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Return to study ST000456 main page
Analysis: Reversed phase-1 POSITIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
Ac-Orn
N-Acetylornithine
ME153007
-
-
-
-
ADMA
Dimethylarginine
ME153008
-
-
-
-
Ala
Alanine
ME152986
-
-
-
-
alpha-AAA
Aminoadipic acid
ME153009
-
-
-
-
Arg
Arginine
ME152987
-
-
-
-
Asn
Asparagine
ME152988
-
-
-
-
Asp
Aspartic acid
ME152989
-
-
-
-
C0
Carnitine
ME152946
-
-
-
-
C10
CAR 10:0
ME152947
-
-
-
-
C10:1
CAR 10:1
ME152948
-
-
-
-
C10:2
CAR 10:2
ME152949
-
-
-
-
C12
CAR 12:0
ME152950
-
-
-
-
C12:1
CAR 12:1
ME152952
-
-
-
-
C12-DC
CAR DC12:0
ME152951
-
-
-
-
C14
CAR 14:0
ME152953
-
-
-
-
C14:1
CAR 14:1
ME152954
-
-
-
-
C14:1-OH
CAR 14:1;OH
ME152955
-
-
-
-
C14:2
CAR 14:2
ME152956
-
-
-
-
C14:2-OH
CAR 14:2;OH
ME152957
-
-
-
-
C16
CAR 16:0
ME152958
-
-
-
-
C16:1
CAR 16:1
ME152960
-
-
-
-
C16:1-OH
CAR 16:1;OH
ME152961
-
-
-
-
C16:2
CAR 16:2
ME152962
-
-
-
-
C16:2-OH
CAR 16:2;OH
ME152963
-
-
-
-
C16-OH
CAR 16:0;OH
ME152959
-
-
-
-
C18
CAR 18:0
ME152964
-
-
-
-
C18:1
CAR 18:1
ME152965
-
-
-
-
C18:1-OH
CAR 18:1;OH
ME152966
-
-
-
-
C18:2
CAR 18:2
ME152967
-
-
-
-
C2
CAR 2:0
ME152968
-
-
-
-
C3
CAR 3:0
ME152969
-
-
-
-
C3:1
CAR 3:1
ME152972
-
-
-
-
C3-DC (C4-OH)
CAR DC3:0
ME152970
-
-
-
-
C3-OH
CAR 3:0;OH
ME152971
-
-
-
-
C4
CAR 4:0
ME152973
-
-
-
-
C4:1
CAR 4:1
ME152974
-
-
-
-
c4-OH-Pro
cis-4-Hydroxyproline
ME153010
-
-
-
-
C5
CAR 5:0
ME152976
-
-
-
-
C5:1
CAR 5:1
ME152979
-
-
-
-
C5:1-DC
CAR DC5:1
ME152980
-
-
-
-
C5-DC (C6-OH)
CAR DC5:0
ME152981
-
-
-
-
C5-M-DC
CAR DC5:0;3Me
ME152977
-
-
-
-
C5-OH (C3-DC-M)
CAR 5:0;OH
ME152978
-
-
-
-
C6:1
CAR 6:1
ME152982
-
-
-
-
C6 (C4:1-DC)
CAR 6:0
ME152975
-
-
-
-
C7-DC
CAR DC7:0
ME152983
-
-
-
-
C8
CAR 8:0
ME152984
-
-
-
-
C9
CAR 9:0
ME152985
-
-
-
-
Carnosine
Carnosine
ME153011
-
-
-
-
Cit
Citric acid
ME152990
-
-
-
-
Creatinine
Creatinine
ME153012
-
-
-
-
DOPA
DOPA
ME153013
-
-
-
-
Dopamine
Dopamine
ME153014
-
-
-
-
Gln
Glutamine
ME152991
-
-
-
-
Glu
Glutamic acid
ME152992
-
-
-
-
Gly
Glycine
ME152993
-
-
-
-
H1
Hexose
ME153133
-
-
-
-
His
Histidine
ME152994
-
-
-
-
Histamine
Histamine
ME153015
-
-
-
-
Ile
Isoleucine
ME152995
-
-
-
-
Kynurenine
Kynurenine
ME153016
-
-
-
-
Leu
Leucine
ME152996
-
-
-
-
Lys
Lysine
ME152997
-
-
-
-
lysoPC a C14:0
LPC 14:0
ME153028
-
-
-
-
lysoPC a C16:0
LPC 16:0
ME153029
-
-
-
-
lysoPC a C16:1
LPC 16:1
ME153030
-
-
-
-
lysoPC a C17:0
LPC 17:0
ME153031
-
-
-
-
lysoPC a C18:0
LPC 18:0
ME153032
-
-
-
-
lysoPC a C18:1
LPC 18:1
ME153033
-
-
-
-
lysoPC a C18:2
LPC 18:2
ME153034
-
-
-
-
lysoPC a C20:3
LPC 20:3
ME153035
-
-
-
-
lysoPC a C20:4
LPC 20:4
ME153036
-
-
-
-
lysoPC a C24:0
LPC 24:0
ME153037
-
-
-
-
lysoPC a C26:0
LPC 26:0
ME153038
-
-
-
-
lysoPC a C26:1
LPC 26:1
ME153039
-
-
-
-
lysoPC a C28:0
LPC 28:0
ME153040
-
-
-
-
lysoPC a C28:1
LPC 28:1
ME153041
-
-
-
-
Met
Methionine
ME152998
-
-
-
-
Met-SO
Methionine sulfoxide
ME153017
-
-
-
-
Nitro-Tyr
Nitrotyrosine
ME153018
-
-
-
-
Orn
Ornithine
ME152999
-
-
-
-
PC aa C24:0
PC 24:0
ME153042
-
-
-
-
PC aa C26:0
PC 26:0
ME153043
-
-
-
-
PC aa C28:1
PC 28:1
ME153044
-
-
-
-
PC aa C30:0
PC 30:0
ME153045
-
-
-
-
PC aa C30:2
PC 30:2
ME153046
-
-
-
-
PC aa C32:0
PC 32:0
ME153047
-
-
-
-
PC aa C32:1
PC 32:1
ME153048
-
-
-
-
PC aa C32:2
PC 32:2
ME153049
-
-
-
-
PC aa C32:3
PC 32:3
ME153050
-
-
-
-
PC aa C34:1
PC 34:1
ME153051
-
-
-
-
PC aa C34:2
PC 34:2
ME153052
-
-
-
-
PC aa C34:3
PC 34:3
ME153053
-
-
-
-
PC aa C34:4
PC 34:4
ME153054
-
-
-
-
PC aa C36:0
PC 36:0
ME153055
-
-
-
-
PC aa C36:1
PC 36:1
ME153056
-
-
-
-
PC aa C36:2
PC 36:2
ME153057
-
-
-
-
PC aa C36:3
PC 36:3
ME153058
-
-
-
-
PC aa C36:4
PC 36:4
ME153059
-
-
-
-
PC aa C36:5
PC 36:5
ME153060
-
-
-
-
PC aa C36:6
PC 36:6
ME153061
-
-
-
-
PC aa C38:0
PC 38:0
ME153062
-
-
-
-
PC aa C38:1
PC 38:1
ME153063
-
-
-
-
PC aa C38:3
PC 38:3
ME153064
-
-
-
-
PC aa C38:4
PC 38:4
ME153065
-
-
-
-
PC aa C38:5
PC 38:5
ME153066
-
-
-
-
PC aa C38:6
PC 38:6
ME153067
-
-
-
-
PC aa C40:1
PC 40:1
ME153068
-
-
-
-
PC aa C40:2
PC 40:2
ME153069
-
-
-
-
PC aa C40:3
PC 40:3
ME153070
-
-
-
-
PC aa C40:4
PC 40:4
ME153071
-
-
-
-
PC aa C40:5
PC 40:5
ME153072
-
-
-
-
PC aa C40:6
PC 40:6
ME153073
-
-
-
-
PC aa C42:0
PC 42:0
ME153074
-
-
-
-
PC aa C42:1
PC 42:1
ME153075
-
-
-
-
PC aa C42:2
PC 42:2
ME153076
-
-
-
-
PC aa C42:4
PC 42:4
ME153077
-
-
-
-
PC aa C42:5
PC 42:5
ME153078
-
-
-
-
PC aa C42:6
PC 42:6
ME153079
-
-
-
-
PC ae C30:0
PC O-30:0
ME153080
-
-
-
-
PC ae C30:1
PC O-30:1
ME153081
-
-
-
-
PC ae C30:2
PC O-30:2
ME153082
-
-
-
-
PC ae C32:1
PC O-32:1
ME153083
-
-
-
-
PC ae C32:2
PC O-32:2
ME153084
-
-
-
-
PC ae C34:0
PC O-34:0
ME153085
-
-
-
-
PC ae C34:1
PC O-34:1
ME153086
-
-
-
-
PC ae C34:2
PC O-34:2
ME153087
-
-
-
-
PC ae C34:3
PC O-34:3
ME153088
-
-
-
-
PC ae C36:0
PC O-36:0
ME153089
-
-
-
-
PC ae C36:1
PC O-36:1
ME153090
-
-
-
-
PC ae C36:2
PC O-36:2
ME153091
-
-
-
-
PC ae C36:3
PC O-36:3
ME153092
-
-
-
-
PC ae C36:4
PC O-36:4
ME153093
-
-
-
-
PC ae C36:5
PC O-36:5
ME153094
-
-
-
-
PC ae C38:0
PC O-38:0
ME153095
-
-
-
-
PC ae C38:1
PC O-38:1
ME153096
-
-
-
-
PC ae C38:2
PC O-38:2
ME153097
-
-
-
-
PC ae C38:3
PC O-38:3
ME153098
-
-
-
-
PC ae C38:4
PC O-38:4
ME153099
-
-
-
-
PC ae C38:5
PC O-38:5
ME153100
-
-
-
-
PC ae C38:6
PC O-38:6
ME153101
-
-
-
-
PC ae C40:1
PC O-40:1
ME153102
-
-
-
-
PC ae C40:2
PC O-40:2
ME153103
-
-
-
-
PC ae C40:3
PC O-40:3
ME153104
-
-
-
-
PC ae C40:4
PC O-40:4
ME153105
-
-
-
-
PC ae C40:5
PC O-40:5
ME153106
-
-
-
-
PC ae C40:6
PC O-40:6
ME153107
-
-
-
-
PC ae C42:0
PC O-42:0
ME153108
-
-
-
-
PC ae C42:1
PC O-42:1
ME153109
-
-
-
-
PC ae C42:2
PC O-42:2
ME153110
-
-
-
-
PC ae C42:3
PC O-42:3
ME153111
-
-
-
-
PC ae C42:4
PC O-42:4
ME153112
-
-
-
-
PC ae C42:5
PC O-42:5
ME153113
-
-
-
-
PC ae C44:3
PC O-44:3
ME153114
-
-
-
-
PC ae C44:4
PC O-44:4
ME153115
-
-
-
-
PC ae C44:5
PC O-44:5
ME153116
-
-
-
-
PC ae C44:6
PC O-44:6
ME153117
-
-
-
-
PEA
Palmitoyl-EA
ME153019
-
-
-
-
Phe
Phenylalanine
ME153000
-
-
-
-
Pro
Proline
ME153001
-
-
-
-
Putrescine
Putrescine
ME153020
-
-
-
-
SDMA
Symmetric dimethylarginine
ME153021
-
-
-
-
Ser
Serine
ME153002
-
-
-
-
Serotonin
Serotonin
ME153022
-
-
-
-
SM C16:0
SM 18:1;O2/16:0
ME153123
-
-
-
-
SM C16:1
SM 18:1;O2/16:1
ME153124
-
-
-
-
SM C18:0
SM 18:1;O2/18:0
ME153125
-
-
-
-
SM C18:1
SM 18:1;O2/18:1
ME153126
-
-
-
-
SM C20:2
SM 18:1;O2/20:2
ME153127
-
-
-
-
SM C22:3
SM 18:1;O2/22:3
ME153128
-
-
-
-
SM C24:0
SM 18:1;O2/24:0
ME153129
-
-
-
-
SM C24:1
SM 18:1;O2/24:1
ME153130
-
-
-
-
SM C26:0
SM 18:1;O2/26:0
ME153131
-
-
-
-
SM C26:1
SM 18:1;O2/26:1
ME153132
-
-
-
-
SM (OH) C14:1
SM 18:1;O2/14:1;O
ME153118
-
-
-
-
SM (OH) C16:1
SM 18:1;O2/16:1;O
ME153119
-
-
-
-
SM (OH) C22:1
SM 18:1;O2/22:1;O
ME153120
-
-
-
-
SM (OH) C22:2
SM 18:1;O2/22:2;O
ME153121
-
-
-
-
SM (OH) C24:1
SM 18:1;O2/24:1;O
ME153122
-
-
-
-
Spermidine
Spermidine
ME153023
-
-
-
-
Spermine
Spermine
ME153024
-
-
-
-
t4-OH-Pro
trans-4-Hydroxyproline
ME153025
-
-
-
-
Taurine
Taurine
ME153026
-
-
-
-
Thr
Threonine
ME153003
-
-
-
-
total DMA
Dimethylarginine
ME153027
-
-
-
-
Trp
Tryptophan
ME153004
-
-
-
-
Tyr
Tyrosine
ME153005
-
-
-
-
Val
Valine
ME153006
-
-
-
-
Analysis: Reversed phase-2 POSITIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
Ac-Orn
N-Acetylornithine
ME153195
-
-
-
-
ADMA
Dimethylarginine
ME153196
-
-
-
-
Ala
Alanine
ME153174
-
-
-
-
alpha-AAA
Aminoadipic acid
ME153197
-
-
-
-
Arg
Arginine
ME153175
-
-
-
-
Asn
Asparagine
ME153176
-
-
-
-
Asp
Aspartic acid
ME153177
-
-
-
-
C0
Carnitine
ME153134
-
-
-
-
C10
CAR 10:0
ME153135
-
-
-
-
C10:1
CAR 10:1
ME153136
-
-
-
-
C10:2
CAR 10:2
ME153137
-
-
-
-
C12
CAR 12:0
ME153138
-
-
-
-
C12:1
CAR 12:1
ME153140
-
-
-
-
C12-DC
CAR DC12:0
ME153139
-
-
-
-
C14
CAR 14:0
ME153141
-
-
-
-
C14:1
CAR 14:1
ME153142
-
-
-
-
C14:1-OH
CAR 14:1;OH
ME153143
-
-
-
-
C14:2
CAR 14:2
ME153144
-
-
-
-
C14:2-OH
CAR 14:2;OH
ME153145
-
-
-
-
C16
CAR 16:0
ME153146
-
-
-
-
C16:1
CAR 16:1
ME153148
-
-
-
-
C16:1-OH
CAR 16:1;OH
ME153149
-
-
-
-
C16:2
CAR 16:2
ME153150
-
-
-
-
C16:2-OH
CAR 16:2;OH
ME153151
-
-
-
-
C16-OH
CAR 16:0;OH
ME153147
-
-
-
-
C18
CAR 18:0
ME153152
-
-
-
-
C18:1
CAR 18:1
ME153153
-
-
-
-
C18:1-OH
CAR 18:1;OH
ME153154
-
-
-
-
C18:2
CAR 18:2
ME153155
-
-
-
-
C2
CAR 2:0
ME153156
-
-
-
-
C3
CAR 3:0
ME153157
-
-
-
-
C3:1
CAR 3:1
ME153160
-
-
-
-
C3-DC (C4-OH)
CAR DC3:0
ME153158
-
-
-
-
C3-OH
CAR 3:0;OH
ME153159
-
-
-
-
C4
CAR 4:0
ME153161
-
-
-
-
C4:1
CAR 4:1
ME153162
-
-
-
-
c4-OH-Pro
cis-4-Hydroxyproline
ME153198
-
-
-
-
C5
CAR 5:0
ME153164
-
-
-
-
C5:1
CAR 5:1
ME153167
-
-
-
-
C5:1-DC
CAR DC5:1
ME153168
-
-
-
-
C5-DC (C6-OH)
CAR DC5:0
ME153169
-
-
-
-
C5-M-DC
CAR DC5:0;3Me
ME153165
-
-
-
-
C5-OH (C3-DC-M)
CAR 5:0;OH
ME153166
-
-
-
-
C6:1
CAR 6:1
ME153170
-
-
-
-
C6 (C4:1-DC)
CAR 6:0
ME153163
-
-
-
-
C7-DC
CAR DC7:0
ME153171
-
-
-
-
C8
CAR 8:0
ME153172
-
-
-
-
C9
CAR 9:0
ME153173
-
-
-
-
Carnosine
Carnosine
ME153199
-
-
-
-
Cit
Citric acid
ME153178
-
-
-
-
Creatinine
Creatinine
ME153200
-
-
-
-
DOPA
DOPA
ME153201
-
-
-
-
Dopamine
Dopamine
ME153202
-
-
-
-
Gln
Glutamine
ME153179
-
-
-
-
Glu
Glutamic acid
ME153180
-
-
-
-
Gly
Glycine
ME153181
-
-
-
-
H1
Hexose
ME153321
-
-
-
-
His
Histidine
ME153182
-
-
-
-
Histamine
Histamine
ME153203
-
-
-
-
Ile
Isoleucine
ME153183
-
-
-
-
Kynurenine
Kynurenine
ME153204
-
-
-
-
Leu
Leucine
ME153184
-
-
-
-
Lys
Lysine
ME153185
-
-
-
-
lysoPC a C14:0
LPC 14:0
ME153216
-
-
-
-
lysoPC a C16:0
LPC 16:0
ME153217
-
-
-
-
lysoPC a C16:1
LPC 16:1
ME153218
-
-
-
-
lysoPC a C17:0
LPC 17:0
ME153219
-
-
-
-
lysoPC a C18:0
LPC 18:0
ME153220
-
-
-
-
lysoPC a C18:1
LPC 18:1
ME153221
-
-
-
-
lysoPC a C18:2
LPC 18:2
ME153222
-
-
-
-
lysoPC a C20:3
LPC 20:3
ME153223
-
-
-
-
lysoPC a C20:4
LPC 20:4
ME153224
-
-
-
-
lysoPC a C24:0
LPC 24:0
ME153225
-
-
-
-
lysoPC a C26:0
LPC 26:0
ME153226
-
-
-
-
lysoPC a C26:1
LPC 26:1
ME153227
-
-
-
-
lysoPC a C28:0
LPC 28:0
ME153228
-
-
-
-
lysoPC a C28:1
LPC 28:1
ME153229
-
-
-
-
Met
Methionine
ME153186
-
-
-
-
Met-SO
Methionine sulfoxide
ME153205
-
-
-
-
Nitro-Tyr
Nitrotyrosine
ME153206
-
-
-
-
Orn
Ornithine
ME153187
-
-
-
-
PC aa C24:0
PC 24:0
ME153230
-
-
-
-
PC aa C26:0
PC 26:0
ME153231
-
-
-
-
PC aa C28:1
PC 28:1
ME153232
-
-
-
-
PC aa C30:0
PC 30:0
ME153233
-
-
-
-
PC aa C30:2
PC 30:2
ME153234
-
-
-
-
PC aa C32:0
PC 32:0
ME153235
-
-
-
-
PC aa C32:1
PC 32:1
ME153236
-
-
-
-
PC aa C32:2
PC 32:2
ME153237
-
-
-
-
PC aa C32:3
PC 32:3
ME153238
-
-
-
-
PC aa C34:1
PC 34:1
ME153239
-
-
-
-
PC aa C34:2
PC 34:2
ME153240
-
-
-
-
PC aa C34:3
PC 34:3
ME153241
-
-
-
-
PC aa C34:4
PC 34:4
ME153242
-
-
-
-
PC aa C36:0
PC 36:0
ME153243
-
-
-
-
PC aa C36:1
PC 36:1
ME153244
-
-
-
-
PC aa C36:2
PC 36:2
ME153245
-
-
-
-
PC aa C36:3
PC 36:3
ME153246
-
-
-
-
PC aa C36:4
PC 36:4
ME153247
-
-
-
-
PC aa C36:5
PC 36:5
ME153248
-
-
-
-
PC aa C36:6
PC 36:6
ME153249
-
-
-
-
PC aa C38:0
PC 38:0
ME153250
-
-
-
-
PC aa C38:1
PC 38:1
ME153251
-
-
-
-
PC aa C38:3
PC 38:3
ME153252
-
-
-
-
PC aa C38:4
PC 38:4
ME153253
-
-
-
-
PC aa C38:5
PC 38:5
ME153254
-
-
-
-
PC aa C38:6
PC 38:6
ME153255
-
-
-
-
PC aa C40:1
PC 40:1
ME153256
-
-
-
-
PC aa C40:2
PC 40:2
ME153257
-
-
-
-
PC aa C40:3
PC 40:3
ME153258
-
-
-
-
PC aa C40:4
PC 40:4
ME153259
-
-
-
-
PC aa C40:5
PC 40:5
ME153260
-
-
-
-
PC aa C40:6
PC 40:6
ME153261
-
-
-
-
PC aa C42:0
PC 42:0
ME153262
-
-
-
-
PC aa C42:1
PC 42:1
ME153263
-
-
-
-
PC aa C42:2
PC 42:2
ME153264
-
-
-
-
PC aa C42:4
PC 42:4
ME153265
-
-
-
-
PC aa C42:5
PC 42:5
ME153266
-
-
-
-
PC aa C42:6
PC 42:6
ME153267
-
-
-
-
PC ae C30:0
PC O-30:0
ME153268
-
-
-
-
PC ae C30:1
PC O-30:1
ME153269
-
-
-
-
PC ae C30:2
PC O-30:2
ME153270
-
-
-
-
PC ae C32:1
PC O-32:1
ME153271
-
-
-
-
PC ae C32:2
PC O-32:2
ME153272
-
-
-
-
PC ae C34:0
PC O-34:0
ME153273
-
-
-
-
PC ae C34:1
PC O-34:1
ME153274
-
-
-
-
PC ae C34:2
PC O-34:2
ME153275
-
-
-
-
PC ae C34:3
PC O-34:3
ME153276
-
-
-
-
PC ae C36:0
PC O-36:0
ME153277
-
-
-
-
PC ae C36:1
PC O-36:1
ME153278
-
-
-
-
PC ae C36:2
PC O-36:2
ME153279
-
-
-
-
PC ae C36:3
PC O-36:3
ME153280
-
-
-
-
PC ae C36:4
PC O-36:4
ME153281
-
-
-
-
PC ae C36:5
PC O-36:5
ME153282
-
-
-
-
PC ae C38:0
PC O-38:0
ME153283
-
-
-
-
PC ae C38:1
PC O-38:1
ME153284
-
-
-
-
PC ae C38:2
PC O-38:2
ME153285
-
-
-
-
PC ae C38:3
PC O-38:3
ME153286
-
-
-
-
PC ae C38:4
PC O-38:4
ME153287
-
-
-
-
PC ae C38:5
PC O-38:5
ME153288
-
-
-
-
PC ae C38:6
PC O-38:6
ME153289
-
-
-
-
PC ae C40:1
PC O-40:1
ME153290
-
-
-
-
PC ae C40:2
PC O-40:2
ME153291
-
-
-
-
PC ae C40:3
PC O-40:3
ME153292
-
-
-
-
PC ae C40:4
PC O-40:4
ME153293
-
-
-
-
PC ae C40:5
PC O-40:5
ME153294
-
-
-
-
PC ae C40:6
PC O-40:6
ME153295
-
-
-
-
PC ae C42:0
PC O-42:0
ME153296
-
-
-
-
PC ae C42:1
PC O-42:1
ME153297
-
-
-
-
PC ae C42:2
PC O-42:2
ME153298
-
-
-
-
PC ae C42:3
PC O-42:3
ME153299
-
-
-
-
PC ae C42:4
PC O-42:4
ME153300
-
-
-
-
PC ae C42:5
PC O-42:5
ME153301
-
-
-
-
PC ae C44:3
PC O-44:3
ME153302
-
-
-
-
PC ae C44:4
PC O-44:4
ME153303
-
-
-
-
PC ae C44:5
PC O-44:5
ME153304
-
-
-
-
PC ae C44:6
PC O-44:6
ME153305
-
-
-
-
PEA
Palmitoyl-EA
ME153207
-
-
-
-
Phe
Phenylalanine
ME153188
-
-
-
-
Pro
Proline
ME153189
-
-
-
-
Putrescine
Putrescine
ME153208
-
-
-
-
SDMA
Symmetric dimethylarginine
ME153209
-
-
-
-
Ser
Serine
ME153190
-
-
-
-
Serotonin
Serotonin
ME153210
-
-
-
-
SM C16:0
SM 18:1;O2/16:0
ME153311
-
-
-
-
SM C16:1
SM 18:1;O2/16:1
ME153312
-
-
-
-
SM C18:0
SM 18:1;O2/18:0
ME153313
-
-
-
-
SM C18:1
SM 18:1;O2/18:1
ME153314
-
-
-
-
SM C20:2
SM 18:1;O2/20:2
ME153315
-
-
-
-
SM C22:3
SM 18:1;O2/22:3
ME153316
-
-
-
-
SM C24:0
SM 18:1;O2/24:0
ME153317
-
-
-
-
SM C24:1
SM 18:1;O2/24:1
ME153318
-
-
-
-
SM C26:0
SM 18:1;O2/26:0
ME153319
-
-
-
-
SM C26:1
SM 18:1;O2/26:1
ME153320
-
-
-
-
SM (OH) C14:1
SM 18:1;O2/14:1;O
ME153306
-
-
-
-
SM (OH) C16:1
SM 18:1;O2/16:1;O
ME153307
-
-
-
-
SM (OH) C22:1
SM 18:1;O2/22:1;O
ME153308
-
-
-
-
SM (OH) C22:2
SM 18:1;O2/22:2;O
ME153309
-
-
-
-
SM (OH) C24:1
SM 18:1;O2/24:1;O
ME153310
-
-
-
-
Spermidine
Spermidine
ME153211
-
-
-
-
Spermine
Spermine
ME153212
-
-
-
-
t4-OH-Pro
trans-4-Hydroxyproline
ME153213
-
-
-
-
Taurine
Taurine
ME153214
-
-
-
-
Thr
Threonine
ME153191
-
-
-
-
total DMA
Dimethylarginine
ME153215
-
-
-
-
Trp
Tryptophan
ME153192
-
-
-
-
Tyr
Tyrosine
ME153193
-
-
-
-
Val
Valine
ME153194
-
-
-
-
Analysis: Reversed phase NEGATIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
Ac-Orn
N-Acetylornithine
ME153383
-
-
-
-
ADMA
Dimethylarginine
ME153384
-
-
-
-
Ala
Alanine
ME153362
-
-
-
-
alpha-AAA
Aminoadipic acid
ME153385
-
-
-
-
Arg
Arginine
ME153363
-
-
-
-
Asn
Asparagine
ME153364
-
-
-
-
Asp
Aspartic acid
ME153365
-
-
-
-
C0
Carnitine
ME153322
-
-
-
-
C10
CAR 10:0
ME153323
-
-
-
-
C10:1
CAR 10:1
ME153324
-
-
-
-
C10:2
CAR 10:2
ME153325
-
-
-
-
C12
CAR 12:0
ME153326
-
-
-
-
C12:1
CAR 12:1
ME153328
-
-
-
-
C12-DC
CAR DC12:0
ME153327
-
-
-
-
C14
CAR 14:0
ME153329
-
-
-
-
C14:1
CAR 14:1
ME153330
-
-
-
-
C14:1-OH
CAR 14:1;OH
ME153331
-
-
-
-
C14:2
CAR 14:2
ME153332
-
-
-
-
C14:2-OH
CAR 14:2;OH
ME153333
-
-
-
-
C16
CAR 16:0
ME153334
-
-
-
-
C16:1
CAR 16:1
ME153336
-
-
-
-
C16:1-OH
CAR 16:1;OH
ME153337
-
-
-
-
C16:2
CAR 16:2
ME153338
-
-
-
-
C16:2-OH
CAR 16:2;OH
ME153339
-
-
-
-
C16-OH
CAR 16:0;OH
ME153335
-
-
-
-
C18
CAR 18:0
ME153340
-
-
-
-
C18:1
CAR 18:1
ME153341
-
-
-
-
C18:1-OH
CAR 18:1;OH
ME153342
-
-
-
-
C18:2
CAR 18:2
ME153343
-
-
-
-
C2
CAR 2:0
ME153344
-
-
-
-
C3
CAR 3:0
ME153345
-
-
-
-
C3:1
CAR 3:1
ME153348
-
-
-
-
C3-DC (C4-OH)
CAR DC3:0
ME153346
-
-
-
-
C3-OH
CAR 3:0;OH
ME153347
-
-
-
-
C4
CAR 4:0
ME153349
-
-
-
-
C4:1
CAR 4:1
ME153350
-
-
-
-
c4-OH-Pro
cis-4-Hydroxyproline
ME153386
-
-
-
-
C5
CAR 5:0
ME153352
-
-
-
-
C5:1
CAR 5:1
ME153355
-
-
-
-
C5:1-DC
CAR DC5:1
ME153356
-
-
-
-
C5-DC (C6-OH)
CAR DC5:0
ME153357
-
-
-
-
C5-M-DC
CAR DC5:0;3Me
ME153353
-
-
-
-
C5-OH (C3-DC-M)
CAR 5:0;OH
ME153354
-
-
-
-
C6:1
CAR 6:1
ME153358
-
-
-
-
C6 (C4:1-DC)
CAR 6:0
ME153351
-
-
-
-
C7-DC
CAR DC7:0
ME153359
-
-
-
-
C8
CAR 8:0
ME153360
-
-
-
-
C9
CAR 9:0
ME153361
-
-
-
-
Carnosine
Carnosine
ME153387
-
-
-
-
Cit
Citric acid
ME153366
-
-
-
-
Creatinine
Creatinine
ME153388
-
-
-
-
DOPA
DOPA
ME153389
-
-
-
-
Dopamine
Dopamine
ME153390
-
-
-
-
Gln
Glutamine
ME153367
-
-
-
-
Glu
Glutamic acid
ME153368
-
-
-
-
Gly
Glycine
ME153369
-
-
-
-
H1
Hexose
ME153509
-
-
-
-
His
Histidine
ME153370
-
-
-
-
Histamine
Histamine
ME153391
-
-
-
-
Ile
Isoleucine
ME153371
-
-
-
-
Kynurenine
Kynurenine
ME153392
-
-
-
-
Leu
Leucine
ME153372
-
-
-
-
Lys
Lysine
ME153373
-
-
-
-
lysoPC a C14:0
LPC 14:0
ME153404
-
-
-
-
lysoPC a C16:0
LPC 16:0
ME153405
-
-
-
-
lysoPC a C16:1
LPC 16:1
ME153406
-
-
-
-
lysoPC a C17:0
LPC 17:0
ME153407
-
-
-
-
lysoPC a C18:0
LPC 18:0
ME153408
-
-
-
-
lysoPC a C18:1
LPC 18:1
ME153409
-
-
-
-
lysoPC a C18:2
LPC 18:2
ME153410
-
-
-
-
lysoPC a C20:3
LPC 20:3
ME153411
-
-
-
-
lysoPC a C20:4
LPC 20:4
ME153412
-
-
-
-
lysoPC a C24:0
LPC 24:0
ME153413
-
-
-
-
lysoPC a C26:0
LPC 26:0
ME153414
-
-
-
-
lysoPC a C26:1
LPC 26:1
ME153415
-
-
-
-
lysoPC a C28:0
LPC 28:0
ME153416
-
-
-
-
lysoPC a C28:1
LPC 28:1
ME153417
-
-
-
-
Met
Methionine
ME153374
-
-
-
-
Met-SO
Methionine sulfoxide
ME153393
-
-
-
-
Nitro-Tyr
Nitrotyrosine
ME153394
-
-
-
-
Orn
Ornithine
ME153375
-
-
-
-
PC aa C24:0
PC 24:0
ME153418
-
-
-
-
PC aa C26:0
PC 26:0
ME153419
-
-
-
-
PC aa C28:1
PC 28:1
ME153420
-
-
-
-
PC aa C30:0
PC 30:0
ME153421
-
-
-
-
PC aa C30:2
PC 30:2
ME153422
-
-
-
-
PC aa C32:0
PC 32:0
ME153423
-
-
-
-
PC aa C32:1
PC 32:1
ME153424
-
-
-
-
PC aa C32:2
PC 32:2
ME153425
-
-
-
-
PC aa C32:3
PC 32:3
ME153426
-
-
-
-
PC aa C34:1
PC 34:1
ME153427
-
-
-
-
PC aa C34:2
PC 34:2
ME153428
-
-
-
-
PC aa C34:3
PC 34:3
ME153429
-
-
-
-
PC aa C34:4
PC 34:4
ME153430
-
-
-
-
PC aa C36:0
PC 36:0
ME153431
-
-
-
-
PC aa C36:1
PC 36:1
ME153432
-
-
-
-
PC aa C36:2
PC 36:2
ME153433
-
-
-
-
PC aa C36:3
PC 36:3
ME153434
-
-
-
-
PC aa C36:4
PC 36:4
ME153435
-
-
-
-
PC aa C36:5
PC 36:5
ME153436
-
-
-
-
PC aa C36:6
PC 36:6
ME153437
-
-
-
-
PC aa C38:0
PC 38:0
ME153438
-
-
-
-
PC aa C38:1
PC 38:1
ME153439
-
-
-
-
PC aa C38:3
PC 38:3
ME153440
-
-
-
-
PC aa C38:4
PC 38:4
ME153441
-
-
-
-
PC aa C38:5
PC 38:5
ME153442
-
-
-
-
PC aa C38:6
PC 38:6
ME153443
-
-
-
-
PC aa C40:1
PC 40:1
ME153444
-
-
-
-
PC aa C40:2
PC 40:2
ME153445
-
-
-
-
PC aa C40:3
PC 40:3
ME153446
-
-
-
-
PC aa C40:4
PC 40:4
ME153447
-
-
-
-
PC aa C40:5
PC 40:5
ME153448
-
-
-
-
PC aa C40:6
PC 40:6
ME153449
-
-
-
-
PC aa C42:0
PC 42:0
ME153450
-
-
-
-
PC aa C42:1
PC 42:1
ME153451
-
-
-
-
PC aa C42:2
PC 42:2
ME153452
-
-
-
-
PC aa C42:4
PC 42:4
ME153453
-
-
-
-
PC aa C42:5
PC 42:5
ME153454
-
-
-
-
PC aa C42:6
PC 42:6
ME153455
-
-
-
-
PC ae C30:0
PC O-30:0
ME153456
-
-
-
-
PC ae C30:1
PC O-30:1
ME153457
-
-
-
-
PC ae C30:2
PC O-30:2
ME153458
-
-
-
-
PC ae C32:1
PC O-32:1
ME153459
-
-
-
-
PC ae C32:2
PC O-32:2
ME153460
-
-
-
-
PC ae C34:0
PC O-34:0
ME153461
-
-
-
-
PC ae C34:1
PC O-34:1
ME153462
-
-
-
-
PC ae C34:2
PC O-34:2
ME153463
-
-
-
-
PC ae C34:3
PC O-34:3
ME153464
-
-
-
-
PC ae C36:0
PC O-36:0
ME153465
-
-
-
-
PC ae C36:1
PC O-36:1
ME153466
-
-
-
-
PC ae C36:2
PC O-36:2
ME153467
-
-
-
-
PC ae C36:3
PC O-36:3
ME153468
-
-
-
-
PC ae C36:4
PC O-36:4
ME153469
-
-
-
-
PC ae C36:5
PC O-36:5
ME153470
-
-
-
-
PC ae C38:0
PC O-38:0
ME153471
-
-
-
-
PC ae C38:1
PC O-38:1
ME153472
-
-
-
-
PC ae C38:2
PC O-38:2
ME153473
-
-
-
-
PC ae C38:3
PC O-38:3
ME153474
-
-
-
-
PC ae C38:4
PC O-38:4
ME153475
-
-
-
-
PC ae C38:5
PC O-38:5
ME153476
-
-
-
-
PC ae C38:6
PC O-38:6
ME153477
-
-
-
-
PC ae C40:1
PC O-40:1
ME153478
-
-
-
-
PC ae C40:2
PC O-40:2
ME153479
-
-
-
-
PC ae C40:3
PC O-40:3
ME153480
-
-
-
-
PC ae C40:4
PC O-40:4
ME153481
-
-
-
-
PC ae C40:5
PC O-40:5
ME153482
-
-
-
-
PC ae C40:6
PC O-40:6
ME153483
-
-
-
-
PC ae C42:0
PC O-42:0
ME153484
-
-
-
-
PC ae C42:1
PC O-42:1
ME153485
-
-
-
-
PC ae C42:2
PC O-42:2
ME153486
-
-
-
-
PC ae C42:3
PC O-42:3
ME153487
-
-
-
-
PC ae C42:4
PC O-42:4
ME153488
-
-
-
-
PC ae C42:5
PC O-42:5
ME153489
-
-
-
-
PC ae C44:3
PC O-44:3
ME153490
-
-
-
-
PC ae C44:4
PC O-44:4
ME153491
-
-
-
-
PC ae C44:5
PC O-44:5
ME153492
-
-
-
-
PC ae C44:6
PC O-44:6
ME153493
-
-
-
-
PEA
Palmitoyl-EA
ME153395
-
-
-
-
Phe
Phenylalanine
ME153376
-
-
-
-
Pro
Proline
ME153377
-
-
-
-
Putrescine
Putrescine
ME153396
-
-
-
-
SDMA
Symmetric dimethylarginine
ME153397
-
-
-
-
Ser
Serine
ME153378
-
-
-
-
Serotonin
Serotonin
ME153398
-
-
-
-
SM C16:0
SM 18:1;O2/16:0
ME153499
-
-
-
-
SM C16:1
SM 18:1;O2/16:1
ME153500
-
-
-
-
SM C18:0
SM 18:1;O2/18:0
ME153501
-
-
-
-
SM C18:1
SM 18:1;O2/18:1
ME153502
-
-
-
-
SM C20:2
SM 18:1;O2/20:2
ME153503
-
-
-
-
SM C22:3
SM 18:1;O2/22:3
ME153504
-
-
-
-
SM C24:0
SM 18:1;O2/24:0
ME153505
-
-
-
-
SM C24:1
SM 18:1;O2/24:1
ME153506
-
-
-
-
SM C26:0
SM 18:1;O2/26:0
ME153507
-
-
-
-
SM C26:1
SM 18:1;O2/26:1
ME153508
-
-
-
-
SM (OH) C14:1
SM 18:1;O2/14:1;O
ME153494
-
-
-
-
SM (OH) C16:1
SM 18:1;O2/16:1;O
ME153495
-
-
-
-
SM (OH) C22:1
SM 18:1;O2/22:1;O
ME153496
-
-
-
-
SM (OH) C22:2
SM 18:1;O2/22:2;O
ME153497
-
-
-
-
SM (OH) C24:1
SM 18:1;O2/24:1;O
ME153498
-
-
-
-
Spermidine
Spermidine
ME153399
-
-
-
-
Spermine
Spermine
ME153400
-
-
-
-
t4-OH-Pro
trans-4-Hydroxyproline
ME153401
-
-
-
-
Taurine
Taurine
ME153402
-
-
-
-
Thr
Threonine
ME153379
-
-
-
-
total DMA
Dimethylarginine
ME153403
-
-
-
-
Trp
Tryptophan
ME153380
-
-
-
-
Tyr
Tyrosine
ME153381
-
-
-
-
Val
Valine
ME153382
-
-
-
-
UCSD Metabolomics Workbench, a resource sponsored by the Common Fund of the National Institutes of Health
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