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Return to study ST000714 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
N-ACETYL--GLUTAMIC ACID (M-H)-
N-Acetylglutamic acid
ME202049
185
-
1.31
189.0629
ADIPIC ACID (M-H)-
Adipic acid
ME201988
196
-
3.5
146.0585
L-[15N]ANTHRANILIC ACID [ISTD] (M-H)-
2-Aminobenzoic acid
ME202039
227
-
5.34
138.0447
BENZOIC ACID #2 (M-H)-
Benzoic acid
ME201995
243
-
8.25
122.0367
BENZOIC ACID (M-H)-
Benzoic acid
ME201996
243
-
4.97
122.0364
CITRIC ACID (M-H)-
Citric acid
ME202000
311
-
1.06
192.0268
SALICYLATE #2 (M-H)-
Salicylic acid
ME202079
338
-
8.15
138.0329
PIMELIC ACID (M-H)-
Pimelic acid
ME202072
385
-
5.65
160.0731
CREATINE (M-H)-
Creatine
ME202001
586
-
0.72
131.0687
SERINE (M-H)-
Serine
ME202081
617
-
0.66
105.0422
GLUTARIC ACID (M-H)-
Glutaric acid
ME202023
743
-
2.04
132.0419
GLYCINE (M-H)-
Glycine
ME202027
750
-
0.69
75.0323
HYPOXANTHINE (M-H)-
Hypoxanthine
ME202033
790
-
1.11
136.0367
OROTIC ACID (M-H)-
Orotic acid
ME202064
967
-
0.76
156.0165
OXALOACETIC ACID (M-H)-[-H2O]
Oxaloacetic acid
ME202065
970
-
0.62
132.0035
4-NITROPHENOL (M-H)-
4-Nitrophenol
ME201983
980
-
7.04
139.0268
PALMITIC ACID (M-H)-
Palmitic acid
ME202066
985
-
22.9
256.2406
ETHANOLAMINE PHOSPHATE (M-H)-
Phosphoethanolamine
ME202015
1015
-
0.82
141.0188
SUCCINIC ACID (M-H)-
Succinic acid
ME202085
1110
-
1.31
118.0267
THYMINE (M-H)-
Thymine
ME202090
1135
-
1.73
126.0424
XANTHINE (M-H)-
Xanthine
ME202102
1188
-
1.17
152.0331
3-HYDROXY-3-METHYLGLUTARIC ACID (M-H)-
3-Hydroxymethylglutaric acid
ME201981
1662
-
1.62
162.0522
HOMOVANILLIC ACID (2M-H)-
Homovanillic acid
ME202031
1738
-
5.69
182.0589
AZELAIC ACID (M-H)-
Azelaic acid
ME201993
2266
-
10.69
188.1048
GLYCEROL 2-PHOSPHATE (M-H)-
sn-Glycero-2-phosphate
ME202025
2526
-
0.79
172.0145
DECANOIC ACID (M-H)-
Capric acid
ME202007
2969
-
19.84
172.1464
LAURIC ACID (M-H)-
Lauric acid
ME202040
3893
-
21.79
200.1775
SEBACIC ACID (M-H)-
Sebacic acid
ME202080
5192
-
12.93
202.1203
STEARIC ACID (M-H)-
Stearic acid
ME202083
5281
-
23.22
284.272
RIBOSE (M+CL)-
Ribose
ME202077
5779
-
0.72
150.0535
THYMIDINE (M+CL)-
Thymidine
ME202087
5789
-
2.77
242.0905
THYMIDINE (M-H)-
Thymidine
ME202088
5789
-
2.77
242.09
GLUCOSE (M+CL)-
Glucose
ME202020
5793
-
0.7
180.0649
NAD (M-H)-
NAD
ME202058
5893
-
1.08
663.1085
D-GLUCOSE 6-PHOSPHATE (M-H)-
Glucose 6-phosphate
ME202006
5958
-
0.81
260.0304
ASPARTIC ACID (M-H)-
Aspartic acid
ME201992
5960
-
0.68
133.0372
SUCROSE (M+CL)-
Sucrose
ME202086
5988
-
0.73
342.123
INOSINE (M-H)-
Inosine
ME202034
6021
-
1.86
268.0812
URIDINE (M+CL)-
Uridine
ME202098
6029
-
1.31
244.0709
URIDINE (M-H)-
Uridine
ME202099
6029
-
1.39
244.0696
URIDINE-5-MONOPHOSPHATE (M-H)-
UMP
ME202100
6030
-
0.86
324.0334
EDTA (M-H)-
Edetic acid
ME202012
6049
-
1.19
292.0939
TYROSINE (M-H)-
Tyrosine
ME202096
6057
-
1.38
181.0735
ADENOSINE 5'-MONOPHOSPHATE (2M-H)+
AMP
ME201986
6083
-
1.01
347.0593
ADENOSINE 5'-MONOPHOSPHATE (M-H)-
AMP
ME201987
6083
-
1.01
347.0622
METHIONINE (M-H)-
Methionine
ME202046
6137
-
0.85
149.049
PHENYLALANINE (M-H)-
Phenylalanine
ME202070
6140
-
2.51
165.079
CYTIDINE (M-H)-
Cytidine
ME202003
6175
-
0.72
243.0838
MANNITOL (M-H)-
Mannitol
ME202045
6251
-
0.73
182.0771
L-HISTIDINE (M-H)-
Histidine
ME202037
6274
-
0.66
155.0692
VALINE (M-H)-
Valine
ME202101
6287
-
0.83
117.0784
TRYPTOPHAN (2M-H)-
Tryptophan
ME202094
6305
-
3.64
204.0873
TRYPTOPHAN (M-H)-
Tryptophan
ME202095
6305
-
3.65
204.0894
ISOLEUCINE (M-H)-
Isoleucine
ME202035
6306
-
1.54
131.0941
L-ARGININE (M-H)-
Arginine
ME202036
6322
-
0.66
174.1116
PROPENOIC ACID (M-H)-
Propenoic acid
ME202073
6581
-
1.28
72.0208
PANTOTHENIC ACID (M+CL)-
Pantothenic acid
ME202068
6613
-
3.22
219.1096
PANTOTHENIC ACID (M-H)-
Pantothenic acid
ME202069
6613
-
3.22
219.1109
GUANOSINE (M-H)-
Guanosine
ME202028
6802
-
1.86
283.0899
5-OXOPROLINE (M-H)-
Pyroglutamic acid
ME201985
7405
-
1.15
129.0427
NONANOIC ACID (M-H)-
Pelargonic acid
ME202060
8158
-
18.33
158.1304
BEHENIC ACID (M-H)-
Behenic acid
ME201994
8215
-
24.1
340.3334
SUBERIC ACID (M-H)-
Suberic acid
ME202084
10457
-
8.19
174.0886
HEPTADECANOIC ACID (M-H)-
Margaric acid
ME202029
10465
-
23
270.2556
ARACHIDIC ACID (M-H)-
Arachidic acid
ME201990
10467
-
23.62
312.3027
GLUCONIC ACID (M-H)-
Gluconic acid
ME202019
10690
-
0.72
196.0581
MYRISTIC ACID (M-H)-
Myristic acid
ME202047
11005
-
22.5
228.2088
TRIDECANOIC ACID (M-H)-
Tridecylic acid
ME202093
12530
-
22.2
214.1925
HOMOSERINE (M-H)-
Homoserine
ME202030
12647
-
0.69
119.0577
DEOXYURIDINE (M+CL)-
Deoxyuridine
ME202009
13712
-
1.67
228.0748
CYTIDINE 5'-DIPHOSPHOCHOLINE (2M-H)-
CDP-choline
ME202004
13804
-
0.61
488.1076
CYTIDINE 5'-DIPHOSPHOCHOLINE (M+CL)-
CDP-choline
ME202005
13804
-
0.74
488.1093
TRICARBALLYLIC ACID (M-H)-
1,2,3-Propanetricarboxylic acid
ME202092
14925
-
1.34
176.0313
4-ACETAMIDOBUTANOIC ACID (M-H)-
4-Acetamidobutanoic acid
ME201982
18189
-
1.79
145.073
GDPMANNOSE (M-H)-
GDP-mannose
ME202018
18396
-
0.86
605.0879
GLUTAMIC ACID (M-H)-
Glutamic acid
ME202022
33032
-
0.69
147.0537
ADP-RIBOSE (M-H)-
ADP-ribose
ME201989
33576
-
0.89
559.0675
N-ACETYL-DL-SERINE (M-H)-
N-Acetylserine
ME202052
65249
-
0.84
147.0527
GLUTATHIONE (OXIDIZED) (M-H)-
Glutathione
ME202024
65359
-
1.37
612.1528
CYSTEIC ACID (M-H)-
Cysteic acid
ME202002
72886
-
0.73
187.0187
N-ACETYL-L-PHENYLALANINE (M-H)-
N-Acetylphenylalanine
ME202055
74839
-
7.63
207.0887
N-ACETYL-L-LEUCINE (M-H)-
N-Acetylleucine
ME202054
75619
-
7.08
173.1045
OMEGA-HYDROXYDODECANOIC ACID (M-H)-
12-Hydroxy lauric acid
ME202063
79034
-
17.02
216.1723
GLYCEROL MYRISTATE (M+CL)-
MG 14:0
ME202026
79050
-
22.19
302.2487
N-ACETYL-L-ALANINE (M-H)-
N-Acetylalanine
ME202053
88064
-
1.51
131.0581
GLUCURONIC ACID (M-H)-
Glucuronic acid
ME202021
94715
-
0.73
194.0421
N-ALPHA-ACETYL-L-ASPARAGINE (M-H)-
N-Acetylasparagine
ME202057
99715
-
0.76
174.0622
EPIBRASSINOLIDE [ISTD] (M+CL)-
24-epi-Brassinolide
ME202013
115196
-
19.81
480.345
DEOXYCHOLIC ACID (M-H)-
Deoxycholic acid
ME202008
222528
-
21.71
392.2924
MALIC ACID (M-H)-
Malic acid
ME202044
222656
-
0.81
134.0219
MALIC ACID (M-H)+[-H2O]
Malic acid
ME202043
222656
-
0.78
134.0225
S-ADENOSYL-L-HOMOCYSTEINE (M-H)-
S-Adenosylhomocysteine
ME202078
439155
-
1.58
384.121
5'-METHYLTHIOADENOSINE (M+CL)-
5'-Methylthioadenosine
ME201984
439176
-
4.54
297.0892
2-DEOXY-D-GLUCOSE (M+CL)-
2-Deoxy-glucose
ME201977
439268
-
0.84
164.0685
SN-GLYCERO-3-PHOSPHOCHOLINE (M+CL)-
sn-Glycero-3-phosphocholine
ME202082
439285
-
0.72
257.1033
O-SUCCINYL-L-HOMOSERINE (M-H)-
o-Succinylhomoserine
ME202061
439406
-
1.04
219.0738
3-(4-HYDROXYPHENYL)LACTIC ACID (M-H)-
Hydroxyphenyllactic acid
ME201980
440177
-
3.8
182.0582
TRANS-ACONITIC ACID (M-H)-
trans-Aconitic acid
ME202091
444212
-
1.19
174.0162
MALEIC ACID (M-H)-
Maleic acid
ME202042
444266
-
1.12
116.0108
RETINOIC ACID (M-H)-
Retinoic acid
ME202074
444795
-
22.31
300.2102
N-ACETYLNEURAMINIC ACID (M-H)-
N-Acetylneuraminic acid
ME202056
444885
-
0.72
309.1062
ARACHIDONIC ACID (M-H)-
Arachidonic acid
ME201991
444899
-
22.75
304.2403
FUMARIC ACID (2M-H)-
Fumaric acid
ME202016
444972
-
1.28
116.0113
FUMARIC ACID (M-H)-
Fumaric acid
ME202017
444972
-
1.28
116.0108
DIPALMITOYL PHOSPHATIDYLETHANOLAMINE (M-H)-
PE 16:0/16:0
ME202011
445468
-
24.63
691.5157
PALMITOLEIC ACID (M-H)-
Palmitoleic acid
ME202067
445638
-
22.63
254.2248
OLEIC ACID (M-H)-
Oleic acid
ME202062
445639
-
22.98
282.2565
N-ACETYL-D-GLUCOSAMINE (M+CL)-
N-Acetylglucosamine
ME202050
446101
-
0.72
221.0909
N-ACETYL-DL-METHIONINE (M-H)-
N-Acetylmethionine
ME202051
448580
-
4.01
191.0612
ZEATIN [ISTD] (M+CL)-
trans-Zeatin
ME202103
449093
-
3.95
219.1118
ZEATIN [ISTD] (M-H)-
trans-Zeatin
ME202104
449093
-
3.95
219.112
RIBOFLAVIN (M+CL)-
Riboflavin
ME202075
493570
-
7.65
376.1405
RIBOFLAVIN (M-H)-
Riboflavin
ME202076
493570
-
7.66
376.1394
2-METHYLMALEIC ACID (M-H)-
Citraconic acid
ME201979
643798
-
1.81
130.0261
2-HYDROXY-3-METHYLBUTYRIC ACID (M-H)-
2-Hydroxy-3-methylbutyric acid
ME201978
853180
-
3.47
118.0622
DIHYDROOROTIC ACID (M-H)-
Dihydroorotic acid
ME202010
1149667
-
0.75
158.03
LINOLEIC ACID (M-H)-
Linoleic acid
ME202041
5280450
-
22.77
280.2403
ERUCIC ACID (M-H)-
cis-Erucic acid
ME202014
5281116
-
23.69
338.3184
MYRISTOLEIC ACID (M-H)-
Myristoleic acid
ME202048
5281119
-
22.09
226.1933
NERVONIC ACID (M-H)-
Nervonic acid
ME202059
5281120
-
24.17
366.3498
CIS-11-EICOSENOIC ACID (M-H)-
cis-Gondoic acid
ME201999
5282768
-
23.3
310.2879
HYODEOXYCHOLIC ACID (M-H)-
Hyodeoxycholic acid
ME202032
5283820
-
22.84
392.2957
18:0 LYSO-PE (M-H)-
LPE 18:0
ME201976
9547068
-
22.66
481.3163
PHYTANIC ACID (M-H)-
Phytanic acid
ME202071
10380830
-
23.29
312.2997
BIOTIN (M-H)-
Biotin
ME201997
11966127
-
6.24
244.0883
THYMIDINE 5'-MONOPHOSPHATE (M-H)-
TMP
ME202089
12803287
-
1.55
322.0573
L-TRYPTOPHAN-15N2 [ISTD] (M-H)-
Tryptophan
ME202038
16217285
-
3.65
206.0842
16:0-18:0 PC (M+CL)-
PC 16:0_18:0
ME201975
18631368
-
25.44
761.5976
UDP-N-ACETYL-D-GALACTOSAMINE (M-H)-
UDP-N-acetylgalactosamine
ME202097
23724461
-
0.85
607.0822
C12 GALACTOSYL(BETA) CERAMIDE (D18:1/12:0) (M+CL)-
-
ME201998
46891735
-
23.27
643.5025
Analysis: Reversed phase POSITIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
O-PHOSPHO-DL-SERINE (M+H)+
DL-O-Phosphoserine
ME202237
106
-
0.71
185.0074
O-PHOSPHO-DL-SERINE (M+NA)+
DL-O-Phosphoserine
ME202238
106
-
0.67
185.0055
5-AMINOPENTANOIC ACID (M+H)+
5-Aminopentanoic acid
ME202124
138
-
0.79
117.0779
N-ACETYL-GLUTAMIC ACID (M+H)+
N-Acetylglutamic acid
ME202219
185
-
1.29
189.0628
N-ACETYL-GLUTAMIC ACID (M+NA)+
N-Acetylglutamic acid
ME202220
185
-
1.26
189.0617
ADENINE (M+H)+
Adenine
ME202128
190
-
0.74
135.0531
CHOLINE M+
Choline
ME202148
305
-
0.67
104.1065
CITRIC ACID (M+NA)+
Citric acid
ME202151
311
-
1.05
192.0251
CREATINE (M+H)+
Creatine
ME202155
586
-
0.71
131.0673
CYTOSINE (M+H)+
Cytosine
ME202161
597
-
0.73
111.0424
CYTOSINE (M+NA)+
Cytosine
ME202162
597
-
0.75
111.0418
SERINE (M+H)+
Serine
ME202264
617
-
0.89
105.0417
ETHANOLAMINE (M+NA)+
Ethanolamine
ME202175
700
-
0.68
61.0533
GUANINE (M+H)+
Guanine
ME202189
764
-
0.82
151.0494
HYPOXANTHINE (M+H)+
Hypoxanthine
ME202193
790
-
1.13
136.0389
HYPOXANTHINE (M+NA)+
Hypoxanthine
ME202194
790
-
1.15
136.0366
PIPECOLIC ACID (M+NA)+
Pipecolic acid
ME202249
849
-
0.78
129.0771
NICOTINAMIDE (M+H)+
Niacinamide
ME202233
936
-
1.12
122.0478
NORADRENALINE (M+H)+
Xi-Norepinephrine
ME202236
951
-
0.75
169.0724
CHOLINE PHOSPHATE (M+H)+
Choline phosphate
ME202149
1014
-
0.69
183.0654
CHOLINE PHOSPHATE (M+NA)+
Choline phosphate
ME202150
1014
-
0.67
183.0632
ETHANOLAMINE PHOSPHATE (M+H)+
Phosphoethanolamine
ME202176
1015
-
0.87
141.0176
ETHANOLAMINE PHOSPHATE (M+NA)+
Phosphoethanolamine
ME202177
1015
-
0.84
141.0203
PUTRESCINE (M+H)+
Putrescine
ME202253
1045
-
0.56
88.1004
PUTRESCINE (M+NA)+
Putrescine
ME202254
1045
-
0.58
88.0993
PYRIDOXAL (M+H)+
Pyridoxal
ME202255
1050
-
1
167.0556
PYRIDOXINE (M+H)+
Pyridoxine
ME202256
1054
-
1.15
169.0735
SPERMIDINE (M+H)+
Spermidine
ME202266
1102
-
0.58
145.1576
THIAMIN M+
Thiamine
ME202271
1130
-
0.7
265.1103
THIAMIN M+[-C6H9NOS]
Thiamine
ME202272
1130
-
0.7
265.1087
TRIMETHYLAMINE (M+H)+
Trimethylamine
ME202276
1146
-
0.68
59.0727
URACIL (M+H)+
Uracil
ME202281
1174
-
0.99
112.0265
XANTHINE (M+H)+
Xanthine
ME202288
1188
-
1.18
152.031
AZELAIC ACID (M+H)+
Azelaic acid
ME202136
2266
-
10.59
188.1029
AZELAIC ACID (M+H)+[-H2O]
Azelaic acid
ME202137
2266
-
10.59
188.1052
AZELAIC ACID (M+NA)+
Azelaic acid
ME202138
2266
-
10.59
188.1061
DEBRISOQUIN (M+H)+
Debrisoquine
ME202163
2966
-
5.06
175.1116
DECANOIC ACID (2M+H)+
Capric acid
ME202164
2969
-
22.8
172.1458
DECANOIC ACID (2M+NA)+
Capric acid
ME202165
2969
-
22.8
172.148
DOXYLAMINE (M+H)+
Doxylamine
ME202173
3162
-
5.84
270.1754
N-METHYL-ASPARTIC ACID (M+NA)+
N-Methyl-D-aspartic acid
ME202229
4376
-
0.67
147.0503
PROTOPORPHYRIN (M+H)+
Protoporphyrin
ME202252
4971
-
22.95
562.262
SEBACIC ACID (M+H)+[-H2O]
Sebacic acid
ME202261
5192
-
12.83
202.1174
SEBACIC ACID (M+NA)+
Sebacic acid
ME202262
5192
-
12.83
202.1215
CORTISOL 21-ACETIC ACID (M+H)+
Cortisol 21-acetate
ME202154
5744
-
15.74
404.2236
CORTICOSTERONE (M+H)+
Corticosterone
ME202152
5753
-
15.28
346.2126
CORTICOSTERONE (M+NA)+
Corticosterone
ME202153
5753
-
15.29
346.2141
THYMIDINE (M+NA)+
Thymidine
ME202275
5789
-
2.7
242.0901
GLUCOSE (2M+NA)+
Glucose
ME202181
5793
-
0.69
180.0607
GLUCOSE (M+NA)+
Glucose
ME202182
5793
-
0.68
180.0615
NAD (M+2H)+2
NAD
ME202230
5893
-
1.05
663.1096
NAD (M+H)+
NAD
ME202231
5893
-
1.05
663.1076
NAD (M+NA)+
NAD
ME202232
5893
-
1.05
663.0996
ASPARTIC ACID (M+H)+
Aspartic acid
ME202134
5960
-
0.68
133.0361
ASPARTIC ACID (M+NA)+
Aspartic acid
ME202135
5960
-
0.66
133.0361
LYSINE (M+H)+
Lysine
ME202209
5962
-
0.57
146.1057
LYSINE (M+NA)+
Lysine
ME202210
5962
-
0.59
146.105
CHOLESTEROL (M+H)+[-H2O]
Cholesterol
ME202147
5997
-
24.48
386.3554
INOSINE (M+H)+
Inosine
ME202195
6021
-
1.77
268.0846
URIDINE (M+H)+
Uridine
ME202282
6029
-
1.35
244.0711
URIDINE (M+NA)+
Uridine
ME202283
6029
-
1.3
244.0689
URIDINE-5-MONOPHOSPHATE (2M+H)+
UMP
ME202284
6030
-
0.83
324.0336
URIDINE-5-MONOPHOSPHATE (M+H)+
UMP
ME202285
6030
-
0.89
324.0378
FOLIC ACID (M+H)+
Folic acid
ME202179
6037
-
5.93
441.1441
TYROSINE (M+H)+
Tyrosine
ME202279
6057
-
1.34
181.0737
ADENOSINE 5'-MONOPHOSPHATE #2 (M+H)+
AMP
ME202130
6083
-
1.31
347.0634
ADENOSINE 5'-MONOPHOSPHATE (2M+H)+
AMP
ME202131
6083
-
0.99
347.0598
ADENOSINE 5'-MONOPHOSPHATE (M+H)+
AMP
ME202132
6083
-
0.99
347.0631
METHIONINE (M+H)+
Methionine
ME202212
6137
-
1.02
149.0508
PHENYLALANINE (M+H)+
Phenylalanine
ME202248
6140
-
2.57
165.0782
CYTIDINE (2M+H)+
Cytidine
ME202156
6175
-
0.87
243.0862
CYTIDINE (M+H)+
Cytidine
ME202157
6175
-
0.79
243.084
L-HISTIDINE (M+H)+
Histidine
ME202204
6274
-
0.65
155.0682
L-HISTIDINE (M+NA)+
Histidine
ME202205
6274
-
0.65
155.0684
VALINE (M+H)+
Valine
ME202286
6287
-
0.91
117.0789
VALINE (M+NA)+
Valine
ME202287
6287
-
0.91
117.0777
THREONINE (M+H)+[-H2O]
Threonine
ME202273
6288
-
0.7
119.0575
TRYPTOPHAN (M+H)+
Tryptophan
ME202277
6305
-
3.58
204.09
TRYPTOPHAN (M+NA)+
Tryptophan
ME202278
6305
-
3.58
204.0898
ISOLEUCINE (M+H)+
Isoleucine
ME202198
6306
-
1.51
131.0944
ISOLEUCINE (M+NA)+
Isoleucine
ME202199
6306
-
1.6
131.0932
L-ARGININE (M+H)+
Arginine
ME202202
6322
-
0.65
174.1099
L-ARGININE (M+NA)+
Arginine
ME202203
6322
-
0.64
174.1108
PANTOTHENIC ACID (M+H)+
Pantothenic acid
ME202246
6613
-
3.17
219.1111
PANTOTHENIC ACID (M+NA)+
Pantothenic acid
ME202247
6613
-
3.17
219.1115
GUANOSINE (M+H)+
Guanosine
ME202190
6802
-
1.84
283.0902
GUANOSINE 5'-PHOSPHATE (M+H)+
GMP
ME202191
6804
-
1.02
363.0583
5-OXOPROLINE (M+H)+
Pyroglutamic acid
ME202125
7405
-
1.18
129.0426
5-OXOPROLINE (M+NA)+
Pyroglutamic acid
ME202126
7405
-
1.18
129.0438
DIETHANOLAMINE (M+H)+
Diethanolamine
ME202171
8113
-
0.66
105.0777
NONANOIC ACID (M+NA)+
Pelargonic acid
ME202235
8158
-
13.04
158.1316
BIS(2-ETHYLHEXYL)PHTHALIC ACID (M+H)+
bis(2-Ethylhexyl)phthalic acid
ME202142
8343
-
23.11
390.2789
BIS(2-ETHYLHEXYL)PHTHALIC ACID (M+NA)+
bis(2-Ethylhexyl)phthalic acid
ME202143
8343
-
23.11
390.2777
INOSINE 5'-PHOSPHATE (M+NA)+
IMP
ME202196
8582
-
0.98
348.0492
3-METHOXYTYROSINE (M+H)+
3-Methoxytyrosine
ME202119
9307
-
1.91
211.0829
SUBERIC ACID (M+H)+[-H2O]
Suberic acid
ME202268
10457
-
8.1
174.0883
SUBERIC ACID (M+NA)+
Suberic acid
ME202269
10457
-
8.1
174.0906
OCTACOSANOIC ACID (M+H)+
Montanic acid
ME202239
10470
-
23.44
424.4295
CARNITINE (M+H)+
Carnitine
ME202146
10917
-
0.7
161.1031
N-CYCLOHEXYLFORMAMIDE (M+H)+
N-Cyclohexylformamide
ME202227
13017
-
7.75
127.0998
N-CYCLOHEXYLFORMAMIDE (M+NA)+
N-Cyclohexylformamide
ME202228
13017
-
7.75
127.0996
DEOXYCYTIDINE (M+H)+
Deoxycytidine
ME202167
13711
-
1.01
227.0887
DEOXYURIDINE (M+NA)+
Deoxyuridine
ME202168
13712
-
1.68
228.0753
CYTIDINE 5'-DIPHOSPHOCHOLINE (M+H)+
CDP-choline
ME202158
13804
-
0.72
488.1084
CYTIDINE 5'-DIPHOSPHOCHOLINE (M+K)+
CDP-choline
ME202159
13804
-
0.72
488.1074
CYTIDINE 5'-DIPHOSPHOCHOLINE (M+NA)+
CDP-choline
ME202160
13804
-
0.72
488.1082
ALPHA-TOCOPHEROL (M+H)+
alpha-Tocopherol
ME202133
14985
-
24.44
430.378
4-ACETAMIDOBUTANOIC ACID (M+NA)+
4-Acetamidobutanoic acid
ME202120
18189
-
1.77
145.0738
ACETYLCARNITINE (M+H)+
CAR 2:0
ME202127
18230
-
0.99
203.1148
GLUTAMIC ACID (M+H)+[-H2O]
Glutamic acid
ME202183
33032
-
0.67
147.0522
ADENOSINE (M+H)+
Adenosine
ME202129
60961
-
1.79
267.0975
XANTHOSINE (M+NA)+
Xanthosine
ME202289
64959
-
2.34
284.0734
2'-DEOXYINOSINE (M+NA)+
Deoxyinosine
ME202116
65058
-
2.09
252.0877
N-ACETYL-ASPARTIC ACID (M+NA)+
N-Acetylaspartic acid
ME202214
65065
-
1.01
175.0495
25-HYDROXYCHOLESTEROL (M+H)+[-H2O]
25-Hydroxycholesterol
ME202118
65094
-
22.85
402.3524
N-ACETYL-DL-SERINE (M+H)+[-H2O]
N-Acetylserine
ME202218
65249
-
0.92
147.0531
GLUTATHIONE OXIDIZED (M+H)+
Glutathione
ME202184
65359
-
1.35
612.1526
GLUTATHIONE OXIDIZED (M+H2)+2
Glutathione
ME202185
65359
-
1.34
612.1531
N-ACETYL-L-PHENYLALANINE (M+H)+
N-Acetylphenylalanine
ME202222
74839
-
7.53
207.0893
N-ACETYL-L-PHENYLALANINE (M+NA)+
N-Acetylphenylalanine
ME202223
74839
-
7.52
207.0903
N-ACETYL-L-LEUCINE (M+NA)+
N-Acetylleucine
ME202221
75619
-
7.01
173.1057
GLYCEROL MYRISTATE (M+H)+
MG 14:0
ME202186
79050
-
22.11
302.2411
GLYCEROL MYRISTATE (M+H)+[-H2O]
MG 14:0
ME202187
79050
-
22.15
302.2448
GLYCEROL MYRISTATE (M+NA)+
MG 14:0
ME202188
79050
-
22.14
302.2458
1-METHYLXANTHINE (M+H)+
1-Methylxanthine
ME202105
80220
-
2.46
166.0492
1-METHYLXANTHINE (M+NA)+
1-Methylxanthine
ME202106
80220
-
2.47
166.0503
RIBITOL (M+NA)+
Ribitol
ME202257
94154
-
0.67
152.0662
METHYL BETA-D-GALACTOSIDE (M+NA)+
Methyl beta-D-galactoside
ME202213
94214
-
0.81
194.0781
SELENOMETHIONINE (M+H)+
Selenomethionine
ME202263
105024
-
1.27
196.9991
N-ACETYLPUTRESCINE (M+H)+
N-Acetylputrescine
ME202226
122356
-
0.7
130.1091
OCTANOYLCARNITINE (*) (M+H)+
CAR 8:0
ME202240
123701
-
11.77
287.2101
PROLINE (M+H)+
Proline
ME202250
145742
-
0.73
115.0622
PROLINE (M+NA)+
Proline
ME202251
145742
-
0.72
115.0618
KYNURENINE (M+H)+
Kynurenine
ME202201
161166
-
2.18
208.084
ISO-BUTYRYLCARNITINE (*) (M+H)+
CAR 3:0;2Me
ME202197
168379
-
2.92
231.1474
ISOVALERYLCARNITINE (*) (M+H)+
CAR 4:0;3Me
ME202200
169235
-
4.7
245.1628
ERYTHRITOL (M+NA)+
Erythritol
ME202174
222285
-
0.7
122.0581
DEOXYCHOLIC ACID (M+NA)+
Deoxycholic acid
ME202166
222528
-
21.66
392.2904
MALIC ACID (M+NA)+
Malic acid
ME202211
222656
-
0.86
134.021
LANOSTEROL (M+NA)+
Lanosterol
ME202207
246983
-
23.77
426.3852
S-ADENOSYL-L-HOMOCYSTEINE (M+H)+
S-Adenosylhomocysteine
ME202260
439155
-
1.55
384.123
5'-METHYLTHIOADENOSINE (M+H)+
5'-Methylthioadenosine
ME202122
439176
-
4.47
297.0903
5'-METHYLTHIOADENOSINE (M+NA)+
5'-Methylthioadenosine
ME202123
439176
-
4.47
297.0905
DGDP (M+H)+
dGDP
ME202170
439220
-
1.18
427.0313
SN-GLYCERO-3-PHOSPHOCHOLINE (M+H)+
sn-Glycero-3-phosphocholine
ME202265
439285
-
0.69
257.1013
DESMOSTEROL (M+H)+[-H2O]
Desmosterol
ME202169
439577
-
24.11
384.3401
TAUROLITHOCHOLIC ACID (M+NA)+
Taurolithocholic acid
ME202270
439763
-
21.71
483.2933
NICOTINAMIDE HYPOXANTHINE DINUCLEOTIDE (M+H)+
Nicotinamide purin-6-ol-dinucleotide
ME202234
440334
-
1.06
664.1055
N-ACETYLNEURAMINIC ACID (M+H)+
N-Acetylneuraminic acid
ME202224
444885
-
0.71
309.1056
N-ACETYLNEURAMINIC ACID (M+NA)+
N-Acetylneuraminic acid
ME202225
444885
-
0.71
309.1047
DIPALMITOYL PHOSPHATIDYLETHANOLAMINE (M+H)+
PE 16:0/16:0
ME202172
445468
-
24.59
691.5189
OLEIC ACID (M+H)+
Oleic acid
ME202243
445639
-
22.54
282.2568
FERULATE #2 (M+H)+
trans-Ferulic acid
ME202178
445858
-
8.16
194.0562
N-ACETYL-D-GLUCOSAMINE (M+H)+
N-Acetylglucosamine
ME202215
446101
-
0.73
221.0866
N-ACETYL-DL-METHIONINE (M+H)+
N-Acetylmethionine
ME202216
448580
-
3.94
191.0581
N-ACETYL-DL-METHIONINE (M+NA)+
N-Acetylmethionine
ME202217
448580
-
3.95
191.0609
16:0 LYSO PC (M+H)+
LPC 16:0
ME202108
460602
-
22.32
495.3339
16:0 LYSO PC (M+NA)+
LPC 16:0
ME202109
460602
-
22.31
495.3364
RIBOFLAVIN (M+H)+
Riboflavin
ME202258
493570
-
7.58
376.1389
RIBOFLAVIN (M+NA)+
Riboflavin
ME202259
493570
-
7.58
376.14
4-HYDROXY-3-METHOXYPHENYLGLYCOL (M+H)+[-H2O]
Vanylglycol
ME202121
688030
-
2.41
184.0719
HEXANOYLCARNITINE (*) M+
CAR 6:0
ME202192
3246939
-
7.05
260.1865
SPHINGOSINE (M+H)+
Sphingosine
ME202267
5280335
-
20.25
299.2811
GAMMA-LINOLENIC ACID (M+NA)+
gamma-Linolenic acid
ME202180
5280933
-
22.86
278.2227
THROMBOXANE B2 (M+NA)+
TXB2
ME202274
5283137
-
16.86
370.2283
OLEAMIDE (M+H)+
Oleamide
ME202241
5283387
-
22.63
281.2716
OLEAMIDE (M+NA)+
Oleamide
ME202242
5283387
-
22.63
281.2717
CALCIDIOL (M+H)+[-H2O]
25-Hydroxyvitamin D3
ME202145
5283731
-
22.59
400.3355
OLEOYL-GLYCEROL (M+H)+
MG 18:1
ME202244
5319879
-
22.72
356.2923
OLEOYL-GLYCEROL (M+NA)+
MG 18:1
ME202245
5319879
-
22.72
356.2946
LUMICHROME (M+NA)+
Lumichrome
ME202208
5326566
-
10.86
242.0816
10-HYDROXYDECANOIC ACID (M+NA)+
10-Hydroxydecanoic acid
ME202107
6991989
-
13.62
188.1408
18:0 LYSO-PE (2M+H)+
LPE 18:0
ME202112
9547068
-
22.72
481.3156
18:0 LYSO-PE (2M+NA)+
LPE 18:0
ME202113
9547068
-
22.56
481.3125
18:0 LYSO-PE (M+H)+
LPE 18:0
ME202114
9547068
-
22.63
481.3198
18:0 LYSO-PE (M+NA)+
LPE 18:0
ME202115
9547068
-
22.72
481.3195
BIOTIN (M+H)+
Biotin
ME202139
11966127
-
6.17
244.0885
BIOTIN (M+H)+[-H2O]
Biotin
ME202140
11966127
-
6.17
244.0859
BIOTIN (M+NA)+
Biotin
ME202141
11966127
-
6.16
244.0919
L-TRYPTOPHAN-15N2 [ISTD] (M+H)+
Tryptophan
ME202206
16217285
-
3.58
206.0844
16:0-18:0 PC (M+H)+
PC 16:0_18:0
ME202110
18631368
-
25.41
761.5844
16:0-18:0 PC (M+NA)+
PC 16:0_18:0
ME202111
18631368
-
25.47
761.5891
UDP-N-ACETYL-D-GALACTOSAMINE (M+NA)+
UDP-N-acetylgalactosamine
ME202280
23724461
-
0.81
607.0832
20:0 LYSO PC (M+H)+
LPC 20:0
ME202117
24779473
-
22.91
551.3982
BIS-GAMMA-GLUTAMYLCYSTINE (M+H)+
Bis-gamma-glutamylcystine
ME202144
90657696
-
1.01
498.1118
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