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Return to study ST002493 main page
Analysis: GC UNSPECIFIED ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
coniferin
Coniferin
ME591917
5280372
C00761
1022427
324
trisaccharide
Hexose trisaccharide
ME592067
871
C00420
1027144
361
cerotinic acid
Cerotic acid
ME591998
10469
-
1033286
145
chlorogenic acid
Chlorogenic acid
ME591922
1794427
C00852
1051615
255
tocopherol alpha-
alpha-Tocopherol
ME592061
638015
C00376
1067809
237
stigmasterol
Stigmasterol
ME591962
5280794
C05442
1110837
255
raffinose
Raffinose
ME592071
439242
C00492
1120886
361
1-kestose
1-Kestose
ME591955
440080
C03661
1123027
361
beta-sitosterol
Sitosterol
ME591937
222284
C01753
1128225
129
melezitose
Melezitose
ME591913
92817
C08243
1146704
361
maltotriose
Maltotriose
ME591910
439586
C01835
1176044
361
panose
Panose
ME591996
-
-
1187262
204
pyruvic acid
Pyruvic acid
ME592003
1060
C00022
213805
174
alanine
Alanine
ME592007
5950
C00041
240378
116
butyrolactam
2-Pyrrolidinone
ME591993
12025
-
277199
142
methanolphosphate
Methanolphosphate
ME591989
13130
-
289520
241
malonic acid
Malonic acid
ME592063
867
C00383
305372
233
2-ketoisocaproic acid
Ketoleucine
ME592048
70
C00233
310761
89
valine
Valine
ME592039
6287
C00183
313502
144
pyrophosphate
Pyrophosphate
ME592002
1023
C00013
326948
110
urea
Urea
ME592019
1176
C00086
329351
189
dihydroxyacetone
Dihydroxyacetone
ME592040
670
C00184
332120
89
glycerol
Glycerol
ME592026
753
C00116
344466
205
ethanolamine
Ethanolamine
ME592042
700
C00189
344719
174
phosphate
Phosphoric acid
ME592001
1004
C00009
345365
314
leucine
Leucine
ME592028
6106
C00123
346101
158
2-deoxyerythritol
2-Deoxyerythritol
ME591985
18302
-
355045
117
isoleucine
Isoleucine
ME592065
6306
C00407
359251
158
maleic acid
Maleic acid
ME591931
444266
C01384
363611
245
proline
Proline
ME592031
145742
C00148
364523
142
nicotinic acid
Nicotinic acid
ME592051
938
C00253
366992
180
glycine
Glycine
ME592006
5257127
C00037
367302
248
succinic acid
Succinic acid
ME592008
1110
C00042
370608
247
norleucine
Norleucine
ME591942
21236
C01933
374120
158
glyceric acid
Glyceric acid
ME592052
439194
C00258
377495
189
2,3-dihydroxybutanoic acid
2,3-Dihydroxybutanoic acid
ME592000
250402
-
384796
292
uracil
Uracil
ME592025
1174
C00106
385816
241
itaconic acid
Itaconic acid
ME592070
811
C00490
386511
147
fumaric acid
Fumaric acid
ME592027
444972
C00122
392338
245
serine
Serine
ME592012
5951
C00065
395020
218
2,5-dihydroxypyrazine
2,5-Dihydroxypyrazine
ME591992
23368901
-
397526
241
pipecolinic acid
Pipecolic acid
ME591991
6931662
-
404121
156
cyanoalanine
Cyanoalanine
ME591983
18647689
-
404807
141
erythronic acid lactone
Erythrono-1,4-lactone
ME591948
5325915
C02341
407495
247
threonine
Threonine
ME592041
6288
C00188
408777
218
O-acetylserine
O-Acetylserine
ME591926
99478
C00979
414914
174
methylmaleic acid
Citraconic acid
ME591946
643798
C02226
418804
259
hydroquinone
Hydroquinone
ME592074
785
C00530
422583
239
beta-alanine
beta-Alanine
ME592023
239
C00099
435564
248
dihydroxymalonic acid
-
ME591997
68412
-
443241
307
erythrose
Erythrose
ME591938
439574
C01796
443306
205
homoserine
Homoserine
ME592053
12647
C00263
443878
218
citramalic acid
Citramalic acid
ME591920
1081
C00815
456203
247
malic acid
Malic acid
ME591915
525
C00711
463180
233
nicotinamide
Niacinamide
ME592033
936
C00153
471602
179
aspartic acid
Aspartic acid
ME592010
5960
C00049
480387
232
salicylic acid
Salicylic acid
ME591919
338
C00805
480699
267
methionine
Methionine
ME592014
6137
C00073
483560
176
oxoproline
Oxoproline
ME591939
7405
C01879
485935
156
4-aminobutyric acid
4-Aminopentanoic acid
ME592058
119
C00334
488730
304
threonic acid
Threonic acid
ME591935
5460407
C01620
497572
292
cysteine
Cysteine
ME592022
5862
C00097
500158
220
cinnamic acid
trans-Cinnamic acid
ME591980
-
-
503750
161
2-hydroxyglutaric acid
2-Hydroxyglutaric acid
ME591950
43
C02630
506306
247
alpha-ketoglutarate
2-Oxoglutaric acid
ME592005
51
C00026
507392
198
2-isopropylmalic acid
2-Isopropylmalic acid
ME591949
5280523
C02504
508690
275
n-epsilon-trimethyllysine
N-6-Trimethyllysine
ME591986
440121
-
512366
118
phenylethylamine
Phenylethylamine
ME591957
1001
C05332
513300
174
phenylpyruvate
Phenylpyruvic acid
ME591982
-
-
517753
91
ornithine
Ornithine
ME592015
6262
C00077
527113
142
glutamic acid
Glutamic acid
ME592004
33032
C00025
529100
246
tartaric acid
Tartaric acid
ME591924
444305
C00898
534291
292
4-hydroxybenzoic acid
4-Hydroxybenzoic acid
ME592034
135
C00156
537290
267
phenylalanine
Phenylalanine
ME592017
6140
C00079
537804
218
pentose
Galacturonic acid
ME591977
229
-
540818
103
lyxose
Lyxose
ME592069
439240
C00476
541086
217
xylose
Xylose
ME592038
135191
C00181
544100
103
ribose
Ribose
ME591976
10975657
-
553071
217
asparagine
Asparagine
ME592032
6267
C00152
553078
188
guanidinosuccinate
Guanidinosuccinic acid
ME591911
439918
C03139
557299
328
pentitol
Arabitol
ME591914
827
D00061
561721
307
xylitol
Xylitol
ME592062
6912
C00379
567437
217
levoglucosan
Glucosan
ME591990
2724705
-
569637
204
arabitol
Arabitol
ME591941
94154
C01904
572730
103
alpha-aminoadipic acid
alpha-Aminoadipic acid
ME591925
92136
C00956
573295
260
lyxitol
L-Arabitol
ME592075
439255
C00532
573587
217
beta-glycerolphosphate
sn-Glycero-2-phosphate
ME591952
2526
C02979
574470
243
6-deoxyglucose
Quinovose
ME591979
93579
-
575986
117
fucose
Fucose
ME591945
439650
C02095
578299
160
aconitic acid
cis-Aconitic acid
ME592066
643757
C00417
586815
229
UDP-glucuronic acid
UDP-glucuronic acid
ME592036
17473
C00167
587601
217
putrescine
Putrescine
ME592030
1045
C00138
588119
174
3,6-anhydro-D-galactose
3,6-Anhydro-galactose
ME591966
16069996
C06474
588886
231
glycerol-alpha-phosphate
sn-Glycero-3-phosphate
ME591953
754
C03189
590747
357
glucose-1-phosphate
Glucose 1-phosphate
ME592024
65533
C00103
594647
217
N-acetylputrescine
N-Acetylputrescine
ME591951
122356
C02714
595523
174
ribonic acid
Ribonic acid
ME591936
5460677
C01685
599680
292
glutamine
Glutamine
ME592011
5961
C00064
600000
156
phosphoethanolamine
Phosphoethanolamine
ME592059
1015
C00346
603912
299
shikimic acid
Shikimic acid
ME592072
8742
C00493
611100
204
citric acid
Citric acid
ME592035
311
C00158
615341
273
isocitric acid
Isocitric acid
ME592068
5318532
C00451
616323
245
citrulline
Citrulline
ME592057
9750
C00327
621404
157
quinic acid
Quinic acid
ME592054
6508
C00296
632897
345
dehydroascorbic acid
L-Dehydroascorbic acid
ME591961
440667
C05422
633423
173
myristic acid
Myristic acid
ME591963
11005
C06424
634414
285
fructose
Fructose
ME591947
439709
C02336
641863
307
glucose
Glucose
ME592047
64689
C00221
659798
319
lysine
Lysine
ME592009
5962
C00047
663483
156
histidine
Histidine
ME592029
6274
C00135
663790
154
glucuronic acid
Glucuronic acid
ME592043
94715
C00191
665901
333
tyrosine
Tyrosine
ME592018
6057
C00082
671252
218
ascorbic acid
Vitamin C
ME592013
54670067
C00072
672898
332
conduritol-beta-epoxide
Conduritol epoxide
ME591975
9989541
-
674500
318
cis-caffeic acid
Caffeic acid
ME591988
1549111
-
688023
219
mannonic acid
Mannonic acid
ME592073
3246006
C00514
689527
333
gluconic acid
Gluconic acid
ME591909
6857417
C00800
693148
333
saccharic acid
Glucaric acid
ME591921
33037
C00818
699211
333
mucic acid
Galactaric acid
ME591923
3037582
C00879
709842
333
palmitoleic acid
Palmitoleic acid
ME591978
-
-
710215
311
palmitic acid
Palmitic acid
ME592050
985
C00249
713809
313
N-acetyl-D-galactosamine
N-Acetyl-D-galactosamine
ME591912
440552
C05021
720730
319
uric acid
Uric acid
ME592060
1175
C00366
730691
441
ferulic acid
trans-Ferulic acid
ME591932
445858
C01494
732779
338
N-acetylmannosamine
N-Acetyl-mannosamine
ME592076
439281
C00645
735323
319
ribulose-5-phosphate
Ribulose 5-phosphate
ME592044
439184
C00199
735908
357
linoleic acid methyl ester
-
ME591987
5284421
-
738308
93
guanine
Guanine
ME592049
764
C00242
744307
352
3,4-dihydroxycinnamic acid
Caffeic acid
ME591929
689043
C01197
748847
219
heptadecanoic acid
Margaric acid
ME591995
10465
-
751309
117
octadecanol
Stearyl alcohol
ME591994
8221
-
755409
327
glutamyl-valine
Glu-Val
ME591984
6992567
-
760894
156
beta-mannosylglycerate
-
ME591970
5460194
C11544
774364
204
tryptophan
Tryptophan
ME592016
6305
C00078
774603
130
linoleic acid
Linoleic acid
ME591934
5280450
C01595
777414
150
linolenic acid
Octadecatrienoic acid
ME591965
5280934
C06427
780376
108
stearic acid
Stearic acid
ME591933
5281
C01530
787622
117
spermidine
Spermidine
ME592056
1102
C00315
792924
144
glycerol-3-galactoside
Galactosylglycerol
ME591959
16048618
C05401
800205
204
fructose-6-phosphate
Fructose 6-phosphate
ME591958
440641
C05345
804279
315
glucose-6-phosphate
Glucose 6-phosphate
ME592021
5958
C00092
808788
387
pseudo uridine
Pseudouridine
ME591944
15047
C02067
813899
217
galactose-6-phosphate
Galactose 6-phosphate
ME591928
439404
C01113
828102
387
inositol-4-monophosphate
Inositol 4-phosphate
ME591954
440043
C03546
846510
315
oleamide
Oleamide
ME591972
5283387
C19670
849710
144
dehydroabietic acid
Dehydroabietic acid
ME591971
94391
C12078
850374
239
arachidic acid
Arachidic acid
ME591964
10467
C06425
856421
117
uridine
Uridine
ME592055
6029
C00299
856709
224
serotonin
Serotonin
ME591918
5202
C00780
863824
174
arbutin
Arbutin
ME591999
-
-
895725
254
nicotianamine
(R,S,S)-Nicotianamine
ME591956
9882882
C05324
898928
186
1-monopalmitin
MG 16:0/0:0/0:0
ME591940
14900
C01885
901749
129
sucrose
Sucrose
ME592020
5988
C00089
912704
271
adenosine
Adenosine
ME592046
60961
C00212
918039
236
cellobiose
Cellobiose
ME591943
6255
C01971
932179
204
lactose
Lactose
ME591974
84571
-
935458
191
trehalose
Trehalose
ME591927
7427
C01083
948197
191
maltose
Maltose
ME592045
439186
C00208
954710
204
guanosine
Guanosine
ME592064
6802
C00387
954962
324
1-monostearin
MG 18:0/0:0/0:0
ME591973
24699
D01947
959214
203
beta-gentiobiose
beta-Gentiobiose
ME591968
441422
C08240
965352
160
5'-deoxy-5'-methylthioadenosine
5'-Methylthioadenosine
ME592037
439176
C00170
967036
236
squalene
Squalene
ME591916
638072
C00751
976237
95
epicatechin
Epicatechin
ME591969
72276
C09727
977307
368
catechin
Catechin
ME591967
9064
C06562
985007
368
melibiose
Melibiose
ME591960
440658
C05402
988497
361
palatinitol
1,2,3-Butanetriol
ME591981
88735
-
996670
204
galactinol
Galactinol
ME591930
11727586
C01235
998425
204
Analysis: HILIC POSITIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
(-)-Caryophyllene oxide
Caryophyllene alpha-oxide
ME592078
-
-
0.9
203.1791
cis-Jasmone
cis-Jasmone
ME592244
-
-
0.9
165.1271
Isoeugenyl acetate
-
ME592331
-
-
0.9
189.0906
1,4-Cyclohexanedione
-
ME592100
-
-
1
113.0595
2,4-Thiazolidinedione, 5-[[4-[2-(2-thienyl)ethoxy]...
-
ME592138
-
-
1
111.0261
3-Hydroxy-6,3',4'-trimethoxyflavone
-
ME592166
-
-
1
329.1013
4',7-Dimethoxy-3-hydroxyflavone
-
ME592177
-
-
1
299.0908
9-Oxo-10E,12Z-octadecadienoic acid
9-OxoODE
ME592201
-
-
1
277.2157
Allicin
Allicin
ME592218
-
-
1
163.0242
Curcumol
-
ME592250
-
-
1
219.1739
Erythrodiol
-
ME592283
-
-
1
413.3771
Geranic acid
Geranic acid
ME592293
-
-
1
169.122
Oleamide
Oleamide
ME592412
-
-
1
282.2786
Quercetin-3,7,3',4'-tetramethyl ether
-
ME592442
-
-
1
359.1118
Retinoic acid
Retinoic acid
ME592443
-
-
1
301.2159
Stearidonic acid
Stearidonic acid
ME592455
-
-
1
259.2053
Triethyl phosphate
Triethyl phosphate
ME592473
-
-
1
183.0777
Citric acid
Citric acid
ME592245
-
-
10
210.0605
Stachyose
Stachyose
ME592454
-
-
10
689.2094
D-myo-Inositol-1-phosphate
-
ME592274
-
-
10.1
261.0367
Digalacturonic acid
Digalacturonic acid
ME592262
-
-
10.2
388.1078_393.0633
1_D9-Choline iSTD
-
ME592128
-
-
106542840
ESI (+)
3,4-Dihydroxyphenylacetic acid
3,4-Dihydroxybenzeneacetic acid
ME592152
-
-
1.1
169.0492
3,7-Dihydroxy-3',4'-dimethoxyflavone
-
ME592156
-
-
1.1
315.0856
3-Cyclopentene-1-octanoic acid, 2-(3-hydroxy-1-pen...
-
ME592161
-
-
1.1
291.1948
3-Furancarboxylic acid, tetrahydro-4-methylene-2-o...
-
ME592163
-
-
1.1
237.1478
4'-Methoxypelargonidin
-
ME592184
-
-
1.1
285.0752
5,3'-Dihydroxy-6,7,4'-trimethoxyflavone
-
ME592188
-
-
1.1
345.0963
9(10)-Epoxy-12Z-octadecenoic acid
9(10)-EpOME
ME592199
-
-
1.1
297.2418
Abietic acid
Abietic acid
ME592202
-
-
1.1
123.1166_303.2317
Bisabolol oxide A
-
ME592235
-
-
1.1
221.1895
(-)-Carveol
-
ME592077
-
-
1.1
135.1165
.delta.-Octalactone
-
ME592095
-
-
1.1
143.1064
Indole-3-carboxaldehyde
1H-Indole-3-carboxaldehyde
ME592328
-
-
1.1
146.0597
N-Methylanthranilic acid
2-(Methylamino)benzoic acid
ME592401
-
-
1.1
152.0703
Pheophorbide a
Pheophorbide a
ME592426
-
-
1.1
593.2745
10-Hydroxy-2-decenoic acid
-
ME592132
-
-
1.2
133.1008_151.1114
2'-Deoxycytidine 5'-monophosphate
dCMP
ME592146
-
-
1.2
330.0417
5-Amino-1-methyl-2-piperidinone
-
ME592189
-
-
1.2
112.0755
(+)-Abscisic acid
Abscisic acid
ME592079
-
-
1.2
247.1324
Abscisic acid
Abscisic acid
ME592203
-
-
1.2
265.143
.beta.-Sitosterol
Sitosterol
ME592094
-
-
1.2
397.382
Caffeine
Caffeine
ME592237
-
-
1.2
195.0874
Propanoic acid, 2-(1H-benzimidazol-2-ylthio)-, 2-[...
-
ME592434
-
-
1.2
205.0492
Tri(ethylene glycol) monoethyl ether
-
ME592470
-
-
1.2
179.1274
1_D8-Phenylalanine iSTD
-
ME592124
-
-
12247054
ESI (+)
4-Methyl-5-thiazoleethanol
5-(2-Hydroxyethyl)-4-methylthiazole
ME592185
-
-
1.3
144.0475
4-Methylbenzyl alcohol
-
ME592186
-
-
1.3
105.0696
5-Hydroxy-2-methylpyridine
-
ME592191
-
-
1.3
110.0598
Benzyl alcohol
Benzyl alcohol
ME592233
-
-
1.3
91.0541
1_D3-L-Carnitine iSTD
-
ME592116
-
-
139970048
ESI (+)
1H-Imidazole, 1-[2-(4-methoxyphenyl)-2-[3-(4-metho...
-
ME592134
-
-
1.4
367.2085
3-Hydroxy-4-methoxybenzyl alcohol
-
ME592165
-
-
1.4
137.0594
3-Pyridinemethanol
-
ME592173
-
-
1.4
110.0598
5-Androstene-3.beta.,17.beta.-diol
-
ME592190
-
-
1.4
159.1165
9-Oxo-10E,12Z,15Z-octadecatrienoic acid
-
ME592200
-
-
1.4
275.2
Acetyl coenzyme A
Acetyl-CoA
ME592204
-
-
1.4
303.1369
Aleuritic acid
-
ME592216
-
-
1.4
269.2107_305.2318
N6-Isopentenyladenosine
N6-Isopentenyladenosine
ME592385
-
-
1.4
336.1646
Sedanolide
-
ME592448
-
-
1.4
149.1321
Shikimic acid
Shikimic acid
ME592451
-
-
1.4
121.0316
Thymol
Thymol
ME592464
-
-
1.4
151.1114
1_D5-L-Glutamine iSTD
-
ME592120
-
-
14507217
ESI (+)
1_D5-Glutamic acid iSTD
-
ME592119
-
-
15113738
ESI (+)
2,6-Di-tert-butyl-4-hydroxymethylphenol
-
ME592140
-
-
1.6
219.1738
Monolinolenin (9c,12c,15c)
-
ME592375
-
-
1.6
353.2679_335.2573
Nicotinamide
Niacinamide
ME592396
-
-
1.6
123.055
Tetradonium
-
ME592459
-
-
1.6
256.2994
1-Hexadecylamine
1-Hexadecylamine
ME592133
-
-
1.7
242.2838
3-Pyridinecarboxaldehyde
3-Pyridinecarboxaldehyde
ME592172
-
-
1.7
108.0441
Tributylamine
Tributylamine
ME592471
-
-
1.7
186.2213
Valerenic acid
-
ME592484
-
-
1.7
235.1688
1_D4-Cystine iSTD
-
ME592118
-
-
1741027
ESI (+)
1_D7-Arginine iSTD
-
ME592122
-
-
17902142
ESI (+)
(2-oxo-2,3-dihydro-1H-indol-3-yl)acetic acid
2-Oxindole-3-acetate
ME592083
-
-
1.8
192.0684
1_D3-DL-Glutamic acid iSTD
-
ME592114
-
-
18052860
ESI (+)
Acetyleugenol
-
ME592206
-
-
1.9
165.0907
Ginkgotoxin
Ginkgotoxin
ME592295
-
-
1.9
152.0703
1_Val-Tyr-Val iSTD
Val-Tyr-Val
ME592131
-
-
1908740
ESI (+)
1_D3-DL-Alanine iSTD
-
ME592113
-
-
19306786
ESI (+)
4-(Hydroxymethyl)-1-isopropyl-3-cyclohexen-1-yl be...
-
ME592175
-
-
2
355.1721
Coniferyl alcohol
Coniferyl alcohol
ME592247
-
-
2
131.0489
Linalool oxide
-
ME592350
-
-
2
153.1271
Pyridoxal phosphate
Pyridoxal 5'-phosphate
ME592437
-
-
2
150.0546
Tripropylamine
-
ME592474
-
-
2
144.1743
1_CUDA iSTD
-
ME592105
-
-
20312430
ESI (+)
1_D10-Isoleucine iSTD
-
ME592106
-
-
20378674
ESI (+)
4-Acetamidobutyric acid
4-Acetamidobutanoic acid
ME592178
-
-
2.1
146.0809
(+)-Catechin
Catechin
ME592081
-
-
2.1
291.0859_123.0471
Nipecotic acid
-
ME592399
-
-
2.1
130.086
N-Methyl-L-threonine
-
ME592404
-
-
2.1
134.0808
4-Hydroxyhippuric acid
4-Hydroxyhippuric acid
ME592182
-
-
2.2
196.0601
Iberin
-
ME592325
-
-
2.2
105.0367
N-3-Hydroxydecanoyl-L-homoserine lactone
-
ME592384
-
-
2.2
102.0547
2'-O-Methyladenosine
2'-O-Methyladenosine
ME592149
-
-
2.4
282.1194
Dicyclohexylamine
N,N-Dicyclohexylamine
ME592261
-
-
2.4
182.1899
5'-S-Methyl-5'-thioadenosine
5'-Methylthioadenosine
ME592194
-
-
2.5
298.0963
1_D9-Butyrobetaine iSTD
-
ME592127
-
-
250531232
ESI (+)
Castanospermine
Castanospermine
ME592240
-
-
2.6
190.1071
trans-3,5-Dimethoxy-4-hydroxycinnamaldehyde
Sinapoyl aldehyde
ME592466
-
-
2.6
209.0804
1_D3-1-Methylnicotinamide iSTD
-
ME592108
-
-
268225904
ESI (+)
1,3-Benzenediol, 5-methyl-4-[(1R,6R)-3-methyl-6-(1...
-
ME592099
-
-
2.7
135.1165
DL-.beta.-Homoleucine
-
ME592266
-
-
2.7
146.1172
Farnesal
-
ME592286
-
-
2.7
203.1789
N-2-Hydroxycyclopentyladenosine
-
ME592383
-
-
3.1
352.1611
Tiliroside
-
ME592465
-
-
3.1
595.1431
1_D3-Aspartic Acid iSTD
-
ME592110
-
-
3321852
ESI (+)
Pantothenic acid
Pantothenic acid
ME592416
-
-
3.4
220.1175
1_D3-Creatinine iSTD
-
ME592112
-
-
347542240
ESI (+)
1_D9-Betaine iSTD
-
ME592126
-
-
348940640
ESI (+)
(+)-Dihydrocervone
-
ME592082
-
-
3.5
153.127
Pyridoxine
Pyridoxine
ME592439
-
-
3.5
170.0808
1_D9-Crotonobetaine iSTD
-
ME592129
-
-
356256800
ESI (+)
p-Coumaric acid
cis-p-Coumaric acid
ME592417
-
-
3.6
165.0543
roseoside
-
ME592444
-
-
3.6
387.2005
2'-Deoxyadenosine
Deoxyadenosine
ME592145
-
-
3.8
252.1087
1_D8-Tryptophan iSTD
-
ME592125
-
-
3849507
ESI (+)
2-tert-Butyl-p-quinone
-
ME592151
-
-
4
137.0958
(3R)-4,4-Dimethyl-2-oxotetrahydro-3-furanyl beta-D...
-
ME592086
-
-
4
315.1045
Mevalonic acid
Mevalonic acid
ME592374
-
-
4
131.07
Nicotinic acid
Nicotinic acid
ME592398
-
-
4
124.0391
trans-4-Hydroxy-L-proline
trans-4-Hydroxyproline
ME592467
-
-
4
132.0652
Eleutheroside B
Syringin
ME592280
-
-
4.1
395.1304
1_D3-Histamine, N-methyl- iSTD
-
ME592115
-
-
4129051
ESI (+)
(3,4-Dihydroxyphenyl)ethanol
-
ME592084
-
-
4.2
119.0489
4-Pyridoxic acid
4-Pyridoxic acid
ME592187
-
-
4.3
184.0635
1_D10-Leucine iSTD
-
ME592107
-
-
43160664
ESI (+)
1_D5-Threonine iSTD
-
ME592121
-
-
4337174
ESI (+)
4-Ketopimelic acid
-
ME592183
-
-
4.4
129.0543
Dimethyl succinate
Dimethyl succinate
ME592264
-
-
4.4
115.0388
Sinapyl alcohol
Sinapyl alcohol
ME592452
-
-
4.4
193.0856
Adenine
Adenine
ME592207
-
-
4.5
136.0615
Astragalin
-
ME592232
-
-
4.5
449.107
D-erythro-Imidazolylglycerol phosphate
-
ME592257
-
-
4.5
111.055
(S)-(-)-.alpha.-Methylbenzylamine
-
ME592088
-
-
4.5
105.0697
Creatinine
Creatinine
ME592249
-
-
4.7
114.0659
N-Methyltryptamine
N-Methyltryptamine
ME592408
-
-
4.7
144.0805
Adenosine
Adenosine
ME592208
-
-
4.8
268.1035
Luteolin 7-glucoside
-
ME592358
-
-
4.8
471.089
Tryptamine
Tryptamine
ME592476
-
-
4.8
161.1069
Uracil
Uracil
ME592480
-
-
4.8
113.0343
Uridine
Uridine
ME592481
-
-
4.8
267.0585
1-naphthylamine
1-Naphthylamine
ME592137
-
-
4.9
144.0804
L-NG-Monomethylarginine
-
ME592354
-
-
4.9
144.1128
Luteolin
Luteolin
ME592357
-
-
4.9
287.0546
3,4-Dimethylmethcathinone
-
ME592154
-
-
5
174.1292
3-Methylthiopropylamine
3-Methylthiopropylamine
ME592171
-
-
5
106.0682
Choline
Choline
ME592241
-
-
5
104.1066
4-Hydroxy-3-methoxyamphetamine
-
ME592181
-
-
5.1
182.1172
.alpha.-Ionone
alpha-Ionone
ME592091
-
-
5.1
175.1477
Geraniol
Methyl geranate
ME592294
-
-
5.1
137.1322
Phytosphingosine
Phytosphingosine
ME592428
-
-
5.1
318.2997
3-Methoxytyramine
3-Methoxytyramine
ME592167
-
-
5.3
151.075
Isovaleryl-L-carnitine
CAR 4:0;3Me
ME592333
-
-
5.3
246.1695
Phenylacetaldehyde
Phenylacetaldehyde
ME592421
-
-
5.3
121.0646
trans-Traumatic acid
Traumatic acid
ME592469
-
-
5.3
193.122
1_D7-Proline iSTD
-
ME592123
-
-
53751872
ESI (+)
N2,N2-Dimethylguanosine
N2,N2-Dimethylguanosine
ME592382
-
-
5.5
312.1296
Phenylacetaldehyde isomer a
Phenylacetaldehyde
ME592422
-
-
5.5
103.054
Phenylacetaldehyde isomer b
Phenylacetaldehyde
ME592423
-
-
5.5
121.0645
Phenylethanolamine B
-
ME592425
-
-
5.5
138.0911
2'-O-Methylguanosine
2'-O-Methylguanosine
ME592150
-
-
5.7
298.1142
(R)-Butyrylcarnitine
CAR 4:0
ME592087
-
-
5.7
232.1539
Apiin
Apiin
ME592220
-
-
5.8
433.1119
His-Pro
His-Pro
ME592319
-
-
5.8
235.1185
Indole-3-pyruvic acid
Indolepyruvate
ME592329
-
-
5.8
204.0651
Pelargonidin
Pelargonidin
ME592418
-
-
5.8
289.0701
5-Methylcytosine
5-Methylcytosine
ME592193
-
-
5.9
126.0659
Feruloylputrescine
Subaphylline
ME592287
-
-
5.9
265.1543
L-Glutamic acid, dimethyl ester
-
ME592346
-
-
5.9
144.0652
N-omega-Acetylhistamine
N-Acetylglutamine
ME592410
-
-
5.9
154.0971
2-Amino-2-methyl-1,3-propanediol
-
ME592143
-
-
6
106.086
Ile-Ile
Ile-Ile
ME592327
-
-
6
245.1855
Phloretin
Phloretin
ME592427
-
-
6
275.0909
1-Methylnicotinamide
1-Methyl nicotinamide
ME592135
-
-
6.1
137.0708
Kaempferol-3-O-rutinoside
Kaempferol-3-O-rutinoside
ME592334
-
-
6.1
595.1646
Kaempferol-7-O-neohesperidoside
Kaempferol-7-O-neohesperidoside
ME592335
-
-
6.1
617.1459
N-Methylphenylalanine
-
ME592406
-
-
6.1
180.1016
1_D3-Serine iSTD
-
ME592117
-
-
6141169
ESI (+)
1_D3-AC(2:0) iSTD
-
ME592109
-
-
61678492
ESI (+)
(+)-Camphor
Camphor
ME592080
-
-
6.2
153.127
DL-Octopamine
-
ME592270
-
-
6.2
136.0755
Hypoxanthine
Hypoxanthine
ME592324
-
-
6.2
137.0455
Inosine
Inosine
ME592330
-
-
6.2
291.0695
Leu-Phe
Leu-Phe
ME592344
-
-
6.2
279.1698
1-Methyltryptophan
1-Methyltryptophan
ME592136
-
-
6.3
219.1121
Dikegulac acid
-
ME592263
-
-
6.3
275.1097
Propionylcarnitine
CAR 3:0
ME592435
-
-
6.3
218.1382
Swainsonine
-
ME592457
-
-
6.3
174.1122
2'-Deoxyguanosine
Deoxyguanosine
ME592147
-
-
6.4
268.1035
3,7,4'-Trihydroxyflavone
-
ME592155
-
-
6.4
271.0593
5-Methylcytidine
5-Methylcytidine
ME592192
-
-
6.4
258.1082
1_15N2-L-Arginine iSTD
-
ME592104
-
-
6451924
ESI (+)
L-Leucyl-L-leucine methyl ester
-
ME592352
-
-
6.5
146.1172
Triethanolamine
Triethanolamine
ME592472
-
-
6.5
150.1122
Methacholine
Methacholine
ME592370
-
-
6.6
160.1329
N-Acetyl-DL-valine
-
ME592391
-
-
6.6
160.0965
2-Aminoadipic acid
alpha-Aminoadipic acid
ME592144
-
-
6.7
144.0652_162.0757
6-[5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-o...
-
ME592195
-
-
6.7
493.0969
Caffeic acid
Caffeic acid
ME592236
-
-
6.7
181.0492
Thiamine
Thiamine
ME592460
-
-
6.7
265.1113
trans-Ferulic acid
trans-Ferulic acid
ME592468
-
-
6.7
177.0542
2-Amino-1-phenylethanol
2-Hydroxyphenethylamine
ME592142
-
-
6.8
120.0806
Cytidine
Cytidine
ME592252
-
-
6.8
244.0923
Cytosine
Cytosine
ME592254
-
-
6.8
112.0503
L-Tryptophan
Tryptophan
ME592356
-
-
6.8
188.0703
N-acetyl putrescine
N-Acetylputrescine
ME592387
-
-
6.8
131.1176
Phenylalanine
Phenylalanine
ME592424
-
-
6.8
166.0859
Tryptophan
Tryptophan
ME592477
-
-
6.8
205.0969
Ethyl 4-hydroxyquinoline-2-carboxylate
-
ME592285
-
-
6.9
218.0761
N.alpha.-Methyl-L-lysine
N(2)-Methyl-lysine
ME592380
-
-
6.9
144.1015
N-Methylvaline
N-Methyl-valine
ME592409
-
-
6.9
132.1016
Pro-Glu
Pro-Glu
ME592430
-
-
6.9
245.1145
3-Methylcytidine
3-Methylcytidine
ME592168
-
-
7
258.1081
Apigenin 7-O-neohesperidoside
-
ME592219
-
-
7
579.1697
1,5-Pentanediamine
Cadaverine
ME592101
-
-
7.1
86.0962
Acetylcarnitine
CAR 2:0
ME592205
-
-
7.1
204.1227
Betaine
Betaine
ME592234
-
-
7.1
118.0859
Guanine
Guanine
ME592316
-
-
7.1
152.0564
Guanosine
Guanosine
ME592317
-
-
7.1
284.0984
Isoleucine
Isoleucine
ME592332
-
-
7.1
132.1016
N-Methylproline
N-Methyl-proline
ME592407
-
-
7.1
130.0859
Ethanolamine
Ethanolamine
ME592284
-
-
7.2
62.0601
4-Aminobenzoic acid
p-Aminobenzoic acid
ME592179
-
-
7.3
138.0546
6-Methyladenosine
N6-Methyladenosine
ME592196
-
-
7.3
282.1192
L-Methionine
Methionine
ME592353
-
-
7.3
133.0314
Methionine
Methionine
ME592371
-
-
7.3
150.058
N-Acetyl-D-glucosamine
N-Acetyl-D-glucosamine
ME592389
-
-
7.3
244.0788
6''-O-Malonylgenistin
-
ME592197
-
-
7.4
519.1121
7-Methylguanosine
7-Methylguanosine
ME592198
-
-
7.4
298.1141
Nicotinamide riboside
Nicotinamide riboside
ME592397
-
-
7.4
123.055_255.097
4-Guanidinobutyric acid
4-Guanidinobutanoic acid
ME592180
-
-
7.6
146.0921
Ala-Ile
Ala-Ile
ME592212
-
-
7.6
203.1387
Tyrosine
Tyrosine
ME592479
-
-
7.6
182.0809
(3-Carboxypropyl)trimethylammonium
-
ME592085
-
-
7.7
146.1172
Carnitine
Carnitine
ME592238
-
-
7.7
162.1121
DL-Lanthionine
-
ME592269
-
-
7.7
120.0111
D-Sorbitol
Sorbitol
ME592277
-
-
7.7
183.086
Glabridin
-
ME592296
-
-
7.7
189.094
L-(.+/-.)-Alliin
-
ME592336
-
-
7.7
178.0528_200.0348
N-Methylalanine
N-Methylalanine
ME592400
-
-
7.7
104.0703
Pipecolic acid
Pipecolic acid
ME592429
-
-
7.7
130.086
Proline
Proline
ME592432
-
-
7.7
116.0704
1_D3-Creatine iSTD
-
ME592111
-
-
77982160
ESI (+)
2,6-Diaminopimelic acid
2,6-Diaminopimelic acid
ME592139
-
-
7.8
128.0704
Ergothioneine
Ergothioneine
ME592281
-
-
7.8
230.0954
.gamma.-Aminobutyric acid
gamma-Aminobutyric acid
ME592096
-
-
7.8
86.0599_104.0704
L-beta-Homothreonine
-
ME592341
-
-
7.8
134.0809
Tris(hydroxymethyl)aminomethane
2-Amino-2-methylol-propane-1,3-diol
ME592475
-
-
7.8
122.0809
4-(2-Hydroxyethyl)piperazine-1-ethanesulfonic acid
-
ME592174
-
-
7.9
239.1055
Alanine
Alanine
ME592214
-
-
8
90.0548
Creatine
Creatine
ME592248
-
-
8
132.0765
DL-2-Methylglutamic acid
N-Methyl-glutamic acid
ME592267
-
-
8
144.0652
DL-.alpha.-Aminopimelic acid
-
ME592265
-
-
8
176.0913
gamma-Glutamylleucine
gamma-Glutamylleucine
ME592290
-
-
8
261.1441
N-Acetylhistidine
N-Acetylhistidine
ME592392
-
-
8
198.087
N-.alpha.-Acetyl-L-arginine
N-Acetylarginine
ME592378
-
-
8
217.1291
N-epsilon-Acetyllysine
N6-Acetyllysine
ME592395
-
-
8
189.123
1_D9-TMAO iSTD
-
ME592130
-
-
80877928
ESI (+)
.beta.-Carboline-1-propionic acid
-
ME592092
-
-
8.1
263.0734
DL-Phenylalanine
Phenylalanine
ME592272
-
-
8.1
166.0859
Glu-Phe
Glu-Phe
ME592304
-
-
8.1
295.1282
Histamine
Histamine
ME592320
-
-
8.1
112.0867
N-Carboxyethyl-.gamma.-aminobutyric acid
N-Carboxyethyl-gamma-aminobutyric acid
ME592394
-
-
8.1
176.0914
3,4-Dihydroxyphenylalanine (DOPA)
-
ME592153
-
-
8.2
198.0733
4,4-Dimethyl-L-glutamic acid
-
ME592176
-
-
8.2
176.0914
D-Turanose
-
ME592278
-
-
8.2
325.1121_360.1491
.gamma.-Glutamyl-(S)-allyl-L-cysteine
-
ME592097
-
-
8.2
162.058_291.1002
N-Acetyl-D-galactosaminitol
N-Acetyl-D-galactosaminitol
ME592388
-
-
8.2
206.102
N-Methylglutamic acid
N-Methyl-glutamic acid
ME592402
-
-
8.2
162.0758
S-Allyl-L-Cysteine
S-Allylcysteine
ME592447
-
-
8.2
162.0579
Threonine
Threonine
ME592463
-
-
8.2
120.0653
Ala-Ala
Ala-Ala
ME592211
-
-
8.3
161.0917
Glycine
Glycine
ME592312
-
-
8.3
76.0392
L-Histidinol
L-Histidinol
ME592349
-
-
8.3
142.0972
O-Methyl-L-threonine
-
ME592413
-
-
8.3
134.0809
1,3,4,6-Tetra-O-acetyl-.beta.-D-mannopyranose
-
ME592098
-
-
8.4
109.0282
3.alpha.-Galactobiose
-
ME592159
-
-
8.4
347.094
3.alpha.-Mannobiose
-
ME592160
-
-
8.4
343.1227
3'-Galactosyllactose
-
ME592164
-
-
8.4
509.1465
D-2-Aminoadipic acid
-
ME592256
-
-
8.4
162.0757
D-(+)-Trehalose
Trehalose
ME592255
-
-
8.4
360.1491
D-Xylulose
L-Ribulose
ME592279
-
-
8.4
115.0387
Galactosamine
Galactosamine
ME592289
-
-
8.4
180.0862
gamma-Glutamylmethionine
gamma-Glutamylmethionine
ME592291
-
-
8.4
279.1004
Gln-Gln
Gln-Gln
ME592299
-
-
8.4
275.1344
N-Acetyl-D-lactosamine
N-Acetyllactosamine
ME592390
-
-
8.4
204.0862
Val-Gln
Val-Gln
ME592485
-
-
8.4
246.1444
Glutamine
Glutamine
ME592307
-
-
8.5
147.076
L-Glutamine
Glutamine
ME592347
-
-
8.5
130.0496
Linamarin
Linamarin
ME592351
-
-
8.5
248.1125
Methionine sulfoxide
Methionine sulfoxide
ME592372
-
-
8.5
188.0348
Methioninesulfoxide A
-
ME592373
-
-
8.5
166.0529
PyroGlu-Pro
-
ME592440
-
-
8.5
227.0998
Thr-Ala
Thr-Ala
ME592461
-
-
8.5
191.1022
Allantoic acid
Allantoic acid
ME592217
-
-
8.6
177.0614
Arg-Leu
Arg-Leu
ME592226
-
-
8.6
288.2025
Chromone-3-carboxylic acid
Chromone-3-carboxylic acid
ME592242
-
-
8.6
191.0398
D-Mannosamine
2-Amino-2-deoxy-D-mannose
ME592273
-
-
8.6
162.0757
gamma-Glutamyltyrosine
gamma-Glutamyltyrosine
ME592292
-
-
8.6
311.1231
His-Val
His-Val
ME592322
-
-
8.6
255.1447
Lactitol
Lactitol
ME592338
-
-
8.6
367.1201
Proline-hydroxyproline
Pro-hydroxyPro
ME592433
-
-
8.6
229.1178
Serine
Serine
ME592450
-
-
8.6
106.0496
2-Hydroxy-5-nitrobenzyl alcohol
-
ME592148
-
-
8.7
170.042
.alpha.-Guanidinoglutaric acid
alpha-Guanidinoglutaric acid
ME592090
-
-
8.7
102.0548
Asparagine
Asparagine
ME592231
-
-
8.7
133.0604
Gln-Ala
Gln-Ala
ME592297
-
-
8.7
218.1131
Glu-Gly-Arg
Glu-Gly-Arg
ME592303
-
-
8.7
361.1821
Glutamic acid
Glutamic acid
ME592306
-
-
8.7
148.06
Glycyl-L-4-hydroxyproline
-
ME592313
-
-
8.7
189.0866
L-Asparagine
Asparagine
ME592339
-
-
8.7
116.034
Phe-Arg
Phe-Arg
ME592419
-
-
8.7
322.1866
Pyroglutamic acid
Pyroglutamic acid
ME592441
-
-
8.7
130.0496
S-Adenosyl-homocysteine
S-Adenosylhomocysteine
ME592445
-
-
8.7
385.1279
Citrulline
Citrulline
ME592246
-
-
8.8
176.1026
D-Glucosamine
Glucosamine
ME592259
-
-
8.8
162.0757
Glu-Phe-Arg
Glu-Phe-Arg
ME592305
-
-
8.8
451.2289
Gly-Glu-Lys
Gly-Glu-Lys
ME592314
-
-
8.8
333.1762
L-Citrulline
Citrulline
ME592342
-
-
8.8
176.1027_159.0761
Leu-Arg
Leu-Arg
ME592343
-
-
8.8
288.2024
Lys-Leu
Lys-Leu
ME592363
-
-
8.8
260.1965
N8-Acetylspermidine
N8-Acetylspermidine
ME592386
-
-
8.8
188.1754
Phe-Lys
Phe-Lys
ME592420
-
-
8.8
294.1807
S-Methyl-L-cysteine
Methylcysteine
ME592453
-
-
8.8
119.0159
Sucrose
Sucrose
ME592456
-
-
8.8
365.1047_307.1017
Agmatine
Agmatine
ME592210
-
-
8.9
131.1289
Gly-Leu-Arg
Gly-Leu-Arg
ME592315
-
-
8.9
345.2238
Ile-Arg
Ile-Arg
ME592326
-
-
8.9
288.2025
N,N-Dimethylarginine
Dimethylarginine
ME592376
-
-
8.9
203.1499
Adenosine 5'-monophosphate
AMP
ME592209
-
-
9
348.0698_370.0515
Arg-Val
Arg-Val
ME592229
-
-
9
274.1867
Glutathione (reduced)
Glutathione
ME592308
-
-
9
308.0905
Maltitol
Maltitol
ME592365
-
-
9
367.1203
N-.alpha.-Acetyl-L-ornithine
N-Acetylornithine
ME592379
-
-
9
115.0864_175.1073
1-.beta.-D-Arabinofuranosyluracil 5'-monophosphate
-
ME592103
-
-
9.1
369.0064
3-Deoxy-D-glycero-D-galacto-2-nonulosonic acid
3-Deoxy-D-glycero-D-galacto-2-nonulosonic acid
ME592162
-
-
9.1
313.05
.beta.-Gentiobiose
beta-Gentiobiose
ME592093
-
-
9.1
325.1122_360.1494
Gln-Leu-Arg
Gln-Leu-Arg
ME592300
-
-
9.1
416.2607
Met-Arg
Met-Arg
ME592369
-
-
9.1
306.159
Pro-Leu-Lys
Pro-Leu-Lys
ME592431
-
-
9.1
357.2491
Uridine 5'-monophosphate
UMP
ME592482
-
-
9.1
347.0244_325.0425
3.alpha.,4.beta.-Galactotriose
-
ME592158
-
-
9.2
527.1573
3-Methylhippuric acid
-
ME592169
-
-
9.2
119.0529
Ala-Val-Arg
Ala-Val-Arg
ME592215
-
-
9.2
345.2238
.alpha.,.beta.-Trehalose
-
ME592089
-
-
9.2
360.1493
Arg-Tyr
Arg-Tyr
ME592228
-
-
9.2
338.1818
Cinnamaldehyde
Cinnamaldehyde
ME592243
-
-
9.2
133.0605
D-Psicose
Psicose
ME592275
-
-
9.2
127.0387
D-Pyroglutamic acid
-
ME592276
-
-
9.2
130.0496
L-Aspartic acid
Aspartic acid
ME592340
-
-
9.2
134.0445_116.034
L-Glutamic acid
Glutamic acid
ME592345
-
-
9.2
148.0601
Lys-Val
Lys-Val
ME592364
-
-
9.2
246.1807
N-Methyllysine
N(6)-Methyllysine
ME592405
-
-
9.2
161.1281
Palatinose
Palatinose
ME592415
-
-
9.2
289.0914
Putrescine
Putrescine
ME592436
-
-
9.2
89.1071
Targinine
Targinine
ME592458
-
-
9.2
189.1342
Tyr-Lys
Tyr-Lys
ME592478
-
-
9.2
310.1754
Val-Arg
Val-Arg
ME592483
-
-
9.2
274.1869
1,6-Anhydro-2,3-O-isopropylidene-.beta.-D-mannopyr...
-
ME592102
-
-
9.3
127.0387
Glu-Thr
Glu-Thr
ME592309
-
-
9.3
249.1076
Homoarginine
Homoarginine
ME592323
-
-
9.3
189.1342
L-Histidine
Histidine
ME592348
-
-
9.3
156.0765
Melezitose
Melezitose
ME592367
-
-
9.3
527.157
N-Acetylneuraminic acid
N-Acetylneuraminic acid
ME592393
-
-
9.3
310.1128
N.epsilon.-Methyl-L-lysine
N(6)-Methyllysine
ME592381
-
-
9.3
161.1281
Val-Lys
Val-Lys
ME592486
-
-
9.3
246.1808
3-Methylhistidine
3-Methylhistidine
ME592170
-
-
9.4
170.092
Erlose
Erlose
ME592282
-
-
9.4
543.131_527.1572
Histidine
Histidine
ME592321
-
-
9.4
156.0764
L-.gamma.-Glutamyl-L-glutamic acid
gamma-Glutamylglutamic acid
ME592337
-
-
9.4
277.1027
N-.alpha.-(tert-Butoxycarbonyl)-L-histidine
-
ME592377
-
-
9.4
110.071
N-Tetradecanoyl-DL-homoserine lactone
-
ME592411
-
-
9.4
102.0547
2-alpha-Mannobiose
-
ME592141
-
-
9.5
343.1228
Arg-Pro
Arg-Pro
ME592227
-
-
9.5
272.1712
Cytidine-5'-monophosphate
CMP
ME592253
-
-
9.5
324.0583
D-Fructose 6-phosphate
Fructose 6-phosphate
ME592258
-
-
9.5
283.0186
DL-Arginine
Arginine
ME592268
-
-
9.5
130.0972
Lysine
Lysine
ME592362
-
-
9.5
147.1125
N-Methyl-L-proline
N-Methyl-proline
ME592403
-
-
9.5
130.086
Pyridoxamine
Pyridoxamine
ME592438
-
-
9.5
169.0944
Arg-Ala
Arg-Ala
ME592221
-
-
9.6
246.1556
Carnosine
Carnosine
ME592239
-
-
9.6
227.1132
DL-Ornithine
Ornithine
ME592271
-
-
9.6
116.0704
H-gamma-glutamyl-glutamine
gamma-Glutamylglutamine
ME592318
-
-
9.6
276.1186
Lys-Ala
Lys-Ala
ME592359
-
-
9.6
218.1494
Maltotriose
Maltotriose
ME592366
-
-
9.6
505.1755_527.1573
Ornithine
Ornithine
ME592414
-
-
9.6
133.0969
3.alpha.,4.beta.,3.alpha.-Galactotetraose
-
ME592157
-
-
9.7
689.2095
Ala-Lys
Ala-Lys
ME592213
-
-
9.7
218.1493
D-Glucose 6-phosphate
Glucose 6-phosphate
ME592260
-
-
9.7
243.026_283.0184
Galactinol
Galactinol
ME592288
-
-
9.7
343.1229
Glucose 1-phosphate
Glucose 1-phosphate
ME592301
-
-
9.7
283.0184_261.0367
Gly-Ala-Lys
Gly-Ala-Lys
ME592310
-
-
9.7
275.1707
Gly-Arg
Gly-Arg
ME592311
-
-
9.7
232.14
Melibiose
Melibiose
ME592368
-
-
9.7
360.1494
Thr-Arg
Thr-Arg
ME592462
-
-
9.7
276.1662
Arg-Gln
Arg-Gln
ME592222
-
-
9.8
303.1771
Arg-Gly
Arg-Gly
ME592223
-
-
9.8
232.1399
Asn-Arg
Asn-Arg
ME592230
-
-
9.8
289.1613
Gln-Arg
Gln-Arg
ME592298
-
-
9.8
303.177
Glucose-6-phosphate
Glucose 6-phosphate
ME592302
-
-
9.8
261.0367
L-Saccharopine
Saccharopine
ME592355
-
-
9.8
277.1389
Lys-Gln
Lys-Gln
ME592360
-
-
9.8
275.1707
Lys-Gly
Lys-Gly
ME592361
-
-
9.8
204.1338
Ser-Arg
Ser-Arg
ME592449
-
-
9.8
262.1506
Arginine; [M+H]+; HCD (NCE 20-30-40%)
Arginine
ME592224
-
-
9.9
175.1186
Argininosuccinic acid
Argininosuccinic acid
ME592225
-
-
9.9
291.1295
Cystine
Cystine
ME592251
-
-
9.9
241.0307
S-Adenosyl-L-methionine
S-Adenosylmethionine
ME592446
-
-
9.9
399.1436
Analysis: HILIC NEGATIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
1-Pentanone, 1-(4-hydroxy-3-methoxyphenyl)-2-(1-py...
-
ME592577
-
-
1
276.1602
Abietic acid?
Abietic acid
ME592652
-
-
1
301.2173
Geranic acid
Geranic acid
ME592732
-
-
1
167.1067
Linoleic acid
Linoleic acid
ME592616
-
-
1
279.2328
O,O-Dimethyl dithiophosphate
-
ME592741
-
-
1
156.9541
Palmitic acid
Palmitic acid
ME592540
-
-
1
255.2328
Stachyose
Stachyose
ME592681
-
-
10
665.215
Tartaric acid
Tartaric acid
ME592497
-
-
10
149.008
Uridine diphosphate galactose
Uridine diphosphategalactose
ME592526
-
-
10
565.0479
Digalacturonic acid
Digalacturonic acid
ME592534
-
-
10.2
369.0672
Galactonic acid
Galactonic acid
ME592642
-
-
10.2
195.0502
Glutathione (oxidized)
Glutathione
ME592724
-
-
10.2
611.1432
Mucic acid
Galactaric acid
ME592489
-
-
10.2
209.0297
Verbascose
Verbascose
ME592500
-
-
10.3
827.2685
D-Gluconic acid
Gluconic acid
ME592643
-
-
10.8
195.0502
2,6-Dihydroxybenzoic acid
2,6-Dihydroxybenzoic acid
ME592507
-
-
1.1
153.0182
2-Hydroxybenzaldehyde
2-Hydroxybenzaldehyde
ME592661
-
-
1.1
121.0282
3-Hydroxyphenylacetic acid
3-Hydroxyphenylacetic acid
ME592504
-
-
1.1
151.0389
4-Hydroxyphenylpyruvic acid
4-Hydroxyphenylpyruvic acid
ME592563
-
-
1.1
179.0341
5,3'-Dihydroxy-6,7,4'-trimethoxyflavone
-
ME592565
-
-
1.1
343.0822
(.+/-.)7-epi-Jasmonic acid
-
ME592735
-
-
1.1
209.1177
9-Hydroperoxy-10E,12Z,15Z-octadecatrienoic acid
-
ME592656
-
-
1.1
309.207
9S-Hydroperoxy-10E,12Z-octadecadienoic acid
9S-HpODE
ME592548
-
-
1.1
293.2121
beta-Hydroxymyristic acid
3-Hydroxytetradecanoic acid
ME592541
-
-
1.1
243.1962
Coniferylaldehyde
Coniferyl aldehyde
ME592748
-
-
1.1
177.0548
Indole-3-carboxaldehyde
1H-Indole-3-carboxaldehyde
ME592612
-
-
1.1
144.0443
Ursolic acid
Ursolic acid
ME592698
-
-
1.1
455.353
16-Hydroxyhexadecanoic acid
Juniperic acid
ME592674
-
-
1.2
271.2278
1_CUDA Istd
-
ME592753
-
-
1.2
339.265
2-Amino-3-methoxybenzoic acid
3-Methoxyanthranilic acid
ME592668
-
-
1.2
166.05
3-Aminosalicylic acid
3-Aminosalicylic acid
ME592542
-
-
1.2
108.0442
3-Indoleacetic acid
Indoleacetic acid
ME592659
-
-
1.2
174.0551
4-Methylcatechol
4-Methylcatechol
ME592728
-
-
1.2
123.0439
4-Methylumbelliferone
4-Methylumbelliferone
ME592527
-
-
1.2
175.0389
7-Hydroxy-3-(4-hydroxyphenyl)-4-methylcoumarin
-
ME592602
-
-
1.2
267.0662_327.0872
(+)-Abscisic acid
Abscisic acid
ME592551
-
-
1.2
153.0909
Abscisic acid
Abscisic acid
ME592552
-
-
1.2
263.1287
Cinnamic acid
trans-Cinnamic acid
ME592697
-
-
1.2
147.044
Dihydroisoferulic acid
-
ME592739
-
-
1.2
195.065
Homogentisic acid
Homogentisic acid
ME592533
-
-
1.2
149.0233
Luteolin 7-methyl ether
-
ME592650
-
-
1.2
299.0559
P-Anisic acid
-
ME592731
-
-
1.2
151.0389
trans-Ferulic acid
trans-Ferulic acid
ME592568
-
-
1.2
193.0498
1,3-Cyclohexanedicarboxylic acid
-
ME592711
-
-
1.3
171.0653
Ferulic acid
trans-Ferulic acid
ME592569
-
-
1.3
193.0498
Indole-3-carboxylic acid
Indole-3-carboxylic acid
ME592566
-
-
1.3
160.0394
trans-Traumatic acid
Traumatic acid
ME592582
-
-
1.3
227.1283
Vanillic acid
Vanillic acid
ME592702
-
-
1.3
167.0339
1,3 Cyclohexanedione
Cyclohexane-1,3-dione
ME592519
-
-
1.4
111.0439
2,4-Dichlorobenzoic acid
2,4-Dichlorobenzoic acid
ME592531
-
-
1.4
188.9507
2-Chloro-N6-cyclopentyladenosine
-
ME592720
-
-
1.4
368.1147
2-Hydroxyphenylacetic acid
2-Hydroxyphenylacetic acid
ME592640
-
-
1.4
151.0392
3-(3-Hydroxyphenyl)propionic acid
3-(3-Hydroxyphenyl)propanoic acid
ME592636
-
-
1.4
165.0547
(3,4-Dihydroxyphenyl)ethanol
-
ME592555
-
-
1.4
153.0546
4-Hydroxy-6-methyl-2-pyrone
-
ME592599
-
-
1.4
125.0232
4-Vinylphenol;
4-Hydroxystyrene
ME592502
-
-
1.4
119.049
5.alpha.-Pregnan-3.alpha.,17-diol-20-one 3-sulfate
-
ME592586
-
-
1.4
413.2004
6,7-Dihydroxycoumarin
-
ME592535
-
-
1.4
177.0184
Caulophyllogenin
-
ME592493
-
-
1.4
487.3427
Dihydro-4,4-dimethyl-2,3-furandione
2-Dehydropantolactone
ME592525
-
-
1.4
127.0389
Engeletin
-
ME592692
-
-
1.4
287.0559
His-Thr
His-Thr
ME592706
-
-
1.4
255.1058
Homovanillic acid
Homovanillic acid
ME592635
-
-
1.4
181.0497
Kaempferol
Kaempferol
ME592543
-
-
1.4
285.0403
Methylgallate
-
ME592495
-
-
1.4
183.0291
Phloretin
Phloretin
ME592687
-
-
1.4
273.0768
Phloroglucinocarboxaldehyde
-
ME592631
-
-
1.4
153.0182
Salicylic acid
Salicylic acid
ME592723
-
-
1.4
137.0232
Sinapic acid
Sinapic acid
ME592617
-
-
1.4
223.0641
Vitamin C
Vitamin C
ME592685
-
-
1.4
175.0238
2-Hydroxy-4-methylpentanoic acid
Leucinic acid
ME592581
-
-
1.7
131.0701
3-Oxopentanoic acid
3-Ketovaleric acid
ME592499
-
-
1.7
115.0388
Propionic acid
Propionic acid
ME592709
-
-
1.7
73.0281
3-Hydroxybutyric acid
3-Hydroxybutyric acid
ME592700
-
-
1.8
103.0387
3-Isochromanone
3-Isochromanone
ME592536
-
-
1.8
147.0459
3-Hydroxyvaleric acid
3-Hydroxyvaleric acid
ME592639
-
-
2
117.0544
Dihydrodaidzein
Dihydrodaidzein
ME592549
-
-
2
149.0233
2'-O-Methyluridine
2'-O-Methyluridine
ME592669
-
-
2.1
257.0779
2-Furanpropanoic acid, 3-carboxy-4-methyl-5-propyl...
-
ME592703
-
-
2.2
239.0921
2-Methylglutaric acid
2-Methylglutaric acid
ME592524
-
-
2.2
145.0495
3-Methylglutaric acid
Methylglutaric acid
ME592716
-
-
2.2
145.0495
(+)-Catechin
Catechin
ME592618
-
-
2.3
289.0717
Gentisinic acid
Gentisic acid
ME592708
-
-
2.4
153.0182
3-Methyl-2-oxovaleric acid
3-Methyl-2-oxovaleric acid
ME592557
-
-
2.5
129.0545
4-Pyridoxic acid
4-Pyridoxic acid
ME592528
-
-
2.5
182.045
1_D2-Ornithine iSTD
-
ME592770
-
-
259693
ESI (-)
Glutaric acid
Glutaric acid
ME592546
-
-
2.7
131.0338
Isocitric acid
Isocitric acid
ME592605
-
-
2.7
111.0058
N-Acetyltryptophan
N-Acetyl-tryptophan
ME592492
-
-
2.7
245.0928
trans-3,5-Dimethoxy-4-hydroxycinnamaldehyde
Sinapoyl aldehyde
ME592655
-
-
2.7
207.0656
Epicatechin
Epicatechin
ME592619
-
-
2.8
289.0716
2-Deoxyuridine
Deoxyuridine
ME592592
-
-
2.9
227.0669
Hippuric acid
Hippuric acid
ME592632
-
-
3
178.05
Tiliroside
-
ME592491
-
-
3
593.1303
Ketoisovaleric acid
Ketoisovaleric acid
ME592630
-
-
3.1
115.0388
N-Acetylmethionine
N-Acetylmethionine
ME592721
-
-
3.1
190.0535
Pantothenic acid
Pantothenic acid
ME592510
-
-
3.3
218.1028
Phlorizin
Phlorizin
ME592539
-
-
3.7
435.1295
4-Hydroxyphenyllactic acid
4-Hydroxyphenyllactic acid
ME592556
-
-
3.9
181.0497
Succinic acid
Succinic acid
ME592560
-
-
3.9
117.0179
1,5-Anhydro-D-sorbitol
1,5-Anhydrosorbitol
ME592585
-
-
4.1
163.0602
1,7-Dimethyluric acid
1,7-Dimethyluric acid
ME592596
-
-
4.1
195.0515
Dehydroascorbic acid;
L-Dehydroascorbic acid
ME592658
-
-
4.3
112.9867_173.0081
Dehydro-L-(+)-ascorbic acid dimer
-
ME592591
-
-
4.3
142.9974_173.0082_347.0254
Mesaconic acid
Mesaconic acid
ME592522
-
-
4.3
129.0181
Ribose A
-
ME592665
-
-
4.3
149.0444
Geniposide
Geniposide
ME592530
-
-
4.4
387.1297
Salidroside
4-Hydroxyphenyl-2-ethylglucopyranoside
ME592537
-
-
4.4
345.1188
4-Hydroxy-3-methoxymandelic acid
-
ME592677
-
-
4.5
197.042
Cyanidin-3-glucoside
-
ME592646
-
-
4.5
447.0931
Adenosine
Adenosine
ME592610
-
-
4.8
266.0894_302.0661
Hypoxanthine
Hypoxanthine
ME592496
-
-
4.8
135.0258
N-Acetyl-L-alanine
N-Acetylalanine
ME592571
-
-
4.8
130.0497
Pyrrole-2-carboxylic acid
Pyrrole-2-carboxylic acid
ME592705
-
-
4.8
110.0234
Uridine;
Uridine
ME592488
-
-
4.8
243.0618_279.0387
L-Gulono-1,4-lactone
-
ME592670
-
-
4.9
195.0502_177.0395_213.0165
L-Fucitol
Fucitol
ME592660
-
-
5.2
165.0758_201.0528
Methyl-beta-galactopyranoside
-
ME592523
-
-
5.2
193.0681
Pyruvic acid
Pyruvic acid
ME592574
-
-
5.2
87.0074
N2,N2-Dimethylguanosine
N2,N2-Dimethylguanosine
ME592651
-
-
5.5
310.1155
6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucop...
-
ME592662
-
-
5.6
461.1665
Allantoin
Allantoin
ME592622
-
-
5.6
157.0356_193.0126
Hyperoside
-
ME592614
-
-
5.6
463.0883
2-Hydroxycinnamic acid
trans-o-Coumaric acid
ME592621
-
-
5.7
163.039
2'-O-Methylguanosine
2'-O-Methylguanosine
ME592615
-
-
5.7
296.0998
.beta.-Gentiobiose
beta-Gentiobiose
ME592750
-
-
5.7
221.0662_257.0432
Psicose
Psicose
ME592579
-
-
5.7
179.0552_215.0322
4-Hydroxyhippuric acid
4-Hydroxyhippuric acid
ME592734
-
-
5.8
194.0451
Leu-Ile
Leu-Ile
ME592564
-
-
6
243.1711
Procyanidin B2
Procyanidin B2
ME592714
-
-
6
577.1352
Cyanidin-3-O-(2''-O-beta-xylopyranosyl-beta-glucop...
-
ME592737
-
-
6.1
579.1357
Kaempferol-3-O-rutinoside
Kaempferol-3-O-rutinoside
ME592653
-
-
6.1
593.1517
Kynurenic acid
Kynurenic acid
ME592515
-
-
6.1
188.0345
Taurocholic acid
Taurocholic acid
ME592696
-
-
6.1
514.2842
Xylose
Xylose
ME592628
-
-
6.1
149.0444
5-Hydroxymethyluridine
5-Hydroxymethyluridine
ME592690
-
-
6.2
273.0747
Inosine
Inosine
ME592675
-
-
6.2
267.0735
Guanine
Guanine
ME592682
-
-
6.4
150.041
6-[5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-o...
-
ME592695
-
-
6.7
491.0831
Val-Leu
Val-Leu
ME592712
-
-
6.7
229.1553
1_D8-Phenylalanine iSTD
-
ME592756
-
-
6.8
172.1209
1_D8-Tryptophan iSTD
-
ME592754
-
-
6.8
211.1322
1_Val-Tyr-Val iSTD
Val-Tyr-Val
ME592755
-
-
6.8
378.2031
Cytidine
Cytidine
ME592676
-
-
6.8
242.0779
Phenylalanine
Phenylalanine
ME592707
-
-
6.8
164.0706
Tryptophan
Tryptophan
ME592633
-
-
6.8
203.0819
1_D10-Leucine iSTD
-
ME592757
-
-
6.9
140.1489
Arabitol
Arabitol
ME592517
-
-
6.9
151.0601
N-Methylvaline
N-Methyl-valine
ME592501
-
-
6.9
130.0861
Pseudouridine
Pseudouridine
ME592624
-
-
6.9
243.0619
Chlorogenic acid
Chlorogenic acid
ME592740
-
-
7
353.0879
1_D10-Isoleucine iSTD
-
ME592758
-
-
7.1
140.1489
Guanosine
Guanosine
ME592603
-
-
7.1
282.0843
Isoleucine
Isoleucine
ME592743
-
-
7.1
130.0862
N-Acetyl-D-glucosamine
N-Acetyl-D-glucosamine
ME592613
-
-
7.1
256.0591_266.0881
Methionine
Methionine
ME592498
-
-
7.3
148.0426
Orotic acid
Orotic acid
ME592626
-
-
7.3
111.0187_155.0087
D-Xylulose
L-Ribulose
ME592727
-
-
7.4
71.0125_131.0338
L-Sorbose
Sorbose
ME592578
-
-
7.4
179.0551_215.0321
D-Lyxose
Lyxose
ME592627
-
-
7.5
89.0230_149.0444
Glucose
Glucose
ME592704
-
-
7.5
119.0337_179.0551
Ala-Leu
Ala-Leu
ME592638
-
-
7.6
201.1237
D-Psicose
Psicose
ME592580
-
-
7.6
101.0231_161.0445_215.0321
N-Acetylglutamic acid
N-Acetylglutamic acid
ME592641
-
-
7.6
188.0555
3-Hydroxyglutaric acid
3-Hydroxyglutaric acid
ME592738
-
-
7.7
147.0287
Aconitic acid
cis-Aconitic acid
ME592511
-
-
7.7
173.0082
D-Pyroglutamic acid
-
ME592606
-
-
7.7
128.0341
D-Turanose
-
ME592654
-
-
7.7
83.0125_143.0338
D-Xylose
Xylose
ME592664
-
-
7.7
71.0125_131.0337
Glyceraldehyde
Glyceraldehyde
ME592584
-
-
7.7
89.0231
Gly-Ile
Gly-Ile
ME592562
-
-
7.7
187.1097
N-Acetylserine
N-Acetylserine
ME592550
-
-
7.7
146.0446
Sorbitol
Sorbitol
ME592494
-
-
7.7
181.0707
Tagatose
D-Tagatose
ME592604
-
-
7.7
119.0337_179.0551
Taurine
Taurine
ME592719
-
-
7.7
124.0061
Thr-Val
Thr-Val
ME592689
-
-
7.7
217.1187
Valine
Valine
ME592573
-
-
7.7
116.0704
.alpha.-L-Glu-L-Asp
Glu-Asp
ME592506
-
-
7.9
261.0727
DL-Isocitric acid lactone
-
ME592679
-
-
7.9
173.0082
1,6-Anhydro-.beta.-D-glucose
Glucosan
ME592672
-
-
8
101.0231_161.0445
1_D3-DL-Alanine iSTD
-
ME592759
-
-
8
91.0579
Acetic acid, 2,2'-[oxybis(2,1-ethanediyloxy)]bis-
-
ME592520
-
-
8
119.0337
Alanine
Alanine
ME592634
-
-
8
88.0391
gamma-Glutamylleucine
gamma-Glutamylleucine
ME592593
-
-
8
259.1297
N-Acetylhistidine
N-Acetylhistidine
ME592558
-
-
8
196.072
N-epsilon-Acetyllysine
N6-Acetyllysine
ME592490
-
-
8
187.108
N-Methylserine
-
ME592623
-
-
8
118.0497
Ser-Val
Ser-Val
ME592538
-
-
8
203.1031
S-Sulfocysteine
Cysteine-S-sulfate
ME592597
-
-
8
199.9686
trans-4-Hydroxy-L-proline
trans-4-Hydroxyproline
ME592620
-
-
8
130.0497
Glu-Phe
Glu-Phe
ME592718
-
-
8.1
293.1141
Gly-Tyr
Gly-Tyr
ME592710
-
-
8.1
237.0877
L-Homocitrulline
Homocitrulline
ME592715
-
-
8.2
171.0765
N-.alpha.-Acetyl-L-ornithine
N-Acetylornithine
ME592553
-
-
8.2
173.0922
Sulfoacetic acid
Sulfoacetic acid
ME592729
-
-
8.2
138.9695
Threonine
Threonine
ME592547
-
-
8.2
118.0497
1_D5-Threonine iSTD
-
ME592760
-
-
8.3
123.0811
Ala-Ala
Ala-Ala
ME592745
-
-
8.3
159.0764
.gamma.-Glutamyl-(S)-allyl-L-cysteine
-
ME592503
-
-
8.3
289.0861_271.0757
Guanosine-3',5'-cyclic monophosphate
3',5' cyclic GMP
ME592736
-
-
8.3
344.0402
Homoserine
Homoserine
ME592678
-
-
8.3
118.0497
2-Ketogluconic acid
-
ME592684
-
-
8.4
193.0345
6.alpha.-Mannobiose
-
ME592561
-
-
8.4
455.1016
gamma-Glutamylmethionine
gamma-Glutamylmethionine
ME592649
-
-
8.4
277.0861
N-Methylglutamic acid
N-Methyl-glutamic acid
ME592717
-
-
8.4
160.0605
Sucrose
Sucrose
ME592742
-
-
8.4
341.1085_377.0854
Val-Glu
Val-Glu
ME592680
-
-
8.4
245.1138
1_D5-L-Glutamine iSTD
-
ME592761
-
-
8.5
150.092
Glutamine
Glutamine
ME592730
-
-
8.5
145.0606
Methionine sulfoxide
Methionine sulfoxide
ME592629
-
-
8.5
164.0377
Palatinose
Palatinose
ME592625
-
-
8.5
341.1086_377.0855
1_D3-Serine iSTD
-
ME592762
-
-
8.6
107.0528
Allantoic acid
Allantoic acid
ME592601
-
-
8.6
132.0403
Cellobiose A
-
ME592513
-
-
8.6
341.1088
gamma-Glutamyltyrosine;
gamma-Glutamyltyrosine
ME592693
-
-
8.6
309.1091
Serine
Serine
ME592587
-
-
8.6
104.034
1_D3-DL-Glutamic acid iSTD
-
ME592763
-
-
8.7
149.0636
Ascorbic acid
Vitamin C
ME592686
-
-
8.7
175.0238
Asparagine
Asparagine
ME592744
-
-
8.7
131.045
Glutamic acid
Glutamic acid
ME592701
-
-
8.7
146.0446
Maltose
Maltose
ME592514
-
-
8.7
341.1088
N-Acetyl-L-glutamine
N-Acetylglutamine
ME592570
-
-
8.7
127.0501_145.0608
N-Methylalanine
N-Methylalanine
ME592509
-
-
8.7
102.0547
Pyroglutamic acid
Pyroglutamic acid
ME592607
-
-
8.7
128.0341
2-alpha-Mannobiose
-
ME592518
-
-
8.8
341.1089
2-Isopropylmalic acid
2-Isopropylmalic acid
ME592595
-
-
8.8
175.0602
Citrulline
Citrulline
ME592644
-
-
8.8
174.0874
myo-Inositol
Myo-inositol
ME592647
-
-
8.8
179.0551_215.0321_225.061
1_D5-Glutamic acid iSTD
-
ME592764
-
-
8.9
151.0762
.alpha.-Guanidinoglutaric acid
alpha-Guanidinoglutaric acid
ME592645
-
-
8.9
146.0448
Lactitol
Lactitol
ME592691
-
-
8.9
343.1244
Lactose B
-
ME592512
-
-
8.9
341.1087
N,N-Dimethylarginine
Dimethylarginine
ME592722
-
-
8.9
201.1349
rac-Glycerol 3-phosphate
-
ME592544
-
-
8.9
171.0054
3-Deoxy-D-glycero-D-galacto-2-nonulosonic acid
3-Deoxy-D-glycero-D-galacto-2-nonulosonic acid
ME592699
-
-
9
267.0721
Adenosine 5'-monophosphate
AMP
ME592673
-
-
9
346.0556
Glutathione (reduced)
Glutathione
ME592657
-
-
9
306.0763
Glu-Thr
Glu-Thr
ME592554
-
-
9.1
247.0932
Isomaltose B
-
ME592751
-
-
9.1
341.1088
Uridine 5'-monophosphate
UMP
ME592747
-
-
9.1
323.0284
Aspartic acid
Aspartic acid
ME592694
-
-
9.2
132.029
D-(+)-Raffinose
Raffinose
ME592589
-
-
9.2
503.1616_539.1384_549.1671
D-(+)-Ribonic acid .gamma.-lactone
-
ME592725
-
-
9.2
105.0180_165.0395_165.0394
Glucuronic acid B
-
ME592609
-
-
9.2
193.0345
Isomaltose
Isomaltose
ME592752
-
-
9.2
387.1143
L-NG-Monomethylarginine
-
ME592600
-
-
9.2
187.1192
Melibiose B
-
ME592749
-
-
9.2
341.1086
1_D3-DL-Aspartic acid iSTD
-
ME592765
-
-
9.3
135.0478
Citric acid
Citric acid
ME592567
-
-
9.3
191.0188
D-(+)-Trehalose
Trehalose
ME592516
-
-
9.3
341.1087_377.0855_387.1143
Ellagic acid
Ellagic acid
ME592688
-
-
9.3
300.9962
Melezitose
Melezitose
ME592637
-
-
9.3
549.1671_503.1617_539.1383
N-Acetylneuraminic acid
N-Acetylneuraminic acid
ME592663
-
-
9.3
308.0987
O-Phosphocolamine
Phosphoethanolamine
ME592666
-
-
9.3
140.0106
Ribose-5-phosphate
Ribose 5-phosphate
ME592572
-
-
9.3
229.0115
1_D5-Histidine iSTD
-
ME592766
-
-
9.4
159.0924
1-Kestose
1-Kestose
ME592683
-
-
9.4
549.1675
3-Methylhistidine
3-Methylhistidine
ME592545
-
-
9.4
168.0768
Histidine
Histidine
ME592521
-
-
9.4
154.0611
Malic acid
Malic acid
ME592598
-
-
9.4
133.0130_193.0345
1_15N2-L-Arginine iSTD
-
ME592767
-
-
9.5
175.0975
1_D7-Arginine iSTD
-
ME592768
-
-
9.5
180.1474
1_D8-Lysine iSTD
-
ME592769
-
-
9.5
153.1473
Arginine
Arginine
ME592608
-
-
9.5
173.1033
Citramalic acid
Citramalic acid
ME592713
-
-
9.5
147.0287
Cytidine-5'-monophosphate
CMP
ME592532
-
-
9.5
322.0443
Fructose-1-phosphate
Fructose 1-phosphate
ME592733
-
-
9.5
259.0222
Gentianose
-
ME592588
-
-
9.5
549.1674
Lysine
Lysine
ME592559
-
-
9.5
145.0971
Raffinose
Raffinose
ME592590
-
-
9.5
503.1617
D-Ribose 1-phosphate
Ribose 1-phosphate
ME592726
-
-
9.6
229.0114
Glucose-1-phosphate
Glucose 1-phosphate
ME592529
-
-
9.6
241.0115_259.0222
Glu-Gln
Glu-Gln
ME592583
-
-
9.6
274.1045
Guanosine-5'-monophosphate
GMP
ME592648
-
-
9.6
362.0506
Maltotriose
Maltotriose
ME592505
-
-
9.6
549.1674_503.1619
Ornithine
Ornithine
ME592746
-
-
9.6
131.0813
Quinic acid
Quinic acid
ME592487
-
-
9.6
191.0529
Glu-Asn
Glu-Asn
ME592671
-
-
9.7
260.0888
Laminaritetraose
-
ME592611
-
-
9.7
665.2150_701.1918
Glucose-6-phosphate
Glucose 6-phosphate
ME592594
-
-
9.8
259.0222
Caftaric acid
-
ME592667
-
-
9.9
149.0079
Cystine
Cystine
ME592575
-
-
9.9
239.0162
Manninotriose
-
ME592508
-
-
9.9
503.1617
Uridine-5-diphosphoacetylglucosamine
UDP-N-acetylglucosamine
ME592576
-
-
9.9
606.0739
Analysis: Reversed phase POSITIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
acylcarnitine 10:0;
CAR 10:0
ME592786
-
-
0.6
316.2482
acylcarnitine 10:1;
CAR 10:1
ME592787
-
-
0.6
314.2325
acylcarnitine 12:1;
CAR 12:1
ME592788
-
-
0.6
342.2639
1_CUDA iSTD
-
ME592774
-
-
0.7
341.2798
acylcarnitine 14:1;
CAR 14:1
ME592789
-
-
0.7
370.2953
acylcarnitine 14:2;
CAR 14:2
ME592790
-
-
0.7
368.2793
LPC 14:0-SN1;
LPC 14:0
ME592876
-
-
0.8
468.3087
LPC 18:3-SN1;
-
ME592885
-
-
0.8
529.31495
LPE 18:3;
LPE 18:3
ME592894
-
-
0.8
476.2771
LPC 20:5;
LPC 20:5
ME592891
-
-
0.9
542.3242
LPC 14:0;
LPC 14:0
ME592875
-
-
1
468.3087
LPC 18:3;
LPC 18:3
ME592884
-
-
1
518.3242
TAG 48:2;
TG 48:2
ME593057
-
-
10
829.3676333
TAG 50:3; A
TG 50:3
ME593067
-
-
10
849.23275
TAG 54:6; C
TG 54:6
ME593109
-
-
10
905.399
TAG 55:6; TAG 19:1-18:2-18:3;
TG 18:2_18:3_19:1
ME593118
-
-
10
910.7864
TAG 56:7; A
TG 56:7
ME593133
-
-
10
925.26375
cholesteryl ester 20:4;
-
ME592816
-
-
10.1
693.096
TAG 50:3; B
TG 50:3
ME593068
-
-
10.1
855.3832
TAG 52:4;
TG 52:4
ME593081
-
-
10.1
881.3986333
TAG 54:5; A
TG 54:5
ME593104
-
-
10.1
907.4140333
TAG 56:5; TAG 18:1-18:2-20:2;
TG 18:1_18:2_20:2
ME593130
-
-
10.1
926.8163
TAG 49:2;
TG 49:2
ME593062
-
-
10.2
837.2326
TAG 51:3;
TG 51:3
ME593073
-
-
10.2
869.3989
TAG 54:5; TAG 18:0-18:2-18:3;
TG 18:0_18:2_18:3
ME593106
-
-
10.2
901.26375
TAG 56:6; TAG 20:1-18:2-18:3;
TG 18:2_18:3_20:1
ME593132
-
-
10.2
927.27895
TAG 53:4;
TG 53:4
ME593093
-
-
10.3
895.4143667
TAG 54:5; B
TG 54:5
ME593105
-
-
10.3
898.7858
TAG 55:5; TAG 19:1-18:2-18:2;
TG 18:2_18:2_19:1
ME593117
-
-
10.3
912.8022
TAG 56:6;
TG 56:6
ME593131
-
-
10.3
933.4302667
cholesteryl ester 18:2;
-
ME592813
-
-
10.4
666.6187
cholesteryl ester 20:3;
-
ME592815
-
-
10.4
695.11165
TAG 48:1;
TG 48:1
ME593056
-
-
10.4
831.3833667
TAG 50:2;
TG 50:2
ME593066
-
-
10.4
857.3987667
TAG 52:3;
TG 52:3
ME593080
-
-
10.5
883.4143667
TAG 54:4;
TG 54:4
ME593103
-
-
10.5
909.4299
TAG 56:4; TAG 18:1-20:1-18:2;
TG 18:1_18:2_20:1
ME593125
-
-
10.5
928.8319
TAG 56:5; A
TG 56:5
ME593128
-
-
10.5
935.4461667
TAG 49:1;
TG 49:1
ME593061
-
-
10.6
845.3992
TAG 51:2;
TG 51:2
ME593072
-
-
10.6
871.4148667
TAG 56:5; B
TG 56:5
ME593129
-
-
10.6
935.4456333
cholesteryl ester 20:2;
-
ME592814
-
-
10.7
697.1272
TAG 53:3;
TG 53:3
ME593092
-
-
10.7
897.4304667
TAG 58:6;
TG 58:6
ME593144
-
-
10.7
963.297
TAG 58:6; TAG 22:0-18:3-18:3;
TG 18:3_18:3_22:0
ME593145
-
-
10.7
955.311
cholesteryl ester 18:1;
-
ME592812
-
-
10.8
668.6341
TAG 50:1;
TG 50:1
ME593065
-
-
10.8
859.415
TAG 52:2;
TG 52:2
ME593079
-
-
10.8
885.4299667
TAG 54:3;
TG 54:3
ME593102
-
-
10.8
911.4454667
TAG 56:3
TG 56:3
ME593122
-
-
10.8
930.8473
TAG 57:5; TAG 21:0-18:2-18:3;
TG 18:2_18:3_21:0
ME593138
-
-
10.8
940.8323
TAG 56:4;
TG 56:4
ME593124
-
-
10.9
939.29795
TAG 56:4; TAG 20:0-18:1-18:3;
TG 18:1_18:3_20:0
ME593126
-
-
10.9
933.7879
TAG 56:4; TAG 20:0-18:2-18:2;
TG 18:2_18:2_20:0
ME593127
-
-
10.9
928.8331
TAG 59:6; TAG 23:0-18:3-18:3;
TG 18:3_18:3_23:0
ME593150
-
-
10.9
966.8488
1_TG d5 17:0/17:1/17:0; iSTD
-
ME592785
-
-
11
878.4613333
TAG 53:2;
TG 53:2
ME593091
-
-
11
899.4464333
TAG 58:5; TAG 22:0-18:2-18:3;
TG 18:2_18:3_22:0
ME593143
-
-
11
957.3267
1_Sphingosine d17:1; iSTD
-
ME592783
-
-
1.1
286.2741
LPC 16:1;
LPC 16:1
ME592879
-
-
1.1
494.3241
TAG 55:3;
TG 55:3
ME593116
-
-
11.1
916.8324
TAG 57:4; TAG 21:0-18:2-18:2;
TG 18:2_18:2_21:0
ME593137
-
-
11.1
945.3268
TAG 60:6;
TG 60:6
ME593156
-
-
11.1
989.4932333
TAG 52:1;
TG 52:1
ME593078
-
-
11.2
887.4455333
TAG 54:2;
TG 54:2
ME593101
-
-
11.2
913.4615
TAG 56:3;
TG 56:3
ME593123
-
-
11.2
939.4771
TAG 59:5; TAG 23:0-18:2-18:3;
TG 18:2_18:3_23:0
ME593149
-
-
11.2
968.8653
TAG 58:4;
TG 58:4
ME593142
-
-
11.3
965.4929333
TAG 60:5;
TG 60:5
ME593154
-
-
11.3
982.8789
TAG 53:1;
TG 53:1
ME593090
-
-
11.4
892.8316
TAG 55:2;
TG 55:2
ME593115
-
-
11.4
918.8485
TAG 60:5; TAG 24:0-18:2-18:3;
TG 18:2_18:3_24:0
ME593155
-
-
11.4
985.3581
TAG 52:0;
TG 52:0
ME593077
-
-
11.5
891.2973
TAG 59:4; TAG 23:0-18:2-18:2;
TG 18:2_18:2_23:0
ME593148
-
-
11.5
973.35835
TAG 54:1;
TG 54:1
ME593100
-
-
11.6
915.4763333
TAG 56:2;
TG 56:2
ME593121
-
-
11.6
941.4928667
TAG 58:3;
TG 58:3
ME593141
-
-
11.6
967.5083667
1_CE 22:1; iSTD
-
ME592771
-
-
11.7
843.4543333
TAG 53:0;
TG 53:0
ME593089
-
-
11.7
894.8484
TAG 55:1;
TG 55:1
ME593114
-
-
11.7
920.8644
TAG 60:4; TAG 24:0-18:1-18:3;
TG 18:1_18:3_24:0
ME593153
-
-
11.7
987.3737
TAG 57:2;
TG 57:2
ME593136
-
-
11.8
946.8804
TAG 59:3;
TG 59:3
ME593147
-
-
11.8
975.3739
TAG 61:4; TAG 25:0-18:2-18:2;
TG 18:2_18:2_25:0
ME593158
-
-
11.8
998.9112
TAG 54:0; TAG 18:0-18:0-18:0;
TG 18:0/18:0/18:0
ME593099
-
-
11.9
911.34265
TAG 56:0;
TG 56:0
ME593119
-
-
11.9
936.8928
TAG 56:1; TAG 16:0-22:0-18:1;
TG 16:0_18:1_22:0
ME593120
-
-
11.9
934.8801
TAG 58:2; TAG 16:0-24:0-18:2;
TG 16:0_18:2_24:0
ME593140
-
-
11.9
963.3739
TAG 60:3; TAG 24:0-18:1-18:2;
TG 18:1_18:2_24:0
ME593152
-
-
11.9
989.3893
TAG 62:3;
TG 62:3
ME593159
-
-
11.9
1014.9367
TAG 58:1; TAG 16:0-24:0-18:1;
TG 16:0_18:1_24:0
ME593139
-
-
12
962.911
TAG 59:2; TAG 23:0-18:1-18:1;
TG 18:1_18:1_23:0
ME593146
-
-
12
974.9114
TAG 60:2; TAG 20:0-22:0-18:2;
TG 18:2_20:0_22:0
ME593151
-
-
12
988.9272
TAG 61:3; TAG 25:0-18:1-18:2;
TG 18:1_18:2_25:0
ME593157
-
-
12
1000.9269
LPC 15:0;
LPC 15:0
ME592877
-
-
1.2
482.324
LPC 18:2;
LPC 18:2
ME592883
-
-
1.2
531.3307
LPC 20:4;
LPC 20:4
ME592890
-
-
1.2
544.3399
LPE 18:2;
LPE 18:2
ME592893
-
-
1.2
478.2927
1_LPE 17:1; iSTD
-
ME592778
-
-
1.3
466.2928
LPC 17:1;
LPC 17:1
ME592880
-
-
1.3
508.3402
LPC 16:0;
LPC 16:0
ME592878
-
-
1.4
507.3308
LPC 20:3;
LPC 20:3
ME592889
-
-
1.4
546.3557
LPE 16:0;
LPE 16:0
ME592892
-
-
1.5
454.2927
LPC 18:1;
LPC 18:1
ME592882
-
-
1.6
533.3465
1_LPC 17:0; iSTD
-
ME592777
-
-
1.8
510.3554
LPC 20:2;
LPC 20:2
ME592888
-
-
1.8
548.3713
LPC 18:0;
LPC 18:0
ME592881
-
-
2.2
535.3621
PC 16:0/9:0 CHO;
-
ME592908
-
-
2.3
650.4404
LPC 20:1;
LPC 20:1
ME592887
-
-
2.4
550.3864
1_MG 17:0/0:0/0:0; iSTD
-
ME592779
-
-
3
358.3025667
LPC 20:0;
LPC 20:0
ME592886
-
-
3.1
552.4023
PE 40:9;
PE 40:9
ME592997
-
-
3.1
786.492
1_DG 18:1/2:0/0:0; iSTD
-
ME592776
-
-
3.2
424.965
PE 38:7;
PE 38:7
ME592994
-
-
3.3
762.4916
LDGCC 22:3;
LDGCC 22:3*
ME592874
-
-
3.5
568.4272
SQDG 36:6; SQDG 18:3-18:3;
SQDG 36:6
ME593042
-
-
3.5
856.5244
1_PC 12:0/13:0; iSTD
-
ME592780
-
-
3.6
636.4602
LPE 22:0;
LPE 22:0
ME592895
-
-
3.6
538.3868
PI 36:5;
PI 36:5
ME593021
-
-
3.7
874.5439
SQDG 36:5; SQDG 18:2-18:3;
-
ME593041
-
-
3.7
861.01765
DGDG 35:6; DGDG 17:2-18:4;
DGDG 17:2_18:4
ME592824
-
-
3.8
943.0773
DGDG 34:5; DGDG 16:2-18:3;
-
ME592822
-
-
3.9
928.5989
MGDG 34:6; MGDG 16:3-18:3;
-
ME592900
-
-
3.9
764.5307
PG 36:5; PG 18:2-18:3;
PG 18:2_18:3
ME593013
-
-
3.9
786.5283
SQDG 34:3; SQDG 16:0-18:3;
SQDG 34:3
ME593038
-
-
3.9
837.0166
DGDG 36:6; DGDG 18:2-18:4;
DGDG 18:2_18:4
ME592830
-
-
4
954.6159
PC 30:2;
PC 30:2
ME592910
-
-
4
702.5067
PC 36:6; PC 18:3-18:3;
PC 18:3/18:3
ME592945
-
-
4
789.529
PG 34:4; PG 16:1-18:3;
PG 16:1_18:3
ME593012
-
-
4
751.9987
PI 32:0;
PI 32:0
ME593014
-
-
4
842.0308
PI 34:3;
PI 34:3
ME593017
-
-
4
855.4996
PI 36:4;
PI 36:4
ME593020
-
-
4
868.04685
SQDG 36:4; SQDG 18:1-18:3;
-
ME593040
-
-
4
860.5561
TAG 24:0;
TG 24:0
ME593043
-
-
4
488.3945
PC 32:3;
PC 32:3
ME592915
-
-
4.1
728.5228
PC 33:4;
PC 33:4
ME592920
-
-
4.1
740.5226
PC 35:5;
PC 35:5
ME592933
-
-
4.1
766.5389
PE 36:6; PE 18:3-18:3;
PE 18:3/18:3
ME592990
-
-
4.1
747.481
PG 34:3; PG 16:0-18:3;
PG 16:0_18:3
ME593011
-
-
4.1
762.528
DGDG 34:4; DGDG 16:1-18:3;
DGDG 16:1_18:3
ME592821
-
-
4.2
930.6154
MGDG 34:5; MGDG 16:2-18:3;
-
ME592899
-
-
4.2
769.02435
PC 34:4; PC 16:1-18:3;
PC 16:1_18:3
ME592928
-
-
4.2
754.5419
PE 32:3; PE 14:0-18:3;
PE 14:0_18:3
ME592975
-
-
4.2
686.4755
1_DG 12:0/12:0/0:0; iSTD
-
ME592775
-
-
4.3
476.629775
DGDG 36:5; DGDG 18:2-18:3;
DGDG 18:2_18:3
ME592829
-
-
4.3
956.6306
HexCer-AP t34:1; HexCer-AP t18:1/16:0;
HexCer 18:1;O3/16:0*
ME592863
-
-
4.3
732.5619
PC 36:5; A
PC 36:5
ME592942
-
-
4.3
780.5541
PI 34:2;
PI 34:2
ME593016
-
-
4.3
848.5359
TAG 34:3e; TAG 18:3e-8:0-8:0;
TG O-18:3_8:0_8:0*
ME593047
-
-
4.3
613.4824
DGDG 38:6; DGDG 18:3-20:3;
DGDG 18:3_20:3
ME592831
-
-
4.4
985.12465
PC 33:3;
PC 33:3
ME592919
-
-
4.4
742.5379
PC 34:4;
PC 34:4
ME592927
-
-
4.4
754.5426
PC 38:6;
PC 38:6
ME592958
-
-
4.4
806.5692
PE 36:5;
PE 36:5
ME592988
-
-
4.4
760.4849
PE 36:5; PE 18:2-18:3;
PE 18:2_18:3
ME592989
-
-
4.4
738.507
PI 36:3;
PI 36:3
ME593019
-
-
4.4
878.5762
PS 34:2;
PS 34:2
ME593022
-
-
4.4
760.5131
SQDG 36:3; SQDG 18:0-18:3;
SQDG 36:3
ME593039
-
-
4.4
862.5712
Ceramide-NS d34:3; Ceramide-NS d18:2/16:1;
-
ME592811
-
-
4.5
534.4881
PC 32:2;
PC 32:2
ME592914
-
-
4.5
730.538
PC 35:4;
PC 35:4
ME592932
-
-
4.5
768.554
PC 36:5; C
PC 36:5
ME592943
-
-
4.5
780.5532
PE 33:3; PE 15:0-18:3;
PE 15:0_18:3
ME592977
-
-
4.5
700.4913
PG 34:2; PG 16:0-18:2;
PG 16:0_18:2
ME593009
-
-
4.5
756.03045
TAG 26:0; TAG 8:0-8:0-10:0;
TG 8:0_8:0_10:0
ME593044
-
-
4.5
518.90345
DGDG 34:3; DGDG 16:0-18:3;
DGDG 16:0_18:3
ME592820
-
-
4.6
932.6311
MGDG 34:4; MGDG 16:1-18:3;
MGDG 16:1_18:3
ME592898
-
-
4.6
771.0398
PC 34:3; A
PC 34:3
ME592925
-
-
4.6
767.54475
PC 36:5; D
PC 36:5
ME592944
-
-
4.6
780.5541
PC 37:6;
PC 37:6
ME592949
-
-
4.6
792.5535
PC 38:6; A
PC 38:6
ME592959
-
-
4.6
806.5699
PE 32:2; PE 14:0-18:2;
PE 14:0_18:2
ME592974
-
-
4.6
688.4911
PG 32:1; PG 16:0-16:1;
PG 16:0_16:1
ME593005
-
-
4.6
738.5278
PS 36:3;
PS 36:3
ME593023
-
-
4.6
786.5288
Ceramide-AP t34:1; Ceramide-AP t18:1/16:0;
-
ME592799
-
-
4.7
570.5087
DGDG 36:4; DGDG 18:1-18:3;
DGDG 18:1_18:3
ME592828
-
-
4.7
958.6461
MGDG 36:5; MGDG 18:2-18:3;
MGDG 18:2_18:3
ME592905
-
-
4.7
794.5776
PC 34:3;
PC 34:3
ME592924
-
-
4.7
778.5362
PC 34:3; B
PC 34:3
ME592926
-
-
4.7
756.5536
PC 36:4; A
PC 36:4
ME592940
-
-
4.7
782.5692
PG 34:2; PG 16:1-18:1;
PG 16:1_18:1
ME593010
-
-
4.7
756.03
PI 34:1;
PI 34:1
ME593015
-
-
4.7
846.0616
1_Cholesterol d7 iSTD
-
ME592773
-
-
4.8
376.3957
DGDG 35:3; DGDG 17:0-18:3;
DGDG 17:0_18:3
ME592823
-
-
4.8
946.6466
Gal-Gal-Cer d18:1/16:0; or Lactosylceramide d18:1/...
-
ME592854
-
-
4.8
862.6245
HexCer-AP t36:1; HexCer-AP t18:1/18:0;
HexCer 18:1;O3/18:0*
ME592864
-
-
4.8
760.593
MGDG 38:6; MGDG 18:3-20:3;
MGDG 18:3_20:3
ME592907
-
-
4.8
823.0708
PC 33:2;
PC 33:2
ME592918
-
-
4.8
744.5533
PC 38:5; PC 20:2-18:3;
PC 18:3_20:2
ME592957
-
-
4.8
808.5853
PC 38:6; B
PC 38:6
ME592960
-
-
4.8
806.5698
PE 34:3; PE 16:0-18:3;
PE 16:0_18:3
ME592980
-
-
4.8
714.5065
PE 36:4; PE 18:2-18:2;
PE 18:2/18:2
ME592987
-
-
4.8
740.5221
PG 32:0; PG 16:0-16:0;
PG 16:0/16:0
ME593004
-
-
4.8
740.5466
PI 36:2;
PI 36:2
ME593018
-
-
4.8
872.0778
GlcADG 34:2; GlcADG 16:0-18:2;
-
ME592855
-
-
4.9
786.5725
PC 30:0;
PC 30:0
ME592909
-
-
4.9
706.5378
PC 37:5;
PC 37:5
ME592948
-
-
4.9
794.5692
PE 33:2; PE 15:0-18:2;
PE 15:0_18:2
ME592976
-
-
4.9
702.507
PE 38:5;
PE 38:5
ME592993
-
-
4.9
766.5369
PG 34:1; PG 16:0-18:1;
PG 16:0_18:1
ME593007
-
-
4.9
766.5593
SM d36:2;
SM 36:2;O2
ME593030
-
-
4.9
729.5905
DGDG 34:2; DGDG 16:0-18:2;
DGDG 16:0_18:2
ME592819
-
-
5
934.6461
diacylglycerol 36:6; diacylglycerol 18:3-18:3;
-
ME592849
-
-
5
630.5095
PC 32:1;
PC 32:1
ME592913
-
-
5
732.5537
PC 35:3;
PC 35:3
ME592931
-
-
5
770.5693
PC 36:4; C
PC 36:4
ME592941
-
-
5
782.5698
PC 38:5; A
PC 38:5
ME592955
-
-
5
808.5853
PE 36:4;
PE 36:4
ME592986
-
-
5
751.5127
1_SM d18:1/17:0; iSTD
-
ME592782
-
-
5.1
717.5904
DGDG 36:3; DGDG 18:1-18:2;
DGDG 18:1_18:2
ME592827
-
-
5.1
960.6619
MGDG 34:3; MGDG 16:0-18:3;
MGDG 16:0_18:3
ME592897
-
-
5.1
770.5772
MGDG 36:4; MGDG 18:1-18:3;
MGDG 18:1_18:3
ME592904
-
-
5.1
796.593
PC 36:3; A
PC 36:3
ME592937
-
-
5.1
784.5853
PC 38:6; C
PC 38:6
ME592961
-
-
5.1
806.5665
TAG 28:0;
TG 28:0
ME593045
-
-
5.1
544.4572
TAG 32:0e;
TG O-32:0*
ME593046
-
-
5.1
591.4979
DGDG 36:3; DGDG 18:0-18:3;
DGDG 18:0_18:3
ME592826
-
-
5.2
963.13955
MGDG 38:5; MGDG 20:2-18:3;
-
ME592906
-
-
5.2
822.6087
PC 31:0;
PC 31:0
ME592911
-
-
5.2
720.552
PC 33:1;
PC 33:1
ME592917
-
-
5.2
746.5694
PC 34:2
PC 34:2
ME592923
-
-
5.2
758.5693_788.5379
PC 36:3;
PC 36:3
ME592936
-
-
5.2
806.567
PC 36:3; B
PC 36:3
ME592938
-
-
5.2
784.5854
PC 38:5; B
PC 38:5
ME592956
-
-
5.2
808.5853
PC p-36:4/PC o-36:5;
PC P-36:4 or PC O-36:5
ME592973
-
-
5.2
766.5746
PE 34:2;
PE 34:2
ME592979
-
-
5.2
727.51315
PG 34:1; PG 18:0-16:1;
PG 16:1_18:0
ME593008
-
-
5.2
766.5593
PS 38:3;
PS 38:3
ME593025
-
-
5.2
814.5594
PC 36:3; PC 18:0-18:3;
PC 18:0_18:3
ME592939
-
-
5.3
784.585
PC 38:4; A
PC 38:4
ME592952
-
-
5.3
810.6009
PE 36:3;
PE 36:3
ME592984
-
-
5.3
753.529
DGDG 32:0; DGDG 16:0-16:0;
-
ME592818
-
-
5.4
913.1239
DGTS 34:2; DGTS 16:0-18:2;
-
ME592834
-
-
5.4
736.6083
diacylglycerol 36:5; diacylglycerol 18:2-18:3;
-
ME592848
-
-
5.4
624.0116
HexCer-AP t38:1; HexCer-AP t18:1/20:0;
HexCer 18:1;O3/20:0*
ME592865
-
-
5.4
788.6246
PC 35:2; B
PC 35:2
ME592930
-
-
5.4
772.5848
PC 38:4; B
PC 38:4
ME592953
-
-
5.4
810.601
PC 40:6; B
PC 40:6
ME592966
-
-
5.4
834.6011
PC p-34:2/PC o-34:3;
PC P-34:2 or PC O-34:3
ME592972
-
-
5.4
742.5745
PE 36:3; PE 18:0-18:3;
PE 18:0_18:3
ME592985
-
-
5.4
742.5385
PG 34:0; PG 17:0-17:0;
PG 17:0/17:0
ME593006
-
-
5.4
760.0618
MGDG 34:2; MGDG 16:0-18:2;
MGDG 16:0_18:2
ME592896
-
-
5.5
775.07085
PC 32:0;
PC 32:0
ME592912
-
-
5.5
734.5696
PE 35:2;
PE 35:2
ME592981
-
-
5.5
730.5385
SM d38:2;
SM 38:2;O2
ME593032
-
-
5.5
757.6218
Ceramide d34:1;
Cer 34:1;O2
ME592794
-
-
5.6
538.5195
DGDG 36:2; DGDG 18:0-18:2;
DGDG 18:0_18:2
ME592825
-
-
5.6
965.15585
MGDG 36:3; MGDG 18:1-18:2;
MGDG 18:1_18:2
ME592903
-
-
5.6
801.0862
PC 34:1
PC 34:1
ME592922
-
-
5.6
760.5854_782.567
PC 38:4; C
PC 38:4
ME592954
-
-
5.6
810.6009
PS 38:2;
PS 38:2
ME593024
-
-
5.6
816.5751
MGDG 36:3; MGDG 18:0-18:3;
MGDG 18:0_18:3
ME592902
-
-
5.7
801.08695
PC 33:0;
PC 33:0
ME592916
-
-
5.7
748.584
PC 36:2;
PC 36:2
ME592935
-
-
5.7
797.59205
PE 34:1; PE 16:0-18:1;
PE 16:0_18:1
ME592978
-
-
5.7
729.52905
diacylglycerol 34:3;
-
ME592839
-
-
5.8
617.1532333
PE 36:2;
PE 36:2
ME592983
-
-
5.8
755.54465
PS 40:3;
PS 40:3
ME593027
-
-
5.8
842.5914
1_Cer d18:1/17:0; iSTD
-
ME592772
-
-
5.9
553.8584
DGTS 34:1; DGTS 16:0-18:1;
-
ME592833
-
-
5.9
738.624
diacylglycerol 34:3; diacylglycerol 16:0-18:3;
-
ME592840
-
-
5.9
608.5248
diacylglycerol 36:4; A
-
ME592847
-
-
5.9
643.1688667
PC 35:1;
PC 35:1
ME592929
-
-
5.9
774.6004
PC 38:3;
PC 38:3
ME592951
-
-
5.9
812.6168
PC 37:2;
PC 37:2
ME592947
-
-
6
800.6149
PE 38:3; PE 20:0-18:3;
PE 18:3_20:0
ME592992
-
-
6
770.5698
HexCer-AP t42:2; HexCer-AP t18:1/24:1;
HexCer 18:1;O3/24:1*
ME592869
-
-
6.1
853.66295
MGDG 36:2; MGDG 18:1-18:1;
-
ME592901
-
-
6.1
800.6248
PC 40:4;
PC 40:4
ME592965
-
-
6.1
827.64715
SM d38:1;
SM 38:1;O2
ME593031
-
-
6.1
759.6379
HexCer-AP t40:1; HexCer-AP t18:1/22:0;
HexCer 18:1;O3/22:0*
ME592866
-
-
6.2
816.6564
PC 34:0;
PC 34:0
ME592921
-
-
6.2
762.6012
PC 36:1;
PC 36:1
ME592934
-
-
6.2
799.6076
PS 40:2;
PS 40:2
ME593026
-
-
6.2
844.6063
SM d40:2; B
SM 40:2;O2
ME593036
-
-
6.2
785.6536
1_PE 17:0/17:0; iSTD
-
ME592781
-
-
6.3
720.5536
PC 38:2;
PC 38:2
ME592950
-
-
6.3
814.6323
PE 36:1;
PE 36:1
ME592982
-
-
6.3
746.5689
diacylglycerol 34:2;
-
ME592838
-
-
6.4
619.1689
diacylglycerol 36:3;
-
ME592845
-
-
6.4
645.1844333
HexCer-AP t41:1; HexCer-AP t18:1/23:0;
HexCer 18:1;O3/23:0*
ME592867
-
-
6.4
841.66325
SM d39:1;
SM 39:1;O2
ME593033
-
-
6.4
773.653
diacylglycerol 36:3; diacylglycerol 18:0-18:3;
-
ME592846
-
-
6.5
636.5565
PC 37:1e;
PC O-37:1
ME592946
-
-
6.5
788.6409
PE 38:2; PE 20:0-18:2;
PE 18:2_20:0
ME592991
-
-
6.5
772.5851
Ceramide-AP t40:1; Ceramide-AP t18:1/22:0;
-
ME592800
-
-
6.6
654.6033
Ceramide-AP t42:2; Ceramide-AP t18:1/24:1;
-
ME592805
-
-
6.6
691.6098
PC 40:3;
PC 40:3
ME592964
-
-
6.6
840.648
PC 42:4;
PC 42:4
ME592969
-
-
6.6
866.6635
PS 41:2;
PS 41:2
ME593028
-
-
6.6
858.6226
PC 39:2;
PC 39:2
ME592962
-
-
6.7
828.6475
PE 40:3; PE 22:0-18:3;
PE 18:3_22:0
ME592996
-
-
6.7
798.6011
PE 42:4; PE 24:1-18:3;
PE 18:3_24:1
ME593003
-
-
6.7
824.6163
SM d40:1;
SM 40:1;O2
ME593035
-
-
6.7
787.669
Ceramide-AP t42:1; Ceramide-AP t18:1/24:0;
-
ME592804
-
-
6.8
682.6343
HexCer-AP t42:1; HexCer-AP t18:1/24:0;
HexCer 18:1;O3/24:0*
ME592868
-
-
6.8
855.67855
PE 41:3;
PE 41:3
ME592999
-
-
6.8
812.6172
SM d42:2;
SM 42:2;O2
ME593037
-
-
6.8
813.6848
Ceramide-AP t41:2; Ceramide-AP t18:1/23:1;
-
ME592802
-
-
6.9
666.6036
Ceramide-AP t43:2; Ceramide-AP t18:1/25:1;
-
ME592807
-
-
6.9
694.6346
diacylglycerol 34:1;
-
ME592837
-
-
6.9
621.1845333
diacylglycerol 36:2;
-
ME592843
-
-
6.9
647.2002333
PS 42:2;
PS 42:2
ME593029
-
-
6.9
872.6378
Ceramide-AP t41:1; Ceramide-AP t18:1/23:0;
-
ME592801
-
-
7
679.60985
Ceramide d38:1;
Cer 38:1;O2
ME592795
-
-
7
616.5667
diacylglycerol 36:2; diacylglycerol 18:0-18:2;
-
ME592844
-
-
7
638.572
diacylglycerol 38:3; diacylglycerol 20:1-18:2;
-
ME592852
-
-
7
664.5881
GlcCer d40:1;
GlcCer 40:1;O2
ME592856
-
-
7
784.6651
GlcCer d42:2;
GlcCer 42:2;O2
ME592857
-
-
7
792.666
PC 40:2;
PC 40:2
ME592963
-
-
7
842.6638
PC 42:3;
PC 42:3
ME592968
-
-
7
868.6795
SM d40:0;
SM 40:0;O2
ME593034
-
-
7
789.6823
TAG 49:5; TAG 13:1-18:1-18:3;
TG 13:1_18:1_18:3*
ME593064
-
-
7
839.68345
HexCer-AP t43:1; HexCer-AP t18:1/25:0;
HexCer 18:1;O3/25:0*
ME592870
-
-
7.1
869.69425
PE 40:2; PE 22:0-18:2;
PE 18:2_22:0
ME592995
-
-
7.1
811.6073
PE 42:3; PE 24:1-18:2;
PE 18:2_24:1
ME593002
-
-
7.1
826.6324
diacylglycerol 38:3; diacylglycerol 20:0-18:3;
-
ME592851
-
-
7.2
664.5875
Ceramide-AP t44:2; Ceramide-AP t18:1/26:1;
-
ME592809
-
-
7.3
708.6503
PE 42:3; PE 24:0-18:3;
PE 18:3_24:0
ME593001
-
-
7.3
826.6321
HBMP 50:3; HBMP 16:0-16:0-18:3;
-
ME592858
-
-
7.4
1000.7595
HBMP 52:4; HBMP 16:0-18:2-18:2;
-
ME592859
-
-
7.4
1026.774
HexCer-AP t44:1; HexCer-AP t18:1/26:0;
HexCer 18:1;O3/26:0*
ME592871
-
-
7.4
883.70865
DGDG 42:2; DGDG 24:0-18:2;
-
ME592832
-
-
7.5
1049.2501
diacylglycerol 34:0; diacylglycerol 16:0-18:0;
-
ME592836
-
-
7.5
614.5719
diacylglycerol 36:1;
-
ME592842
-
-
7.5
649.2161
PE 41:2; PE 23:0-18:2;
PE 18:2_23:0
ME592998
-
-
7.5
814.632
Ceramide-AP t42:0; Ceramide-AP t18:0/24:0;
-
ME592803
-
-
7.6
695.6413
Ceramide-AP t43:1; Ceramide-AP t18:1/25:0;
-
ME592806
-
-
7.6
707.64155
Ceramide d40:1;
Cer 40:1;O2
ME592796
-
-
7.6
622.613
Ceramide d42:2; A
Cer 42:2;O2
ME592797
-
-
7.6
659.6199
AcylGlcADG 52:5;
-
ME592793
-
-
7.7
1046.7881
Ceramide d42:2; B
Cer 42:2;O2
ME592798
-
-
7.7
670.611
diacylglycerol 38:2; diacylglycerol 20:0-18:2;
-
ME592850
-
-
7.7
669.08115
HBMP 54:4; HBMP 18:1-18:1-18:2;
-
ME592862
-
-
7.7
1054.7927
HexCer-AP t45:1; HexCer-AP t18:1/27:0;
HexCer 18:1;O3/27:0*
ME592872
-
-
7.7
886.7351
PC 42:2; PC 24:0-18:2;
PC 18:2_24:0
ME592967
-
-
7.7
870.6951
PC 43:3e;
PC O-43:3
ME592970
-
-
7.7
868.704
PE 42:2; PE 24:0-18:2;
PE 18:2_24:0
ME593000
-
-
7.8
839.63885
Ceramide-AP t44:1; Ceramide-AP t18:1/26:0;
-
ME592808
-
-
7.9
721.6566
PC 44:2e;
PC O-44:2
ME592971
-
-
7.9
884.7343
HexCer-AP t46:1; HexCer-AP t18:1/28:0;
HexCer 18:1;O3/28:0*
ME592873
-
-
8
900.7499
TAG 42:3;
TG 42:3
ME593048
-
-
8
737.10685
AcylGlcADG 52:4; AcylGlcADG 18:2-16:0-18:2;
-
ME592792
-
-
8.1
1048.8038
diacylglycerol 36:0; diacylglycerol 18:0-18:0;
-
ME592841
-
-
8.1
653.06795
HBMP 54:3; HBMP 18:1-18:1-18:1;
-
ME592861
-
-
8.1
1059.2862
TAG 46:5;
TG 46:5
ME593055
-
-
8.1
789.13785
Ceramide-AP t45:1; Ceramide-AP t18:1/27:0;
-
ME592810
-
-
8.3
724.6824
diacylglycerol 29:4;
-
ME592835
-
-
8.3
536.4377
diacylglycerol 40:2; diacylglycerol 22:0-18:2;
-
ME592853
-
-
8.3
694.635
AcylGlcADG 50:2; AcylGlcADG 16:0-16:0-18:2;
-
ME592791
-
-
8.4
1027.2804
HBMP 54:2; HBMP 18:0-18:0-18:2;
-
ME592860
-
-
8.6
1058.8231
TAG 46:4; A
TG 46:4
ME593054
-
-
8.6
788.6794
TAG 54:9;
TG 54:9
ME593113
-
-
8.6
893.2011
TAG 48:5;
TG 48:5
ME593060
-
-
8.7
823.3193
TAG 53:8; TAG 17:2-18:3-18:3;
TG 17:2_18:3_18:3
ME593098
-
-
8.7
881.20115
TAG 50:6;
TG 50:6
ME593071
-
-
8.8
843.18565
TAG 52:5; TAG 18:1-16:2-18:2;
TG 16:2_18:1_18:2
ME593084
-
-
8.9
875.7141
TAG 52:7; TAG 16:1-18:3-18:3;
TG 16:1_18:3_18:3
ME593088
-
-
8.9
869.20135
TAG 46:3; A
TG 46:3
ME593052
-
-
9
790.6938
TAG 54:8;
TG 54:8
ME593111
-
-
9
913.6675
TAG 54:8; TAG 18:2-18:3-18:3;
TG 18:2_18:3_18:3
ME593112
-
-
9
895.21645
TAG 46:3; B
TG 46:3
ME593053
-
-
9.1
790.6915
TAG 48:4; B
TG 48:4
ME593059
-
-
9.1
825.3366667
TAG 51:6; TAG 15:0-18:3-18:3;
TG 15:0_18:3_18:3
ME593076
-
-
9.1
857.20125
TAG 53:7; TAG 17:2-18:2-18:3;
TG 17:2_18:2_18:3
ME593097
-
-
9.1
883.2168
TAG 50:5;
TG 50:5
ME593070
-
-
9.2
851.3518
TAG 52:4; TAG 17:1-17:1-18:2;
TG 17:1_17:1_18:2
ME593082
-
-
9.3
877.7221
TAG 52:6; TAG 16:0-18:3-18:3;
TG 16:0_18:3_18:3
ME593086
-
-
9.3
877.3675
TAG 52:6; TAG 16:1-18:2-18:3;
TG 16:1_18:2_18:3
ME593087
-
-
9.3
871.2172
TAG 54:7; A
TG 54:7
ME593110
-
-
9.3
903.3827333
1_TG (14:0/16:1/14:0)-d5 iSTD
-
ME592784
-
-
9.4
780.3515333
TAG 44:1;
TG 44:1
ME593049
-
-
9.4
766.6927
TAG 52:6;
TG 52:6
ME593085
-
-
9.4
877.3673667
TAG 56:8; TAG 18:2-18:3-20:3;
TG 18:2_18:3_20:3
ME593135
-
-
9.4
920.7698
TAG 46:2;
TG 46:2
ME593051
-
-
9.5
801.3352333
TAG 48:3;
TG 48:3
ME593058
-
-
9.5
827.3514
TAG 51:5;
TG 51:5
ME593075
-
-
9.5
865.3679
TAG 53:6; TAG 17:1-18:2-18:3;
TG 17:1_18:2_18:3
ME593096
-
-
9.5
885.23255
TAG 50:4;
TG 50:4
ME593069
-
-
9.6
853.3676
TAG 53:6; TAG 17:0-18:3-18:3;
TG 17:0_18:3_18:3
ME593095
-
-
9.6
882.7549
TAG 56:8; A
TG 56:8
ME593134
-
-
9.6
920.771
TAG 52:5;
TG 52:5
ME593083
-
-
9.7
879.3832333
TAG 54:6; A
TG 54:6
ME593107
-
-
9.7
909.71175
cholesteryl ester 22:6;
-
ME592817
-
-
9.8
714.6183
TAG 49:3;
TG 49:3
ME593063
-
-
9.8
832.7388
TAG 54:6; B
TG 54:6
ME593108
-
-
9.8
905.3982333
TAG 46:1;
TG 46:1
ME593050
-
-
9.9
803.3515667
TAG 51:4;
TG 51:4
ME593074
-
-
9.9
867.383
TAG 53:5;
TG 53:5
ME593094
-
-
9.9
893.3986667
Analysis: Reversed phase NEGATIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
1_CUDA iSTD
-
ME593162
-
-
0.6
339.2651
LPG 18:2;
LPG 18:2
ME593296
-
-
0.7
507.2725
LPI 18:2;
LPI 18:2
ME593298
-
-
0.7
595.2892
Juniperic acid
Juniperic acid
ME593274
-
-
0.8
271.2278
LPG 16:1;
LPG 16:1
ME593295
-
-
0.8
481.2573
LPI 16:0;
LPI 16:0
ME593297
-
-
0.8
571.2888
LPE 18:3;
LPE 18:3
ME593289
-
-
0.9
474.2625
LPC 14:0;
LPC 14:0
ME593275
-
-
1
526.315
LPG 16:0;
LPG 16:0
ME593294
-
-
1
483.273
FA 38:0;
Octatriacontanoic acid
ME593250
-
-
10
563.5773
MGDG 46:0;
MGDG 46:0
ME593304
-
-
10.1
971.7931
FA 42:1;
-
ME593254
-
-
10.4
617.6248
LPC 18:2 a
LPC 18:2
ME593280
-
-
1.2
564.331
LPC 18:2 b
LPC 18:2
ME593281
-
-
1.2
578.3466
LPE 18:2;
LPE 18:2
ME593288
-
-
1.2
476.2783
LPE 20:4;
LPE 20:4
ME593291
-
-
1.2
500.2785
1_LPE 17:1; iSTD
-
ME593165
-
-
1.3
464.278
LPC 22:5;
LPC 22:5
ME593284
-
-
1.3
628.3634
FA 20:5; (eicosapentaenoic acid)
Eicosapentaenoic acid
ME593221
-
-
1.4
301.2171
LPC 16:0;
LPC 16:0
ME593276
-
-
1.4
480.3093_540.3307
LPC 20:3;
LPC 20:3
ME593283
-
-
1.4
604.3623
FA 18:3; (linolenic acid)
Octadecatrienoic acid
ME593215
-
-
1.5
277.2171
LPE 16:0;
LPE 16:0
ME593285
-
-
1.5
452.2783
LPC 18:1;
LPC 18:1
ME593279
-
-
1.6
580.3622_566.3466
LPC 20:2;
LPC 20:2
ME593282
-
-
1.7
606.3771
1_LPC 17:0; iSTD
-
ME593164
-
-
1.8
568.3622
FA 20:4; (arachidonic acid)
Arachidonic acid
ME593220
-
-
1.8
303.2328
LPE 17:1;
LPE 17:1
ME593286
-
-
1.9
464.2783
FA 18:2; (linoleic acid)
Linoleic acid
ME593214
-
-
2
279.2328
LPC 18:0;
LPC 18:0
ME593277
-
-
2.2
568.3621
LPC 18:0; B
LPC 18:0
ME593278
-
-
2.2
582.3777
LPE 18:0;
LPE 18:0
ME593287
-
-
2.2
480.3096
FA 20:3; (homo-gamma-linolenic acid)
Dihomo-gamma-linolenic acid
ME593219
-
-
2.3
305.2485
1_FA 16:0-d3; iSTD
-
ME593163
-
-
2.4
258.2516
FA 18:1; (oleic acid)
Oleic acid
ME593213
-
-
2.6
281.2484
FA 20:2; (eicosadienoic acid)
Eicosadienoic acid
ME593218
-
-
2.8
307.2642
1_MAG 17:0/0:0/0:0; iSTD
-
ME593166
-
-
3
403.3063
LPE 20:0;
LPE 20:0
ME593290
-
-
3.1
508.3401
DLCL 36:6;
DLCL 36:6
ME593212
-
-
3.3
919.486
FA 20:1; (eicosenoic acid)
Eicosenoic acid
ME593217
-
-
3.3
309.2799
PI 36:6; PI 18:3-18:3;
PI 18:3/18:3
ME593403
-
-
3.3
853.488
SQDG 36:6; SQDG 18:3-18:3;
SQDG 36:6
ME593433
-
-
3.3
837.4835
FA 22:2; (docosadienoic acid)
Docosadienoic acid
ME593225
-
-
3.4
335.2957
PG 36:6; PG 18:3-18:3;
PG 18:3/18:3
ME593389
-
-
3.4
765.4721
SQDG 32:3; SQDG 14:0-18:3;
-
ME593423
-
-
3.4
787.4681
1_PC 12:0/13:0; iSTD
-
ME593167
-
-
3.5
694.4671
SQDG 34:4; SQDG 16:1-18:3;
-
ME593428
-
-
3.5
813.4839
SQDG 36:5; SQDG 18:2-18:3;
-
ME593432
-
-
3.5
839.4993
LPE 22:0;
LPE 22:0
ME593292
-
-
3.6
536.3723
PI 33:3; PI 15:0-18:3;
PI 15:0_18:3
ME593393
-
-
3.6
817.4883
PI 36:5; PI 18:2-18:3;
PI 18:2_18:3
ME593402
-
-
3.6
855.5036
PMeOH 36:6; PMeOH 18:3-18:3;
-
ME593408
-
-
3.6
705.4509
SQDG 33:3;
SQDG 33:3
ME593425
-
-
3.6
801.4838
SQDG 38:6;
SQDG 38:6
ME593434
-
-
3.6
865.5153
OxPC 34:2+1O; OxPC 16:0-18:2+1O;
-
ME593305
-
-
3.7
818.5566
PG 36:5; PG 18:2-18:3;
PG 18:2_18:3
ME593388
-
-
3.7
767.4877
PI 32:2; PI 14:0-18:2;
PI 14:0_18:2
ME593391
-
-
3.7
805.4882
SQDG 34:3; SQDG 16:0-18:3;
SQDG 34:3
ME593427
-
-
3.7
815.4993
FA 22:1; (erucic acid)
cis-Erucic acid
ME593224
-
-
3.8
337.3112
PG 34:4; PG 16:1-18:3;
PG 16:1_18:3
ME593385
-
-
3.8
741.472
PI 34:3; PI 16:0-18:3;
PI 16:0_18:3
ME593396
-
-
3.8
831.504
PI 36:4; PI 18:2-18:2;
PI 18:2/18:2
ME593401
-
-
3.8
857.5194
PMeOH 36:5; PMeOH 18:2-18:3;
-
ME593407
-
-
3.8
707.4663
SQDG 30:0; SQDG 14:0-16:0;
-
ME593419
-
-
3.8
765.4836
SQDG 31:1; SQDG 16:0-15:1;
-
ME593420
-
-
3.8
777.4838
SQDG 36:4; SQDG 18:1-18:3;
-
ME593431
-
-
3.8
841.5148
GlcADG 34:3; GlcADG 16:0-18:3;
-
ME593257
-
-
3.9
765.5164
GlcADG 36:4; GlcADG 18:2-18:2;
-
ME593258
-
-
3.9
791.5317
PG 31:2; PG 15:1-16:1;
PG 15:1_16:1
ME593376
-
-
3.9
703.4561
PG 32:2; PG 16:1-16:1;
PG 16:1/16:1
ME593379
-
-
3.9
717.4721
PG 34:3; PG 16:0-18:3;
PG 16:0_18:3
ME593384
-
-
3.9
743.4877
PG 36:4; PG 18:2-18:2;
PG 18:2/18:2
ME593387
-
-
3.9
769.5032
PI 33:2; PI 15:0-18:2;
PI 15:0_18:2
ME593392
-
-
3.9
819.5038
PS 34:3; PS 16:0-18:3;
PS 16:0_18:3
ME593410
-
-
3.9
756.4828
SQDG 32:1; SQDG 16:0-16:1;
-
ME593422
-
-
3.9
791.499
FA 24:2;
Tetracosadienoic acid
ME593229
-
-
4
363.327
PC 36:6; PC 18:3-18:3;
PC 18:3/18:3
ME593334
-
-
4
822.5305
PG 31:1; PG 16:0-15:1;
PG 15:1_16:0
ME593375
-
-
4
705.4718
PI 32:1; PI 14:0-18:1;
PI 14:0_18:1
ME593390
-
-
4
807.5041
SQDG 34:2; SQDG 16:0-18:2;
-
ME593426
-
-
4
817.5151
SQDG 35:3; SQDG 17:0-18:3;
-
ME593429
-
-
4
829.515
FA 21:0;
Heneicosylic acid
ME593222
-
-
4.1
325.3111
LPE 24:0;
LPE 24:0
ME593293
-
-
4.1
564.4036
PE 36:6; PE 18:3-18:3;
PE 18:3/18:3
ME593360
-
-
4.1
734.4774
PI 34:2; PI 16:0-18:2;
PI 16:0_18:2
ME593395
-
-
4.1
833.5195
PMeOH 34:3; PMeOH 16:0-18:3;
-
ME593406
-
-
4.1
683.4662
SQDG 33:1;
SQDG 33:1
ME593424
-
-
4.1
805.5125
SQDG 36:3; SQDG 18:0-18:3;
SQDG 36:3
ME593430
-
-
4.1
843.5305
1_PI (15:0-18:1)-d7? iSTD
-
ME593170
-
-
4.2
828.5629
FA 26:3;
Hexacosatrienoic acid
ME593233
-
-
4.2
389.3424
GlcADG 34:2; GlcADG 16:0-18:2;
-
ME593256
-
-
4.2
767.5323
HexCer-AP t34:1; HexCer-AP t18:1/16:0;
HexCer 18:1;O3/16:0*
ME593263
-
-
4.2
776.554_730.5482
PE 32:3; PE 14:0-18:3;
PE 14:0_18:3
ME593347
-
-
4.2
684.4616
PG 34:2; PG 16:0-18:2;
PG 16:0_18:2
ME593383
-
-
4.2
745.5035
PI 36:3; PI 18:0-18:3;
PI 18:0_18:3
ME593400
-
-
4.2
859.5353
PS 34:2; PS 16:0-18:2;
PS 16:0_18:2
ME593409
-
-
4.2
758.498
MGDG 36:6; MGDG 18:3-18:3;
-
ME593303
-
-
4.3
819.5278
PC 36:5; A
PC 36:5
ME593331
-
-
4.3
838.5613
PC 36:5; PC 18:2-18:3;
PC 18:2_18:3
ME593333
-
-
4.3
824.5459
PG 32:1; PG 16:0-16:1;
PG 16:0_16:1
ME593378
-
-
4.3
719.4877
PG 36:3; PG 18:1-18:2;
PG 18:1_18:2
ME593386
-
-
4.3
771.519
PI 35:2; PI 17:0-18:2;
PI 17:0_18:2
ME593397
-
-
4.3
847.5346
SQDG 32:0; SQDG 16:0-16:0;
-
ME593421
-
-
4.3
793.5149
FA 24:1; (nervonic acid)
Nervonic acid
ME593228
-
-
4.4
365.3423
PC 34:4;
PC 34:4
ME593317
-
-
4.4
812.5474
PE 36:5; PE 18:2-18:3;
PE 18:2_18:3
ME593359
-
-
4.4
736.4933
PI 34:1; PI 16:0-18:1;
PI 16:0_18:1
ME593394
-
-
4.4
835.5354
PMeOH 34:2; PMeOH 16:0-18:2;
-
ME593405
-
-
4.4
685.482
PC 32:2;
PC 32:2
ME593310
-
-
4.5
788.5457
PC 33:3e; PC 28:3e/5:0;
PC O-28:3/5:0*
ME593312
-
-
4.5
772.5589
PG 32:0; PG 16:0-16:0;
PG 16:0/16:0
ME593377
-
-
4.5
721.5033
PI 36:2; PI 18:0-18:2;
PI 18:0_18:2
ME593399
-
-
4.5
861.5508
FA 26:2;
Hexacosadienoic acid
ME593232
-
-
4.6
391.3583
PC 34:3;
PC 34:3
ME593315
-
-
4.6
790.5165_814.5611
PC 36:5; B
PC 36:5
ME593332
-
-
4.6
838.5612
PE 32:2; PE 14:0-18:2;
PE 14:0_18:2
ME593346
-
-
4.6
686.4774
PG 33:1; PG 17:0-16:1;
PG 16:1_17:0
ME593380
-
-
4.6
733.5035
PG 34:1; PG 16:0-18:1;
PG 16:0_18:1
ME593381
-
-
4.6
747.5192
PS 36:2; PS 18:0-18:2;
PS 18:0_18:2
ME593411
-
-
4.6
786.5302
Ceramide-AP t34:1; Ceramide-AP t18:1/16:0;
-
ME593183
-
-
4.7
614.5005_568.4947
Ceramide-AP t35:1; Ceramide-AP t19:1/16:0;
-
ME593184
-
-
4.7
628.5161
MGDG 36:5; MGDG 18:2-18:3;
MGDG 18:2_18:3
ME593302
-
-
4.7
821.5432
PC 34:3; PC 16:0-18:3;
PC 16:0_18:3
ME593316
-
-
4.7
800.5459
PC 35:4;
PC 35:4
ME593320
-
-
4.7
826.5614
PC 36:4; A
PC 36:4
ME593329
-
-
4.7
840.577
PE 34:3; PE 16:0-18:3;
PE 16:0_18:3
ME593351
-
-
4.7
712.493
PI 38:3; PI 18:0-20:3;
PI 18:0_20:3
ME593404
-
-
4.7
887.5664
FA 20:0; (arachidic acid)
Arachidic acid
ME593216
-
-
4.8
311.2955
FA 23:0;
Tricosylic acid
ME593226
-
-
4.8
353.3426
GlcCerd14:14E/20:02OH;
-
ME593260
-
-
4.8
750.5298_774.5740
HexCer-AP t36:1; HexCer-AP t18:1/18:0;
HexCer 18:1;O3/18:0*
ME593264
-
-
4.8
758.5798_794.5561
PC 33:2;
PC 33:2
ME593311
-
-
4.8
802.5616
PE 36:4; PE 18:2-18:2;
PE 18:2/18:2
ME593358
-
-
4.8
738.509
PG 34:1; PG 18:0-16:1;
PG 16:1_18:0
ME593382
-
-
4.8
747.5192
PS 38:3; PS 20:0-18:3;
PS 18:3_20:0
ME593412
-
-
4.8
812.5456
Ceramide-NP t34:1; Ceramide-NP t18:1/16:0;
-
ME593204
-
-
4.9
598.5058
PC 32:1;
PC 32:1
ME593308
-
-
4.9
790.5613
PC 32:1; PC 16:0-16:1;
PC 16:0_16:1
ME593309
-
-
4.9
776.546
PE 33:2; PE 15:0-18:2;
PE 15:0_18:2
ME593348
-
-
4.9
700.4929
PE 38:5; PE 20:2-18:3;
PE 18:3_20:2
ME593365
-
-
4.9
764.525
PI 36:1; PI 18:0-18:1;
PI 18:0_18:1
ME593398
-
-
4.9
863.5664
1_PG 17:0/17:0; iSTD
-
ME593169
-
-
5
749.5344
Ceramide-AP t34:0; Ceramide-AP t18:0/16:0;
-
ME593182
-
-
5
570.5102_606.4876
PC 36:4; B
PC 36:4
ME593330
-
-
5
840.5767
1_SM d18:1/17:0; iSTD
-
ME593171
-
-
5.1
775.5977
FA 26:1;
Hexacosenoic acid
ME593231
-
-
5.1
393.3738
MGDG 34:3; MGDG 16:0-18:3;
MGDG 16:0_18:3
ME593300
-
-
5.1
797.5433
MGDG 36:4; MGDG 18:1-18:3;
MGDG 18:1_18:3
ME593301
-
-
5.1
823.5588
PC 34:2;
PC 34:2
ME593314
-
-
5.1
816.5768_802.5614
PC 36:3; A
PC 36:3
ME593325
-
-
5.1
842.5924
PC 36:3; PC 18:1-18:2;
PC 18:1_18:2
ME593328
-
-
5.1
828.5772
PE 36:4;
PE 36:4
ME593357
-
-
5.1
738.5085
Ceramide-AS d34:1; Ceramide-AS d18:1/16:0;
-
ME593203
-
-
5.2
552.4998_612.5209
PC 36:3; B
PC 36:3
ME593326
-
-
5.2
842.5924
PC 36:3; PC 16:0-20:3;
PC 16:0_20:3
ME593327
-
-
5.2
768.5538_828.5772
PC 37:4;
PC 37:4
ME593337
-
-
5.2
854.5903
PE 34:2;
PE 34:2
ME593350
-
-
5.2
714.5087
PE 36:3;
PE 36:3
ME593355
-
-
5.2
740.5247
PC 35:2;
PC 35:2
ME593319
-
-
5.3
830.592
PE 38:4; PE 18:2-20:2;
PE 18:2_20:2
ME593364
-
-
5.3
766.54
FA 22:0;
Behenic acid
ME593223
-
-
5.4
339.3267
HexCer-AP t38:1; HexCer-AP t18:1/20:0;
HexCer 18:1;O3/20:0*
ME593265
-
-
5.4
786.611
PC 37:1;
PC 37:1
ME593335
-
-
5.4
846.6321
PC 40:6; B
PC 40:6
ME593343
-
-
5.4
892.6082
PE 36:3; PE 18:0-18:3;
PE 18:0_18:3
ME593356
-
-
5.4
740.5245
MGDG 34:2; MGDG 16:0-18:2;
MGDG 16:0_18:2
ME593299
-
-
5.5
799.559
PC 32:0;
PC 32:0
ME593306
-
-
5.5
792.5768
PC 32:0; PC 16:0-16:0;
PC 16:0/16:0
ME593307
-
-
5.5
778.561
PC 34:1;
PC 34:1
ME593313
-
-
5.5
818.5925
PE 35:2; PE 17:0-18:2;
PE 17:0_18:2
ME593352
-
-
5.5
728.5245
PE 36:1;
PE 36:1
ME593353
-
-
5.5
744.5493_804.5771
PE 40:6; PE 18:0-22:6;
PE 18:0_22:6
ME593368
-
-
5.5
790.5394
Ceramide d34:1;
Cer 34:1;O2
ME593177
-
-
5.6
572.4818_596.5263
PC 36:2;
PC 36:2
ME593323
-
-
5.6
844.6085
PC 36:2; PC 18:1-18:1;
PC 18:1/18:1
ME593324
-
-
5.6
830.593
PC 38:4; PC 18:0-20:4;
PC 18:0_20:4
ME593340
-
-
5.6
854.5925
PE 34:1;
PE 34:1
ME593349
-
-
5.6
716.5244
PE 38:2;
PE 38:2
ME593361
-
-
5.7
770.5735_830.5930
Ceramide d34:0;
Cer 34:0;O2
ME593176
-
-
5.8
574.4975
HexCer-AP t39:1; HexCer-AP t18:1/21:0;
HexCer 18:1;O3/21:0*
ME593266
-
-
5.8
800.6265
PC 38:3; PC 18:0-20:3;
PC 18:0_20:3
ME593339
-
-
5.8
856.6085
PE 36:2;
PE 36:2
ME593354
-
-
5.8
742.5402
1_Ceramide d18:1/17:0; iSTD
-
ME593161
-
-
5.9
586.4976_610.5417
Ceramide-AP t38:1; Ceramide-AP t18:1/20:0;
-
ME593185
-
-
5.9
624.5576
Ceramide-AP t39:1; Ceramide-AP t19:1/20:0;
-
ME593186
-
-
5.9
684.579
FA 26:0; (cerotic acid)
Cerotic acid
ME593230
-
-
5.9
395.3891
PC 35:1;
PC 35:1
ME593318
-
-
5.9
832.6077
PC 38:3;
PC 38:3
ME593338
-
-
5.9
870.6238
PS 40:2; PS 22:0-18:2;
PS 18:2_22:0
ME593413
-
-
5.9
842.5925
PC 37:2;
PC 37:2
ME593336
-
-
6
858.6239
PE 38:3; PE 20:0-18:3;
PE 18:3_20:0
ME593363
-
-
6
768.5559
SM d38:1;
SM 38:1;O2
ME593415
-
-
6
817.6452
FA 24:0;
Lignoceric acid
ME593227
-
-
6.1
367.358
HexCer-AP t40:1; HexCer-AP t18:1/22:0;
HexCer 18:1;O3/22:0*
ME593267
-
-
6.1
860.6478_814.6423
HexCer-AP t42:2; HexCer-AP t18:1/24:1;
HexCer 18:1;O3/24:1*
ME593270
-
-
6.1
840.6575_900.6797
PC 39:1;
PC 39:1
ME593341
-
-
6.1
874.6636
PC 40:4;
PC 40:4
ME593342
-
-
6.1
896.6403
1_PE 17:0/17:0; iSTD
-
ME593168
-
-
6.2
718.54
FA 27:0;
Carboceric acid
ME593234
-
-
6.2
409.4051
PC 36:1;
PC 36:1
ME593321
-
-
6.2
846.624
PC 36:1; PC 18:0-18:1;
PC 18:0_18:1
ME593322
-
-
6.2
832.6085
1_5-PAHSA-d9 iSTD
-
ME593160
-
-
6.3
546.5455
HexCer-AP t41:1; HexCer-AP t18:1/23:0;
HexCer 18:1;O3/23:0*
ME593268
-
-
6.4
828.6581
PE 38:2; PE 20:0-18:2;
PE 18:2_20:0
ME593362
-
-
6.4
770.5711
SM d39:1;
SM 39:1;O2
ME593416
-
-
6.4
831.661
Ceramide-AP t40:1; Ceramide-AP t18:1/22:0;
-
ME593187
-
-
6.6
698.5947_652.5889
Ceramide-AP t41:1; Ceramide-AP t19:1/22:0;
-
ME593189
-
-
6.6
712.6103
Ceramide-AP t42:2; Ceramide-AP t18:1/24:1;
-
ME593193
-
-
6.6
724.6104_678.6044
Ceramide-AP t43:2; Ceramide-AP t19:1/24:1;
-
ME593197
-
-
6.6
738.6263
FA 28:0; (montanic acid)
Montanic acid
ME593235
-
-
6.6
423.4209
HBMP 52:5; HBMP 16:0-18:2-18:3;
-
ME593262
-
-
6.6
1005.7177
PE 40:3; PE 22:0-18:3;
PE 18:3_22:0
ME593367
-
-
6.6
796.5867
PE 42:4; PE 24:1-18:3;
PE 18:3_24:1
ME593373
-
-
6.6
822.6023
PS 42:2; PS 24:0-18:2;
PS 18:2_24:0
ME593414
-
-
6.6
870.6236
AcylGlcADG 52:5; AcylGlcADG 16:0-18:2-18:3;
-
ME593175
-
-
6.7
1027.7473
SM d40:1;
SM 40:1;O2
ME593417
-
-
6.7
845.6761
FA 44:10;
FA 44:10
ME593255
-
-
6.8
627.5207
HexCer-AP t42:1; HexCer-AP t18:1/24:0;
HexCer 18:1;O3/24:0*
ME593269
-
-
6.8
888.679_842.6733
PC 41:1;
PC 41:1
ME593344
-
-
6.8
902.6953
Ceramide-NP t40:1; Ceramide-NP t18:1/22:0;
-
ME593205
-
-
6.9
682.5996
Ceramide-NP t42:2; Ceramide-NP t18:1/24:1;
-
ME593209
-
-
6.9
708.6152
FA 34:3;
Tetratriacontatrienoic acid
ME593244
-
-
6.9
501.4677
GlcCer d40:1;
GlcCer 40:1;O2
ME593259
-
-
6.9
842.6739
HBMP 52:4; HBMP 16:0-18:2-18:2;
-
ME593261
-
-
6.9
1007.7336
Ceramide-AP t41:1; Ceramide-AP t18:1/23:0;
-
ME593188
-
-
7
712.6105_666.6045
Ceramide-AP t42:1; Ceramide-AP t19:1/23:0;
-
ME593192
-
-
7
726.6271
FA 29:0;
Nonacosylic acid
ME593236
-
-
7
437.4363
AcylGlcADG 50:3; AcylGlcADG 16:0-16:0-18:3;
-
ME593173
-
-
7.1
1003.7458
AcylGlcADG 52:4; AcylGlcADG 16:0-18:2-18:2;
-
ME593174
-
-
7.1
1029.7622
HexCer-AP t43:1; HexCer-AP t18:1/25:0;
HexCer 18:1;O3/25:0*
ME593271
-
-
7.1
856.6891_892.6657
PE 40:2; PE 22:0-18:2;
PE 18:2_22:0
ME593366
-
-
7.1
798.6027
Ceramide-AP t44:2; Ceramide-AP t18:1/26:1;
-
ME593200
-
-
7.2
706.6357_766.6582
Ceramide-NP t41:1; Ceramide-NP t18:1/23:0;
-
ME593206
-
-
7.2
696.6152
Ceramide-AP t42:1; Ceramide-AP t18:1/24:0;
-
ME593191
-
-
7.3
726.6262_680.6201
Ceramide-AP t43:1; Ceramide-AP t19:1/24:0;
-
ME593196
-
-
7.3
740.6418
Ceramide d39:1;
Cer 39:1;O2
ME593178
-
-
7.3
666.6038
FA 32:1;
Dotriacontenoic acid
ME593240
-
-
7.3
477.4679
PE 42:3; PE 24:0-18:3;
PE 18:3_24:0
ME593372
-
-
7.3
824.6189
FA 30:0;
Melissic acid
ME593237
-
-
7.4
451.4521
FA 34:2;
Tetratriacontadienoic acid
ME593243
-
-
7.4
503.4836
HexCer-AP t44:1; HexCer-AP t18:1/26:0;
HexCer 18:1;O3/26:0*
ME593272
-
-
7.4
916.7106_870.7043
PC 43:1;
PC 43:1
ME593345
-
-
7.4
930.7268
PE 41:2; PE 23:0-18:2;
PE 18:2_23:0
ME593369
-
-
7.4
812.6185
SM d42:1;
SM 42:1;O2
ME593418
-
-
7.4
873.7075
AcylGlcADG 50:2; AcylGlcADG 16:0-16:0-18:2;
-
ME593172
-
-
7.5
1005.7622
Ceramide-AP t42:0; Ceramide-AP t18:0/24:0;
-
ME593190
-
-
7.6
682.6358
Ceramide-AP t43:0; Ceramide-AP t19:0/24:0;
-
ME593194
-
-
7.6
742.6569
Ceramide-AP t43:1; Ceramide-AP t18:1/25:0;
-
ME593195
-
-
7.6
740.6419_694.6359
Ceramide-AP t44:1; Ceramide-AP t19:1/25:0;
-
ME593199
-
-
7.6
754.6576
Ceramide d40:1;
Cer 40:1;O2
ME593179
-
-
7.6
680.6201
Ceramide-NP t42:1; Ceramide-NP t18:1/24:0;
-
ME593208
-
-
7.6
710.6312_664.6248
FA 36:3;
-
ME593248
-
-
7.6
529.4991
FA 31:0;
Hentriacontylic acid
ME593238
-
-
7.7
465.4676
HexCer-AP t45:1; HexCer-AP t18:1/27:0;
HexCer 18:1;O3/27:0*
ME593273
-
-
7.7
884.7206_944.7418
PE 42:2; PE 24:0-18:2;
PE 18:2_24:0
ME593371
-
-
7.7
826.6343
Ceramide-AP t44:1; Ceramide-AP t18:1/26:0;
-
ME593198
-
-
7.9
754.6574_708.6517
Ceramide-AP t45:1; Ceramide-AP t19:1/26:0;
-
ME593202
-
-
7.9
768.673
Ceramide d41:1;
Cer 41:1;O2
ME593180
-
-
7.9
694.6361
Ceramide-NP t42:0; Ceramide-NP t18:0/24:0;
-
ME593207
-
-
7.9
712.6467
PE 43:2; PE 25:0-18:2;
PE 18:2_25:0
ME593374
-
-
8
840.6499
FA 32:0;
Lacceroic acid
ME593239
-
-
8.1
479.4833
FA 34:1;
Tetratriacontenoic acid
ME593242
-
-
8.1
505.4993
Ceramide-AP t45:1; Ceramide-AP t18:1/27:0;
-
ME593201
-
-
8.2
722.6675_782.6895
Ceramide d42:1;
Cer 42:1;O2
ME593181
-
-
8.2
708.6517
Ceramide-NP t44:1; Ceramide-NP t18:1/26:0;
-
ME593210
-
-
8.2
738.6624
Ceramide-NS d42:1; Ceramide-NS d18:1/24:0;
-
ME593211
-
-
8.2
694.6361
FA 36:2;
-
ME593247
-
-
8.2
531.5147
PE 42:1; PE 24:0-18:1;
PE 18:1_24:0
ME593370
-
-
8.2
828.6505
FA 36:1;
-
ME593246
-
-
8.7
533.5304
FA 34:0;
Gheddic acid
ME593241
-
-
8.8
507.5145
FA 38:2;
-
ME593252
-
-
8.8
559.5462
FA 38:1;
-
ME593251
-
-
9.3
561.5618
FA 36:0;
Hexatriacontylic acid
ME593245
-
-
9.4
535.5462
FA 37:0;
Heptatriacontanoic acid
ME593249
-
-
9.6
549.5619
FA 40:1;
-
ME593253
-
-
9.9
589.5934
Analysis: Normal phase POSITIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
L-ARGININE
Arginine
ME593795
-
-
0.57
175.1204
R-(-)-Phenyl-1,2-ethanediol
-
ME593955
-
-
0.574
121.0658
Hexaethylene glycol
Hexaethylene glycol
ME593750
-
-
0.575
283.1775
DL-Phenylalanine
Phenylalanine
ME593695
-
-
0.587
166.0876
D-(+)-Trehalose
Trehalose
ME593664
-
-
0.589
360.1533
L-(-)-3-Phenyllactic acid
L-3-Phenyllactic acid
ME593792
-
-
0.59
131.0503
(-)-Epigallocatechin
Epigallocatechin
ME593438
-
-
0.619
307.0837
Ile-Glu
Ile-Glu
ME593763
-
-
0.619
261.1468
Ethanone, 1-(5-hydroxy-1-pentyl-1H-indol-3-yl)-2-(...
-
ME593707
-
-
0.629
121.0658
.gamma.-Glutamyl-(S)-allyl-L-cysteine
-
ME593475
-
-
0.655
162.0596
Chalcone
Chalcone
ME593644
-
-
0.656
131.0503
Procyanidin B2
Procyanidin B2
ME593940
-
-
0.661
579.1546
Neochlorogenic acid
-
ME593883
-
-
0.662
163.0402
N-Acetyl-DL-leucine
-
ME593871
-
-
0.677
132.103
5'-O-Acetyladenosine
-
ME593578
-
-
0.683
310.1167
Arg-Arg
Arg-Arg
ME593610
-
-
0.683
331.2227
Sinapyl alcohol
Sinapyl alcohol
ME593979
-
-
0.696
193.0876
1-Ethyl-4-piperidinylamine
-
ME593503
-
-
0.697
129.1397
L-Arginine, methyl ester
-
ME593796
-
-
0.699
189.1249
.alpha.-Pyrrolidinopropiophenone
-
ME593464
-
-
0.71
133.0659
Mellein
-
ME593835
-
-
0.721
161.061
(2S)-Nicotine 1-oxide
-
ME593453
-
-
0.755
148.0803
N8-Acetylspermidine
N8-Acetylspermidine
ME593870
-
-
0.76
188.1773
Eleutheroside B
Syringin
ME593699
-
-
0.764
395.1345
Salicin
Salicin
ME593963
-
-
0.766
309.0972
(+)-Catechin
Catechin
ME593446
-
-
0.767
291.1034
Flavanomarein
-
ME593720
-
-
0.774
289.0732
4-Hydroxy-3-methoxyphenethyl alcohol
-
ME593560
-
-
0.779
151.0767
Sucrose
Sucrose
ME593992
-
-
0.78
365.1053
L-Glutamic acid
Glutamic acid
ME593804
-
-
0.783
148.0616
3,5-Dimethoxy-4-hydroxycinnamic acid
Sinapic acid
ME593535
-
-
0.789
225.0774
L-Glutamine
Glutamine
ME593805
-
-
0.795_0.804
130.051_147.0777
3-Acetamidophenol
-
ME593539
-
-
0.806
152.0718
1_Hippuric acid-d5 iSTD_[M+H]+_QIAFMBKCNZACKA-RALI...
-
ME593490
-
-
0.807
185.0985
Ala-Leu
Ala-Leu
ME593594
-
-
0.809
203.1408
Helicin
-
ME593749
-
-
0.815
307.0815
Val-Val
Val-Val
ME594049
-
-
0.823
217.1565
N-Acetyl-S-farnesyl-L-cysteine
-
ME593872
-
-
0.835
130.051
(E)-3-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hyd...
-
ME593456
-
-
0.839
344.1369
Ethyl trans-caffeate
-
ME593711
-
-
0.854
163.0402
2-Methylquinolin-8-ol
-
ME593522
-
-
0.885
160.077
gamma-Glutamylleucine
gamma-Glutamylleucine
ME593729
-
-
0.891
261.1466
Cyanidin-3-O-alpha-arabinopyranoside
-
ME593661
-
-
0.894
419.1005
3,7,4'-Trihydroxyflavone
-
ME593537
-
-
0.895
271.062
Asp-Ile
Asp-Ile
ME593617
-
-
0.914
247.1311
Pro-Leu-Lys
Pro-Leu-Lys
ME593942
-
-
0.916
357.2525
Serotonin
Serotonin
ME593974
-
-
0.919
177.1037
2-Amino-m-cresol
-
ME593514
-
-
0.932
124.0768
Ser-Leu
Ser-Leu
ME593973
-
-
0.95
219.1358
Citric acid
Citric acid
ME593653
-
-
0.957
210.0627
(-)-Gallocatechin 3-gallate
-
ME593440
-
-
0.959
289.0733
3-Acetyl-3-methyldihydrofuran-2-one
-
ME593540
-
-
0.978
143.0716
Gln-Ile
Gln-Ile
ME593736
-
-
0.987
260.163
Z-Ligustilide
-
ME594051
-
-
0.99
191.1081
Riboflavin
Riboflavin
ME593958
-
-
0.996
377.1486
(4S,5Z,6S)-4-(2-methoxy-2-oxoethyl)-5-[2-[(E)-3-ph...
Scoparone
ME593454
-
-
1.005
225.1116
Chlorogenic acid
Chlorogenic acid
ME593647
-
-
1.005
355.1024
Caffeic acid
Caffeic acid
ME593636
-
-
1.012
163.0404
4-Pyridoxic acid
4-Pyridoxic acid
ME593569
-
-
1.016
184.0621
N,N-Dimethyl-L-valine
-
ME593866
-
-
1.023
146.1188
Scopolin
Scopolin
ME593970
-
-
1.023
377.0843
.alpha.,.beta.-Thujone
-
ME593457
-
-
1.026
153.1286
5'-S-Methyl-5'-thioadenosine
5'-Methylthioadenosine
ME593579
-
-
1.027
298.0994
Nepetin 7-glucoside
-
ME593885
-
-
1.029
479.1224
Sinapoylmalate
-
ME593978
-
-
1.029
207.1397
Ferulic acid
trans-Ferulic acid
ME593718
-
-
1.042
195.0669
Asp-Leu
Asp-Leu
ME593618
-
-
1.045
247.1312
Acetyl coenzyme A
Acetyl-CoA
ME593592
-
-
1.046
303.14
.gamma.-Octalactone
-
ME593477
-
-
1.047
143.1079
Janerin
-
ME593784
-
-
1.062
261.1146
(-)-Gallocatechin
-
ME593439
-
-
1.068
307.0825
Ketogluconic acid methyl ester
-
ME593789
-
-
1.069
155.0351
Tyr-Val
Tyr-Val
ME594036
-
-
1.075
281.152
Glu-Phe
Glu-Phe
ME593740
-
-
1.083
295.1313
Benzeneacetic acid, .alpha.-amino-3,5-dihydroxy-, ...
-
ME593627
-
-
1.097
167.0353
Gallic acid
Gallic acid
ME593728
-
-
1.097_1.097
153.0196_171.0303
Dihydrorobinetin
-
ME593684
-
-
1.11
305.0682
4-Methyl-5-thiazoleethanol
5-(2-Hydroxyethyl)-4-methylthiazole
ME593565
-
-
1.119
144.049
Ethyl 4-hydroxyquinoline-2-carboxylate
-
ME593708
-
-
1.12
190.0515
Kynurenic acid
Kynurenic acid
ME593791
-
-
1.122
190.0514
Thiamine cation
Thiamine
ME594014
-
-
1.124_1.1451.099
265.1143_133.0659122.0723
Val-Met
Val-Met
ME594045
-
-
1.128
249.1292
4'-Methyl-N-methylhexanophenone
-
ME593566
-
-
1.131
189.129
Asn-Leu
Asn-Leu
ME593615
-
-
1.135
246.1471
Val-Tyr
Val-Tyr
ME594048
-
-
1.151
281.1521
Phe-Ala
Phe-Ala
ME593925
-
-
1.163
237.1255
Catechin
Catechin
ME593641
-
-
1.17
291.0888
Indole-3-butyric acid
3-Indolebutyric acid
ME593775
-
-
1.17
186.0929
Gly-Leu
Gly-Leu
ME593744
-
-
1.171
189.1291
Zerumbone
-
ME594050
-
-
1.171
147.118
Rutinose
-
ME593961
-
-
1.173
309.1207
Methyl vanillate
Methyl vanillate
ME593840
-
-
1.174
183.0668
Thr-Leu
Thr-Leu
ME594015
-
-
1.174
233.1517
Ethyl syringate
-
ME593710
-
-
1.194
227.0877
Gln-Leu
Gln-Leu
ME593737
-
-
1.2
260.1628
Simmondsin 2'-ferulate
-
ME593977
-
-
1.204
339.1104
4-Hydroxybenzaldehyde
4-Hydroxybenzaldehyde
ME593561
-
-
1.205
123.0451
N1-(3-Aminopropyl)-N1-methylpropane-1,3-diamine
-
ME593868
-
-
1.205_1.303
146.1664_129.1397
Homogentisic acid
Homogentisic acid
ME593756
-
-
1.208
169.051
Luteolin-7,3'-di-O-glucoside
-
ME593826
-
-
1.225
611.1666
Benzamide, N-[[(2-hydroxy-5-nitrophenyl)amino]thio...
-
ME593626
-
-
1.241
133.0659
Leu-Lys
Leu-Lys
ME593801
-
-
1.252
260.1993
4-Aminoantipyrine
-
ME593555
-
-
1.265
159.0931
L-Alanyl-L-norleucine
-
ME593794
-
-
1.289
203.1408
Galiellalactone
-
ME593727
-
-
1.307
195.1033
Glu-Leu
Glu-Leu
ME593739
-
-
1.307
261.1469
Petunidin 3-glucoside cation
-
ME593923
-
-
1.309
479.1224
trans-3,5-Dimethoxy-4-hydroxycinnamaldehyde
Sinapoyl aldehyde
ME594022
-
-
1.312_1.333
191.0719_209.0827
.alpha.-L-Glu-L-Asp
Glu-Asp
ME593462
-
-
1.317
263.0914
Galanthamine
-
ME593726
-
-
1.32
225.0929
Met-Val
Met-Val
ME593844
-
-
1.332
249.1289
6-Methoxymethylone
-
ME593580
-
-
1.336
190.0878
Indole-6-carboxaldehyde
-
ME593776
-
-
1.344
146.0613
Ile-Arg
Ile-Arg
ME593762
-
-
1.352
288.1945
Nilutamide
-
ME593887
-
-
1.354
318.0713
DL-Indole-3-lactic acid
Indolelactic acid
ME593694
-
-
1.363
170.0615
Ser-Phe
Ser-Phe
ME593975
-
-
1.365
253.1206
3-Methylindole
3-Methylindole
ME593549
-
-
1.37
132.0819
Asn-Phe
Asn-Phe
ME593616
-
-
1.374
280.1319
Linderane
Linderane
ME593806
-
-
1.402
225.093
L-Tryptophan
Tryptophan
ME593823
-
-
1.403_1.396
188.0722_205.0989
Leu-Val
Leu-Val
ME593803
-
-
1.405
231.1724
apigenin 6,8-digalactoside
-
ME593605
-
-
1.408
595.171
N-Ethyl-N-methylcathinone
-
ME593886
-
-
1.422
133.0659
(.+/-.)7-epi-Jasmonic acid
-
ME593443
-
-
1.423
211.1349
Dihydromyricetin
Dihydromyricetin
ME593683
-
-
1.431
321.0634
Methyl trans-cinnamate
-
ME593839
-
-
1.448
163.0767
Cyanidin-3-glucoside
-
ME593660
-
-
1.456
449.1117
Pelargonidin cation
-
ME593919
-
-
1.457
289.0731
Val-Gly-Val
Val-Gly-Val
ME594042
-
-
1.464
274.1785
Asp-Phe
Asp-Phe
ME593619
-
-
1.469
281.1157
Marein
-
ME593833
-
-
1.47
473.1095
4-Hydroxy-3-methoxyamphetamine
-
ME593559
-
-
1.472
182.1192
Gly-Phe
Gly-Phe
ME593745
-
-
1.472
223.1097
4H-1-Benzopyran-4-one, 2-(2-amino-3-methoxyphenyl)...
-
ME593558
-
-
1.475
121.0293
Icariin
-
ME593761
-
-
1.512
531.1882
2-Hydroxy-5-methoxybenzaldehyde
-
ME593518
-
-
1.523
153.056
Glu-Phe-Arg
Glu-Phe-Arg
ME593741
-
-
1.523
451.2337
Gln-Phe
Gln-Phe
ME593738
-
-
1.526
294.1475
O-Methyltyramine
-
ME593895
-
-
1.55
135.0816
3,4,2',4',6'-Pentahydroxychalcone
-
ME593527
-
-
1.588
289.0732
S-Bioallethrin
-
ME593967
-
-
1.607
135.0816
.beta.-Damascone
-
ME593467
-
-
1.621_0.635
137.0973_175.1497
Ala-Phe
Ala-Phe
ME593596
-
-
1.636
237.1256
Val-Ile
Val-Ile
ME594043
-
-
1.654
231.1724
Ile-Tyr
Ile-Tyr
ME593772
-
-
1.674
295.168
DL-Benzylsuccinic acid
-
ME593693
-
-
1.677
191.072
Cyanin cation
-
ME593662
-
-
1.696
449.1083
Myricetin
Myricetin
ME593864
-
-
1.715
319.0477
.beta.-Resorcylic acid
-
ME593468
-
-
1.736
155.0352
Syringaldehyde
SYRINGALDEHYDE
ME593995
-
-
1.74
183.0668
Notopterol
-
ME593890
-
-
1.746
187.1133
Anisatin
Anisatin
ME593604
-
-
1.761
293.1046
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethy...
-
ME593478
-
-
1.765
311.1153
trans-Cinnamic acid
trans-Cinnamic acid
ME594023
-
-
1.765
149.061
Peltatoside
-
ME593920
-
-
1.772
597.1504
Leu-Arg
Leu-Arg
ME593797
-
-
1.774
288.2058
Atractylenolide III
-
ME593621
-
-
1.775
213.1295
Glu-Trp
Glu-Trp
ME593743
-
-
1.791
334.1428
Spermidine
Spermidine
ME593983
-
-
1.796
146.1665
3-Hydroxy-4-methoxycinnamic acid
Isoferulic acid
ME593542
-
-
1.798
195.0669
Ferulic acid methyl ester
-
ME593719
-
-
1.798
177.0562
Ellagic acid
Ellagic acid
ME593700
-
-
1.8
303.0164
Naringenin
Naringenin
ME593876
-
-
1.822
273.0782
Trp-Ala
Trp-Ala
ME594032
-
-
1.823
276.129
Leu-Tyr
Leu-Tyr
ME593802
-
-
1.835
295.1677
(+)-Dihydrocervone
-
ME593447
-
-
1.84
153.1287
Allicin
Allicin
ME593599
-
-
1.842
163.026
(+)-2,5-epi-Goniothalesdiol
-
ME593444
-
-
1.849
249.1144
7,8-Dihydroxycoumarin
-
ME593587
-
-
1.856
179.0354
.alpha.-Ionone
alpha-Ionone
ME593461
-
-
1.877
175.1497
Apigenin 7-O-neohesperidoside
-
ME593607
-
-
1.877
579.1759
2-Amino-1-phenylbutane
-
ME593513
-
-
1.879
133.1024
Apigenin 7-glucoside
-
ME593606
-
-
1.879
865.2263
Loliolide
Loliolide
ME593813
-
-
1.886
197.119
Scopoletin
Scopoletin
ME593969
-
-
1.893
193.0513
.gamma.-Decalactone
-
ME593473
-
-
1.901
153.1287
3-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5R,6S)-3-[(2S,3R...
-
ME593538
-
-
1.907
743.2095
Malvidin 3,5-diglucoside cation
-
ME593832
-
-
1.913
331.0836
Petunidin cation
-
ME593924
-
-
1.918
317.0685
Rhoifolin
-
ME593957
-
-
1.925
579.176
Oenin
-
ME593892
-
-
1.932
493.1384
(2R,3R)-2,3-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2...
-
ME593452
-
-
1.938
492.1178
2-cis-4-trans-Abscisic acid
-
ME593515
-
-
1.94
265.157
Ramelteon
-
ME593956
-
-
1.942
187.1134
Chicoric acid
-
ME593646
-
-
1.947
497.0733
Imidacloprid
Imidacloprid
ME593774
-
-
1.965
256.062
(+)-Abscisic acid
Abscisic acid
ME593445
-
-
1.98_1.978
229.1245_247.1352
Val-Leu
Val-Leu
ME594044
-
-
1.985
231.1725
Procyanidin A2
-
ME593939
-
-
1.987
577.1396
Patulin
-
ME593902
-
-
1.996
155.0352
Neohesperidose
Neohesperidose
ME593884
-
-
2.004
309.1209
3-Isopropylphenyl N-methylcarbamate
m-Cumenyl methylcarbamate
ME593547
-
-
2.006
137.0973
N-Acetyltryptophan
N-Acetyl-tryptophan
ME593874
-
-
2.019
247.11
7,8-Dihydroxy-4-methylcoumarin
-
ME593586
-
-
2.035
193.0513
4-Ketopimelic acid
-
ME593563
-
-
2.04
129.0558
Ile-Met
Ile-Met
ME593768
-
-
2.046
263.1302
Tectoridin
-
ME594011
-
-
2.053
463.1276
8-Acetyl-7-hydroxycoumarin
-
ME593588
-
-
2.071
205.0514
Isoquercetrin
-
ME593782
-
-
2.12
465.1068
His-Leu
His-Leu
ME593754
-
-
2.125
269.1633
RUTOSIDE (rutin)
-
ME593962
-
-
2.13
633.1487
Hyperoside
-
ME593760
-
-
2.138
487.0889
Polygodial
-
ME593938
-
-
2.173
235.1714
Carbendazim
Carbendazim
ME593639
-
-
2.177
192.0785
Alantolactone
Alantolactone
ME593595
-
-
2.18
233.1557
Triethyl phosphate
Triethyl phosphate
ME594028
-
-
2.182
183.0797
Quercetin-3-Glucuronide
-
ME593953
-
-
2.187
479.0863
2-tert-Butyl-p-quinone
-
ME593524
-
-
2.188
137.0974
Isophorone
Isophorone
ME593780
-
-
2.193
139.113
Luteolin
Luteolin
ME593824
-
-
2.199
287.0576
N6-Isopentenyladenosine
N6-Isopentenyladenosine
ME593869
-
-
2.205
336.1698
(-)-Secoisolariciresinol
Secoisolariciresinol
ME593442
-
-
2.217
327.1621
Quercetin 3,4'-di-O-glucoside
-
ME593949
-
-
2.23
465.107
Ser-Trp
Ser-Trp
ME593976
-
-
2.238
292.1319
Chamissonolide
-
ME593645
-
-
2.239_2.254
265.1459_247.1352
Eriodictyol-7-O-glucoside
-
ME593703
-
-
2.254
451.1275
3,5,7,3',4'-Pentahydroxyflavanone
-
ME593533
-
-
2.257
305.0684
Solstitialin A
-
ME593981
-
-
2.271
263.1305
3-(2-Hydroxyethyl)indole
Tryptophanol
ME593525
-
-
2.277
162.0927
Aminocarb
-
ME593602
-
-
2.312
152.1084
Guaiaverin
-
ME593747
-
-
2.338
457.0779
3,4-Dihydroxymandelic acid
3,4-Dihydroxymandelic acid
ME593530
-
-
2.363
167.0355
Acetamiprid
-
ME593591
-
-
2.368
223.0764
Cyclohexanecarboxylic acid, 1-phenyl-, 2-(4-morpho...
-
ME593663
-
-
2.373
318.2054
Tyr-Leu
Tyr-Leu
ME594034
-
-
2.377
295.1681
Phe-Val
Phe-Val
ME593932
-
-
2.38
265.1573
Austricine
-
ME593622
-
-
2.387
263.1303
Coniferylaldehyde
Coniferyl aldehyde
ME593654
-
-
2.391_2.359
161.0611_179.0718
(-)-Carveol
-
ME593435
-
-
2.412
135.118
Suberic acid
Suberic acid
ME593991
-
-
2.42
139.0766
5-(Galactosylhydroxy)-L-lysine
5-(Galactosylhydroxy)-lysine
ME593572
-
-
2.446
325.1652
.gamma.-Glu-Cys
gamma-Glutamylcysteine
ME593474
-
-
2.449
251.072
Acetyleugenol
-
ME593593
-
-
2.45
165.0924
Cyanidin 3-rutinoside cation
-
ME593658
-
-
2.469
595.1711
Naringin dihydrochalcone
-
ME593879
-
-
2.484
437.1479
Quercetin 3-O-malonylglucoside
Quercetin 3-O-malonylglucoside
ME593952
-
-
2.485
551.1082
Peonidin-3-O-alpha-arabinopyranoside
-
ME593922
-
-
2.486
433.1169
Glabridin
-
ME593732
-
-
2.487
189.0927
3-Indoleacetic acid
Indoleacetic acid
ME593546
-
-
2.51
176.0722
.alpha.-Dimethylaminopentiophenone
-
ME593460
-
-
2.51
161.0976
Entacapone
Entacapone
ME593701
-
-
2.513
306.1126
Thr-Trp
Thr-Trp
ME594016
-
-
2.515
306.1478
4'-O-.beta.-D-Glucosyl-5-O-methylvisamminol
-
ME593567
-
-
2.534
453.1772
4',6'-Dimethoxy-2'-hydroxyacetophenone
-
ME593553
-
-
2.539
197.0826
NCGC00380819-01_C16H22O9_
-
ME593882
-
-
2.542
381.1189
Ala-Trp
Ala-Trp
ME593597
-
-
2.555
276.137
Met-Leu
Met-Leu
ME593842
-
-
2.568
263.145
Astragalin
-
ME593620
-
-
2.57
449.1121
Luteolin 7-glucoside
-
ME593825
-
-
2.57
471.0939
2,3-Dimethoxy-5-methylbenzoquinone
-
ME593508
-
-
2.583
137.061
2-Methoxy-5-nitrophenol
-
ME593520
-
-
2.583
124.053
5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-[3,4...
-
ME593574
-
-
2.601
625.182
Euparin
-
ME593713
-
-
2.624
175.077
Quercitrin
Quercitrin
ME593954
-
-
2.625
449.1117
1,5-Dicaffeoylquinic acid
-
ME593482
-
-
2.643
499.128
Quercetin 3'-methyl ether
-
ME593950
-
-
2.645
317.0684
3',5'-Dimethoxy-3,5,7,4'-tetrahydroxyflavone
-
ME593534
-
-
2.686
347.0794
Val-Phe
Val-Phe
ME594046
-
-
2.693
265.1572
Tryptamine
Tryptamine
ME594033
-
-
2.701_2.7
144.0821_161.1088
His-Phe
His-Phe
ME593755
-
-
2.756
303.1481
Lys-Ile
Lys-Ile
ME593827
-
-
2.762
260.1994
Bisabolol oxide A
-
ME593632
-
-
2.763
221.1919
Quercetin 3-O-.beta.-D-glucose-6'-acetate
-
ME593951
-
-
2.764
507.1179
Culmorin
-
ME593657
-
-
2.771
239.2027
(E)-3-(4-hydroxy-3-methoxyphenyl)-N-[2-(4-hydroxyp...
-
ME593455
-
-
2.777
314.1416
Hydroxyvalerenic acid
-
ME593758
-
-
2.779
233.1558
Isopentenyladenine
N6-Isopentenyladenine
ME593779
-
-
2.782
204.1264
Leu-Leu
Leu-Leu
ME593800
-
-
2.789
245.1883
Rosmarinic acid
Rosmarinic acid
ME593959
-
-
2.813_2.832
343.0844_383.0772
Syringetin 3-glucoside
-
ME593997
-
-
2.821
509.1338
5-Methoxytryptamine
5-Methoxytryptamine
ME593577
-
-
2.839
174.0929
Phe-Met
Phe-Met
ME593928
-
-
2.843
297.1296
3-O-Methylgallic acid
-
ME593550
-
-
2.861
167.0354
2,3,4',5-Tetrahydroxystilbene 2-glucoside
-
ME593507
-
-
2.873
429.1197
Mianserin N-oxide
-
ME593858
-
-
2.874
281.1636
Lithospermic acid
-
ME593812
-
-
2.904_2.9232.902
556.1503_341.0688521.1126
1-(4-Ethoxycarbonylphenyl)-2-(4-fluorobenzylthio)-...
-
ME593479
-
-
2.908
521.1679
Aprepitant .beta.-glucuronide
-
ME593608
-
-
2.96
277.1074
Avicularin
-
ME593623
-
-
2.96
457.0752
(-)-Homoeriodictyol
-
ME593441
-
-
2.967
177.0562
Ile-Ile
Ile-Ile
ME593765
-
-
2.994
245.1883
Thr-Val-Leu
Thr-Val-Leu
ME594017
-
-
3.007
332.2211
2,4,7,9-Tetramethyl-5-decyne-4,7-diol
-
ME593510
-
-
3.009
135.118
Tyr-Phe
Tyr-Phe
ME594035
-
-
3.01
329.1526
3,4-Dihydroxy-L-phenylalanine
DOPA
ME593529
-
-
3.019
181.051
1_trans-Resveratrol-d4 iSTD_[M+H]+_LUKBXSAWLPMMSZ-...
-
ME593494
-
-
3.031
233.1193
Kaempferitrin
Kaempferitrin
ME593787
-
-
3.048
433.1168
Cyanidin cation
-
ME593659
-
-
3.05
287.0576
Baicalin
Baicalin
ME593625
-
-
3.054
447.0962
Abscisic acid
Abscisic acid
ME593590
-
-
3.059
265.1461
Naringenin-7-O-glucoside
Naringenin-7-O-glucoside
ME593878
-
-
3.069
435.1299
Met-Phe
Met-Phe
ME593843
-
-
3.139
297.1297
Ile-Leu
Ile-Leu
ME593767
-
-
3.14
245.1884
(+)-Pinoresinol
Pinoresinol
ME593449
-
-
3.142
341.1415
Sweroside
-
ME593994
-
-
3.151
359.137
Ile-Ile-Lys
Ile-Ile-Lys
ME593766
-
-
3.162
373.2846
2-Hydroxy-3-methoxybenzyl alcohol
-
ME593517
-
-
3.164
137.061
Lys-Leu
Lys-Leu
ME593828
-
-
3.182
260.1994
Val-Trp
Val-Trp
ME594047
-
-
3.204
304.1685
Phe-Glu-Arg
Phe-Glu-Arg
ME593926
-
-
3.224_3.245
226.1209_451.2343
Ethyl gallate
-
ME593709
-
-
3.241
181.0511
2-Methylbutyryl-L-carnitine
CAR 4:0;2Me
ME593521
-
-
3.244
246.1724
6-Methylcoumarin
-
ME593582
-
-
3.254
161.0611
N-Caffeoyl-O-methyltyramine
-
ME593881
-
-
3.262
163.0404
Phlorizin
Phlorizin
ME593934
-
-
3.272_3.276
459.1304_437.1483
Phloretin
Phloretin
ME593933
-
-
3.275
275.094
4-Demethylsimmondsin 2'-ferulate
-
ME593556
-
-
3.295
339.1106
Ile-Gly-Ile
Ile-Gly-Ile
ME593764
-
-
3.295
302.2104
trans-Ferulic acid
trans-Ferulic acid
ME594024
-
-
3.299
177.0562
7,8-Diallyloxy-4-methylcoumarin
-
ME593584
-
-
3.31
273.1146
Salvianolic acid B
-
ME593964
-
-
3.323
736.1939
(-)-Catechin gallate
-
ME593437
-
-
3.327
273.0784
Isoorientin
-
ME593778
-
-
3.327
431.1013
Aleuritic acid
-
ME593598
-
-
3.36_3.362_3.345
251.2028_305.235_287.2243
3,4-Methylenedioxy-.alpha.-pyrrolidinobutyrophenon...
-
ME593532
-
-
3.371
161.0612
Leucylleucyltyrosine
Leu-Leu-Tyr
ME593798
-
-
3.41
408.253
Azelaic acid
Azelaic acid
ME593624
-
-
3.412
153.0924
Ile-Phe
Ile-Phe
ME593769
-
-
3.441
279.173
Leu-Gly-Leu
Leu-Gly-Leu
ME593799
-
-
3.493
302.2104
Peimine
Peimine
ME593918
-
-
3.504
432.351
Ursolic acid methyl ester
-
ME594038
-
-
3.509
203.1814
Lactose
Lactose
ME593793
-
-
3.51
325.1157
N-[(3s,5s,7s)-Adamantan-1-yl]-1-(4-fluorobenzyl)-1...
-
ME593867
-
-
3.512
135.118
Jasmonic acid
Jasmonic acid
ME593786
-
-
3.527
211.1351
.delta.-Octalactone
-
ME593472
-
-
3.528
143.108
Lys-Phe
Lys-Phe
ME593829
-
-
3.533
294.1841
Arg-Leu
Arg-Leu
ME593612
-
-
3.543
288.2057
Methysticin
-
ME593841
-
-
3.619
257.0832
3,4-Dihydroxycinnamic acid (L-alanine methyl ester...
-
ME593528
-
-
3.626
163.0404
Timosaponin B II
-
ME594021
-
-
3.637
579.395
Timosaponin A-III
-
ME594020
-
-
3.642
741.4492
3,5-Dimethoxycinnamic acid
-
ME593536
-
-
3.644
191.0721
Naringenin 4',7-dimethylether
-
ME593877
-
-
3.666
161.0613
Theaflavin
Theaflavin
ME594013
-
-
3.678
565.1396
Mesterolone
Mesterolone
ME593836
-
-
3.722
305.2504
2.alpha.-Methyl-5.alpha.-androstan-3.alpha.-ol-17-...
-
ME593512
-
-
3.727
287.2396
Phe-Leu
Phe-Leu
ME593927
-
-
3.848
279.1731
Tiliroside
-
ME594019
-
-
3.851
595.1504
Rotenone
Rotenone
ME593960
-
-
3.856
241.0882
LPC 22:6
LPC 22:6
ME593822
-
-
3.86
568.33
11-Ketofusidic acid
-
ME593495
-
-
3.87
437.309
.alpha.-Santonin
alpha-Santonin
ME593465
-
-
3.87
173.0977
Fraxinellone
-
ME593723
-
-
3.87
233.1194
beta-D-Glucopyranose, 1-O-[(2alpha,3beta,5xi,9xi)-...
-
ME593630
-
-
3.873
703.3731
Nandrolone
Nandrolone
ME593875
-
-
3.883
275.2032
Ile-Trp
Ile-Trp
ME593771
-
-
3.9
318.1843
Ile-Pro-Ile
Ile-Pro-Ile
ME593770
-
-
3.904
342.242
Arg-Phe
Arg-Phe
ME593613
-
-
3.948
322.1903
4-Methoxycinnamic acid
4-Methoxycinnamic acid
ME593564
-
-
3.949
161.0612
Ergothioneine
Ergothioneine
ME593702
-
-
3.969
230.0981
.alpha.-Cyperone
-
ME593459
-
-
3.97
201.1656
3-(Hydroxymethyl)-6,7-dimethylquinolin-2-ol
-
ME593526
-
-
3.999
186.0931
Corey PG-lactone diol
-
ME593655
-
-
4.023
233.1559
Koninginin A
-
ME593790
-
-
4.053
285.2088
Dimethyl sebacate
-
ME593687
-
-
4.056
139.113
Tris(2-chloroethyl) phosphate
-
ME594030
-
-
4.063
284.964
Carbobenzyloxyglycylglycyl-L-norleucine
-
ME593640
-
-
4.081
336.1948
7,2'-Dimethoxyflavone
-
ME593583
-
-
4.143
283.0992
(+)-Isomenthone
-
ME593448
-
-
4.177
137.1338
5-Hexenoic acid, 6-[(2R,3S)-3-[[[(4-chloro-2-methy...
-
ME593575
-
-
4.191
235.1714
Phenol, 5-(1,1-dimethyloctyl)-2-[(1S,3S)-3-hydroxy...
-
ME593929
-
-
4.194
247.2081
Cedrol
-
ME593643
-
-
4.197
149.1338
17.alpha.-Nandrolone
-
ME593500
-
-
4.198
257.1923
Genipin
Genipin
ME593730
-
-
4.228
209.0828
trans-Traumatic acid
Traumatic acid
ME594025
-
-
4.257
165.1289
Dodeca-2(E),4(E)-dienoic acid
2E,4E-Dodecadienoic acid
ME593696
-
-
4.261
161.1339
2-(2-Hydroxy-5-methylphenyl)benzotriazole
-
ME593506
-
-
4.279
226.0996
Valerenic acid
-
ME594041
-
-
4.29
235.1714
4-Hydroxybenzoic acid propyl ester
-
ME593562
-
-
4.294
139.0403
Carbamic acid, N-(2,2-diphenylacetyl)-, ethyl este...
-
ME593638
-
-
4.3
167.0871
Demecolcine
-
ME593672
-
-
4.306
372.1842
Asiatic acid
Asiatic acid
ME593614
-
-
4.307_4.308
453.3404_489.362
cis-11-Eicosenoic acid
cis-Gondoic acid
ME593650
-
-
4.317
293.2868
Huperzine B
-
ME593757
-
-
4.34
257.1673
Phe-Phe
Phe-Phe
ME593931
-
-
4.344
313.1576
1-O-[(2alpha,3beta,5xi,9xi,18xi)-2,3,23-Trihydroxy...
-
ME593505
-
-
4.414
673.3984
Parthenolide
-
ME593901
-
-
4.421
249.1511
Metalaxyl
Metalaxyl
ME593837
-
-
4.46
280.1663
cis-11,14-Eicosadienoic acid
11Z,14Z-Eicosadienoic acid
ME593649
-
-
4.498
291.271
Gossypetin 3,3',8-trimethylether
-
ME593746
-
-
4.59
361.0952
17-Phenyltrinorprostaglandin E2
-
ME593501
-
-
4.606
369.2072
Sedanolide
-
ME593972
-
-
4.606
149.1339
5-(2-Aminopropyl)-2,3-dihydro-1H-indene
-
ME593571
-
-
4.61
159.1183
5-hydroxyculmorin
5-Hydroxyculmorin
ME593576
-
-
4.635
219.1764
Nootkatone
-
ME593889
-
-
4.641
201.1657
Syringetin 3-galactoside
-
ME593996
-
-
4.69
347.0795
Palmitic acid alkyne
-
ME593898
-
-
4.692
253.2187
15-Ketoprostaglandin E2
15-Keto-PGE2
ME593498
-
-
4.708
351.2175
Tricin
Tricin
ME594027
-
-
4.716
331.0845
Triptophenolide
-
ME594029
-
-
4.763
313.1829
6-Methylchromone-2-carboxylic acid
-
ME593581
-
-
4.793
205.0514
Ile-Val-Arg
Ile-Val-Arg
ME593773
-
-
4.912
387.275
Pyrimethanil
-
ME593947
-
-
4.92
200.1201
3,4-Dihydroxymethamphetamine
-
ME593531
-
-
5
151.0768
Dopamine 4-.beta.-D-glucuronide
-
ME593697
-
-
5.005
137.061
Sebacic acid monomethyl ester
-
ME593971
-
-
5.055
139.113
.delta.-Nonalactone
-
ME593471
-
-
5.064
157.1238
Sterigmatocystin
Sterigmatocystin
ME593990
-
-
5.132
325.0737
13-cis-Retinal
-
ME593496
-
-
5.156
285.2242
(-)-Caryophyllene oxide
Caryophyllene alpha-oxide
ME593436
-
-
5.196_5.2
221.1921_203.1814
(1S)-(+)-Camphorquinone
-
ME593450
-
-
5.216
139.1131
Brefeldin A
Brefeldin A
ME593635
-
-
5.227
263.1668
2-Heptyl-4-hydroxyquinoline N-oxide
-
ME593516
-
-
5.243
242.1563
9-Phenanthrol
9-Phenanthrol
ME593589
-
-
5.251
195.0823
cirsimaritin
-
ME593648
-
-
5.295
315.0894
Kahweol
-
ME593788
-
-
5.303
315.1986
Methyl jasmonate
Methyl jasmonate
ME593838
-
-
5.306
225.1506
4-Pregnen-11,17,20,21-tetrol-3-one
-
ME593568
-
-
5.352
365.2333
5,3'-Dihydroxy-6,7,4'-trimethoxyflavone
-
ME593573
-
-
5.356
345.1002
Escaline
-
ME593706
-
-
5.358
181.0875
2,3-Dinor-8-isoprostaglandin-F2.alpha.
2,3-Dinor-8-iso-PGF2alpha
ME593509
-
-
5.359
309.209
4-tert-Butylbenzylamine
-
ME593570
-
-
5.385
147.1182
Pro-Gln
Pro-Gln
ME593941
-
-
5.387
244.1315
Oxyresveratrol
-
ME593896
-
-
5.426
209.0618
.alpha.-Bisabolol
alpha-Bisabolol
ME593458
-
-
5.449
205.1971
Dinor-12-oxophytodienoic acid
-
ME593689
-
-
5.454
265.1825
Isopimaric acid
Isopimaric acid
ME593781
-
-
5.457
303.2348
Diosgenin
Diosgenin
ME593691
-
-
5.458
415.3247
Dimethomorph
-
ME593686
-
-
5.472
388.1347
2,6-Di-tert-butyl-4-hydroxymethylphenol
-
ME593511
-
-
5.485
219.1764
skullcapflavone II
-
ME593980
-
-
5.508
375.111
3-Hydroxycapric acid
10-Hydroxydecanoic acid
ME593545
-
-
5.516
171.1396
.delta.-Decalactone
-
ME593470
-
-
5.537_5.526
135.1181_153.1288
Hymeglusin
-
ME593759
-
-
5.554_5.558
289.1826_307.1933
(2E)-3-(4-Chlorophenyl)-3-(3,4-dimethoxyphenyl)-1-...
-
ME593451
-
-
5.559
388.1346
15-Ketoprostaglandin A1
-
ME593497
-
-
5.561
335.2224
Stearidonic acid methyl ester
-
ME593989
-
-
5.565
259.2081
4',5-Dihydroxy-7-methoxyflavanone
-
ME593552
-
-
5.57
287.0942
Madecassic acid
-
ME593830
-
-
5.58_5.59
469.3359_451.3253
Etonogestrel
-
ME593712
-
-
5.587
257.1925
Isosilybin A
-
ME593783
-
-
5.588
311.058
Jasmine lactone
-
ME593785
-
-
5.61
151.1132
Tri(3-chloropropyl) phosphate
-
ME594026
-
-
5.613_5.618
251.0026_327.0112
Tris(2-chloropropyl) phosphate
-
ME594031
-
-
5.619
329.0166
2-Propenoic acid, 3-(2,4-dimethoxyphenyl)-, (E)-
-
ME593523
-
-
5.62
191.0721
Farnesal
-
ME593715
-
-
5.621
203.1814
Tetrahydrocannabivarin
-
ME594012
-
-
5.627
231.1402
Fenamidone
-
ME593717
-
-
5.628
312.1195
Echinocystic acid
-
ME593698
-
-
5.651
427.3612
santin
-
ME593965
-
-
5.659
345.1003
4,4'-Dimethoxystilbene
-
ME593551
-
-
5.673
225.0931
Sarsasapogenin
-
ME593966
-
-
5.674
417.3402
Myristoleic acid
Myristoleic acid
ME593865
-
-
5.696_5.695
209.192_227.2027
Boscalid
-
ME593633
-
-
5.704_5.71
343.0429_345.0397
3-Methoxydiphenylamine
-
ME593548
-
-
5.709
200.1089
Sclareolide
-
ME593968
-
-
5.71
191.1812
Betulinic acid
Betulinic acid
ME593631
-
-
5.723
457.3718
LPC 15:1
LPC 15:1
ME593814
-
-
5.748
480.3131
Monopalmitolein (9c)
-
ME593862
-
-
5.771
311.2609
LPC 18:3
LPC 18:3
ME593818
-
-
5.781
518.329
3-Hydroxy-6,3',4'-trimethoxyflavone
-
ME593544
-
-
5.782
329.105
LPC 16:1
LPC 16:1
ME593815
-
-
5.809
494.3287
1,4a-dimethyl-9-oxo-7-propan-2-yl-3,4,10,10a-tetra...
-
ME593481
-
-
5.83
315.1983
Fluxapyroxad
-
ME593722
-
-
5.831
382.1009
Malathion
Malathion
ME593831
-
-
5.832_5.833
353.0288_331.0466
Pygenic acid C
-
ME593944
-
-
5.841
451.325
Monolinolenin (9c,12c,15c)
-
ME593861
-
-
5.852
353.2718
.gamma.-Linolenoyl ethanolamide
-
ME593476
-
-
5.856
261.2238
Oleanolic acid methyl ester
-
ME593894
-
-
5.857
411.3662
Farrerol
Farrerol
ME593716
-
-
5.861
301.1099
LPC 18:2
LPC 18:2
ME593817
-
-
5.864
520.3446
3'-Hydroxy-5,6,7,4'-tetramethoxyflavone
-
ME593543
-
-
5.867
359.1157
Fluopyram
-
ME593721
-
-
5.886
397.0575
18.alpha.-Glycyrrhetinic acid
-
ME593502
-
-
5.888
471.3445
Palmitelaidic acid
Palmitelaidic acid
ME593897
-
-
5.898
255.2344
Germacrone
-
ME593731
-
-
5.9
219.1764
Corosolic acid
-
ME593656
-
-
5.904_5.913
437.3455_455.3561
Hederagenin
-
ME593748
-
-
5.915
409.3502
Sumaresinolic acid
-
ME593993
-
-
5.918
473.367
all-trans-Retinoic acid methyl ester
-
ME593601
-
-
5.93
283.2083
LPC 20:3
LPC 20:3
ME593821
-
-
5.933
546.3603
Irisflorentin
-
ME593777
-
-
5.944
409.0957
LPC 18:1
LPC 18:1
ME593816
-
-
5.955
522.3604
cis-5-Dodecenoic acid
5-Dodecenoic acid
ME593651
-
-
5.957
181.1603
4',7-Dimethoxy-3-hydroxyflavone
-
ME593554
-
-
5.966
299.0944
Medroxyprogesterone
Medroxyprogesterone
ME593834
-
-
5.969
327.2348
.alpha.-Linolenoyl ethanolamide
alpha-Linolenoyl-EA
ME593463
-
-
5.98
322.2772
16,16-Dimethylprostaglandin A2
-
ME593499
-
-
5.985
309.2242
Penthiopyrad
-
ME593921
-
-
5.993
360.1387
Piperazine, 1-cyclohexyl-4-(1,2-diphenylethyl)-
-
ME593937
-
-
5.994
181.1028
Tilidine
-
ME594018
-
-
5.994
155.0869
Solstitialin A 13-acetate
-
ME593982
-
-
5.994_5.997
199.1135_227.1087
Cantharidin
-
ME593637
-
-
6.005
179.0719
LPC 20:2
LPC 20:2
ME593820
-
-
6.011
548.3763
Pyraclostrobin b
-
ME593946
-
-
6.022
410.0915
Pyraclostrobin a
-
ME593945
-
-
6.024
388.1094
Euphorbiasteroid
-
ME593714
-
-
6.05
315.1984
Linoleoyl ethanolamide
Linoleoyl-EA
ME593811
-
-
6.069
324.2929
Monoisobutyl phthalate
Monoisobutyl phthalate
ME593860
-
-
6.099
223.0985
DL-4-Hydroxy-3-methoxymandelic acid
-
ME593692
-
-
6.1
149.0247
LPC 20:1
LPC 20:1
ME593819
-
-
6.106
550.3922
Caulophyllogenin
-
ME593642
-
-
6.116_6.139
471.3515_425.3455
Androstane-3,17-diol
3alpha-Androstanediol
ME593603
-
-
6.124
293.2505
Arachidonoyl-2'-fluoroethylamide
-
ME593609
-
-
6.148
287.2398
Stearidonic acid ethyl ester
-
ME593988
-
-
6.162
305.2505
Linoleic acid methyl ester
-
ME593810
-
-
6.165
263.2395
Linoelaidic acid
Linoelaidic acid
ME593807
-
-
6.166
245.2287
2-Linoleoylglycerol
MG 18:2
ME593519
-
-
6.176
337.2768
Ursolic acid
Ursolic acid
ME594037
-
-
6.185_6.186
457.372_439.3612
N-Palmitoyl-D-sphingosine
-
ME593891
-
-
6.205
256.266
PC 40:10
PC 40:10
ME593911
-
-
6.219
826.5311
Muscone
-
ME593863
-
-
6.238
239.2392
Oleamide
Oleamide
ME593893
-
-
6.255
282.2818
N-Oleoylglycine
N-Oleoyl glycine
ME593888
-
-
6.259
265.2552
Alloxanthin
Oxypurinol
ME593600
-
-
6.261
565.4094
Uvaol
-
ME594040
-
-
6.263
443.3923
7,8-Dihydro-.alpha.-ionone
-
ME593585
-
-
6.267
177.1654
Monoelaidin
-
ME593859
-
-
6.276
357.3032
Brassicasterol
Brassicasterol
ME593634
-
-
6.281
381.3552
Erythrodiol
-
ME593705
-
-
6.29
407.3709
Linoleic acid
Linoleic acid
ME593808
-
-
6.312
281.2502
Usnic acid
-
ME594039
-
-
6.33
345.1001
N-Acetyl-S-geranylgeranyl-L-cysteine
-
ME593873
-
-
6.334
273.2603
PC 40:11e
PC O-40:11
ME593913
-
-
6.342
810.5357
Fucosterol
Isofucosterol
ME593725
-
-
6.348
395.371
.beta.-Sitosterol
Sitosterol
ME593469
-
-
6.391
397.3847
Protopanaxadiol
-
ME593943
-
-
6.405
443.3926
PC 38:7e
PC O-38:7
ME593909
-
-
6.416
790.5671
Pheophorbide a
Pheophorbide a
ME593930
-
-
6.424
593.2813
HexCer-NS d32:3
HexCer 32:3;O2
ME593751
-
-
6.442
668.5159
PC 40:10e
PC O-40:10
ME593912
-
-
6.502
812.5519
Erucamide
13Z-Docosenamide
ME593704
-
-
6.503
338.3432
DGDG 36:6
DGDG 36:6
ME593681
-
-
6.513
954.6245
PC 38:8e
PC O-38:8
ME593910
-
-
6.522
788.5513
DGDG 34:4
DGDG 34:4
ME593676
-
-
6.566
930.6242
HexCer-NS d34:3
HexCer 34:3;O2
ME593753
-
-
6.579
696.5474
MGDG 34:6
MGDG 34:6
ME593849
-
-
6.593
764.5366
3-Dehydroretinol
All-trans-3,4-didehydro retinol
ME593541
-
-
6.596
267.2133
DGDG 36:5
DGDG 36:5
ME593680
-
-
6.596
956.64
PE 32:3
PE 32:3
ME593914
-
-
6.622
686.4818
HexCer-NS d34:2
HexCer 34:2;O2
ME593752
-
-
6.628
698.5628
Linoleic acid ethyl ester
-
ME593809
-
-
6.636
309.2819
DGDG 34:3
DGDG 34:3
ME593675
-
-
6.661
932.6396
MGDG 34:5
MGDG 34:5
ME593848
-
-
6.661
766.5537
Friedelin
Friedelin
ME593724
-
-
6.675
427.3973
DGDG 36:4
DGDG 36:4
ME593679
-
-
6.681
958.6559
PE 36:5
PE 36:5
ME593917
-
-
6.687
738.5134
Dilinolenin (9c,12c,15c)
-
ME593685
-
-
6.694
613.4887
MGDG 36:6
MGDG 36:6
ME593854
-
-
6.694
792.5697
Palmitoyleicosapentaenoyl phosphatidylcholine
-
ME593899
-
-
6.701
780.5578
DGDG 34:2
DGDG 34:2
ME593674
-
-
6.747
934.6555
MGDG 34:4
MGDG 34:4
ME593847
-
-
6.748
768.5697
GlcADG 36:5
DGGA 36:5
ME593735
-
-
6.749
808.5651
PC 34:4
PC 34:4
ME593905
-
-
6.754
754.5453
MGDG 36:5
MGDG 36:5
ME593853
-
-
6.767
794.5852
DGDG 36:3
DGDG 36:3
ME593678
-
-
6.785
960.6716
MGDG 38:6
MGDG 38:6
ME593857
-
-
6.799
820.6017
MGDG 37:5
MGDG 37:5
ME593856
-
-
6.806
808.6016
GlcADG 34:3
DGGA 34:3
ME593734
-
-
6.811
784.5648
MGDG 34:3
MGDG 34:3
ME593846
-
-
6.841
770.5851
MGDG 36:4
MGDG 36:4
ME593852
-
-
6.848
796.6008
1,2-Dilinoleoylglycerol
-
ME593480
-
-
6.851
617.5198
.beta.-Amyrin acetate
-
ME593466
-
-
6.863
409.3869
MGDG 37:4
MGDG 37:4
ME593855
-
-
6.873
810.6173
DGDG 36:2
DGDG 36:2
ME593677
-
-
6.877
962.6877
MGDG 35:3
MGDG 35:3
ME593850
-
-
6.88
784.6013
GlcADG 34:2
DGGA 34:2
ME593733
-
-
6.882
786.5804
PC 32:2
PC 32:2
ME593903
-
-
6.899
730.5456
ARGININE
Arginine
ME593611
-
-
6.904
175.1207
MGDG 34:2
MGDG 34:2
ME593845
-
-
6.911
772.601
DAG 36:6
DG 36:6
ME593670
-
-
6.915
630.5155
MGDG 36:3
MGDG 36:3
ME593851
-
-
6.929
798.617
PE 36:3
PE 36:3
ME593916
-
-
6.935
742.545
DAG 36:5
DG 36:5
ME593669
-
-
6.974
632.5312
DAG 34:3
DG 34:3
ME593666
-
-
7.031
608.5307
DAG 36:4
DG 36:4
ME593668
-
-
7.031
634.5469
cis-Jasmone
cis-Jasmone
ME593652
-
-
7.048
165.129
DAG 34:2
DG 34:2
ME593665
-
-
7.083
610.5462
DAG 36:3
DG 36:3
ME593667
-
-
7.094
636.5626
4-Ethylmethcathinone
-
ME593557
-
-
7.218
174.1295
dioctylamine
Dioctylamine
ME593690
-
-
7.285
242.2866
TAG 52:4
TG 52:4
ME594001
-
-
7.325_7.383
877.7349_872.779
TAG 54:9
TG 54:9
ME594010
-
-
7.384_7.383
890.7322_895.6881
TAG 54:5
TG 54:5
ME594006
-
-
7.392_7.402
898.7949_903.7507
N-Benzyl-.alpha.-methylbenzylamine
-
ME593880
-
-
7.469
212.1454
TAG 54:8
TG 54:8
ME594009
-
-
7.523_7.528
897.7035_892.7481
Palmitoylserinol
-
ME593900
-
-
7.649
330.3034
TAG 52:6
TG 52:6
ME594003
-
-
7.686
868.7479
TAG 54:7
TG 54:7
ME594008
-
-
7.704_7.707
894.7639_899.7191
TAG 53:6
TG 53:6
ME594004
-
-
7.796
882.7642
TAG 51:5
TG 51:5
ME593999
-
-
7.804
856.7484
TAG 54:6
TG 54:6
ME594007
-
-
7.805_7.948
896.7795_896.779
1-Hexadecylpyridinium cation
-
ME593504
-
-
7.881
304.3016
Benzyldimethyltetradecylammonium cation
-
ME593629
-
-
7.881
332.333
Dimethyldioctadecylammonium cation
-
ME593688
-
-
7.912
550.6317
TAG 50:2
TG 50:2
ME593998
-
-
7.924
848.7792
TAG 52:3
TG 52:3
ME594000
-
-
7.942_7.948
874.7946_879.75
TAG 52:5
TG 52:5
ME594002
-
-
7.951
870.7632
TAG 54:4
TG 54:4
ME594005
-
-
8.018
900.8101
DGTS 34:2
DGTS 34:2
ME593682
-
-
8.103
736.6157
Phytosphingosine
Phytosphingosine
ME593936
-
-
8.108
318.3034
Benzyldimethylstearylammonium cation
-
ME593628
-
-
8.131
388.3975
D-erythro-Sphinganine
Sphinganine
ME593673
-
-
8.147
302.3083
SQDG 36:6
SQDG 36:6
ME593987
-
-
8.167
856.5331
PC 36:4
PC 36:4
ME593907
-
-
8.177
782.5771
SQDG 34:3
SQDG 34:3
ME593985
-
-
8.184
834.5483
PC 34:3
PC 34:3
ME593904
-
-
8.187
756.5616
PC 35:3
PC 35:3
ME593906
-
-
8.194
770.5771
D-Asparagine
D-Asparagine
ME593671
-
-
8.195
133.0621
PE 36:2_1-Stearoyl-2-linoleoyl-sn-glycero-3-phosph...
-
ME593915
-
-
8.197
744.5612
SQDG 36:3
SQDG 36:3
ME593986
-
-
8.197
862.5795
Pyroglutamic acid
Pyroglutamic acid
ME593948
-
-
8.198
130.0512
SQDG 32:0
SQDG 32:0
ME593984
-
-
8.213
812.5635
PC 38:2
PC 38:2
ME593908
-
-
8.268
814.6401
Glutamic acid
Glutamic acid
ME593742
-
-
8.423
148.0618
Phytic acid
Myo-inositol hexakisphosphate
ME593935
-
-
8.498_8.527
682.8571_660.8753
1_2-hydroxyfluorene-d9 iSTD_[M+H]+_ZDOIAPGLORMKTR-...
-
ME593484
-
-
ESI (+)
[M+H]+
1_Apigenin-d5 iSTD_[M+H]+_KZNIFHPLKGYRTM-DKFMXDSJS...
-
ME593485
-
-
ESI (+)
[M+H]+
1_Caffeine-d10 iSTD_[M+H]+_RYYVLZVUVIJVGH-GQALSZNT...
-
ME593486
-
-
ESI (+)
[M+H]+
1_CUDA iSTD_[M+H]+_HPTJABJPZMULFH-UHFFFAOYSA-N
-
ME593487
-
-
ESI (+)
[M+H]+
1_Daidzein-d4 iSTD_[M+H]+_ZQSIJRDFPHDXIC-RHQRLBAQS...
-
ME593488
-
-
ESI (+)
[M+H]+
1_(-)-Epigallocatechin Gallate-d3/d4 iSTD_[M+H]+_W...
-
ME593483
-
-
ESI (+)
[M+H]+
1_Genistein-d4 iSTD_[M+H]+_TZBJGXHYKVUXJN-RHQRLBAQ...
-
ME593489
-
-
ESI (+)
[M+H]+
1_Quercetin-d3 iSTD_[M+H]+_REFJWTPEDVJJIY-CBYSEHNB...
-
ME593491
-
-
ESI (+)
[M+H]+
1_Reserpine-d9 iSTD_[M+H]+_XXHYYWZRWQIEIX-GJIMXDMH...
-
ME593492
-
-
ESI (+)
[M+H]+
1_trans-Cinnamic Acid -d5 iSTD_[M+H]+_WBYWAXJHAXSJ...
-
ME593493
-
-
ESI (+)
[M+H]+
Analysis: Normal phase NEGATIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
2,2-Dimethylglutaric acid
2,2-Dimethylglutaric acid
ME594098
-
-
0.6
159.0662
4,5-Dicaffeoylquinic acid
-
ME594125
-
-
0.6
353.0898
4-Hydroxy-3-methoxyphenethyl alcohol
-
ME594129
-
-
0.6
167.0713
.beta.-Gentiobiose
beta-Gentiobiose
ME594066
-
-
0.6
387.1167
Delphinidin 3-galactoside cation
-
ME594184
-
-
0.6
481.1003
DL-Isocitric acid lactone
-
ME594196
-
-
0.6
173.00917
(-)-Epigallocatechin
Epigallocatechin
ME594052
-
-
0.6
287.0576
Kaempferol-3-O-glucoside
Kaempferol-3-O-glucoside
ME594242
-
-
0.6
447.0959
Procyanidin C1
-
ME594329
-
-
0.6
865.2047
1_Hippuric acid-d5 iSTD
-
ME594081
-
-
0.7
183.0824
2,5-Dihydroxybenzaldehyde
Gentisate aldehyde
ME594103
-
-
0.7
137.0239
2-Isopropylmalic acid
2-Isopropylmalic acid
ME594108
-
-
0.7
175.0613
Atranorin
-
ME594156
-
-
0.7
163.0398
Callistephin
-
ME594162
-
-
0.7
431.1008
(+)-Catechin
Catechin
ME594057
-
-
0.7
579.1544
Chromone-3-carboxylic acid
Chromone-3-carboxylic acid
ME594172
-
-
0.7
145.02896
cis-Aconitic acid
cis-Aconitic acid
ME594173
-
-
0.7
173.0092
Citric acid
Citric acid
ME594174
-
-
0.7
191.02
Isochlorogenic acid b
-
ME594235
-
-
0.7
353.0896
Malioxamycin
-
ME594278
-
-
0.7
133.0138
Neochlorogenic acid
-
ME594296
-
-
0.7
707.1878
Procyanidin B2
Procyanidin B2
ME594328
-
-
0.7
577.1386
(-)-Quinic acid
Quinic acid
ME594054
-
-
0.7
191.0562
Corilagin
Corilagin
ME594176
-
-
0.8
633.0774
Cynarin
-
ME594181
-
-
0.8
353.0898
Ideain
-
ME594231
-
-
0.8
447.0958
N-Acetylleucine
N-Acetylleucine
ME594288
-
-
0.8
172.098
1,4-D-Xylobiose
Xylobiose
ME594073
-
-
0.9
341.1107
2-(2-Hydroxyethoxy)phenol
-
ME594096
-
-
0.9
135.0447
Asn-Ile
Asn-Ile
ME594154
-
-
0.9
244.1314
Asp-Leu
Asp-Leu
ME594155
-
-
0.9
245.11537
Caffeic acid
Caffeic acid
ME594160
-
-
0.9
179.0351
Chlorogenic acid
Chlorogenic acid
ME594171
-
-
0.9
353.08972
Delphinidin-3-O-beta-glucopyranoside
-
ME594186
-
-
0.9
463.0909
Epigallocatechin gallate
-
ME594205
-
-
0.9
169.0142
Gln-Leu
Gln-Leu
ME594218
-
-
0.9
258.1473
N-(Phenylacetyl)-L-phenylalanine
-
ME594287
-
-
0.9
164.0715
Ser-Leu
Ser-Leu
ME594349
-
-
0.9
217.1201
(2-oxo-2,3-dihydro-1H-indol-3-yl)acetic acid
2-Oxindole-3-acetate
ME594062
-
-
1
190.0512
7-Keto-8-aminopelargonic acid
8-Amino-7-oxononanoic acid
ME594138
-
-
1
186.1138
beta-D-Glucopyranoside, 2-phenylethyl 6-O-beta-D-x...
-
ME594159
-
-
1
461.1692
Daphnetin
-
ME594183
-
-
1
177.0195
Glycyl-L-norleucine
-
ME594222
-
-
1
187.1091
Phe-Glu
Phe-Glu
ME594315
-
-
1
293.1158
(2S,3S,4S,5R,6R)-6-(3-benzoyloxy-2-hydroxypropoxy)...
-
ME594065
-
-
1.1
371.1003
3-Hydroxybenzaldehyde
3-Hydroxybenzaldehyde
ME594121
-
-
1.1
121.0289
Epicatechin
Epicatechin
ME594204
-
-
1.1
289.0732
Glu-Leu
Glu-Leu
ME594220
-
-
1.1
259.1313
L-Alanyl-L-norleucine
-
ME594246
-
-
1.1
201.1249
L-Glutamic acid
Glutamic acid
ME594250
-
-
1.1
146.0456
Thr-Leu
Thr-Leu
ME594362
-
-
1.1
231.1359
L-Tryptophan
Tryptophan
ME594275
-
-
1.195_1.258
407.1747_203.08308
2-Furanpropanoic acid, 3-carboxy-4-methyl-5-propyl...
-
ME594105
-
-
1.2
239.0935
2-Propylglutaric acid
2-Propylglutaric acid
ME594110
-
-
1.2
173.082
6-Hydroxy-2,6,10,10-tetramethyl-1-oxaspiro[4.5]dec...
-
ME594136
-
-
1.2
567.2694
D-Mannose 6-phosphate
Mannose 6-phosphate
ME594197
-
-
1.2
259.0238
L-(-)-3-Phenyllactic acid
L-3-Phenyllactic acid
ME594245
-
-
1.2
165.0557
N-Acetyl-L-phenylalanine
N-Acetylphenylalanine
ME594289
-
-
1.2
206.0827
Phloroglucinolcarboxylic acid
-
ME594321
-
-
1.2
169.0142
Tryptophan
Tryptophan
ME594370
-
-
1.2
203.0831
1_(beta)-Epigallocatechin Gallate-d3/d4 iSTD
-
ME594074
-
-
1.3
460.099
(1R,3R,4S,5R)-1,3,4-trihydroxy-5-[(E)-3-(4-hydroxy...
-
ME594060
-
-
1.3
337.0948
2',4',6'-Trihydroxydihydrochalcone
-
ME594099
-
-
1.3
257.0832
4-Pyridoxic acid
4-Pyridoxic acid
ME594131
-
-
1.3
138.0557
Digalacturonic acid
Digalacturonic acid
ME594190
-
-
1.3
175.0249
Dihydromyricetin
Dihydromyricetin
ME594191
-
-
1.3
319.0474
Ethyl gallate
-
ME594207
-
-
1.3
197.0459
.gamma.-Glu-Cys
gamma-Glutamylcysteine
ME594068
-
-
1.3
249.0563
Petunidin 3-glucoside cation
-
ME594312
-
-
1.3
477.1056
Ser-Phe
Ser-Phe
ME594350
-
-
1.3
251.105
3-O-Feruloylquinic acid
3-O-Feruloylquinic acid
ME594122
-
-
1.4
367.1053
Fumarprotocetraric acid
Fumarprotocetraric acid
ME594214
-
-
1.4
355.0479
Gln-Phe
Gln-Phe
ME594219
-
-
1.4
292.1319
Gly-Phe
Gly-Phe
ME594223
-
-
1.4
221.0939
Hydroferulic acid
Dihydroferulic acid
ME594230
-
-
1.4
195.0666
Phenylpyruvic acid
Phenylpyruvic acid
ME594316
-
-
1.4
163.0399
Val-Ile
Val-Ile
ME594373
-
-
1.4
229.1567
1,3-Cyclohexanedicarboxylic acid
-
ME594072
-
-
1.5
171.0663
Acetosyringone
Acetosyringone
ME594148
-
-
1.5
195.0666
Epiafzelechin (2R,3R)(-)
-
ME594203
-
-
1.5
273.0784
Leu-Pro
Leu-Pro
ME594249
-
-
1.5
227.141
Oenin
-
ME594299
-
-
1.5
491.1225
Procyanidin B1
Procyanidin B1
ME594327
-
-
1.5
577.1387
Thr-Phe
Thr-Phe
ME594363
-
-
1.5
265.12088
(.+/-.)-2-Hydroxyisocaproic acid
2-Hydroxyisocaproic acid
ME594055
-
-
1.6
131.0709
Ala-Phe
Ala-Phe
ME594149
-
-
1.6
235.1098
D-Saccharic acid 1,4-lactone
-
ME594199
-
-
1.6
173.0092
Glu-Phe
Glu-Phe
ME594221
-
-
1.6
293.1161
Delphinidin-3-O-(2''-O-beta-xylopyranosyl-beta-glu...
-
ME594185
-
-
1.7
595.1344
Ferulic acid
trans-Ferulic acid
ME594211
-
-
1.7
193.051
m-Hydroxybenzoylecgonine
-
ME594285
-
-
1.7
137.024
Palatinose
Palatinose
ME594305
-
-
1.7
221.0674
[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5R,6S)-3-[(2S,3R,4...
-
ME594070
-
-
1.8
741.1937
Luteolin 7-glucoside
-
ME594276
-
-
1.8
447.0957
Malvidin 3,5-diglucoside cation
-
ME594279
-
-
1.8
509.1316
N-Acetyltryptophan
N-Acetyl-tryptophan
ME594290
-
-
1.8
245.0942
Rhoifolin
-
ME594343
-
-
1.8
577.1599
Sinapic acid
Sinapic acid
ME594351
-
-
1.8
223.062
Chicoric acid
-
ME594170
-
-
1.807_1.835
236.0335_473.07498
Caftaric acid
-
ME594161
-
-
1.817_1.875
293.0319_311.0425
4-[(E)-3-[1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]...
-
ME594127
-
-
1.9
537.1068
N-Methyl-L-phenylalanine
-
ME594297
-
-
1.9
147.0448
Polydatin
Piceid
ME594325
-
-
1.9
435.1321
Procyanidin A2
-
ME594326
-
-
1.9
575.123
trans-3,5-Dimethoxy-4-hydroxycinnamaldehyde
Sinapoyl aldehyde
ME594366
-
-
1.9
207.0668
Val-Leu
Val-Leu
ME594374
-
-
1.9
229.1566
3,5,7,3',4'-Pentahydroxyflavanone
-
ME594113
-
-
2
303.0526
Aminomethylphosphonic acid
-
ME594151
-
-
2
221.00987
DL-3-Phenyllactic acid
Phenyllactic acid
ME594194
-
-
2
165.0556
Ellagic acid
Ellagic acid
ME594201
-
-
2
301.0006
(-)-Homoeriodictyol
-
ME594053
-
-
2
151.0035
Lithospermic acid
-
ME594252
-
-
2
493.1165
Phloroglucinocarboxaldehyde
-
ME594320
-
-
2
153.0191
Quercetin 3-glucoside
Quercetin 3-glucoside
ME594335
-
-
2
927.1903
Rutin
Rutin
ME594345
-
-
2
609.1502
Sebacic acid
Sebacic acid
ME594348
-
-
2
201.1137
3-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl...
-
ME594118
-
-
2.1
579.139
Eriodictyol-7-O-glucoside
-
ME594206
-
-
2.1
449.1107
Isoquercitin
-
ME594236
-
-
2.1
463.0909
quercetin 3-O-glucuronide
-
ME594337
-
-
2.1
477.0699
8-Hydroxyquinoline-2-carbaldehyde
-
ME594139
-
-
2.2
144.0451
Leu-Gly-Leu
Leu-Gly-Leu
ME594247
-
-
2.2
300.1945
omega-Benzoyloxyphloracetophenone
-
ME594300
-
-
2.2
287.0576
Tyr-Leu
Tyr-Leu
ME594371
-
-
2.2
293.1524
Guaiaverin
-
ME594226
-
-
2.239_2.248
433.0799_867.1686
Coniferyl aldehyde
Coniferyl aldehyde
ME594175
-
-
2.251_2.257
162.0321_177.05576
NCGC00380817-01_C15H20O9_
-
ME594295
-
-
2.3
343.1053
Thr-Val-Leu
Thr-Val-Leu
ME594364
-
-
2.3
330.2054
3',4',5,7-Tetrahydroxy-3-methoxyflavone
-
ME594111
-
-
2.4
315.0528
Avicularin
-
ME594157
-
-
2.4
433.0794
Cyanidin-3-glucoside
-
ME594179
-
-
2.4
447.0956
Pelargonidin cation
-
ME594311
-
-
2.4
269.0469
Quercetin-3-O-glucose-6''-acetate
-
ME594341
-
-
2.4
505.1019
Quercetin 3-O-malonylglucoside
Quercetin 3-O-malonylglucoside
ME594338
-
-
2.4
549.092
Scutellarin
-
ME594347
-
-
2.4
461.0753
trans-Ferulic acid
trans-Ferulic acid
ME594367
-
-
2.4
193.0509
10-Hydroxy-2-decenoic acid
-
ME594086
-
-
2.5
185.1186
2-(3,5-dihydroxy-4-methoxyphenyl)-5,7-dihydroxy-3-...
-
ME594097
-
-
2.5
477.1064
Engeletin
-
ME594202
-
-
2.5
287.0576
Gossypin
Gossypin
ME594225
-
-
2.5
479.086
Isorhamnetin-3-O-rutinoside
Isorhamnetin-3-O-rutinoside
ME594239
-
-
2.5
623.1657
Quercetin-3-O-alpha-L-rhamnopyranoside
-
ME594339
-
-
2.5
447.0954
Val-Phe
Val-Phe
ME594375
-
-
2.5
263.1416
2-cis-4-trans-Abscisic acid
-
ME594104
-
-
2.6
263.1303
5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(2S,3R,4S,5R)...
-
ME594133
-
-
2.6
417.0849
6-[5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-o...
-
ME594135
-
-
2.6
491.0862
Alternariol
-
ME594150
-
-
2.6
257.0468
.beta.-Resorcylic acid
-
ME594067
-
-
2.6
153.0191
Isorhamnetin-3-glucoside
-
ME594238
-
-
2.6
477.1063
Kaempferol-7-O-neohesperidoside
Kaempferol-7-O-neohesperidoside
ME594243
-
-
2.6
593.155
naringenin-7-O-glucoside
Naringenin-7-O-glucoside
ME594292
-
-
2.6
433.1165
Narirutin
Narirutin
ME594293
-
-
2.6
271.0625
quercetin-3-O-deoxyhexosyl(1-2)pentoside
-
ME594340
-
-
2.6
579.1392
Syringetin 3-glucoside
-
ME594360
-
-
2.6
507.1173
Ile-Leu
Ile-Leu
ME594233
-
-
2.7
243.1726
ROSMARINIC ACID
Rosmarinic acid
ME594344
-
-
2.7
359.079
(2R,3R,4S,5S,6R)-2-octoxy-6-[[(2S,3R,4S,5R)-3,4,5-...
-
ME594064
-
-
2.8
469.2317
Apigenin 7-glucoside
-
ME594153
-
-
2.8
431.1006
Baicalin
Baicalin
ME594158
-
-
2.8
445.0793
Quercetin 3-O-.beta.-D-glucose-6'-acetate
-
ME594336
-
-
2.8
505.1019
1_trans-Cinnamic Acid-d5 iSTD
-
ME594084
-
-
2.9
152.0762
1_trans-Resveratrol-d4 iSTD
-
ME594085
-
-
2.9
231.0964
Abscisic acid
Abscisic acid
ME594147
-
-
2.9
263.1302
Cyanidin-3-O-rhamnoside
-
ME594180
-
-
2.9
431.1012
Cyanidin cation
-
ME594178
-
-
2.9
285.042
Dodecanedioic acid
Dodecanedioic acid
ME594198
-
-
2.9
229.1454
Quercetin 3,4'-di-O-glucoside
-
ME594334
-
-
2.9
463.0908
(+)-Abscisic acid
Abscisic acid
ME594056
-
-
2.914_2.92
153.0918_219.1397
1_Daidzein-d4 iSTD
-
ME594079
-
-
3
257.0757
3,5-Dihydroxybenzoic acid
3,5-Dihydroxybenzoic acid
ME594114
-
-
3
153.0191
3-phenyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[...
-
ME594123
-
-
3
471.132
Myricetin
Myricetin
ME594286
-
-
3
317.0318
(+)-Pinoresinol
Pinoresinol
ME594058
-
-
3
357.136
Leu-Ile
Leu-Ile
ME594248
-
-
3.1
243.1725
Quercetagetin-7-O-glucoside
-
ME594331
-
-
3.1
479.0859
4-Isopropylbenzoic acid
4-Isopropylbenzoic acid
ME594130
-
-
3.2
163.0763
Ethyl trans-caffeate
-
ME594209
-
-
3.2
207.0669
Ile-Gly-Ile
Ile-Gly-Ile
ME594232
-
-
3.2
300.1945
N-Caffeoyl-O-methyltyramine
-
ME594294
-
-
3.2
312.1257
Phloretin
Phloretin
ME594318
-
-
3.2
273.0783
Phlorizin
Phlorizin
ME594319
-
-
3.2
435.1319
Salvianolic acid B
-
ME594346
-
-
3.2
717.1511
Spiraeoside
-
ME594352
-
-
3.2
463.0908
6-O-Pentopyranosyl-1-O-[(2,6,6-trimethyl-1-cyclohe...
-
ME594137
-
-
3.3
507.2113
Ile-Phe
Ile-Phe
ME594234
-
-
3.4
277.1573
Jasmonic acid
Jasmonic acid
ME594240
-
-
3.4
209.1189
1-O-[(2alpha,3beta,5xi,6beta,9xi,18xi)-2,3,6,23-Te...
-
ME594090
-
-
3.6
711.4007
Theaflavin
Theaflavin
ME594361
-
-
3.6
563.1228
(2R,3R,4R,6aR,6bS,8aR,14bR)-2,3,12-trihydroxy-4,6a...
-
ME594063
-
-
3.7
679.3743
1_Quercetin-d3 iSTD
-
ME594082
-
-
3.8
304.0558
Maritimein
-
ME594280
-
-
3.8
283.0263
Quercetin
Quercetin
ME594333
-
-
3.8
603.082
Tiliroside
-
ME594365
-
-
3.8
593.1342
2,4-Dichlorobenzoic acid
2,4-Dichlorobenzoic acid
ME594100
-
-
3.9
188.9518
Cercosporamide
-
ME594169
-
-
3.9
313.03708
Fisetin
-
ME594212
-
-
3.9
285.0421
Gossypetin 3-methylether
-
ME594224
-
-
3.9
331.0477
Purpurin
Purpurin
ME594330
-
-
4
255.03119
Ethyl p-coumarate
-
ME594208
-
-
4.1
191.0717
trans-Traumatic acid
Traumatic acid
ME594368
-
-
4.1
227.1297
1_Genistein-d4 iSTD
-
ME594080
-
-
4.2
273.072
Flavanomarein
-
ME594213
-
-
4.2
287.0578
Ketoprofen .beta.-D-glucuronide
-
ME594244
-
-
4.2
429.1215
Pinocembrine
-
ME594324
-
-
4.2
255.0676
14-O-Acetyldaunomycinone
-
ME594088
-
-
4.4
311.05795
1-O-[(2alpha,3beta,5xi,9xi,18xi)-2,3,23-Trihydroxy...
-
ME594091
-
-
4.4
695.4058
Quercetagetinidin cation
-
ME594332
-
-
4.4
299.0213
Rhamnetin
-
ME594342
-
-
4.4
315.053
1_Apigenin-d5 iSTD
-
ME594076
-
-
4.5
274.0782
4',5,7-Trihydroxy 3,6,8-trimethoxyflavone
-
ME594124
-
-
4.5
359.0793
3,4-Dimethoxy-2'-hydroxy-5'-methylchalcone
-
ME594112
-
-
4.6
297.1146
3',5'-Dimethoxy-3,5,7,4'-tetrahydroxyflavone
-
ME594115
-
-
4.6
345.0633
Apigenin
Apigenin
ME594152
-
-
4.6
269.0471
2',5'-Dihydroxy-4-methoxychalcone
-
ME594102
-
-
4.7
269.0833
Dicumarol
Dicumarol
ME594189
-
-
4.7
335.0555
DL-3,4-Dihydroxyphenyl glycol
3,4-Dihydroxyphenylglycol
ME594193
-
-
4.7
151.04
Isorhamnetin
Isorhamnetin
ME594237
-
-
4.7
315.0528
O,O-Dimethyl dithiophosphate
-
ME594298
-
-
4.7
156.955
Naringenin
Naringenin
ME594291
-
-
4.8
271.0627
Jasmonyl isoleucine
-
ME594241
-
-
5
322.20401
3,7-Dihydroxy-3',4'-dimethoxyflavone
-
ME594116
-
-
5.2
313.0735
1_2-hydroxyfluorene-d9 iSTD
-
ME594075
-
-
5.3
190.1228
(1S,4aR,6aS,6bR,9R,10R,11R,12aR,14bS)-1,10,11-trih...
-
ME594061
-
-
5.3
503.3409
5,3'-Dihydroxy-6,7,4'-trimethoxyflavone
-
ME594132
-
-
5.3
343.0841
Sucrose
Sucrose
ME594359
-
-
5.388_5.409
341.1048_377.0878
3-Hydroxy-3',4'-dimethoxyflavone
-
ME594120
-
-
5.4
297.0784
Dinor-12-oxophytodienoic acid
-
ME594192
-
-
5.4
263.1667
D-(+)-Trehalose
Trehalose
ME594182
-
-
5.4
387.1168
Medicagenic acid
-
ME594281
-
-
5.4
501.3251
2,4-Di-tert-butylphenol
2,4-Ditert-butylphenol
ME594101
-
-
5.5
205.1602
4',5-Dihydroxy-7-methoxyflavanone
-
ME594126
-
-
5.5
285.0785
4-Deoxyphloridzin
-
ME594128
-
-
5.5
257.0833
Calycosin
-
ME594163
-
-
5.5
283.0628
FAHFA 18:1
FAHFA 18:1;O
ME594210
-
-
5.5
311.2244
LPC 12:0
LPC 12:0
ME594254
-
-
5.5
484.2709
LPI 18:3
LPI 18:3
ME594274
-
-
5.5
593.2771
Pinocembrin
-
ME594323
-
-
5.5
255.0675
Tricin methyl ether
-
ME594369
-
-
5.5
343.0841
9,10-Dihydroxy-12Z-octadecenoic acid
9,10-DiHOME
ME594140
-
-
5.6
313.24
9-Hydroperoxy-10E,12Z,15Z-octadecatrienoic acid
-
ME594142
-
-
5.6
309.2088
Caulophyllogenin
-
ME594164
-
-
5.6
487.3457
LPI 16:0
LPI 16:0
ME594273
-
-
5.6
571.2925
1_CUDA iSTD
-
ME594078
-
-
5.7
339.2667
2-Hydroxymyristic acid
2-Hydroxymyristic acid
ME594106
-
-
5.7
243.1975
LPC 14:0
LPC 14:0
ME594255
-
-
5.7
512.3023
LPE 18:3
LPE 18:3
ME594267
-
-
5.7
474.2654
LPG 18:3
LPG 18:3
ME594272
-
-
5.7
505.2604
Madecassic acid
-
ME594277
-
-
5.7
485.33
9-Oxo-11-(3-pentyl-2-oxiranyl)-10E-undecenoic acid
-
ME594144
-
-
5.749_5.714
291.1981_309.2088
9S-Hydroxy-10E,12Z,15Z-octadecatrienoic acid
9S-HOTrE
ME594146
-
-
5.792_5.8
275.2032_293.2138
1-Pentadecanoyl-sn-glycero-3-phosphocholine
LPC 15:0/0:0
ME594094
-
-
5.8
526.3179
3-Cyclopentene-1-octanoic acid, 2-(3-hydroxy-1-pen...
-
ME594119
-
-
5.8
307.1932
9,12,15-Octadecatrienoic acid, 3-(hexopyranosyloxy...
-
ME594141
-
-
5.8
559.3154
LPC 16:1
LPC 16:1
ME594257
-
-
5.8
538.3184
LPC 18:2
LPC 18:2
ME594258
-
-
5.8
564.334
LPC 18:3
LPC 18:3
ME594259
-
-
5.8
562.3184
LPE 15:0
LPE 15:0
ME594261
-
-
5.8
438.2651
LPE 16:1
LPE 16:1
ME594263
-
-
5.8
450.2653
LPE 18:2
LPE 18:2
ME594266
-
-
5.8
476.2809
LPG 16:0
LPG 16:0
ME594270
-
-
5.8
483.2755
LPG 18:2
LPG 18:2
ME594271
-
-
5.8
507.2758
12(13)-Epoxy-9Z-octadecenoic acid
12(13)-EpOME
ME594087
-
-
5.9
295.2292
2-Hydroxypalmitic acid
2-Hydroxypalmitic acid
ME594107
-
-
5.9
271.2294
6,4'-Dimethoxy-7-hydroxyisoflavone
-
ME594134
-
-
5.9
297.0783
9-Oxo-10E,12Z,15Z-octadecatrienoic acid
-
ME594143
-
-
5.9
291.1981
Corosolic acid
-
ME594177
-
-
5.9
471.3506
LPC 16:0
LPC 16:0
ME594256
-
-
5.9
540.3338
LPE 16:0
LPE 16:0
ME594262
-
-
5.9
452.2808
LPE 18:1
LPE 18:1
ME594265
-
-
5.9
478.2967
1-Oleoyl-sn-glycero-3-phosphocholine
LPC 18:1/0:0
ME594092
-
-
5.926_5.922
556.3218_566.3497
1-Stearoyl-2-hydroxy-sn-glycero-3-phosphocholine
LPC 18:0/0:0
ME594095
-
-
6
568.3654
9S-Hydroperoxy-10E,12Z-octadecadienoic acid
9S-HpODE
ME594145
-
-
6
293.2138
LPC 20:2
LPC 20:2
ME594260
-
-
6
592.366
LPE 18:0
LPE 18:0
ME594264
-
-
6
480.3124
1_Betulinic acid-d3 iSTD
-
ME594077
-
-
6.1
458.3745
LPA 16:0
LPA 16:0
ME594253
-
-
6.1
409.2383
LPE 20:0
LPE 20:0
ME594268
-
-
6.1
508.3439
16-Hydroxyhexadecanoic acid
Juniperic acid
ME594089
-
-
6.2
271.2294
OxPI 34:2+1O
PI 34:2
ME594301
-
-
6.2
849.5185
PA 38:5
PA 38:5
ME594303
-
-
6.2
721.47217
y-Linolenic acid
gamma-Linolenic acid
ME594376
-
-
6.2
277.2187
Linoleic acid
Linoleic acid
ME594251
-
-
6.3
279.2344
LPE 22:0
LPE 22:0
ME594269
-
-
6.3
536.3753
PA 38:6
PA 38:6
ME594304
-
-
6.3
719.4557
PG 32:1
PG 32:1
ME594313
-
-
6.3
719.4919
SQDG 31:1
SQDG 31:1
ME594353
-
-
6.3
777.4879
(+)-Usnic acid
-
ME594059
-
-
6.3
343.0841
Vaccenic acid
cis-Vaccenic acid
ME594372
-
-
6.3
281.25
HexCer-AP t34:1
HexCer 34:1;O3
ME594227
-
-
6.388_6.386
730.5521_776.5584
Pheophorbide a
Pheophorbide a
ME594317
-
-
6.4
591.2649
SQDG 34:2
SQDG 34:2
ME594355
-
-
6.4
817.519
1,2-Dilinolenoyl-sn-glycero-3-phosphoethanolamine
-
ME594071
-
-
6.5
734.482
DGDG 34:3
DGDG 34:3
ME594188
-
-
6.5
959.6011
HexCer-NS d34:2
HexCer 34:2;O2
ME594229
-
-
6.5
742.5529
Cer-AP t34:1
Cer 34:1;O3
ME594165
-
-
6.557_6.558
568.4974_614.5038
DGDG 34:2
DGDG 34:2
ME594187
-
-
6.6
961.617
HexCer-AP t38:1
HexCer 38:1;O3
ME594228
-
-
6.6
832.6215
MGDG 36:5
MGDG 36:5
ME594283
-
-
6.6
821.5476
MGDG 36:6
MGDG 36:6
ME594284
-
-
6.6
819.5317
PC 36:5
PC 36:5
ME594307
-
-
6.6
824.5505
PE 34:3
PE 34:3
ME594308
-
-
6.6
712.4974
PE 36:4
PE 36:4
ME594309
-
-
6.6
738.5131
PE 36:5
PE 36:5
ME594310
-
-
6.6
736.4975
2-Linoleoyl-1-palmitoyl-sn-glycero-3-phosphoethano...
PE 16:0/18:2
ME594109
-
-
6.7
714.5128
GlcADG 34:2
DGGA 34:2
ME594216
-
-
6.7
767.5363
GlcADG 36:4
DGGA 36:4
ME594217
-
-
6.7
791.5364
MGDG 34:3
MGDG 34:3
ME594282
-
-
6.7
797.5474
PC 36:4
PC 36:4
ME594306
-
-
6.7
826.5662
1-Palmitoyl-2-linoleoyl-sn-glycero-3-phosphocholin...
PC 16:0/18:2
ME594093
-
-
6.874_6.83
792.5371_802.5659
Cer-AP t42:2
Cer 42:2;O3
ME594168
-
-
6.9
724.6146
Cer-AP t40:1
Cer 40:1;O3
ME594166
-
-
6.9_6.908
652.5922_698.5987
Cer-AP t42:1
Cer 42:1;O3
ME594167
-
-
6.973_6.974
680.6233_726.6305
1_Reserpine-d9 iSTD
-
ME594083
-
-
7.4
616.325
D-Tartaric acid
-
ME594200
-
-
9.1
149.0089
3.alpha.-Mannobiose
-
ME594117
-
-
9.2
387.1166
Galactinol
Galactinol
ME594215
-
-
9.2
341.1106
PA 36:5
PA 36:5
ME594302
-
-
9.2
693.4546
SQDG 32:0
SQDG 32:0
ME594354
-
-
9.2
793.5198
SQDG 34:3
SQDG 34:3
ME594356
-
-
9.2
815.5043
SQDG 36:3
SQDG 36:3
ME594357
-
-
9.2
843.5356
SQDG 36:6
SQDG 36:6
ME594358
-
-
9.2
837.4887
PG 34:3
PG 34:3
ME594314
-
-
9.3
743.4918
DL-Arginine
Arginine
ME594195
-
-
9.6
173.1044
Phytic acid
Myo-inositol hexakisphosphate
ME594322
-
-
9.6
658.8585
.gamma.-Glutamyl-(S)-allyl-L-cysteine
-
ME594069
-
-
-
271.0772_579.1835_289.0878
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