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SelectMetabolite Name Metabolite Id Refmet Name Ret. Index Quant. m/z Analysis Display
2-Methyl-3-ketovalericacid ME651195 2-Methyl-3-ketovaleric acid 3.7412422-MS negative ion mode/C18
2-Methyl-3-ketovalericacid-3.9406526 ME651196 2-Methyl-3-ketovaleric acid 3.9406526-MS negative ion mode/C18
2-propyl-tridecanoicacid ME651197 2-Propyl-tridecanoic acid 14.144142-MS negative ion mode/C18
3-Methylpimelicacid ME651204 3-Methylpimelic acid 5.046156-MS negative ion mode/C18
3-Methylsubericacid ME651205 3-Methylsuberic acid 5.7627726-MS negative ion mode/C18
4,8-dimethyl-dodecanoicacid ME651207 4,8-Dimethyl-dodecanoic acid 13.080509-MS negative ion mode/C18
Acetoaceticacid ME651221 Acetoacetic acid 0.90567994-MS negative ion mode/C18
Acetoaceticacid-1.2563984 ME651222 Acetoacetic acid 1.2563984-MS negative ion mode/C18
a-hydroxybutyrate ME651227 2-Hydroxybutyric acid 2.6810246-MS negative ion mode/C18
a-hydroxyisovalerate ME651228 2-Hydroxy-3-methylbutyric acid 3.247896-MS negative ion mode/C18
a-hydroxyisovalerate-3.5743096 ME651229 2-Hydroxy-3-methylbutyric acid 3.5743096-MS negative ion mode/C18
alpha-hydroxyisobutyrate ME651231 2-Hydroxyisobutyric acid 2.2812312-MS negative ion mode/C18
alpha-hydroxyisobutyrate-1.2596271 ME651232 2-Hydroxyisobutyric acid 1.2596271-MS negative ion mode/C18
alpha-hydroxyisobutyrate-2.5388858 ME651233 2-Hydroxyisobutyric acid 2.5388858-MS negative ion mode/C18
beta-hydroxybutyrate ME651253 3-Hydroxybutyric acid 3.4044995-MS negative ion mode/C18
Citraconicacid ME651267 Citraconic acid 1.0285413-MS negative ion mode/C18
ethylmalonicacid ME651298 Ethylmalonic acid 3.2349224-MS negative ion mode/C18
Glutaconicacid ME651303 Glutaconic acid 0.8959234-MS negative ion mode/C18
Glutaconicacid-1.257499 ME651304 Glutaconic acid 1.257499-MS negative ion mode/C18
Glutaconicacid-1.6951267 ME651305 Glutaconic acid 1.6951267-MS negative ion mode/C18
Glutaconicacid-1.7573386 ME651306 Glutaconic acid 1.7573386-MS negative ion mode/C18
Glycolicacid ME651314 Glycolic acid 0.91225773-MS negative ion mode/C18
Lauricacid ME651339 Lauric acid 11.852597-MS negative ion mode/C18
Oxaloglutarate ME651367 2-Oxaloglutaric acid 0.88505715-MS negative ion mode/C18
(R)-3-Methyl-2-oxobutanoate ME651168 Ketoisovaleric acid 3.76955-MS negative ion mode/C18
(S)-2-Hydroxyglutarate ME651169 2-Hydroxyglutaric acid 1.8771077-MS negative ion mode/C18
S-Succinyldihydrolipoamide ME651404 S(8)-Succinyldihydrolipoamide 0.9653422-MS negative ion mode/C18
12-oxo-10Z-dodecenoicacid ME651423 12-Oxo-10Z-dodecenoic acid 1.0445383-MS negative ion mode/HILIC
14-pentadecynoicacid ME651425 14-Pentadecynoic acid 1.050736-MS negative ion mode/HILIC
2,3-Dihydroxy-3-methylvalericacid ME651430 2,3-Dihydroxy-3-methylvaleric acid 1.7424604-MS negative ion mode/HILIC
2-Naphthaleneaceticacid,6-hydroxy- ME651451 2-Octenoic acid 0.8052818-MS negative ion mode/HILIC
2-Naphthaleneaceticacid,6-hydroxy--3.1083467 ME651452 2-Octenoic acid 3.1083467-MS negative ion mode/HILIC
2-Naphthaleneaceticacid,6-hydroxy--3.220013 ME651453 2-Octenoic acid 3.220013-MS negative ion mode/HILIC
2-Oxo-4-methylthiobutanoicacid ME651454 2-Oxo-4-methylthiobutanoic acid 1.2991978-MS negative ion mode/HILIC
2-Propylglutaricacid ME651455 2-Propylglutaric acid 1.307249-MS negative ion mode/HILIC
2-propyl-tridecanoicacid ME651456 2-Propyl-tridecanoic acid 1.045552-MS negative ion mode/HILIC
2-propyl-tridecanoicacid-1.9754443 ME651457 2-Propyl-tridecanoic acid 1.9754443-MS negative ion mode/HILIC
3-dodecynoicacid ME651465 3-Dodecynoic acid 1.0513127-MS negative ion mode/HILIC
3E,5E-tridecadienoicacid ME651466 3E,5E-Tridecadienoic acid 1.1176943-MS negative ion mode/HILIC
3-Hydroxydodecanedioicacid ME651469 3-Hydroxy-dodecanedioic acid 1.0771362-MS negative ion mode/HILIC
3-Methylsubericacid ME651471 3-Methylsuberic acid 1.2524943-MS negative ion mode/HILIC
3-oxo-dodecanoicacid ME651472 3-Oxododecanoic acid 0.90155995-MS negative ion mode/HILIC
4,8-dimethyl-dodecanoicacid ME651473 4,8-Dimethyl-dodecanoic acid 1.9757005-MS negative ion mode/HILIC
4-amino-4-cyano-butanoicacid ME651474 4-Amino-4-cyano-butanoic acid 2.9633734-MS negative ion mode/HILIC
4-hydroxypelargonicacid ME651475 4-Hydroxypelargonic acid 1.16755-MS negative ion mode/HILIC
(+)-6-methylcaprylicacid ME651418 6-Methyloctanoic acid 1.0773249-MS negative ion mode/HILIC
7-Hydroxyoctanoicacid ME651491 7-Hydroxyoctanoic acid 1.1834966-MS negative ion mode/HILIC
9-hydroxy-5Z-nonenoicacid ME651494 9-Hydroxy-5Z-nonenoic acid 1.1193868-MS negative ion mode/HILIC
9-lauroleicacid ME651495 9-Dodecenoic acid 1.0897377-MS negative ion mode/HILIC
Acetoaceticacid ME651496 Acetoacetic acid 1.0933565-MS negative ion mode/HILIC
Acetoaceticacid-2.7565882 ME651497 Acetoacetic acid 2.7565882-MS negative ion mode/HILIC
Acrylicacid ME651502 Acrylic acid 1.9864882-MS negative ion mode/HILIC
Acrylicacid-2.8973038 ME651503 Acrylic acid 2.8973038-MS negative ion mode/HILIC
a-hydroxybutyrate ME651505 2-Hydroxybutyric acid 1.3959937-MS negative ion mode/HILIC
a-hydroxybutyrate-1.537142 ME651506 2-Hydroxybutyric acid 1.537142-MS negative ion mode/HILIC
a-hydroxyisovalerate ME651507 2-Hydroxy-3-methylbutyric acid 1.3313369-MS negative ion mode/HILIC
a-hydroxyisovalerate-2.912282 ME651508 2-Hydroxy-3-methylbutyric acid 2.912282-MS negative ion mode/HILIC
alpha-hydroxyisobutyrate ME651513 2-Hydroxyisobutyric acid 3.114195-MS negative ion mode/HILIC
Citraconicacid ME651529 Citraconic acid 1.0144638-MS negative ion mode/HILIC
Citraconicacid-1.722686 ME651530 Citraconic acid 1.722686-MS negative ion mode/HILIC
Citraconicacid-2.040095 ME651531 Citraconic acid 2.040095-MS negative ion mode/HILIC
Crotonicacid ME651541 Crotonic acid 2.051878-MS negative ion mode/HILIC
Dihydroxyfumarate ME651565 (E)-2,3-Dihydroxybut-2-enedioic acid 3.1242528-MS negative ion mode/HILIC
D-Leucicacid ME651567 D-Leucic acid 1.3377998-MS negative ion mode/HILIC
Dodecanedioicacid ME651568 Dodecanedioic acid 1.1223992-MS negative ion mode/HILIC
ethylmalonicacid ME651578 Ethylmalonic acid 1.7097597-MS negative ion mode/HILIC
Glutaconicacid ME651589 Glutaconic acid 3.123567-MS negative ion mode/HILIC
Glycolate ME651593 Glycolic acid 1.9717411-MS negative ion mode/HILIC
Lauricacid ME651628 Lauric acid 1.9753349-MS negative ion mode/HILIC
n-HexanoicAcid ME651664 Caproic acid 1.1962534-MS negative ion mode/HILIC
Stearicacid ME651709 Stearic acid 1.0380771-MS negative ion mode/HILIC
Stearicacid-1.975433 ME651710 Stearic acid 1.975433-MS negative ion mode/HILIC
12-oxo-10Z-dodecenoicacid ME650132 12-Oxo-10Z-dodecenoic acid 9.341574-MS positive ion mode/C18
13E,17-octadecadienoicacid ME650136 13E,17-Octadecadienoic acid 11.929294-MS positive ion mode/C18
13E,17-octadecadienoicacid+12.112559 ME650137 13E,17-Octadecadienoic acid 12.112559-MS positive ion mode/C18
13E,17-octadecadienoicacid+12.351626 ME650138 13E,17-Octadecadienoic acid 12.351626-MS positive ion mode/C18
2-amino-tetradecanoicacid ME650181 2-Aminotetradecanoic acid 10.124633-MS positive ion mode/C18
2-decylenicacid ME650183 2-Decenoic acid 13.437946-MS positive ion mode/C18
2-Hydroxyadipicacid ME650187 2-Hydroxyadipic acid 0.65954983-MS positive ion mode/C18
2-Hydroxyadipicacid+0.9071934 ME650188 2-Hydroxyadipic acid 0.9071934-MS positive ion mode/C18
2-methylene-4-oxo-pentanedioicacid ME650197 2-Methylene-4-oxopentanedioic acid 1.2540514-MS positive ion mode/C18
2R-aminohexadecanoicacid ME650207 2R-Aminohexadecanoic acid 13.632786-MS positive ion mode/C18
3E,5E-tridecadienoicacid ME650219 3E,5E-Tridecadienoic acid 8.258902-MS positive ion mode/C18
3-Hydroxycapricacid ME650220 10-Hydroxydecanoic acid 4.474115-MS positive ion mode/C18
3-Hydroxycapricacid+4.517981 ME650221 10-Hydroxydecanoic acid 4.517981-MS positive ion mode/C18
3-Hydroxycapricacid+5.362054 ME650222 10-Hydroxydecanoic acid 5.362054-MS positive ion mode/C18
3-ketopalmiticacid ME650224 3-Ketopalmitic acid 11.097533-MS positive ion mode/C18
3-methyl-tetradecanedioicacid ME650226 3-Methyl-tetradecanedioic acid 11.875072-MS positive ion mode/C18
3-oxo-4-pentenoicacid ME650230 3-Oxo-4-pentenoic acid 0.9091948-MS positive ion mode/C18
3-oxo-4-pentenoicacid+2.9779496 ME650231 3-Oxo-4-pentenoic acid 2.9779496-MS positive ion mode/C18
4,12-dihydroxy-hexadecanoicacid ME650233 4,12-Dihydroxyhexadecanoic acid 12.011989-MS positive ion mode/C18
5,7-nonadienoicacid ME650245 5,7-Nonadienoic acid 7.2969785-MS positive ion mode/C18
5-oxo-7-decynoicacid ME650251 5-Oxo-7-Decynoic acid 4.084889-MS positive ion mode/C18
6,8-dihydroxy-octanoicacid ME650252 6,8-Dihydroxyoctanoic acid 3.409535-MS positive ion mode/C18
6,8-dihydroxy-octanoicacid+4.223625 ME650253 6,8-Dihydroxyoctanoic acid 4.223625-MS positive ion mode/C18
6,9-hexadecadienoicacid ME650254 6,9-Hexadecadienoic acid 11.004276-MS positive ion mode/C18
7,8-Diaminononanoate ME650257 7,8-Diaminononanoic acid 0.84767085-MS positive ion mode/C18
7,8-Diaminononanoate+0.86831826 ME650258 7,8-Diaminononanoic acid 0.86831826-MS positive ion mode/C18
7-palmitoleicacid ME650263 7-Palmitoleic acid 13.2631035-MS positive ion mode/C18
8-Amino-7-oxononanoate ME650265 8-Amino-7-oxononanoic acid 1.2293361-MS positive ion mode/C18
8-Amino-7-oxononanoate+4.7958198 ME650266 8-Amino-7-oxononanoic acid 4.7958198-MS positive ion mode/C18
8-Amino-7-oxononanoate+5.501855 ME650267 8-Amino-7-oxononanoic acid 5.501855-MS positive ion mode/C18
8-AminoCaprylicacid ME650268 8-Aminooctanoic acid 1.2355621-MS positive ion mode/C18
8S-hydroxy-2-Decene-4,6-diynoicacid ME650276 8S-Hydroxy-2-decene-4,6-diynoic acid 13.156081-MS positive ion mode/C18
9,12,14-octadecatrienoicacid ME650277 9,12,14-Octadecatrienoic acid 14.138994-MS positive ion mode/C18
9-lauroleicacid ME650280 9-Dodecenoic acid 10.667505-MS positive ion mode/C18
9-lauroleicacid+12.430359 ME650281 9-Dodecenoic acid 12.430359-MS positive ion mode/C18
Acetoaceticacid ME650282 Acetoacetic acid 0.9278046-MS positive ion mode/C18
beta-vinylacrylicacid ME650319 beta-Vinyl acrylic acid 0.9089631-MS positive ion mode/C18
beta-vinylacrylicacid+3.1429625 ME650320 beta-Vinyl acrylic acid 3.1429625-MS positive ion mode/C18
D-Leucicacid ME650389 D-Leucic acid 3.2223547-MS positive ion mode/C18
D-Leucicacid+3.3511949 ME650390 D-Leucic acid 3.3511949-MS positive ion mode/C18
D-Leucicacid+3.4208822 ME650391 D-Leucic acid 3.4208822-MS positive ion mode/C18
D-Leucicacid+3.683157 ME650392 D-Leucic acid 3.683157-MS positive ion mode/C18
D-Leucicacid+3.991298 ME650393 D-Leucic acid 3.991298-MS positive ion mode/C18
D-Leucicacid+4.228268 ME650394 D-Leucic acid 4.228268-MS positive ion mode/C18
Docosanedioicacid ME650395 Docosanedioic acid 11.854422-MS positive ion mode/C18
(E)-2-Methylglutaconicacid ME650123 2-Methylglutaconic acid 0.6715557-MS positive ion mode/C18
(E)-2-Methylglutaconicacid+0.8921491 ME650124 2-Methylglutaconic acid 0.8921491-MS positive ion mode/C18
(E)-2-Methylglutaconicacid+1.2437595 ME650125 2-Methylglutaconic acid 1.2437595-MS positive ion mode/C18
n-HexanoicAcid ME650548 Caproic acid 7.8916845-MS positive ion mode/C18
n-HexanoicAcid+3.6519935 ME650549 Caproic acid 3.6519935-MS positive ion mode/C18
Oxaloglutarate ME650562 2-Oxaloglutaric acid 0.77291054-MS positive ion mode/C18
11-amino-undecanoicacid ME650691 11-Aminoundecanoic acid 4.9766893-MS positive ion mode/HILIC
12-oxo-10Z-dodecenoicacid ME650696 12-Oxo-10Z-dodecenoic acid 1.0607969-MS positive ion mode/HILIC
12-oxo-9(Z)-dodecenoicacid ME650698 12-Oxo-9Z-dodecenoic acid 1.20553-MS positive ion mode/HILIC
20-oxo-heneicosanoicacid ME650727 20-Oxoheneicosanoic acid 1.0734895-MS positive ion mode/HILIC
2,3-Dihydroxyvalericacid ME650724 2,3-Dihydroxyvaleric acid 2.3090968-MS positive ion mode/HILIC
2,3-Dihydroxyvalericacid+2.514446 ME650725 2,3-Dihydroxyvaleric acid 2.514446-MS positive ion mode/HILIC
2-Aminoisobutyricacid ME650737 Aminoisobutyric acid 2.0614543-MS positive ion mode/HILIC
2-Hydroxyadipicacid ME650744 2-Hydroxyadipic acid 2.0382087-MS positive ion mode/HILIC
2-Hydroxyadipicacid+2.4058414 ME650745 2-Hydroxyadipic acid 2.4058414-MS positive ion mode/HILIC
2-Methyl-3-ketovalericacid ME650747 2-Methyl-3-ketovaleric acid 2.2828681-MS positive ion mode/HILIC
2-Octenedioicacid ME650749 2-Octenedioic acid 1.2225144-MS positive ion mode/HILIC
2-octynoicacid ME650750 2-Octynoic acid 1.18695-MS positive ion mode/HILIC
2-pentadecenoicacid ME650753 2-Pentadecenoic acid 1.014031-MS positive ion mode/HILIC
2R-aminoheptanoicacid ME650762 2R-Aminoheptanoic acid 1.2942362-MS positive ion mode/HILIC
3,5-hexadienoicacid ME650766 3,5-Hexadienoic acid 1.0575975-MS positive ion mode/HILIC
3E,5E-tridecadienoicacid ME650772 3E,5E-Tridecadienoic acid 1.1883309-MS positive ion mode/HILIC
3-ketopalmiticacid ME650775 3-Ketopalmitic acid 1.0943156-MS positive ion mode/HILIC
3-methyl-hexanoicacid ME650777 3-Methylcaproic acid 1.2008324-MS positive ion mode/HILIC
3-oxo-4-pentenoicacid ME650779 3-Oxo-4-pentenoic acid 1.2264602-MS positive ion mode/HILIC
3-oxo-4-pentenoicacid+2.3765612 ME650780 3-Oxo-4-pentenoic acid 2.3765612-MS positive ion mode/HILIC
3-oxo-4-pentenoicacid+2.409796 ME650781 3-Oxo-4-pentenoic acid 2.409796-MS positive ion mode/HILIC
3-oxo-4-pentenoicacid+2.7539575 ME650782 3-Oxo-4-pentenoic acid 2.7539575-MS positive ion mode/HILIC
4-dodecynoicacid ME650793 4-Dodecynoic acid 1.1849339-MS positive ion mode/HILIC
4-hydroxyenanthoicacid ME650795 4-Hydroxyenanthoic acid 5.878981-MS positive ion mode/HILIC
5,7-nonadienoicacid ME650802 5,7-Nonadienoic acid 1.1939015-MS positive ion mode/HILIC
5,7-nonadienoicacid+1.1411649 ME650803 5,7-Nonadienoic acid 1.1411649-MS positive ion mode/HILIC
5-oxo-7-decynoicacid ME650811 5-Oxo-7-Decynoic acid 1.1634408-MS positive ion mode/HILIC
6,8-dihydroxy-octanoicacid ME650813 6,8-Dihydroxyoctanoic acid 1.7909453-MS positive ion mode/HILIC
6-hydroxy-2-hexynoicacid ME650815 6-Hydroxy-2-hexynoic acid 2.0531142-MS positive ion mode/HILIC
8-Amino-7-oxononanoate ME650819 8-Amino-7-oxononanoic acid 1.4420108-MS positive ion mode/HILIC
8-AminoCaprylicacid ME650820 8-Aminooctanoic acid 6.692213-MS positive ion mode/HILIC
8-AminoCaprylicacid+6.1462584 ME650821 8-Aminooctanoic acid 6.1462584-MS positive ion mode/HILIC
8-methoxy-13-hydroxy-9,11-octadecadienoicacid ME650823 8-Methoxy-13-hydroxy-9,11-octadecadienoic acid 1.1073674-MS positive ion mode/HILIC
9-amino-nonanoicacid ME650824 9-Aminononanoic acid 4.493635-MS positive ion mode/HILIC
9-oxo-2E-decenoicacid ME650826 9-Oxo-2E-decenoic acid 1.1308458-MS positive ion mode/HILIC
9-oxo-2E-decenoicacid+1.1382291 ME650827 9-Oxo-2E-decenoic acid 1.1382291-MS positive ion mode/HILIC
Acrylicacid ME650839 Acrylic acid 2.5108657-MS positive ion mode/HILIC
beta-vinylacrylicacid ME650865 beta-Vinyl acrylic acid 2.3251603-MS positive ion mode/HILIC
beta-vinylacrylicacid+2.5160997 ME650866 beta-Vinyl acrylic acid 2.5160997-MS positive ion mode/HILIC
D-Leucicacid ME650924 D-Leucic acid 1.6581211-MS positive ion mode/HILIC
D-Leucicacid+1.786733 ME650925 D-Leucic acid 1.786733-MS positive ion mode/HILIC
D-Leucicacid+2.1470613 ME650926 D-Leucic acid 2.1470613-MS positive ion mode/HILIC
(E)-2-Methylglutaconicacid ME650676 2-Methylglutaconic acid 2.3901544-MS positive ion mode/HILIC
(E)-2-Methylglutaconicacid+2.4171734 ME650677 2-Methylglutaconic acid 2.4171734-MS positive ion mode/HILIC
(E)-2-Methylglutaconicacid+2.6466348 ME650678 2-Methylglutaconic acid 2.6466348-MS positive ion mode/HILIC
(E)-2-Methylglutaconicacid+2.796564 ME650679 2-Methylglutaconic acid 2.796564-MS positive ion mode/HILIC
(E)-2-Methylglutaconicacid+7.1963344 ME650680 2-Methylglutaconic acid 7.1963344-MS positive ion mode/HILIC
gamma-Aminobutryicacid ME650953 gamma-Aminobutyric acid 1.7883953-MS positive ion mode/HILIC
n-HexanoicAcid ME651063 Caproic acid 1.2316804-MS positive ion mode/HILIC
OctanoicAcid ME651076 Caprylic acid 1.1346442-MS positive ion mode/HILIC


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