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Analysis: CE-MS POSITIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID
PubChem
Compound_ID
Kegg Id Retention
time/index
m/z ratio
1-Aminocyclopropane-1-carboxylic acid_M+01-Aminocyclopropanecarboxylic acidME277791-C01234-102.0550
1-Aminocyclopropane-1-carboxylic acid_M+11-Aminocyclopropanecarboxylic acidME277792-C01234-103.058305
1-Aminocyclopropane-1-carboxylic acid_M+21-Aminocyclopropanecarboxylic acidME277793-C01234-104.061655
1-Aminocyclopropane-1-carboxylic acid_M+31-Aminocyclopropanecarboxylic acidME277794-C01234-105.065005
1-Aminocyclopropane-1-carboxylic acid_M+41-Aminocyclopropanecarboxylic acidME277795-C01234-106.068355
1-Methylnicotinamide_M+01-Methyl nicotinamideME277845-C02918-137.0709
1-Methylnicotinamide_M+11-Methyl nicotinamideME277846-C02918-138.074289
1-Methylnicotinamide_M+21-Methyl nicotinamideME277847-C02918-139.077639
1-Methylnicotinamide_M+31-Methyl nicotinamideME277848-C02918-140.080989
1-Methylnicotinamide_M+41-Methyl nicotinamideME277849-C02918-141.084339
1-Methylnicotinamide_M+51-Methyl nicotinamideME277850-C02918-142.087689
1-Methylnicotinamide_M+61-Methyl nicotinamideME277851-C02918-143.091039
1-Methylnicotinamide_M+71-Methyl nicotinamideME277852-C02918-144.094389
2-Aminoadipic acid_M+0alpha-Aminoadipic acidME278106-C00956-162.0761
2-Aminoadipic acid_M+1alpha-Aminoadipic acidME278107-C00956-163.079435
2-Aminoadipic acid_M+2alpha-Aminoadipic acidME278108-C00956-164.082785
2-Aminoadipic acid_M+3alpha-Aminoadipic acidME278109-C00956-165.086135
2-Aminoadipic acid_M+4alpha-Aminoadipic acidME278110-C00956-166.089485
2-Aminoadipic acid_M+5alpha-Aminoadipic acidME278111-C00956-167.092835
2-Aminoadipic acid_M+6alpha-Aminoadipic acidME278112-C00956-168.096185
3-AP-ME277724---87.091674
4-Guanidinobutyric acid_M+04-Guanidinobutanoic acidME277887-C01035-146.0924
4-Guanidinobutyric acid_M+14-Guanidinobutanoic acidME277888-C01035-147.095753
4-Guanidinobutyric acid_M+24-Guanidinobutanoic acidME277889-C01035-148.099103
4-Guanidinobutyric acid_M+34-Guanidinobutanoic acidME277890-C01035-149.102453
4-Guanidinobutyric acid_M+44-Guanidinobutanoic acidME277891-C01035-150.105803
4-Guanidinobutyric acid_M+54-Guanidinobutanoic acidME277892-C01035-151.109153
5-Amino-4-oxovaleric acid_M+05-Amino-levulinic acidME277871-C00430-132.0655
5-Amino-4-oxovaleric acid_M+15-Amino-levulinic acidME277872-C00430-133.06887
5-Amino-4-oxovaleric acid_M+25-Amino-levulinic acidME277873-C00430-134.07222
5-Amino-4-oxovaleric acid_M+35-Amino-levulinic acidME277874-C00430-135.07557
5-Amino-4-oxovaleric acid_M+45-Amino-levulinic acidME277875-C00430-136.07892
5-Amino-4-oxovaleric acid_M+55-Amino-levulinic acidME277876-C00430-137.08227
5-Aminovaleric acid_M+05-Aminopentanoic acidME277877-C00431-118.0863
5-Aminovaleric acid_M+15-Aminopentanoic acidME277878-C00431-119.089605
5-Aminovaleric acid_M+25-Aminopentanoic acidME277879-C00431-120.092955
5-Aminovaleric acid_M+35-Aminopentanoic acidME277880-C00431-121.096305
5-Aminovaleric acid_M+45-Aminopentanoic acidME277881-C00431-122.099655
5-Aminovaleric acid_M+55-Aminopentanoic acidME277882-C00431-123.103005
5'-Deoxy-5'-methylthioadenosine_M+05'-MethylthioadenosineME278032-C00170-298.0968
5'-Deoxy-5'-methylthioadenosine_M+15'-MethylthioadenosineME278033-C00170-299.100188
5'-Deoxy-5'-methylthioadenosine_M+105'-MethylthioadenosineME278042-C00170-308.130338
5'-Deoxy-5'-methylthioadenosine_M+115'-MethylthioadenosineME278043-C00170-309.133688
5'-Deoxy-5'-methylthioadenosine_M+25'-MethylthioadenosineME278034-C00170-300.103538
5'-Deoxy-5'-methylthioadenosine_M+35'-MethylthioadenosineME278035-C00170-301.106888
5'-Deoxy-5'-methylthioadenosine_M+45'-MethylthioadenosineME278036-C00170-302.110238
5'-Deoxy-5'-methylthioadenosine_M+55'-MethylthioadenosineME278037-C00170-303.113588
5'-Deoxy-5'-methylthioadenosine_M+65'-MethylthioadenosineME278038-C00170-304.116938
5'-Deoxy-5'-methylthioadenosine_M+75'-MethylthioadenosineME278039-C00170-305.120288
5'-Deoxy-5'-methylthioadenosine_M+85'-MethylthioadenosineME278040-C00170-306.123638
5'-Deoxy-5'-methylthioadenosine_M+95'-MethylthioadenosineME278041-C00170-307.126988
Adenine_M+0AdenineME277860-C00147-136.0618
Adenine_M+1AdenineME277861-C00147-137.065121
Adenine_M+2AdenineME277862-C00147-138.068471
Adenine_M+3AdenineME277863-C00147-139.071821
Adenine_M+4AdenineME277864-C00147-140.075171
Adenine_M+5AdenineME277865-C00147-141.078521
Adenosine_M+0AdenosineME277992-C00212-268.1040
Adenosine_M+1AdenosineME277993-C00212-269.107381
Adenosine_M+10AdenosineME278002-C00212-278.137531
Adenosine_M+2AdenosineME277994-C00212-270.110731
Adenosine_M+3AdenosineME277995-C00212-271.114081
Adenosine_M+4AdenosineME277996-C00212-272.117431
Adenosine_M+5AdenosineME277997-C00212-273.120781
Adenosine_M+6AdenosineME277998-C00212-274.124131
Adenosine_M+7AdenosineME277999-C00212-275.127481
Adenosine_M+8AdenosineME278000-C00212-276.130831
Adenosine_M+9AdenosineME278001-C00212-277.134181
Ala_M+0AlanineME277961-C00041,C00133,C01401-90.0550
Ala_M+1AlanineME277962-C00041,C00133,C01401-91.058305
Ala_M+2AlanineME277963-C00041,C00133,C01401-92.061655
Ala_M+3AlanineME277964-C00041,C00133,C01401-93.065005
Argininosuccinic acid_M+0Argininosuccinic acidME277981-C03406-291.1299
Argininosuccinic acid_M+1Argininosuccinic acidME277982-C03406-292.13325
Argininosuccinic acid_M+10Argininosuccinic acidME277991-C03406-301.1634
Argininosuccinic acid_M+2Argininosuccinic acidME277983-C03406-293.1366
Argininosuccinic acid_M+3Argininosuccinic acidME277984-C03406-294.13995
Argininosuccinic acid_M+4Argininosuccinic acidME277985-C03406-295.1433
Argininosuccinic acid_M+5Argininosuccinic acidME277986-C03406-296.14665
Argininosuccinic acid_M+6Argininosuccinic acidME277987-C03406-297.15
Argininosuccinic acid_M+7Argininosuccinic acidME277988-C03406-298.15335
Argininosuccinic acid_M+8Argininosuccinic acidME277989-C03406-299.1567
Argininosuccinic acid_M+9Argininosuccinic acidME277990-C03406-300.16005
Arg_M+0ArginineME277812-C00062,C00792-175.1190
Arg_M+1ArginineME277813-C00062,C00792-176.122302
Arg_M+2ArginineME277814-C00062,C00792-177.125652
Arg_M+3ArginineME277815-C00062,C00792-178.129002
Arg_M+4ArginineME277816-C00062,C00792-179.132352
Arg_M+5ArginineME277817-C00062,C00792-180.135702
Arg_M+6ArginineME277818-C00062,C00792-181.139052
Asn_M+0AsparagineME278058-C00152,C01905,C16438-133.0608
Asn_M+1AsparagineME278059-C00152,C01905,C16438-134.064119
Asn_M+2AsparagineME278060-C00152,C01905,C16438-135.067469
Asn_M+3AsparagineME278061-C00152,C01905,C16438-136.070819
Asn_M+4AsparagineME278062-C00152,C01905,C16438-137.074169
Asp_M+0Aspartic acidME278162-C00049,C00402,C16433-134.0448
Asp_M+1Aspartic acidME278163-C00049,C00402,C16433-135.048135
Asp_M+2Aspartic acidME278164-C00049,C00402,C16433-136.051485
Asp_M+3Aspartic acidME278165-C00049,C00402,C16433-137.054835
Asp_M+4Aspartic acidME278166-C00049,C00402,C16433-138.058185
Betaine_M+0BetaineME278142-C00719-118.0863
Betaine_M+1BetaineME278143-C00719-119.089605
Betaine_M+2BetaineME278144-C00719-120.092955
Betaine_M+3BetaineME278145-C00719-121.096305
Betaine_M+4BetaineME278146-C00719-122.099655
Betaine_M+5BetaineME278147-C00719-123.103005
Carnitine_M+0CarnitineME277908-C00318,C00487,C15025-162.1125
Carnitine_M+1CarnitineME277909-C00318,C00487,C15025-163.11582
Carnitine_M+2CarnitineME277910-C00318,C00487,C15025-164.11917
Carnitine_M+3CarnitineME277911-C00318,C00487,C15025-165.12252
Carnitine_M+4CarnitineME277912-C00318,C00487,C15025-166.12587
Carnitine_M+5CarnitineME277913-C00318,C00487,C15025-167.12922
Carnitine_M+6CarnitineME277914-C00318,C00487,C15025-168.13257
Carnitine_M+7CarnitineME277915-C00318,C00487,C15025-169.13592
Choline_M+0CholineME277778-C00114-104.107
Choline_M+1CholineME277779-C00114-105.11034
Choline_M+2CholineME277780-C00114-106.11369
Choline_M+3CholineME277781-C00114-107.11704
Choline_M+4CholineME277782-C00114-108.12039
Choline_M+5CholineME277783-C00114-109.12374
Citrulline_M+0CitrullineME278125-C00327-176.1030
Citrulline_M+1CitrullineME278126-C00327-177.106318
Citrulline_M+2CitrullineME278127-C00327-178.109668
Citrulline_M+3CitrullineME278128-C00327-179.113018
Citrulline_M+4CitrullineME278129-C00327-180.116368
Citrulline_M+5CitrullineME278130-C00327-181.119718
Citrulline_M+6CitrullineME278131-C00327-182.123068
Creatine_M+0CreatineME277956-C00300-132.0768
Creatine_M+1CreatineME277957-C00300-133.080103
Creatine_M+2CreatineME277958-C00300-134.083453
Creatine_M+3CreatineME277959-C00300-135.086803
Creatine_M+4CreatineME277960-C00300-136.090153
Creatinine_M+0CreatinineME277840-C00791-114.0662
Creatinine_M+1CreatinineME277841-C00791-115.069538
Creatinine_M+2CreatinineME277842-C00791-116.072888
Creatinine_M+3CreatinineME277843-C00791-117.076238
Creatinine_M+4CreatinineME277844-C00791-118.079588
Cys-Gly_M+0Cys-GlyME277975-C01419-179.0485
Cys-Gly_M+1Cys-GlyME277976-C01419-180.051841
Cys-Gly_M+2Cys-GlyME277977-C01419-181.055191
Cys-Gly_M+3Cys-GlyME277978-C01419-182.058541
Cys-Gly_M+4Cys-GlyME277979-C01419-183.061891
Cys-Gly_M+5Cys-GlyME277980-C01419-184.065241
Cys_M+0CysteineME278148-C00097,C00736,C00793-122.0270
Cys_M+1CysteineME278149-C00097,C00736,C00793-123.030377
Cys_M+2CysteineME278150-C00097,C00736,C00793-124.033727
Cys_M+3CysteineME278151-C00097,C00736,C00793-125.037077
Cystathionine_M+0CystathionineME278014-C00542,C02291-223.0747
Cystathionine_M+1CystathionineME278015-C00542,C02291-224.07805
Cystathionine_M+2CystathionineME278016-C00542,C02291-225.0814
Cystathionine_M+3CystathionineME278017-C00542,C02291-226.08475
Cystathionine_M+4CystathionineME278018-C00542,C02291-227.0881
Cystathionine_M+5CystathionineME278019-C00542,C02291-228.09145
Cystathionine_M+6CystathionineME278020-C00542,C02291-229.0948
Cystathionine_M+7CystathionineME278021-C00542,C02291-230.09815
DPADPAME278235---192.13829
GABA_M+0gamma-Aminobutyric acidME277866-C00334-104.0706
GABA_M+1gamma-Aminobutyric acidME277867-C00334-105.073955
GABA_M+2gamma-Aminobutyric acidME277868-C00334-106.077305
GABA_M+3gamma-Aminobutyric acidME277869-C00334-107.080655
GABA_M+4gamma-Aminobutyric acidME277870-C00334-108.084005
Gln_M+0GlutamineME278077-C00064,C00303,C00819-147.0764
Gln_M+1GlutamineME278078-C00064,C00303,C00819-148.079769
Gln_M+2GlutamineME278079-C00064,C00303,C00819-149.083119
Gln_M+3GlutamineME278080-C00064,C00303,C00819-150.086469
Gln_M+4GlutamineME278081-C00064,C00303,C00819-151.089819
Gln_M+5GlutamineME278082-C00064,C00303,C00819-152.093169
Glu-Glu_M+0Glu-GluME278089-C01425-277.1030
Glu-Glu_M+1Glu-GluME278090-C01425-278.106379
Glu-Glu_M+10Glu-GluME278099-C01425-287.136529
Glu-Glu_M+2Glu-GluME278091-C01425-279.109729
Glu-Glu_M+3Glu-GluME278092-C01425-280.113079
Glu-Glu_M+4Glu-GluME278093-C01425-281.116429
Glu-Glu_M+5Glu-GluME278094-C01425-282.119779
Glu-Glu_M+6Glu-GluME278095-C01425-283.123129
Glu-Glu_M+7Glu-GluME278096-C01425-284.126479
Glu-Glu_M+8Glu-GluME278097-C01425-285.129829
Glu-Glu_M+9Glu-GluME278098-C01425-286.133179
Glu_M+0Glutamic acidME278100-C00025,C00217,C00302-148.0604
Glu_M+1Glutamic acidME278101-C00025,C00217,C00302-149.063785
Glu_M+2Glutamic acidME278102-C00025,C00217,C00302-150.067135
Glu_M+3Glutamic acidME278103-C00025,C00217,C00302-151.070485
Glu_M+4Glutamic acidME278104-C00025,C00217,C00302-152.073835
Glu_M+5Glutamic acidME278105-C00025,C00217,C00302-153.077185
Glutathione (GSH)_M+0GlutathioneME278204-C00051-308.0911
Glutathione (GSH)_M+1GlutathioneME278205-C00051-309.094435
Glutathione (GSH)_M+10GlutathioneME278214-C00051-318.124585
Glutathione (GSH)_M+2GlutathioneME278206-C00051-310.097785
Glutathione (GSH)_M+3GlutathioneME278207-C00051-311.101135
Glutathione (GSH)_M+4GlutathioneME278208-C00051-312.104485
Glutathione (GSH)_M+5GlutathioneME278209-C00051-313.107835
Glutathione (GSH)_M+6GlutathioneME278210-C00051-314.111185
Glutathione (GSH)_M+7GlutathioneME278211-C00051-315.114535
Glutathione (GSH)_M+8GlutathioneME278212-C00051-316.117885
Glutathione (GSH)_M+9GlutathioneME278213-C00051-317.121235
Glutathione (GSSG)_divalent_M+0Oxidized glutathioneME278174-C00127-307.0833
Glutathione (GSSG)_divalent_M+1Oxidized glutathioneME278175-C00127-308.08661
Glutathione (GSSG)_divalent_M+10Oxidized glutathioneME278184-C00127-317.11676
Glutathione (GSSG)_divalent_M+11Oxidized glutathioneME278185-C00127-318.12011
Glutathione (GSSG)_divalent_M+12Oxidized glutathioneME278186-C00127-319.12346
Glutathione (GSSG)_divalent_M+13Oxidized glutathioneME278187-C00127-320.12681
Glutathione (GSSG)_divalent_M+14Oxidized glutathioneME278188-C00127-321.13016
Glutathione (GSSG)_divalent_M+15Oxidized glutathioneME278189-C00127-322.13351
Glutathione (GSSG)_divalent_M+16Oxidized glutathioneME278190-C00127-323.13686
Glutathione (GSSG)_divalent_M+17Oxidized glutathioneME278191-C00127-324.14021
Glutathione (GSSG)_divalent_M+18Oxidized glutathioneME278192-C00127-325.14356
Glutathione (GSSG)_divalent_M+19Oxidized glutathioneME278193-C00127-326.14691
Glutathione (GSSG)_divalent_M+2Oxidized glutathioneME278176-C00127-309.08996
Glutathione (GSSG)_divalent_M+20Oxidized glutathioneME278194-C00127-327.15026
Glutathione (GSSG)_divalent_M+3Oxidized glutathioneME278177-C00127-310.09331
Glutathione (GSSG)_divalent_M+4Oxidized glutathioneME278178-C00127-311.09666
Glutathione (GSSG)_divalent_M+5Oxidized glutathioneME278179-C00127-312.10001
Glutathione (GSSG)_divalent_M+6Oxidized glutathioneME278180-C00127-313.10336
Glutathione (GSSG)_divalent_M+7Oxidized glutathioneME278181-C00127-314.10671
Glutathione (GSSG)_divalent_M+8Oxidized glutathioneME278182-C00127-315.11006
Glutathione (GSSG)_divalent_M+9Oxidized glutathioneME278183-C00127-316.11341
Glycerophosphocholine_M+0sn-Glycero-3-phosphocholineME278226-C00670-258.1101
Glycerophosphocholine_M+1sn-Glycero-3-phosphocholineME278227-C00670-259.113453
Glycerophosphocholine_M+2sn-Glycero-3-phosphocholineME278228-C00670-260.116803
Glycerophosphocholine_M+3sn-Glycero-3-phosphocholineME278229-C00670-261.120153
Glycerophosphocholine_M+4sn-Glycero-3-phosphocholineME278230-C00670-262.123503
Glycerophosphocholine_M+5sn-Glycero-3-phosphocholineME278231-C00670-263.126853
Glycerophosphocholine_M+6sn-Glycero-3-phosphocholineME278232-C00670-264.130203
Glycerophosphocholine_M+7sn-Glycero-3-phosphocholineME278233-C00670-265.133553
Glycerophosphocholine_M+8sn-Glycero-3-phosphocholineME278234-C00670-266.136903
Gly-Gly_M+0Gly-GlyME277896-C02037-133.0608
Gly-Gly_M+1Gly-GlyME277897-C02037-134.064119
Gly-Gly_M+2Gly-GlyME277898-C02037-135.067469
Gly-Gly_M+3Gly-GlyME277899-C02037-136.070819
Gly-Gly_M+4Gly-GlyME277900-C02037-137.074169
Gly_M+0GlycineME277893-C00037-76.0393
Gly_M+1GlycineME277894-C00037-77.042655
Gly_M+2GlycineME277895-C00037-78.046005
Guanidoacetic acid_M+0Guanidoacetic acidME277883-C00581-118.0611
Guanidoacetic acid_M+1Guanidoacetic acidME277884-C00581-119.064453
Guanidoacetic acid_M+2Guanidoacetic acidME277885-C00581-120.067803
Guanidoacetic acid_M+3Guanidoacetic acidME277886-C00581-121.071153
His_M+0HistidineME277829-C00135,C00768,C06419-156.0768
His_M+1HistidineME277830-C00135,C00768,C06419-157.080103
His_M+2HistidineME277831-C00135,C00768,C06419-158.083453
His_M+3HistidineME277832-C00135,C00768,C06419-159.086803
His_M+4HistidineME277833-C00135,C00768,C06419-160.090153
His_M+5HistidineME277834-C00135,C00768,C06419-161.093503
His_M+6HistidineME277835-C00135,C00768,C06419-162.096853
Hypotaurine_M+0HypotaurineME278215-C00519-110.0270
Hypotaurine_M+1HypotaurineME278216-C00519-111.030377
Hypotaurine_M+2HypotaurineME278217-C00519-112.033727
Ile_M+0IsoleucineME278044-C00407,C06418,C16434-132.1019
Ile_M+1IsoleucineME278045-C00407,C06418,C16434-133.105255
Ile_M+2IsoleucineME278046-C00407,C06418,C16434-134.108605
Ile_M+3IsoleucineME278047-C00407,C06418,C16434-135.111955
Ile_M+4IsoleucineME278048-C00407,C06418,C16434-136.115305
Ile_M+5IsoleucineME278049-C00407,C06418,C16434-137.118655
Ile_M+6IsoleucineME278050-C00407,C06418,C16434-138.122005
IS_Methionine sulfone-ME278167---182.048157
Kynurenine_M+0KynurenineME278003-C00328,C01718-209.0921
Kynurenine_M+1KynurenineME278004-C00328,C01718-210.095419
Kynurenine_M+10KynurenineME278013-C00328,C01718-219.125569
Kynurenine_M+2KynurenineME278005-C00328,C01718-211.098769
Kynurenine_M+3KynurenineME278006-C00328,C01718-212.102119
Kynurenine_M+4KynurenineME278007-C00328,C01718-213.105469
Kynurenine_M+5KynurenineME278008-C00328,C01718-214.108819
Kynurenine_M+6KynurenineME278009-C00328,C01718-215.112169
Kynurenine_M+7KynurenineME278010-C00328,C01718-216.115519
Kynurenine_M+8KynurenineME278011-C00328,C01718-217.118869
Kynurenine_M+9KynurenineME278012-C00328,C01718-218.122219
Leu_M+0LeucineME278051-C00123,C01570,C16439-132.1019
Leu_M+1LeucineME278052-C00123,C01570,C16439-133.105255
Leu_M+2LeucineME278053-C00123,C01570,C16439-134.108605
Leu_M+3LeucineME278054-C00123,C01570,C16439-135.111955
Leu_M+4LeucineME278055-C00123,C01570,C16439-136.115305
Leu_M+5LeucineME278056-C00123,C01570,C16439-137.118655
Leu_M+6LeucineME278057-C00123,C01570,C16439-138.122005
Lys_M+0LysineME277784-C00047,C00739,C16440-147.1128
Lys_M+1LysineME277785-C00047,C00739,C16440-148.116154
Lys_M+2LysineME277786-C00047,C00739,C16440-149.119504
Lys_M+3LysineME277787-C00047,C00739,C16440-150.122854
Lys_M+4LysineME277788-C00047,C00739,C16440-151.126204
Lys_M+5LysineME277789-C00047,C00739,C16440-152.129554
Lys_M+6LysineME277790-C00047,C00739,C16440-153.132904
N6,N6,N6-Trimethyllysine_M+0N-6-TrimethyllysineME277819-C03793-189.1598
N6,N6,N6-Trimethyllysine_M+1N-6-TrimethyllysineME277820-C03793-190.163104
N6,N6,N6-Trimethyllysine_M+2N-6-TrimethyllysineME277821-C03793-191.166454
N6,N6,N6-Trimethyllysine_M+3N-6-TrimethyllysineME277822-C03793-192.169804
N6,N6,N6-Trimethyllysine_M+4N-6-TrimethyllysineME277823-C03793-193.173154
N6,N6,N6-Trimethyllysine_M+5N-6-TrimethyllysineME277824-C03793-194.176504
N6,N6,N6-Trimethyllysine_M+6N-6-TrimethyllysineME277825-C03793-195.179854
N6,N6,N6-Trimethyllysine_M+7N-6-TrimethyllysineME277826-C03793-196.183204
N6,N6,N6-Trimethyllysine_M+8N-6-TrimethyllysineME277827-C03793-197.186554
N6,N6,N6-Trimethyllysine_M+9N-6-TrimethyllysineME277828-C03793-198.189904
N8-Acetylspermidine_M+0N8-AcetylspermidineME277749-C01029-188.1757
N8-Acetylspermidine_M+1N8-AcetylspermidineME277750-C01029-189.179088
N8-Acetylspermidine_M+2N8-AcetylspermidineME277751-C01029-190.182438
N8-Acetylspermidine_M+3N8-AcetylspermidineME277752-C01029-191.185788
N8-Acetylspermidine_M+4N8-AcetylspermidineME277753-C01029-192.189138
N8-Acetylspermidine_M+5N8-AcetylspermidineME277754-C01029-193.192488
N8-Acetylspermidine_M+6N8-AcetylspermidineME277755-C01029-194.195838
N8-Acetylspermidine_M+7N8-AcetylspermidineME277756-C01029-195.199188
N8-Acetylspermidine_M+8N8-AcetylspermidineME277757-C01029-196.202538
N8-Acetylspermidine_M+9N8-AcetylspermidineME277758-C01029-197.205888
N-Acetylputrescine_M+0N-AcetylputrescineME277901-C02714-131.1179
N-Acetylputrescine_M+1N-AcetylputrescineME277902-C02714-132.121239
N-Acetylputrescine_M+2N-AcetylputrescineME277903-C02714-133.124589
N-Acetylputrescine_M+3N-AcetylputrescineME277904-C02714-134.127939
N-Acetylputrescine_M+4N-AcetylputrescineME277905-C02714-135.131289
N-Acetylputrescine_M+5N-AcetylputrescineME277906-C02714-136.134639
N-Acetylputrescine_M+6N-AcetylputrescineME277907-C02714-137.137989
Nicotinamide_M+0NiacinamideME277853-C00153-123.0553
Nicotinamide_M+1NiacinamideME277854-C00153-124.058639
Nicotinamide_M+2NiacinamideME277855-C00153-125.061989
Nicotinamide_M+3NiacinamideME277856-C00153-126.065339
Nicotinamide_M+4NiacinamideME277857-C00153-127.068689
Nicotinamide_M+5NiacinamideME277858-C00153-128.072039
Nicotinamide_M+6NiacinamideME277859-C00153-129.075389
O-Acetylcarnitine_M+0CAR 2:0ME277965-C02571-204.1230
O-Acetylcarnitine_M+1CAR 2:0ME277966-C02571-205.126385
O-Acetylcarnitine_M+2CAR 2:0ME277967-C02571-206.129735
O-Acetylcarnitine_M+3CAR 2:0ME277968-C02571-207.133085
O-Acetylcarnitine_M+4CAR 2:0ME277969-C02571-208.136435
O-Acetylcarnitine_M+5CAR 2:0ME277970-C02571-209.139785
O-Acetylcarnitine_M+6CAR 2:0ME277971-C02571-210.143135
O-Acetylcarnitine_M+7CAR 2:0ME277972-C02571-211.146485
O-Acetylcarnitine_M+8CAR 2:0ME277973-C02571-212.149835
O-Acetylcarnitine_M+9CAR 2:0ME277974-C02571-213.153185
Ornithine_M+0OrnithineME277772-C00077,C00515,C01602-133.0972
Ornithine_M+1OrnithineME277773-C00077,C00515,C01602-134.100504
Ornithine_M+2OrnithineME277774-C00077,C00515,C01602-135.103854
Ornithine_M+3OrnithineME277775-C00077,C00515,C01602-136.107204
Ornithine_M+4OrnithineME277776-C00077,C00515,C01602-137.110554
Ornithine_M+5OrnithineME277777-C00077,C00515,C01602-138.113904
Phe_M+0PhenylalanineME278132-C00079,C02057,C02265-166.0863
Phe_M+1PhenylalanineME278133-C00079,C02057,C02265-167.089605
Phe_M+2PhenylalanineME278134-C00079,C02057,C02265-168.092955
Phe_M+3PhenylalanineME278135-C00079,C02057,C02265-169.096305
Phe_M+4PhenylalanineME278136-C00079,C02057,C02265-170.099655
Phe_M+5PhenylalanineME278137-C00079,C02057,C02265-171.103005
Phe_M+6PhenylalanineME278138-C00079,C02057,C02265-172.106355
Phe_M+7PhenylalanineME278139-C00079,C02057,C02265-173.109705
Phe_M+8PhenylalanineME278140-C00079,C02057,C02265-174.113055
Phe_M+9PhenylalanineME278141-C00079,C02057,C02265-175.116405
Phosphorylcholine_M+0Choline phosphateME278218-C00588-184.0733
Phosphorylcholine_M+1Choline phosphateME278219-C00588-185.076673
Phosphorylcholine_M+2Choline phosphateME278220-C00588-186.080023
Phosphorylcholine_M+3Choline phosphateME278221-C00588-187.083373
Phosphorylcholine_M+4Choline phosphateME278222-C00588-188.086723
Phosphorylcholine_M+5Choline phosphateME278223-C00588-189.090073
Pro_M+0ProlineME278083-C00148,C00763,C16435-116.0706
Pro_M+1ProlineME278084-C00148,C00763,C16435-117.073955
Pro_M+2ProlineME278085-C00148,C00763,C16435-118.077305
Pro_M+3ProlineME278086-C00148,C00763,C16435-119.080655
Pro_M+4ProlineME278087-C00148,C00763,C16435-120.084005
Pro_M+5ProlineME278088-C00148,C00763,C16435-121.087355
Putrescine_M+0PutrescineME277744-C00134-89.1073
Putrescine_M+1PutrescineME277745-C00134-90.110674
Putrescine_M+2PutrescineME277746-C00134-91.114024
Putrescine_M+3PutrescineME277747-C00134-92.117374
Putrescine_M+4PutrescineME277748-C00134-93.120724
Pyridoxal_M+0PyridoxalME277947-C00250-168.0655
Pyridoxal_M+1PyridoxalME277948-C00250-169.06887
Pyridoxal_M+2PyridoxalME277949-C00250-170.07222
Pyridoxal_M+3PyridoxalME277950-C00250-171.07557
Pyridoxal_M+4PyridoxalME277951-C00250-172.07892
Pyridoxal_M+5PyridoxalME277952-C00250-173.08227
Pyridoxal_M+6PyridoxalME277953-C00250-174.08562
Pyridoxal_M+7PyridoxalME277954-C00250-175.08897
Pyridoxal_M+8PyridoxalME277955-C00250-176.09232
Pyridoxamine 5'-phosphate_M+0Pyridoxamine 5'-phosphateME278063-C00647-249.0635
Pyridoxamine 5'-phosphate_M+1Pyridoxamine 5'-phosphateME278064-C00647-250.066837
Pyridoxamine 5'-phosphate_M+2Pyridoxamine 5'-phosphateME278065-C00647-251.070187
Pyridoxamine 5'-phosphate_M+3Pyridoxamine 5'-phosphateME278066-C00647-252.073537
Pyridoxamine 5'-phosphate_M+4Pyridoxamine 5'-phosphateME278067-C00647-253.076887
Pyridoxamine 5'-phosphate_M+5Pyridoxamine 5'-phosphateME278068-C00647-254.080237
Pyridoxamine 5'-phosphate_M+6Pyridoxamine 5'-phosphateME278069-C00647-255.083587
Pyridoxamine 5'-phosphate_M+7Pyridoxamine 5'-phosphateME278070-C00647-256.086937
Pyridoxamine 5'-phosphate_M+8Pyridoxamine 5'-phosphateME278071-C00647-257.090287
Pyridoxine_M+0PyridoxineME277916-C00314-170.0812
Pyridoxine_M+1PyridoxineME277917-C00314-171.08452
Pyridoxine_M+2PyridoxineME277918-C00314-172.08787
Pyridoxine_M+3PyridoxineME277919-C00314-173.09122
Pyridoxine_M+4PyridoxineME277920-C00314-174.09457
Pyridoxine_M+5PyridoxineME277921-C00314-175.09792
Pyridoxine_M+6PyridoxineME277922-C00314-176.10127
Pyridoxine_M+7PyridoxineME277923-C00314-177.10462
Pyridoxine_M+8PyridoxineME277924-C00314-178.10797
S-Adenosylhomocysteine_M+0S-AdenosylhomocysteineME277925-C00021-385.1289
S-Adenosylhomocysteine_M+1S-AdenosylhomocysteineME277926-C00021-386.132217
S-Adenosylhomocysteine_M+10S-AdenosylhomocysteineME277935-C00021-395.162367
S-Adenosylhomocysteine_M+11S-AdenosylhomocysteineME277936-C00021-396.165717
S-Adenosylhomocysteine_M+12S-AdenosylhomocysteineME277937-C00021-397.169067
S-Adenosylhomocysteine_M+13S-AdenosylhomocysteineME277938-C00021-398.172417
S-Adenosylhomocysteine_M+14S-AdenosylhomocysteineME277939-C00021-399.175767
S-Adenosylhomocysteine_M+2S-AdenosylhomocysteineME277927-C00021-387.135567
S-Adenosylhomocysteine_M+3S-AdenosylhomocysteineME277928-C00021-388.138917
S-Adenosylhomocysteine_M+4S-AdenosylhomocysteineME277929-C00021-389.142267
S-Adenosylhomocysteine_M+5S-AdenosylhomocysteineME277930-C00021-390.145617
S-Adenosylhomocysteine_M+6S-AdenosylhomocysteineME277931-C00021-391.148967
S-Adenosylhomocysteine_M+7S-AdenosylhomocysteineME277932-C00021-392.152317
S-Adenosylhomocysteine_M+8S-AdenosylhomocysteineME277933-C00021-393.155667
S-Adenosylhomocysteine_M+9S-AdenosylhomocysteineME277934-C00021-394.159017
S-Adenosylmethionine_M+0S-AdenosylmethionineME277796-C00019-399.1445
S-Adenosylmethionine_M+1S-AdenosylmethionineME277797-C00019-400.147867
S-Adenosylmethionine_M+10S-AdenosylmethionineME277806-C00019-409.178017
S-Adenosylmethionine_M+11S-AdenosylmethionineME277807-C00019-410.181367
S-Adenosylmethionine_M+12S-AdenosylmethionineME277808-C00019-411.184717
S-Adenosylmethionine_M+13S-AdenosylmethionineME277809-C00019-412.188067
S-Adenosylmethionine_M+14S-AdenosylmethionineME277810-C00019-413.191417
S-Adenosylmethionine_M+15S-AdenosylmethionineME277811-C00019-414.194767
S-Adenosylmethionine_M+2S-AdenosylmethionineME277798-C00019-401.151217
S-Adenosylmethionine_M+3S-AdenosylmethionineME277799-C00019-402.154567
S-Adenosylmethionine_M+4S-AdenosylmethionineME277800-C00019-403.157917
S-Adenosylmethionine_M+5S-AdenosylmethionineME277801-C00019-404.161267
S-Adenosylmethionine_M+6S-AdenosylmethionineME277802-C00019-405.164617
S-Adenosylmethionine_M+7S-AdenosylmethionineME277803-C00019-406.167967
S-Adenosylmethionine_M+8S-AdenosylmethionineME277804-C00019-407.171317
S-Adenosylmethionine_M+9S-AdenosylmethionineME277805-C00019-408.174667
Ser_M+0SerineME278022-C00065,C00716,C00740-106.0499
Ser_M+1SerineME278023-C00065,C00716,C00740-107.05322
Ser_M+2SerineME278024-C00065,C00716,C00740-108.05657
Ser_M+3SerineME278025-C00065,C00716,C00740-109.05992
Spermidine_M+0SpermidineME277736-C00315-146.1652
Spermidine_M+1SpermidineME277737-C00315-147.168523
Spermidine_M+2SpermidineME277738-C00315-148.171873
Spermidine_M+3SpermidineME277739-C00315-149.175223
Spermidine_M+4SpermidineME277740-C00315-150.178573
Spermidine_M+5SpermidineME277741-C00315-151.181923
Spermidine_M+6SpermidineME277742-C00315-152.185273
Spermidine_M+7SpermidineME277743-C00315-153.188623
Spermine_M+0SpermineME277725-C00750-203.2230
Spermine_M+1SpermineME277726-C00750-204.226372
Spermine_M+10SpermineME277735-C00750-213.256522
Spermine_M+2SpermineME277727-C00750-205.229722
Spermine_M+3SpermineME277728-C00750-206.233072
Spermine_M+4SpermineME277729-C00750-207.236422
Spermine_M+5SpermineME277730-C00750-208.239772
Spermine_M+6SpermineME277731-C00750-209.243122
Spermine_M+7SpermineME277732-C00750-210.246472
Spermine_M+8SpermineME277733-C00750-211.249822
Spermine_M+9SpermineME277734-C00750-212.253172
Taurine_M+0TaurineME278236-C00245-126.0219
Taurine_M+1TaurineME278237-C00245-127.025292
Taurine_M+2TaurineME278238-C00245-128.028642
Thiamine_M+0ThiamineME277759-C00378-265.1123
Thiamine_M+1ThiamineME277760-C00378-266.115658
Thiamine_M+10ThiamineME277769-C00378-275.145808
Thiamine_M+11ThiamineME277770-C00378-276.149158
Thiamine_M+12ThiamineME277771-C00378-277.152508
Thiamine_M+2ThiamineME277761-C00378-267.119008
Thiamine_M+3ThiamineME277762-C00378-268.122358
Thiamine_M+4ThiamineME277763-C00378-269.125708
Thiamine_M+5ThiamineME277764-C00378-270.129058
Thiamine_M+6ThiamineME277765-C00378-271.132408
Thiamine_M+7ThiamineME277766-C00378-272.135758
Thiamine_M+8ThiamineME277767-C00378-273.139108
Thiamine_M+9ThiamineME277768-C00378-274.142458
Thr_M+0ThreonineME278072-C00188,C00820-120.0655
Thr_M+1ThreonineME278073-C00188,C00820-121.06887
Thr_M+2ThreonineME278074-C00188,C00820-122.07222
Thr_M+3ThreonineME278075-C00188,C00820-123.07557
Thr_M+4ThreonineME278076-C00188,C00820-124.07892
trans-4-Hydroxyproline_M+0trans-4-HydroxyprolineME278168-C01157-132.0655
trans-4-Hydroxyproline_M+1trans-4-HydroxyprolineME278169-C01157-133.06887
trans-4-Hydroxyproline_M+2trans-4-HydroxyprolineME278170-C01157-134.07222
trans-4-Hydroxyproline_M+3trans-4-HydroxyprolineME278171-C01157-135.07557
trans-4-Hydroxyproline_M+4trans-4-HydroxyprolineME278172-C01157-136.07892
trans-4-Hydroxyproline_M+5trans-4-HydroxyprolineME278173-C01157-137.08227
Trp_M+0TryptophanME278113-C00078,C00525,C00806-205.0972
Trp_M+1TryptophanME278114-C00078,C00525,C00806-206.100504
Trp_M+10TryptophanME278123-C00078,C00525,C00806-215.130654
Trp_M+11TryptophanME278124-C00078,C00525,C00806-216.134004
Trp_M+2TryptophanME278115-C00078,C00525,C00806-207.103854
Trp_M+3TryptophanME278116-C00078,C00525,C00806-208.107204
Trp_M+4TryptophanME278117-C00078,C00525,C00806-209.110554
Trp_M+5TryptophanME278118-C00078,C00525,C00806-210.113904
Trp_M+6TryptophanME278119-C00078,C00525,C00806-211.117254
Trp_M+7TryptophanME278120-C00078,C00525,C00806-212.120604
Trp_M+8TryptophanME278121-C00078,C00525,C00806-213.123954
Trp_M+9TryptophanME278122-C00078,C00525,C00806-214.127304
Tyr_M+0TyrosineME278152-C00082,C01536,C06420-182.0812
Tyr_M+1TyrosineME278153-C00082,C01536,C06420-183.08452
Tyr_M+2TyrosineME278154-C00082,C01536,C06420-184.08787
Tyr_M+3TyrosineME278155-C00082,C01536,C06420-185.09122
Tyr_M+4TyrosineME278156-C00082,C01536,C06420-186.09457
Tyr_M+5TyrosineME278157-C00082,C01536,C06420-187.09792
Tyr_M+6TyrosineME278158-C00082,C01536,C06420-188.10127
Tyr_M+7TyrosineME278159-C00082,C01536,C06420-189.10462
Tyr_M+8TyrosineME278160-C00082,C01536,C06420-190.10797
Tyr_M+9TyrosineME278161-C00082,C01536,C06420-191.11132
Urea_M+0UreaME278224-C00086-61.0396
Urea_M+1UreaME278225-C00086-62.042989
Val_M+0ValineME278026-C00183,C06417,C16436-118.0863
Val_M+1ValineME278027-C00183,C06417,C16436-119.089605
Val_M+2ValineME278028-C00183,C06417,C16436-120.092955
Val_M+3ValineME278029-C00183,C06417,C16436-121.096305
Val_M+4ValineME278030-C00183,C06417,C16436-122.099655
Val_M+5ValineME278031-C00183,C06417,C16436-123.103005
β-Ala_M+0beta-AlanineME277836-C00099-90.0550
β-Ala_M+1beta-AlanineME277837-C00099-91.058305
β-Ala_M+2beta-AlanineME277838-C00099-92.061655
β-Ala_M+3beta-AlanineME277839-C00099-93.065005
β-Leucine_M+0beta-LeucineME277940-C02486-132.1019
β-Leucine_M+1beta-LeucineME277941-C02486-133.105255
β-Leucine_M+2beta-LeucineME277942-C02486-134.108605
β-Leucine_M+3beta-LeucineME277943-C02486-135.111955
β-Leucine_M+4beta-LeucineME277944-C02486-136.115305
β-Leucine_M+5beta-LeucineME277945-C02486-137.118655
β-Leucine_M+6beta-LeucineME277946-C02486-138.122005
γ-Glu-Cys_M+0gamma-GlutamylcysteineME278195-C00669-251.0696
γ-Glu-Cys_M+1gamma-GlutamylcysteineME278196-C00669-252.072971
γ-Glu-Cys_M+2gamma-GlutamylcysteineME278197-C00669-253.076321
γ-Glu-Cys_M+3gamma-GlutamylcysteineME278198-C00669-254.079671
γ-Glu-Cys_M+4gamma-GlutamylcysteineME278199-C00669-255.083021
γ-Glu-Cys_M+5gamma-GlutamylcysteineME278200-C00669-256.086371
γ-Glu-Cys_M+6gamma-GlutamylcysteineME278201-C00669-257.089721
γ-Glu-Cys_M+7gamma-GlutamylcysteineME278202-C00669-258.093071
γ-Glu-Cys_M+8gamma-GlutamylcysteineME278203-C00669-259.096421


Analysis: CE-MS NEGATIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID
PubChem
Compound_ID
Kegg Id Retention
time/index
m/z ratio
2,3-Diphosphoglyceric acid_M+02,3-Diphosphoglyceric acidME279214-C01159-264.9520
2,3-Diphosphoglyceric acid_M+12,3-Diphosphoglyceric acidME279215-C01159-265.95535
2,3-Diphosphoglyceric acid_M+22,3-Diphosphoglyceric acidME279216-C01159-266.9587
2,3-Diphosphoglyceric acid_M+32,3-Diphosphoglyceric acidME279217-C01159-267.96205
2-Deoxyribose 1-phosphate_M+0Deoxyribose 1-phosphateME278934-C00672-213.0170
2-Deoxyribose 1-phosphate_M+1Deoxyribose 1-phosphateME278935-C00672-214.020317
2-Deoxyribose 1-phosphate_M+2Deoxyribose 1-phosphateME278936-C00672-215.023667
2-Deoxyribose 1-phosphate_M+3Deoxyribose 1-phosphateME278937-C00672-216.027017
2-Deoxyribose 1-phosphate_M+4Deoxyribose 1-phosphateME278938-C00672-217.030367
2-Deoxyribose 1-phosphate_M+5Deoxyribose 1-phosphateME278939-C00672-218.033717
2-Hydroxybutyric acid_M+02-Hydroxybutyric acidME278845-C05984-103.0401
2-Hydroxybutyric acid_M+12-Hydroxybutyric acidME278846-C05984-104.043419
2-Hydroxybutyric acid_M+22-Hydroxybutyric acidME278847-C05984-105.046769
2-Hydroxybutyric acid_M+32-Hydroxybutyric acidME278848-C05984-106.050119
2-Hydroxybutyric acid_M+42-Hydroxybutyric acidME278849-C05984-107.053469
2-Oxoglutaric acid_M+02-Oxoglutaric acidME279236-C00026-145.0142
2-Oxoglutaric acid_M+12-Oxoglutaric acidME279237-C00026-146.017599
2-Oxoglutaric acid_M+22-Oxoglutaric acidME279238-C00026-147.020949
2-Oxoglutaric acid_M+32-Oxoglutaric acidME279239-C00026-148.024299
2-Oxoglutaric acid_M+42-Oxoglutaric acidME279240-C00026-149.027649
2-Oxoglutaric acid_M+52-Oxoglutaric acidME279241-C00026-150.030999
3@4-Methyl-2-oxovaleric acid_M+03-Methyl-2-oxovaleric acidME278767-C00233-129.0557
3@4-Methyl-2-oxovaleric acid_M+13-Methyl-2-oxovaleric acidME278768-C00233-130.059069
3@4-Methyl-2-oxovaleric acid_M+23-Methyl-2-oxovaleric acidME278769-C00233-131.062419
3@4-Methyl-2-oxovaleric acid_M+33-Methyl-2-oxovaleric acidME278770-C00233-132.065769
3@4-Methyl-2-oxovaleric acid_M+43-Methyl-2-oxovaleric acidME278771-C00233-133.069119
3@4-Methyl-2-oxovaleric acid_M+53-Methyl-2-oxovaleric acidME278772-C00233-134.072469
3@4-Methyl-2-oxovaleric acid_M+63-Methyl-2-oxovaleric acidME278773-C00233-135.075819
3-Hydroxy-3-methylglutaric acid_M+03-Hydroxymethylglutaric acidME279188-C03761-161.0455
3-Hydroxy-3-methylglutaric acid_M+13-Hydroxymethylglutaric acidME279189-C03761-162.048899
3-Hydroxy-3-methylglutaric acid_M+23-Hydroxymethylglutaric acidME279190-C03761-163.052249
3-Hydroxy-3-methylglutaric acid_M+33-Hydroxymethylglutaric acidME279191-C03761-164.055599
3-Hydroxy-3-methylglutaric acid_M+43-Hydroxymethylglutaric acidME279192-C03761-165.058949
3-Hydroxy-3-methylglutaric acid_M+53-Hydroxymethylglutaric acidME279193-C03761-166.062299
3-Hydroxy-3-methylglutaric acid_M+63-Hydroxymethylglutaric acidME279194-C03761-167.065649
3-Hydroxybutyric acid_M+03-Hydroxybutyric acidME278796-C01089,C03197-103.0401
3-Hydroxybutyric acid_M+13-Hydroxybutyric acidME278797-C01089,C03197-104.043419
3-Hydroxybutyric acid_M+23-Hydroxybutyric acidME278798-C01089,C03197-105.046769
3-Hydroxybutyric acid_M+33-Hydroxybutyric acidME278799-C01089,C03197-106.050119
3-Hydroxybutyric acid_M+43-Hydroxybutyric acidME278800-C01089,C03197-107.053469
3-Phosphoglyceric acid_M+03-Phosphoglyceric acidME279218-C00197-184.9857
3-Phosphoglyceric acid_M+13-Phosphoglyceric acidME279219-C00197-185.989017
3-Phosphoglyceric acid_M+23-Phosphoglyceric acidME279220-C00197-186.992367
3-Phosphoglyceric acid_M+33-Phosphoglyceric acidME279221-C00197-187.995717
5-Aminoimidazole-4-carboxamide ribotide_M+0AICARME278751-C04677-337.0555
5-Aminoimidazole-4-carboxamide ribotide_M+1AICARME278752-C04677-338.058828
5-Aminoimidazole-4-carboxamide ribotide_M+2AICARME278753-C04677-339.062178
5-Aminoimidazole-4-carboxamide ribotide_M+3AICARME278754-C04677-340.065528
5-Aminoimidazole-4-carboxamide ribotide_M+4AICARME278755-C04677-341.068878
5-Aminoimidazole-4-carboxamide ribotide_M+5AICARME278756-C04677-342.072228
5-Aminoimidazole-4-carboxamide ribotide_M+6AICARME278757-C04677-343.075578
5-Aminoimidazole-4-carboxamide ribotide_M+7AICARME278758-C04677-344.078928
5-Aminoimidazole-4-carboxamide ribotide_M+8AICARME278759-C04677-345.082278
5-Aminoimidazole-4-carboxamide ribotide_M+9AICARME278760-C04677-346.085628
5-Oxohexanoic acid_M+05-Ketocaproic acidME278658-C02129-129.0557
5-Oxohexanoic acid_M+15-Ketocaproic acidME278659-C02129-130.059069
5-Oxohexanoic acid_M+25-Ketocaproic acidME278660-C02129-131.062419
5-Oxohexanoic acid_M+35-Ketocaproic acidME278661-C02129-132.065769
5-Oxohexanoic acid_M+45-Ketocaproic acidME278662-C02129-133.069119
5-Oxohexanoic acid_M+55-Ketocaproic acidME278663-C02129-134.072469
5-Oxohexanoic acid_M+65-Ketocaproic acidME278664-C02129-135.075819
5-Oxoproline_M+0Pyroglutamic acidME278761-C01879-128.0353
5-Oxoproline_M+1Pyroglutamic acidME278762-C01879-129.038668
5-Oxoproline_M+2Pyroglutamic acidME278763-C01879-130.042018
5-Oxoproline_M+3Pyroglutamic acidME278764-C01879-131.045368
5-Oxoproline_M+4Pyroglutamic acidME278765-C01879-132.048718
5-Oxoproline_M+5Pyroglutamic acidME278766-C01879-133.052068
6-Hydroxynicotinic acid_M+06-Hydroxynicotinic acidME278710-C01020-138.0197
6-Hydroxynicotinic acid_M+16-Hydroxynicotinic acidME278711-C01020-139.023018
6-Hydroxynicotinic acid_M+26-Hydroxynicotinic acidME278712-C01020-140.026368
6-Hydroxynicotinic acid_M+36-Hydroxynicotinic acidME278713-C01020-141.029718
6-Hydroxynicotinic acid_M+46-Hydroxynicotinic acidME278714-C01020-142.033068
6-Hydroxynicotinic acid_M+56-Hydroxynicotinic acidME278715-C01020-143.036418
6-Hydroxynicotinic acid_M+66-Hydroxynicotinic acidME278716-C01020-144.039768
6-Phosphogluconic acid_M+06-Phosphogluconic acidME279180-C00345-275.0174
6-Phosphogluconic acid_M+16-Phosphogluconic acidME279181-C00345-276.020712
6-Phosphogluconic acid_M+26-Phosphogluconic acidME279182-C00345-277.024062
6-Phosphogluconic acid_M+36-Phosphogluconic acidME279183-C00345-278.027412
6-Phosphogluconic acid_M+46-Phosphogluconic acidME279184-C00345-279.030762
6-Phosphogluconic acid_M+56-Phosphogluconic acidME279185-C00345-280.034112
6-Phosphogluconic acid_M+66-Phosphogluconic acidME279186-C00345-281.037462
ADP-glucose or GDP-fucose_M+0ADP-glucoseME278527-C00498-588.0750
ADP-glucose or GDP-fucose_M+1ADP-glucoseME278528-C00498-589.07832
ADP-glucose or GDP-fucose_M+10ADP-glucoseME278537-C00498-598.10847
ADP-glucose or GDP-fucose_M+11ADP-glucoseME278538-C00498-599.11182
ADP-glucose or GDP-fucose_M+12ADP-glucoseME278539-C00498-600.11517
ADP-glucose or GDP-fucose_M+13ADP-glucoseME278540-C00498-601.11852
ADP-glucose or GDP-fucose_M+14ADP-glucoseME278541-C00498-602.12187
ADP-glucose or GDP-fucose_M+15ADP-glucoseME278542-C00498-603.12522
ADP-glucose or GDP-fucose_M+16ADP-glucoseME278543-C00498-604.12857
ADP-glucose or GDP-fucose_M+2ADP-glucoseME278529-C00498-590.08167
ADP-glucose or GDP-fucose_M+3ADP-glucoseME278530-C00498-591.08502
ADP-glucose or GDP-fucose_M+4ADP-glucoseME278531-C00498-592.08837
ADP-glucose or GDP-fucose_M+5ADP-glucoseME278532-C00498-593.09172
ADP-glucose or GDP-fucose_M+6ADP-glucoseME278533-C00498-594.09507
ADP-glucose or GDP-fucose_M+7ADP-glucoseME278534-C00498-595.09842
ADP-glucose or GDP-fucose_M+8ADP-glucoseME278535-C00498-596.10177
ADP-glucose or GDP-fucose_M+9ADP-glucoseME278536-C00498-597.10512
ADP_M+0ADPME278940-C00008-426.0221
ADP_M+1ADPME278941-C00008-427.025495
ADP_M+10ADPME278950-C00008-436.055645
ADP_M+2ADPME278942-C00008-428.028845
ADP_M+3ADPME278943-C00008-429.032195
ADP_M+4ADPME278944-C00008-430.035545
ADP_M+5ADPME278945-C00008-431.038895
ADP_M+6ADPME278946-C00008-432.042245
ADP_M+7ADPME278947-C00008-433.045595
ADP_M+8ADPME278948-C00008-434.048945
ADP_M+9ADPME278949-C00008-435.052295
ADP-ribose_M+0ADP-riboseME278573-C00301-558.0644
ADP-ribose_M+1ADP-riboseME278574-C00301-559.067755
ADP-ribose_M+10ADP-riboseME278583-C00301-568.097905
ADP-ribose_M+11ADP-riboseME278584-C00301-569.101255
ADP-ribose_M+12ADP-riboseME278585-C00301-570.104605
ADP-ribose_M+13ADP-riboseME278586-C00301-571.107955
ADP-ribose_M+14ADP-riboseME278587-C00301-572.111305
ADP-ribose_M+15ADP-riboseME278588-C00301-573.114655
ADP-ribose_M+2ADP-riboseME278575-C00301-560.071105
ADP-ribose_M+3ADP-riboseME278576-C00301-561.074455
ADP-ribose_M+4ADP-riboseME278577-C00301-562.077805
ADP-ribose_M+5ADP-riboseME278578-C00301-563.081155
ADP-ribose_M+6ADP-riboseME278579-C00301-564.084505
ADP-ribose_M+7ADP-riboseME278580-C00301-565.087855
ADP-ribose_M+8ADP-riboseME278581-C00301-566.091205
ADP-ribose_M+9ADP-riboseME278582-C00301-567.094555
AMP or dGMP_M+0AMPME278699-C00020-346.0558
AMP or dGMP_M+1AMPME278700-C00020-347.059162
AMP or dGMP_M+10AMPME278709-C00020-356.089312
AMP or dGMP_M+2AMPME278701-C00020-348.062512
AMP or dGMP_M+3AMPME278702-C00020-349.065862
AMP or dGMP_M+4AMPME278703-C00020-350.069212
AMP or dGMP_M+5AMPME278704-C00020-351.072562
AMP or dGMP_M+6AMPME278705-C00020-352.075912
AMP or dGMP_M+7AMPME278706-C00020-353.079262
AMP or dGMP_M+8AMPME278707-C00020-354.082612
AMP or dGMP_M+9AMPME278708-C00020-355.085962
ATP_M+0ATPME279073-C00002-505.9885
ATP_M+1ATPME279074-C00002-506.991828
ATP_M+10ATPME279083-C00002-516.021978
ATP_M+2ATPME279075-C00002-507.995178
ATP_M+3ATPME279076-C00002-508.998528
ATP_M+4ATPME279077-C00002-510.001878
ATP_M+5ATPME279078-C00002-511.005228
ATP_M+6ATPME279079-C00002-512.008578
ATP_M+7ATPME279080-C00002-513.011928
ATP_M+8ATPME279081-C00002-514.015278
ATP_M+9ATPME279082-C00002-515.018628
Benzoic acid_M+0Benzoic acidME278850-C00180-121.0295
Benzoic acid_M+1Benzoic acidME278851-C00180-122.032854
Benzoic acid_M+2Benzoic acidME278852-C00180-123.036204
Benzoic acid_M+3Benzoic acidME278853-C00180-124.039554
Benzoic acid_M+4Benzoic acidME278854-C00180-125.042904
Benzoic acid_M+5Benzoic acidME278855-C00180-126.046254
Benzoic acid_M+6Benzoic acidME278856-C00180-127.049604
Benzoic acid_M+7Benzoic acidME278857-C00180-128.052954
Biotin_M+0BiotinME278367-C00120-243.0809
Biotin_M+1BiotinME278368-C00120-244.084239
Biotin_M+10BiotinME278377-C00120-253.114389
Biotin_M+2BiotinME278369-C00120-245.087589
Biotin_M+3BiotinME278370-C00120-246.090939
Biotin_M+4BiotinME278371-C00120-247.094289
Biotin_M+5BiotinME278372-C00120-248.097639
Biotin_M+6BiotinME278373-C00120-249.100989
Biotin_M+7BiotinME278374-C00120-250.104339
Biotin_M+8BiotinME278375-C00120-251.107689
Biotin_M+9BiotinME278376-C00120-252.111039
Butyric acid or Isobutyric acid_M+0Isobutyric acidME278858-C02632-87.0452
Butyric acid or Isobutyric acid_M+1Isobutyric acidME278859-C02632-88.048504
Butyric acid or Isobutyric acid_M+2Isobutyric acidME278860-C02632-89.051854
Butyric acid or Isobutyric acid_M+3Isobutyric acidME278861-C02632-90.055204
Butyric acid or Isobutyric acid_M+4Isobutyric acidME278862-C02632-91.058554
cAMP_M+03',5' cyclic AMPME278322-C00575-328.0452
cAMP_M+13',5' cyclic AMPME278323-C00575-329.048597
cAMP_M+103',5' cyclic AMPME278332-C00575-338.078747
cAMP_M+23',5' cyclic AMPME278324-C00575-330.051947
cAMP_M+33',5' cyclic AMPME278325-C00575-331.055297
cAMP_M+43',5' cyclic AMPME278326-C00575-332.058647
cAMP_M+53',5' cyclic AMPME278327-C00575-333.061997
cAMP_M+63',5' cyclic AMPME278328-C00575-334.065347
cAMP_M+73',5' cyclic AMPME278329-C00575-335.068697
cAMP_M+83',5' cyclic AMPME278330-C00575-336.072047
cAMP_M+93',5' cyclic AMPME278331-C00575-337.075397
CDP-choline_M+0CDP-cholineME278283-C00307-487.1001
CDP-choline_M+1CDP-cholineME278284-C00307-488.103411
CDP-choline_M+10CDP-cholineME278293-C00307-497.133561
CDP-choline_M+11CDP-cholineME278294-C00307-498.136911
CDP-choline_M+12CDP-cholineME278295-C00307-499.140261
CDP-choline_M+13CDP-cholineME278296-C00307-500.143611
CDP-choline_M+14CDP-cholineME278297-C00307-501.146961
CDP-choline_M+2CDP-cholineME278285-C00307-489.106761
CDP-choline_M+3CDP-cholineME278286-C00307-490.110111
CDP-choline_M+4CDP-cholineME278287-C00307-491.113461
CDP-choline_M+5CDP-cholineME278288-C00307-492.116811
CDP-choline_M+6CDP-cholineME278289-C00307-493.120161
CDP-choline_M+7CDP-cholineME278290-C00307-494.123511
CDP-choline_M+8CDP-cholineME278291-C00307-495.126861
CDP-choline_M+9CDP-cholineME278292-C00307-496.130211
CDP_M+0CDPME279017-C00112-402.0109
CDP_M+1CDPME279018-C00112-403.014262
CDP_M+2CDPME279019-C00112-404.017612
CDP_M+3CDPME279020-C00112-405.020962
CDP_M+4CDPME279021-C00112-406.024312
CDP_M+5CDPME279022-C00112-407.027662
CDP_M+6CDPME279023-C00112-408.031012
CDP_M+7CDPME279024-C00112-409.034362
CDP_M+8CDPME279025-C00112-410.037712
CDP_M+9CDPME279026-C00112-411.041062
cGMP_M+03',5' cyclic GMPME278343-C00942-344.0402
cGMP_M+13',5' cyclic GMPME278344-C00942-345.043512
cGMP_M+103',5' cyclic GMPME278353-C00942-354.073662
cGMP_M+23',5' cyclic GMPME278345-C00942-346.046862
cGMP_M+33',5' cyclic GMPME278346-C00942-347.050212
cGMP_M+43',5' cyclic GMPME278347-C00942-348.053562
cGMP_M+53',5' cyclic GMPME278348-C00942-349.056912
cGMP_M+63',5' cyclic GMPME278349-C00942-350.060262
cGMP_M+73',5' cyclic GMPME278350-C00942-351.063612
cGMP_M+83',5' cyclic GMPME278351-C00942-352.066962
cGMP_M+93',5' cyclic GMPME278352-C00942-353.070312
Citric acid_M+0Citric acidME279247-C00158-191.0197
Citric acid_M+1Citric acidME279248-C00158-192.023079
Citric acid_M+2Citric acidME279249-C00158-193.026429
Citric acid_M+3Citric acidME279250-C00158-194.029779
Citric acid_M+4Citric acidME279251-C00158-195.033129
Citric acid_M+5Citric acidME279252-C00158-196.036479
Citric acid_M+6Citric acidME279253-C00158-197.039829
CMP_M+0CMPME278810-C00055-322.0446
CMP_M+1CMPME278811-C00055-323.047929
CMP_M+2CMPME278812-C00055-324.051279
CMP_M+3CMPME278813-C00055-325.054629
CMP_M+4CMPME278814-C00055-326.057979
CMP_M+5CMPME278815-C00055-327.061329
CMP_M+6CMPME278816-C00055-328.064679
CMP_M+7CMPME278817-C00055-329.068029
CMP_M+8CMPME278818-C00055-330.071379
CMP_M+9CMPME278819-C00055-331.074729
CMP-N-acetylneuraminate_M+0CMP-N-acetylneuraminic acidME278427-C00128-613.1400
CMP-N-acetylneuraminate_M+1CMP-N-acetylneuraminic acidME278428-C00128-614.143348
CMP-N-acetylneuraminate_M+10CMP-N-acetylneuraminic acidME278437-C00128-623.173498
CMP-N-acetylneuraminate_M+11CMP-N-acetylneuraminic acidME278438-C00128-624.176848
CMP-N-acetylneuraminate_M+12CMP-N-acetylneuraminic acidME278439-C00128-625.180198
CMP-N-acetylneuraminate_M+13CMP-N-acetylneuraminic acidME278440-C00128-626.183548
CMP-N-acetylneuraminate_M+14CMP-N-acetylneuraminic acidME278441-C00128-627.186898
CMP-N-acetylneuraminate_M+15CMP-N-acetylneuraminic acidME278442-C00128-628.190248
CMP-N-acetylneuraminate_M+16CMP-N-acetylneuraminic acidME278443-C00128-629.193598
CMP-N-acetylneuraminate_M+17CMP-N-acetylneuraminic acidME278444-C00128-630.196948
CMP-N-acetylneuraminate_M+18CMP-N-acetylneuraminic acidME278445-C00128-631.200298
CMP-N-acetylneuraminate_M+19CMP-N-acetylneuraminic acidME278446-C00128-632.203648
CMP-N-acetylneuraminate_M+2CMP-N-acetylneuraminic acidME278429-C00128-615.146698
CMP-N-acetylneuraminate_M+20CMP-N-acetylneuraminic acidME278447-C00128-633.206998
CMP-N-acetylneuraminate_M+3CMP-N-acetylneuraminic acidME278430-C00128-616.150048
CMP-N-acetylneuraminate_M+4CMP-N-acetylneuraminic acidME278431-C00128-617.153398
CMP-N-acetylneuraminate_M+5CMP-N-acetylneuraminic acidME278432-C00128-618.156748
CMP-N-acetylneuraminate_M+6CMP-N-acetylneuraminic acidME278433-C00128-619.160098
CMP-N-acetylneuraminate_M+7CMP-N-acetylneuraminic acidME278434-C00128-620.163448
CMP-N-acetylneuraminate_M+8CMP-N-acetylneuraminic acidME278435-C00128-621.166798
CMP-N-acetylneuraminate_M+9CMP-N-acetylneuraminic acidME278436-C00128-622.170148
CoA_divalent_M+0Coenzyme AME278887-C00010-382.5503
CoA_divalent_M+1Coenzyme AME278888-C00010-383.5536835
CoA_divalent_M+10Coenzyme AME278897-C00010-392.5838335
CoA_divalent_M+11Coenzyme AME278898-C00010-393.5871835
CoA_divalent_M+12Coenzyme AME278899-C00010-394.5905335
CoA_divalent_M+13Coenzyme AME278900-C00010-395.5938835
CoA_divalent_M+14Coenzyme AME278901-C00010-396.5972335
CoA_divalent_M+15Coenzyme AME278902-C00010-397.6005835
CoA_divalent_M+16Coenzyme AME278903-C00010-398.6039335
CoA_divalent_M+17Coenzyme AME278904-C00010-399.6072835
CoA_divalent_M+18Coenzyme AME278905-C00010-400.6106335
CoA_divalent_M+19Coenzyme AME278906-C00010-401.6139835
CoA_divalent_M+2Coenzyme AME278889-C00010-384.5570335
CoA_divalent_M+20Coenzyme AME278907-C00010-402.6173335
CoA_divalent_M+21Coenzyme AME278908-C00010-403.6206835
CoA_divalent_M+3Coenzyme AME278890-C00010-385.5603835
CoA_divalent_M+4Coenzyme AME278891-C00010-386.5637335
CoA_divalent_M+5Coenzyme AME278892-C00010-387.5670835
CoA_divalent_M+6Coenzyme AME278893-C00010-388.5704335
CoA_divalent_M+7Coenzyme AME278894-C00010-389.5737835
CoA_divalent_M+8Coenzyme AME278895-C00010-390.5771335
CoA_divalent_M+9Coenzyme AME278896-C00010-391.5804835
CTP_M+0CTPME279117-C00063-481.9772
CTP_M+1CTPME279118-C00063-482.980595
CTP_M+2CTPME279119-C00063-483.983945
CTP_M+3CTPME279120-C00063-484.987295
CTP_M+4CTPME279121-C00063-485.990645
CTP_M+5CTPME279122-C00063-486.993995
CTP_M+6CTPME279123-C00063-487.997345
CTP_M+7CTPME279124-C00063-489.000695
CTP_M+8CTPME279125-C00063-490.004045
CTP_M+9CTPME279126-C00063-491.007395
dADP_M+0dADPME278973-C00206-410.0272
dADP_M+1dADPME278974-C00206-411.03058
dADP_M+10dADPME278983-C00206-420.06073
dADP_M+2dADPME278975-C00206-412.03393
dADP_M+3dADPME278976-C00206-413.03728
dADP_M+4dADPME278977-C00206-414.04063
dADP_M+5dADPME278978-C00206-415.04398
dADP_M+6dADPME278979-C00206-416.04733
dADP_M+7dADPME278980-C00206-417.05068
dADP_M+8dADPME278981-C00206-418.05403
dADP_M+9dADPME278982-C00206-419.05738
dATP_M+0dATPME279062-C00131-489.9936
dATP_M+1dATPME279063-C00131-490.996913
dATP_M+10dATPME279072-C00131-500.027063
dATP_M+2dATPME279064-C00131-492.000263
dATP_M+3dATPME279065-C00131-493.003613
dATP_M+4dATPME279066-C00131-494.006963
dATP_M+5dATPME279067-C00131-495.010313
dATP_M+6dATPME279068-C00131-496.013663
dATP_M+7dATPME279069-C00131-497.017013
dATP_M+8dATPME279070-C00131-498.020363
dATP_M+9dATPME279071-C00131-499.023713
dCDP_M+0dCDPME279052-C00705-386.0160
dCDP_M+1dCDPME279053-C00705-387.019347
dCDP_M+2dCDPME279054-C00705-388.022697
dCDP_M+3dCDPME279055-C00705-389.026047
dCDP_M+4dCDPME279056-C00705-390.029397
dCDP_M+5dCDPME279057-C00705-391.032747
dCDP_M+6dCDPME279058-C00705-392.036097
dCDP_M+7dCDPME279059-C00705-393.039447
dCDP_M+8dCDPME279060-C00705-394.042797
dCDP_M+9dCDPME279061-C00705-395.046147
dCTP_M+0dCTPME279127-C00458-465.9823
dCTP_M+1dCTPME279128-C00458-466.98568
dCTP_M+2dCTPME279129-C00458-467.98903
dCTP_M+3dCTPME279130-C00458-468.99238
dCTP_M+4dCTPME279131-C00458-469.99573
dCTP_M+5dCTPME279132-C00458-470.99908
dCTP_M+6dCTPME279133-C00458-472.00243
dCTP_M+7dCTPME279134-C00458-473.00578
dCTP_M+8dCTPME279135-C00458-474.00913
dCTP_M+9dCTPME279136-C00458-475.01248
Decanoic acid_M+0Capric acidME278406-C01571-171.1391
Decanoic acid_M+1Capric acidME278407-C01571-172.142404
Decanoic acid_M+10Capric acidME278416-C01571-181.172554
Decanoic acid_M+2Capric acidME278408-C01571-173.145754
Decanoic acid_M+3Capric acidME278409-C01571-174.149104
Decanoic acid_M+4Capric acidME278410-C01571-175.152454
Decanoic acid_M+5Capric acidME278411-C01571-176.155804
Decanoic acid_M+6Capric acidME278412-C01571-177.159154
Decanoic acid_M+7Capric acidME278413-C01571-178.162504
Decanoic acid_M+8Capric acidME278414-C01571-179.165854
Decanoic acid_M+9Capric acidME278415-C01571-180.169204
Dihydroorotic acid_M+0Dihydroorotic acidME278745-C00337-157.0255
Dihydroorotic acid_M+1Dihydroorotic acidME278746-C00337-158.028832
Dihydroorotic acid_M+2Dihydroorotic acidME278747-C00337-159.032182
Dihydroorotic acid_M+3Dihydroorotic acidME278748-C00337-160.035532
Dihydroorotic acid_M+4Dihydroorotic acidME278749-C00337-161.038882
Dihydroorotic acid_M+5Dihydroorotic acidME278750-C00337-162.042232
Dihydroxyacetone phosphate_M+0Dihydroxyacetone phosphateME279150-C00111-168.9908
Dihydroxyacetone phosphate_M+1Dihydroxyacetone phosphateME279151-C00111-169.994102
Dihydroxyacetone phosphate_M+2Dihydroxyacetone phosphateME279152-C00111-170.997452
Dihydroxyacetone phosphate_M+3Dihydroxyacetone phosphateME279153-C00111-172.000802
dTDP-glucose_M+0dTDP-glucoseME278589-C00842-563.0685
dTDP-glucose_M+1dTDP-glucoseME278590-C00843-564.071838
dTDP-glucose_M+10dTDP-glucoseME278599-C00852-573.101988
dTDP-glucose_M+11dTDP-glucoseME278600-C00853-574.105338
dTDP-glucose_M+12dTDP-glucoseME278601-C00854-575.108688
dTDP-glucose_M+13dTDP-glucoseME278602-C00855-576.112038
dTDP-glucose_M+14dTDP-glucoseME278603-C00856-577.115388
dTDP-glucose_M+15dTDP-glucoseME278604-C00857-578.118738
dTDP-glucose_M+16dTDP-glucoseME278605-C00858-579.122088
dTDP-glucose_M+2dTDP-glucoseME278591-C00844-565.075188
dTDP-glucose_M+3dTDP-glucoseME278592-C00845-566.078538
dTDP-glucose_M+4dTDP-glucoseME278593-C00846-567.081888
dTDP-glucose_M+5dTDP-glucoseME278594-C00847-568.085238
dTDP-glucose_M+6dTDP-glucoseME278595-C00848-569.088588
dTDP-glucose_M+7dTDP-glucoseME278596-C00849-570.091938
dTDP-glucose_M+8dTDP-glucoseME278597-C00850-571.095288
dTDP-glucose_M+9dTDP-glucoseME278598-C00851-572.098638
dTDP_M+0dTDPME279006-C00363-401.0157
dTDP_M+1dTDPME279007-C00363-402.019013
dTDP_M+10dTDPME279016-C00363-411.049163
dTDP_M+2dTDPME279008-C00363-403.022363
dTDP_M+3dTDPME279009-C00363-404.025713
dTDP_M+4dTDPME279010-C00363-405.029063
dTDP_M+5dTDPME279011-C00363-406.032413
dTDP_M+6dTDPME279012-C00363-407.035763
dTDP_M+7dTDPME279013-C00363-408.039113
dTDP_M+8dTDPME279014-C00363-409.042463
dTDP_M+9dTDPME279015-C00363-410.045813
dTMP_M+0dTMPME278785-C00364-321.0493
dTMP_M+1dTMPME278786-C00364-322.05265
dTMP_M+10dTMPME278795-C00364-331.0828
dTMP_M+2dTMPME278787-C00364-323.056
dTMP_M+3dTMPME278788-C00364-324.05935
dTMP_M+4dTMPME278789-C00364-325.0627
dTMP_M+5dTMPME278790-C00364-326.06605
dTMP_M+6dTMPME278791-C00364-327.0694
dTMP_M+7dTMPME278792-C00364-328.07275
dTMP_M+8dTMPME278793-C00364-329.0761
dTMP_M+9dTMPME278794-C00364-330.07945
dTTP_M+0dTTPME279088-C00459-480.9820
dTTP_M+1dTTPME279089-C00459-481.985346
dTTP_M+10dTTPME279098-C00459-491.015496
dTTP_M+2dTTPME279090-C00459-482.988696
dTTP_M+3dTTPME279091-C00459-483.992046
dTTP_M+4dTTPME279092-C00459-484.995396
dTTP_M+5dTTPME279093-C00459-485.998746
dTTP_M+6dTTPME279094-C00459-487.002096
dTTP_M+7dTTPME279095-C00459-488.005446
dTTP_M+8dTTPME279096-C00459-489.008796
dTTP_M+9dTTPME279097-C00459-490.012146
Ethanolamine phosphate_M+0PhosphoethanolamineME278417-C00346-140.0118
Ethanolamine phosphate_M+1PhosphoethanolamineME278418-C00346-141.015171
Ethanolamine phosphate_M+2PhosphoethanolamineME278419-C00346-142.018521
FAD_divalent_M+0FADME278378-C00016-391.5713
FAD_divalent_M+1FADME278379-C00017-392.574645
FAD_divalent_M+10FADME278388-C00026-401.604795
FAD_divalent_M+11FADME278389-C00027-402.608145
FAD_divalent_M+12FADME278390-C00028-403.611495
FAD_divalent_M+13FADME278391-C00029-404.614845
FAD_divalent_M+14FADME278392-C00030-405.618195
FAD_divalent_M+15FADME278393-C00031-406.621545
FAD_divalent_M+16FADME278394-C00032-407.624895
FAD_divalent_M+17FADME278395-C00033-408.628245
FAD_divalent_M+18FADME278396-C00034-409.631595
FAD_divalent_M+19FADME278397-C00035-410.634945
FAD_divalent_M+2FADME278380-C00018-393.577995
FAD_divalent_M+20FADME278398-C00036-411.638295
FAD_divalent_M+21FADME278399-C00037-412.641645
FAD_divalent_M+22FADME278400-C00038-413.644995
FAD_divalent_M+23FADME278401-C00039-414.648345
FAD_divalent_M+24FADME278402-C00040-415.651695
FAD_divalent_M+25FADME278403-C00041-416.655045
FAD_divalent_M+26FADME278404-C00042-417.658395
FAD_divalent_M+27FADME278405-C00043-418.661745
FAD_divalent_M+3FADME278381-C00019-394.581345
FAD_divalent_M+4FADME278382-C00020-395.584695
FAD_divalent_M+5FADME278383-C00021-396.588045
FAD_divalent_M+6FADME278384-C00022-397.591395
FAD_divalent_M+7FADME278385-C00023-398.594745
FAD_divalent_M+8FADME278386-C00024-399.598095
FAD_divalent_M+9FADME278387-C00025-400.601445
Fructose 1,6-diphosphate_M+0Fructose 1,6-bisphosphateME279173-C00354-338.9888
Fructose 1,6-diphosphate_M+1Fructose 1,6-bisphosphateME279174-C00354-339.99213
Fructose 1,6-diphosphate_M+2Fructose 1,6-bisphosphateME279175-C00354-340.99548
Fructose 1,6-diphosphate_M+3Fructose 1,6-bisphosphateME279176-C00354-341.99883
Fructose 1,6-diphosphate_M+4Fructose 1,6-bisphosphateME279177-C00354-343.00218
Fructose 1,6-diphosphate_M+5Fructose 1,6-bisphosphateME279178-C00354-344.00553
Fructose 1,6-diphosphate_M+6Fructose 1,6-bisphosphateME279179-C00354-345.00888
Fructose 6-phosphate_M+0Fructose 6-phosphateME278863-C05345,C00085-259.0224
Fructose 6-phosphate_M+1Fructose 6-phosphateME278864-C05345,C00085-260.025797
Fructose 6-phosphate_M+2Fructose 6-phosphateME278865-C05345,C00085-261.029147
Fructose 6-phosphate_M+3Fructose 6-phosphateME278866-C05345,C00085-262.032497
Fructose 6-phosphate_M+4Fructose 6-phosphateME278867-C05345,C00085-263.035847
Fructose 6-phosphate_M+5Fructose 6-phosphateME278868-C05345,C00085-264.039197
Fructose 6-phosphate_M+6Fructose 6-phosphateME278869-C05345,C00085-265.042547
Fumaric acid_M+0Fumaric acidME279242-C00122-115.0037
Fumaric acid_M+1Fumaric acidME279243-C00122-116.007034
Fumaric acid_M+2Fumaric acidME279244-C00122-117.010384
Fumaric acid_M+3Fumaric acidME279245-C00122-118.013734
Fumaric acid_M+4Fumaric acidME279246-C00122-119.017084
Galacturonic acid_M+0Galacturonic acidME278495-C00333-193.0354
Galacturonic acid_M+1Galacturonic acidME278496-C00333-194.038729
Galacturonic acid_M+2Galacturonic acidME278497-C00333-195.042079
Galacturonic acid_M+3Galacturonic acidME278498-C00333-196.045429
Galacturonic acid_M+4Galacturonic acidME278499-C00333-197.048779
Galacturonic acid_M+5Galacturonic acidME278500-C00333-198.052129
Galacturonic acid_M+6Galacturonic acidME278501-C00333-199.055479
GDP_M+0GDPME278909-C00035-442.0171
GDP_M+1GDPME278910-C00035-443.02041
GDP_M+10GDPME278919-C00035-452.05056
GDP_M+2GDPME278911-C00035-444.02376
GDP_M+3GDPME278912-C00035-445.02711
GDP_M+4GDPME278913-C00035-446.03046
GDP_M+5GDPME278914-C00035-447.03381
GDP_M+6GDPME278915-C00035-448.03716
GDP_M+7GDPME278916-C00035-449.04051
GDP_M+8GDPME278917-C00035-450.04386
GDP_M+9GDPME278918-C00035-451.04721
GDP-mannose or GDP-galactose_M+0-ME278510-C00096-604.0699
GDP-mannose or GDP-galactose_M+1-ME278511-C00096-605.073235
GDP-mannose or GDP-galactose_M+10-ME278520-C00096-614.103385
GDP-mannose or GDP-galactose_M+11-ME278521-C00096-615.106735
GDP-mannose or GDP-galactose_M+12-ME278522-C00096-616.110085
GDP-mannose or GDP-galactose_M+13-ME278523-C00096-617.113435
GDP-mannose or GDP-galactose_M+14-ME278524-C00096-618.116785
GDP-mannose or GDP-galactose_M+15-ME278525-C00096-619.120135
GDP-mannose or GDP-galactose_M+16-ME278526-C00096-620.123485
GDP-mannose or GDP-galactose_M+2-ME278512-C00096-606.076585
GDP-mannose or GDP-galactose_M+3-ME278513-C00096-607.079935
GDP-mannose or GDP-galactose_M+4-ME278514-C00096-608.083285
GDP-mannose or GDP-galactose_M+5-ME278515-C00096-609.086635
GDP-mannose or GDP-galactose_M+6-ME278516-C00096-610.089985
GDP-mannose or GDP-galactose_M+7-ME278517-C00096-611.093335
GDP-mannose or GDP-galactose_M+8-ME278518-C00096-612.096685
GDP-mannose or GDP-galactose_M+9-ME278519-C00096-613.100035
Gluconic acid_M+0Gluconic acidME278458-C00257-195.0510
Gluconic acid_M+1Gluconic acidME278459-C00257-196.054379
Gluconic acid_M+2Gluconic acidME278460-C00257-197.057729
Gluconic acid_M+3Gluconic acidME278461-C00257-198.061079
Gluconic acid_M+4Gluconic acidME278462-C00257-199.064429
Gluconic acid_M+5Gluconic acidME278463-C00257-200.067779
Gluconic acid_M+6Gluconic acidME278464-C00257-201.071129
Glucosamine 6-phosphate_M+0Glucosamine 6-phosphateME278622-C00352-258.0384
Glucosamine 6-phosphate_M+1Glucosamine 6-phosphateME278623-C00352-259.041781
Glucosamine 6-phosphate_M+2Glucosamine 6-phosphateME278624-C00352-260.045131
Glucosamine 6-phosphate_M+3Glucosamine 6-phosphateME278625-C00352-261.048481
Glucosamine 6-phosphate_M+4Glucosamine 6-phosphateME278626-C00352-262.051831
Glucosamine 6-phosphate_M+5Glucosamine 6-phosphateME278627-C00352-263.055181
Glucosamine 6-phosphate_M+6Glucosamine 6-phosphateME278628-C00352-264.058531
Glucose 1-phosphate_M+0Glucose 1-phosphateME278870-C00103-259.0224
Glucose 1-phosphate_M+1Glucose 1-phosphateME278871-C00103-260.025797
Glucose 1-phosphate_M+2Glucose 1-phosphateME278872-C00103-261.029147
Glucose 1-phosphate_M+3Glucose 1-phosphateME278873-C00103-262.032497
Glucose 1-phosphate_M+4Glucose 1-phosphateME278874-C00103-263.035847
Glucose 1-phosphate_M+5Glucose 1-phosphateME278875-C00103-264.039197
Glucose 1-phosphate_M+6Glucose 1-phosphateME278876-C00103-265.042547
Glucose 6-phosphate_M+0Glucose 6-phosphateME278828-C00668,C01172,C00092-259.0224
Glucose 6-phosphate_M+1Glucose 6-phosphateME278829-C00668,C01172,C00092-260.025797
Glucose 6-phosphate_M+2Glucose 6-phosphateME278830-C00668,C01172,C00092-261.029147
Glucose 6-phosphate_M+3Glucose 6-phosphateME278831-C00668,C01172,C00092-262.032497
Glucose 6-phosphate_M+4Glucose 6-phosphateME278832-C00668,C01172,C00092-263.035847
Glucose 6-phosphate_M+5Glucose 6-phosphateME278833-C00668,C01172,C00092-264.039197
Glucose 6-phosphate_M+6Glucose 6-phosphateME278834-C00668,C01172,C00092-265.042547
Glucuronic acid_M+0Glucuronic acidME278420-C00191-193.0354
Glucuronic acid_M+1Glucuronic acidME278421-C00191-194.038729
Glucuronic acid_M+2Glucuronic acidME278422-C00191-195.042079
Glucuronic acid_M+3Glucuronic acidME278423-C00191-196.045429
Glucuronic acid_M+4Glucuronic acidME278424-C00191-197.048779
Glucuronic acid_M+5Glucuronic acidME278425-C00191-198.052129
Glucuronic acid_M+6Glucuronic acidME278426-C00191-199.055479
Glyceraldehyde 3-phosphate_M+0Glyceraldehyde 3-phosphateME279038-C00118,C00661-168.9908
Glyceraldehyde 3-phosphate_M+1Glyceraldehyde 3-phosphateME279039-C00118,C00661-169.994102
Glyceraldehyde 3-phosphate_M+2Glyceraldehyde 3-phosphateME279040-C00118,C00661-170.997452
Glyceraldehyde 3-phosphate_M+3Glyceraldehyde 3-phosphateME279041-C00118,C00661-172.000802
Glyceric acid_M+0Glyceric acidME278877-C00258-105.0193
Glyceric acid_M+1Glyceric acidME278878-C00258-106.022684
Glyceric acid_M+2Glyceric acidME278879-C00258-107.026034
Glyceric acid_M+3Glyceric acidME278880-C00258-108.029384
Glycerol 3-phosphate_M+0sn-Glycero-3-phosphateME279084-C00093-171.0064
Glycerol 3-phosphate_M+1sn-Glycero-3-phosphateME279085-C00093-172.009752
Glycerol 3-phosphate_M+2sn-Glycero-3-phosphateME279086-C00093-173.013102
Glycerol 3-phosphate_M+3sn-Glycero-3-phosphateME279087-C00093-174.016452
Glycolic acid_M+0Glycolic acidME279147-C00160-75.0088
Glycolic acid_M+1Glycolic acidME279148-C00160-76.012119
Glycolic acid_M+2Glycolic acidME279149-C00160-77.015469
GMP_M+0GMPME278665-C00144-362.0507
GMP_M+1GMPME278666-C00144-363.054077
GMP_M+10GMPME278675-C00144-372.084227
GMP_M+2GMPME278667-C00144-364.057427
GMP_M+3GMPME278668-C00144-365.060777
GMP_M+4GMPME278669-C00144-366.064127
GMP_M+5GMPME278670-C00144-367.067477
GMP_M+6GMPME278671-C00144-368.070827
GMP_M+7GMPME278672-C00144-369.074177
GMP_M+8GMPME278673-C00144-370.077527
GMP_M+9GMPME278674-C00144-371.080877
GTP_M+0GTPME279027-C00044-521.9834
GTP_M+1GTPME279028-C00044-522.986743
GTP_M+10GTPME279037-C00044-532.016893
GTP_M+2GTPME279029-C00044-523.990093
GTP_M+3GTPME279030-C00044-524.993443
GTP_M+4GTPME279031-C00044-525.996793
GTP_M+5GTPME279032-C00044-527.000143
GTP_M+6GTPME279033-C00044-528.003493
GTP_M+7GTPME279034-C00044-529.006843
GTP_M+8GTPME279035-C00044-530.010193
GTP_M+9GTPME279036-C00044-531.013543
Hexanoic acid_M+0Caproic acidME278645-C01585-115.0765
Hexanoic acid_M+1Caproic acidME278646-C01585-116.079804
Hexanoic acid_M+2Caproic acidME278647-C01585-117.083154
Hexanoic acid_M+3Caproic acidME278648-C01585-118.086504
Hexanoic acid_M+4Caproic acidME278649-C01585-119.089854
Hexanoic acid_M+5Caproic acidME278650-C01585-120.093204
Hexanoic acid_M+6Caproic acidME278651-C01585-121.096554
Hippuric acid_M+0Hippuric acidME278562-C01586-178.0510
Hippuric acid_M+1Hippuric acidME278563-C01586-179.054318
Hippuric acid_M+2Hippuric acidME278564-C01586-180.057668
Hippuric acid_M+3Hippuric acidME278565-C01586-181.061018
Hippuric acid_M+4Hippuric acidME278566-C01586-182.064368
Hippuric acid_M+5Hippuric acidME278567-C01586-183.067718
Hippuric acid_M+6Hippuric acidME278568-C01586-184.071068
Hippuric acid_M+7Hippuric acidME278569-C01586-185.074418
Hippuric acid_M+8Hippuric acidME278570-C01586-186.077768
Hippuric acid_M+9Hippuric acidME278571-C01586-187.081118
IMP_M+0IMPME278774-C00130-347.0398
IMP_M+1IMPME278775-C00130-348.043178
IMP_M+10IMPME278784-C00130-357.073328
IMP_M+2IMPME278776-C00130-349.046528
IMP_M+3IMPME278777-C00130-350.049878
IMP_M+4IMPME278778-C00130-351.053228
IMP_M+5IMPME278779-C00130-352.056578
IMP_M+6IMPME278780-C00130-353.059928
IMP_M+7IMPME278781-C00130-354.063278
IMP_M+8IMPME278782-C00130-355.066628
IMP_M+9IMPME278783-C00130-356.069978
IS_CSA-ME278572---231.069656
Isocitric acid_M+0Isocitric acidME279255-C00311-191.0197
Isocitric acid_M+1Isocitric acidME279256-C00311-192.023079
Isocitric acid_M+2Isocitric acidME279257-C00311-193.026429
Isocitric acid_M+3Isocitric acidME279258-C00311-194.029779
Isocitric acid_M+4Isocitric acidME279259-C00311-195.033129
Isocitric acid_M+5Isocitric acidME279260-C00311-196.036479
Isocitric acid_M+6Isocitric acidME279261-C00311-197.039829
Lactic acid_M+0Lactic acidME278920-C00186,C00256,C01432-89.0244
Lactic acid_M+1Lactic acidME278921-C00186,C00256,C01432-90.027769
Lactic acid_M+2Lactic acidME278922-C00186,C00256,C01432-91.031119
Lactic acid_M+3Lactic acidME278923-C00186,C00256,C01432-92.034469
Lauric acid_M+0Lauric acidME278354-C02679-199.1704
Lauric acid_M+1Lauric acidME278355-C02679-200.173704
Lauric acid_M+10Lauric acidME278364-C02679-209.203854
Lauric acid_M+11Lauric acidME278365-C02679-210.207204
Lauric acid_M+12Lauric acidME278366-C02679-211.210554
Lauric acid_M+2Lauric acidME278356-C02679-201.177054
Lauric acid_M+3Lauric acidME278357-C02679-202.180404
Lauric acid_M+4Lauric acidME278358-C02679-203.183754
Lauric acid_M+5Lauric acidME278359-C02679-204.187104
Lauric acid_M+6Lauric acidME278360-C02679-205.190454
Lauric acid_M+7Lauric acidME278361-C02679-206.193804
Lauric acid_M+8Lauric acidME278362-C02679-207.197154
Lauric acid_M+9Lauric acidME278363-C02679-208.200504
Malic acid_M+0Malic acidME279231-C00149,C00497,C00711-133.0142
Malic acid_M+1Malic acidME279232-C00149,C00497,C00711-134.017599
Malic acid_M+2Malic acidME279233-C00149,C00497,C00711-135.020949
Malic acid_M+3Malic acidME279234-C00149,C00497,C00711-136.024299
Malic acid_M+4Malic acidME279235-C00149,C00497,C00711-137.027649
N-Acetylaspartic acid_M+0N-Acetylaspartic acidME279166-C01042-174.0408
N-Acetylaspartic acid_M+1N-Acetylaspartic acidME279167-C01042-175.044148
N-Acetylaspartic acid_M+2N-Acetylaspartic acidME279168-C01042-176.047498
N-Acetylaspartic acid_M+3N-Acetylaspartic acidME279169-C01042-177.050848
N-Acetylaspartic acid_M+4N-Acetylaspartic acidME279170-C01042-178.054198
N-Acetylaspartic acid_M+5N-Acetylaspartic acidME279171-C01042-179.057548
N-Acetylaspartic acid_M+6N-Acetylaspartic acidME279172-C01042-180.060898
N-Acetylglucosamine 1-phosphate_M+0N-Acetyl-D-glucosamine 1-phosphateME278801-C04256-300.0490
N-Acetylglucosamine 1-phosphate_M+1N-Acetyl-D-glucosamine 1-phosphateME278802-C04256-301.052346
N-Acetylglucosamine 1-phosphate_M+2N-Acetyl-D-glucosamine 1-phosphateME278803-C04256-302.055696
N-Acetylglucosamine 1-phosphate_M+3N-Acetyl-D-glucosamine 1-phosphateME278804-C04256-303.059046
N-Acetylglucosamine 1-phosphate_M+4N-Acetyl-D-glucosamine 1-phosphateME278805-C04256-304.062396
N-Acetylglucosamine 1-phosphate_M+5N-Acetyl-D-glucosamine 1-phosphateME278806-C04256-305.065746
N-Acetylglucosamine 1-phosphate_M+6N-Acetyl-D-glucosamine 1-phosphateME278807-C04256-306.069096
N-Acetylglucosamine 1-phosphate_M+7N-Acetyl-D-glucosamine 1-phosphateME278808-C04256-307.072446
N-Acetylglucosamine 1-phosphate_M+8N-Acetyl-D-glucosamine 1-phosphateME278809-C04256-308.075796
N-Acetylglucosamine 6-phosphate_M+0N-Acetyl-glucosamine 6-phosphateME278685-C00357-300.0490
N-Acetylglucosamine 6-phosphate_M+1N-Acetyl-glucosamine 6-phosphateME278686-C00357-301.052346
N-Acetylglucosamine 6-phosphate_M+2N-Acetyl-glucosamine 6-phosphateME278687-C00357-302.055696
N-Acetylglucosamine 6-phosphate_M+3N-Acetyl-glucosamine 6-phosphateME278688-C00357-303.059046
N-Acetylglucosamine 6-phosphate_M+4N-Acetyl-glucosamine 6-phosphateME278689-C00357-304.062396
N-Acetylglucosamine 6-phosphate_M+5N-Acetyl-glucosamine 6-phosphateME278690-C00357-305.065746
N-Acetylglucosamine 6-phosphate_M+6N-Acetyl-glucosamine 6-phosphateME278691-C00357-306.069096
N-Acetylglucosamine 6-phosphate_M+7N-Acetyl-glucosamine 6-phosphateME278692-C00357-307.072446
N-Acetylglucosamine 6-phosphate_M+8N-Acetyl-glucosamine 6-phosphateME278693-C00357-308.075796
N-Acetylglutamic acid_M+0N-Acetylglutamic acidME279158-C00624-188.0564
N-Acetylglutamic acid_M+1N-Acetylglutamic acidME279159-C00624-189.059798
N-Acetylglutamic acid_M+2N-Acetylglutamic acidME279160-C00624-190.063148
N-Acetylglutamic acid_M+3N-Acetylglutamic acidME279161-C00624-191.066498
N-Acetylglutamic acid_M+4N-Acetylglutamic acidME279162-C00624-192.069848
N-Acetylglutamic acid_M+5N-Acetylglutamic acidME279163-C00624-193.073198
N-Acetylglutamic acid_M+6N-Acetylglutamic acidME279164-C00624-194.076548
N-Acetylglutamic acid_M+7N-Acetylglutamic acidME279165-C00624-195.079898
N-Acetylmethionine_M+0N-AcetylmethionineME278465-C02712-190.0543
N-Acetylmethionine_M+1N-AcetylmethionineME278466-C02712-191.05769
N-Acetylmethionine_M+2N-AcetylmethionineME278467-C02712-192.06104
N-Acetylmethionine_M+3N-AcetylmethionineME278468-C02712-193.06439
N-Acetylmethionine_M+4N-AcetylmethionineME278469-C02712-194.06774
N-Acetylmethionine_M+5N-AcetylmethionineME278470-C02712-195.07109
N-Acetylmethionine_M+6N-AcetylmethionineME278471-C02712-196.07444
N-Acetylmethionine_M+7N-AcetylmethionineME278472-C02712-197.07779
N-Acetylmuramic acid_M+0N-Acetylmuramic acidME278310-C02713-292.1038
N-Acetylmuramic acid_M+1N-Acetylmuramic acidME278311-C02713-293.107143
N-Acetylmuramic acid_M+10N-Acetylmuramic acidME278320-C02713-302.137293
N-Acetylmuramic acid_M+11N-Acetylmuramic acidME278321-C02713-303.140643
N-Acetylmuramic acid_M+2N-Acetylmuramic acidME278312-C02713-294.110493
N-Acetylmuramic acid_M+3N-Acetylmuramic acidME278313-C02713-295.113843
N-Acetylmuramic acid_M+4N-Acetylmuramic acidME278314-C02713-296.117193
N-Acetylmuramic acid_M+5N-Acetylmuramic acidME278315-C02713-297.120543
N-Acetylmuramic acid_M+6N-Acetylmuramic acidME278316-C02713-298.123893
N-Acetylmuramic acid_M+7N-Acetylmuramic acidME278317-C02713-299.127243
N-Acetylmuramic acid_M+8N-Acetylmuramic acidME278318-C02713-300.130593
N-Acetylmuramic acid_M+9N-Acetylmuramic acidME278319-C02713-301.133943
N-Acetylneuraminic acid_M+0N-Acetylneuraminic acidME278298-C00270-308.0987
N-Acetylneuraminic acid_M+1N-Acetylneuraminic acidME278299-C00270-309.102058
N-Acetylneuraminic acid_M+10N-Acetylneuraminic acidME278308-C00270-318.132208
N-Acetylneuraminic acid_M+11N-Acetylneuraminic acidME278309-C00270-319.135558
N-Acetylneuraminic acid_M+2N-Acetylneuraminic acidME278300-C00270-310.105408
N-Acetylneuraminic acid_M+3N-Acetylneuraminic acidME278301-C00270-311.108758
N-Acetylneuraminic acid_M+4N-Acetylneuraminic acidME278302-C00270-312.112108
N-Acetylneuraminic acid_M+5N-Acetylneuraminic acidME278303-C00270-313.115458
N-Acetylneuraminic acid_M+6N-Acetylneuraminic acidME278304-C00270-314.118808
N-Acetylneuraminic acid_M+7N-Acetylneuraminic acidME278305-C00270-315.122158
N-Acetylneuraminic acid_M+8N-Acetylneuraminic acidME278306-C00270-316.125508
N-Acetylneuraminic acid_M+9N-Acetylneuraminic acidME278307-C00270-317.128858
N-Acetyl-β-alanine_M+0N-Acetyl-beta-alanineME278652-C01073-130.0510
N-Acetyl-β-alanine_M+1N-Acetyl-beta-alanineME278653-C01073-131.054318
N-Acetyl-β-alanine_M+2N-Acetyl-beta-alanineME278654-C01073-132.057668
N-Acetyl-β-alanine_M+3N-Acetyl-beta-alanineME278655-C01073-133.061018
N-Acetyl-β-alanine_M+4N-Acetyl-beta-alanineME278656-C01073-134.064368
N-Acetyl-β-alanine_M+5N-Acetyl-beta-alanineME278657-C01073-135.067718
NADH_M+0NADHME278473-C00004-664.1175
NADH_M+1NADHME278474-C00004-665.120853
NADH_M+10NADHME278483-C00004-674.151003
NADH_M+11NADHME278484-C00004-675.154353
NADH_M+12NADHME278485-C00004-676.157703
NADH_M+13NADHME278486-C00004-677.161053
NADH_M+14NADHME278487-C00004-678.164403
NADH_M+15NADHME278488-C00004-679.167753
NADH_M+16NADHME278489-C00004-680.171103
NADH_M+17NADHME278490-C00004-681.174453
NADH_M+18NADHME278491-C00004-682.177803
NADH_M+19NADHME278492-C00004-683.181153
NADH_M+2NADHME278475-C00004-666.124203
NADH_M+20NADHME278493-C00004-684.184503
NADH_M+21NADHME278494-C00004-685.187853
NADH_M+3NADHME278476-C00004-667.127553
NADH_M+4NADHME278477-C00004-668.130903
NADH_M+5NADHME278478-C00004-669.134253
NADH_M+6NADHME278479-C00004-670.137603
NADH_M+7NADHME278480-C00004-671.140953
NADH_M+8NADHME278481-C00004-672.144303
NADH_M+9NADHME278482-C00004-673.147653
NAD+_M+0NAD+ME278239-C00003-662.1019
NAD+_M+1NAD+ME278240-C00003-663.105203
NAD+_M+10NAD+ME278249-C00003-672.135353
NAD+_M+11NAD+ME278250-C00003-673.138703
NAD+_M+12NAD+ME278251-C00003-674.142053
NAD+_M+13NAD+ME278252-C00003-675.145403
NAD+_M+14NAD+ME278253-C00003-676.148753
NAD+_M+15NAD+ME278254-C00003-677.152103
NAD+_M+16NAD+ME278255-C00003-678.155453
NAD+_M+17NAD+ME278256-C00003-679.158803
NAD+_M+18NAD+ME278257-C00003-680.162153
NAD+_M+19NAD+ME278258-C00003-681.165503
NAD+_M+2NAD+ME278241-C00003-664.108553
NAD+_M+20NAD+ME278259-C00003-682.168853
NAD+_M+21NAD+ME278260-C00003-683.172203
NAD+_M+3NAD+ME278242-C00003-665.111903
NAD+_M+4NAD+ME278243-C00003-666.115253
NAD+_M+5NAD+ME278244-C00003-667.118603
NAD+_M+6NAD+ME278245-C00003-668.121953
NAD+_M+7NAD+ME278246-C00003-669.125303
NAD+_M+8NAD+ME278247-C00003-670.128653
NAD+_M+9NAD+ME278248-C00003-671.132003
NADPH_divalent_M+0NADPHME278984-C00005-371.5383
NADPH_divalent_M+1NADPHME278985-C00005-372.54163
NADPH_divalent_M+10NADPHME278994-C00005-381.57178
NADPH_divalent_M+11NADPHME278995-C00005-382.57513
NADPH_divalent_M+12NADPHME278996-C00005-383.57848
NADPH_divalent_M+13NADPHME278997-C00005-384.58183
NADPH_divalent_M+14NADPHME278998-C00005-385.58518
NADPH_divalent_M+15NADPHME278999-C00005-386.58853
NADPH_divalent_M+16NADPHME279000-C00005-387.59188
NADPH_divalent_M+17NADPHME279001-C00005-388.59523
NADPH_divalent_M+18NADPHME279002-C00005-389.59858
NADPH_divalent_M+19NADPHME279003-C00005-390.60193
NADPH_divalent_M+2NADPHME278986-C00005-373.54498
NADPH_divalent_M+20NADPHME279004-C00005-391.60528
NADPH_divalent_M+21NADPHME279005-C00005-392.60863
NADPH_divalent_M+3NADPHME278987-C00005-374.54833
NADPH_divalent_M+4NADPHME278988-C00005-375.55168
NADPH_divalent_M+5NADPHME278989-C00005-376.55503
NADPH_divalent_M+6NADPHME278990-C00005-377.55838
NADPH_divalent_M+7NADPHME278991-C00005-378.56173
NADPH_divalent_M+8NADPHME278992-C00005-379.56508
NADPH_divalent_M+9NADPHME278993-C00005-380.56843
NADP+_M+0NADP+ME278723-C00006-742.0682
NADP+_M+1NADP+ME278724-C00006-743.071536
NADP+_M+10NADP+ME278733-C00006-752.101686
NADP+_M+11NADP+ME278734-C00006-753.105036
NADP+_M+12NADP+ME278735-C00006-754.108386
NADP+_M+13NADP+ME278736-C00006-755.111736
NADP+_M+14NADP+ME278737-C00006-756.115086
NADP+_M+15NADP+ME278738-C00006-757.118436
NADP+_M+16NADP+ME278739-C00006-758.121786
NADP+_M+17NADP+ME278740-C00006-759.125136
NADP+_M+18NADP+ME278741-C00006-760.128486
NADP+_M+19NADP+ME278742-C00006-761.131836
NADP+_M+2NADP+ME278725-C00006-744.074886
NADP+_M+20NADP+ME278743-C00006-762.135186
NADP+_M+21NADP+ME278744-C00006-763.138536
NADP+_M+3NADP+ME278726-C00006-745.078236
NADP+_M+4NADP+ME278727-C00006-746.081586
NADP+_M+5NADP+ME278728-C00006-747.084936
NADP+_M+6NADP+ME278729-C00006-748.088286
NADP+_M+7NADP+ME278730-C00006-749.091636
NADP+_M+8NADP+ME278731-C00006-750.094986
NADP+_M+9NADP+ME278732-C00006-751.098336
N-Carbamoylaspartic acid_M+0N-Carbamoylaspartic acidME279195-C00438-175.0360
N-Carbamoylaspartic acid_M+1N-Carbamoylaspartic acidME279196-C00438-176.039397
N-Carbamoylaspartic acid_M+2N-Carbamoylaspartic acidME279197-C00438-177.042747
N-Carbamoylaspartic acid_M+3N-Carbamoylaspartic acidME279198-C00438-178.046097
N-Carbamoylaspartic acid_M+4N-Carbamoylaspartic acidME279199-C00438-179.049447
N-Carbamoylaspartic acid_M+5N-Carbamoylaspartic acidME279200-C00438-180.052797
NDS_divalent-ME279187---150.9782985
Nicotinamide hypoxanthine dinucleotide_M+0Nicotinamide purin-6-ol-dinucleotideME278261-C04423-663.0859
Nicotinamide hypoxanthine dinucleotide_M+1Nicotinamide purin-6-ol-dinucleotideME278262-C04423-664.089219
Nicotinamide hypoxanthine dinucleotide_M+10Nicotinamide purin-6-ol-dinucleotideME278271-C04423-673.119369
Nicotinamide hypoxanthine dinucleotide_M+11Nicotinamide purin-6-ol-dinucleotideME278272-C04423-674.122719
Nicotinamide hypoxanthine dinucleotide_M+12Nicotinamide purin-6-ol-dinucleotideME278273-C04423-675.126069
Nicotinamide hypoxanthine dinucleotide_M+13Nicotinamide purin-6-ol-dinucleotideME278274-C04423-676.129419
Nicotinamide hypoxanthine dinucleotide_M+14Nicotinamide purin-6-ol-dinucleotideME278275-C04423-677.132769
Nicotinamide hypoxanthine dinucleotide_M+15Nicotinamide purin-6-ol-dinucleotideME278276-C04423-678.136119
Nicotinamide hypoxanthine dinucleotide_M+16Nicotinamide purin-6-ol-dinucleotideME278277-C04423-679.139469
Nicotinamide hypoxanthine dinucleotide_M+17Nicotinamide purin-6-ol-dinucleotideME278278-C04423-680.142819
Nicotinamide hypoxanthine dinucleotide_M+18Nicotinamide purin-6-ol-dinucleotideME278279-C04423-681.146169
Nicotinamide hypoxanthine dinucleotide_M+19Nicotinamide purin-6-ol-dinucleotideME278280-C04423-682.149519
Nicotinamide hypoxanthine dinucleotide_M+2Nicotinamide purin-6-ol-dinucleotideME278263-C04423-665.092569
Nicotinamide hypoxanthine dinucleotide_M+20Nicotinamide purin-6-ol-dinucleotideME278281-C04423-683.152869
Nicotinamide hypoxanthine dinucleotide_M+21Nicotinamide purin-6-ol-dinucleotideME278282-C04423-684.156219
Nicotinamide hypoxanthine dinucleotide_M+3Nicotinamide purin-6-ol-dinucleotideME278264-C04423-666.095919
Nicotinamide hypoxanthine dinucleotide_M+4Nicotinamide purin-6-ol-dinucleotideME278265-C04423-667.099269
Nicotinamide hypoxanthine dinucleotide_M+5Nicotinamide purin-6-ol-dinucleotideME278266-C04423-668.102619
Nicotinamide hypoxanthine dinucleotide_M+6Nicotinamide purin-6-ol-dinucleotideME278267-C04423-669.105969
Nicotinamide hypoxanthine dinucleotide_M+7Nicotinamide purin-6-ol-dinucleotideME278268-C04423-670.109319
Nicotinamide hypoxanthine dinucleotide_M+8Nicotinamide purin-6-ol-dinucleotideME278269-C04423-671.112669
Nicotinamide hypoxanthine dinucleotide_M+9Nicotinamide purin-6-ol-dinucleotideME278270-C04423-672.116019
O-Phosphoserine_M+0DL-O-PhosphoserineME279113-C01005-184.0017
O-Phosphoserine_M+1DL-O-PhosphoserineME279114-C01005-185.005001
O-Phosphoserine_M+2DL-O-PhosphoserineME279115-C01005-186.008351
O-Phosphoserine_M+3DL-O-PhosphoserineME279116-C01005-187.011701
O-Succinylhomoserine_M+0o-SuccinylhomoserineME279099-C01118-218.0670
O-Succinylhomoserine_M+1o-SuccinylhomoserineME279100-C01118-219.070363
O-Succinylhomoserine_M+2o-SuccinylhomoserineME279101-C01118-220.073713
O-Succinylhomoserine_M+3o-SuccinylhomoserineME279102-C01118-221.077063
O-Succinylhomoserine_M+4o-SuccinylhomoserineME279103-C01118-222.080413
O-Succinylhomoserine_M+5o-SuccinylhomoserineME279104-C01118-223.083763
O-Succinylhomoserine_M+6o-SuccinylhomoserineME279105-C01118-224.087113
O-Succinylhomoserine_M+7o-SuccinylhomoserineME279106-C01118-225.090463
O-Succinylhomoserine_M+8o-SuccinylhomoserineME279107-C01118-226.093813
Pantothenic acid_M+0Pantothenic acidME278333-C00864-218.1034
Pantothenic acid_M+1Pantothenic acidME278334-C00864-219.106748
Pantothenic acid_M+2Pantothenic acidME278335-C00864-220.110098
Pantothenic acid_M+3Pantothenic acidME278336-C00864-221.113448
Pantothenic acid_M+4Pantothenic acidME278337-C00864-222.116798
Pantothenic acid_M+5Pantothenic acidME278338-C00864-223.120148
Pantothenic acid_M+6Pantothenic acidME278339-C00864-224.123498
Pantothenic acid_M+7Pantothenic acidME278340-C00864-225.126848
Pantothenic acid_M+8Pantothenic acidME278341-C00864-226.130198
Pantothenic acid_M+9Pantothenic acidME278342-C00864-227.133548
Pelargonic acid_M+0Pelargonic acidME278448-C01601-157.1234
Pelargonic acid_M+1Pelargonic acidME278449-C01601-158.126754
Pelargonic acid_M+2Pelargonic acidME278450-C01601-159.130104
Pelargonic acid_M+3Pelargonic acidME278451-C01601-160.133454
Pelargonic acid_M+4Pelargonic acidME278452-C01601-161.136804
Pelargonic acid_M+5Pelargonic acidME278453-C01601-162.140154
Pelargonic acid_M+6Pelargonic acidME278454-C01601-163.143504
Pelargonic acid_M+7Pelargonic acidME278455-C01601-164.146854
Pelargonic acid_M+8Pelargonic acidME278456-C01601-165.150204
Pelargonic acid_M+9Pelargonic acidME278457-C01601-166.153554
Phosphocreatine_M+0PhosphocreatineME279108-C02305-210.0285
Phosphocreatine_M+1PhosphocreatineME279109-C02305-211.031884
Phosphocreatine_M+2PhosphocreatineME279110-C02305-212.035234
Phosphocreatine_M+3PhosphocreatineME279111-C02305-213.038584
Phosphocreatine_M+4PhosphocreatineME279112-C02305-214.041934
Phosphoenolpyruvic acid_M+0Phosphoenolpyruvic acidME279222-C00074-166.9751
Phosphoenolpyruvic acid_M+1Phosphoenolpyruvic acidME279223-C00074-167.978452
Phosphoenolpyruvic acid_M+2Phosphoenolpyruvic acidME279224-C00074-168.981802
Phosphoenolpyruvic acid_M+3Phosphoenolpyruvic acidME279225-C00074-169.985152
Phytic acid_divalent_M+0Myo-inositol hexakisphosphateME279201-C01204-328.9234
Phytic acid_divalent_M+1Myo-inositol hexakisphosphateME279202-C01204-329.926768
Phytic acid_divalent_M+2Myo-inositol hexakisphosphateME279203-C01204-330.930118
Phytic acid_divalent_M+3Myo-inositol hexakisphosphateME279204-C01204-331.933468
Phytic acid_divalent_M+4Myo-inositol hexakisphosphateME279205-C01204-332.936818
Phytic acid_divalent_M+5Myo-inositol hexakisphosphateME279206-C01204-333.940168
Phytic acid_divalent_M+6Myo-inositol hexakisphosphateME279207-C01204-334.943518
Propionic acid_M+0Propionic acidME278924-C00163-73.0295
Propionic acid_M+1Propionic acidME278925-C00163-74.032854
Propionic acid_M+2Propionic acidME278926-C00163-75.036204
Propionic acid_M+3Propionic acidME278927-C00163-76.039554
PRPP_M+0Phosphoribosyl pyrophosphateME279208-C00119-388.9445
PRPP_M+1Phosphoribosyl pyrophosphateME279209-C00119-389.947898
PRPP_M+2Phosphoribosyl pyrophosphateME279210-C00119-390.951248
PRPP_M+3Phosphoribosyl pyrophosphateME279211-C00119-391.954598
PRPP_M+4Phosphoribosyl pyrophosphateME279212-C00119-392.957948
PRPP_M+5Phosphoribosyl pyrophosphateME279213-C00119-393.961298
p-Toluic acid-M+04-Methylbenzoic acidME278676-C01454-135.0452
p-Toluic acid-M+14-Methylbenzoic acidME278677-C01454-136.048504
p-Toluic acid-M+24-Methylbenzoic acidME278678-C01454-137.051854
p-Toluic acid-M+34-Methylbenzoic acidME278679-C01454-138.055204
p-Toluic acid-M+44-Methylbenzoic acidME278680-C01454-139.058554
p-Toluic acid-M+54-Methylbenzoic acidME278681-C01454-140.061904
p-Toluic acid-M+64-Methylbenzoic acidME278682-C01454-141.065254
p-Toluic acid-M+74-Methylbenzoic acidME278683-C01454-142.068604
p-Toluic acid-M+84-Methylbenzoic acidME278684-C01454-143.071954
Pyruvic acid_M+0Pyruvic acidME279154-C00022-87.0088
Pyruvic acid_M+1Pyruvic acidME279155-C00022-88.012119
Pyruvic acid_M+2Pyruvic acidME279156-C00022-89.015469
Pyruvic acid_M+3Pyruvic acidME279157-C00022-90.018819
Quinic acid_M+0Quinic acidME278502-C00296-191.0561
Quinic acid_M+1Quinic acidME278503-C00296-192.059464
Quinic acid_M+2Quinic acidME278504-C00296-193.062814
Quinic acid_M+3Quinic acidME278505-C00296-194.066164
Quinic acid_M+4Quinic acidME278506-C00296-195.069514
Quinic acid_M+5Quinic acidME278507-C00296-196.072864
Quinic acid_M+6Quinic acidME278508-C00296-197.076214
Quinic acid_M+7Quinic acidME278509-C00296-198.079564
Ribose 5-phosphate_M+0Ribose 5-phosphateME278881-C00117-229.0119
Ribose 5-phosphate_M+1Ribose 5-phosphateME278882-C00117-230.015232
Ribose 5-phosphate_M+2Ribose 5-phosphateME278883-C00117-231.018582
Ribose 5-phosphate_M+3Ribose 5-phosphateME278884-C00117-232.021932
Ribose 5-phosphate_M+4Ribose 5-phosphateME278885-C00117-233.025282
Ribose 5-phosphate_M+5Ribose 5-phosphateME278886-C00117-234.028632
Ribulose 5-phosphate_M+0Ribulose 5-phosphateME278951-C00199,C01101-229.0119
Ribulose 5-phosphate_M+1Ribulose 5-phosphateME278952-C00199,C01101-230.015232
Ribulose 5-phosphate_M+2Ribulose 5-phosphateME278953-C00199,C01101-231.018582
Ribulose 5-phosphate_M+3Ribulose 5-phosphateME278954-C00199,C01101-232.021932
Ribulose 5-phosphate_M+4Ribulose 5-phosphateME278955-C00199,C01101-233.025282
Ribulose 5-phosphate_M+5Ribulose 5-phosphateME278956-C00199,C01101-234.028632
Sedoheptulose 7-phosphate_M+0Sedoheptulose 7-phosphateME278820-C05382-289.0330
Sedoheptulose 7-phosphate_M+1Sedoheptulose 7-phosphateME278821-C05382-290.036362
Sedoheptulose 7-phosphate_M+2Sedoheptulose 7-phosphateME278822-C05382-291.039712
Sedoheptulose 7-phosphate_M+3Sedoheptulose 7-phosphateME278823-C05382-292.043062
Sedoheptulose 7-phosphate_M+4Sedoheptulose 7-phosphateME278824-C05382-293.046412
Sedoheptulose 7-phosphate_M+5Sedoheptulose 7-phosphateME278825-C05382-294.049762
Sedoheptulose 7-phosphate_M+6Sedoheptulose 7-phosphateME278826-C05382-295.053112
Sedoheptulose 7-phosphate_M+7Sedoheptulose 7-phosphateME278827-C05382-296.056462
Succinic acid_M+0Succinic acidME279226-C00042-117.0193
Succinic acid_M+1Succinic acidME279227-C00042-118.022684
Succinic acid_M+2Succinic acidME279228-C00042-119.026034
Succinic acid_M+3Succinic acidME279229-C00042-120.029384
Succinic acid_M+4Succinic acidME279230-C00042-121.032734
Threonic acid_M+0Threonic acidME278694-C01620-135.0299
Threonic acid_M+1Threonic acidME278695-C01620-136.033249
Threonic acid_M+2Threonic acidME278696-C01620-137.036599
Threonic acid_M+3Threonic acidME278697-C01620-138.039949
Threonic acid_M+4Threonic acidME278698-C01620-139.043299
trans-Cinnamic acid?_M+0trans-Cinnamic acidME278635-C00423-147.0452
trans-Cinnamic acid?_M+1trans-Cinnamic acidME278636-C00423-148.048504
trans-Cinnamic acid?_M+2trans-Cinnamic acidME278637-C00423-149.051854
trans-Cinnamic acid?_M+3trans-Cinnamic acidME278638-C00423-150.055204
trans-Cinnamic acid?_M+4trans-Cinnamic acidME278639-C00423-151.058554
trans-Cinnamic acid?_M+5trans-Cinnamic acidME278640-C00423-152.061904
trans-Cinnamic acid?_M+6trans-Cinnamic acidME278641-C00423-153.065254
trans-Cinnamic acid?_M+7trans-Cinnamic acidME278642-C00423-154.068604
trans-Cinnamic acid?_M+8trans-Cinnamic acidME278643-C00423-155.071954
trans-Cinnamic acid?_M+9trans-Cinnamic acidME278644-C00423-156.075304
Trimesic acid-ME279254---209.009164
UDP-glucose or UDP-galactose_M+0-ME278606-C00029-565.0478
UDP-glucose or UDP-galactose_M+1-ME278607-C00029-566.051103
UDP-glucose or UDP-galactose_M+10-ME278616-C00029-575.081253
UDP-glucose or UDP-galactose_M+11-ME278617-C00029-576.084603
UDP-glucose or UDP-galactose_M+12-ME278618-C00029-577.087953
UDP-glucose or UDP-galactose_M+13-ME278619-C00029-578.091303
UDP-glucose or UDP-galactose_M+14-ME278620-C00029-579.094653
UDP-glucose or UDP-galactose_M+15-ME278621-C00029-580.098003
UDP-glucose or UDP-galactose_M+2-ME278608-C00029-567.054453
UDP-glucose or UDP-galactose_M+3-ME278609-C00029-568.057803
UDP-glucose or UDP-galactose_M+4-ME278610-C00029-569.061153
UDP-glucose or UDP-galactose_M+5-ME278611-C00029-570.064503
UDP-glucose or UDP-galactose_M+6-ME278612-C00029-571.067853
UDP-glucose or UDP-galactose_M+7-ME278613-C00029-572.071203
UDP-glucose or UDP-galactose_M+8-ME278614-C00029-573.074553
UDP-glucose or UDP-galactose_M+9-ME278615-C00029-574.077903
UDP-glucuronic acid_M+0UDP-glucuronic acidME278957-C00167-579.0270
UDP-glucuronic acid_M+1UDP-glucuronic acidME278958-C00167-580.030368
UDP-glucuronic acid_M+10UDP-glucuronic acidME278967-C00167-589.060518
UDP-glucuronic acid_M+11UDP-glucuronic acidME278968-C00167-590.063868
UDP-glucuronic acid_M+12UDP-glucuronic acidME278969-C00167-591.067218
UDP-glucuronic acid_M+13UDP-glucuronic acidME278970-C00167-592.070568
UDP-glucuronic acid_M+14UDP-glucuronic acidME278971-C00167-593.073918
UDP-glucuronic acid_M+15UDP-glucuronic acidME278972-C00167-594.077268
UDP-glucuronic acid_M+2UDP-glucuronic acidME278959-C00167-581.033718
UDP-glucuronic acid_M+3UDP-glucuronic acidME278960-C00167-582.037068
UDP-glucuronic acid_M+4UDP-glucuronic acidME278961-C00167-583.040418
UDP-glucuronic acid_M+5UDP-glucuronic acidME278962-C00167-584.043768
UDP-glucuronic acid_M+6UDP-glucuronic acidME278963-C00167-585.047118
UDP-glucuronic acid_M+7UDP-glucuronic acidME278964-C00167-586.050468
UDP-glucuronic acid_M+8UDP-glucuronic acidME278965-C00167-587.053818
UDP-glucuronic acid_M+9UDP-glucuronic acidME278966-C00167-588.057168
UDP_M+0UDPME279042-C00015-402.9949
UDP_M+1UDPME279043-C00015-403.998278
UDP_M+2UDPME279044-C00015-405.001628
UDP_M+3UDPME279045-C00015-406.004978
UDP_M+4UDPME279046-C00015-407.008328
UDP_M+5UDPME279047-C00015-408.011678
UDP_M+6UDPME279048-C00015-409.015028
UDP_M+7UDPME279049-C00015-410.018378
UDP_M+8UDPME279050-C00015-411.021728
UDP_M+9UDPME279051-C00015-412.025078
UDP-N-acetylglucosamine_M+0UDP-N-acetylglucosamineME278544-C00043-606.0743
UDP-N-acetylglucosamine_M+1UDP-N-acetylglucosamineME278545-C00043-607.077652
UDP-N-acetylglucosamine_M+10UDP-N-acetylglucosamineME278554-C00043-616.107802
UDP-N-acetylglucosamine_M+11UDP-N-acetylglucosamineME278555-C00043-617.111152
UDP-N-acetylglucosamine_M+12UDP-N-acetylglucosamineME278556-C00043-618.114502
UDP-N-acetylglucosamine_M+13UDP-N-acetylglucosamineME278557-C00043-619.117852
UDP-N-acetylglucosamine_M+14UDP-N-acetylglucosamineME278558-C00043-620.121202
UDP-N-acetylglucosamine_M+15UDP-N-acetylglucosamineME278559-C00043-621.124552
UDP-N-acetylglucosamine_M+16UDP-N-acetylglucosamineME278560-C00043-622.127902
UDP-N-acetylglucosamine_M+17UDP-N-acetylglucosamineME278561-C00043-623.131252
UDP-N-acetylglucosamine_M+2UDP-N-acetylglucosamineME278546-C00043-608.081002
UDP-N-acetylglucosamine_M+3UDP-N-acetylglucosamineME278547-C00043-609.084352
UDP-N-acetylglucosamine_M+4UDP-N-acetylglucosamineME278548-C00043-610.087702
UDP-N-acetylglucosamine_M+5UDP-N-acetylglucosamineME278549-C00043-611.091052
UDP-N-acetylglucosamine_M+6UDP-N-acetylglucosamineME278550-C00043-612.094402
UDP-N-acetylglucosamine_M+7UDP-N-acetylglucosamineME278551-C00043-613.097752
UDP-N-acetylglucosamine_M+8UDP-N-acetylglucosamineME278552-C00043-614.101102
UDP-N-acetylglucosamine_M+9UDP-N-acetylglucosamineME278553-C00043-615.104452
UMP_M+0UMPME278835-C00105-323.0286
UMP_M+1UMPME278836-C00105-324.031945
UMP_M+2UMPME278837-C00105-325.035295
UMP_M+3UMPME278838-C00105-326.038645
UMP_M+4UMPME278839-C00105-327.041995
UMP_M+5UMPME278840-C00105-328.045345
UMP_M+6UMPME278841-C00105-329.048695
UMP_M+7UMPME278842-C00105-330.052045
UMP_M+8UMPME278843-C00105-331.055395
UMP_M+9UMPME278844-C00105-332.058745
Uric acid_M+0Uric acidME278629-C00366-167.0211
Uric acid_M+1Uric acidME278630-C00367-168.024415
Uric acid_M+2Uric acidME278631-C00368-169.027765
Uric acid_M+3Uric acidME278632-C00369-170.031115
Uric acid_M+4Uric acidME278633-C00370-171.034465
Uric acid_M+5Uric acidME278634-C00371-172.037815
UTP_M+0UTPME279137-C00075-482.9613
UTP_M+1UTPME279138-C00075-483.964611
UTP_M+2UTPME279139-C00075-484.967961
UTP_M+3UTPME279140-C00075-485.971311
UTP_M+4UTPME279141-C00075-486.974661
UTP_M+5UTPME279142-C00075-487.978011
UTP_M+6UTPME279143-C00075-488.981361
UTP_M+7UTPME279144-C00075-489.984711
UTP_M+8UTPME279145-C00075-490.988061
UTP_M+9UTPME279146-C00075-491.991411
Valeric acid_M+0Valeric acidME278717-C00803-101.0608
Valeric acid_M+1Valeric acidME278718-C00803-102.064154
Valeric acid_M+2Valeric acidME278719-C00803-103.067504
Valeric acid_M+3Valeric acidME278720-C00803-104.070854
Valeric acid_M+4Valeric acidME278721-C00803-105.074204
Valeric acid_M+5Valeric acidME278722-C00803-106.077554
Xylulose 5-phosphate_M+0Xylulose 5-phosphateME278928-C00231,C03291-229.0119
Xylulose 5-phosphate_M+1Xylulose 5-phosphateME278929-C00231,C03291-230.015232
Xylulose 5-phosphate_M+2Xylulose 5-phosphateME278930-C00231,C03291-231.018582
Xylulose 5-phosphate_M+3Xylulose 5-phosphateME278931-C00231,C03291-232.021932
Xylulose 5-phosphate_M+4Xylulose 5-phosphateME278932-C00231,C03291-233.025282
Xylulose 5-phosphate_M+5Xylulose 5-phosphateME278933-C00231,C03291-234.028632


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