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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
5-VALEROLACTONE (CAS# 542-28-9); (M+HCOO)-
5-Valerolactone
ME195649
10953
-
1.645
100.0526
2-HYDROXYBUTYRATE (CAS# ); (M-H)-
2-Hydroxybutyric acid
ME195613
11266
-
1.701
104.0474
ALPHA-HYDROXYISOBUTYRIC ACID (CAS# 594-61-6); (M-H...
2-Hydroxyisobutyric acid
ME195654
440873
-
1.701
104.0474
BENZALDEHYDE (CAS# 100-52-7); (M+HCOO)-
Benzaldehyde
ME195662
240
-
4.895
106.041
CATECHOL (CAS# 120-80-9); (M-H)-
Pyrocatechol
ME195671
289
-
2.501
110.0368
URACIL (CAS# 66-22-8); (M-H)-
Uracil
ME195844
1174
-
0.705
112.0279
FUMARATE (CAS# 110-17-8); (M-H)-
Fumaric acid
ME195711
444972
-
1.147
116.0118
MALEIC ACID (CAS# 110-16-7); (M-H)-
Maleic acid
ME195765
444266
-
1.037
116.012
N-ACETYLGLYCINE (CAS# 543-24-8); (M-H)-
N-Acetylglycine
ME195783
1097
-
0.942
117.0428
METHYLMALONATE (CAS# 516-05-2); (M-H)-
Methylmalonic acid
ME195771
487
-
1.348
118.0268
SUCCINATE (CAS# 110-15-6); (M-H)-
Succinic acid
ME195827
1110
-
1.344
118.0268
2-HYDROXY-3-METHYLBUTYRIC ACID (CAS# 4026-18-0); (...
2-Hydroxy-3-methylbutyric acid
ME195612
853180
-
3.533
118.063
THREONINE (CAS# 72-19-5); (M+HCOO)-[-H2O]
Threonine
ME195832
6288
-
0.755
119.0593
PURINE (CAS# 120-73-0); (M-H)-
Purine
ME195812
1044
-
1.585
120.0436
BENZOATE (CAS# 65-85-0); (M-H)-
Benzoic acid
ME195663
243
-
5.624
122.037
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
(2-AMINOETHYL)PHOSPHONATE (CAS# 2041-14-7); (M-H)-
Ciliatine
ME195593
339
-
0.998
125.023
N-ETHYLMALEIMIDE (CAS# 128-53-0); (M-H)-
N-Ethylmaleimide
ME195787
4362
-
3.44
125.0474
5-OXOPROLINE (CAS# 4042-36-8); (M-H)-
Pyroglutamic acid
ME195648
7405
-
1.207
129.0425
2-METHYLMALEATE (CAS# 498-23-7); (M-H)-
Citraconic acid
ME195615
643798
-
2.446
130.0268
ITACONATE (CAS# 97-65-4); (M-H)-
Itaconic acid
ME195744
811
-
1.798
130.0278
(S)-3-METHYL-2-OXOPENTANOATE (CAS# 1460-34-0); (M-...
3-Methyl-2-oxovaleric acid
ME195594
47
-
4.32
130.0629
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
N-ACETYL-L-ALANINE (CAS# 97-69-8); (M-H)-
N-Acetylalanine
ME195780
88064
-
1.53
131.0583
ISOLEUCINE (CAS# 73-32-5); (M-H)-
Isoleucine
ME195743
6306
-
1.609
131.0937
LEUCINE (CAS# 328-39-2); (M-H)-
Leucine
ME195759
6106
-
1.609
131.0937
NORLEUCINE (CAS# 327-57-1); (M-H)-
Norleucine
ME195793
21236
-
1.609
131.0937
ETHYLMALONIC ACID (CAS# 601-75-2); (M-H)-
Ethylmalonic acid
ME195708
11756
-
2.572
132.0416
MALATE (CAS# 97-67-6); (M-H)-
Malic acid
ME195764
222656
-
0.88
134.0224
HYPOXANTHINE (CAS# 68-94-0); (M-H)-
Hypoxanthine
ME195734
790
-
1.002
136.0375
PHENYL ACETATE (CAS# 122-79-2); (M+HCOO)-
Phenyl acetate
ME195805
999
-
3.848
136.0517
4-HYDROXYBENZOATE (CAS# 99-96-7); (M-H)-
4-Hydroxybenzoic acid
ME195634
135
-
4.135
138.031
SALICYLATE (CAS# 69-72-7); (M-H)-
Salicylic acid
ME195821
338
-
8.284
138.0316
L-[15N]ANTHRANILIC ACID [ISTD] (CAS# ); (M-H)-
2-Aminobenzoic acid
ME195755
227
-
5.415
138.0445
4-NITROPHENOL (CAS# 100-02-7); (M-H)-
4-Nitrophenol
ME195639
980
-
7.106
139.0268
CYCLOHEPTANECARBOXYLIC ACID (CAS# 1460-16-8); (M+H...
Cycloheptanecarboxylic acid
ME195689
15091
-
10.805
142.0989
4-ACETAMIDOBUTANOATE (CAS# 3025-96-5); (M-H)-
4-Acetamidobutanoic acid
ME195629
18189
-
1.838
145.0734
ALPHA-KETO-GLUTARATE (CAS# 328-50-7); (M-H)-
2-Oxoglutaric acid
ME195655
51
-
0.929
146.0222
2-METHYLGLUTARIC ACID (CAS# 18069-17-5); (M-H)-
2-Methylglutaric acid
ME195614
12046
-
3.627
146.058
3-METHYGLUTARIC ACID (CAS# 626-51-7); (M-H)-
Methylglutaric acid
ME195625
12284
-
3.626
146.058
ADIPIC ACID (CAS# 124-04-9 ); (M-H)-
Adipic acid
ME195651
196
-
3.626
146.058
MONO-METHYL GLUTARATE (CAS# 1501-27-5); (M-H)-
Monomethyl glutaric acid
ME195773
73917
-
3.626
146.058
GLUTAMINE (CAS# 56-85-9); (M-H)-
Glutamine
ME195723
5961
-
0.684
146.0686
N-ACETYL-DL-SERINE (CAS# 97-14-3); (M-H)-
N-Acetylserine
ME195779
65249
-
0.748
147.0532
GLUTAMATE (CAS# 56-86-0); (M-H)-
Glutamic acid
ME195722
33032
-
0.732
147.0542
N-METHYL-D-ASPARTIC ACID (CAS# 6384-92-5); (M-H)-
N-Methyl-D-aspartic acid
ME195788
4376
-
0.732
147.0542
CITRAMALATE (CAS# 2306-22-1); (M-H)-
Citramalic acid
ME195679
441696
-
1.44
148.0372
MEVALONIC ACID (CAS# 674-26-0); (M-H)-
Mevalonic acid
ME195772
439230
-
1.628
148.0723
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
XYLOSE (CAS# 58-86-6); (M+HCOO)-
Xylose
ME195853
135191
-
0.711
150.0526
D-LYXOSE (CAS# 1114-34-7); (M-H)-
Lyxose
ME195693
65550
-
0.712
150.0533
ACETAMINOPHEN (TN TYLENOL) (CAS# 103-90-2); (M-H)-
Acetaminophen
ME195650
1983
-
3.127
151.0627
XANTHINE (CAS# 69-89-6); (M-H)-
Xanthine
ME195851
1188
-
1.335
152.0334
3-HYDROXYPHENYLACETATE (CAS# 621-37-4); (M-H)-
3-Hydroxyphenylacetic acid
ME195624
12122
-
7.92
152.0465
4-HYDROXYPHENYLACETATE (CAS# 156-38-7); (M-H)-
4-Hydroxyphenyl acetate
ME195635
127
-
4.895
152.0465
RESORCINOL MONOACETATE (CAS# 102-29-4); (M-H)-
Resorcinol monoacetate
ME195816
5055
-
7.514
152.0467
MANDELIC ACID (CAS# 611-71-2); (M-H)-
Mandelic acid
ME195767
11914
-
5.859
152.047
ARABITOL (CAS# 7643-75-6); (M+HCOO)-
Arabitol
ME195657
94154
-
0.75
152.069
3-AMINO-4-HYDROXYBENZOIC ACID (CAS# 1571-72-8); (M...
3-Amino-4-hydroxybenzoic acid
ME195621
65083
-
0.95
153.0419
AHBA (CAS# 76045-71-1); (M-H)-
3-Amino-5-hydroxybenzoic acid
ME195652
127115
-
0.95
153.0419
4-NITROCATECHOL (CAS# 3316-09-4); (M-H)-
4-Nitrocatechol
ME195638
3505109
-
5.451
155.0212
L-HISTIDINE (CAS# 71-00-1); (M-H)-
Histidine
ME195750
6274
-
0.69
155.0684
N-METHYL-L-GLUTAMATE (CAS# 6753-62-4); (M-H)-
N-Methyl-glutamic acid
ME195789
439377
-
0.744
161.0679
3-HYDROXY-3-METHYLGLUTARATE (CAS# 503-49-1); (M-H)...
3-Hydroxymethylglutaric acid
ME195622
1662
-
1.598
162.0518
PTERIN (CAS# 2236-60-4); (M-H)-
Pterin
ME195811
73000
-
1.834
163.0487
4-COUMARATE (CAS# 501-98-4); (M-H)-
cis-p-Coumaric acid
ME195631
637542
-
7.208
164.0472
2-DEOXY-D-GLUCOSE (CAS# 154-17-6); (M+HCOO)-
2-Deoxy-glucose
ME195611
439268
-
0.706
164.067
L-RHAMNOSE (CAS# 10030-85-0); (M+HCOO)-
Rhamnose
ME195752
25310
-
0.706
164.067
2-DEOXY-D-GLUCOSE (CAS# 154-17-6); (M+CL)-
2-Deoxy-glucose
ME195610
439268
-
0.722
164.0684
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
PHENYLALANINE (CAS# 63-91-2); (M-H)-
Phenylalanine
ME195806
6140
-
2.551
165.0784
TEREPHTHALATE (CAS# 100-21-0); (M-H)-
Terephthalic acid
ME195830
7489
-
5.864
166.0254
PHTHALATE (CAS# 88-99-3); (M-H)-
Phthalic acid
ME195807
1017
-
5.418
166.0265
1-METHYLXANTHINE (CAS# 6136-37-4); (M-H)-
1-Methylxanthine
ME195599
80220
-
2.559
166.0493
3-METHYLXANTHINE (CAS# 1076-22-8); (M-H)-
3-Methylxanthine
ME195626
70639
-
2.528
166.0496
3-(2-HYDROXYPHENYL)PROPANOATE (CAS# 495-78-3); (M-...
3-(2-Hydroxyphenyl)propanoic acid
ME195619
873
-
7.922
166.0634
URATE (CAS# 69-93-2); (M-H)-
Uric acid
ME195845
1175
-
1.039
168.0285
HOMOGENTISATE (CAS# 451-13-8); (M-H)-
Homogentisic acid
ME195732
780
-
2.53
168.0425
DECANOATE (CAS# 334-48-5); (M-H)-
Capric acid
ME195697
2969
-
19.911
172.1458
TRANS-ACONITATE (CAS# 4023-65-8); (M-H)-
trans-Aconitic acid
ME195834
444212
-
1.141
174.0168
CIS-ACONITATE (CAS# 585-84-2); (M-H)-
cis-Aconitic acid
ME195675
643757
-
1.188
174.0169
DEHYDROASCORBATE (CAS# 490-83-5); (M-H)-
Dehydroascorbic acid
ME195698
210328
-
0.9
174.0172
SUBERIC ACID (CAS# 505-48-6); (M-H)-
Suberic acid
ME195826
10457
-
8.31
174.089
N-ACETYL-L-ASPARTIC ACID (CAS# 997-55-7); (M-H)-
N-Acetylaspartic acid
ME195781
65065
-
0.962
175.0467
INDOLE-3-ACETATE (CAS# 87-51-4); (M-H)-
Indoleacetic acid
ME195739
802
-
8.468
175.062
CITRULLINE (CAS# 372-75-8); (M-H)-
Citrulline
ME195681
9750
-
0.683
175.0954
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
HIPPURATE (CAS# 495-69-2); (M-H)-
Hippuric acid
ME195731
464
-
4.842
179.058
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
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
FRUCTOSE (CAS# 57-48-7); (M+CL)-
Fructose
ME195710
5984
-
0.697
180.0634
GLUCOSE (CAS# 50-99-7); (M+CL)-
Glucose
ME195720
5793
-
0.697
180.0634
ALLOSE (CAS# 2595-97-3); (M-H)+[-H2O]
Allose
ME195653
439507
-
1.598
180.0635
GLUCOSE (CAS# 50-99-7); (2M+CL)-[-H2O]
Glucose
ME195719
5793
-
0.699
180.0641
PARAXANTHINE (CAS# 611-59-6); (M-H)-
Paraxanthine
ME195804
4687
-
4.485
180.0645
THEOPHYLLINE (CAS# 58-55-9); (M-H)-
Theophylline
ME195831
2153
-
4.485
180.0645
TYROSINE (CAS# 60-18-4); (M-H)-
Tyrosine
ME195843
6057
-
1.368
181.0733
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-(4-HYDROXYPHENYL)LACTATE (CAS# 6482-98-0); (M-H)...
Hydroxyphenyllactic acid
ME195620
9378
-
3.848
182.0572
MANNITOL (CAS# 69-65-8); (M-H)-
Mannitol
ME195768
6251
-
0.715
182.0778
4-PYRIDOXATE (CAS# 82-82-6); (M-H)-
4-Pyridoxic acid
ME195641
6723
-
1.923
183.0528
1-HYDROXY-2-NAPHTHOATE (CAS# 86-48-6); (M-H)-
1-Hydroxy-2-naphthoate
ME195595
6844
-
15.839
188.0473
AZELAIC ACID (CAS# 123-99-9); (M-H)-
Azelaic acid
ME195660
2266
-
10.805
188.1045
4-HYDROXY-2-QUINOLINECARBOXYLIC ACID-KRYNURENIC AC...
Kynurenic acid
ME195632
3845
-
4.951
189.0414
5-HYDROXYINDOLEACETATE (CAS# 54-16-0); (M-H)-
5-Hydroxyindoleacetic acid
ME195646
1826
-
4.07
191.0594
N-ACETYL-DL-METHIONINE (CAS# 1115-47-5); (M-H)-
N-Acetylmethionine
ME195778
448580
-
4.096
191.0606
ISOCITRATE (CAS# 320-77-4); (M-H)-
Isocitric acid
ME195742
5318532
-
1.003
192.0274
CITRATE (CAS# 77-92-9); (M-H)-
Citric acid
ME195680
311
-
1.052
192.0277
QUINATE (CAS# 77-95-2); (M-H)-
Quinic acid
ME195813
6508
-
0.718
192.0635
GALACTURONIC ACID (CAS# 91510-62-2); (M-H)-
Galacturonic acid
ME195712
84740
-
0.691
194.0421
GLUCURONIC ACID (CAS# 6556-12-3); (M-H)-
Glucuronic acid
ME195721
94715
-
0.691
194.0421
FERULATE (CAS# 1135-24-6); (M-H)-
trans-Ferulic acid
ME195709
445858
-
7.629
194.0576
METHYL BETA-D-GALACTOSIDE (CAS# 1824-94-8); (M+CL)...
Methyl beta-D-galactoside
ME195770
94214
-
0.924
194.0801
PINITOL (CAS# 10284-63-6); (M+CL)-
Pinitol
ME195809
164619
-
0.924
194.0801
SALICYLURIC ACID (CAS# 487-54-7); (M-H)-
Salicyluric acid
ME195822
10253
-
6.273
195.0527
GLUCONIC ACID (CAS# 526-95-4); (M-H)-
Gluconic acid
ME195718
10690
-
0.705
196.0577
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
LAURIC ACID (CAS# 143-07-7); (M-H)-
Lauric acid
ME195758
3893
-
21.812
200.1775
SEBACIC ACID (CAS# 111-20-6); (M-H)-
Sebacic acid
ME195823
5192
-
13.032
202.1202
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
L-TRYPTOPHAN-15N2 [ISTD] (CAS# ); (M-H)-
Tryptophan
ME195754
16217285
-
3.667
206.0843
IBUPROFEN (CAS# 15687-27-1); (M-H)-
Ibuprofen
ME195735
114864
-
18.963
206.1303
KYNURENINE (CAS# 343-65-7); (M-H)-
Kynurenine
ME195747
161166
-
2.252
208.0838
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
GLUCARIC ACID (CAS# 87-73-0); (M-H)+[-H2O]
Glucaric acid
ME195717
33037
-
0.998
210.0391
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
TRIDECANOIC ACID (CAS# 638-53-9); (M-H)-
Tridecylic acid
ME195840
12530
-
22.214
214.193
4-NITROPHENYL PHOSPHATE (CAS# 330-13-2); (M-H)-
4-Nitrophenyl phosphate
ME195640
378
-
2.568
218.9921
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
CIS-ZEATIN (CAS# 1637-39-4); (M+CL)-
cis-Zeatin
ME195677
688597
-
3.952
219.1121
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
CIS-ZEATIN (CAS# 1637-39-4); (M-H)-
cis-Zeatin
ME195678
688597
-
3.951
219.1123
5-HYDROXYTRYPTOPHAN (CAS# 4350-09-8); (2M-H)-
5-Hydroxy-tryptophan
ME195647
439280
-
2.148
220.0831
N-ACETYL-D-GLUCOSAMINE (CAS# 7512-17-6); (M+CL)-
N-Acetylglucosamine
ME195776
446101
-
0.707
221.0919
N-ACETYL-D-MANNOSAMINE (CAS# 3615-17-6); (M+CL)-
N-Acetyl-mannosamine
ME195777
53477792
-
0.707
221.0919
N-ACETYLGALACTOSAMINE (CAS# 1811-31-0); (M+CL)-
N-Acetylgalactosamine
ME195782
35717
-
0.707
221.0919
3-NITRO-L-TYROSINE (CAS# 621-44-3); (M+CL)-
Nitrotyrosine
ME195627
65124
-
3.018
226.0575
MYRISTOLEIC ACID (CAS# 544-64-9); (M-H)-
Myristoleic acid
ME195775
5281119
-
22.099
226.1932
DEOXYURIDINE (CAS# 951-78-0); (M+HCOO)-
Deoxyuridine
ME195702
13712
-
1.577
228.0729
DEOXYURIDINE (CAS# 951-78-0); (M+CL)-
Deoxyuridine
ME195701
13712
-
1.647
228.0738
MYRISTIC ACID (CAS# 544-63-8); (M-H)-
Myristic acid
ME195774
11005
-
22.498
228.2089
NAPROXEN (CAS# 22204-53-1); (M-H)-
Naproxen
ME195791
156391
-
15.831
230.0939
4-ACETAMINOPHEN SULFATE (CAS# 32113-41-0); (M-H)-
Paracetamol sulfate
ME195630
83939
-
2.394
231.02
IBUPROFEN CARBOXYLIC ACID (CAS# 15935-54-3); (M+CL...
-
ME195737
10444113
-
13.021
236.1039
IBUPROFEN CARBOXYLIC ACID (CAS# 15935-54-3); (2M-H...
-
ME195736
10444113
-
13.075
236.1041
IBUPROFEN CARBOXYLIC ACID (CAS# 15935-54-3); (M-H)...
-
ME195738
10444113
-
13.08
236.1043
LUMICHROME (CAS# 1086-80-2); (M-H)-
Lumichrome
ME195763
5326566
-
11.001
242.0805
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
5'-DEOXYADENOSINE (CAS# 4754-39-6); (M+HCOO)-
5'-Deoxyadenosine
ME195642
439182
-
2.558
251.1
DEOXYADENOSINE (CAS# 16373-93-6); (M+CL)-
Deoxyadenosine
ME195699
13730
-
1.825
251.1009
2'-DEOXYINOSINE (CAS# 890-38-0); (M+CL)-
Deoxyinosine
ME195609
65058
-
1.802
252.0872
PALMITOLEIC ACID (CAS# 373-49-9); (M-H)-
Palmitoleic acid
ME195801
445638
-
22.622
254.2248
PALMITATE (CAS# 57-10-3); (M-H)-
Palmitic acid
ME195800
985
-
22.895
256.2405
2'-DEOXYGUANOSINE (CAS# 961-07-9); (M-H)-
Deoxyguanosine
ME195608
187790
-
1.655
267.0943
INOSINE (CAS# 58-63-9); (M-H)-
Inosine
ME195741
6021
-
1.823
268.0807
INOSINE (CAS# 58-63-9); (M+CL)-
Inosine
ME195740
6021
-
1.819
268.0808
HEPTADECANOATE (CAS# 506-12-7); (M-H)-
Margaric acid
ME195729
10465
-
23.049
270.2559
ALPHA-LINOLENIC ACID (CAS# 463-40-1); (M+HCOO)-
alpha-Linolenic acid
ME195656
5280934
-
22.887
278.2221
GAMMA-LINOLENIC ACID (CAS# 506-26-3); (M+HCOO)-
gamma-Linolenic acid
ME195713
5280933
-
22.887
278.2221
LINOLEATE (CAS# 60-33-3); (M-H)-
Linoleic acid
ME195761
5280450
-
22.776
280.2407
1-METHYLADENOSINE (CAS# 15763-06-1); (M+CL)-
1-Methyladenosine
ME195596
27476
-
3.054
281.1116
CIS-VACCENIC ACID (CAS# 506-17-2); (M-H)-
cis-Vaccenic acid
ME195676
5282761
-
22.967
282.2562
ELAIDIC ACID (CAS# 112-79-8); (M-H)-
Elaidic acid
ME195704
637517
-
22.967
282.2562
OLEIC ACID (CAS# 112-80-1); (M-H)-
Oleic acid
ME195794
445639
-
22.967
282.2562
TRANS-VACCENIC ACID (CAS# 693-72-1); (M-H)-
trans-Vaccenic acid
ME195835
5281127
-
22.967
282.2562
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
XANTHOSINE (CAS# 146-80-5); (M-H)-
Xanthosine
ME195852
64959
-
2.39
284.0755
STEARATE (CAS# 57-11-4); (M-H)-
Stearic acid
ME195825
5281
-
23.224
284.2719
5'-METHYLTHIOADENOSINE (CAS# 2457-80-9); (M+HCOO)-
5'-Methylthioadenosine
ME195644
439176
-
4.558
297.0883
5'-METHYLTHIOADENOSINE (CAS# 2457-80-9); (M+CL)-
5'-Methylthioadenosine
ME195643
439176
-
4.542
297.089
RETINOATE (CAS# 302-79-4); (M-H)-
Retinoic acid
ME195817
444795
-
22.339
300.2104
RAC-GLYCEROL 1-MYRISTATE (CAS# 75685-84-6); (M+CL)...
MG 14:0
ME195814
79050
-
22.474
302.247
ARACHIDONATE (CAS# 506-32-1); (M-H)-
Arachidonic acid
ME195659
444899
-
22.738
304.2405
N-ACETYLNEURAMINATE (CAS# 131-48-6); (M-H)-
N-Acetylneuraminic acid
ME195784
439197
-
0.932
309.1048
CIS-11-EICOSENOIC ACID (CAS# 5561-99-9); (M-H)-
cis-Gondoic acid
ME195674
5282768
-
23.297
310.2872
PHYTANATE (CAS# 14721-66-5); (M-H)-
Phytanic acid
ME195808
10380830
-
23.304
312.3015
ARACHIDIC ACID (CAS# 506-30-9); (M-H)-
Arachidic acid
ME195658
10467
-
23.631
312.3026
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
DOCOSAHEXAENOIC ACID (CAS# 6217-54-5 ); (M-H)-
Docosahexaenoic acid
ME195703
445580
-
22.73
328.2404
ERUCIC ACID (CAS# 112-86-7); (M-H)-
cis-Erucic acid
ME195707
5281116
-
23.704
338.3184
N-OLEOYLGLYCINE (CAS# 2601-90-3); (2M-H)-
N-Oleoyl glycine
ME195790
6436908
-
22.383
339.2744
BEHENIC ACID (CAS# 112-85-6); (M-H)-
Behenic acid
ME195661
8215
-
24.137
340.3331
BETA-MALTOSE (CAS# 69-79-4); (2M+CL)-[-H2O]
Maltose
ME195665
439186
-
0.717
342.1148
LACTOSE (CAS# 63-42-3); (M-H)-
Lactose
ME195757
440995
-
0.698
342.1149
BETA-MALTOSE (CAS# 69-79-4); (M+CL)-
Maltose
ME195666
439186
-
0.699
342.1164
CELLOBIOSE (CAS# 528-50-7); (M+CL)-
Cellobiose
ME195672
294
-
0.699
342.1164
LACTOSE (CAS# 63-42-3); (M+CL)-
Lactose
ME195756
440995
-
0.699
342.1164
MALTOSE (CAS# 69-79-4); (M+CL)-
Maltose
ME195766
439186
-
0.699
342.1164
MELIBIOSE (CAS# 585-99-9); (M+CL)-
Melibiose
ME195769
440658
-
0.699
342.1164
PALATINOSE (CAS# 343336-76-5); (M+CL)-
Palatinose
ME195799
439559
-
0.699
342.1164
SUCROSE (CAS# 57-50-1); (M+CL)-
Sucrose
ME195828
5988
-
0.699
342.1164
OMEPRAZOLE (CAS# 73590-58-6); (M-H)-
Omeprazole
ME195795
4594
-
11.248
345.1146
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-H)-
Gibberellin A3
ME195716
6466
-
8.556
346.1412
GIBBERELLIC ACID [ISTD] (CAS# 77-06-5); (M+CL)-
Gibberellin A3
ME195715
6466
-
8.555
346.1446
CORTICOSTERONE (CAS# 50-22-6); (M+HCOO)-
Corticosterone
ME195683
5753
-
15.457
346.2118
CORTICOSTERONE (CAS# 50-22-6); (M+CL)-
Corticosterone
ME195682
5753
-
15.203
346.2122
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
TRICOSANOIC ACID (CAS# 2433-96-7); (M-H)-
Tricosylic acid
ME195839
17085
-
24.421
354.3487
1-OLEOYL-RAC-GLYCEROL (CAS# 111-03-5); (M+HCOO)-
MG 18:1
ME195600
5283468
-
22.706
356.2913
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
5-HYDROXY OMEPRAZOLE (CAS# 92340-57-3); (M-H)-
5-Hydroxyomeprazole
ME195645
119560
-
12.42
361.1096
OMEPRAZOLE SULFONE (CAS# 88546-55-8); (M-H)-
Omeprazole sulfone
ME195796
145900
-
12.42
361.1096
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
NERVONIC ACID (CAS# 506-37-6); (M-H)-
Nervonic acid
ME195792
5281120
-
24.204
366.3497
3BETA-HYDROXYANDROST-5-EN-17-ONE 3-SULFATE (CAS# )...
Dehydroepiandrosterone sulfate
ME195628
12594
-
15.144
368.1659
LIGNOCERIC ACID (CAS# 557-59-5); (M-H)-
Lignoceric acid
ME195760
11197
-
24.805
368.3647
RIBOFLAVIN (CAS# 83-88-5); (M-H)-
Riboflavin
ME195818
493570
-
7.602
376.1392
LITHOCHOLIC ACID (CAS# 434-13-9); (M-H)-
Lithocholic acid
ME195762
9903
-
22.092
376.2941
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
URSODIOL (CAS# 128-13-2); (M+HCOO)-
Ursodeoxycholic acid
ME195849
31401
-
21.639
392.2907
DEOXYCHOLIC ACID (CAS# 83-44-3); (M-H)-
Deoxycholic acid
ME195700
222528
-
21.761
392.2918
URSODIOL (CAS# 128-13-2); (M-H)-
Ursodeoxycholic acid
ME195850
31401
-
21.745
392.292
HYODEOXYCHOLATE (CAS# 83-49-8); (M-H)-
Hyodeoxycholic acid
ME195733
5283820
-
22.911
392.2939
HEXACOSANOIC ACID (CAS# 506-46-7); (M-H)-
Cerotic acid
ME195730
10469
-
25.719
396.3964
CORTISOL 21-ACETATE (CAS# 50-03-3); (M+CL)-
Cortisol 21-acetate
ME195686
5744
-
15.408
404.2161
CHOLATE (CAS# 81-25-4); (M-H)-
Cholic acid
ME195673
221493
-
20.417
408.2853
GLYCOLITHOCHOLATE (CAS# 474-74-8 ); (M-H)-
Glycolithocholic acid
ME195726
115245
-
21.705
433.3219
TRIACONTANOIC ACID (CAS# 506-50-3); (M-H)-
Melissic acid
ME195836
10471
-
28.837
452.4598
GLYCOCHOLATE (CAS# 475-31-0); (M-H)-
Glycocholic acid
ME195725
10140
-
18.939
465.3081
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
18:0 LYSO-PE (CAS# 69747-55-3); (M-H)-
LPE 18:0
ME195607
9547068
-
22.706
481.3158
TAUROLITHOCHOLATE (CAS# 516-90-5); (M-H)-
Taurolithocholic acid
ME195829
439763
-
21.578
483.2992
16:0 LYSO PC (CAS# 17364-16-8); (M+HCOO)-
LPC 16:0
ME195604
460602
-
22.236
495.3321
16:0 LYSO PC (CAS# 17364-16-8); (M+CL)-
LPC 16:0
ME195603
460602
-
22.298
495.3368
BIS-GAMMA-GLUTAMYLCYSTINE (CAS# 23052-19-9); (M-H)...
Bis-gamma-glutamylcystine
ME195668
90657696
-
1.362
498.1126
RAFFINOSE (CAS# 512-69-6); (M+CL)-
Raffinose
ME195815
439242
-
0.713
504.1686
BETA-CAROTENE (CAS# 7235-40-7); (M-H)-
beta-Carotene
ME195664
5280489
-
23.384
536.4366
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
BILIVERDIN (CAS# 114-25-0); (M-H)-
Biliverdin
ME195667
5280353
-
18.682
582.2458
C12 GALACTOSYL(BETA) CERAMIDE (D18:1/12:0) (CAS# 4...
-
ME195670
46891735
-
23.019
643.5003
C12 GALACTOSYL(BETA) CERAMIDE (D18:1/12:0) (CAS# 4...
-
ME195669
46891735
-
22.949
643.5007
STACHYOSE (CAS# 54261-98-2); (M+CL)-
Stachyose
ME195824
439531
-
0.717
666.2204
PROPYNOATE (CAS# 471-25-0); (M-H)-
Propynoic acid
ME195810
10110
-
0.871
70.0048
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
THYROXINE (CAS# 51-48-9); (M-H)-
Thyroxine
ME195833
5819
-
16.288
776.6876
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
GLYCERALDEHYDE (CAS# 367-47-5); (2M-H)-[-H2O]
Glyceraldehyde
ME195724
79014
-
1.606
90.0311
Analysis: Reversed phase POSITIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
5-VALEROLACTONE (CAS# 542-28-9); (M+H)+
5-Valerolactone
ME195945
10953
-
2.125
100.0517
1-AMINOCYCLOPROPANE-1-CARBOXYLATE (CAS# 22059-21-8...
1-Aminocyclopropanecarboxylic acid
ME195861
5460234
-
1.061
101.0468
ACETOACETATE (CAS# 541-50-4); (M+H)+
Acetoacetic acid
ME195951
96
-
2.6
102.0311
BIURET (CAS# 108-19-0); (M+NA)+
Biuret
ME195976
7913
-
1.043
103.0389
3-AMINOISOBUTANOATE (CAS# 144-90-1); (M+H)+[-H2O]
3-Aminoisobutanoic acid
ME195898
64956
-
1.823
103.0633
2-HYDROXYBUTYRATE (CAS# ); (M+NA)+
2-Hydroxybutyric acid
ME195884
11266
-
1.493
104.0469
CHOLINE (CAS# 62-49-7); M+
Choline
ME195990
305
-
0.68
104.1066
SERINE (CAS# 56-45-1); (M+H)+
Serine
ME196287
617
-
1.016
105.0419
CREATININE (CAS# 60-27-5); (M+NA)+
Creatinine
ME196011
588
-
0.706
113.0585
CREATININE (CAS# 60-27-5); (M+H)+
Creatinine
ME196010
588
-
0.723
113.0587
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# ); (2M+H)+
-
ME196012
71309782
-
0.731
114.0615
CREATININE-(GUANIDINO-13C) [ISTD] (CAS# ); (M+NA)+
-
ME196015
71309782
-
0.69
114.0618
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
N-ACETYLGLYCINE (CAS# 543-24-8); (M+NA)+
N-Acetylglycine
ME196196
1097
-
0.939
117.0423
INDOLE (CAS# 120-72-9); (2M+NA)+
Indole
ME196099
798
-
6.541
117.0573
VALINE (CAS# 72-18-4); (M+NA)+
Valine
ME196335
6287
-
0.604
117.0783
BETAINE (CAS# 107-43-7); (M+NA)+
Betaine
ME195970
247
-
0.587
117.0785
5-AMINOPENTANOATE (CAS# 660-88-8); (M+H)+
5-Aminopentanoic acid
ME195936
138
-
0.802
117.0788
NORVALINE (CAS# 6600-40-4); (M+H)+
Norvaline
ME196223
65098
-
0.912
117.0788
VALINE (CAS# 72-18-4); (M+H)+
Valine
ME196334
6287
-
0.912
117.0788
BETAINE (CAS# 107-43-7); (M+H)+
Betaine
ME195969
247
-
0.768
117.0789
NORVALINE (CAS# 6600-40-4); M+[-CO2H]
Norvaline
ME196224
65098
-
0.912
117.0796
THREONINE (CAS# 72-19-5); (M+H)+[-H2O]
Threonine
ME196311
6288
-
1
119.0579
L-ALLOTHREONINE (CAS# 28954-12-3); (M+H)+[-H2O]
Allothreonine
ME196114
99289
-
0.909
119.0586
HOMOSERINE (CAS# 672-15-1); (M+H)+
Homoserine
ME196091
12647
-
0.659
119.0594
L-ALLOTHREONINE (CAS# 28954-12-3); (M+H)+
Allothreonine
ME196113
99289
-
0.659
119.0594
PURINE (CAS# 120-73-0); (M+NA)+
Purine
ME196265
1044
-
1.34
120.0427
PURINE (CAS# 120-73-0); (M+H)+
Purine
ME196264
1044
-
1.499
120.0434
3-HYDROXYBENZALDEHYDE (CAS# 100-83-4); (M+H)+[-H2O...
3-Hydroxybenzaldehyde
ME195904
101
-
4.846
122.0371
NICOTINAMIDE (CAS# 98-92-0); (M+H)+
Niacinamide
ME196214
936
-
1.148
122.0477
ERYTHRITOL (CAS# 149-32-6); (M+NA)+
Erythritol
ME196047
222285
-
0.758
122.0586
4-METHYLCATECHOL (CAS# 452-86-8); (M+H)+
4-Methylcatechol
ME195927
9958
-
2.361
124.052
TAURINE (CAS# 107-35-7); (M+NA)+
Taurine
ME196301
1123
-
0.773
125.0139
TAURINE (CAS# 107-35-7); (M+H)+
Taurine
ME196300
1123
-
0.814
125.0149
(2-AMINOETHYL)PHOSPHONATE (CAS# 2041-14-7); (M+H)+
Ciliatine
ME195859
339
-
1.038
125.0231
N-ETHYLMALEIMIDE (CAS# 128-53-0); (M+H)+
N-Ethylmaleimide
ME196203
4362
-
3.437
125.0468
THYMINE (CAS# 65-71-4); (M+H)+
Thymine
ME196313
1135
-
1.838
126.0418
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
FLUCYTOSINE (CAS# 2022-85-7); (M+H)+
Flucytosine
ME196053
3366
-
0.666
129.0348
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
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
2-METHYLMALEATE (CAS# 498-23-7); (M+H)+
Citraconic acid
ME195887
643798
-
2.594
130.0263
4-METHYL-2-OXOVALERIC ACID (CAS# 816-66-0); (M+NA)...
Ketoleucine
ME195926
70
-
4.6
130.063
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+NA)+
N-Acetylalanine
ME196187
88064
-
1.464
131.058
4-HYDROXY-L-PROLINE (CAS# 2584-71-6); (M+H)+
cis-4-Hydroxyproline
ME195924
440015
-
0.706
131.0588
5-AMINOLEVULINATE (CAS# 106-60-5); (M+H)+
5-Amino-levulinic acid
ME195934
137
-
0.706
131.0588
TRANS-4-HYDROXYPROLINE (CAS# 51-35-4); (M+H)+
trans-4-Hydroxyproline
ME196316
5810
-
0.706
131.0588
N-ACETYL-L-ALANINE (CAS# 97-69-8); (M+H)+[-H2O]
N-Acetylalanine
ME196186
88064
-
1.279
131.0591
5-AMINOLEVULINATE (CAS# 106-60-5); (M+NA)+
5-Amino-levulinic acid
ME195935
137
-
0.69
131.0593
CREATINE (CAS# 57-00-1); (M+H)+
Creatine
ME196009
586
-
0.704
131.0691
ISOLEUCINE (CAS# 73-32-5); (M+NA)+
Isoleucine
ME196108
6306
-
1.631
131.0936
LEUCINE (CAS# 328-39-2); (M+NA)+
Leucine
ME196135
6106
-
1.63
131.0936
ISOLEUCINE (CAS# 73-32-5); (M+H)+
Isoleucine
ME196107
6306
-
1.567
131.0946
LEUCINE (CAS# 328-39-2); (M+H)+
Leucine
ME196134
6106
-
1.621
131.0946
NORLEUCINE (CAS# 327-57-1); (M+H)+
Norleucine
ME196220
21236
-
1.629
131.0946
GLUTARATE (CAS# 110-94-1); (M+NA)+
Glutaric acid
ME196068
743
-
2.064
132.0416
ETHYLMALONIC ACID (CAS# 601-75-2); (M+NA)+
Ethylmalonic acid
ME196052
11756
-
3.009
132.0421
ASPARAGINE (CAS# 70-47-3); (M+NA)+
Asparagine
ME195964
6267
-
0.882
132.0526
3-UREIDOPROPIONIC ACID (CAS# 462-88-4); (M+H)+
Ureidopropionic acid
ME195913
111
-
0.933
132.0541
D-ORNITHINE (CAS# 348-66-3); (M+H)+[-H2O]
D-Ornithine
ME196024
6262
-
0.552
132.0895
D-ORNITHINE (CAS# 348-66-3); (M+H)+
D-Ornithine
ME196023
6262
-
0.555
132.0897
L-ORNITHINE (CAS# 70-26-8); (M+H)+
Ornithine
ME196126
6262
-
0.555
132.0897
N-NITROSODIETHANOLAMINE (CAS# 1116-54-7); (M+NA)+
N-Nitrosodiethanolamine
ME196211
14223
-
1.087
134.0678
HOMOCYSTEINE (CAS# 454-29-5); (M+H)+
Homocysteine
ME196087
91552
-
0.679
135.0356
VITAMIN B12 (CAS# 68-19-9); (M+2NA)+2
Vitamin B12
ME196336
118701016
-
6.996
1354.5581
HYPOXANTHINE (CAS# 68-94-0); (M+NA)+
Hypoxanthine
ME196095
790
-
1.132
136.0382
HYPOXANTHINE (CAS# 68-94-0); (M+H)+
Hypoxanthine
ME196094
790
-
1.131
136.0386
N-METHYLNICOTINATE (CAS# 535-83-1); (M+H)+
Trigonelline
ME196209
5570
-
0.71
137.0464
4-AMINOBENZOATE (CAS# 150-13-0); (M+H)+
p-Aminobenzoic acid
ME195921
978
-
2.838
137.0467
1-METHYLNICOTINAMIDE (CAS# ); M+
1-Methyl nicotinamide
ME195863
457
-
0.659
137.0701
TYRAMINE (CAS# 51-67-2); (M+H)+
Tyramine
ME196323
5610
-
1.075
137.0831
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
ETHANOLAMINE PHOSPHATE (CAS# 1071-23-4); (M+H)+
Phosphoethanolamine
ME196051
1015
-
1.033
141.0191
L-HISTIDINOL (CAS# 4836-52-6); (M+H)+
L-Histidinol
ME196123
165271
-
0.394
141.0907
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
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
3-DEHYDROXYCARNITINE (CAS# 407-64-7); (M+H)+
3-Dehydroxycarnitine
ME195899
725
-
0.706
145.1089
SPERMIDINE (CAS# 124-20-9); (M+H)+
Spermidine
ME196292
1102
-
0.575
145.157
2-METHYLGLUTARIC ACID (CAS# 18069-17-5); (M+H)+[-H...
2-Methylglutaric acid
ME195885
12046
-
3.759
146.0567
3-METHYGLUTARIC ACID (CAS# 626-51-7); (M+H)+[-H2O]
Methylglutaric acid
ME195907
12284
-
3.816
146.0567
MONO-METHYL GLUTARATE (CAS# 1501-27-5); (M+H)+[-H2...
Monomethyl glutaric acid
ME196166
73917
-
3.793
146.0567
2-METHYLGLUTARIC ACID (CAS# 18069-17-5); (M+NA)+
2-Methylglutaric acid
ME195886
12046
-
3.57
146.0578
3-METHYGLUTARIC ACID (CAS# 626-51-7); (M+NA)+
Methylglutaric acid
ME195908
12284
-
3.57
146.0578
ADIPIC ACID (CAS# 124-04-9 ); (M+NA)+
Adipic acid
ME195953
196
-
3.57
146.0578
MONO-METHYL GLUTARATE (CAS# 1501-27-5); (M+NA)+
Monomethyl glutaric acid
ME196167
73917
-
3.57
146.0578
GLUTAMINE (CAS# 56-85-9); (M+NA)+
Glutamine
ME196067
5961
-
0.688
146.0684
DIMETHYLBENZIMIDAZOLE (CAS# 582-60-5); (M+H)+
Dimethylbenzimidazole
ME196039
675
-
6.051
146.0847
LYSINE (CAS# 56-87-1); (M+NA)+
Lysine
ME196147
5962
-
0.57
146.1044
LYSINE (CAS# 56-87-1); (M+H)+
Lysine
ME196146
5962
-
0.555
146.1055
GLUTAMATE (CAS# 56-86-0); (M+H)+[-H2O]
Glutamic acid
ME196066
33032
-
0.662
147.0522
N-ACETYL-DL-SERINE (CAS# 97-14-3); (M+NA)+
N-Acetylserine
ME196184
65249
-
0.783
147.0522
N-METHYL-D-ASPARTIC ACID (CAS# 6384-92-5); (M+NA)+
N-Methyl-D-aspartic acid
ME196205
4376
-
0.755
147.0522
GLUTAMATE (CAS# 56-86-0); (M+H)+
Glutamic acid
ME196065
33032
-
0.681
147.053
N-ACETYL-DL-SERINE (CAS# 97-14-3); (M+H)+
N-Acetylserine
ME196182
65249
-
0.696
147.053
N-METHYL-D-ASPARTIC ACID (CAS# 6384-92-5); (M+H)+
N-Methyl-D-aspartic acid
ME196204
4376
-
0.691
147.053
N-ACETYL-DL-SERINE (CAS# 97-14-3); (M+H)+[-H2O]
N-Acetylserine
ME196183
65249
-
0.875
147.0534
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
MEVALONIC ACID (CAS# 674-26-0); (M+NA)+[-H2O]
Mevalonic acid
ME196165
439230
-
1.78
148.0737
MEVALONIC ACID (CAS# 674-26-0); (M+NA)+
Mevalonic acid
ME196164
439230
-
1.736
148.0738
METHIONINE (CAS# 63-68-3); (M+H)+
Methionine
ME196159
6137
-
1.016
149.0511
3-METHYLADENINE (CAS# 5142-23-4); (M+H)+
3-Methyladenine
ME195910
1673
-
0.727
149.069
D-LYXOSE (CAS# 1114-34-7); (M+NA)+
Lyxose
ME196022
65550
-
0.735
150.0515
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
RIBOSE (CAS# 50-69-1); (M+NA)+
Ribose
ME196279
5779
-
0.793
150.0516
XYLOSE (CAS# 58-86-6); (2M+NA)+[-H2O]
Xylose
ME196341
135191
-
2.572
150.0531
GUANINE (CAS# 73-40-5); (M+H)+
Guanine
ME196081
764
-
1.013
151.0485
GUANINE (CAS# 73-40-5); (2M+NA)+
Guanine
ME196080
764
-
0.933
151.0495
GUANINE (CAS# 73-40-5); (M+NA)+
Guanine
ME196082
764
-
0.979
151.0501
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
XANTHINE (CAS# 69-89-6); (M+H)+
Xanthine
ME196337
1188
-
1.305
152.0325
3-HYDROXYPHENYLACETATE (CAS# 621-37-4); (M+H)+
3-Hydroxyphenylacetic acid
ME195905
12122
-
7.577
152.046
RESORCINOL MONOACETATE (CAS# 102-29-4); (M+H)+
Resorcinol monoacetate
ME196277
5055
-
7.577
152.046
4-HYDROXYPHENYLACETATE (CAS# 156-38-7); (M+H)+
4-Hydroxyphenyl acetate
ME195925
127
-
4.543
152.0473
MANDELIC ACID (CAS# 611-71-2); (M+H)+[-H2O]
Mandelic acid
ME196152
11914
-
5.354
152.0479
3-AMINO-4-HYDROXYBENZOIC ACID (CAS# 1571-72-8); (M...
3-Amino-4-hydroxybenzoic acid
ME195897
65083
-
0.951
153.0426
AHBA (CAS# 76045-71-1); (M+H)+
3-Amino-5-hydroxybenzoic acid
ME195954
127115
-
0.951
153.0426
3-HYDROXYANTHRANILATE (CAS# 548-93-6); (M+H)+
3-Hydroxyanthranilic acid
ME195903
86
-
2.948
153.0432
L-HISTIDINE (CAS# 71-00-1); (M+NA)+
Histidine
ME196122
6274
-
0.643
155.0687
L-HISTIDINE (CAS# 71-00-1); (M+H)+
Histidine
ME196121
6274
-
0.713
155.0692
NONANOATE (CAS# 112-05-0); (M+NA)+
Pelargonic acid
ME196217
8158
-
13.241
158.1305
INDOLE-3-ACETALDEHYDE (CAS# 2591-98-2); (M+H)+
Indoleacetaldehyde
ME196100
800
-
1.847
159.0686
3-METHYLADIPIC ACID (CAS# 3058-01-3); (M+NA)+
3-Methyladipic acid
ME195911
12292
-
5.716
160.0726
6-CARBOXYHEXANOATE (CAS# 111-16-0); (M+NA)+
Pimelic acid
ME195947
385
-
5.72
160.0726
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
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
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
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
NICOTINE (CAS# 54-11-5); (M+H)+
Nicotine
ME196216
157672
-
1.324
162.1144
PTERIN (CAS# 2236-60-4); (M+H)+
Pterin
ME196263
73000
-
1.862
163.0483
2-DEOXY-D-GLUCOSE (CAS# 154-17-6); (M+NA)+
2-Deoxy-glucose
ME195883
439268
-
0.721
164.068
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
PHTHALATE (CAS# 88-99-3); (M+NA)+
Phthalic acid
ME196249
1017
-
4.849
166.0271
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
3-METHYLXANTHINE (CAS# 1076-22-8); (M+H)+
3-Methylxanthine
ME195912
70639
-
2.262
166.0501
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
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
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
HOMOGENTISATE (CAS# 451-13-8); (M+H)+
Homogentisic acid
ME196088
780
-
2.282
168.0406
HOMOGENTISATE (CAS# 451-13-8); (M+NA)+
Homogentisic acid
ME196090
780
-
2.299
168.0409
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+H)+[-...
3-Hydroxymandelic acid
ME196148
86957
-
2.184
168.0411
HOMOGENTISATE (CAS# 451-13-8); (M+H)+[-H2O]
Homogentisic acid
ME196089
780
-
2.312
168.0418
M-HYDROXYMANDELIC ACID (CAS# 17119-15-2); (M+NA)+[...
3-Hydroxymandelic acid
ME196150
86957
-
1.748
168.0431
PYRIDOXAMINE (CAS# 85-87-0); (M+H)+
Pyridoxamine
ME196268
1052
-
0.573
168.0882
NORADRENALINE (CAS# 51-41-2); (M+H)+[-H2O]
Xi-Norepinephrine
ME196219
951
-
0.734
169.0729
PYRIDOXINE (CAS# 65-23-6); (M+H)+
Pyridoxine
ME196269
1054
-
0.922
169.0739
NORADRENALINE (CAS# 51-41-2); (M+H)+
Xi-Norepinephrine
ME196218
951
-
0.785
169.0754
N(PAI)-METHYL-L-HISTIDINE (CAS# 332-80-9); (M+NA)+
3-Methylhistidine
ME196170
64969
-
0.63
169.084
N(PAI)-METHYL-L-HISTIDINE (CAS# 332-80-9); (M+H)+
3-Methylhistidine
ME196169
64969
-
0.65
169.0845
DECANOATE (CAS# 334-48-5); (2M+NA)+
Capric acid
ME196028
2969
-
22.842
172.1454
DECANOATE (CAS# 334-48-5); (2M+H)+
Capric acid
ME196027
2969
-
22.865
172.1479
4-QUINOLINECARBOXYLIC ACID (CAS# 486-74-8); (M+H)+
4-Quinolinecarboxylic acid
ME195931
10243
-
4.95
173.0468
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
SHIKIMATE (CAS# 138-59-0); (M+H)+[-H2O]
Shikimic acid
ME196290
8742
-
1.06
174.0525
INDOLE-3-ACETAMIDE (CAS# 879-37-8); (M+NA)+
1H-Indole-3-acetamide
ME196101
397
-
5.778
174.08
SUBERIC ACID (CAS# 505-48-6); (M+NA)+
Suberic acid
ME196298
10457
-
8.309
174.0906
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
N-METHYLTRYPTAMINE (CAS# 61-49-4); (M+NA)+
N-Methyltryptamine
ME196210
6088
-
4.212
174.1142
N-ACETYL-L-ASPARTIC ACID (CAS# 997-55-7); (M+NA)+
N-Acetylaspartic acid
ME196189
65065
-
1.009
175.0485
N-ACETYL-L-ASPARTIC ACID (CAS# 997-55-7); (M+H)+[-...
N-Acetylaspartic acid
ME196188
65065
-
0.998
175.0495
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
CITRULLINE (CAS# 372-75-8); (M+NA)+
Citrulline
ME195999
9750
-
0.663
175.0942
CITRULLINE (CAS# 372-75-8); (M+H)+
Citrulline
ME195998
9750
-
0.668
175.0968
DEBRISOQUIN (CAS# 581-88-4); (M+H)+
Debrisoquine
ME196026
2966
-
5.146
175.1106
ASCORBATE (CAS# 50-81-7); (M+H)+[-H2O]
Vitamin C
ME195963
54670067
-
1.132
176.0307
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
SEROTONIN (CAS# 50-67-9); (M+NA)+
Serotonin
ME196289
5202
-
1.643
176.0939
(-)-COTININE (CAS# 486-56-6); (M+H)+
Cotinine
ME195857
854019
-
1.796
176.0953
SEROTONIN (CAS# 50-67-9); (M+H)+
Serotonin
ME196288
5202
-
1.796
176.0953
L-ARGININE-(GUANIDINEIMINO-15N2) [ISTD] (CAS# ); (...
-
ME196117
16217579
-
0.663
176.1041
HIPPURATE (CAS# 495-69-2); (M+NA)+
Hippuric acid
ME196086
464
-
4.845
179.0586
HIPPURATE (CAS# 495-69-2); (M+H)+
Hippuric acid
ME196085
464
-
4.846
179.0598
(-)-SALSOLINOL (CAS# 27740-96-1); (M+H)+
Salsolinol
ME195858
7157331
-
1.309
179.0933
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
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
FRUCTOSE (CAS# 57-48-7); (M+NA)+
Fructose
ME196054
5984
-
0.702
180.0627
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
D-PSICOSE (CAS# 551-68-8); (2M+NA)+[-H2O]
Psicose
ME196025
90008
-
0.719
180.0628
MYO-INOSITOL (CAS# 87-89-8); (M+NA)+
Myo-inositol
ME196168
892
-
0.674
180.063
GLUCOSE (CAS# 50-99-7); (2M+NA)+
Glucose
ME196061
5793
-
0.678
180.0631
THEOBROMINE (CAS# 83-67-0); (M+NA)+
Theobromine
ME196307
5429
-
3.605
180.0635
THEOPHYLLINE (CAS# 58-55-9); (M+NA)+
Theophylline
ME196309
2153
-
4.461
180.0646
THEOBROMINE (CAS# 83-67-0); (M+H)+
Theobromine
ME196306
5429
-
3.525
180.0648
PARAXANTHINE (CAS# 611-59-6); (M+NA)+
Paraxanthine
ME196244
4687
-
4.475
180.0649
THEOPHYLLINE (CAS# 58-55-9); (M+H)+
Theophylline
ME196308
2153
-
4.333
180.065
PARAXANTHINE (CAS# 611-59-6); (M+H)+
Paraxanthine
ME196243
4687
-
4.446
180.0651
TYROSINE (CAS# 60-18-4); (M+NA)+
Tyrosine
ME196325
6057
-
1.356
181.073
TYROSINE (CAS# 60-18-4); (M+H)+
Tyrosine
ME196324
6057
-
1.353
181.0737
1-METHYLURIC ACID (CAS# 708-79-2); (M+H)+
1-Methyluric acid
ME195864
69726
-
2.221
182.0432
3-(4-HYDROXYPHENYL)LACTATE (CAS# 6482-98-0); (M+H)...
Hydroxyphenyllactic acid
ME195895
9378
-
3.939
182.0563
HOMOVANILLATE (CAS# 306-08-1); (M+H)+
Homovanillic acid
ME196092
1738
-
5.697
182.0563
3-(4-HYDROXYPHENYL)LACTATE (CAS# 6482-98-0); (M+NA...
Hydroxyphenyllactic acid
ME195896
9378
-
3.845
182.0566
GALACTITOL OR DULCITOL (CAS# 608-66-2); (M+NA)+
Galactitol
ME196055
11850
-
0.711
182.0775
MANNITOL (CAS# 69-65-8); (M+NA)+
Mannitol
ME196153
6251
-
0.711
182.0775
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+H)+
4-Pyridoxic acid
ME195928
6723
-
1.918
183.0533
4-PYRIDOXATE (CAS# 82-82-6); (M+NA)+
4-Pyridoxic acid
ME195930
6723
-
1.912
183.0541
EPINEPHRINE (CAS# 51-43-4); (M+H)+
Epinephrine
ME196045
5816
-
0.793
183.088
NORMETANEPHRINE (CAS# 0); (M+H)+[-H2O]
Normetanephrine
ME196222
688100
-
2.62
183.0883
EPINEPHRINE (CAS# 51-43-4); (M+H)+[-H2O]
Epinephrine
ME196046
5816
-
0.895
183.0884
NORMETANEPHRINE (CAS# 0); (M+H)+
Normetanephrine
ME196221
688100
-
2.575
183.089
4-HYDROXY-3-METHOXYPHENYLGLYCOL (CAS# 67423-45-4);...
Vanylglycol
ME195923
688030
-
2.593
184.0732
O-PHOSPHO-DL-SERINE (CAS# 17885-08-4); (2M+H)+
DL-O-Phosphoserine
ME196226
106
-
0.73
185.0093
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
N-ALPHA-ACETYL-L-LYSINE (CAS# 1946-82-3); (M+H)+
N(2)-Acetyllysine
ME196198
92907
-
0.919
188.1156
10-HYDROXYDECANOATE (CAS# 1679-53-4); (M+NA)+
10-Hydroxydecanoic acid
ME195870
6991989
-
13.425
188.142
4-HYDROXY-2-QUINOLINECARBOXYLIC ACID-KRYNURENIC AC...
Kynurenic acid
ME195922
3845
-
4.967
189.043
N-ACETYL-DL-GLUTAMIC ACID (CAS# 5817-08-3); (M+NA)...
N-Acetylglutamic acid
ME196178
185
-
1.293
189.0619
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
METHYL INDOLE-3-ACETATE (CAS# 1912-33-0); (M+NA)+
Indole-3-methyl acetate
ME196162
74706
-
11.74
189.0794
METHYL INDOLE-3-ACETATE (CAS# 1912-33-0); (M+H)+
Indole-3-methyl acetate
ME196161
74706
-
11.745
189.0802
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
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+H)+
N-Acetylmethionine
ME196179
448580
-
4.092
191.0607
N-ACETYL-DL-METHIONINE (CAS# 1115-47-5); (M+NA)+
N-Acetylmethionine
ME196181
448580
-
4.098
191.0616
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
QUINATE (CAS# 77-95-2); (M+NA)+
Quinic acid
ME196271
6508
-
0.746
192.0629
QUINATE (CAS# 77-95-2); (M+H)+
Quinic acid
ME196270
6508
-
1.147
192.0638
GALACTURONIC ACID (CAS# 91510-62-2); (2M+NA)+
Galacturonic acid
ME196056
84740
-
0.564
194.0411
GLUCURONIC ACID (CAS# 6556-12-3); (M+NA)+
Glucuronic acid
ME196064
94715
-
0.967
194.0411
METHYL BETA-D-GALACTOSIDE (CAS# 1824-94-8); (M+NA)...
Methyl beta-D-galactoside
ME196160
94214
-
0.886
194.0783
PINITOL (CAS# 10284-63-6); (M+NA)+
Pinitol
ME196250
164619
-
0.888
194.0783
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
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
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
SELENOMETHIONINE (CAS# 1464-42-2); (M+H)+
Selenomethionine
ME196286
105024
-
1.501
196.9972
(S)-2-AMINO-3-(3-HYDOXY-4-OXO-4H-PYRIDIN-1-YL)PROP...
Mimosine
ME195860
440473
-
0.892
198.0656
GUAIFENESIN (CAS# 93-14-1); (M+NA)+
Guaifenesin
ME196079
3516
-
7.792
198.0904
SEBACIC ACID (CAS# 111-20-6); (M+NA)+
Sebacic acid
ME196284
5192
-
13.031
202.1216
SPERMINE (CAS# 71-44-3); (M+H)+
Spermine
ME196293
1103
-
0.776
202.2143
O-ACETYLCARNITINE (CAS# 461-77-8); (M+H)+
CAR 2:0
ME196225
18230
-
0.962
203.1157
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
XANTHURENIC ACID (CAS# 59-00-7); (M+H)+
Xanthurenic acid
ME196340
5699
-
4.575
205.0386
LIPOAMIDE (CAS# 940-69-2); (M+NA)+
Lipoamide
ME196140
863
-
10.469
205.0586
L-TRYPTOPHAN-15N2 [ISTD] (CAS# ); (M+H)+
Tryptophan
ME196127
16217285
-
3.663
206.085
IBUPROFEN (CAS# 15687-27-1); (M+NA)+
Ibuprofen
ME196096
114864
-
18.944
206.1296
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
LANTHIONINE (CAS# 3183-08-2); (M+NA)+
Lanthionine
ME196131
102950
-
0.73
208.0538
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
N-BENZYLOXYCARBONYLGLYCINE (CAS# 1138-80-3); (M+NA...
N-Benzyloxycarbonylglycine
ME196200
14349
-
8.662
209.0691
N-BENZYLOXYCARBONYLGLYCINE (CAS# 1138-80-3); (M+H)...
N-Benzyloxycarbonylglycine
ME196199
14349
-
8.999
209.0703
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
3-METHOXYTYROSINE (CAS# 4214-13-5); (M+H)+
3-Methoxytyrosine
ME195906
9307
-
2.037
211.0849
DETHIOBIOTIN (CAS# 533-48-2); (M+H)+[-H2O]
Dethiobiotin
ME196035
445027
-
8.104
214.1317
ABRINE (CAS# 526-31-8); (M+H)+
N(alpha)-Methyl-tryptophan
ME195948
160511
-
3.571
218.1036
DI-TERT-BUTYL DICARBONATE (CAS# 24424-99-5); (M+NA...
Tert-butoxycarbonyl anhydride
ME196037
90495
-
5.688
218.1154
O-SUCCINYL-L-HOMOSERINE (CAS# 1492-23-5); (M+H)+
o-Succinylhomoserine
ME196227
439406
-
0.622
219.0728
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
CIS-ZEATIN (CAS# 1637-39-4); (M+H)+
cis-Zeatin
ME195994
688597
-
3.941
219.1124
ZEATIN [ISTD] (CAS# 13114-27-7); (M+H)+
trans-Zeatin
ME196342
449093
-
3.941
219.1124
5-HYDROXYTRYPTOPHAN (CAS# 4350-09-8); (M+H)+
5-Hydroxy-tryptophan
ME195941
439280
-
1.81
220.0845
N-ACETYL-D-GLUCOSAMINE (CAS# 7512-17-6); (M+H)+
N-Acetylglucosamine
ME196171
446101
-
1.009
221.0902
N-ACETYL-D-MANNOSAMINE (CAS# 3615-17-6); (M+H)+
N-Acetyl-mannosamine
ME196173
53477792
-
1.009
221.0902
N-ACETYLGALACTOSAMINE (CAS# 1811-31-0); (M+H)+
N-Acetylgalactosamine
ME196194
35717
-
1.009
221.0902
N-ACETYL-D-GLUCOSAMINE (CAS# 7512-17-6); (M+NA)+
N-Acetylglucosamine
ME196172
446101
-
0.717
221.0916
N-ACETYL-D-MANNOSAMINE (CAS# 3615-17-6); (M+NA)+
N-Acetyl-mannosamine
ME196174
53477792
-
0.717
221.0916
N-ACETYLGALACTOSAMINE (CAS# 1811-31-0); (M+NA)+
N-Acetylgalactosamine
ME196195
35717
-
0.717
221.0916
CYSTATHIONINE (CAS# 56-88-2); (M+H)+[-H2O]
Cystathionine
ME196016
439258
-
0.707
222.0687
METHYL JASMONATE (CAS# 1211-29-6); (M+NA)+
Methyl jasmonate
ME196163
5281929
-
15.993
224.1406
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
DEOXYURIDINE (CAS# 951-78-0); (M+NA)+
Deoxyuridine
ME196033
13712
-
1.677
228.076
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
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
MELATONIN (CAS# 73-31-4); (M+NA)+
Melatonin
ME196156
896
-
8.508
232.123
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
CYSTINE (CAS# 56-89-3); (M+NA)+
Cystine
ME196018
6857538
-
0.703
240.0218
CYSTINE (CAS# 56-89-3); (M+H)+
Cystine
ME196017
6857538
-
0.731
240.0219
2-(DIPHENYLMETHOXY)-N-METHYLETHYLAMINE (CAS# 17471...
-
ME195882
40791
-
11.101
241.1458
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
CYTIDINE (CAS# 65-46-3); (M+H)+
Cytidine
ME196019
6175
-
0.891
243.0852
(+)-3-HYDROXYMORPHINAN (CAS# 15676-23-0); (M+H)+
-
ME195856
5463854
-
7.625
243.1611
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
N-ACETYL-D-TRYPTOPHAN (CAS# 2280-01-5); (M+H)+
N-Acetyl-D-tryptophan
ME196175
439917
-
8.015
246.1019
BOC-LYS-OH (CAS# 13734-28-6); (M+H)+
-
ME195977
2733284
-
4.724
246.1597
SELENOCYSTAMINE (CAS# 2697-61-2); (M+H)+
Selenocystamine
ME196285
115119
-
0.555
247.9344
DEOXYADENOSINE (CAS# 16373-93-6); (M+NA)+
Deoxyadenosine
ME196029
13730
-
1.571
251.1033
SN-GLYCERO-3-PHOSPHOCHOLINE (CAS# 28319-77-9); (M+...
sn-Glycero-3-phosphocholine
ME196291
439285
-
0.686
257.1025
LEVORPHANOL (CAS# 77-07-6); (M+H)+
Levorphanol
ME196139
5359272
-
7.4
257.1772
GLUCOSAMINE 6-PHOSPHATE (CAS# 3616-42-0); (M+H)+
Glucosamine 6-phosphate
ME196060
439217
-
0.734
259.046
D-GLUCOSE 6-PHOSPHATE (CAS# 56-73-5); (M+NA)+
Glucose 6-phosphate
ME196021
5958
-
1.05
260.0299
MANNOSE-6-PHOSPHATE (CAS# 3672-15-9); (M+NA)+
Mannose 6-phosphate
ME196154
439198
-
1.04
260.0306
THIAMIN (CAS# 59-43-8); M+
Thiamine
ME196310
1130
-
0.659
265.1097
2'-DEOXYGUANOSINE (CAS# 961-07-9); (M+H)+
Deoxyguanosine
ME195881
187790
-
1.803
267.0977
ADENOSINE (CAS# 58-61-7); (M+H)+
Adenosine
ME195952
60961
-
1.806
267.0977
INOSINE (CAS# 58-63-9); (M+NA)+
Inosine
ME196106
6021
-
1.821
268.0812
INOSINE (CAS# 58-63-9); (M+H)+
Inosine
ME196105
6021
-
1.829
268.0814
DIETHYLSTILBESTROL (CAS# 56-53-1); (M+NA)+
Diethylstilbestrol
ME196038
448537
-
18.824
268.1449
ESTRONE (CAS# 53-16-7); (M+NA)+
Estrone
ME196050
5870
-
16.063
270.1594
ESTRONE (CAS# 53-16-7); (M+H)+
Estrone
ME196049
5870
-
16.531
270.1598
DEXTROMETHORPHAN (CAS# 125-69-9); (M+H)+
Dextromethorphan
ME196036
5360696
-
11.234
271.1938
ESTRADIOL-17BETA (CAS# 50-28-2); (M+NA)+
beta-Estradiol
ME196048
5757
-
16.416
272.1792
ALPHA-LINOLENIC ACID (CAS# 463-40-1); (M+NA)+
alpha-Linolenic acid
ME195958
5280934
-
22.869
278.222
GAMMA-LINOLENIC ACID (CAS# 506-26-3); (M+NA)+
gamma-Linolenic acid
ME196058
5280933
-
22.869
278.222
1-METHYLADENOSINE (CAS# 15763-06-1); (M+H)+
1-Methyladenosine
ME195862
27476
-
3.039
281.1122
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
OLEIC ACID (CAS# 112-80-1); (M+H)+
Oleic acid
ME196230
445639
-
22.567
282.2537
CIS-VACCENIC ACID (CAS# 506-17-2); (M+H)+
cis-Vaccenic acid
ME195992
5282761
-
22.95
282.255
ELAIDIC ACID (CAS# 112-79-8); (M+H)+
Elaidic acid
ME196042
637517
-
22.95
282.255
OLEIC ACID (CAS# 112-80-1); (M+NA)+
Oleic acid
ME196231
445639
-
22.565
282.2552
ELAIDIC ACID (CAS# 112-79-8); (M+NA)+
Elaidic acid
ME196043
637517
-
22.783
282.2567
CIS-VACCENIC ACID (CAS# 506-17-2); (M+K)+
cis-Vaccenic acid
ME195993
5282761
-
22.782
282.2578
GUANOSINE (CAS# 118-00-3); (M+NA)+
Guanosine
ME196084
6802
-
1.834
283.0918
GUANOSINE (CAS# 118-00-3); (M+H)+
Guanosine
ME196083
6802
-
1.828
283.0921
XANTHOSINE (CAS# 146-80-5); (M+NA)+
Xanthosine
ME196339
64959
-
2.309
284.0757
XANTHOSINE (CAS# 146-80-5); (M+H)+
Xanthosine
ME196338
64959
-
2.32
284.0782
3BETA-HYDROXYANDROST-5-EN-17-ONE (CAS# 53-43-0); (...
Dehydroepiandrosterone
ME195915
5881
-
16.908
288.2111
ANDROSTERONE (CAS# 53-41-8); (M+NA)+
Androsterone
ME195960
5879
-
19.893
290.223
EPIANDROSTERONE (CAS# 481-29-8); (M+H)+[-H2O]
Epiandrosterone
ME196044
441302
-
18.076
290.2239
EDTA (CAS# 60-00-4); (M+NA)+
Edetic acid
ME196041
6049
-
1.227
292.0907
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
SPHINGANINE (CAS# 764-22-7); (M+NA)+
Sphinganine
ME196295
644260
-
21.017
301.2962
SPHINGANINE (CAS# 764-22-7); (M+H)+
Sphinganine
ME196294
644260
-
20.882
301.2968
TRIBUTYRIN (CAS# 60-01-5); (M+NA)+
TG 4:0/4:0/4:0
ME196317
6050
-
19.332
302.1745
RAC-GLYCEROL 1-MYRISTATE (CAS# 75685-84-6); (M+NA)...
MG 14:0
ME196274
79050
-
22.184
302.2433
DUMP (CAS# 964-26-1); (M+K)+
dUMP
ME196040
65063
-
0.897
308.0397
N-ACETYLNEURAMINATE (CAS# 131-48-6); (M+NA)+
N-Acetylneuraminic acid
ME196197
439197
-
0.87
309.1056
ARACHIDIC ACID (CAS# 506-30-9); (M+NA)+
Arachidic acid
ME195962
10467
-
23.225
312.3058
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
MELANIN (CAS# 8049-97-6); (M+H)+
Melanin
ME196155
6325610
-
1.199
318.0625
3BETA-HYDROXY-5ALPHA-PREGNAN-20-ONE (CAS# 516-55-2...
3beta-Hydroxy-5alpha-pregnan-20-one
ME195914
92787
-
20.765
318.2587
3'-CMP (CAS# 63-37-6); (M+H)+
3'-CMP
ME195894
66535
-
0.955
323.0525
CMP (CAS# 63-37-6); (M+H)+
CMP
ME196000
6131
-
0.954
323.0525
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
17ALPHA-HYDROXYPROGESTERONE (CAS# 68-96-2); (M+NA)...
17alpha-Hydroxyprogesterone
ME195876
6238
-
17.805
330.2212
NICOTINAMIDE MONONUCLEOTIDE (CAS# 1094-61-7); (M+N...
Nicotinamide ribotide
ME196215
14180
-
0.618
334.0599
LEUKOTRIENE B4 (CAS# 71160-24-2); (M+H)+[-H2O]
LTB4
ME196137
5280492
-
20.793
336.2272
LEUKOTRIENE B4 (CAS# 71160-24-2); (M+H)+
LTB4
ME196136
5280492
-
20.659
336.2287
LEUKOTRIENE B4 (CAS# 71160-24-2); (M+NA)+
LTB4
ME196138
5280492
-
20.678
336.2304
BETA-MALTOSE (CAS# 69-79-4); (M+NA)+
Maltose
ME195968
439186
-
0.717
342.1155
CELLOBIOSE (CAS# 528-50-7); (M+NA)+
Cellobiose
ME195987
294
-
0.717
342.1155
LACTOSE (CAS# 63-42-3); (M+NA)+
Lactose
ME196129
440995
-
0.717
342.1155
MALTOSE (CAS# 69-79-4); (M+NA)+
Maltose
ME196151
439186
-
0.717
342.1155
MELIBIOSE (CAS# 585-99-9); (M+NA)+
Melibiose
ME196158
440658
-
0.717
342.1155
PALATINOSE (CAS# 343336-76-5); (M+NA)+
Palatinose
ME196238
439559
-
0.717
342.1155
SUCROSE (CAS# 57-50-1); (M+NA)+
Sucrose
ME196299
5988
-
0.717
342.1155
LACTOSE (CAS# 63-42-3); (M+K)+
Lactose
ME196128
440995
-
0.727
342.1167
MELIBIOSE (CAS# 585-99-9); (M+K)+
Melibiose
ME196157
440658
-
0.727
342.1167
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
OMEPRAZOLE (CAS# 73590-58-6); (M+H)+
Omeprazole
ME196232
4594
-
11.206
345.1155
GIBBERELLIC ACID [ISTD] (CAS# 77-06-5); (M+NA)+
Gibberellin A3
ME196059
6466
-
8.565
346.1433
11-DEOXYCORTISOL (CAS# 152-58-9); (M+NA)+
11-Deoxycortisol
ME195871
440707
-
15.538
346.212
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
PROSTAGLANDIN E2 (CAS# 363-24-6); (M+H)+[-H2O]
PGE2
ME196260
5280360
-
16.959
352.2235
PROSTAGLANDIN E2 (CAS# 363-24-6); (M+H)+
PGE2
ME196259
5280360
-
16.467
352.2245
PROSTAGLANDIN E2 (CAS# 363-24-6); (M+NA)+
PGE2
ME196261
5280360
-
16.753
352.2263
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
1-OLEOYL-RAC-GLYCEROL (CAS# 111-03-5); (M+H)+
MG 18:1
ME195867
5283468
-
22.736
356.2934
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
OMEPRAZOLE SULFONE (CAS# 88546-55-8); (2M+NA)+
Omeprazole sulfone
ME196233
145900
-
12.223
361.1102
5-HYDROXY OMEPRAZOLE (CAS# 92340-57-3); (M+H)+
5-Hydroxyomeprazole
ME195937
119560
-
12.387
361.1106
OMEPRAZOLE SULFONE (CAS# 88546-55-8); (M+H)+
Omeprazole sulfone
ME196234
145900
-
12.381
361.1106
5-HYDROXY OMEPRAZOLE (CAS# 92340-57-3); (M+NA)+
5-Hydroxyomeprazole
ME195938
119560
-
12.383
361.1109
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
3BETA-HYDROXYANDROST-5-EN-17-ONE 3-SULFATE (CAS# )...
Dehydroepiandrosterone sulfate
ME195916
12594
-
15.107
368.1646
THROMBOXANE B2 (CAS# 54397-85-2); (M+H)+[-H2O]
TXB2
ME196312
5283137
-
16.467
370.2351
RIBOFLAVIN (CAS# 83-88-5); (M+NA)+
Riboflavin
ME196278
493570
-
7.675
376.1396
LITHOCHOLIC ACID (CAS# 434-13-9); (M+NA)+
Lithocholic acid
ME196141
9903
-
22.413
376.2974
LORATADINE (CAS# 79794-75-5); (M+NA)+
Loratadine
ME196143
3957
-
17.855
382.1418
S-ADENOSYL-L-HOMOCYSTEINE (CAS# 979-92-0); (M+H)+
S-Adenosylhomocysteine
ME196280
439155
-
1.544
384.1212
DESMOSTEROL (CAS# 313-04-2); (M+H)+[-H2O]
Desmosterol
ME196034
439577
-
24.297
384.3395
5ALPHA-CHOLEST-7-EN-3BETA-OL (CAS# 80-99-9); (M+H)...
Lathosterol
ME195946
65728
-
24.612
386.3553
CHOLESTEROL (CAS# 57-88-5); (M+H)+[-H2O]
Cholesterol
ME195989
5997
-
24.612
386.3553
BIS(2-ETHYLHEXYL)PHTHALATE (CAS# 117-81-7); (M+NA)...
Bis(2-ethylhexyl)phthalate
ME195975
8343
-
23.128
390.2774
BIS(2-ETHYLHEXYL)PHTHALATE (CAS# 117-81-7); (M+H)+
Bis(2-ethylhexyl)phthalate
ME195974
8343
-
23.127
390.2804
DEOXYCHOLIC ACID (CAS# 83-44-3); (2M+NA)+
Deoxycholic acid
ME196030
222528
-
21.748
392.2897
DEOXYCHOLIC ACID (CAS# 83-44-3); (M+NA)+
Deoxycholic acid
ME196032
222528
-
21.731
392.2898
URSODIOL (CAS# 128-13-2); (M+NA)+
Ursodeoxycholic acid
ME196333
31401
-
21.731
392.2898
HYODEOXYCHOLATE (CAS# 83-49-8); (M+NA)+
Hyodeoxycholic acid
ME196093
5283820
-
20.128
392.291
DEOXYCHOLIC ACID (CAS# 83-44-3); (M+H)+
Deoxycholic acid
ME196031
222528
-
21.815
392.2915
PALMITOYLCARNITINE (CAS# 2364-67-2); (M+NA)+
CAR 16:0
ME196240
11953816
-
21.39
399.3347
PALMITOYLCARNITINE (CAS# 2364-67-2); (M+H)+
CAR 16:0
ME196239
11953816
-
21.39
399.3351
CALCIDIOL (CAS# 19356-17-3); (M+NA)+
25-Hydroxyvitamin D3
ME195984
5283731
-
22.798
400.332
CALCIDIOL (CAS# 19356-17-3); (M+H)+[-H2O]
25-Hydroxyvitamin D3
ME195983
5283731
-
22.433
400.3354
25-HYDROXYCHOLESTEROL (CAS# 2140-46-7); (M+H)+[-H2...
25-Hydroxycholesterol
ME195893
65094
-
22.858
402.3479
CORTISOL 21-ACETATE (CAS# 50-03-3); (M+H)+[-H2O]
Cortisol 21-acetate
ME196006
5744
-
16.005
404.218
CORTISOL 21-ACETATE (CAS# 50-03-3); (M+H)+
Cortisol 21-acetate
ME196005
5744
-
15.397
404.22
CHOLATE (CAS# 81-25-4); (M+NA)+
Cholic acid
ME195988
221493
-
20.356
408.2857
SQUALENE (CAS# 111-02-4); (M+K)+
Squalene
ME196296
5280370
-
24.365
410.3946
LANOSTEROL (CAS# 79-63-0); (M+NA)+
Lanosterol
ME196130
246983
-
23.364
426.3883
ALPHA-TOCOPHEROL (CAS# 59-02-9); (M+H)+
alpha-Tocopherol
ME195959
14985
-
24.519
430.3802
GLYCOLITHOCHOLATE (CAS# 474-74-8 ); (M+NA)+
Glycolithocholic acid
ME196078
115245
-
21.702
433.3167
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
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
LOPERAMIDE (CAS# 34552-83-5); (M+H)+
Loperamide
ME196142
3955
-
15.337
476.2245
18:0 LYSO-PE (CAS# 69747-55-3); (M+NA)+
LPE 18:0
ME195880
9547068
-
22.401
481.3162
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); (2M+H)+
LPE 18:0
ME195877
9547068
-
22.942
481.3195
18:0 LYSO-PE (CAS# 69747-55-3); (M+H)+
LPE 18:0
ME195879
9547068
-
22.769
481.3198
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
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
TAUROCHENODEOXYCHOLATE (CAS# 516-35-8); (M+NA)+
Taurochenodeoxycholic acid
ME196302
387316
-
20.274
499.2989
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
TAUROCHOLATE (CAS# 81-24-3); (M+NA)+
Taurocholic acid
ME196303
6675
-
17.952
515.2876
20:0 LYSO PC (CAS# 108341-80-6); (M+NA)+
LPC 20:0
ME195890
24779473
-
23.047
551.3941
20:0 LYSO PC (CAS# 108341-80-6); (M+H)+
LPC 20:0
ME195889
24779473
-
23.227
551.3961
PROTOPORPHYRIN (CAS# 553-12-8); (M+H)+
Protoporphyrin
ME196262
4971
-
23.053
562.2585
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
BILIRUBIN (CAS# 635-65-4); (M+H)+[-H2O]
Bilirubin
ME195971
5280352
-
11.158
584.2625
TRIMETHYLAMINE (CAS# 75-50-3); (M+H)+
Trimethylamine
ME196320
1146
-
0.72
59.0734
UDP-N-ACETYL-D-GLUCOSAMINE (CAS# 528-04-1); (M+H)+
UDP-N-acetylglucosamine
ME196326
445675
-
1.62
607.0781
C12 GALACTOSYL(BETA) CERAMIDE (D18:1/12:0) (CAS# 4...
-
ME195980
46891735
-
23.25
643.5021
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...
-
ME195978
46891735
-
23.291
643.5081
STACHYOSE (CAS# 54261-98-2); (M+NA)+
Stachyose
ME196297
439531
-
0.718
666.2205
GLYCINE (CAS# 56-40-6); (M+H)+
Glycine
ME196071
750
-
0.873
75.0325
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
THYROXINE (CAS# 51-48-9); (M+NA)+
Thyroxine
ME196315
5819
-
15.786
776.6838
THYROXINE (CAS# 51-48-9); (M+H)+
Thyroxine
ME196314
5819
-
16.267
776.6925
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
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
3-METHYL-2-BUTENAL (CAS# 107-86-8); (M+NA)+
3-Methyl-2-butenal
ME195909
61020
-
2.622
84.0569
GAMMA-BUTYROLACTONE (CAS# 96-48-0); (M+H)+
gamma-Butyrolactone
ME196057
7302
-
1.775
86.0373
2-METHYLPROPANAL OXIME (CAS# 151-00-8); (M+H)+[-H2...
2-Methylpropanal oxime
ME195888
9023
-
0.735
87.0684
ALANINE (CAS# 56-41-7); (M+H)+
Alanine
ME195955
5950
-
1.449
89.0477
BETA-ALANINE (CAS# 107-95-9); (M+H)+
beta-Alanine
ME195967
239
-
0.706
89.0477
SARCOSINE (CAS# 107-97-1); (M+H)+
Sarcosine
ME196283
1088
-
0.706
89.0477
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
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
CE(16:0); [M+NH4]+@11.02
CE 16:0
ME196532
246520
-
11.02
-
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
-
CE(17:1); [M+NH4]+@10.90
CE 17:1
ME196535
24779603
-
10.9
-
CE(18:0); [M+NH4]+@11.35
CE 18:0
ME196536
118246
-
11.35
-
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(20:1); [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(20:3); [M+NH4]+@10.82
CE 20:3
ME196544
14274976
-
10.82
-
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
-
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
-
CE(22:4); [M+NH4]+@10.90
CE 22:4
ME196549
16061341
-
10.9
-
CE(22:6); [M+NH4]+@10.52
CE 22:6
ME196550
14274978
-
10.52
-
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 15:0; [M+H]+@1.32
LPC 15:0
ME196944
24779458
-
1.32
-
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 17:0; [M+Na]+@2.15
LPC 17:0
ME196950
24779463
-
2.15
-
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 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 20:1; [M+H]+@2.66
LPC 20:1
ME196961
-
-
2.66
-
lysoPC 20:2; [M+H]+@2.04
LPC 20:2
ME196962
52924053
-
2.04
-
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 20:5; [M+H]+@1.11
LPC 20:5
ME196966
11757087
-
1.11
-
lysoPC 22:0; [M+H]+@4.43
LPC 22:0
ME196967
24779479
-
4.43
-
lysoPC 22:1; [M+H]+@3.54
LPC 22:1
ME196968
-
-
3.54
-
lysoPC 22:4; [M+H]+@1.93
LPC 22:4
ME196969
52924039
-
1.93
-
lysoPC 22:5; [M+H]+@1.56
LPC 22:5
ME196970
-
-
1.56
-
lysoPC 22:6; [M+H]+@1.30
LPC 22:6
ME196971
10415542
-
1.3
-
lysoPC 24:0; [M+H]+@5.32
LPC 24:0
ME196972
24779481
-
5.32
-
lysoPC 24:1; [M+H]+@4.46
LPC 24:1
ME196973
53480477
-
4.46
-
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 17:0; [M+Li]+@3.27
MG 17:0
ME196582
107036
-
3.27
-
MG 18:0; [M+NH4]+@3.81
MG 18:0
ME196583
24699
-
3.81
-
MG 18:1; [M+NH4]+@3.04
MG 18:1
ME196584
-
-
3.04
-
MG 18:2; [M+NH4]+@1.06
MG 18:2
ME196585
5283469
-
1.06
-
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 30:0; [M]+@4.77
SM 30:0;O2
ME196728
46891775
-
4.77
-
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 32:0; [M]+@5.54
SM 32:0;O2
ME196732
44260138
-
5.54
-
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
-
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 33:1; [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 33:2; [M]+@5.11
SM 33:2;O2
ME196740
-
-
5.11
-
SM 34:0; [M]+@6.23
SM 34:0;O2
ME196741
9939965
-
6.23
-
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 36:0; [M]+@6.89
SM 36:0;O2
ME196749
52931167
-
6.89
-
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 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 38:0; [M]+@6.59
SM 38:0;O2
ME196758
44260131
-
6.59
-
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 42:1; [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 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
-
TG 64:17; [M+NH4]+@9.64
TG 64:17
ME196941
9546534
-
9.64
-
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