTRONE (CAS# 53-16-7); (M+H)+
Estrone
ME196049
5870
-
16.531
270.1598
ESTRONE (CAS# 53-16-7); (M+NA)+
Estrone
ME196050
5870
-
16.063
270.1594
ANDROSTERONE (CAS# 53-41-8); (M+NA)+
Androsterone
ME195960
5879
-
19.893
290.223
3BETA-HYDROXYANDROST-5-EN-17-ONE (CAS# 53-43-0); (...
Dehydroepiandrosterone
ME195915
5881
-
16.908
288.2111
ALANINE (CAS# 56-41-7); (M+H)+
Alanine
ME195955
5950
-
1.449
89.0477
D-GLUCOSE 6-PHOSPHATE (CAS# 56-73-5); (M+NA)+
Glucose 6-phosphate
ME196021
5958
-
1.05
260.0299
GLUTAMINE (CAS# 56-85-9); (M+NA)+
Glutamine
ME196067
5961
-
0.688
146.0684
LYSINE (CAS# 56-87-1); (M+H)+
Lysine
ME196146
5962
-
0.555
146.1055
LYSINE (CAS# 56-87-1); (M+NA)+
Lysine
ME196147
5962
-
0.57
146.1044
FRUCTOSE (CAS# 57-48-7); (M+NA)+
Fructose
ME196054
5984
-
0.702
180.0627
SUCROSE (CAS# 57-50-1); (M+NA)+
Sucrose
ME196299
5988
-
0.717
342.1155
PROGESTERONE (CAS# 57-83-0); (M+H)+
Progesterone
ME196255
5994
-
19.869
314.2219
PROGESTERONE (CAS# 57-83-0); (M+NA)+
Progesterone
ME196256
5994
-
19.791
314.2274
CHOLESTEROL (CAS# 57-88-5); (M+H)+[-H2O]
Cholesterol
ME195989
5997
-
24.612
386.3553
INOSINE (CAS# 58-63-9); (M+H)+
Inosine
ME196105
6021
-
1.829
268.0814
INOSINE (CAS# 58-63-9); (M+NA)+
Inosine
ME196106
6021
-
1.821
268.0812
URIDINE (CAS# 58-96-8); (M+H)+
Uridine
ME196329
6029
-
1.368
244.0692
URIDINE (CAS# 58-96-8); (M+NA)+
Uridine
ME196330
6029
-
1.366
244.0696
QUINOLIN-2-OL (CAS# 59-31-4); (M+H)+
2-Hydroxyquinoline
ME196272
6038
-
7.746
145.0525
QUINOLIN-2-OL (CAS# 59-31-4); (M+NA)+
2-Hydroxyquinoline
ME196273
6038
-
7.834
145.0525
PHENYLEPHRINE (CAS# 59-42-7); (M+H)+
Phenylephrine
ME196247
6041
-
1.059
167.0939
PHENYLEPHRINE (CAS# 59-42-7); (M+H)+[-H2O]
Phenylephrine
ME196248
6041
-
1.28
167.0941
EDTA (CAS# 60-00-4); (M+NA)+
Edetic acid
ME196041
6049
-
1.227
292.0907
TRIBUTYRIN (CAS# 60-01-5); (M+NA)+
TG 4:0/4:0/4:0
ME196317
6050
-
19.332
302.1745
TYROSINE (CAS# 60-18-4); (M+H)+
Tyrosine
ME196324
6057
-
1.353
181.0737
TYROSINE (CAS# 60-18-4); (M+NA)+
Tyrosine
ME196325
6057
-
1.356
181.073
N-METHYLTRYPTAMINE (CAS# 61-49-4); (M+NA)+
N-Methyltryptamine
ME196210
6088
-
4.212
174.1142
LEUCINE (CAS# 328-39-2); (M+H)+
Leucine
ME196134
6106
-
1.621
131.0946
LEUCINE (CAS# 328-39-2); (M+NA)+
Leucine
ME196135
6106
-
1.63
131.0936
CMP (CAS# 63-37-6); (M+H)+
CMP
ME196000
6131
-
0.954
323.0525
METHIONINE (CAS# 63-68-3); (M+H)+
Methionine
ME196159
6137
-
1.016
149.0511
PHENYLALANINE (CAS# 63-91-2); (M+H)+
Phenylalanine
ME196245
6140
-
2.527
165.0779
PHENYLALANINE (CAS# 63-91-2); (M+NA)+
Phenylalanine
ME196246
6140
-
2.588
165.0785
CYTIDINE (CAS# 65-46-3); (M+H)+
Cytidine
ME196019
6175
-
0.891
243.0852
17ALPHA-HYDROXYPROGESTERONE (CAS# 68-96-2); (M+NA)...
17alpha-Hydroxyprogesterone
ME195876
6238
-
17.805
330.2212
MANNITOL (CAS# 69-65-8); (M+NA)+
Mannitol
ME196153
6251
-
0.711
182.0775
D-ORNITHINE (CAS# 348-66-3); (M+H)+
D-Ornithine
ME196023
6262
-
0.555
132.0897
D-ORNITHINE (CAS# 348-66-3); (M+H)+[-H2O]
D-Ornithine
ME196024
6262
-
0.552
132.0895
L-ORNITHINE (CAS# 70-26-8); (M+H)+
Ornithine
ME196126
6262
-
0.555
132.0897
ASPARAGINE (CAS# 70-47-3); (M+NA)+
Asparagine
ME195964
6267
-
0.882
132.0526
L-HISTIDINE (CAS# 71-00-1); (M+H)+
Histidine
ME196121
6274
-
0.713
155.0692
L-HISTIDINE (CAS# 71-00-1); (M+NA)+
Histidine
ME196122
6274
-
0.643
155.0687
VALINE (CAS# 72-18-4); (M+H)+
Valine
ME196334
6287
-
0.912
117.0788
VALINE (CAS# 72-18-4); (M+NA)+
Valine
ME196335
6287
-
0.604
117.0783
THREONINE (CAS# 72-19-5); (M+H)+[-H2O]
Threonine
ME196311
6288
-
1
119.0579
TRYPTOPHAN (CAS# 73-22-3); (M+H)+
Tryptophan
ME196321
6305
-
3.663
204.0886
TRYPTOPHAN (CAS# 73-22-3); (M+NA)+
Tryptophan
ME196322
6305
-
3.663
204.0889
ISOLEUCINE (CAS# 73-32-5); (M+H)+
Isoleucine
ME196107
6306
-
1.567
131.0946
ISOLEUCINE (CAS# 73-32-5); (M+NA)+
Isoleucine
ME196108
6306
-
1.631
131.0936
L-ARGININE (CAS# 74-79-3); (M+H)+
Arginine
ME196115
6322
-
0.664
174.1105
L-ARGININE (CAS# 74-79-3); (M+NA)+
Arginine
ME196116
6322
-
0.624
174.1113
GIBBERELLIC ACID [ISTD] (CAS# 77-06-5); (M+NA)+
Gibberellin A3
ME196059
6466
-
8.565
346.1433
QUINATE (CAS# 77-95-2); (M+H)+
Quinic acid
ME196270
6508
-
1.147
192.0638
QUINATE (CAS# 77-95-2); (M+NA)+
Quinic acid
ME196271
6508
-
0.746
192.0629
PANTOTHENATE (CAS# 79-83-4); (M+H)+
Pantothenic acid
ME196241
6613
-
3.289
219.1108
PANTOTHENATE (CAS# 79-83-4); (M+NA)+
Pantothenic acid
ME196242
6613
-
3.288
219.1111
TAUROCHOLATE (CAS# 81-24-3); (M+NA)+
Taurocholic acid
ME196303
6675
-
17.952
515.2876
4-PYRIDOXATE (CAS# 82-82-6); (M+H)+
4-Pyridoxic acid
ME195928
6723
-
1.918
183.0533
4-PYRIDOXATE (CAS# 82-82-6); (M+H)+[-H2O]
4-Pyridoxic acid
ME195929
6723
-
1.926
183.0514
4-PYRIDOXATE (CAS# 82-82-6); (M+NA)+
4-Pyridoxic acid
ME195930
6723
-
1.912
183.0541
GUANOSINE (CAS# 118-00-3); (M+H)+
Guanosine
ME196083
6802
-
1.828
283.0921
GUANOSINE (CAS# 118-00-3); (M+NA)+
Guanosine
ME196084
6802
-
1.834
283.0918
GAMMA-BUTYROLACTONE (CAS# 96-48-0); (M+H)+
gamma-Butyrolactone
ME196057
7302
-
1.775
86.0373
5-OXOPROLINE (CAS# 4042-36-8); (M+H)+
Pyroglutamic acid
ME195943
7405
-
1.19
129.0428
5-OXOPROLINE (CAS# 4042-36-8); (M+NA)+
Pyroglutamic acid
ME195944
7405
-
1.199
129.0437
BIURET (CAS# 108-19-0); (M+NA)+
Biuret
ME195976
7913
-
1.043
103.0389
NONANOATE (CAS# 112-05-0); (M+NA)+
Pelargonic acid
ME196217
8158
-
13.241
158.1305
BIS(2-ETHYLHEXYL)PHTHALATE (CAS# 117-81-7); (M+H)+
Bis(2-ethylhexyl)phthalate
ME195974
8343
-
23.127
390.2804
BIS(2-ETHYLHEXYL)PHTHALATE (CAS# 117-81-7); (M+NA)...
Bis(2-ethylhexyl)phthalate
ME195975
8343
-
23.128
390.2774
SHIKIMATE (CAS# 138-59-0); (M+H)+[-H2O]
Shikimic acid
ME196290
8742
-
1.06
174.0525
2-METHYLPROPANAL OXIME (CAS# 151-00-8); (M+H)+[-H2...
2-Methylpropanal oxime
ME195888
9023
-
0.735
87.0684
3-METHOXYTYROSINE (CAS# 4214-13-5); (M+H)+
3-Methoxytyrosine
ME195906
9307
-
2.037
211.0849
3-(4-HYDROXYPHENYL)LACTATE (CAS# 6482-98-0); (M+H)...
Hydroxyphenyllactic acid
ME195895
9378
-
3.939
182.0563
3-(4-HYDROXYPHENYL)LACTATE (CAS# 6482-98-0); (M+NA...
Hydroxyphenyllactic acid
ME195896
9378
-
3.845
182.0566
CITRULLINE (CAS# 372-75-8); (M+H)+
Citrulline
ME195998
9750
-
0.668
175.0968
CITRULLINE (CAS# 372-75-8); (M+NA)+
Citrulline
ME195999
9750
-
0.663
175.0942
LITHOCHOLIC ACID (CAS# 434-13-9); (M+NA)+
Lithocholic acid
ME196141
9903
-
22.413
376.2974
4-METHYLCATECHOL (CAS# 452-86-8); (M+H)+
4-Methylcatechol
ME195927
9958
-
2.361
124.052
GLYCOCHOLATE (CAS# 475-31-0); (M+H)+
Glycocholic acid
ME196075
10140
-
18.914
465.3056
GLYCOCHOLATE (CAS# 475-31-0); (M+H)+[-H2O]
Glycocholic acid
ME196076
10140
-
18.78
465.3063
GLYCOCHOLATE (CAS# 475-31-0); (M+NA)+
Glycocholic acid
ME196077
10140
-
18.885
465.3082
4-QUINOLINECARBOXYLIC ACID (CAS# 486-74-8); (M+H)+
4-Quinolinecarboxylic acid
ME195931
10243
-
4.95
173.0468
SALICYLURIC ACID (CAS# 487-54-7); (M+H)+
Salicyluric acid
ME196281
10253
-
6.292
195.0541
SALICYLURIC ACID (CAS# 487-54-7); (M+NA)+
Salicyluric acid
ME196282
10253
-
6.256
195.0545
SUBERIC ACID (CAS# 505-48-6); (M+NA)+
Suberic acid
ME196298
10457
-
8.309
174.0906
ARACHIDIC ACID (CAS# 506-30-9); (M+NA)+
Arachidic acid
ME195962
10467
-
23.225
312.3058
INDOLE-3-ETHANOL (CAS# 526-55-6); (M+H)+
Tryptophanol
ME196104
10685
-
8.35
161.0826
L-CARNITINE (CAS# 541-15-1); (M+H)+
Carnitine
ME196118
10917
-
0.683
161.1043
5-VALEROLACTONE (CAS# 542-28-9); (M+H)+
5-Valerolactone
ME195945
10953
-
2.125
100.0517
2-HYDROXYBUTYRATE (CAS# ); (M+NA)+
2-Hydroxybutyric acid
ME195884
11266
-
1.493
104.0469
ETHYLMALONIC ACID (CAS# 601-75-2); (M+NA)+
Ethylmalonic acid
ME196052
11756
-
3.009
132.0421
GALACTITOL OR DULCITOL (CAS# 608-66-2); (M+NA)+
Galactitol
ME196055
11850
-
0.711
182.0775
MANDELIC ACID (CAS# 611-71-2); (M+H)+[-H2O]
Mandelic acid
ME196152
11914
-
5.354
152.0479
2-METHYLGLUTARIC ACID (CAS# 18069-17-5); (M+H)+[-H...
2-Methylglutaric acid
ME195885
12046
-
3.759
146.0567
2-METHYLGLUTARIC ACID (CAS# 18069-17-5); (M+NA)+
2-Methylglutaric acid
ME195886
12046
-
3.57
146.0578
3-HYDROXYPHENYLACETATE (CAS# 621-37-4); (M+H)+
3-Hydroxyphenylacetic acid
ME195905
12122
-
7.577
152.046
3-METHYGLUTARIC ACID (CAS# 626-51-7); (M+H)+[-H2O]
Methylglutaric acid
ME195907
12284
-
3.816
146.0567
3-METHYGLUTARIC ACID (CAS# 626-51-7); (M+NA)+
Methylglutaric acid
ME195908
12284
-
3.57
146.0578
3-METHYLADIPIC ACID (CAS# 3058-01-3); (M+NA)+
3-Methyladipic acid
ME195911
12292
-
5.716
160.0726
3BETA-HYDROXYANDROST-5-EN-17-ONE 3-SULFATE (CAS# )...
Dehydroepiandrosterone sulfate
ME195916
12594
-
15.107
368.1646
HOMOSERINE (CAS# 672-15-1); (M+H)+
Homoserine
ME196091
12647
-
0.659
119.0594
N-CYCLOHEXYLFORMAMIDE (CAS# 766-93-8); (M+H)+
N-Cyclohexylformamide
ME196201
13017
-
7.975
127.0992
N-CYCLOHEXYLFORMAMIDE (CAS# 766-93-8); (M+NA)+
N-Cyclohexylformamide
ME196202
13017
-
7.98
127.0994
DEOXYURIDINE (CAS# 951-78-0); (M+NA)+
Deoxyuridine
ME196033
13712
-
1.677
228.076
DEOXYADENOSINE (CAS# 16373-93-6); (M+NA)+
Deoxyadenosine
ME196029
13730
-
1.571
251.1033
NICOTINAMIDE MONONUCLEOTIDE (CAS# 1094-61-7); (M+N...
Nicotinamide ribotide
ME196215
14180
-
0.618
334.0599
N-NITROSODIETHANOLAMINE (CAS# 1116-54-7); (M+NA)+
N-Nitrosodiethanolamine
ME196211
14223
-
1.087
134.0678
N-BENZYLOXYCARBONYLGLYCINE (CAS# 1138-80-3); (M+H)...
N-Benzyloxycarbonylglycine
ME196199
14349
-
8.999
209.0703
N-BENZYLOXYCARBONYLGLYCINE (CAS# 1138-80-3); (M+NA...
N-Benzyloxycarbonylglycine
ME196200
14349
-
8.662
209.0691
TRICARBALLYLIC ACID (CAS# 99-14-9); (M+H)+[-H2O]
1,2,3-Propanetricarboxylic acid
ME196318
14925
-
1.132
176.0307
TRICARBALLYLIC ACID (CAS# 99-14-9); (M+NA)+
1,2,3-Propanetricarboxylic acid
ME196319
14925
-
1.215
176.0312
ALPHA-TOCOPHEROL (CAS# 59-02-9); (M+H)+
alpha-Tocopherol
ME195959
14985
-
24.519
430.3802
4-ACETAMIDOBUTANOATE (CAS# 3025-96-5); (M+H)+
4-Acetamidobutanoic acid
ME195917
18189
-
1.83
145.0725
4-ACETAMIDOBUTANOATE (CAS# 3025-96-5); (M+NA)+
4-Acetamidobutanoic acid
ME195918
18189
-
1.827
145.0734
O-ACETYLCARNITINE (CAS# 461-77-8); (M+H)+
CAR 2:0
ME196225
18230
-
0.962
203.1157
NORLEUCINE (CAS# 327-57-1); (M+H)+
Norleucine
ME196220
21236
-
1.629
131.0946
1-METHYLADENOSINE (CAS# 15763-06-1); (M+H)+
1-Methyladenosine
ME195862
27476
-
3.039
281.1122
URSODIOL (CAS# 128-13-2); (M+NA)+
Ursodeoxycholic acid
ME196333
31401
-
21.731
392.2898
GLUTAMATE (CAS# 56-86-0); (M+H)+
Glutamic acid
ME196065
33032
-
0.681
147.053
GLUTAMATE (CAS# 56-86-0); (M+H)+[-H2O]
Glutamic acid
ME196066
33032
-
0.662
147.0522
N-ACETYLGALACTOSAMINE (CAS# 1811-31-0); (M+H)+
N-Acetylgalactosamine
ME196194
35717
-
1.009
221.0902
N-ACETYLGALACTOSAMINE (CAS# 1811-31-0); (M+NA)+
N-Acetylgalactosamine
ME196195
35717
-
0.717
221.0916
2-(DIPHENYLMETHOXY)-N-METHYLETHYLAMINE (CAS# 17471...
-
ME195882
40791
-
11.101
241.1458
ADENOSINE (CAS# 58-61-7); (M+H)+
Adenosine
ME195952
60961
-
1.806
267.0977
3-METHYL-2-BUTENAL (CAS# 107-86-8); (M+NA)+
3-Methyl-2-butenal
ME195909
61020
-
2.622
84.0569
3-AMINOISOBUTANOATE (CAS# 144-90-1); (M+H)+[-H2O]
3-Aminoisobutanoic acid
ME195898
64956
-
1.823
103.0633
XANTHOSINE (CAS# 146-80-5); (M+H)+
Xanthosine
ME196338
64959
-
2.32
284.0782
XANTHOSINE (CAS# 146-80-5); (M+NA)+
Xanthosine
ME196339
64959
-
2.309
284.0757
N(PAI)-METHYL-L-HISTIDINE (CAS# 332-80-9); (M+H)+
3-Methylhistidine
ME196169
64969
-
0.65
169.0845
N(PAI)-METHYL-L-HISTIDINE (CAS# 332-80-9); (M+NA)+
3-Methylhistidine
ME196170
64969
-
0.63
169.084
DUMP (CAS# 964-26-1); (M+K)+
dUMP
ME196040
65063
-
0.897
308.0397
N-ACETYL-L-ASPARTIC ACID (CAS# 997-55-7); (M+H)+[-...
N-Acetylaspartic acid
ME196188
65065
-
0.998
175.0495
N-ACETYL-L-ASPARTIC ACID (CAS# 997-55-7); (M+NA)+
N-Acetylaspartic acid
ME196189
65065
-
1.009
175.0485
3-AMINO-4-HYDROXYBENZOIC ACID (CAS# 1571-72-8); (M...
3-Amino-4-hydroxybenzoic acid
ME195897
65083
-
0.951
153.0426
25-HYDROXYCHOLESTEROL (CAS# 2140-46-7); (M+H)+[-H2...
25-Hydroxycholesterol
ME195893
65094
-
22.858
402.3479
NORVALINE (CAS# 6600-40-4); M+[-CO2H]
Norvaline
ME196224
65098
-
0.912
117.0796
NORVALINE (CAS# 6600-40-4); (M+H)+
Norvaline
ME196223
65098
-
0.912
117.0788
N-ACETYL-DL-SERINE (CAS# 97-14-3); (M+H)+
N-Acetylserine
ME196182
65249
-
0.696
147.053
N-ACETYL-DL-SERINE (CAS# 97-14-3); (M+H)+[-H2O]
N-Acetylserine
ME196183
65249
-
0.875
147.0534
N-ACETYL-DL-SERINE (CAS# 97-14-3); (M+NA)+
N-Acetylserine
ME196184
65249
-
0.783
147.0522
D-LYXOSE (CAS# 1114-34-7); (M+NA)+
Lyxose
ME196022
65550
-
0.735
150.0515
5ALPHA-CHOLEST-7-EN-3BETA-OL (CAS# 80-99-9); (M+H)...
Lathosterol
ME195946
65728
-
24.612
386.3553
ARABINOSE (CAS# 147-81-9); (M+NA)+
Arabinose
ME195961
66308
-
0.793
150.0516
D-(-)-ARABINOSE (CAS# 10323-20-3); (M+NA)+
Arabinose
ME196020
66308
-
0.793
150.0516
3'-CMP (CAS# 63-37-6); (M+H)+
3'-CMP
ME195894
66535
-
0.955
323.0525
1-METHYLURIC ACID (CAS# 708-79-2); (M+H)+
1-Methyluric acid
ME195864
69726
-
2.221
182.0432
3-METHYLXANTHINE (CAS# 1076-22-8); (M+H)+
3-Methylxanthine
ME195912
70639
-
2.262
166.0501
PTERIN (CAS# 2236-60-4); (M+H)+
Pterin
ME196263
73000
-
1.862
163.0483
MONO-METHYL GLUTARATE (CAS# 1501-27-5); (M+H)+[-H2...
Monomethyl glutaric acid
ME196166
73917
-
3.793
146.0567
MONO-METHYL GLUTARATE (CAS# 1501-27-5); (M+NA)+
Monomethyl glutaric acid
ME196167
73917
-
3.57
146.0578
METHYL INDOLE-3-ACETATE (CAS# 1912-33-0); (M+H)+
Indole-3-methyl acetate
ME196161
74706
-
11.745
189.0802
METHYL INDOLE-3-ACETATE (CAS# 1912-33-0); (M+NA)+
Indole-3-methyl acetate
ME196162
74706
-
11.74
189.0794
N-ACETYL-L-PHENYLALANINE (CAS# 2018-61-3); (M+H)+
N-Acetylphenylalanine
ME196192
74839
-
7.498
207.0888
N-ACETYL-L-PHENYLALANINE (CAS# 2018-61-3); (M+NA)+
N-Acetylphenylalanine
ME196193
74839
-
7.774
207.0901
N-ACETYL-L-LEUCINE (CAS# 1188-21-2); (M+H)+
N-Acetylleucine
ME196190
75619
-
7.162
173.1038
N-ACETYL-L-LEUCINE (CAS# 1188-21-2); (M+NA)+
N-Acetylleucine
ME196191
75619
-
7.193
173.1057
GLYCERALDEHYDE (CAS# 367-47-5); (2M+H)+[-H2O]
Glyceraldehyde
ME196069
79014
-
1.622
90.0319
GLYCERALDEHYDE (CAS# 367-47-5); (2M+NA)+[-H2O]
Glyceraldehyde
ME196070
79014
-
1.858
90.0323
RAC-GLYCEROL 1-MYRISTATE (CAS# 75685-84-6); (M+NA)...
MG 14:0
ME196274
79050
-
22.184
302.2433
1-METHYLXANTHINE (CAS# 6136-37-4); (M+H)+
1-Methylxanthine
ME195865
80220
-
2.539
166.0484
1-METHYLXANTHINE (CAS# 6136-37-4); (M+NA)+
1-Methylxanthine
ME195866
80220
-
2.547
166.0492
PROCOLLAGEN 5-HYDROXY-L-LYSINE (CAS# 1190-94-9); (...
-
ME196253
83228
-
0.662
162.1018
PROCOLLAGEN 5-HYDROXY-L-LYSINE (CAS# 1190-94-9); (...
-
ME196254
83228
-
0.674
162.1019
4-ACETAMINOPHEN SULFATE (CAS# 32113-41-0); (M+H)+
Paracetamol sulfate
ME195919
83939
-
2.374
231.0203
4-ACETAMINOPHEN SULFATE (CAS# 32113-41-0); (M+NA)+
Paracetamol sulfate
ME195920
83939
-
2.382
231.0209
P-ACETAMIDOPHENYL BETA-D-GLUCURONIDE (CAS# 120595-...
p-Acetamidophenylglucuronide
ME196235
83944
-
2.268
327.095
P-ACETAMIDOPHENYL BETA-D-GLUCURONIDE (CAS# 120595-...
p-Acetamidophenylglucuronide
ME196236
83944
-
2.267
327.0958
P-ACETAMIDOPHENYL BETA-D-GLUCURONIDE (CAS# 120595-...
p-Acetamidophenylglucuronide
ME196237
83944
-
2.267
327.0959
GALACTURONIC ACID (CAS# 91510-62-2); (2M+NA)+
Galacturonic acid
ME196056
84740
-
0.564
194.0411
M-HYDROXYMANDELIC ACID (CAS# 17119-15-2); (M+H)+[-...
3-Hydroxymandelic acid
ME196148
86957
-
2.184
168.0411
M-HYDROXYMANDELIC ACID (CAS# 17119-15-2); (M+NA)+
3-Hydroxymandelic acid
ME196149
86957
-
2.275
168.0409
M-HYDROXYMANDELIC ACID (CAS# 17119-15-2); (M+NA)+[...
3-Hydroxymandelic acid
ME196150
86957
-
1.748
168.0431
N-ACETYL-L-ALANINE (CAS# 97-69-8); (M+H)+
N-Acetylalanine
ME196185
88064
-
1.529
131.0579
N-ACETYL-L-ALANINE (CAS# 97-69-8); (M+H)+[-H2O]
N-Acetylalanine
ME196186
88064
-
1.279
131.0591
N-ACETYL-L-ALANINE (CAS# 97-69-8); (M+NA)+
N-Acetylalanine
ME196187
88064
-
1.464
131.058
L-METHIONINE SULFOXIMINE (CAS# 15985-39-4); (M+H)+
Methionine sulfoximine
ME196124
89034
-
0.926
180.0552
L-METHIONINE SULFOXIMINE (CAS# 15985-39-4); (M+NA)...
Methionine sulfoximine
ME196125
89034
-
0.663
180.0585
D-PSICOSE (CAS# 551-68-8); (2M+NA)+[-H2O]
Psicose
ME196025
90008
-
0.719
180.0628
DI-TERT-BUTYL DICARBONATE (CAS# 24424-99-5); (M+NA...
Tert-butoxycarbonyl anhydride
ME196037
90495
-
5.688
218.1154
HOMOCYSTEINE (CAS# 454-29-5); (M+H)+
Homocysteine
ME196087
91552
-
0.679
135.0356
3BETA-HYDROXY-5ALPHA-PREGNAN-20-ONE (CAS# 516-55-2...
3beta-Hydroxy-5alpha-pregnan-20-one
ME195914
92787
-
20.765
318.2587
N-ALPHA-ACETYL-L-LYSINE (CAS# 1946-82-3); (M+H)+
N(2)-Acetyllysine
ME196198
92907
-
0.919
188.1156
METHYL BETA-D-GALACTOSIDE (CAS# 1824-94-8); (M+NA)...
Methyl beta-D-galactoside
ME196160
94214
-
0.886
194.0783
GLUCURONIC ACID (CAS# 6556-12-3); (M+NA)+
Glucuronic acid
ME196064
94715
-
0.967
194.0411
L-ALLOTHREONINE (CAS# 28954-12-3); (M+H)+
Allothreonine
ME196113
99289
-
0.659
119.0594
L-ALLOTHREONINE (CAS# 28954-12-3); (M+H)+[-H2O]
Allothreonine
ME196114
99289
-
0.909
119.0586
LANTHIONINE (CAS# 3183-08-2); (M+NA)+
Lanthionine
ME196131
102950
-
0.73
208.0538
SELENOMETHIONINE (CAS# 1464-42-2); (M+H)+
Selenomethionine
ME196286
105024
-
1.501
196.9972
IBUPROFEN (CAS# 15687-27-1); (M+NA)+
Ibuprofen
ME196096
114864
-
18.944
206.1296
SELENOCYSTAMINE (CAS# 2697-61-2); (M+H)+
Selenocystamine
ME196285
115119
-
0.555
247.9344
GLYCOLITHOCHOLATE (CAS# 474-74-8 ); (M+NA)+
Glycolithocholic acid
ME196078
115245
-
21.702
433.3167
5-HYDROXY OMEPRAZOLE (CAS# 92340-57-3); (M+H)+
5-Hydroxyomeprazole
ME195937
119560
-
12.387
361.1106
5-HYDROXY OMEPRAZOLE (CAS# 92340-57-3); (M+NA)+
5-Hydroxyomeprazole
ME195938
119560
-
12.383
361.1109
AHBA (CAS# 76045-71-1); (M+H)+
3-Amino-5-hydroxybenzoic acid
ME195954
127115
-
0.951
153.0426
XYLOSE (CAS# 58-86-6); (2M+NA)+[-H2O]
Xylose
ME196341
135191
-
2.572
150.0531
PROLINE (CAS# 147-85-3); (M+H)+
Proline
ME196257
145742
-
0.706
115.063
PROLINE (CAS# 147-85-3); (M+NA)+
Proline
ME196258
145742
-
0.709
115.064
OMEPRAZOLE SULFONE (CAS# 88546-55-8); (2M+NA)+
Omeprazole sulfone
ME196233
145900
-
12.223
361.1102
OMEPRAZOLE SULFONE (CAS# 88546-55-8); (M+H)+
Omeprazole sulfone
ME196234
145900
-
12.381
361.1106
L-GULONATE (CAS# 6322-07-2); (M+H)+[-H2O]
Gulonic acid
ME196119
152304
-
0.954
196.0589
L-GULONATE (CAS# 6322-07-2); (M+NA)+[-H2O]
Gulonic acid
ME196120
152304
-
0.929
196.0593
NAPROXEN (CAS# 22204-53-1); (M+H)+
Naproxen
ME196212
156391
-
15.812
230.0943
NAPROXEN (CAS# 22204-53-1); (M+NA)+
Naproxen
ME196213
156391
-
15.816
230.0959
NICOTINE (CAS# 54-11-5); (M+H)+
Nicotine
ME196216
157672
-
1.324
162.1144
ABRINE (CAS# 526-31-8); (M+H)+
N(alpha)-Methyl-tryptophan
ME195948
160511
-
3.571
218.1036
KYNURENINE (CAS# 343-65-7); (M+H)+
Kynurenine
ME196111
161166
-
2.234
208.085
KYNURENINE (CAS# 343-65-7); (M+NA)+
Kynurenine
ME196112
161166
-
2.231
208.0856
PINITOL (CAS# 10284-63-6); (M+NA)+
Pinitol
ME196250
164619
-
0.888
194.0783
L-HISTIDINOL (CAS# 4836-52-6); (M+H)+
L-Histidinol
ME196123
165271
-
0.394
141.0907
LAUROYLCARNITINE (CAS# 25518-54-1); (M+H)+
CAR 12:0
ME196132
168381
-
17.799
343.271
LAUROYLCARNITINE (CAS# 25518-54-1); (M+NA)+
CAR 12:0
ME196133
168381
-
17.983
343.271
2'-DEOXYGUANOSINE (CAS# 961-07-9); (M+H)+
Deoxyguanosine
ME195881
187790
-
1.803
267.0977
CHOLATE (CAS# 81-25-4); (M+NA)+
Cholic acid
ME195988
221493
-
20.356
408.2857
ERYTHRITOL (CAS# 149-32-6); (M+NA)+
Erythritol
ME196047
222285
-
0.758
122.0586
DEOXYCHOLIC ACID (CAS# 83-44-3); (2M+NA)+
Deoxycholic acid
ME196030
222528
-
21.748
392.2897
DEOXYCHOLIC ACID (CAS# 83-44-3); (M+H)+
Deoxycholic acid
ME196031
222528
-
21.815
392.2915
DEOXYCHOLIC ACID (CAS# 83-44-3); (M+NA)+
Deoxycholic acid
ME196032
222528
-
21.731
392.2898
CORTISONE (CAS# 53-06-5); (M+H)+
Cortisone
ME196007
222786
-
13.455
360.1921
CORTISONE (CAS# 53-06-5); (M+NA)+
Cortisone
ME196008
222786
-
13.454
360.196
LANOSTEROL (CAS# 79-63-0); (M+NA)+
Lanosterol
ME196130
246983
-
23.364
426.3883
TAUROCHENODEOXYCHOLATE (CAS# 516-35-8); (M+NA)+
Taurochenodeoxycholic acid
ME196302
387316
-
20.274
499.2989
S-ADENOSYL-L-HOMOCYSTEINE (CAS# 979-92-0); (M+H)+
S-Adenosylhomocysteine
ME196280
439155
-
1.544
384.1212
5'-METHYLTHIOADENOSINE (CAS# 2457-80-9); (M+H)+
5'-Methylthioadenosine
ME195932
439176
-
4.541
297.0907
5'-METHYLTHIOADENOSINE (CAS# 2457-80-9); (M+NA)+
5'-Methylthioadenosine
ME195933
439176
-
4.546
297.0917
BETA-MALTOSE (CAS# 69-79-4); (M+NA)+
Maltose
ME195968
439186
-
0.717
342.1155
MALTOSE (CAS# 69-79-4); (M+NA)+
Maltose
ME196151
439186
-
0.717
342.1155
N-ACETYLNEURAMINATE (CAS# 131-48-6); (M+NA)+
N-Acetylneuraminic acid
ME196197
439197
-
0.87
309.1056
MANNOSE-6-PHOSPHATE (CAS# 3672-15-9); (M+NA)+
Mannose 6-phosphate
ME196154
439198
-
1.04
260.0306
GLUCOSAMINE 6-PHOSPHATE (CAS# 3616-42-0); (M+H)+
Glucosamine 6-phosphate
ME196060
439217
-
0.734
259.046
CARNOSINE (CAS# 305-84-0); (M+H)+
Carnosine
ME195985
439224
-
0.641
226.1055
CARNOSINE (CAS# 305-84-0); (M+NA)+
Carnosine
ME195986
439224
-
0.682
226.1056
MEVALONIC ACID (CAS# 674-26-0); (M+NA)+
Mevalonic acid
ME196164
439230
-
1.736
148.0738
MEVALONIC ACID (CAS# 674-26-0); (M+NA)+[-H2O]
Mevalonic acid
ME196165
439230
-
1.78
148.0737
RAFFINOSE (CAS# 512-69-6); (M+K)+
Raffinose
ME196275
439242
-
0.72
504.1665
RAFFINOSE (CAS# 512-69-6); (M+NA)+
Raffinose
ME196276
439242
-
0.724
504.1683
CYSTATHIONINE (CAS# 56-88-2); (M+H)+[-H2O]
Cystathionine
ME196016
439258
-
0.707
222.0687
2-DEOXY-D-GLUCOSE (CAS# 154-17-6); (M+NA)+
2-Deoxy-glucose
ME195883
439268
-
0.721
164.068
5-HYDROXYTRYPTOPHAN (CAS# 4350-09-8); (M+H)+
5-Hydroxy-tryptophan
ME195941
439280
-
1.81
220.0845
SN-GLYCERO-3-PHOSPHOCHOLINE (CAS# 28319-77-9); (M+...
sn-Glycero-3-phosphocholine
ME196291
439285
-
0.686
257.1025
N-METHYL-L-GLUTAMATE (CAS# 6753-62-4); (M+H)+[-H2O...
N-Methyl-glutamic acid
ME196206
439377
-
1.922
161.0676
N-METHYL-L-GLUTAMATE (CAS# 6753-62-4); (M+NA)+
N-Methyl-glutamic acid
ME196207
439377
-
1.928
161.0686
N-METHYL-L-GLUTAMATE (CAS# 6753-62-4); (M+NA)+[-H2...
N-Methyl-glutamic acid
ME196208
439377
-
1.885
161.0695
O-SUCCINYL-L-HOMOSERINE (CAS# 1492-23-5); (M+H)+
o-Succinylhomoserine
ME196227
439406
-
0.622
219.0728
ALLOSE (CAS# 2595-97-3); (M+H)+[-H2O]
Allose
ME195956
439507
-
1.749
180.0618
ALLOSE (CAS# 2595-97-3); (M+NA)+[-H2O]
Allose
ME195957
439507
-
1.865
180.0624
STACHYOSE (CAS# 54261-98-2); (M+NA)+
Stachyose
ME196297
439531
-
0.718
666.2205
PALATINOSE (CAS# 343336-76-5); (M+NA)+
Palatinose
ME196238
439559
-
0.717
342.1155
DESMOSTEROL (CAS# 313-04-2); (M+H)+[-H2O]
Desmosterol
ME196034
439577
-
24.297
384.3395
TAUROLITHOCHOLATE (CAS# 516-90-5); (M+H)+
Taurolithocholic acid
ME196304
439763
-
21.728
483.2987
TAUROLITHOCHOLATE (CAS# 516-90-5); (M+NA)+
Taurolithocholic acid
ME196305
439763
-
21.747
483.3053
N-ACETYL-D-TRYPTOPHAN (CAS# 2280-01-5); (M+H)+
N-Acetyl-D-tryptophan
ME196175
439917
-
8.015
246.1019
4-HYDROXY-L-PROLINE (CAS# 2584-71-6); (M+H)+
cis-4-Hydroxyproline
ME195924
440015
-
0.706
131.0588
(S)-2-AMINO-3-(3-HYDOXY-4-OXO-4H-PYRIDIN-1-YL)PROP...
Mimosine
ME195860
440473
-
0.892
198.0656
MELIBIOSE (CAS# 585-99-9); (M+K)+
Melibiose
ME196157
440658
-
0.727
342.1167
MELIBIOSE (CAS# 585-99-9); (M+NA)+
Melibiose
ME196158
440658
-
0.717
342.1155
11-DEOXYCORTISOL (CAS# 152-58-9); (M+NA)+
11-Deoxycortisol
ME195871
440707
-
15.538
346.212
LACTOSE (CAS# 63-42-3); (M+K)+
Lactose
ME196128
440995
-
0.727
342.1167
LACTOSE (CAS# 63-42-3); (M+NA)+
Lactose
ME196129
440995
-
0.717
342.1155
EPIANDROSTERONE (CAS# 481-29-8); (M+H)+[-H2O]
Epiandrosterone
ME196044
441302
-
18.076
290.2239
CITRAMALATE (CAS# 2306-22-1); (M+H)+
Citramalic acid
ME195995
441696
-
1.642
148.0363
CINNAMIC ACID (CAS# 140-10-3); (M+H)+[-H2O]
trans-Cinnamic acid
ME195991
444539
-
11.608
148.0512
DETHIOBIOTIN (CAS# 533-48-2); (M+H)+[-H2O]
Dethiobiotin
ME196035
445027
-
8.104
214.1317
OLEIC ACID (CAS# 112-80-1); (M+H)+
Oleic acid
ME196230
445639
-
22.567
282.2537
OLEIC ACID (CAS# 112-80-1); (M+NA)+
Oleic acid
ME196231
445639
-
22.565
282.2552
UDP-N-ACETYL-D-GLUCOSAMINE (CAS# 528-04-1); (M+H)+
UDP-N-acetylglucosamine
ME196326
445675
-
1.62
607.0781
N-ACETYL-D-GLUCOSAMINE (CAS# 7512-17-6); (M+H)+
N-Acetylglucosamine
ME196171
446101
-
1.009
221.0902
N-ACETYL-D-GLUCOSAMINE (CAS# 7512-17-6); (M+NA)+
N-Acetylglucosamine
ME196172
446101
-
0.717
221.0916
DIETHYLSTILBESTROL (CAS# 56-53-1); (M+NA)+
Diethylstilbestrol
ME196038
448537
-
18.824
268.1449
N-ACETYL-DL-METHIONINE (CAS# 1115-47-5); (M+H)+
N-Acetylmethionine
ME196179
448580
-
4.092
191.0607
N-ACETYL-DL-METHIONINE (CAS# 1115-47-5); (M+H)+[-H...
N-Acetylmethionine
ME196180
448580
-
3.806
191.06
N-ACETYL-DL-METHIONINE (CAS# 1115-47-5); (M+NA)+
N-Acetylmethionine
ME196181
448580
-
4.098
191.0616
ZEATIN [ISTD] (CAS# 13114-27-7); (M+H)+
trans-Zeatin
ME196342
449093
-
3.941
219.1124
16:0 LYSO PC (CAS# 17364-16-8); (M+H)+
LPC 16:0
ME195872
460602
-
22.315
495.3296
16:0 LYSO PC (CAS# 17364-16-8); (M+NA)+
LPC 16:0
ME195873
460602
-
22.257
495.3342
RIBOFLAVIN (CAS# 83-88-5); (M+NA)+
Riboflavin
ME196278
493570
-
7.675
376.1396
ELAIDIC ACID (CAS# 112-79-8); (M+H)+
Elaidic acid
ME196042
637517
-
22.95
282.255
ELAIDIC ACID (CAS# 112-79-8); (M+NA)+
Elaidic acid
ME196043
637517
-
22.783
282.2567
2-METHYLMALEATE (CAS# 498-23-7); (M+H)+
Citraconic acid
ME195887
643798
-
2.594
130.0263
SPHINGANINE (CAS# 764-22-7); (M+H)+
Sphinganine
ME196294
644260
-
20.882
301.2968
SPHINGANINE (CAS# 764-22-7); (M+NA)+
Sphinganine
ME196295
644260
-
21.017
301.2962
4-HYDROXY-3-METHOXYPHENYLGLYCOL (CAS# 67423-45-4);...
Vanylglycol
ME195923
688030
-
2.593
184.0732
NORMETANEPHRINE (CAS# 0); (M+H)+
Normetanephrine
ME196221
688100
-
2.575
183.089
NORMETANEPHRINE (CAS# 0); (M+H)+[-H2O]
Normetanephrine
ME196222
688100
-
2.62
183.0883
CIS-ZEATIN (CAS# 1637-39-4); (M+H)+
cis-Zeatin
ME195994
688597
-
3.941
219.1124
UROCANATE (CAS# 104-98-3); (M+H)+
Urocanic acid
ME196331
736715
-
0.993
138.0432
UROCANATE (CAS# 104-98-3); (M+NA)+
Urocanic acid
ME196332
736715
-
0.712
138.0443
(-)-COTININE (CAS# 486-56-6); (M+H)+
Cotinine
ME195857
854019
-
1.796
176.0953
BOC-LYS-OH (CAS# 13734-28-6); (M+H)+
-
ME195977
2733284
-
4.724
246.1597
BILIRUBIN (CAS# 635-65-4); (M+H)+[-H2O]
Bilirubin
ME195971
5280352
-
11.158
584.2625
BILIVERDIN (CAS# 114-25-0); (M+H)+
Biliverdin
ME195972
5280353
-
18.593
582.2505
BILIVERDIN (CAS# 114-25-0); (M+NA)+
Biliverdin
ME195973
5280353
-
18.597
582.2528
PROSTAGLANDIN E2 (CAS# 363-24-6); (M+H)+
PGE2
ME196259
5280360
-
16.467
352.2245
PROSTAGLANDIN E2 (CAS# 363-24-6); (M+H)+[-H2O]
PGE2
ME196260
5280360
-
16.959
352.2235
PROSTAGLANDIN E2 (CAS# 363-24-6); (M+NA)+
PGE2
ME196261
5280360
-
16.753
352.2263
SQUALENE (CAS# 111-02-4); (M+K)+
Squalene
ME196296
5280370
-
24.365
410.3946
LEUKOTRIENE B4 (CAS# 71160-24-2); (M+H)+
LTB4
ME196136
5280492
-
20.659
336.2287
LEUKOTRIENE B4 (CAS# 71160-24-2); (M+H)+[-H2O]
LTB4
ME196137
5280492
-
20.793
336.2272
LEUKOTRIENE B4 (CAS# 71160-24-2); (M+NA)+
LTB4
ME196138
5280492
-
20.678
336.2304
GAMMA-LINOLENIC ACID (CAS# 506-26-3); (M+NA)+
gamma-Linolenic acid
ME196058
5280933
-
22.869
278.222
ALPHA-LINOLENIC ACID (CAS# 463-40-1); (M+NA)+
alpha-Linolenic acid
ME195958
5280934
-
22.869
278.222
JASMONIC ACID [ISTD] (CAS# 77026-92-7); (M+H)+
Jasmonic acid
ME196109
5281166
-
13.215
210.1256
JASMONIC ACID [ISTD] (CAS# 77026-92-7); (M+NA)+
Jasmonic acid
ME196110
5281166
-
13.228
210.1258
METHYL JASMONATE (CAS# 1211-29-6); (M+NA)+
Methyl jasmonate
ME196163
5281929
-
15.993
224.1406
CIS-VACCENIC ACID (CAS# 506-17-2); (M+H)+
cis-Vaccenic acid
ME195992
5282761
-
22.95
282.255
CIS-VACCENIC ACID (CAS# 506-17-2); (M+K)+
cis-Vaccenic acid
ME195993
5282761
-
22.782
282.2578
THROMBOXANE B2 (CAS# 54397-85-2); (M+H)+[-H2O]
TXB2
ME196312
5283137
-
16.467
370.2351
OLEAMIDE (CAS# 301-02-0); (M+H)+
Oleamide
ME196228
5283387
-
22.648
281.2695
OLEAMIDE (CAS# 301-02-0); (M+NA)+
Oleamide
ME196229
5283387
-
22.652
281.2716
1-OLEOYL-RAC-GLYCEROL (CAS# 111-03-5); (M+H)+
MG 18:1
ME195867
5283468
-
22.736
356.2934
1-OLEOYL-RAC-GLYCEROL (CAS# 111-03-5); (M+H)+[-H2O...
MG 18:1
ME195868
5283468
-
22.741
356.2895
1-OLEOYL-RAC-GLYCEROL (CAS# 111-03-5); (M+NA)+
MG 18:1
ME195869
5283468
-
22.728
356.2923
CALCIDIOL (CAS# 19356-17-3); (M+H)+[-H2O]
25-Hydroxyvitamin D3
ME195983
5283731
-
22.433
400.3354
CALCIDIOL (CAS# 19356-17-3); (M+NA)+
25-Hydroxyvitamin D3
ME195984
5283731
-
22.798
400.332
HYODEOXYCHOLATE (CAS# 83-49-8); (M+NA)+
Hyodeoxycholic acid
ME196093
5283820
-
20.128
392.291
LUMICHROME (CAS# 1086-80-2); (M+H)+
Lumichrome
ME196144
5326566
-
11.034
242.0814
LUMICHROME (CAS# 1086-80-2); (M+NA)+
Lumichrome
ME196145
5326566
-
11
242.0823
LEVORPHANOL (CAS# 77-07-6); (M+H)+
Levorphanol
ME196139
5359272
-
7.4
257.1772
DEXTROMETHORPHAN (CAS# 125-69-9); (M+H)+
Dextromethorphan
ME196036
5360696
-
11.234
271.1938
1-AMINOCYCLOPROPANE-1-CARBOXYLATE (CAS# 22059-21-8...
1-Aminocyclopropanecarboxylic acid
ME195861
5460234
-
1.061
101.0468
(+)-3-HYDROXYMORPHINAN (CAS# 15676-23-0); (M+H)+
-
ME195856
5463854
-
7.625
243.1611
MELANIN (CAS# 8049-97-6); (M+H)+
Melanin
ME196155
6325610
-
1.199
318.0625
CYSTINE (CAS# 56-89-3); (M+H)+
Cystine
ME196017
6857538
-
0.731
240.0219
CYSTINE (CAS# 56-89-3); (M+NA)+
Cystine
ME196018
6857538
-
0.703
240.0218
10-HYDROXYDECANOATE (CAS# 1679-53-4); (M+NA)+
10-Hydroxydecanoic acid
ME195870
6991989
-
13.425
188.142
(-)-SALSOLINOL (CAS# 27740-96-1); (M+H)+
Salsolinol
ME195858
7157331
-
1.309
179.0933
18:0 LYSO-PE (CAS# 69747-55-3); (2M+H)+
LPE 18:0
ME195877
9547068
-
22.942
481.3195
18:0 LYSO-PE (CAS# 69747-55-3); (2M+NA)+
LPE 18:0
ME195878
9547068
-
22.484
481.3194
18:0 LYSO-PE (CAS# 69747-55-3); (M+H)+
LPE 18:0
ME195879
9547068
-
22.769
481.3198
18:0 LYSO-PE (CAS# 69747-55-3); (M+NA)+
LPE 18:0
ME195880
9547068
-
22.401
481.3162
GLYCOCHENODEOXYCHOLATE (CAS# 640-79-9); (M+H)+
Glycochenodeoxycholic acid
ME196072
9548796
-
20.692
449.3098
GLYCOCHENODEOXYCHOLATE (CAS# 640-79-9); (M+H)+[-H2...
Glycochenodeoxycholic acid
ME196073
9548796
-
20.414
449.3118
GLYCOCHENODEOXYCHOLATE (CAS# 640-79-9); (M+NA)+
Glycochenodeoxycholic acid
ME196074
9548796
-
20.337
449.3146
5-METHYLTETRAHYDROFOLATE (CAS# 134-35-0); (M+H)+
5-Methyl-THF
ME195942
9825434
-
3.728
459.1866
IBUPROFEN CARBOXYLIC ACID (CAS# 15935-54-3); (M+H)...
-
ME196097
10444113
-
13.052
236.1053
IBUPROFEN CARBOXYLIC ACID (CAS# 15935-54-3); (M+NA...
-
ME196098
10444113
-
13.067
236.1054
PALMITOYLCARNITINE (CAS# 2364-67-2); (M+H)+
CAR 16:0
ME196239
11953816
-
21.39
399.3351
PALMITOYLCARNITINE (CAS# 2364-67-2); (M+NA)+
CAR 16:0
ME196240
11953816
-
21.39
399.3347
L-TRYPTOPHAN-15N2 [ISTD] (CAS# ); (M+H)+
Tryptophan
ME196127
16217285
-
3.663
206.085
L-ARGININE-(GUANIDINEIMINO-15N2) [ISTD] (CAS# ); (...
-
ME196117
16217579
-
0.663
176.1041
16:0-18:0 PC (CAS# 59403-51-9); (M+H)+
PC 16:0_18:0
ME195874
18631368
-
25.713
761.5928
16:0-18:0 PC (CAS# 59403-51-9); (M+NA)+
PC 16:0_18:0
ME195875
18631368
-
25.637
761.5988
20:0 LYSO PC (CAS# 108341-80-6); (M+H)+
LPC 20:0
ME195889
24779473
-
23.227
551.3961
20:0 LYSO PC (CAS# 108341-80-6); (M+NA)+
LPC 20:0
ME195890
24779473
-
23.047
551.3941
24:0 SM (D18:1/24:0) (CAS# 60037-60-7); (M+H)+
SM 18:1;O2/24:0
ME195891
44260127
-
28.141
814.7008
24:0 SM (D18:1/24:0) (CAS# 60037-60-7); (M+NA)+
SM 18:1;O2/24:0
ME195892
44260127
-
28.021
814.6951
C12 GALACTOSYL(BETA) CERAMIDE (D18:1/12:0) (CAS# 4...
-
ME195978
46891735
-
23.291
643.5081
C12 GALACTOSYL(BETA) CERAMIDE (D18:1/12:0) (CAS# 4...
-
ME195979
46891735
-
23.267
643.5054
C12 GALACTOSYL(BETA) CERAMIDE (D18:1/12:0) (CAS# 4...
-
ME195980
46891735
-
23.25
643.5021
N-ACETYL-D-MANNOSAMINE (CAS# 3615-17-6); (M+H)+
N-Acetyl-mannosamine
ME196173
53477792
-
1.009
221.0902
N-ACETYL-D-MANNOSAMINE (CAS# 3615-17-6); (M+NA)+
N-Acetyl-mannosamine
ME196174
53477792
-
0.717
221.0916
ASCORBATE (CAS# 50-81-7); (M+H)+[-H2O]
Vitamin C
ME195963
54670067
-
1.132
176.0307
CREATININE-(GUANIDINO-13C) [ISTD] (CAS# ); (2M+H)+
-
ME196012
71309782
-
0.731
114.0615
CREATININE-(GUANIDINO-13C) [ISTD] (CAS# ); (2M+NA)...
-
ME196013
71309782
-
0.691
114.0613
CREATININE-(GUANIDINO-13C) [ISTD] (CAS# ); (M+H)+
-
ME196014
71309782
-
0.665
114.0613
CREATININE-(GUANIDINO-13C) [ISTD] (CAS# ); (M+NA)+
-
ME196015
71309782
-
0.69
114.0618
VITAMIN B12 (CAS# 68-19-9); (M+2NA)+2
Vitamin B12
ME196336
118701016
-
6.996
1354.5581
Analysis: C18 NEGATIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
CL 66:1; [M-2H](2-)@6.33
CL 66:1
ME196343
-
-
6.33
-
CL 70:1; [M-2H](2-)@6.82
CL 70:1
ME196344
-
-
6.82
-
CL 70:5; [M-2H](2-)@6.12
CL 70:5
ME196345
-
-
6.12
-
CL 72:3; [M-2H](2-)@6.84
CL 72:3
ME196346
-
-
6.84
-
CL 72:5; [M-2H](2-)@7.40
CL 72:5
ME196347
-
-
7.4
-
CL 72:6; [M-2H](2-)@6.93
CL 72:6
ME196348
-
-
6.93
-
CL 72:8; [M-2H](2-)@6.77
CL 72:8
ME196349
-
-
6.77
-
CL 74:1; [M-2H](2-)@7.31
CL 74:1
ME196351
-
-
7.57
-
CL 74:1; [M-2H](2-)@7.57
CL 74:1
ME196350
-
-
7.57
-
CL 74:3; [M-2H](2-)@7.04
CL 74:3
ME196352
-
-
7.04
-
CL 74:4; [M-2H](2-)@6.51
CL 74:4
ME196353
-
-
6.51
-
CL 74:5; [M-2H](2-)@6.67
CL 74:5
ME196354
-
-
6.67
-
CL 74:7; [M-2H](2-)@6.22
CL 74:7
ME196355
-
-
6.22
-
CL 74:9; [M-2H](2-)@6.11
CL 74:9
ME196356
-
-
6.11
-
CL 76:10; [M-2H](2-)@6.88
CL 76:10
ME196357
-
-
6.88
-
CL 76:13; [M-2H](2-)@6.69
CL 76:13
ME196358
-
-
6.69
-
CL 76:7; [M-2H](2-)@6.76
CL 76:7
ME196359
-
-
6.76
-
CL 76:8; [M-2H](2-)@7.51
CL 76:8
ME196360
-
-
7.51
-
CL 76:9; [M-2H](2-)@7.39
CL 76:9
ME196361
-
-
7.39
-
CL 78:11; [M-2H](2-)@6.39
CL 78:11
ME196362
-
-
6.39
-
CL 78:4; [M-2H](2-)@7.12
CL 78:4
ME196363
-
-
7.12
-
CL 78:5; [M-2H](2-)@7.35
CL 78:5
ME196364
-
-
7.35
-
CL 78:7; [M-2H](2-)@5.56
CL 78:7
ME196365
-
-
6.94
-
CL 78:7; [M-2H](2-)@6.94
CL 78:7
ME196366
-
-
6.94
-
CL 78:8; [M-2H](2-)@6.39
CL 78:8
ME196367
-
-
6.39
-
CL 78:9; [M-2H](2-)@6.61
CL 78:9
ME196368
-
-
6.61
-
CL 82:11; [M-2H](2-)@6.90
CL 82:11
ME196369
-
-
6.9
-
CL 82:13; [M-2H](2-)@6.51
CL 82:13
ME196370
-
-
6.51
-
CL 82:9; [M-2H](2-)@7.31
CL 82:9
ME196371
-
-
7.31
-
lysoPE 16:0; [M-H]-@1.78
LPE 16:0
ME196500
-
-
1.78
-
lysoPE 18:0; [M-H]-@2.60
LPE 18:0
ME196501
-
-
2.6
-
lysoPE 18:1; [M-H]-@1.94
LPE 18:1
ME196502
-
-
1.94
-
lysoPE 18:2; [M-H]-@1.47
LPE 18:2
ME196503
-
-
1.47
-
lysoPE 20:3; [M-H]-@1.72
LPE 20:3
ME196504
-
-
1.72
-
lysoPE 20:4; [M-H]-@1.44
LPE 20:4
ME196505
-
-
1.44
-
lysoPE 20:5; [M-H]-@1.14
LPE 20:5
ME196506
-
-
1.14
-
lysoPE 22:1; [M-H]-@3.60
LPE 22:1
ME196507
-
-
3.6
-
lysoPE 22:4; [M-H]-@2.01
LPE 22:4
ME196508
-
-
2.01
-
lysoPE 22:5; [M-H]-@1.67
LPE 22:5
ME196509
-
-
1.67
-
lysoPE 22:6; [M-H]-@1.39
LPE 22:6
ME196510
-
-
1.39
-
PA 29:0; [M-H]-@3.28
PA 29:0
ME196372
-
-
3.28
-
PA 33:2; [M-H]-@2.02
PA 33:2
ME196373
-
-
2.02
-
PA 34:0; [M-H]-@6.94
PA 34:0
ME196374
-
-
6.94
-
PA 36:2; [M-H]-@1.95
PA 36:2
ME196375
-
-
1.95
-
PA 38:2; [M-H]-@7.66
PA 38:2
ME196376
-
-
7.66
-
PA 40:3; [M-H]-@7.39
PA 40:3
ME196377
-
-
7.39
-
PA 40:4; [M-H]-@6.89
PA 40:4
ME196378
-
-
6.89
-
PA 40:5; [M-H]-@6.71
PA 40:5
ME196379
-
-
6.71
-
PA 43:6; [M-H]-@6.41
PA 43:6
ME196380
-
-
6.41
-
PC 28:0; [M-Ac-H]-@5.44
PC 28:0
ME196381
-
-
5.44
-
PC 30:0; [M-Ac-H]-@6.14
PC 30:0
ME196382
-
-
6.14
-
PC 30:1; [M-Ac-H]-@5.59
PC 30:1
ME196383
-
-
5.59
-
PC 30:2; [M-Ac-H]-@5.03
PC 30:2
ME196384
-
-
5.03
-
PC 31:0; [M-Ac-H]-@6.40
PC 31:0
ME196385
-
-
6.4
-
PC 32:0; [M-Ac-H]-@6.80
PC 32:0
ME196386
-
-
6.8
-
PC 32:1; [M-Ac-H]-@6.29
PC 32:1
ME196387
-
-
6.29
-
PC 32:2; [M-Ac-H]-@5.79
PC 32:2
ME196388
-
-
5.79
-
PC 32:3; [M-Ac-H]-@5.36
PC 32:3
ME196389
-
-
5.36
-
PC 33:0; [M-Ac-H]-@6.41
PC 33:0
ME196390
-
-
6.41
-
PC 33:1; [M-Ac-H]-@6.70
PC 33:1
ME196391
-
-
6.7
-
PC 33:2; [M-Ac-H]-@6.14
PC 33:2
ME196392
-
-
6.14
-
PC 33:3; [M-Ac-H]-@5.68
PC 33:3
ME196393
-
-
5.68
-
PC 34:0; [M-Ac-H]-@7.44
PC 34:0
ME196394
-
-
7.44
-
PC 34:1; [M-Ac-H]-@5.07
PC 34:1
ME196396
-
-
9.14
-
PC 34:1; [M-Ac-H]-@6.83
PC 34:1
ME196398
-
-
9.14
-
PC 34:1; [M-Ac-H]-@8.66
PC 34:1
ME196397
-
-
9.14
-
PC 34:1; [M-Ac-H]-@9.14
PC 34:1
ME196395
-
-
9.14
-
PC 34:2; [M-Ac-H]-@4.54
PC 34:2
ME196399
-
-
4.54
-
PC 34:3; [M-Ac-H]-@5.95
PC 34:3
ME196400
-
-
5.95
-
PC 34:4; [M-Ac-H]-@5.73
PC 34:4
ME196401
-
-
5.73
-
PC 34:5; [M-Ac-H]-@5.27
PC 34:5
ME196402
-
-
5.27
-
PC 35:0; [M-Ac-H]-@7.83
PC 35:0
ME196403
-
-
7.83
-
PC 35:1; [M-Ac-H]-@7.24
PC 35:1
ME196404
-
-
7.24
-
PC 35:2; [M-Ac-H]-@6.78
PC 35:2
ME196405
-
-
7.16
-
PC 35:2; [M-Ac-H]-@7.16
PC 35:2
ME196406
-
-
7.16
-
PC 35:3; [M-Ac-H]-@6.31
PC 35:3
ME196407
-
-
6.31
-
PC 35:4; [M-Ac-H]-@6.12
PC 35:4
ME196408
-
-
6.12
-
PC 35:5; [M-Ac-H]-@5.67
PC 35:5
ME196409
-
-
5.67
-
PC 36:1; [M-Ac-H]-@7.53
PC 36:1
ME196410
-
-
7.53
-
PC 36:2; [M-Ac-H]-@5.17
PC 36:2
ME196412
-
-
7.04
-
PC 36:2; [M-Ac-H]-@7.04
PC 36:2
ME196411
-
-
7.04
-
PC 36:3; [M-Ac-H]-@6.58
PC 36:3
ME196413
-
-
6.74
-
PC 36:3; [M-Ac-H]-@6.74
PC 36:3
ME196414
-
-
6.74
-
PC 36:4; [M-Ac-H]-@4.01
PC 36:4
ME196416
-
-
6.24
-
PC 36:4; [M-Ac-H]-@6.24
PC 36:4
ME196415
-
-
6.24
-
PC 36:5; [M-Ac-H]-@5.88
PC 36:5
ME196417
-
-
5.88
-
PC 36:6; [M-Ac-H]-@5.60
PC 36:6
ME196418
-
-
5.6
-
PC 37:1; [M-Ac-H]-@7.86
PC 37:1
ME196419
-
-
7.86
-
PC 37:2; [M-Ac-H]-@7.44
PC 37:2
ME196420
-
-
7.44
-
PC 37:3; [M-Ac-H]-@6.99
PC 37:3
ME196421
-
-
6.99
-
PC 37:4; [M-Ac-H]-@6.74
PC 37:4
ME196422
-
-
6.74
-
PC 37:5; [M-Ac-H]-@6.29
PC 37:5
ME196423
-
-
6.29
-
PC 37:6; [M-Ac-H]-@5.96
PC 37:6
ME196424
-
-
5.96
-
PC 37:7; [M-Ac-H]-@5.64
PC 37:7
ME196425
-
-
5.64
-
PC 38:1; [M-Ac-H]-@8.08
PC 38:1
ME196426
-
-
8.08
-
PC 38:2; [M-Ac-H]-@7.69
PC 38:2
ME196427
-
-
7.69
-
PC 38:3; [M-Ac-H]-@7.23
PC 38:3
ME196428
-
-
7.34
-
PC 38:3; [M-Ac-H]-@7.34
PC 38:3
ME196429
-
-
7.34
-
PC 38:4; [M-Ac-H]-@6.89
PC 38:4
ME196431
-
-
7.08
-
PC 38:4; [M-Ac-H]-@7.08
PC 38:4
ME196430
-
-
7.08
-
PC 38:5; [M-Ac-H]-@6.56
PC 38:5
ME196432
-
-
6.56
-
PC 38:6; [M-Ac-H]-@6.19
PC 38:6
ME196433
-
-
6.19
-
PC 38:7; [M-Ac-H]-@5.68
PC 38:7
ME196434
-
-
5.68
-
PC 39:3; [M-Ac-H]-@7.60
PC 39:3
ME196435
-
-
7.6
-
PC 39:4; [M-Ac-H]-@7.41
PC 39:4
ME196436
-
-
7.41
-
PC 39:5; [M-Ac-H]-@6.30
PC 39:5
ME196437
-
-
6.3
-
PC 39:6; [M-Ac-H]-@6.58
PC 39:6
ME196438
-
-
6.58
-
PC 40:4; [M-Ac-H]-@7.50
PC 40:4
ME196439
-
-
7.5
-
PC 40:5; [M-Ac-H]-@7.23
PC 40:5
ME196440
-
-
7.23
-
PC 40:6; [M-Ac-H]-@6.89
PC 40:6
ME196441
-
-
6.89
-
PC 40:7; [M-Ac-H]-@6.38
PC 40:7
ME196442
-
-
6.38
-
PC 40:8; [M-Ac-H]-@5.95
PC 40:8
ME196443
-
-
5.95
-
PC 40:9; [M-Ac-H]-@5.59
PC 40:9
ME196444
-
-
5.59
-
PC 42:10; [M-Ac-H]-@5.87
PC 42:10
ME196445
-
-
5.87
-
PC 42:2; [M-Ac-H]-@8.96
PC 42:2
ME196446
-
-
8.96
-
PE 32:1; [M-H]-@6.34
PE 32:1
ME196447
-
-
6.34
-
PE 33:2; [M-H]-@6.16
PE 33:2
ME196448
-
-
6.16
-
PE 34:0; [M-H]-@7.38
PE 34:0
ME196449
-
-
7.38
-
PE 34:1; [M-H]-@6.95
PE 34:1
ME196450
-
-
6.95
-
PE 34:2; [M-H]-@6.50
PE 34:2
ME196451
-
-
6.5
-
PE 34:3; [M-H]-@6.13
PE 34:3
ME196452
-
-
6.13
-
PE 35:2; [M-H]-@6.81
PE 35:2
ME196453
-
-
6.81
-
PE 36:0; [M-H]-@7.95
PE 36:0
ME196454
-
-
7.95
-
PE 36:1; [M-H]-@7.53
PE 36:1
ME196455
-
-
7.58
-
PE 36:1; [M-H]-@7.58
PE 36:1
ME196456
-
-
7.58
-
PE 36:2; [M-H]-@7.00
PE 36:2
ME196457
-
-
7.11
-
PE 36:2; [M-H]-@7.11
PE 36:2
ME196458
-
-
7.11
-
PE 36:3; [M-H]-@6.64
PE 36:3
ME196459
-
-
6.64
-
PE 36:4; [M-H]-@6.35
PE 36:4
ME196460
-
-
6.35
-
PE 36:5; [M-H]-@6.11
PE 36:5
ME196461
-
-
6.11
-
PE 37:3; [M-H]-@7.67
PE 37:3
ME196462
-
-
7.67
-
PE 37:4; [M-H]-@6.74
PE 37:4
ME196463
-
-
6.74
-
PE 37:5; [M-H]-@6.41
PE 37:5
ME196464
-
-
6.41
-
PE 38:2; [M-H]-@7.66
PE 38:2
ME196465
-
-
7.66
-
PE 38:3; [M-H]-@7.33
PE 38:3
ME196466
-
-
7.33
-
PE 38:4; [M-H]-@7.03
PE 38:4
ME196467
-
-
7.12
-
PE 38:4; [M-H]-@7.12
PE 38:4
ME196468
-
-
7.12
-
PE 38:5; [M-H]-@6.61
PE 38:5
ME196469
-
-
6.61
-
PE 38:6; [M-H]-@6.28
PE 38:6
ME196470
-
-
6.28
-
PE 39:6; [M-H]-@6.71
PE 39:6
ME196471
-
-
6.71
-
PE 40:4; [M-H]-@7.52
PE 40:4
ME196472
-
-
7.52
-
PE 40:5; [M-H]-@7.23
PE 40:5
ME196473
-
-
7.23
-
PE 40:6; [M-H]-@7.00
PE 40:6
ME196474
-
-
7
-
PE 40:7; [M-H]-@6.50
PE 40:7
ME196475
-
-
6.5
-
PE 40:8; [M-H]-@6.10
PE 40:8
ME196476
-
-
6.1
-
PG 11:0; [M-H]-@1.19
PG 11:0*
ME196477
-
-
1.19
-
PG 18:0; [M-H]-@10.72
PG 18:0
ME196478
-
-
10.72
-
PG 27:4; [M-H]-@3.39
PG 27:4*
ME196479
-
-
3.39
-
PG 33:0; [M-H]-@6.10
PG 33:0
ME196480
-
-
6.1
-
PG 33:1; [M-H]-@6.55
PG 33:1
ME196481
-
-
6.55
-
PG 34:0; [M-H]-@6.32
PG 34:0
ME196482
-
-
6.32
-
PG 36:0; [M-H]-@6.92
PG 36:0
ME196483
-
-
6.92
-
PG 36:2; [M-H]-@6.12
PG 36:2
ME196484
-
-
6.12
-
PG 36:3; [M-H]-@7.04
PG 36:3
ME196485
-
-
7.04
-
PI 17:0; [M-H]-@0.79
PI 17:0
ME196486
-
-
0.79
-
PI 26:4; [M-H]-@9.37
PI 26:4
ME196487
-
-
9.37
-
PI 32:1; [M-H]-@5.11
PI 32:1
ME196488
-
-
5.11
-
PI 34:1; [M-H]-@5.72
PI 34:1
ME196489
-
-
5.72
-
PI 34:2; [M-H]-@5.28
PI 34:2
ME196490
-
-
5.28
-
PI 36:2; [M-H]-@5.95
PI 36:2
ME196491
-
-
5.95
-
PI 36:4; [M-H]-@5.27
PI 36:4
ME196492
-
-
5.27
-
PI 37:4; [M-H]-@5.61
PI 37:4
ME196493
-
-
5.61
-
PI 38:3; [M-H]-@6.15
PI 38:3
ME196494
-
-
6.15
-
PI 38:4; [M-H]-@5.92
PI 38:4
ME196495
-
-
5.92
-
PI 38:5; [M-H]-@5.44
PI 38:5
ME196496
-
-
5.44
-
PI 38:6; [M-H]-@5.14
PI 38:6
ME196497
-
-
5.14
-
PI 40:5; [M-H]-@6.18
PI 40:5
ME196498
-
-
6.18
-
PI 40:6; [M-H]-@5.82
PI 40:6
ME196499
-
-
5.82
-
plasmenyl-PE 34:1; [M-H]-@7.27
PE P-34:1
ME196511
-
-
7.27
-
plasmenyl-PE 34:2; [M-H]-@6.84
PE P-34:2
ME196512
-
-
6.84
-
plasmenyl-PE 36:1; [M-H]-@7.85
PE P-36:1
ME196513
-
-
7.85
-
plasmenyl-PE 36:2; [M-H]-@7.42
PE P-36:2
ME196514
-
-
7.42
-
plasmenyl-PE 36:3; [M-H]-@6.98
PE P-36:3
ME196515
-
-
6.98
-
plasmenyl-PE 36:4; [M-H]-@6.76
PE P-36:4
ME196516
-
-
6.76
-
plasmenyl-PE 36:5; [M-H]-@6.41
PE P-36:5
ME196517
-
-
6.41
-
plasmenyl-PE 38:1; [M-H]-@8.34
PE P-38:1
ME196518
-
-
8.34
-
plasmenyl-PE 38:2; [M-H]-@8.00
PE P-38:2
ME196519
-
-
8
-
plasmenyl-PE 38:3; [M-H]-@7.64
PE P-38:3
ME196520
-
-
7.64
-
plasmenyl-PE 38:4; [M-H]-@7.39
PE P-38:4
ME196521
-
-
7.39
-
plasmenyl-PE 38:5; [M-H]-@6.86
PE P-38:5
ME196522
-
-
6.86
-
plasmenyl-PE 38:6; [M-H]-@6.66
PE P-38:6
ME196523
-
-
6.66
-
plasmenyl-PE 40:3; [M-H]-@8.12
PE P-40:3
ME196524
-
-
8.12
-
plasmenyl-PE 40:4; [M-H]-@7.90
PE P-40:4
ME196525
-
-
7.9
-
plasmenyl-PE 40:5; [M-H]-@7.40
PE P-40:5
ME196526
-
-
7.65
-
plasmenyl-PE 40:5; [M-H]-@7.65
PE P-40:5
ME196527
-
-
7.65
-
plasmenyl-PE 40:6; [M-H]-@7.24
PE P-40:6
ME196529
-
-
7.33
-
plasmenyl-PE 40:6; [M-H]-@7.33
PE P-40:6
ME196528
-
-
7.33
-
plasmenyl-PE 42:5; [M-H]-@7.97
PE P-42:5
ME196530
-
-
7.97
-
plasmenyl-PE 42:6; [M-H]-@7.85
PE P-42:6
ME196531
-
-
7.85
-
Analysis: C18 POSITIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
MG 18:0; [M+NH4]+@3.81
MG 18:0
ME196583
24699
-
3.81
-
MG 17:0; [M+Li]+@3.27
MG 17:0
ME196582
107036
-
3.27
-
CE(18:0); [M+NH4]+@11.35
CE 18:0
ME196536
118246
-
11.35
-
CE(16:0); [M+NH4]+@11.02
CE 16:0
ME196532
246520
-
11.02
-
MG 18:2; [M+NH4]+@1.06
MG 18:2
ME196585
5283469
-
1.06
-
CE(18:1); [M+NH4]+@11.07
CE 18:1
ME196537
5283632
-
11.07
-
CE(18:2); [M+NH4]+@10.87
CE 18:2
ME196538
5287939
-
11.33
-
CE(18:2); [M+NH4]+@11.33
CE 18:2
ME196539
5287939
-
11.33
-
CE(18:3); [M+NH4]+@10.53
CE 18:3
ME196540
6436907
-
10.53
-
CE(18:3); [M+NH4]+@9.33
CE 18:3
ME196541
6436907
-
10.53
-
CE(20:4); [M+NH4]+@10.59
CE 20:4
ME196545
6479222
-
11.43
-
CE(20:4); [M+NH4]+@11.43
CE 20:4
ME196546
6479222
-
11.43
-
TG 64:17; [M+NH4]+@9.64
TG 64:17
ME196941
9546534
-
9.64
-
SM 34:0; [M]+@6.23
SM 34:0;O2
ME196741
9939965
-
6.23
-
CE(20:5); [M+NH4]+@10.42
CE 20:5
ME196547
10372299
-
10.42
-
CE(20:5); [M+NH4]+@9.24
CE 20:5
ME196548
10372299
-
10.42
-
lysoPC 22:6; [M+H]+@1.30
LPC 22:6
ME196971
10415542
-
1.3
-
SM 32:1; [M]+@5.25
SM 32:1;O2
ME196734
11433862
-
5.25
-
SM 32:1; [M+Na]+@5.22
SM 32:1;O2
ME196733
11433862
-
5.22
-
lysoPC 20:5; [M+H]+@1.11
LPC 20:5
ME196966
11757087
-
1.11
-
CE(20:3); [M+NH4]+@10.82
CE 20:3
ME196544
14274976
-
10.82
-
CE(22:6); [M+NH4]+@10.52
CE 22:6
ME196550
14274978
-
10.52
-
CE(20:1); [M+NH4]+@11.32
CE 20:1
ME196542
16061337
-
11.32
-
CE(20:2); [M+NH4]+@11.07
CE 20:2
ME196543
16061338
-
11.07
-
CE(22:4); [M+NH4]+@10.90
CE 22:4
ME196549
16061341
-
10.9
-
lysoPC 15:0; [M+H]+@1.32
LPC 15:0
ME196944
24779458
-
1.32
-
lysoPC 17:0; [M+Na]+@2.15
LPC 17:0
ME196950
24779463
-
2.15
-
lysoPC 19:0; [M+H]+@3.00
LPC 19:0
ME196959
24779472
-
3
-
lysoPC 20:0; [M+H]+@3.47
LPC 20:0
ME196960
24779473
-
3.47
-
lysoPC 22:0; [M+H]+@4.43
LPC 22:0
ME196967
24779479
-
4.43
-
lysoPC 24:0; [M+H]+@5.32
LPC 24:0
ME196972
24779481
-
5.32
-
CE(17:1); [M+NH4]+@10.90
CE 17:1
ME196535
24779603
-
10.9
-
SM 38:0; [M]+@6.59
SM 38:0;O2
ME196758
44260131
-
6.59
-
SM 42:1; [M]+@8.44
SM 42:1;O2
ME196785
44260133
-
8.44
-
SM 42:1; [M+Na]+@8.49
SM 42:1;O2
ME196784
44260133
-
8.49
-
SM 32:0; [M]+@5.54
SM 32:0;O2
ME196732
44260138
-
5.54
-
SM 36:1; [M]+@6.58
SM 36:1;O2
ME196751
44260139
-
6.58
-
SM 36:1; [M+Na]+@6.67
SM 36:1;O2
ME196750
44260139
-
6.67
-
SM 30:0; [M]+@4.77
SM 30:0;O2
ME196728
46891775
-
4.77
-
lysoPC 22:4; [M+H]+@1.93
LPC 22:4
ME196969
52924039
-
1.93
-
lysoPC 20:2; [M+H]+@2.04
LPC 20:2
ME196962
52924053
-
2.04
-
SM 33:1; [M]+@5.62
SM 33:1;O2
ME196739
52931139
-
5.62
-
SM 33:1; [M+Na]+@5.65
SM 33:1;O2
ME196738
52931139
-
5.65
-
SM 36:0; [M]+@6.89
SM 36:0;O2
ME196749
52931167
-
6.89
-
lysoPC 24:1; [M+H]+@4.46
LPC 24:1
ME196973
53480477
-
4.46
-
CE(16:1); [M+NH4]+@10.73
CE 16:1
ME196533
-
-
10.73
-
CE(16:2); [M+NH4]+@10.54
CE 16:2
ME196534
-
-
10.54
-
DG 30:0; [M+NH4]+@7.45
DG 30:0
ME196551
-
-
7.45
-
DG 30:2; [M+NH4]+@6.51
DG 30:2
ME196552
-
-
6.51
-
DG 32:0; [M+NH4]+@7.99
DG 32:0
ME196553
-
-
7.99
-
DG 32:1; [M+NH4]+@7.56
DG 32:1
ME196554
-
-
7.56
-
DG 32:2; [M+NH4]+@7.14
DG 32:2
ME196555
-
-
7.14
-
DG 33:1; [M+NH4]+@7.78
DG 33:1
ME196556
-
-
7.78
-
DG 34:0; [M+NH4]+@8.48
DG 34:0
ME196557
-
-
8.48
-
DG 34:2; [M+NH4]+@7.68
DG 34:2
ME196558
-
-
7.68
-
DG 34:3; [M+NH4]+@7.28
DG 34:3
ME196559
-
-
7.28
-
DG 35:1; [M+NH4]+@8.30
DG 35:1
ME196560
-
-
8.3
-
DG 35:2; [M+NH4]+@7.93
DG 35:2
ME196561
-
-
7.93
-
DG 36:0; [M+NH4]+@8.93
DG 36:0
ME196562
-
-
8.93
-
DG 36:1; [M+NH4]+@8.51
DG 36:1
ME196564
-
-
8.57
-
DG 36:1; [M+NH4]+@8.57
DG 36:1
ME196563
-
-
8.57
-
DG 36:2; [M+NH4]+@8.13
DG 36:2
ME196565
-
-
8.13
-
DG 36:3; [M+NH4]+@7.76
DG 36:3
ME196566
-
-
7.76
-
DG 36:4; [M+NH4]+@7.38
DG 36:4
ME196567
-
-
7.38
-
DG 36:5; [M+NH4]+@7.07
DG 36:5
ME196568
-
-
7.07
-
DG 37:1; [M+NH4]+@8.13
DG 37:1
ME196569
-
-
8.13
-
DG 38:1; [M+NH4]+@8.72
DG 38:1
ME196570
-
-
8.72
-
DG 38:2; [M+NH4]+@8.62
DG 38:2
ME196571
-
-
8.62
-
DG 38:3; [M+NH4]+@8.29
DG 38:3
ME196572
-
-
8.29
-
DG 38:4; [M+NH4]+@7.99
DG 38:4
ME196573
-
-
7.99
-
DG 38:5; [M+NH4]+@7.71
DG 38:5
ME196574
-
-
7.71
-
DG 38:6; [M+NH4]+@7.35
DG 38:6
ME196575
-
-
7.35
-
DG 38:7; [M+NH4]+@6.95
DG 38:7
ME196576
-
-
6.95
-
DG 40:5; [M+NH4]+@8.12
DG 40:5
ME196577
-
-
8.12
-
DG 40:6; [M+NH4]+@7.80
DG 40:6
ME196578
-
-
7.8
-
DG 40:7; [M+NH4]+@7.59
DG 40:7
ME196579
-
-
7.59
-
DG 40:8; [M+NH4]+@7.22
DG 40:8
ME196580
-
-
7.22
-
DG 42:6; [M+NH4]+@10.09
DG 42:6
ME196581
-
-
10.09
-
lysoPC 14:0; [M+H]+@1.12
LPC 14:0
ME196942
-
-
1.12
-
lysoPC 14:0; [M+Na]+@1.19
LPC 14:0
ME196943
-
-
1.19
-
lysoPC 16:0; [M+H]+@1.68
LPC 16:0
ME196945
-
-
3.16
-
lysoPC 16:0; [M+H]+@3.16
LPC 16:0
ME196946
-
-
3.16
-
lysoPC 16:0; [M+Na]+@1.54
LPC 16:0
ME196947
-
-
1.54
-
lysoPC 16:1; [M+H]+@1.26
LPC 16:1
ME196948
-
-
1.26
-
lysoPC 16:1; [M+Na]+@1.33
LPC 16:1
ME196949
-
-
1.33
-
lysoPC 17:1; [M+H]+@1.54
LPC 17:1
ME196951
-
-
1.54
-
lysoPC 18:0; [M+H]+@2.50
LPC 18:0
ME196952
-
-
3
-
lysoPC 18:0; [M+H]+@3.00
LPC 18:0
ME196953
-
-
3
-
lysoPC 18:0; [M+Na]+@2.35
LPC 18:0
ME196954
-
-
2.35
-
lysoPC 18:1; [M+H]+@1.89
LPC 18:1
ME196955
-
-
1.89
-
lysoPC 18:2; [M+H]+@1.46
LPC 18:2
ME196956
-
-
1.46
-
lysoPC 18:2; [M+Na]+@1.23
LPC 18:2
ME196957
-
-
1.23
-
lysoPC 18:3; [M+H]+@1.16
LPC 18:3
ME196958
-
-
1.16
-
lysoPC 20:1; [M+H]+@2.66
LPC 20:1
ME196961
-
-
2.66
-
lysoPC 20:3; [M+H]+@1.63
LPC 20:3
ME196963
-
-
1.63
-
lysoPC 20:3; [M+Na]+@1.68
LPC 20:3
ME196964
-
-
1.68
-
lysoPC 20:4; [M+H]+@1.37
LPC 20:4
ME196965
-
-
1.37
-
lysoPC 22:1; [M+H]+@3.54
LPC 22:1
ME196968
-
-
3.54
-
lysoPC 22:5; [M+H]+@1.56
LPC 22:5
ME196970
-
-
1.56
-
lysoPE 16:0; [M+H]+@1.79
LPE 16:0
ME196974
-
-
1.79
-
lysoPE 16:1; [M+H]+@1.32
LPE 16:1
ME196975
-
-
1.32
-
lysoPE 18:0; [M+H]+@2.59
LPE 18:0
ME196976
-
-
2.59
-
lysoPE 18:1; [M+H]+@1.94
LPE 18:1
ME196977
-
-
1.94
-
lysoPE 18:2; [M+H]+@1.42
LPE 18:2
ME196978
-
-
1.42
-
lysoPE 20:3; [M+H]+@1.68
LPE 20:3
ME196979
-
-
1.68
-
lysoPE 20:4; [M+H]+@1.43
LPE 20:4
ME196980
-
-
1.43
-
lysoPE 20:5; [M+H]+@1.15
LPE 20:5
ME196981
-
-
1.15
-
lysoPE 22:1; [M+H]+@3.67
LPE 22:1
ME196982
-
-
3.67
-
lysoPE 22:5; [M+H]+@1.61
LPE 22:5
ME196983
-
-
1.61
-
lysoPE 22:6; [M+H]+@1.34
LPE 22:6
ME196984
-
-
1.34
-
MG 18:1; [M+NH4]+@3.04
MG 18:1
ME196584
-
-
3.04
-
PA 34:0; [M+Na]+@6.97
PA 34:0
ME196586
-
-
6.97
-
PC 15:0; [M+H]+@1.25
PC 15:0
ME196587
-
-
1.25
-
PC 19:2; [M+H]+@1.52
PC 19:2
ME196588
-
-
1.52
-
PC 21:4; [M+H]+@1.46
PC 21:4
ME196589
-
-
1.46
-
PC 26:0; [M+H]+@4.63
PC 26:0
ME196590
-
-
4.63
-
PC 28:0; [M+H]+@5.41
PC 28:0
ME196591
-
-
5.41
-
PC 28:0; [M+Na]+@5.40
PC 28:0
ME196592
-
-
5.4
-
PC 28:1; [M+H]+@4.77
PC 28:1
ME196593
-
-
4.77
-
PC 29:0; [M+H]+@5.73
PC 29:0
ME196594
-
-
5.73
-
PC 30:0; [M+Na]+@6.13
PC 30:0
ME196595
-
-
6.13
-
PC 30:1; [M+H]+@5.62
PC 30:1
ME196596
-
-
5.62
-
PC 30:1; [M+Na]+@5.65
PC 30:1
ME196597
-
-
5.65
-
PC 30:2; [M+H]+@5.06
PC 30:2
ME196598
-
-
5.06
-
PC 31:0; [M+H]+@6.32
PC 31:0
ME196599
-
-
6.32
-
PC 31:0; [M+Na]+@5.65
PC 31:0
ME196600
-
-
5.65
-
PC 31:1; [M+H]+@5.91
PC 31:1
ME196601
-
-
5.91
-
PC 32:0; [M+H]+@6.72
PC 32:0
ME196602
-
-
6.72
-
PC 32:1; [M+H]+@6.73
PC 32:1
ME196603
-
-
6.73
-
PC 32:1; [M+Na]+@6.22
PC 32:1
ME196604
-
-
6.22
-
PC 32:2; [M+H]+@5.93
PC 32:2
ME196605
-
-
5.93
-
PC 32:2; [M+Na]+@5.76
PC 32:2
ME196606
-
-
5.76
-
PC 32:3; [M+H]+@5.33
PC 32:3
ME196607
-
-
5.33
-
PC 32:4; [M+H]+@5.60
PC 32:4
ME196608
-
-
5.6
-
PC 33:0; [M+H]+@6.37
PC 33:0
ME196609
-
-
6.37
-
PC 33:2; [M+H]+@5.97
PC 33:2
ME196610
-
-
5.97
-
PC 33:2; [M+Na]+@6.13
PC 33:2
ME196611
-
-
6.13
-
PC 33:3; [M+H]+@5.69
PC 33:3
ME196612
-
-
5.69
-
PC 33:4; [M+H]+@6.14
PC 33:4
ME196613
-
-
6.14
-
PC 34:0; [M+H]+@7.40
PC 34:0
ME196614
-
-
7.4
-
PC 34:0; [M+Na]+@7.54
PC 34:0
ME196615
-
-
7.54
-
PC 34:1; [M+H]+@6.82
PC 34:1
ME196616
-
-
6.82
-
PC 34:1; [M+Na]+@12.52
PC 34:1
ME196618
-
-
12.52
-
PC 34:1; [M+Na]+@6.91
PC 34:1
ME196617
-
-
12.52
-
PC 34:2; [M+H]+@4.36
PC 34:2
ME196619
-
-
5.51
-
PC 34:2; [M+H]+@5.18
PC 34:2
ME196620
-
-
5.51
-
PC 34:2; [M+H]+@5.51
PC 34:2
ME196621
-
-
5.51
-
PC 34:2; [M+Na]+@9.06
PC 34:2
ME196622
-
-
9.06
-
PC 34:3; [M+Na]+@5.88
PC 34:3
ME196623
-
-
5.88
-
PC 34:4; [M+H]+@5.52
PC 34:4
ME196625
-
-
6.22
-
PC 34:4; [M+H]+@6.22
PC 34:4
ME196624
-
-
6.22
-
PC 34:4; [M+Na]+@5.72
PC 34:4
ME196626
-
-
5.72
-
PC 34:5; [M+H]+@5.39
PC 34:5
ME196628
-
-
5.77
-
PC 34:5; [M+H]+@5.77
PC 34:5
ME196627
-
-
5.77
-
PC 35:0; [M+H]+@7.66
PC 35:0
ME196629
-
-
7.66
-
PC 35:1; [M+H]+@7.03
PC 35:1
ME196630
-
-
7.03
-
PC 35:3; [M+H]+@6.22
PC 35:3
ME196631
-
-
6.22
-
PC 35:4; [M+H]+@5.91
PC 35:4
ME196632
-
-
5.91
-
PC 35:5; [M+H]+@5.67
PC 35:5
ME196633
-
-
6.49
-
PC 35:5; [M+H]+@6.49
PC 35:5
ME196634
-
-
6.49
-
PC 35:6; [M+H]+@5.65
PC 35:6
ME196635
-
-
5.65
-
PC 36:1; [M+H]+@7.41
PC 36:1
ME196636
-
-
7.41
-
PC 36:2; [M+H]+@5.05
PC 36:2
ME196637
-
-
5.05
-
PC 36:2; [M+Na]+@9.01
PC 36:2
ME196638
-
-
9.01
-
PC 36:3; [M+H]+@8.32
PC 36:3
ME196640
-
-
9.62
-
PC 36:3; [M+H]+@9.62
PC 36:3
ME196639
-
-
9.62
-
PC 36:4; [M+H]+@5.22
PC 36:4
ME196641
-
-
9.12
-
PC 36:4; [M+H]+@6.08
PC 36:4
ME196642
-
-
9.12
-
PC 36:4; [M+H]+@7.89
PC 36:4
ME196645
-
-
9.12
-
PC 36:4; [M+H]+@8.67
PC 36:4
ME196644
-
-
9.12
-
PC 36:4; [M+H]+@9.12
PC 36:4
ME196643
-
-
9.12
-
PC 36:4; [M+Na]+@6.17
PC 36:4
ME196646
-
-
6.17
-
PC 36:5; [M+H]+@5.79
PC 36:5
ME196647
-
-
9.13
-
PC 36:5; [M+H]+@9.13
PC 36:5
ME196648
-
-
9.13
-
PC 36:5; [M+Na]+@6.02
PC 36:5
ME196649
-
-
6.02
-
PC 36:6; [M+H]+@5.52
PC 36:6
ME196650
-
-
5.92
-
PC 36:6; [M+H]+@5.92
PC 36:6
ME196651
-
-
5.92
-
PC 36:6; [M+Na]+@5.61
PC 36:6
ME196652
-
-
5.61
-
PC 37:0; [M+H]+@7.35
PC 37:0
ME196653
-
-
7.35
-
PC 37:1; [M+H]+@7.83
PC 37:1
ME196654
-
-
7.83
-
PC 37:2; [M+H]+@7.41
PC 37:2
ME196655
-
-
7.41
-
PC 37:3; [M+H]+@7.14
PC 37:3
ME196656
-
-
7.14
-
PC 37:5; [M+H]+@6.09
PC 37:5
ME196658
-
-
7.24
-
PC 37:5; [M+H]+@7.24
PC 37:5
ME196657
-
-
7.24
-
PC 37:6; [M+H]+@5.81
PC 37:6
ME196659
-
-
5.81
-
PC 37:7; [M+H]+@6.50
PC 37:7
ME196660
-
-
6.5
-
PC 38:1; [M+H]+@8.06
PC 38:1
ME196661
-
-
8.06
-
PC 38:3; [M+H]+@7.26
PC 38:3
ME196662
-
-
8.98
-
PC 38:3; [M+H]+@8.98
PC 38:3
ME196663
-
-
8.98
-
PC 38:4; [M+H]+@5.34
PC 38:4
ME196665
-
-
8.7
-
PC 38:4; [M+H]+@6.99
PC 38:4
ME196664
-
-
8.7
-
PC 38:4; [M+H]+@8.70
PC 38:4
ME196666
-
-
8.7
-
PC 38:5; [M+H]+@7.76
PC 38:5
ME196667
-
-
7.76
-
PC 38:6; [M+H]+@5.55
PC 38:6
ME196668
-
-
5.55
-
PC 38:6; [M+Na]+@6.19
PC 38:6
ME196669
-
-
6.19
-
PC 38:7; [M+H]+@5.66
PC 38:7
ME196670
-
-
5.66
-
PC 38:7; [M+Na]+@5.65
PC 38:7
ME196671
-
-
5.65
-
PC 38:8; [M+H]+@5.41
PC 38:8
ME196672
-
-
5.41
-
PC 38:9; [M+H]+@5.61
PC 38:9
ME196673
-
-
5.61
-
PC 39:1; [M+Na]+@7.76
PC 39:1
ME196674
-
-
7.76
-
PC 39:2; [M+H]+@6.82
PC 39:2
ME196675
-
-
6.82
-
PC 39:3; [M+H]+@6.83
PC 39:3
ME196676
-
-
7.53
-
PC 39:3; [M+H]+@7.53
PC 39:3
ME196677
-
-
7.53
-
PC 39:4; [M+H]+@6.95
PC 39:4
ME196678
-
-
7.36
-
PC 39:4; [M+H]+@7.36
PC 39:4
ME196679
-
-
7.36
-
PC 39:5; [M+H]+@6.82
PC 39:5
ME196680
-
-
6.82
-
PC 39:6; [M+H]+@6.27
PC 39:6
ME196681
-
-
6.27
-
PC 39:7; [M+H]+@6.12
PC 39:7
ME196682
-
-
6.12
-
PC 40:10; [M+H]+@5.71
PC 40:10
ME196683
-
-
5.71
-
PC 40:2; [M+H]+@8.26
PC 40:2
ME196684
-
-
8.26
-
PC 40:3; [M+H]+@7.82
PC 40:3
ME196685
-
-
7.82
-
PC 40:4; [M+H]+@6.93
PC 40:4
ME196686
-
-
6.93
-
PC 40:5; [M+H]+@7.30
PC 40:5
ME196687
-
-
7.3
-
PC 40:5; [M+Na]+@7.15
PC 40:5
ME196688
-
-
7.15
-
PC 40:6; [M+H]+@9.00
PC 40:6
ME196689
-
-
9
-
PC 40:6; [M+Na]+@6.93
PC 40:6
ME196690
-
-
6.93
-
PC 40:7; [M+H]+@6.18
PC 40:7
ME196691
-
-
6.18
-
PC 40:8; [M+H]+@5.95
PC 40:8
ME196692
-
-
5.95
-
PC 40:8; [M+Na]+@5.89
PC 40:8
ME196693
-
-
5.89
-
PC 40:9; [M+H]+@5.55
PC 40:9
ME196695
-
-
6.23
-
PC 40:9; [M+H]+@6.23
PC 40:9
ME196694
-
-
6.23
-
PC 41:4; [M+H]+@7.33
PC 41:4
ME196696
-
-
7.33
-
PC 41:5; [M+H]+@6.77
PC 41:5
ME196697
-
-
6.77
-
PC 42:10; [M+H]+@5.85
PC 42:10
ME196699
-
-
5.85
-
PC 42:11; [M+H]+@5.91
PC 42:11
ME196700
-
-
5.91
-
PC 42:1; [M+H]+@9.20
PC 42:1
ME196698
-
-
9.2
-
PC 42:2; [M+H]+@8.86
PC 42:2
ME196701
-
-
8.86
-
PC 42:4; [M+H]+@8.24
PC 42:4
ME196702
-
-
8.24
-
PC 42:5; [M+H]+@7.65
PC 42:5
ME196703
-
-
7.65
-
PC 42:7; [M+H]+@6.82
PC 42:7
ME196704
-
-
6.82
-
PC 42:8; [M+H]+@6.53
PC 42:8
ME196705
-
-
6.53
-
PC 42:9; [M+H]+@6.11
PC 42:9
ME196706
-
-
6.11
-
PC 44:2; [M+H]+@9.63
PC 44:2
ME196707
-
-
9.63
-
PC 44:4; [M+H]+@8.81
PC 44:4
ME196708
-
-
8.81
-
PE 21:4; [M+H]+@1.48
PE 21:4
ME196709
-
-
1.48
-
PE 34:0; [M+Na]+@7.41
PE 34:0
ME196710
-
-
7.41
-
PE 34:1; [M+H]+@6.94
PE 34:1
ME196711
-
-
6.94
-
PE 34:2; [M+H]+@6.50
PE 34:2
ME196712
-
-
6.5
-
PE 34:2; [M+Na]+@6.06
PE 34:2
ME196713
-
-
6.06
-
PE 36:1; [M+H]+@7.52
PE 36:1
ME196714
-
-
7.52
-
PE 36:2; [M+H]+@7.12
PE 36:2
ME196715
-
-
7.12
-
PE 36:3; [M+H]+@6.62
PE 36:3
ME196716
-
-
6.62
-
PE 36:3; [M+Na]+@6.35
PE 36:3
ME196717
-
-
6.35
-
PE 36:4; [M+H]+@6.44
PE 36:4
ME196718
-
-
6.44
-
PE 36:5; [M+H]+@6.08
PE 36:5
ME196719
-
-
6.08
-
PE 38:3; [M+H]+@7.33
PE 38:3
ME196720
-
-
7.33
-
PE 38:4; [M+H]+@7.09
PE 38:4
ME196721
-
-
7.09
-
PE 38:5; [M+H]+@6.60
PE 38:5
ME196722
-
-
6.6
-
PE 38:6; [M+H]+@6.29
PE 38:6
ME196723
-
-
6.29
-
PE 40:6; [M+H]+@6.98
PE 40:6
ME196724
-
-
6.98
-
PE 40:7; [M+H]+@6.49
PE 40:7
ME196725
-
-
6.49
-
plasmenyl-PC 18:0; [M+Na]+@1.93
PC P-18:0
ME196985
-
-
1.93
-
plasmenyl-PC 38:0; [M+Na]+@8.18
PC P-38:0
ME196986
-
-
8.18
-
plasmenyl-PC 38:1; [M+Na]+@7.79
PC P-38:1
ME196987
-
-
7.79
-
plasmenyl-PC 44:4; [M+Na]+@8.63
PC P-44:4
ME196988
-
-
8.63
-
plasmenyl-PE 34:1; [M+H]+@7.26
PE P-34:1
ME196989
-
-
7.26
-
plasmenyl-PE 34:2; [M+H]+@6.84
PE P-34:2
ME196990
-
-
6.84
-
plasmenyl-PE 36:1; [M+H]+@7.83
PE P-36:1
ME196991
-
-
7.83
-
plasmenyl-PE 36:2; [M+H]+@7.43
PE P-36:2
ME196992
-
-
7.43
-
plasmenyl-PE 36:3; [M+H]+@6.98
PE P-36:3
ME196993
-
-
6.98
-
plasmenyl-PE 36:4; [M+H]+@6.76
PE P-36:4
ME196994
-
-
6.76
-
plasmenyl-PE 36:5; [M+H]+@6.41
PE P-36:5
ME196995
-
-
6.41
-
plasmenyl-PE 38:1; [M+H]+@8.27
PE P-38:1
ME196996
-
-
8.27
-
plasmenyl-PE 38:2; [M+H]+@7.99
PE P-38:2
ME196997
-
-
7.99
-
plasmenyl-PE 38:3; [M+H]+@7.65
PE P-38:3
ME196998
-
-
7.65
-
plasmenyl-PE 38:4; [M+H]+@7.34
PE P-38:4
ME196999
-
-
7.34
-
plasmenyl-PE 38:5; [M+H]+@6.79
PE P-38:5
ME197000
-
-
6.79
-
plasmenyl-PE 38:6; [M+H]+@6.67
PE P-38:6
ME197001
-
-
6.67
-
plasmenyl-PE 40:4; [M+H]+@7.88
PE P-40:4
ME197002
-
-
7.88
-
plasmenyl-PE 40:5; [M+H]+@7.46
PE P-40:5
ME197003
-
-
7.46
-
plasmenyl-PE 40:6; [M+H]+@7.28
PE P-40:6
ME197004
-
-
7.28
-
plasmenyl-PE 42:6; [M+H]+@7.84
PE P-42:6
ME197005
-
-
7.84
-
SM 21:0; [M]+@1.92
SM 18:1;O2/21:0
ME196726
-
-
1.92
-
SM 28:1; [M]+@3.67
SM 18:1;O2/28:1
ME196727
-
-
3.67
-
SM 30:1; [M]+@4.42
SM 30:1;O2
ME196730
-
-
4.42
-
SM 30:1; [M+Na]+@4.49
SM 30:1;O2
ME196729
-
-
4.49
-
SM 31:1; [M]+@4.86
SM 31:1;O2
ME196731
-
-
4.86
-
SM 32:2; [M]+@4.59
SM 32:2;O2
ME196736
-
-
4.59
-
SM 32:2; [M+Na]+@4.63
SM 32:2;O2
ME196735
-
-
4.63
-
SM 33:0; [M]+@5.92
SM 33:0;O2
ME196737
-
-
5.92
-
SM 33:2; [M]+@5.11
SM 33:2;O2
ME196740
-
-
5.11
-
SM 34:1; [M]+@5.92
SM 34:1;O2
ME196744
-
-
5.92
-
SM 34:1; [M+Na]+@5.35
SM 34:1;O2
ME196743
-
-
5.97
-
SM 34:1; [M+Na]+@5.97
SM 34:1;O2
ME196742
-
-
5.97
-
SM 34:2; [M]+@5.44
SM 34:2;O2
ME196746
-
-
5.44
-
SM 34:2; [M+Na]+@5.39
SM 34:2;O2
ME196745
-
-
5.39
-
SM 35:1; [M+Na]+@6.61
SM 35:1;O2
ME196747
-
-
6.61
-
SM 35:2; [M]+@5.77
SM 35:2;O2
ME196748
-
-
5.77
-
SM 36:2; [M]+@6.11
SM 36:2;O2
ME196753
-
-
6.11
-
SM 36:2; [M+Na]+@6.18
SM 36:2;O2
ME196752
-
-
6.18
-
SM 37:0; [M]+@9.33
SM 37:0;O2
ME196754
-
-
9.33
-
SM 37:1; [M]+@6.99
SM 37:1;O2
ME196756
-
-
9.13
-
SM 37:1; [M]+@9.13
SM 37:1;O2
ME196755
-
-
9.13
-
SM 37:2; [M]+@6.49
SM 37:2;O2
ME196757
-
-
6.49
-
SM 38:1; [M]+@7.32
SM 38:1;O2
ME196760
-
-
7.32
-
SM 38:1; [M+Na]+@7.35
SM 38:1;O2
ME196759
-
-
7.35
-
SM 38:2; [M]+@6.75
SM 38:2;O2
ME196761
-
-
6.75
-
SM 38:4; [M]+@5.84
SM 38:4;O2
ME196762
-
-
5.84
-
SM 38:5; [M]+@5.36
SM 38:5;O2
ME196763
-
-
5.36
-
SM 39:1; [M]+@7.61
SM 39:1;O2
ME196765
-
-
7.61
-
SM 39:1; [M+Na]+@7.70
SM 39:1;O2
ME196764
-
-
7.7
-
SM 39:2; [M]+@7.15
SM 39:2;O2
ME196767
-
-
9.23
-
SM 39:2; [M]+@9.23
SM 39:2;O2
ME196766
-
-
9.23
-
SM 39:4; [M]+@6.69
SM 39:4;O2
ME196768
-
-
6.69
-
SM 40:1; [M]+@7.21
SM 40:1;O2
ME196770
-
-
7.87
-
SM 40:1; [M]+@7.87
SM 40:1;O2
ME196771
-
-
7.87
-
SM 40:1; [M+Na]+@7.90
SM 40:1;O2
ME196769
-
-
7.9
-
SM 40:2; [M]+@6.56
SM 40:2;O2
ME196774
-
-
7.38
-
SM 40:2; [M]+@7.38
SM 40:2;O2
ME196773
-
-
7.38
-
SM 40:2; [M+Na]+@7.43
SM 40:2;O2
ME196772
-
-
7.43
-
SM 40:4; [M]+@6.43
SM 40:4;O2
ME196775
-
-
6.43
-
SM 40:5; [M]+@6.09
SM 40:5;O2
ME196776
-
-
6.09
-
SM 41:1; [M]+@8.15
SM 41:1;O2
ME196778
-
-
8.15
-
SM 41:1; [M+Na]+@8.24
SM 41:1;O2
ME196777
-
-
8.24
-
SM 41:2; [M]+@7.73
SM 41:2;O2
ME196780
-
-
7.73
-
SM 41:2; [M+Na]+@7.80
SM 41:2;O2
ME196779
-
-
7.8
-
SM 41:4; [M]+@6.77
SM 41:4;O2
ME196782
-
-
7.71
-
SM 41:4; [M]+@7.71
SM 41:4;O2
ME196781
-
-
7.71
-
SM 41:5; [M]+@7.22
SM 41:5;O2
ME196783
-
-
7.22
-
SM 42:2; [M]+@7.93
SM 42:2;O2
ME196787
-
-
7.93
-
SM 42:2; [M+Na]+@7.99
SM 42:2;O2
ME196786
-
-
7.99
-
SM 42:4; [M]+@7.01
SM 42:4;O2
ME196788
-
-
7.01
-
SM 42:5; [M]+@6.67
SM 42:5;O2
ME196790
-
-
7.43
-
SM 42:5; [M]+@7.43
SM 42:5;O2
ME196789
-
-
7.43
-
SM 43:1; [M]+@8.67
SM 43:1;O2
ME196792
-
-
8.67
-
SM 43:1; [M+Na]+@8.69
SM 43:1;O2
ME196791
-
-
8.69
-
SM 43:2; [M]+@8.10
SM 43:2;O2
ME196794
-
-
8.1
-
SM 43:2; [M+Na]+@8.10
SM 43:2;O2
ME196793
-
-
8.1
-
SM 43:4; [M]+@7.57
SM 43:4;O2
ME196795
-
-
7.57
-
SM 43:5; [M]+@7.46
SM 43:5;O2
ME196796
-
-
7.46
-
SM 44:1; [M]+@9.00
SM 44:1;O2
ME196797
-
-
9
-
SM 44:2; [M]+@8.49
SM 44:2;O2
ME196798
-
-
8.49
-
TG 40:0; [M+Na]+@9.53
TG 40:0
ME196800
-
-
9.53
-
TG 40:0; [M+NH4]+@9.55
TG 40:0
ME196799
-
-
9.55
-
TG 40:1; [M+NH4]+@9.25
TG 40:1
ME196801
-
-
9.25
-
TG 42:0; [M+Na]+@9.84
TG 42:0
ME196803
-
-
9.84
-
TG 42:0; [M+NH4]+@9.82
TG 42:0
ME196802
-
-
9.82
-
TG 42:1; [M+NH4]+@9.60
TG 42:1
ME196804
-
-
9.6
-
TG 42:2; [M+NH4]+@9.26
TG 42:2
ME196805
-
-
9.26
-
TG 44:1; [M+Na]+@9.89
TG 44:1
ME196807
-
-
9.89
-
TG 44:1; [M+NH4]+@9.85
TG 44:1
ME196806
-
-
9.85
-
TG 44:2; [M+NH4]+@9.63
TG 44:2
ME196808
-
-
9.63
-
TG 46:0; [M+NH4]+@10.37
TG 46:0
ME196809
-
-
10.37
-
TG 46:1; [M+Na]+@10.14
TG 46:1
ME196811
-
-
10.14
-
TG 46:1; [M+NH4]+@10.13
TG 46:1
ME196810
-
-
10.13
-
TG 46:2; [M+NH4]+@9.89
TG 46:2
ME196812
-
-
9.89
-
TG 46:3; [M+NH4]+@9.68
TG 46:3
ME196813
-
-
9.68
-
TG 48:0; [M+NH4]+@10.62
TG 48:0
ME196814
-
-
10.62
-
TG 48:1; [M+Na]+@10.39
TG 48:1
ME196816
-
-
10.39
-
TG 48:1; [M+NH4]+@10.36
TG 48:1
ME196815
-
-
10.36
-
TG 48:2; [M+NH4]+@10.15
TG 48:2
ME196817
-
-
10.15
-
TG 48:3; [M+NH4]+@9.93
TG 48:3
ME196818
-
-
9.93
-
TG 49:0; [M+NH4]+@10.76
TG 49:0
ME196819
-
-
10.76
-
TG 49:1; [M+NH4]+@10.53
TG 49:1
ME196820
-
-
10.53
-
TG 49:2; [M+NH4]+@10.31
TG 49:2
ME196821
-
-
10.31
-
TG 49:3; [M+NH4]+@10.12
TG 49:3
ME196822
-
-
10.12
-
TG 49:4; [M+NH4]+@9.90
TG 49:4
ME196823
-
-
9.9
-
TG 50:0; [M+Na]+@12.53
TG 50:0
ME196825
-
-
12.53
-
TG 50:0; [M+NH4]+@10.85
TG 50:0
ME196824
-
-
10.85
-
TG 50:1; [M+Na]+@10.51
TG 50:1
ME196827
-
-
10.51
-
TG 50:1; [M+NH4]+@10.59
TG 50:1
ME196826
-
-
10.59
-
TG 50:2; [M+NH4]+@10.38
TG 50:2
ME196828
-
-
11.33
-
TG 50:2; [M+NH4]+@11.33
TG 50:2
ME196829
-
-
11.33
-
TG 50:3; [M+NH4]+@10.18
TG 50:3
ME196830
-
-
10.18
-
TG 50:4; [M+NH4]+@9.99
TG 50:4
ME196831
-
-
9.99
-
TG 50:5; [M+NH4]+@9.79
TG 50:5
ME196832
-
-
9.79
-
TG 51:1; [M+NH4]+@10.76
TG 51:1
ME196833
-
-
10.76
-
TG 51:2; [M+NH4]+@10.56
TG 51:2
ME196834
-
-
10.56
-
TG 51:3; [M+NH4]+@10.36
TG 51:3
ME196835
-
-
10.36
-
TG 51:4; [M+NH4]+@10.17
TG 51:4
ME196836
-
-
10.17
-
TG 51:5; [M+NH4]+@9.98
TG 51:5
ME196837
-
-
9.98
-
TG 51:6; [M+NH4]+@9.77
TG 51:6
ME196838
-
-
9.77
-
TG 52:0; [M+Na]+@11.13
TG 52:0
ME196840
-
-
11.13
-
TG 52:0; [M+NH4]+@11.06
TG 52:0
ME196839
-
-
11.06
-
TG 52:1; [M+Na]+@10.90
TG 52:1
ME196842
-
-
10.9
-
TG 52:1; [M+NH4]+@10.84
TG 52:1
ME196841
-
-
10.84
-
TG 52:2; [M+NH4]+@10.63
TG 52:2
ME196843
-
-
10.63
-
TG 52:3; [M+NH4]+@10.44
TG 52:3
ME196844
-
-
11.31
-
TG 52:3; [M+NH4]+@11.31
TG 52:3
ME196845
-
-
11.31
-
TG 52:4; [M+NH4]+@10.24
TG 52:4
ME196846
-
-
10.24
-
TG 52:5; [M+Na]+@10.12
TG 52:5
ME196848
-
-
10.12
-
TG 52:5; [M+NH4]+@10.06
TG 52:5
ME196847
-
-
10.06
-
TG 52:6; [M+Na]+@9.88
TG 52:6
ME196850
-
-
9.88
-
TG 52:6; [M+NH4]+@9.91
TG 52:6
ME196849
-
-
9.91
-
TG 52:7; [M+NH4]+@9.72
TG 52:7
ME196851
-
-
9.72
-
TG 53:0; [M+NH4]+@11.22
TG 53:0
ME196852
-
-
11.22
-
TG 53:1; [M+NH4]+@10.99
TG 53:1
ME196853
-
-
10.99
-
TG 53:2; [M+NH4]+@10.80
TG 53:2
ME196854
-
-
10.8
-
TG 53:3; [M+NH4]+@10.60
TG 53:3
ME196855
-
-
10.6
-
TG 53:4; [M+NH4]+@10.41
TG 53:4
ME196856
-
-
10.41
-
TG 53:5; [M+NH4]+@10.22
TG 53:5
ME196857
-
-
10.22
-
TG 53:6; [M+NH4]+@10.05
TG 53:6
ME196858
-
-
10.05
-
TG 53:7; [M+NH4]+@9.88
TG 53:7
ME196859
-
-
9.88
-
TG 54:0; [M+NH4]+@11.34
TG 54:0
ME196860
-
-
11.34
-
TG 54:1; [M+Na]+@11.15
TG 54:1
ME196862
-
-
11.15
-
TG 54:1; [M+NH4]+@11.11
TG 54:1
ME196861
-
-
11.11
-
TG 54:2; [M+Na]+@10.97
TG 54:2
ME196864
-
-
10.97
-
TG 54:2; [M+NH4]+@10.85
TG 54:2
ME196863
-
-
10.85
-
TG 54:3; [M+Na]+@10.74
TG 54:3
ME196866
-
-
10.74
-
TG 54:3; [M+NH4]+@10.67
TG 54:3
ME196865
-
-
10.67
-
TG 54:4; [M+NH4]+@10.50
TG 54:4
ME196868
-
-
11.23
-
TG 54:4; [M+NH4]+@11.23
TG 54:4
ME196867
-
-
11.23
-
TG 54:5; [M+NH4]+@10.29
TG 54:5
ME196869
-
-
10.29
-
TG 54:6; [M+NH4]+@10.12
TG 54:6
ME196870
-
-
10.12
-
TG 54:7; [M+NH4]+@9.97
TG 54:7
ME196871
-
-
9.97
-
TG 54:8; [M+Na]+@9.78
TG 54:8
ME196873
-
-
9.78
-
TG 54:8; [M+NH4]+@9.80
TG 54:8
ME196872
-
-
9.8
-
TG 54:9; [M+NH4]+@9.60
TG 54:9
ME196874
-
-
9.6
-
TG 55:1; [M+NH4]+@11.25
TG 55:1
ME196875
-
-
11.25
-
TG 55:2; [M+NH4]+@11.01
TG 55:2
ME196876
-
-
11.01
-
TG 55:3; [M+NH4]+@10.85
TG 55:3
ME196877
-
-
10.85
-
TG 55:4; [M+NH4]+@10.64
TG 55:4
ME196878
-
-
10.64
-
TG 55:5; [M+NH4]+@10.58
TG 55:5
ME196879
-
-
10.58
-
TG 55:6; [M+NH4]+@10.38
TG 55:6
ME196880
-
-
10.38
-
TG 55:7; [M+NH4]+@10.17
TG 55:7
ME196881
-
-
10.17
-
TG 55:8; [M+NH4]+@9.99
TG 55:8
ME196882
-
-
9.99
-
TG 55:9; [M+NH4]+@9.81
TG 55:9
ME196883
-
-
9.81
-
TG 56:0; [M+NH4]+@11.62
TG 56:0
ME196884
-
-
11.62
-
TG 56:10; [M+NH4]+@9.74
TG 56:10
ME196886
-
-
9.74
-
TG 56:11; [M+NH4]+@9.60
TG 56:11
ME196887
-
-
9.6
-
TG 56:1; [M+NH4]+@11.36
TG 56:1
ME196885
-
-
11.36
-
TG 56:2; [M+NH4]+@11.12
TG 56:2
ME196888
-
-
11.12
-
TG 56:3; [M+NH4]+@10.94
TG 56:3
ME196889
-
-
10.94
-
TG 56:4; [M+NH4]+@10.79
TG 56:4
ME196890
-
-
10.79
-
TG 56:5; [M+NH4]+@10.63
TG 56:5
ME196891
-
-
10.63
-
TG 56:6; [M+NH4]+@10.46
TG 56:6
ME196892
-
-
10.46
-
TG 56:7; [M+NH4]+@10.30
TG 56:7
ME196893
-
-
10.3
-
TG 56:8; [M+NH4]+@10.08
TG 56:8
ME196894
-
-
10.08
-
TG 56:9; [M+NH4]+@9.89
TG 56:9
ME196895
-
-
9.89
-
TG 57:10; [M+NH4]+@9.82
TG 57:10
ME196897
-
-
9.82
-
TG 57:1; [M+NH4]+@11.50
TG 57:1
ME196896
-
-
11.5
-
TG 57:2; [M+NH4]+@11.27
TG 57:2
ME196898
-
-
11.27
-
TG 57:3; [M+NH4]+@11.11
TG 57:3
ME196899
-
-
11.11
-
TG 57:6; [M+NH4]+@10.59
TG 57:6
ME196900
-
-
10.59
-
TG 57:7; [M+NH4]+@10.38
TG 57:7
ME196901
-
-
10.38
-
TG 57:8; [M+NH4]+@10.23
TG 57:8
ME196902
-
-
10.23
-
TG 58:10; [M+NH4]+@10.01
TG 58:10
ME196904
-
-
10.01
-
TG 58:11; [M+Na]+@9.85
TG 58:11
ME196906
-
-
9.85
-
TG 58:11; [M+NH4]+@9.81
TG 58:11
ME196905
-
-
9.81
-
TG 58:12; [M+NH4]+@9.66
TG 58:12
ME196907
-
-
9.66
-
TG 58:13; [M+NH4]+@9.39
TG 58:13
ME196908
-
-
9.39
-
TG 58:1; [M+NH4]+@11.64
TG 58:1
ME196903
-
-
11.64
-
TG 58:2; [M+NH4]+@11.39
TG 58:2
ME196909
-
-
11.39
-
TG 58:3; [M+NH4]+@11.13
TG 58:3
ME196911
-
-
11.22
-
TG 58:3; [M+NH4]+@11.22
TG 58:3
ME196910
-
-
11.22
-
TG 58:4; [M+NH4]+@11.03
TG 58:4
ME196912
-
-
11.03
-
TG 58:5; [M+NH4]+@10.86
TG 58:5
ME196913
-
-
10.86
-
TG 58:6; [M+NH4]+@10.65
TG 58:6
ME196914
-
-
10.65
-
TG 58:7; [M+NH4]+@10.52
TG 58:7
ME196915
-
-
10.52
-
TG 58:8; [M+NH4]+@10.38
TG 58:8
ME196916
-
-
10.38
-
TG 58:9; [M+NH4]+@10.21
TG 58:9
ME196917
-
-
10.21
-
TG 59:3; [M+NH4]+@11.32
TG 59:3
ME196918
-
-
11.32
-
TG 60:10; [M+NH4]+@10.27
TG 60:10
ME196920
-
-
10.27
-
TG 60:11; [M+NH4]+@10.19
TG 60:11
ME196921
-
-
10.19
-
TG 60:12; [M+NH4]+@9.94
TG 60:12
ME196922
-
-
9.94
-
TG 60:13; [M+NH4]+@9.78
TG 60:13
ME196923
-
-
9.78
-
TG 60:14; [M+NH4]+@9.62
TG 60:14
ME196924
-
-
9.62
-
TG 60:1; [M+NH4]+@11.91
TG 60:1
ME196919
-
-
11.91
-
TG 60:2; [M+NH4]+@11.66
TG 60:2
ME196925
-
-
11.66
-
TG 60:3; [M+NH4]+@11.42
TG 60:3
ME196926
-
-
11.42
-
TG 60:4; [M+NH4]+@11.22
TG 60:4
ME196927
-
-
11.22
-
TG 60:5; [M+NH4]+@11.15
TG 60:5
ME196928
-
-
11.15
-
TG 60:6; [M+NH4]+@10.89
TG 60:6
ME196929
-
-
10.89
-
TG 60:8; [M+NH4]+@10.59
TG 60:8
ME196930
-
-
10.59
-
TG 60:9; [M+NH4]+@10.43
TG 60:9
ME196931
-
-
10.43
-
TG 61:2; [M+NH4]+@11.83
TG 61:2
ME196932
-
-
11.83
-
TG 62:11; [M+NH4]+@10.37
TG 62:11
ME196934
-
-
10.37
-
TG 62:12; [M+NH4]+@10.15
TG 62:12
ME196935
-
-
10.15
-
TG 62:13; [M+NH4]+@10.01
TG 62:13
ME196936
-
-
10.01
-
TG 62:14; [M+NH4]+@9.88
TG 62:14
ME196937
-
-
9.88
-
TG 62:15; [M+NH4]+@9.72
TG 62:15
ME196938
-
-
9.72
-
TG 62:1; [M+NH4]+@12.30
TG 62:1
ME196933
-
-
12.3
-
TG 62:2; [M+NH4]+@11.97
TG 62:2
ME196939
-
-
11.97
-
TG 62:3; [M+NH4]+@11.74
TG 62:3
ME196940
-
-
11.74
-
UCSD Metabolomics Workbench, a resource sponsored by the Common Fund of the National Institutes of Health
Terms of use
Site map
Contact
NMDR Personnel