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