-
Notifications
You must be signed in to change notification settings - Fork 0
/
standards_dilution.txt
257 lines (257 loc) · 32.7 KB
/
standards_dilution.txt
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
59
60
61
62
63
64
65
66
67
68
69
70
71
72
73
74
75
76
77
78
79
80
81
82
83
84
85
86
87
88
89
90
91
92
93
94
95
96
97
98
99
100
101
102
103
104
105
106
107
108
109
110
111
112
113
114
115
116
117
118
119
120
121
122
123
124
125
126
127
128
129
130
131
132
133
134
135
136
137
138
139
140
141
142
143
144
145
146
147
148
149
150
151
152
153
154
155
156
157
158
159
160
161
162
163
164
165
166
167
168
169
170
171
172
173
174
175
176
177
178
179
180
181
182
183
184
185
186
187
188
189
190
191
192
193
194
195
196
197
198
199
200
201
202
203
204
205
206
207
208
209
210
211
212
213
214
215
216
217
218
219
220
221
222
223
224
225
226
227
228
229
230
231
232
233
234
235
236
237
238
239
240
241
242
243
244
245
246
247
248
249
250
251
252
253
254
255
256
257
mix name abbreviation HMDB.code formula POS NEG RT data_set sample operator version quality_POS quality_NEG note
1 Acetylhistidine acetylhistidine HMDB0032055 C8H11N3O3 [M+H]+ [M-H]- 180 2020_01_matrix_effect serum Mar Garcia-Aloy 2 2_medium 2_medium
1 Betaine betaine HMDB0000043 C5H11NO2 [M+H]+ [M+CHO2]- 166 2020_01_matrix_effect serum Mar Garcia-Aloy 2 2_medium 3_bad
1 C3 Carnitine carnitine_c3 HMDB0000824 C10H19NO4 NA NA NA 2020_01_matrix_effect serum Mar Garcia-Aloy 2 3_bad 3_bad
1 CDP CDP HMDB0001546 C9H15N3O11P2 NA [M-H]- 172 2020_01_matrix_effect serum Mar Garcia-Aloy 2 3_bad 2_medium
1 Creatine creatine HMDB0000064 C4H9N3O2 [M+H]+ [M-H]- 173 2020_01_matrix_effect serum Mar Garcia-Aloy 2 2_medium 3_bad
1 Dimethylglycine dimethylglycine HMDB0000092 C4H9NO2 [M+H]+ [M-H]- 177 2020_01_matrix_effect serum Mar Garcia-Aloy 2 2_medium 1_good
1 L-Glutamic Acid glutamic HMDB0000148 C5H9NO4 [M+H]+ [M-H]- 176 2020_01_matrix_effect serum Mar Garcia-Aloy 2 1_good 1_good
1 Glycerol glycerol HMDB0000131 C3H8O3 NA NA NA 2020_01_matrix_effect serum Vinicius 2 3_bad 3_bad
1 Myo-Inositol myoinositol HMDB0000211 C6H12O6 [M+Na]+ [M+CHO2]- 193 2020_01_matrix_effect serum Mar Garcia-Aloy 2 1_good 0_perfect
1 3-Phosphoglyceric Acid phosphoglyceric_3 HMDB0000807 C3H7O7P [M+H]+ [M-H]- 267 2020_01_matrix_effect serum Mar Garcia-Aloy 2 3_bad 2_medium
1 propionic acid propionic HMDB0000237 C3H6O2 NA [M-H]- 53 2020_01_matrix_effect serum Mar Garcia-Aloy 2 3_bad 3_bad
1 Pyruvic Acid pyruvic HMDB0000243 C3H4O3 NA [M-H]- 41 2020_01_matrix_effect serum Mar Garcia-Aloy 2 3_bad 2_medium
1 Suberic Acid suberic HMDB0000893 C8H14O4 [M+Na]+ [M-H]- 37 2020_01_matrix_effect serum Mar Garcia-Aloy 2 1_good 0_perfect
1 Uric acid uric HMDB0000289 C5H4N4O3 NA NA NA 2020_01_matrix_effect serum Vinicius 2 3_bad 3_bad
1 Xanthine xanthine HMDB0000292 C5H4N4O2 [M+H]+ [M-H]- 140 2020_01_matrix_effect serum Mar Garcia-Aloy 2 0_perfect 0_perfect
2 Ascorbic Acid ascorbic HMDB0000044 C6H8O6 [M+H]+ [M-H]- 128 2020_01_matrix_effect serum Mar Garcia-Aloy 2 1_good 1_good
2 C4 Carnitine carnitine_c4 HMDB0000736 C11H21NO4 [M+H]+ NA 37 2020_01_matrix_effect serum Mar Garcia-Aloy 2 2_medium 3_bad Sigma Aldrich 51085 (Isobutyryl-L-carnitine); chemical formula is of Butyrylcarnitine
2 Fructose fructose HMDB0000660 C6H12O6 [M+Na]+ [M-H]- 150 2020_01_matrix_effect serum Vinicius 2 2_medium 2_medium
2 Glycine glycine HMDB0000123 C2H5NO2 [M+H]+ [M-H]- 172 2020_01_matrix_effect serum Mar Garcia-Aloy 2 1_good 2_medium
2 cGMP GMP_c HMDB0001314 C10H12N5O7P [M+H]+ [M-H]- 217 2020_01_matrix_effect serum Mar Garcia-Aloy 2 1_good 1_good
2 Histidine histidine HMDB0000177 C6H9N3O2 [M+H]+ [M-H]- 188 2020_01_matrix_effect serum Mar Garcia-Aloy 2 0_perfect 0_perfect
2 Hydroxyproline hydroxyproline HMDB0000725 C5H9NO3 [M+H]+ [M-H]- 175 2020_01_matrix_effect serum Mar Garcia-Aloy 2 1_good 1_good
2 Hypoxanthine hypoxanthine HMDB0000157 C5H4N4O [M+H]+ [M-H]- 126 2020_01_matrix_effect serum Mar Garcia-Aloy 2 1_good 1_good
2 L-Kynurenine kynurenine HMDB0000684 C10H12N2O3 [M+H]+ [M-H]- 157 2020_01_matrix_effect serum Mar Garcia-Aloy 2 1_good 1_good
2 Lactic acid lactic HMDB0000190 C3H6O3 NA [M-H]- 38 2020_01_matrix_effect serum Mar Garcia-Aloy 2 3_bad 2_medium
2 1-Methylxanthine methylxanthine_1 HMDB0010738 C6H6N4O2 [M+H]+ [M-H]- 80 2020_01_matrix_effect serum Mar Garcia-Aloy 2 2_medium 2_medium
2 3-Nitrotyrosine nitrotyrosine HMDB0001904 C9H10N2O5 [M+H]+ [M-H]- 157 2020_01_matrix_effect serum Mar Garcia-Aloy 2 1_good 1_good
2 Phosphocreatine phosphocreatine HMDB0001511 C4H10N3O5P [M+H]+ [M-H]- 198 2020_01_matrix_effect serum Mar Garcia-Aloy 2 2_medium 2_medium
2 UDP-glucuronate UDP_glucuronate HMDB0000935 C15H22N2O18P2 [M+NH4]+ [M-H]- 323 2020_01_matrix_effect water Vinicius 2 3_bad 3_bad
2 Valine valine HMDB0000883 C5H11NO2 [M+H]+ [M-H]- 166 2020_01_matrix_effect serum Mar Garcia-Aloy 2 1_good 1_good
3 Acetyl-CoA acetylcoa HMDB0001206 C23H38N7O17P3S NA NA NA 2020_01_matrix_effect serum Mar Garcia-Aloy 2 3_bad 3_bad
3 Adenylosuccinic Acid adenylosuccinic HMDB0000536 C14H18N5O11P [M+H]+ [M-H]- 250 2020_01_matrix_effect serum Mar Garcia-Aloy 2 2_medium 2_medium
3 Alanine alanine HMDB0000161 C3H7NO2 [M+H]+ [M-H+HCOONa]- 170 2020_01_matrix_effect serum Mar Garcia-Aloy 2 1_good 1_good
3 Citrulline citrulline HMDB0000904 C6H13N3O3 [M+H]+ [M-H]- 182 2020_01_matrix_effect serum Mar Garcia-Aloy 2 1_good 1_good
3 Cytosine cytosine HMDB0000630 C4H5N3O [M+H]+ [M-H]- 153 2020_01_matrix_effect serum Mar Garcia-Aloy 2 1_good 1_good
3 Glucose glucose HMDB0000122 C6H12O6 [M+Na]+ [M+CHO2]- 167 2020_01_matrix_effect serum Mar Garcia-Aloy 2 2_medium 2_medium
3 Glutathione Oxidized glutathione_oxidized HMDB0003337 C20H32N6O12S2 [M+H]+ [M-H]- 212 2020_01_matrix_effect serum Mar Garcia-Aloy 2 1_good 1_good
3 Glycolic acid glycolic HMDB0000115 C2H4O3 NA [M-H]- 49 2020_01_matrix_effect serum Mar Garcia-Aloy 2 3_bad 2_medium
3 Guanine guanine HMDB0000132 C5H5N5O [M+H]+ [M-H]- 155 2020_01_matrix_effect serum Mar Garcia-Aloy 2 1_good 1_good
3 Isoleucine isoleucine HMDB0000172 C6H13NO2 [M+H]+ [M-H]- 155 2020_01_matrix_effect serum Mar Garcia-Aloy 2 2_medium 2_medium
3 Malonic acid malonic HMDB0000691 C3H4O4 NA [M-H]- 63 2020_01_matrix_effect serum Mar Garcia-Aloy 2 3_bad 2_medium
3 Niacinamide niacinamide HMDB0001406 C6H6N2O [M+H]+ NA 50 2020_01_matrix_effect serum Mar Garcia-Aloy 2 2_medium 3_bad
3 5-Oxoproline oxoproline HMDB0000267 C5H7NO3 [M+H]+ [M-H]- 71 2020_01_matrix_effect serum Mar Garcia-Aloy 2 2_medium 1_good
3 Palmitoylcarnitine palmitoylcarnitine HMDB0000222 C23H45NO4 [M+H]+ [M+CHO2]- 34 2020_01_matrix_effect water Mar Garcia-Aloy 2 2_medium 3_bad
3 UDP UDP HMDB0000295 C9H14N2O12P2 NA NA 238 2020_01_matrix_effect serum Mar Garcia-Aloy 2 3_bad 2_medium
4 Acetylalanine acetylalanine_NL HMDB0000766 C5H9NO3 [M+H]+ [M-H]- 37 2020_01_matrix_effect serum Mar Garcia-Aloy 2 1_good 2_medium
4 Allantoin allantoin HMDB0000462 C4H6N4O3 [M+H]+ [M-H]- 139 2020_01_matrix_effect serum Mar Garcia-Aloy 2 0_perfect 0_perfect
4 Gamma-Aminobutyric acid aminobutyric HMDB0000112 C4H9NO2 [M+H]+ NA 144 2020_01_matrix_effect serum Mar Garcia-Aloy 2 2_medium 2_medium
4 AMP AMP HMDB0000045 C10H14N5O7P [M+H]+ [2M-H]- 212 2020_01_matrix_effect serum Mar Garcia-Aloy 2 0_perfect 1_good
4 Glutamine glutamine HMDB0000641 C5H10N2O3 [M+H]+ [M-H]- 178 2020_01_matrix_effect serum Mar Garcia-Aloy 2 1_good 1_good
4 GMP GMP HMDB0001397 C10H14N5O8P [M+H]+ [M-H]- 229 2020_01_matrix_effect serum Mar Garcia-Aloy 2 1_good 1_good
4 Leucine leucine HMDB0000687 C6H13NO2 [M+H]+ [M-H]- 152 2020_01_matrix_effect serum Mar Garcia-Aloy 2 2_medium 2_medium
4 Phenylethylamine phenylethylamine HMDB0012275 C8H11N [M+H]+ NA 37 2020_01_matrix_effect serum Mar Garcia-Aloy 2 2_medium 3_bad
4 Propylene glycol propylene_glycol HMDB0001881 C3H8O2 NA NA NA 2020_01_matrix_effect serum Mar Garcia-Aloy 2 3_bad 3_bad
4 Putrescine putrescine HMDB0001414 C4H12N2 [M+H-NH3]+ NA 173 2020_01_matrix_effect serum Mar Garcia-Aloy 2 2_medium 3_bad
4 Pyridoxine pyridoxine HMDB0000239 C8H11NO3 [M+H]+ [M-H]- 123 2020_01_matrix_effect serum Mar Garcia-Aloy 2 2_medium 2_medium
4 Riboflavin riboflavin HMDB0000244 C17H20N4O6 [M+H]+ [M-H]- 145 2020_01_matrix_effect serum Mar Garcia-Aloy 2 0_perfect 0_perfect
4 Ribose ribose HMDB0000283 C5H10O5 NA [M-H]- 100 2020_01_matrix_effect serum Mar Garcia-Aloy 2 3_bad 2_medium
4 SAMe SAMe HMDB0001185 C15H23N6O5S [M+H]+ NA 193 2020_01_matrix_effect serum Mar Garcia-Aloy 2 1_good 3_bad
4 Sedoheptulose-7-phosphate sedoheptulose_phosphate HMDB0001068 C7H15O10P [M+H-H2O]+ [2M-H]- 235 2020_01_matrix_effect serum Mar Garcia-Aloy 2 1_good 1_good
5 dADP ADP_d HMDB0001508 C10H15N5O9P2 [M+H]+ [M-H]- 260 2020_01_matrix_effect water Mar Garcia-Aloy 2 3_bad 3_bad
5 dCDP CDP_d HMDB0001245 C9H15N3O10P2 [M+H]+ [M-H]- 260 2020_01_matrix_effect serum Mar Garcia-Aloy 2 3_bad 2_medium
5 CoA CoA HMDB0001423 C21H36N7O16P3S NA [M-H]- 203 2020_01_matrix_effect water Mar Garcia-Aloy 2 3_bad 3_bad
5 Corticosterone corticosterone HMDB0001547 C21H30O4 [M+H]+ [M+CHO2]- 35 2020_01_matrix_effect serum Mar Garcia-Aloy 2 0_perfect 3_bad
5 "1,3-Dimethyluric acid" dimethyluric_1_3 HMDB0001857 C7H8N4O3 [M+H]+ [M-H]- 100 2020_01_matrix_effect serum Mar Garcia-Aloy 2 2_medium 2_medium
5 Glycerophospho-inositol glycerophospho_inositol HMDB0011649 C9H19O11P [M+H]+ [M-H]- NA 2020_01_matrix_effect serum Mar Garcia-Aloy 2 NA NA
5 GTP GTP HMDB0001273 C10H16N5O14P3 NA [M-H]- NA 2020_01_matrix_effect serum Mar Garcia-Aloy 2 3_bad 3_bad
5 2-Ketobutyric acid ketobutyric_2 HMDB0000005 C4H6O3 NA [M-H]- 39 2020_01_matrix_effect serum Mar Garcia-Aloy 2 3_bad 2_medium
5 Mannose mannose HMDB0000169 C6H12O6 [M+Na]+ [M+CHO2]- 163 2020_01_matrix_effect serum Mar Garcia-Aloy 2 2_medium 2_medium
5 5-MTA MTA HMDB0001173 C11H15N5O3S [M+H]+ [M+CHO2]- 80 2020_01_matrix_effect serum Mar Garcia-Aloy 2 2_medium 2_medium
5 NADP NADP HMDB0000217 C21H28N7O17P3 [M+H]+ [M-H]- 280 2020_01_matrix_effect serum Mar Garcia-Aloy 2 3_bad 2_medium
5 Nicotinic acid nicotinic HMDB0001488 C6H5NO2 [M+H]+ [M-H]- 37 2020_01_matrix_effect serum Mar Garcia-Aloy 2 2_medium 2_medium
5 Orotic acid orotic HMDB0000226 C5H4N2O4 [M+H]+ [M-H]- 177 2020_01_matrix_effect serum Mar Garcia-Aloy 2 2_medium 2_medium
5 PABA PABA HMDB0001392 C7H7NO2 [M+H]+ [M-H]- 36 2020_01_matrix_effect serum Mar Garcia-Aloy 2 0_perfect 2_medium
5 Threonine threonine HMDB0000167 C4H9NO3 [M+H]+ [M-H]- 173 2020_01_matrix_effect serum Mar Garcia-Aloy 2 0_perfect 0_perfect
6 Acetylglutamic acid acetylglutamic HMDB0001138 C7H11NO5 [M+H]+ [M-H]- 87 2020_01_matrix_effect serum Mar Garcia-Aloy 2 2_medium 1_good
6 Acetylglycine acetylglycine HMDB0000532 C4H7NO3 [M+H]+ [M-H]- 54 2020_01_matrix_effect serum Mar Garcia-Aloy 2 1_good 1_good
6 Arginine arginine HMDB0000517 C6H14N4O2 [M+H]+ [M-H]- 187 2020_01_matrix_effect serum Mar Garcia-Aloy 2 0_perfect 1_good
6 Asparagine asparagine HMDB0000168 C4H8N2O3 [M+H]+ [M-H]- 183 2020_01_matrix_effect serum Mar Garcia-Aloy 2 1_good 1_good
6 Choline choline HMDB0000097 C5H13NO [M+H]+ NA 37 2020_01_matrix_effect serum Mar Garcia-Aloy 2 2_medium 3_bad
6 CMP CMP HMDB0000095 C9H14N3O8P [M+H]+ [M-H]- 211 2020_01_matrix_effect serum Mar Garcia-Aloy 2 1_good 0_perfect
6 Cystine cystine HMDB0000192 C6H12N2O4S2 [M+H]+ [M-H]- 211 2020_01_matrix_effect serum Mar Garcia-Aloy 2 1_good 0_perfect
6 Histamine histamine HMDB0000870 C5H9N3 [M+H]+ [M-H]- 172 2020_01_matrix_effect serum Mar Garcia-Aloy 2 1_good 2_medium
6 3-Hydroxybutyric Acid hydroxybutyric_3 HMDB0000011 C4H8O3 [M+Na]+ [M-H]- 37 2020_01_matrix_effect serum Mar Garcia-Aloy 2 3_bad 0_perfect
6 Methioninesulfoxide methionine_sulfoxide HMDB0002005 C5H11NO3S [M+H]+ [M-H]- 182 2020_01_matrix_effect serum Mar Garcia-Aloy 2 1_good 1_good
6 Paracetamol paracetamol HMDB0001859 C8H9NO2 [M+H]+ [M-H]- 36 2020_01_matrix_effect serum Mar Garcia-Aloy 2 1_good 1_good
6 Sphingosine-1-phosphate sphingosine_phosphate HMDB0000277 C18H38NO5P [M+H]+ [M-H]- 145 2020_01_matrix_effect serum Mar Garcia-Aloy 2 2_medium 2_medium
6 Sucrose sucrose HMDB0000258 C12H22O11 [M+Na]+ [M+CHO2]- 187 2020_01_matrix_effect serum Mar Garcia-Aloy 2 1_good 0_perfect
6 Tryptophan tryptophan HMDB0000929 C11H12N2O2 [M+H]+ [M-H]- 155 2020_01_matrix_effect serum Mar Garcia-Aloy 2 1_good 1_good
6 UDP-acetylglucosamine UDP_acetylglucosamine HMDB0000290 C17H27N3O17P2 [M+H]+ [M-H]- 331 2020_01_matrix_effect serum Mar Garcia-Aloy 2 2_medium 1_good
7 ADMA ADMA HMDB0001539 C8H18N4O2 [M+H]+ [M-H]- 176 2020_01_matrix_effect serum Mar Garcia-Aloy 2 1_good 1_good
7 dAMP AMP_d HMDB0000905 C10H14N5O6P [M+H]+ [M-H]- 208 2020_01_matrix_effect serum Mar Garcia-Aloy 2 1_good 1_good
7 Caffeine caffeine HMDB0001847 C8H10N4O2 [M+H]+ NA 35 2020_01_matrix_effect serum Mar Garcia-Aloy 2 1_good 3_bad
7 CDP-choline CDP_choline HMDB0001413 C14H26N4O11P2 [M+H]+ [M+CHO2]- 217 2020_01_matrix_effect serum Mar Garcia-Aloy 2 1_good 1_good
7 Creatinine creatinine HMDB0000562 C4H7N3O [M+H]+ [M-H]- 87 2020_01_matrix_effect serum Mar Garcia-Aloy 2 2_medium 2_medium
7 Glutaric acid glutaric HMDB0000661 C5H8O4 NA [M-H]- 38 2020_01_matrix_effect serum Mar Garcia-Aloy 2 3_bad 1_good
7 Glycero-phosphocholine glycero_phosphocholine HMDB0000086 C8H20NO6P [M+H]+ [M+Cl]- 189 2020_01_matrix_effect serum Mar Garcia-Aloy 2 1_good 1_good
7 Methionine methionine HMDB0000696 C5H11NO2S [M+H]+ [M-H]- 163 2020_01_matrix_effect serum Mar Garcia-Aloy 2 1_good 1_good
7 3-Methylhistidine methylhistidine_3 HMDB0000479 C7H11N3O2 [M+H]+ [M-H]- 186 2020_01_matrix_effect serum Mar Garcia-Aloy 2 1_good 1_good
7 1-Methyluric acid methyluric HMDB0003099 C6H6N4O3 [M+H]+ [M-H]- 145 2020_01_matrix_effect serum Mar Garcia-Aloy 2 0_perfect 1_good
7 Phenylpyruvic acid phenylpyruvic HMDB0000205 C9H8O3 [M+H-H2O]+ [M-H]- 35 2020_01_matrix_effect serum Mar Garcia-Aloy 2 3_bad 1_good
7 Serine serine HMDB0000187 C3H7NO3 [M+H]+ [M-H]- 181 2020_01_matrix_effect serum Mar Garcia-Aloy 2 1_good 1_good
7 Sphingosine sphingosine HMDB0000252 C18H37NO2 [M+H]+ [M+CHO2]- 37 2020_01_matrix_effect serum Mar Garcia-Aloy 2 1_good 3_bad
7 Taurine taurine HMDB0000251 C2H7NO3S [M+H]+ [M-H]- 172 2020_01_matrix_effect serum Mar Garcia-Aloy 2 1_good 1_good
7 Threonic Acid threonic HMDB0000943 C4H8O5 [M+Na]+ [M-H]- 130 2020_01_matrix_effect serum Mar Garcia-Aloy 2 2_medium 2_medium
8 Aspirin aspirin HMDB0001879 C9H8O4 NA [M-H]- 33 2020_01_matrix_effect serum Mar Garcia-Aloy 2 3_bad 2_medium
8 Biotin biotin HMDB0000030 C10H16N2O3S [M+H]+ [M-H]- 72 2020_01_matrix_effect serum Mar Garcia-Aloy 2 2_medium 2_medium
8 C5 Carnitine carnitine_c5 HMDB0000688 C12H23NO4 [M+H]+ NA 47 2020_01_matrix_effect serum Mar Garcia-Aloy 2 2_medium 3_bad
8 Cystathionine cystathionine HMDB0000099 C7H14N2O4S [M+H]+ [M-H]- 207 2020_01_matrix_effect serum Mar Garcia-Aloy 2 0_perfect 0_perfect
8 "5,6-Dihydro Thymine" dihydrothymine HMDB0000079 C5H8N2O2 [M+H]+ NA 37 2020_01_matrix_effect serum Mar Garcia-Aloy 2 2_medium 3_bad
8 dGDP GDP_d HMDB0000960 C10H15N5O10P2 [M+H]+ [M-H]- 260 2020_01_matrix_effect water Mar Garcia-Aloy 2 3_bad 3_bad
8 Glyceric Acid glyceric HMDB0000139 C3H6O4 NA [M-H]- 75 2020_01_matrix_effect serum Mar Garcia-Aloy 2 3_bad 1_good
8 Inosine inosine HMDB0000195 C10H12N4O5 [M+Na]+ [M-H]- 146 2020_01_matrix_effect serum Mar Garcia-Aloy 2 0_perfect 0_perfect
8 Mevalonic Acid mevalonic HMDB0000227 C6H12O4 [M+H-H2O]+ [M-H]- 48 2020_01_matrix_effect serum Mar Garcia-Aloy 2 3_bad 2_medium
8 NADPH NADPH HMDB0000221 C21H30N7O17P3 NA NA 207 2020_01_matrix_effect serum Mar Garcia-Aloy 2 3_bad 3_bad
8 Norepinephrine norepinephrine HMDB0000216 C8H11NO3 NA NA NA 2020_01_matrix_effect serum Mar Garcia-Aloy 2 3_bad 3_bad
8 Ornithine ornithine HMDB0000214 C5H12N2O2 [M+H]+ [M-H]- 190 2020_01_matrix_effect serum Mar Garcia-Aloy 2 1_good 1_good
8 Succinic Acid succinic HMDB0000254 C4H6O4 NA [M-H]- 37 2020_01_matrix_effect serum Mar Garcia-Aloy 2 3_bad 2_medium
8 Tyrosine tyrosine HMDB0000158 C9H11NO3 [M+H]+ [M-H]- 168 2020_01_matrix_effect serum Mar Garcia-Aloy 2 1_good 1_good
8 Uracil uracil HMDB0000300 C4H4N2O2 [M+H]+ [M-H]- 64 2020_01_matrix_effect serum Mar Garcia-Aloy 2 2_medium 2_medium
9 N-Acetylserine acetylserine HMDB0002931 C5H9NO4 [M+H]+ [M-H]- 82 2020_01_matrix_effect serum Mar Garcia-Aloy 2 1_good 1_good
9 ADP-Ribose ADP_ribose HMDB0001178 C15H23N5O14P2 [M+H]+ [M-H]- 270 2020_01_matrix_effect serum Mar Garcia-Aloy 2 2_medium 2_medium
9 CDP-ethanolamine CDP_ethanolamine HMDB0001564 C11H20N4O11P2 [M+H]+ [M-H]- 219 2020_01_matrix_effect serum Mar Garcia-Aloy 2 1_good 0_perfect
9 CTP CTP HMDB0000082 C9H16N3O14P3 NA [M-H]- 232 2020_01_matrix_effect water Mar Garcia-Aloy 2 3_bad 3_bad
9 L-Cysteine cysteine HMDB0000574 C3H7NO2S [M+H]+ [M-H]- 170 2020_01_matrix_effect serum Mar Garcia-Aloy 2 1_good 1_good
9 Diethyl malonate diethylmalonate HMDB0029573 C7H12O4 [M+H]+ NA 29 2020_01_matrix_effect water Mar Garcia-Aloy 2 3_bad 3_bad
9 Eplerone eplerone HMDB0014838 C24H30O6 NA NA NA 2020_01_matrix_effect serum Vinicius 2 NA NA
9 Erythrose 4-phosphate erythrose_phosphate HMDB0001321 C4H9O7P [M+Na]+ [M-H]- 225 2020_01_matrix_effect serum Mar Garcia-Aloy 2 3_bad 2_medium
9 Glucose 1-Phosphate glucose_phosphate_1 HMDB0000645 C6H13O9P [2M+H]+ [2M-H]- 237 2020_01_matrix_effect serum Mar Garcia-Aloy 2 1_good 1_good
9 Guanosine guanosine HMDB0000133 C10H13N5O5 [M+H]+ [M-H]- 163 2020_01_matrix_effect serum Mar Garcia-Aloy 2 0_perfect 0_perfect
9 IMP IMP HMDB0000175 C10H13N4O8P [M+H]+ [M-H]- 226 2020_01_matrix_effect serum Mar Garcia-Aloy 2 1_good 1_good
9 NADH NADH HMDB0001487 C21H29N7O14P2 [M+H]+ [M-H]- 265 2020_01_matrix_effect serum Mar Garcia-Aloy 2 1_good 1_good
9 Pipecolic acid pipecolic HMDB0000070 C6H11NO2 [M+H]+ [M-H]- 169 2020_01_matrix_effect serum Mar Garcia-Aloy 2 1_good 1_good
9 Proline proline HMDB0000162 C5H9NO2 [M+H]+ [M-H]- 169 2020_01_matrix_effect serum Mar Garcia-Aloy 2 1_good 1_good
9 Thymidine thymidine HMDB0000273 C10H14N2O5 [M+Na]+ [M-H]- 72 2020_01_matrix_effect serum Mar Garcia-Aloy 2 3_bad 2_medium
10 N-Acetylornithine acetylornithine HMDB0003357 C7H14N2O3 [M+H]+ [M-H]- 170 2020_01_matrix_effect serum Mar Garcia-Aloy 2 1_good 1_good
10 Adenosine adenosine HMDB0000050 C10H13N5O4 [M+H]+ [M+CHO2]- 134 2020_01_matrix_effect serum Mar Garcia-Aloy 2 1_good 0_perfect
10 L-Aspartic Acid aspartic HMDB0000191 C4H7NO4 [M+H]+ [M-H]- 181 2020_01_matrix_effect serum Mar Garcia-Aloy 2 1_good 1_good
10 Citric Acid citric HMDB0000094 C6H8O7 [M+Na]+ [M-H]- 177 2020_01_matrix_effect serum Mar Garcia-Aloy 2 2_medium 2_medium
10 Cytidine cytidine HMDB0000089 C9H13N3O5 [M+H]+ [M+CHO2]- 162 2020_01_matrix_effect serum Mar Garcia-Aloy 2 1_good 1_good
10 Fumaric Acid fumaric HMDB0000134 C4H4O4 NA [M-H]- 48 2020_01_matrix_effect serum Mar Garcia-Aloy 2 3_bad 2_medium
10 GDP GDP HMDB0001201 C10H15N5O11P2 [M+H]+ [M-H]- 295 2020_01_matrix_effect water Mar Garcia-Aloy 2 3_bad 3_bad
10 Glucosamine glucosamine HMDB0001514 C6H13NO5 [M+H]+ [M+CHO2]- 181 2020_01_matrix_effect serum Mar Garcia-Aloy 2 1_good 1_good
10 Phosphoenolpyruvic Acid phosphoenolpyruvic HMDB0000263 C3H5O6P [M+H]+ [M-H]- 227 2020_01_matrix_effect serum Mar Garcia-Aloy 2 2_medium 2_medium
10 Phosphorylethanolamine phosphorylethanolamine HMDB0000224 C2H8NO4P [M+H]+ [2M-H]- 198 2020_01_matrix_effect serum Mar Garcia-Aloy 2 0_perfect 1_good
10 Ribulose 5-Phosphate ribulose_phosphate HMDB0000618 C5H11O8P [M+H]+ [M-H]- 225 2020_01_matrix_effect serum Mar Garcia-Aloy 2 3_bad 1_good
10 SAH SAH HMDB0000939 C14H20N6O5S [M+H]+ [M-H]- 186 2020_01_matrix_effect serum Mar Garcia-Aloy 2 0_perfect 0_perfect
10 Salicylic acid salicylic HMDB0001895 C7H6O3 [M+H]+ [M-H]- 34 2020_01_matrix_effect serum Mar Garcia-Aloy 2 2_medium 0_perfect
10 Spermidine spermidine HMDB0001257 C7H19N3 [M+H]+ NA 188 2020_01_matrix_effect serum Mar Garcia-Aloy 2 2_medium 3_bad
10 Thymine thymine HMDB0000262 C5H6N2O2 [M+H]+ [M-H]- 58 2020_01_matrix_effect serum Mar Garcia-Aloy 2 2_medium 2_medium
11 ADP ADP HMDB0001341 C10H15N5O10P2 [M+H]+ [M-H]- 256 2020_01_matrix_effect serum Mar Garcia-Aloy 2 3_bad 2_medium
11 L-Carnitine carnitine HMDB0000062 C7H15NO3 [M+H]+ NA 130 2020_01_matrix_effect serum Mar Garcia-Aloy 2 2_medium 3_bad
11 dCTP CTP_d HMDB0000998 C9H16N3O13P3 NA [M-H]- 228 2020_01_matrix_effect water Mar Garcia-Aloy 2 3_bad 3_bad
11 "L,L-Cyclo(leucylprolyl)" cyclo_leucylprolyl HMDB0034276 C11H18N2O2 [M+H]+ NA 35 2020_01_matrix_effect serum Mar Garcia-Aloy 2 0_perfect 3_bad
11 Dihydroorotic acid dihydroorotic HMDB0003349 C5H6N2O4 [M+H]+ [M-H]- 120 2020_01_matrix_effect serum Mar Garcia-Aloy 2 2_medium 1_good
11 Glutathione Reduced glutathione_reduced HMDB0000125 C20H32N6O12S2 [M+H]+ [M-H]- 211 2020_01_matrix_effect serum Mar Garcia-Aloy 2 1_good 1_good
11 Alpha-ketoisovaleric acid ketoisovaleric HMDB0000019 C5H8O3 NA [M-H]- 34 2020_01_matrix_effect serum Mar Garcia-Aloy 2 3_bad 2_medium
11 Lysine lysine HMDB0000182 C6H14N2O2 [M+H]+ [M-H]- 188 2020_01_matrix_effect serum Mar Garcia-Aloy 2 1_good 1_good
11 Malic Acid malic HMDB0000156 C4H6O5 NA [M-H]- 92 2020_01_matrix_effect serum Mar Garcia-Aloy 2 3_bad 2_medium
11 3-Methylxanthine methylxanthine_3 HMDB0001886 C6H6N4O2 [M+H]+ [M-H]- 86 2020_01_matrix_effect serum Mar Garcia-Aloy 2 1_good 2_medium
11 2-Phosphoglyceric Acid phosphoglyceric_2 HMDB0000362 C3H7O7P [M+H]+ [M-H]- 250 2020_01_matrix_effect serum Mar Garcia-Aloy 2 2_medium 2_medium
11 SDMA SDMA HMDB0003334 C8H18N4O2 [M+H]+ [M-H]- 174 2020_01_matrix_effect serum Mar Garcia-Aloy 2 1_good 1_good
11 Tetrahydrobiopterin tetrahydrobiopterin HMDB0000027 C9H15N5O3 [M+Na]+ NA 141 2020_01_matrix_effect serum Vinicius 2 3_bad 3_bad
11 p-Tyramine tyramine HMDB0000306 C8H11NO [M+H]+ NA 127 2020_01_matrix_effect serum Mar Garcia-Aloy 2 2_medium 3_bad
11 UDP-Glucose UDP_glucose HMDB0000286 C15H24N2O17P2 [M+Na]+ [M-H]- 305 2020_01_matrix_effect water Mar Garcia-Aloy 2 3_bad 2_medium
12 Argininosuccinic acid argininosuccinic HMDB0000052 C10H18N4O6 [M+H]+ [M-H]- 199 2020_01_matrix_effect serum Mar Garcia-Aloy 2 1_good 1_good
12 Carnosine carnosine HMDB0000033 C9H14N4O3 [M+H]+ [M-H]- 184 2020_01_matrix_effect serum Mar Garcia-Aloy 2 1_good 1_good
12 dCMP CMP_d HMDB0001202 C9H14N3O7P [M+H]+ [2M-H]- 203 2020_01_matrix_effect serum Mar Garcia-Aloy 2 1_good 0_perfect
12 Folic acid folic HMDB0000121 C19H19N7O6 [M+Na]+ [M-H]- 160 2020_01_matrix_effect serum Mar Garcia-Aloy 2 1_good 2_medium
12 N-Formyl-L-methionine formylmethionine HMDB0001015 C6H11NO3S [M+H]+ [M-H]- 37 2020_01_matrix_effect serum Mar Garcia-Aloy 2 1_good 2_medium
12 Galactitol galactitol HMDB0000107 C6H14O6 [M+Na]+ [M-H]- 167 2020_01_matrix_effect serum Mar Garcia-Aloy 2 0_perfect 0_perfect
12 Glucose 6-Phosphate glucose_phosphate_6 HMDB0001401 C6H13O9P [2M+H]+ [2M-H]- 239 2020_01_matrix_effect serum Mar Garcia-Aloy 2 1_good 1_good
12 dGMP GMP_d HMDB0001044 C10H14N5O7P [M+H]+ [M-H]- 223 2020_01_matrix_effect serum Mar Garcia-Aloy 2 1_good 1_good
12 Guanidoacetic acid guanidoacetic HMDB0000128 C3H7N3O2 [M+H]+ [M-H]- 170 2020_01_matrix_effect serum Mar Garcia-Aloy 2 1_good 1_good
12 Homocysteine homocysteine HMDB0000742 C4H9NO2S [M+H]+ [M-H]- 168 2020_01_matrix_effect serum Mar Garcia-Aloy 2 1_good 1_good
12 Ketoleucine ketoleucine HMDB0000695 C6H10O3 [M+H]+ [M-H]- 34 2020_01_matrix_effect serum Mar Garcia-Aloy 2 2_medium 1_good
12 Methotrexate methotrexate HMDB0014703 C20H22N8O5 [M+H]+ [M-H]- 155 2020_01_matrix_effect serum Mar Garcia-Aloy 2 1_good 2_medium
12 Sebacic acid sebacic HMDB0000792 C10H18O4 [M+Na]+ [M-H]- 36 2020_01_matrix_effect serum Mar Garcia-Aloy 2 2_medium 1_good
12 Thiamine thiamine HMDB0000235 C12H16N4OS [M+H]+ [M-H]- 148 2020_01_matrix_effect serum Mar Garcia-Aloy 2 2_medium 2_medium
12 Tryptamine tryptamine HMDB0000303 C10H12N2 [M+H-NH3]+ NA 36 2020_01_matrix_effect serum Mar Garcia-Aloy 2 2_medium 3_bad
13 N-Acetyl-beta-alanine acetylalanine_NB HMDB0061880 C5H9NO3 [M+H]+ [M-H]- 37 2020_01_matrix_effect serum Mar Garcia-Aloy 2 2_medium 2_medium
13 Acetylneuraminic Acid acetylneuraminic HMDB0000230 C11H19NO9 [M+H-H4O2]+ [M-H]- 180 2020_01_matrix_effect serum Mar Garcia-Aloy 2 1_good 2_medium
13 Dopamine dopamine HMDB0000073 C8H11NO2 [M+H]+ [M-H]- 140 2020_01_matrix_effect serum Mar Garcia-Aloy 2 2_medium 2_medium
13 "Fructose-1,6-Diphosphate" fructose_diphosphate HMDB0001058 C6H14O12P2 [M+H-H2O]+ [M-H]- 330 2020_01_matrix_effect serum Vinicius 2 3_bad 3_bad
13 Ibuprofen ibuprofen HMDB0001925 C13H18O2 NA [M-H]- 31 2020_01_matrix_effect serum Mar Garcia-Aloy 2 3_bad 0_perfect
13 Indoleacetic acid indoleacetic HMDB0000197 C10H9NO2 [M+H]+ [M-H]- 35 2020_01_matrix_effect serum Mar Garcia-Aloy 2 1_good 0_perfect
13 1-Methylhistidine methylhistidine_1 HMDB0000001 C7H11N3O2 [M+H]+ [M-H]- 182 2020_01_matrix_effect serum Mar Garcia-Aloy 2 1_good 1_good
13 8-Oxo-2-Deoxyguanosine oxodeoxyguanosine HMDB0003333 C10H13N5O5 [M+H]+ [M-H]- 159 2020_01_matrix_effect serum Mar Garcia-Aloy 2 1_good 0_perfect
13 Pantothenic Acid pantothenic HMDB0000210 C9H17NO5 [M+H]+ [M-H]- 38 2020_01_matrix_effect serum Mar Garcia-Aloy 2 2_medium 2_medium
13 Phenylacetic acid phenylacetic HMDB0000209 C8H8O2 [M+H]+ [M-H]- 33 2020_01_matrix_effect serum Mar Garcia-Aloy 2 3_bad 1_good
13 Phosphorylcholine phosphorylcholine HMDB0001565 C5H14NO4P [M+H]+ [M+Cl]- 195 2020_01_matrix_effect serum Mar Garcia-Aloy 2 2_medium 2_medium
13 Sorbitol sorbitol HMDB0000247 C6H14O6 [M+Na]+ [M-H]- 165 2020_01_matrix_effect serum Mar Garcia-Aloy 2 0_perfect 0_perfect
13 Spermine spermine HMDB0001256 C10H26N4 [M+H]+ NA 204 2020_01_matrix_effect serum Mar Garcia-Aloy 2 2_medium 3_bad
13 Uridine uridine HMDB0000296 C9H12N2O6 [M+H]+ [M+CHO2]- 124 2020_01_matrix_effect serum Mar Garcia-Aloy 2 2_medium 1_good
13 dUTP UTP_d HMDB0001191 C9H15N2O14P3 NA NA 33 2020_01_matrix_effect serum Mar Garcia-Aloy 2 3_bad 3_bad
14 Acetylcarnitine acetylcarnitine HMDB0000201 C9H17NO4 [M+H]+ NA 37 2020_01_matrix_effect serum Mar Garcia-Aloy 2 2_medium 3_bad
14 ADP-Glucose ADP_glucose HMDB0006557 C16H25N5O15P2 [M+H-Hexose-H2O]+ [M-H]- 275 2020_01_matrix_effect serum Mar Garcia-Aloy 2 2_medium 1_good
14 "1,5-anhydro D-glucitol" anhydroglucitol HMDB0002712 C6H12O5 [M+Na]+ [M+CHO2]- 135 2020_01_matrix_effect serum Mar Garcia-Aloy 2 3_bad 3_bad
14 Glyceraldehyde 2-phosphate glyceraldehyde_phosphate HMDB0001112 C3H7O6P [M+H]+ [M-H]- 213 2020_01_matrix_effect serum Mar Garcia-Aloy 2 2_medium 2_medium
14 Glycerol-3-Phosphate glycerol_phosphate HMDB0000126 C3H9O6P [M+H]+ [2M-H]- 222 2020_01_matrix_effect serum Mar Garcia-Aloy 2 1_good 1_good
14 dGTP GTP_d HMDB0001440 C10H16N5O13P3 NA NA 233 2020_01_matrix_effect water Mar Garcia-Aloy 2 3_bad 3_bad
14 Indolelactic acid indolelactic HMDB0000671 C11H11NO3 [M+H]+ [M-H]- 37 2020_01_matrix_effect serum Mar Garcia-Aloy 2 1_good 1_good
14 Isocitric Acid isocitric HMDB0000193 C6H8O7 NA [M-H]- 146 2020_01_matrix_effect serum Mar Garcia-Aloy 2 3_bad 2_medium
14 2-Ketoglutaric acid ketoglutaric_2 HMDB0000208 C5H6O5 NA [M-H]- 75 2020_01_matrix_effect serum Mar Garcia-Aloy 2 3_bad 2_medium
14 Levodopa levodopa HMDB0000181 C9H11NO4 [M+H]+ [M-H]- 170 2020_01_matrix_effect serum Mar Garcia-Aloy 2 1_good 1_good
14 NAD NAD HMDB0000902 C21H27N7O14P2 [M+H]+ [M-H]- 225 2020_01_matrix_effect serum Mar Garcia-Aloy 2 1_good 1_good
14 Pyridoxic Acid pyridoxic HMDB0000017 C8H9NO4 [M+H]+ [M-H]- 85 2020_01_matrix_effect serum Mar Garcia-Aloy 2 1_good 2_medium
14 Serotonin serotonin HMDB0000259 C10H12N2O [M+H-NH3]+ [M+Cl]- 132 2020_01_matrix_effect serum Mar Garcia-Aloy 2 2_medium 3_bad
14 Ureidopropionic acid ureidopropionic HMDB0000026 C4H8N2O3 [M+H]+ [M-H]- 88 2020_01_matrix_effect serum Mar Garcia-Aloy 2 2_medium 2_medium
14 Xylulose 5-Phosphate xylulose_phosphate HMDB0000868 C5H11O8P [M+H]+ [2M-H]- 225 2020_01_matrix_effect serum Mar Garcia-Aloy 2 1_good 1_good
15 N-alpha-Acetyl-L-arginine acetylarginine HMDB0004620 C8H16N4O3 [M+H]+ [M-H]- 170 2020_01_matrix_effect serum Mar Garcia-Aloy 2 1_good 1_good
15 alpha-Aminoadipic acid aminoadipic HMDB0000510 C6H11NO4 [M+H]+ [M-H]- 170 2020_01_matrix_effect serum Mar Garcia-Aloy 2 1_good 1_good
15 FAD FAD HMDB0001248 C27H33N9O15P2 [M+H]+ [M-H]- 290 2020_01_matrix_effect serum Mar Garcia-Aloy 2 2_medium 2_medium
15 Glucosamine-6-Phosphate glucosamine_phosphate HMDB0001254 C6H14NO8P [M+H]+ [2M-H]- 219 2020_01_matrix_effect serum Mar Garcia-Aloy 2 0_perfect 0_perfect
15 Glucuronic Acid glucuronic HMDB0000127 C6H10O7 [M+Na]+ [M-H]- 171 2020_01_matrix_effect serum Mar Garcia-Aloy 2 3_bad 0_perfect
15 p-Hydroxyphenylacetic acid hydroxyphenylacetic HMDB0000020 C8H8O3 [M+H-H2O]+ [M-H]- 36 2020_01_matrix_effect serum Mar Garcia-Aloy 2 3_bad 1_good
15 Isovalerylglycine isovalerylglycine HMDB0000678 C7H13NO3 [M+H]+ [M-H]- 37 2020_01_matrix_effect serum Mar Garcia-Aloy 2 0_perfect 0_perfect
15 2-Methylcitric acid methylcitric HMDB0000379 C7H10O7 [M+Na]+ [M-H]- 171 2020_01_matrix_effect serum Mar Garcia-Aloy 2 2_medium 2_medium
15 Phenylalanine phenylalanine HMDB0000159 C9H11NO2 [M+H]+ [M-H]- 154 2020_01_matrix_effect serum Mar Garcia-Aloy 2 1_good 1_good
15 Phosphoserine phosphoserine HMDB0000272 C3H8NO6P [M+H]+ [2M-H]- 231 2020_01_matrix_effect serum Mar Garcia-Aloy 2 1_good 1_good
16 Acetyl-Glucosamine acetylglucosamine HMDB0000215 C8H15NO6 [M+Na]+ [M+CHO2]- 156 2020_01_matrix_effect serum Mar Garcia-Aloy 2 1_good 1_good
16 Acetylmethionine acetylmethionine HMDB0011745 C7H13NO3S [M+H]+ [M-H]- 37 2020_01_matrix_effect serum Mar Garcia-Aloy 2 1_good 1_good
16 Dihydroxyacetone phosphate dihydroxyacetone_phosphate HMDB0001473 C3H7O6P [M+H]+ [2M-H]- 220 2020_01_matrix_effect serum Mar Garcia-Aloy 2 2_medium 1_good
16 "1,7-Dimethyluric acid" dimethyluric_1_7 HMDB0011103 C7H8N4O3 [M+H]+ [M-H]- 119 2020_01_matrix_effect serum Mar Garcia-Aloy 2 2_medium 2_medium
16 homovanillic acid homovanillic HMDB0000118 C9H10O4 [M+H-CH2O2]+ [M-H]- 36 2020_01_matrix_effect serum Mar Garcia-Aloy 2 3_bad 0_perfect
16 6-Phosphogluconic Acid phosphogluconic HMDB0001316 C6H13O10P [M+H-H2O]+ [M-H]- 265 2020_01_matrix_effect serum Mar Garcia-Aloy 2 3_bad 2_medium
16 Quinolinic acid quinolinic HMDB0000232 C7H5NO4 [M+H]+ [M-H]- 176 2020_01_matrix_effect serum Mar Garcia-Aloy 2 2_medium 2_medium
17 Acetylaspartic acid acetylaspartic HMDB0000812 C6H9NO5 [M+H]+ [M-H]- 100 2020_01_matrix_effect serum Mar Garcia-Aloy 2 2_medium 1_good
17 dATP ATP_d HMDB0001532 C10H16N5O12P3 NA [M-H]- 224 2020_01_matrix_effect water Mar Garcia-Aloy 2 3_bad 3_bad
17 Epinephrine epinephrine HMDB0000068 C9H13NO3 [M+H]+ [M-H]- 144 2020_01_matrix_effect serum Mar Garcia-Aloy 2 2_medium 2_medium
17 Gluconic Acid gluconic HMDB0000625 C6H12O7 [M+Na]+ [M-H]- 171 2020_01_matrix_effect serum Mar Garcia-Aloy 2 2_medium 2_medium
17 3-Hydroxy-DL-kynurenine hydroxykynurenine_3 HMDB0000732 C10H12N2O4 [M+H]+ [M-H]- 163 2020_01_matrix_effect serum Mar Garcia-Aloy 2 1_good 1_good
17 Indoxyl sulfate indoxyl_sulfate HMDB0000682 C8H7NO4S [M+Na]+ [M-H]- 50 2020_01_matrix_effect serum Mar Garcia-Aloy 2 3_bad 2_medium
17 alpha-Lactose lactose HMDB0000186 C12H22O11 [M+Na]+ [M+CHO2]- 194 2020_01_matrix_effect serum Mar Garcia-Aloy 2 0_perfect 0_perfect
17 7-Methylxanthine methylxanthine_7 HMDB0001991 C6H6N4O2 [M+H]+ [M-H]- 85 2020_01_matrix_effect serum Mar Garcia-Aloy 2 1_good 2_medium
17 Nicotine nicotine HMDB0001934 C10H14N2 [M+H]+ NA 37 2020_01_matrix_effect serum Mar Garcia-Aloy 2 2_medium 3_bad
17 Oxalacetic acid oxalacetic HMDB0000223 C4H4O5 NA NA NA 2020_01_matrix_effect serum Mar Garcia-Aloy 2 3_bad 3_bad
17 Phosphoribosyl pyrophosphate phosphoribosyl_pyrophosphate HMDB0000280 C5H13O14P3 NA NA NA 2020_01_matrix_effect serum Vinicius 2 3_bad 3_bad
17 Ribose 5-Phosphate ribose_phosphate HMDB0001548 C5H11O8P [M+H-H2O]+ [M-H]- 230 2020_01_matrix_effect serum Mar Garcia-Aloy 2 3_bad 1_good
17 Succinylacetone succinylacetone HMDB0000635 C7H10O4 [M+Na]+ [M-H]- 35 2020_01_matrix_effect serum Mar Garcia-Aloy 2 1_good 1_good
17 UTP UTP HMDB0000285 C9H15N2O15P3 NA NA NA 2020_01_matrix_effect serum Mar Garcia-Aloy 2 3_bad 3_bad
17 Xanthosine xanthosine HMDB0000299 C10H12N4O6 [M+Na]+ [M-H]- 153 2020_01_matrix_effect serum Mar Garcia-Aloy 2 1_good 0_perfect
18 Fructose 6-Phosphate fructose_phosphate HMDB0000124 C6H13O9P [2M+H]+ [2M-H]- 235 2020_01_matrix_effect serum Mar Garcia-Aloy 2 3_bad 1_good
18 2-Hydroxybutyric acid hydroxybutyric_2 HMDB0000008 C4H8O3 NA [M-H]- 37 2020_01_matrix_effect serum Mar Garcia-Aloy 2 3_bad 2_medium
18 3-Hydroxy-DL-kynurenine hydroxykynurenine_3 HMDB0000732 C10H12N2O4 [M+H]+ [M-H]- 163 2020_01_matrix_effect serum Mar Garcia-Aloy 2 1_good 1_good
18 Succinyl-CoA succinyl_CoA HMDB0001022 C25H40N7O19P3S NA NA 227 2020_01_matrix_effect water Mar Garcia-Aloy 2 3_bad 3_bad
19 Adenine adenine HMDB0000034 C5H5N5 [M+H]+ [M-H]- 133 2020_01_matrix_effect serum Mar Garcia-Aloy 2 1_good 1_good
19 ATP ATP HMDB0000538 C10H16N5O13P3 NA NA NA 2020_01_matrix_effect serum Mar Garcia-Aloy 2 3_bad 3_bad
19 Homocysteinethiolactone homocysteinethiolactone HMDB0002287 C4H7NOS [M+H]+ NA 124 2020_01_matrix_effect serum Mar Garcia-Aloy 2 2_medium 3_bad
19 Methylamine methylamine HMDB0000164 CH5N NA NA NA 2020_01_matrix_effect serum Mar Garcia-Aloy 2 3_bad 3_bad
19 Trimethylamine trimethylamine HMDB0000906 C3H9N [M+H]+ NA 37 2020_01_matrix_effect serum Mar Garcia-Aloy 2 2_medium 3_bad
19 UMP UMP HMDB0000288 C9H13N2O9P [M+H]+ [M-H]- 225 2020_01_matrix_effect serum Mar Garcia-Aloy 2 1_good 1_good
20 7-Aminoheptanoic acid aminoheptanoic HMDB0033826 C15H24O NA NA 28 2020_01_matrix_effect serum Mar Garcia-Aloy 2 3_bad 3_bad
20 3-Chloro-5-(trifluoromethyl)-2-pyrindol chlorotrifluoromethylpyrindol NA C6H3ClF3NO [M+H]+ [M-H]- 33 2020_01_matrix_effect serum Mar Garcia-Aloy 2 0_perfect 0_perfect
20 "3,5-Dichloro-2-hydroxypyridine" dichlorohydroxypyridine NA C5H3Cl2NO [M+H]+ [M-H]- 36 2020_01_matrix_effect serum Mar Garcia-Aloy 2 0_perfect 0_perfect
20 "3,5,6-Trichloro-2-pyrinidol" trichloropyrinidol NA C5H2Cl3NO [M+H]+ [M-H]- 32 2020_01_matrix_effect serum Mar Garcia-Aloy 2 0_perfect 0_perfect