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Return to study ST000750 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
TRICARBALLYLIC ACID (M-H)-[-H2O]
1,2,3-Propanetricarboxylic acid
ME207729
14925
-
1.366
176.0294
EPIBRASSINOLIDE [ISTD] (M+CL)-
24-epi-Brassinolide
ME207645
115196
-
19.891
480.3457
L-[15N]ANTHRANILIC ACID [ISTD] (M-H)-
2-Aminobenzoic acid
ME207674
227
-
5.292
138.0445
2-DEOXY-D-GLUCOSE (M+CL)-
2-Deoxy-glucose
ME207601
439268
-
0.662
164.0692
2-HYDROXY-3-METHYLBUTYRIC ACID (M-H)-
2-Hydroxy-3-methylbutyric acid
ME207602
853180
-
3.496
118.0629
2-HYDROXYBUTYRIC ACID (M-H)-
2-Hydroxybutyric acid
ME207603
11266
-
1.748
104.0475
3-HYDROXY-3-METHYLGLUTARIC ACID (M-H)-
3-Hydroxymethylglutaric acid
ME207606
1662
-
1.603
162.051
3-METHOXYTYROSINE (M-H)-
3-Methoxytyrosine
ME207607
9307
-
1.972
211.0833
3-METHYL-2-OXOPENTANOIC ACID (M-H)-
3-Methyl-2-oxovaleric acid
ME207608
440877
-
4.301
130.0631
4-NITROPHENOL (M-H)-
4-Nitrophenol
ME207611
980
-
6.988
139.0268
4-PYRIDOXIC ACID (M-H)-
4-Pyridoxic acid
ME207612
6723
-
1.848
183.0517
5-AMINOPENTANOIC ACID (M-H)-
5-Aminopentanoic acid
ME207614
138
-
0.714
117.0781
5-HYDROXYTRYPTOPHAN (M-H)-
5-Hydroxy-tryptophan
ME207615
439280
-
1.753
220.0848
5-METHYLTETRAHYDROFOLIC ACID (M-H)-
5-Methyl-THF
ME207616
9825434
-
3.666
459.1853
5'-METHYLTHIOADENOSINE (M+CL)-
5'-Methylthioadenosine
ME207613
439176
-
4.471
297.089
ADENOSINE (M+CL)-
Adenosine
ME207618
60961
-
1.754
267.0949
ADIPIC ACID (M-H)-
Adipic acid
ME207620
196
-
3.555
146.0596
ALLANTOIN (M-H)-
Allantoin
ME207621
439714
-
0.639
158.0435
ADENOSINE 5'-MONOPHOSPHATE (M-H)-
AMP
ME207619
6083
-
0.905
347.06
ARACHIDIC ACID (M-H)-
Arachidic acid
ME207622
10467
-
23.594
312.3021
ARACHIDONIC ACID (M-H)-
Arachidonic acid
ME207623
444899
-
22.693
304.2408
L-ARGININE (M-H)-
Arginine
ME207671
6322
-
0.596
174.1108
ASPARAGINE (M-H)-
Asparagine
ME207624
6267
-
0.619
132.0543
AZELAIC ACID (M-H)-
Azelaic acid
ME207625
2266
-
10.769
188.1044
BEHENIC ACID (M-H)-
Behenic acid
ME207626
8215
-
24.112
340.3339
BILIVERDIN (M-H)-
Biliverdin
ME207627
5280353
-
18.689
582.2537
BIOTIN (M+CL)-
Biotin
ME207628
11966127
-
6.272
244.0888
BIOTIN (M-H)-
Biotin
ME207629
11966127
-
6.27
244.0878
DECANOIC ACID (M-H)-
Capric acid
ME207636
2969
-
19.894
172.1457
HEXACOSANOIC ACID (M-H)-
Cerotic acid
ME207660
10469
-
25.771
396.3968
CHOLIC ACID (M-H)-
Cholic acid
ME207630
221493
-
20.449
408.2866
CIS-ACONITIC ACID (M-H)-
cis-Aconitic acid
ME207632
643757
-
1.449
174.0166
ERUCIC ACID (M-H)-
cis-Erucic acid
ME207646
5281116
-
23.663
338.3182
CIS-11-EICOSENOIC ACID (M-H)-
cis-Gondoic acid
ME207631
5282768
-
23.253
310.2869
CITRIC ACID (M-H)-
Citric acid
ME207633
311
-
1.008
192.0269
CITRULLINE (M-H)-
Citrulline
ME207634
9750
-
0.627
175.0981
CORTICOSTERONE (M+CL)-
Corticosterone
ME207635
5753
-
15.464
346.2142
DEHYDROASCORBIC ACID (M+CL)-
Dehydroascorbic acid
ME207637
440667
-
0.658
174.0178
DEHYDROASCORBIC ACID (M-H)-
Dehydroascorbic acid
ME207638
440667
-
0.832
174.016
DEOXYADENOSINE (M+CL)-
Deoxyadenosine
ME207639
13730
-
1.774
251.1006
DEOXYCYTIDINE (M+CL)-
Deoxycytidine
ME207640
13711
-
0.92
227.0886
2'-DEOXYINOSINE (M-H)-
Deoxyinosine
ME207600
65058
-
2.058
252.0833
DEOXYURIDINE (M+CL)-
Deoxyuridine
ME207641
13712
-
1.592
228.0751
DEOXYURIDINE (M-H)-
Deoxyuridine
ME207642
13712
-
1.562
228.0739
O-PHOSPHO-SERINE (2M-H)+
DL-O-Phosphoserine
ME207695
68841
-
0.718
185.0107
DOCOSAHEXAENOIC ACID (M-H)-
Docosahexaenoic acid
ME207643
445580
-
22.673
328.2407
DUMP (M-H)-
dUMP
ME207644
65063
-
0.978
308.0428
FUMARIC ACID (M-H)-
Fumaric acid
ME207647
444972
-
1.221
116.0108
GALACTARIC ACID (M-H)-
Galactaric acid
ME207648
3037582
-
0.637
210.0395
GERANYLGERANYL DIPHOSPHATE (M-H)-
Geranylgeranyl diphosphate
ME207649
447277
-
23.225
450.1908
GLUCONIC ACID (M-H)-
Gluconic acid
ME207650
10690
-
0.655
196.057
GLUCOSE (M+CL)-
Glucose
ME207651
5793
-
0.626
180.064
GLUTAMINE (M-H)-
Glutamine
ME207652
5961
-
0.596
146.0686
GLUTARIC ACID (M-H)-
Glutaric acid
ME207653
743
-
2.041
132.0423
GLUTATHIONE (OXIDIZED) (M-H)-
Glutathione
ME207654
65359
-
1.35
612.152
GLYCERIC ACID (M-H)-
Glyceric acid
ME207655
439194
-
0.798
106.0265
GLYCOCHOLIC ACID (M-H)-
Glycocholic acid
ME207656
10140
-
18.975
465.3087
GUANINE (M-H)-
Guanine
ME207657
764
-
0.766
151.0489
GUANOSINE (M-H)-
Guanosine
ME207658
6802
-
1.806
283.0914
HIPPURIC ACID (M-H)-
Hippuric acid
ME207661
464
-
4.792
179.0579
L-HISTIDINE (M-H)-
Histidine
ME207672
6274
-
0.582
155.0689
HOMOVANILLIC ACID (2M-H)-
Homovanillic acid
ME207662
1738
-
5.728
182.0586
3-(4-HYDROXYPHENYL)LACTIC ACID (M-H)-
Hydroxyphenyllactic acid
ME207605
440177
-
3.807
182.0574
HYODEOXYCHOLIC ACID (M-H)-
Hyodeoxycholic acid
ME207663
5283820
-
22.874
392.2955
HYPOXANTHINE (M-H)-
Hypoxanthine
ME207664
790
-
1.037
136.0369
INOSINE 5'-DIPHOSPHATE (M-H)-
IDP
ME207666
6831
-
0.71
428.0169
INOSINE (M-H)-
Inosine
ME207665
6021
-
1.802
268.0806
ISOCITRIC ACID (M-H)-
Isocitric acid
ME207667
5318532
-
0.707
192.0267
ISOLEUCINE (M-H)-
Isoleucine
ME207668
6306
-
1.465
131.0943
4-METHYL-2-OXOPENTANOIC ACID (M-H)-
Ketoleucine
ME207610
70
-
4.704
130.0631
KYNURENIC ACID (M-H)-
Kynurenic acid
ME207669
3845
-
4.874
189.0411
KYNURENINE (M-H)-
Kynurenine
ME207670
161166
-
2.16
208.0825
LAURIC ACID (M-H)-
Lauric acid
ME207675
3893
-
21.764
200.1773
LEUCINE (M-H)-
Leucine
ME207676
6106
-
1.523
131.0945
LIGNOCERIC ACID (M-H)-
Lignoceric acid
ME207677
11197
-
24.813
368.3655
LINOLEIC ACID (M-H)-
Linoleic acid
ME207678
5280450
-
22.709
280.2405
16:0 LYSO PC (M+CL)-
LPC 16:0
ME207597
460602
-
22.254
495.3329
18:0 LYSO-PE (M-H)-
LPE 18:0
ME207599
9547068
-
22.651
481.3173
LYSINE (M-H)-
Lysine
ME207679
5962
-
0.562
146.1045
MALEIC ACID (M-H)-
Maleic acid
ME207680
444266
-
0.946
116.0115
MALIC ACID (M-H)-
Malic acid
ME207681
222656
-
0.78
134.0212
MANDELIC ACID (M-H)-
Mandelic acid
ME207682
11914
-
5.634
152.0469
HEPTADECANOIC ACID (M-H)-
Margaric acid
ME207659
10465
-
22.998
270.2556
METHIONINE (M-H)-
Methionine
ME207683
6137
-
0.921
149.0502
METHYL BETA-D-GALACTOSIDE (M+CL)-
Methyl beta-D-galactoside
ME207684
94214
-
0.862
194.0781
MEVALONIC ACID (M-H)-
Mevalonic acid
ME207685
439230
-
1.567
148.0724
MYRISTIC ACID (M-H)-
Myristic acid
ME207686
11005
-
22.442
228.2088
MYRISTOLEIC ACID (M-H)-
Myristoleic acid
ME207687
5281119
-
22.085
226.1932
N-ACETYL-L-ALANINE (M-H)-
N-Acetylalanine
ME207689
88064
-
1.456
131.0575
N-ACETYL-D-GLUCOSAMINE (M+CL)-
N-Acetylglucosamine
ME207688
446101
-
0.65
221.0912
N-ACETYLGLYCINE (M-H)-
N-Acetylglycine
ME207692
1097
-
0.892
117.0416
N-ACETYL-L-LEUCINE (M-H)-
N-Acetylleucine
ME207690
75619
-
7.156
173.1047
N-ACETYLNEURAMINIC ACID (M-H)-
N-Acetylneuraminic acid
ME207693
444885
-
0.663
309.1051
N-ACETYL-L-PHENYLALANINE (M-H)-
N-Acetylphenylalanine
ME207691
74839
-
7.698
207.0884
NERVONIC ACID (M-H)-
Nervonic acid
ME207694
5281120
-
24.188
366.3493
OLEIC ACID (M-H)-
Oleic acid
ME207697
445639
-
22.91
282.2565
ORNITHINE (M-H)-
Ornithine
ME207698
6262
-
0.564
132.0888
OROTIC ACID (M-H)-
Orotic acid
ME207699
967
-
0.834
156.0161
O-SUCCINYL-L-HOMOSERINE (M-H)-
o-Succinylhomoserine
ME207696
439406
-
0.836
219.0733
OXALIC ACID (M-H)-
Oxalic acid
ME207700
971
-
0.603
89.9962
OXALOACETIC ACID (M-H)-[-H2O]
Oxaloacetic acid
ME207701
970
-
0.541
132.0035
PALMITIC ACID (M-H)-
Palmitic acid
ME207702
985
-
22.833
256.2406
PALMITOLEIC ACID (M-H)-
Palmitoleic acid
ME207703
445638
-
22.568
254.2245
PANTOTHENIC ACID (M+CL)-
Pantothenic acid
ME207704
6613
-
3.276
219.1105
PANTOTHENIC ACID (M-H)-
Pantothenic acid
ME207705
6613
-
3.274
219.1108
16:0-18:0 PC (M+CL)-
PC 16:0_18:0
ME207598
18631368
-
25.454
761.5939
PHENYLALANINE (M-H)-
Phenylalanine
ME207706
6140
-
2.47
165.0789
PHYTANIC ACID (M-H)-
Phytanic acid
ME207707
10380830
-
23.26
312.3012
PINITOL (M+CL)-
Pinitol
ME207708
164619
-
0.658
194.0817
PROTOPORPHYRIN (M-H)-
Protoporphyrin
ME207709
4971
-
22.926
562.2571
PTERIN (M-H)-
Pterin
ME207710
73000
-
1.519
163.0481
5-OXOPROLINE (M-H)-
Pyroglutamic acid
ME207617
7405
-
1.171
129.0424
PYRUVIC ACID (M-H)-
Pyruvic acid
ME207711
1060
-
0.691
88.0164
RAFFINOSE (M+CL)-
Raffinose
ME207712
439242
-
0.655
504.1698
RIBOFLAVIN (M+CL)-
Riboflavin
ME207713
493570
-
7.62
376.1379
RIBOFLAVIN (M-H)-
Riboflavin
ME207714
493570
-
7.622
376.1369
RIBOSE (M+CL)-
Ribose
ME207715
5779
-
0.644
150.0531
S-ADENOSYL-L-HOMOCYSTEINE (M-H)-
S-Adenosylhomocysteine
ME207716
439155
-
1.474
384.1159
SALICYLATE #2 (M-H)-
Salicylic acid
ME207717
338
-
8.188
138.0315
SEBACIC ACID (M-H)-
Sebacic acid
ME207718
5192
-
13.008
202.1201
SERINE (M-H)-
Serine
ME207719
617
-
0.597
105.0428
24:0 SM (D18:1/24:0) (M+CL)-
SM 18:1;O2/24:0
ME207604
44260127
-
27.806
814.6969
STACHYOSE (M+CL)-
Stachyose
ME207720
439531
-
0.661
666.218
STEARIC ACID (M-H)-
Stearic acid
ME207721
5281
-
23.185
284.272
SUBERIC ACID (M-H)-
Suberic acid
ME207722
10457
-
8.27
174.0887
SUCCINIC ACID (M-H)-
Succinic acid
ME207723
1110
-
1.298
118.0264
SUCROSE (M+CL)-
Sucrose
ME207724
5988
-
0.651
342.1177
TAURINE (M-H)-
Taurine
ME207725
1123
-
0.586
125.0146
THYMIDINE (M+CL)-
Thymidine
ME207726
5789
-
2.743
242.0901
THYMIDINE (M-H)-
Thymidine
ME207727
5789
-
2.739
242.09
TRANS-ACONITIC ACID (M-H)-
trans-Aconitic acid
ME207728
444212
-
1.121
174.0162
ZEATIN [ISTD] (M+CL)-
trans-Zeatin
ME207740
449093
-
3.863
219.1118
ZEATIN [ISTD] (M-H)-
trans-Zeatin
ME207741
449093
-
3.86
219.1118
TRICOSANOIC ACID (M-H)-
Tricosylic acid
ME207730
17085
-
24.429
354.3494
TRIDECANOIC ACID (M-H)-
Tridecylic acid
ME207731
12530
-
22.152
214.1926
L-TRYPTOPHAN-15N2 [ISTD] (M-H)-
Tryptophan
ME207673
16217285
-
3.573
206.0841
TRYPTOPHAN (M-H)-
Tryptophan
ME207732
6305
-
3.573
204.0873
TYROSINE (M-H)-
Tyrosine
ME207733
6057
-
1.286
181.0734
3-UREIDOPROPIONIC ACID (M-H)-
Ureidopropionic acid
ME207609
111
-
0.867
132.0512
URIC ACID (M-H)-
Uric acid
ME207734
1175
-
0.986
168.0279
URIDINE (M+CL)-
Uridine
ME207735
6029
-
1.315
244.0696
URIDINE (M-H)-
Uridine
ME207736
6029
-
1.351
244.0695
VALINE (M-H)-
Valine
ME207737
6287
-
0.871
117.0783
XANTHINE (M-H)-
Xanthine
ME207738
1188
-
1.245
152.0329
XANTHOSINE (M-H)-
Xanthosine
ME207739
64959
-
2.272
284.0773
Analysis: Reversed phase POSITIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
1-METHYLXANTHINE (M+H)+
1-Methylxanthine
ME207742
80220
-
2.47
166.0475
1-METHYLXANTHINE (M+NA)+
1-Methylxanthine
ME207743
80220
-
2.466
166.0468
EPIBRASSINOLIDE [ISTD] (M+H)+
24-epi-Brassinolide
ME207822
115196
-
19.89
480.3462
EPIBRASSINOLIDE [ISTD] (M+NA)+
24-epi-Brassinolide
ME207823
115196
-
19.889
480.3461
CALCIDIOL (M+H)+[-H2O]
25-Hydroxyvitamin D3
ME207790
5283731
-
22.559
400.3274
2-DEOXY-D-GLUCOSE (M+NA)+
2-Deoxy-glucose
ME207753
439268
-
0.752
164.066
2-HYDROXY-4-(METHYLTHIO)BUTYRIC ACID (M+H)+
2-Hydroxy-4-(methylthio)butanoic acid
ME207754
11427
-
3.268
150.0376
QUINOLIN-2-OL (M+H)+
2-Hydroxyquinoline
ME207908
6038
-
7.731
145.0531
QUINOLIN-2-OL (M+NA)+
2-Hydroxyquinoline
ME207909
6038
-
7.733
145.0527
AHBA (M+H)+
3-Amino-5-hydroxybenzoic acid
ME207776
127115
-
1.235
153.0395
3-AMINOISOBUTYRIC ACID (M+H)+[-H2O]
3-Aminoisobutanoic acid
ME207758
64956
-
1.786
103.0629
3-HYDROXYBENZALDEHYDE (M+H)+[-H2O]
3-Hydroxybenzaldehyde
ME207759
101
-
4.77
122.0371
3-METHOXYTYROSINE (M+H)+
3-Methoxytyrosine
ME207760
9307
-
1.975
211.0842
3-METHYLXANTHINE (M+H)+
3-Methylxanthine
ME207761
70639
-
2.471
166.0521
4-ACETAMIDOBUTANOIC ACID (M+NA)+
4-Acetamidobutanoic acid
ME207762
18189
-
1.81
145.0734
4-PYRIDOXIC ACID (M+NA)+
4-Pyridoxic acid
ME207764
6723
-
1.844
183.0563
4-QUINOLINECARBOXYLIC ACID #2 (M+H)+
4-Quinolinecarboxylic acid
ME207765
10243
-
4.937
173.0469
5-HYDROXYTRYPTOPHAN (M+H)+
5-Hydroxy-tryptophan
ME207768
439280
-
1.761
220.0822
5-METHYLTETRAHYDROFOLIC ACID (M+H)+
5-Methyl-THF
ME207769
9825434
-
3.673
459.1855
5'-METHYLTHIOADENOSINE (M+H)+
5'-Methylthioadenosine
ME207766
439176
-
4.466
297.0904
5'-METHYLTHIOADENOSINE (M+NA)+
5'-Methylthioadenosine
ME207767
439176
-
4.47
297.0898
5-VALEROLACTONE (M+H)+
5-Valerolactone
ME207771
10953
-
2.174
100.0524
ADENOSINE (M+H)+
Adenosine
ME207773
60961
-
1.756
267.0962
ADIPIC ACID (M+H)+
Adipic acid
ME207775
196
-
3.595
146.0552
ALPHA-TOCOPHEROL (M+H)+
alpha-Tocopherol
ME207777
14985
-
24.512
430.3792
ADENOSINE 5'-MONOPHOSPHATE (M+H)+
AMP
ME207774
6083
-
0.913
347.0595
L-ARGININE (M+H)+
Arginine
ME207860
6322
-
0.602
174.1117
L-ARGININE (M+NA)+
Arginine
ME207861
6322
-
0.589
174.1107
ASPARAGINE (M+H)+
Asparagine
ME207778
6267
-
0.652
132.0547
AZELAIC ACID (M+H)+[-H2O]
Azelaic acid
ME207779
2266
-
10.765
188.105
AZELAIC ACID (M+NA)+
Azelaic acid
ME207780
2266
-
10.763
188.1058
BILIVERDIN (M+H)+
Biliverdin
ME207781
5280353
-
18.69
582.2482
BILIVERDIN (M+NA)+
Biliverdin
ME207782
5280353
-
18.69
582.25
BIOTIN (M+H)+
Biotin
ME207783
11966127
-
6.272
244.0893
BIOTIN (M+H)+[-H2O]
Biotin
ME207784
11966127
-
6.223
244.0891
BIOTIN (M+NA)+
Biotin
ME207785
11966127
-
6.268
244.0906
BIS(2-ETHYLHEXYL)PHTHALIC ACID (M+H)+
bis(2-Ethylhexyl)phthalic acid
ME207786
8343
-
23.078
390.2766
BIS(2-ETHYLHEXYL)PHTHALIC ACID (M+NA)+
bis(2-Ethylhexyl)phthalic acid
ME207787
8343
-
23.078
390.2783
BIURET (M+H)+
Biuret
ME207788
7913
-
0.736
103.0396
DECENOYLCARNITINE (*) (M+H)+
CAR 10:1
ME207812
57357170
-
13.985
313.2247
STEAROYLCARNITINE (*) (M+H)+
CAR 18:0
ME207918
52922056
-
21.82
427.3625
OLEOYLCARNITINE (*) (M+H)+
CAR 18:1
ME207896
6441392
-
21.503
425.3507
ACETYLCARNITINE (M+H)+
CAR 2:0
ME207772
18230
-
0.902
203.113
EICOSENOYLCARNITINE (*) (M+H)+
CAR 20:1
ME207821
71464507
-
21.902
453.3778
PROPIONYLCARNITINE (*) (M+H)+
CAR 3:0
ME207905
107738
-
1.606
217.1312
ISO-BUTYRYLCARNITINE (*) (M+H)+
CAR 3:0;2Me
ME207852
168379
-
2.773
231.1464
BUTYRYLCARNITINE (*) (M+H)+
CAR 4:0
ME207789
213144
-
2.894
231.1472
ISOVALERYLCARNITINE (*) (M+H)+
CAR 4:0;3Me
ME207855
169235
-
4.558
245.1629
HEXANOYLCARNITINE (*) M+
CAR 6:0
ME207842
3246939
-
7.027
260.186
OCTANOYLCARNITINE (*) (M+H)+
CAR 8:0
ME207890
123701
-
11.726
287.2112
GLUTARYLCARNITINE (*) (M+H)+
CAR DC5:0
ME207833
53481622
-
1.862
275.1371
CARNITINE (M+H)+
Carnitine
ME207791
10917
-
0.624
161.1026
CYTIDINE 5'-DIPHOSPHATE (M+H)+
CDP
ME207807
6132
-
0.628
403.0208
CYTIDINE 5'-DIPHOSPHATE (M+NA)+
CDP
ME207808
6132
-
0.781
403.0229
CYTIDINE 5'-DIPHOSPHOCHOLINE (M+H)+
CDP-choline
ME207809
13804
-
0.555
488.1021
CHOLESTEROL (M+H)+[-H2O]
Cholesterol
ME207792
5997
-
24.603
386.3557
CHOLESTEROL HYDROGEN SULFATE M+[-HSO4]
Cholesterol sulfate
ME207793
65076
-
23.864
466.3118
CHOLIC ACID (M+NA)+
Cholic acid
ME207794
221493
-
20.445
408.2852
CHOLINE M+
Choline
ME207795
305
-
0.6
104.1062
CHOLINE PHOSPHATE (M+H)+
Choline phosphate
ME207796
1014
-
0.612
183.0642
4-HYDROXY-L-PROLINE (M+H)+
cis-4-Hydroxyproline
ME207763
440015
-
0.673
131.0595
CITRIC ACID (M+NA)+
Citric acid
ME207797
311
-
1.005
192.0263
CITRULLINE (M+H)+
Citrulline
ME207798
9750
-
0.636
175.0931
CORTICOSTERONE (M+H)+
Corticosterone
ME207799
5753
-
15.457
346.2129
CORTICOSTERONE (M+NA)+
Corticosterone
ME207800
5753
-
15.459
346.2156
CYSTATHIONINE (M+H)+
Cystathionine
ME207801
439258
-
0.632
222.0643
CYSTATHIONINE (M+H)+[-H2O]
Cystathionine
ME207802
439258
-
0.632
222.067
CYSTATHIONINE (M+NA)+
Cystathionine
ME207803
439258
-
0.656
222.0717
CYSTEIC ACID (M+H)+
Cysteic acid
ME207804
72886
-
0.641
187.0168
CYSTINE (M+NA)+
Cystine
ME207805
6857538
-
0.727
240.0197
CYTIDINE (M+H)+
Cytidine
ME207806
6175
-
0.822
243.0808
DEOXYCYTIDINE (2M+H)+
Deoxycytidine
ME207813
13711
-
0.921
227.0899
DEOXYCYTIDINE (2M+NA)+
Deoxycytidine
ME207814
13711
-
0.921
227.0886
DEOXYCYTIDINE (M+H)+
Deoxycytidine
ME207815
13711
-
0.919
227.0889
DEOXYCYTIDINE (M+NA)+
Deoxycytidine
ME207816
13711
-
0.926
227.0891
2'-DEOXYINOSINE (M+NA)+
Deoxyinosine
ME207750
65058
-
2.059
252.0896
DEOXYURIDINE (M+NA)+
Deoxyuridine
ME207817
13712
-
1.575
228.075
DESMOSTEROL (M+H)+[-H2O]
Desmosterol
ME207818
439577
-
24.16
384.3397
DIPALMITOYL-GLYCEROL (M+H)+[-H2O]
DG 16:0_16:0
ME207819
644078
-
26.293
568.5041
DIPALMITOYL-GLYCEROL (M+NA)+
DG 16:0_16:0
ME207820
644078
-
26.296
568.5076
ESTRONE (M+H)+
Estrone
ME207824
5870
-
16.355
270.1597
ETHANOLAMINE (M+NA)+
Ethanolamine
ME207825
700
-
0.827
61.0539
FLUCYTOSINE (M+H)+
Flucytosine
ME207827
3366
-
0.703
129.0347
D-GALACTOSAMINE (M+K)+
Galactosamine
ME207810
3034366
-
0.662
179.0787
GAMMA-LINOLENIC ACID (M+NA)+
gamma-Linolenic acid
ME207828
5280933
-
22.826
278.2233
D-GLUCOSAMINE (M+H)+
Glucosamine
ME207811
439213
-
0.67
179.0806
GLUCOSE (2M+NA)+
Glucose
ME207829
5793
-
0.652
180.066
GLUCOSE (M+NA)+
Glucose
ME207830
5793
-
0.688
180.0624
GLUTAMIC ACID (M+H)+
Glutamic acid
ME207831
33032
-
0.617
147.0507
GLUTAMINE (M+NA)+
Glutamine
ME207832
5961
-
0.604
146.0675
GLUTATHIONE OXIDIZED (M+H)+
Glutathione
ME207834
65359
-
1.322
612.1482
GLYCOCHENODEOXYCHOLIC ACID (M+H)+[-H2O]
Glycochenodeoxycholic acid
ME207837
9548796
-
20.356
449.3068
GLYCOCHOLIC ACID (M+H)+
Glycocholic acid
ME207838
10140
-
18.972
465.3084
GLYCOCHOLIC ACID (M+H)+[-H2O]
Glycocholic acid
ME207839
10140
-
18.971
465.3108
GLYCOCHOLIC ACID (M+NA)+
Glycocholic acid
ME207840
10140
-
18.971
465.3086
GUANINE (M+H)+
Guanine
ME207841
764
-
0.956
151.0467
HIPPURIC ACID (M+NA)+
Hippuric acid
ME207843
464
-
4.777
179.0588
L-HISTIDINE (M+H)+
Histidine
ME207862
6274
-
0.61
155.0674
L-HISTIDINE (M+NA)+
Histidine
ME207863
6274
-
0.601
155.0691
HOMOCYSTINE (M+H)+
Homocystine
ME207844
10010
-
0.758
268.0537
HOMOGENTISIC ACID (M+H)+
Homogentisic acid
ME207845
780
-
2.065
168.0396
HYPOXANTHINE (M+H)+
Hypoxanthine
ME207846
790
-
1.052
136.0386
HYPOXANTHINE (M+NA)+
Hypoxanthine
ME207847
790
-
1.044
136.0369
INDOLE-3-ACETIC ACID (M+H)+
Indoleacetic acid
ME207848
802
-
8.389
175.0642
INDOLE-3-ACETIC ACID (M+NA)+
Indoleacetic acid
ME207849
802
-
8.392
175.0646
INOSINE (M+H)+
Inosine
ME207850
6021
-
1.792
268.0842
INOSINE (M+NA)+
Inosine
ME207851
6021
-
1.813
268.0814
ISOLEUCINE (M+H)+
Isoleucine
ME207853
6306
-
1.477
131.0942
ISOLEUCINE (M+NA)+
Isoleucine
ME207854
6306
-
1.481
131.0939
KYNURENIC ACID (M+H)+
Kynurenic acid
ME207856
3845
-
4.869
189.0428
KYNURENIC ACID (M+NA)+
Kynurenic acid
ME207857
3845
-
4.897
189.0423
KYNURENINE (M+H)+
Kynurenine
ME207858
161166
-
2.161
208.085
KYNURENINE (M+NA)+
Kynurenine
ME207859
161166
-
2.163
208.0826
LANOSTEROL (M+NA)+
Lanosterol
ME207866
246983
-
23.768
426.3787
16:0 LYSO PC (M+H)+
LPC 16:0
ME207744
460602
-
22.257
495.3335
16:0 LYSO PC (M+NA)+
LPC 16:0
ME207745
460602
-
22.255
495.3338
20:0 LYSO PC (M+H)+
LPC 20:0
ME207755
24779473
-
22.947
551.3902
18:0 LYSO-PE (M+H)+
LPE 18:0
ME207748
9547068
-
22.651
481.3203
18:0 LYSO-PE (M+NA)+
LPE 18:0
ME207749
9547068
-
22.652
481.3182
LUMICHROME (M+NA)+
Lumichrome
ME207867
5326566
-
10.937
242.0822
LYSINE (M+H)+
Lysine
ME207868
5962
-
0.511
146.1056
LYSINE (M+NA)+
Lysine
ME207869
5962
-
0.529
146.1053
METHIONINE (M+H)+
Methionine
ME207870
6137
-
0.96
149.0495
L-METHIONINE SULFOXIMINE (M+NA)+
Methionine sulfoximine
ME207864
89034
-
0.633
180.0602
METHYL BETA-D-GALACTOSIDE (M+NA)+
Methyl beta-D-galactoside
ME207871
94214
-
0.877
194.0769
METHYL JASMONATE (M+NA)+
Methyl jasmonate
ME207872
5281929
-
15.978
224.1413
GLYCEROL MYRISTATE (M+H)+[-H2O]
MG 14:0
ME207835
79050
-
22.063
302.2423
GLYCEROL MYRISTATE (M+NA)+
MG 14:0
ME207836
79050
-
22.148
302.2456
OLEOYL-GLYCEROL (M+NA)+
MG 18:1
ME207895
5319879
-
22.691
356.2927
N-ACETYL-ASPARTIC ACID (M+NA)+
N-Acetylaspartic acid
ME207873
65065
-
0.95
175.0454
N-ACETYL-D-TRYPTOPHAN (M+H)+
N-Acetyl-D-tryptophan
ME207875
439917
-
7.946
246.1023
N-ACETYLGALACTOSAMINE (M+H)+
N-Acetylgalactosamine
ME207882
35717
-
0.704
221.0872
N-ACETYL-D-GLUCOSAMINE (M+NA)+
N-Acetylglucosamine
ME207874
446101
-
0.685
221.087
N-ACETYL-L-LEUCINE (M+H)+
N-Acetylleucine
ME207878
75619
-
7.153
173.1049
N-ACETYL-L-LEUCINE (M+NA)+
N-Acetylleucine
ME207879
75619
-
7.15
173.1065
N-ACETYL-DL-METHIONINE (M+H)+
N-Acetylmethionine
ME207876
448580
-
4.059
191.0607
N-ACETYLNEURAMINIC ACID (M+H)+
N-Acetylneuraminic acid
ME207883
444885
-
0.71
309.1019
N-ACETYL-L-PHENYLALANINE (M+H)+
N-Acetylphenylalanine
ME207880
74839
-
7.701
207.0905
N-ACETYL-L-PHENYLALANINE (M+NA)+
N-Acetylphenylalanine
ME207881
74839
-
7.696
207.0896
N-ACETYL-DL-SERINE (M+H)+[-H2O]
N-Acetylserine
ME207877
65249
-
0.837
147.0529
NAD (M+H)+
NAD
ME207886
5893
-
0.97
663.105
N-CYCLOHEXYLFORMAMIDE (M+H)+
N-Cyclohexylformamide
ME207884
13017
-
7.892
127.0976
N-CYCLOHEXYLFORMAMIDE (M+NA)+
N-Cyclohexylformamide
ME207885
13017
-
7.893
127.0981
NICOTINAMIDE (M+H)+
Niacinamide
ME207887
936
-
1.071
122.0468
OLEAMIDE (M+H)+
Oleamide
ME207891
5283387
-
22.601
281.2715
OLEAMIDE (M+NA)+
Oleamide
ME207892
5283387
-
22.599
281.2697
OLEIC ACID (M+H)+
Oleic acid
ME207893
445639
-
22.508
282.2564
OLEIC ACID (M+NA)+
Oleic acid
ME207894
445639
-
22.518
282.2554
ORNITHINE (M+H)+
Ornithine
ME207897
6262
-
0.512
132.0897
PANTOTHENIC ACID (M+H)+
Pantothenic acid
ME207898
6613
-
3.274
219.1113
PANTOTHENIC ACID (M+NA)+
Pantothenic acid
ME207899
6613
-
3.274
219.1114
16:0-18:0 PC (M+H)+
PC 16:0_18:0
ME207746
18631368
-
25.45
761.5937
16:0-18:0 PC (M+NA)+
PC 16:0_18:0
ME207747
18631368
-
25.45
761.5982
NONANOIC ACID (M+NA)+
Pelargonic acid
ME207888
8158
-
13.191
158.1315
PHENYLALANINE (M+H)+
Phenylalanine
ME207900
6140
-
2.509
165.078
2-AMINOETHYL DIHYDROGEN PHOSPHATE (M+H)+
Phosphoethanolamine
ME207751
1015
-
0.615
141.0199
2-AMINOETHYL DIHYDROGEN PHOSPHATE (M+NA)+
Phosphoethanolamine
ME207752
1015
-
0.613
141.0183
PIPECOLIC ACID (M+H)+
Pipecolic acid
ME207901
849
-
0.851
129.0766
PREGNENOLONE (M+NA)+
Pregnenolone
ME207902
8955
-
20.138
316.2387
PROTOPORPHYRIN (M+H)+
Protoporphyrin
ME207906
4971
-
22.925
562.26
PYRIDOXAL (M+H)+
Pyridoxal
ME207907
1050
-
0.925
167.0563
5-OXOPROLINE (M+H)+
Pyroglutamic acid
ME207770
7405
-
1.167
129.0426
RAFFINOSE (M+NA)+
Raffinose
ME207910
439242
-
0.664
504.1591
RIBOFLAVIN (M+H)+
Riboflavin
ME207911
493570
-
7.622
376.1403
RIBOFLAVIN (M+NA)+
Riboflavin
ME207912
493570
-
7.62
376.1384
SELENOMETHIONINE (M+H)+
Selenomethionine
ME207913
105024
-
1.18
196.9986
24:0 SM (D18:1/24:0) (M+H)+
SM 18:1;O2/24:0
ME207756
44260127
-
27.797
814.6918
24:0 SM (D18:1/24:0) (M+NA)+
SM 18:1;O2/24:0
ME207757
44260127
-
27.8
814.6937
SPERMIDINE (M+H)+
Spermidine
ME207914
1102
-
0.504
145.158
SPERMINE (M+H)+
Spermine
ME207915
1103
-
0.495
202.2157
SPHINGANINE (M+H)+
Sphinganine
ME207916
644260
-
20.827
301.2952
STACHYOSE (M+NA)+
Stachyose
ME207917
439531
-
0.669
666.2156
SUBERIC ACID (M+H)+[-H2O]
Suberic acid
ME207919
10457
-
8.275
174.0886
SUBERIC ACID (M+NA)+
Suberic acid
ME207920
10457
-
8.254
174.0899
SUCROSE (M+NA)+
Sucrose
ME207921
5988
-
0.668
342.1111
TAUROCHENODEOXYCHOLIC ACID (M+NA)+
Taurochenodeoxycholic acid
ME207922
387316
-
20.135
499.2953
THIAMIN M+
Thiamine
ME207923
1130
-
0.647
265.1143
THREONINE (M+H)+[-H2O]
Threonine
ME207924
6288
-
0.943
119.057
THYMIDINE (M+NA)+
Thymidine
ME207925
5789
-
2.74
242.089
FERULIC ACID (M+H)+
trans-Ferulic acid
ME207826
445858
-
7.907
194.0564
ZEATIN [ISTD] (M+H)+
trans-Zeatin
ME207937
449093
-
3.862
219.1126
L-TRYPTOPHAN-15N2 [ISTD] (M+H)+
Tryptophan
ME207865
16217285
-
3.574
206.0847
TRYPTOPHAN (M+H)+
Tryptophan
ME207926
6305
-
3.572
204.0876
TRYPTOPHAN (M+NA)+
Tryptophan
ME207927
6305
-
3.57
204.0877
TYROSINE (M+H)+
Tyrosine
ME207928
6057
-
1.287
181.0727
TYROSINE (M+NA)+
Tyrosine
ME207929
6057
-
1.287
181.0726
UDP-N-ACETYL-D-GALACTOSAMINE (M+NA)+
UDP-N-acetylgalactosamine
ME207930
23724461
-
0.989
607.077
URIDINE-5-MONOPHOSPHATE (M+H)+
UMP
ME207933
6030
-
0.841
324.0314
URIDINE (M+H)+
Uridine
ME207931
6029
-
1.33
244.0697
URIDINE (M+NA)+
Uridine
ME207932
6029
-
1.319
244.067
VALINE (M+H)+
Valine
ME207934
6287
-
0.863
117.0779
VALINE (M+NA)+
Valine
ME207935
6287
-
0.855
117.0768
XANTHOSINE (M+H)+
Xanthosine
ME207936
64959
-
2.165
284.0765
NORADRENALINE (M+H)+[-H2O]
Xi-Norepinephrine
ME207889
951
-
0.578
169.0729
PROCOLLAGEN 5-HYDROXY-L-LYSINE (M+H)+
-
ME207903
83228
-
0.512
162.0994
PROCOLLAGEN 5-HYDROXY-L-LYSINE (M+H)+[-H2O]
-
ME207904
83228
-
0.675
162.1023
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