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Analysis: Reversed phase POSITIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID
PubChem
Compound_ID
Kegg Id Retention
time/index
m/z ratio
7-dehydrocholesterol7-DehydrocholesterolME314884-C01164-367.336475
Adenosyl HomocysteineS-AdenosylhomocysteineME314885-C00021-385.129416
Adenosyl MethionineS-AdenosylmethionineME314886-C00019-399.145066
Arachidonic AcidArachidonic acidME314887-C00219-305.248055
CaffeineCaffeineME314888-C07481-195.088201
ChitobioseN,N'-DiacetylchitobioseME314889-C01674-425.177138
DHADHAME314890-C06429-329.248055
Dimethyl glycineDimethylglycineME314891-C01026-104.071154
EPAEPAME314892-C06428-303.232404
ErgosterolErgosterolME314893-C01694-379.336475
GlutathioneGlutathioneME314894-C00051-308.091634
Hydroxo B12HydroxocobalaminME314895-C08230-664.7861
IAAIndoleacetic acidME314896-C00954-176.071154
Indole 3 acetamide1H-Indole-3-acetamideME314897-C02693-175.087138
KynurenineKynurenineME314898-C00328-209.092618
Methyl indole 3 carboxylateMethyl indole-3-carboxylateME314899-NA-176.071154
PyridoxalPyridoxalME314900-C00250-168.066069
Pyridoxal PhosphatePyridoxal 5'-phosphateME314901-C00018-248.032402
trans RetinalRetinalME314902-C00376-285.22184
TryptophanTryptophanME314903-C00078-205.097703
Vanillic AcidVanillic acidME314904-C06672-169.050085
Vitamin B2RiboflavinME314905-C00255-377.146111
Vitamin B5Pantothenic acidME314906-C00864-220.118498
XanthineXanthineME314907-C00385-153.041251


Analysis: Reversed phase POSITIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID
PubChem
Compound_ID
Kegg Id Retention
time/index
m/z ratio
Glutathione DisulfideOxidized glutathioneME314908-C00127-613.159793
Methylthioadenosine5'-MethylthioadenosineME314909-C00170-298.097387
PhenylalaninePhenylalanineME314910-C00079-166.086804


Analysis: HILIC POSITIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID
PubChem
Compound_ID
Kegg Id Retention
time/index
m/z ratio
AlanineAlanineME314911-C00041-90.055504
Aminobutyric Acidgamma-Aminobutyric acidME314912-C00334-104.071154
ArginineArginineME314913-C00062-175.119501
AsparagineAsparagineME314914-C00152-133.061318
Aspartic acidAspartic acidME314915-C00049-134.045334
CholineCholineME314916-C00114-104.107539
CreatineCreatineME314917-C00300-132.077302
CystathionineCystathionineME314918-C02291-223.075255
GlucosylglycerolGlucosylglycerolME314919-C11547-255.107995
Glutamic acidGlutamic acidME314920-C00025-148.060984
GlutamineGlutamineME314921-C00064-147.076968
HistidineHistidineME314922-C00135-156.077302
Isoleucine-LeucineLeucine/IsoleucineME314923-C00123-132.102454
LysineLysineME314924-C00449-147.113353
MethionineMethionineME314925-C00073-150.058876
ProlineProlineME314926-C00148-116.071154
SarcosineSarcosineME314927-C00213-90.055504
SerineSerineME314928-C00065-106.050419
ThreonineThreonineME314929-C00188-120.066069
TyrosineTyrosineME314930-C00082-182.081719
ValineValineME314931-C00183-118.086804
Vitamin B3Nicotinic acidME314932-C00253-124.039854


Analysis: HILIC NEGATIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID
PubChem
Compound_ID
Kegg Id Retention
time/index
m/z ratio
Aconitic Acidcis-Aconitic acidME314933-C00417-173.008615
AMPAMPME314934-C00020-346.055262
cGMP3',5' cyclic GMPME314935-C00942-344.039613
Citric AcidCitric acidME314936-C00158-191.01918
Cysteic AcidCysteic acidME314937-C00506-167.996671
DHPS(2R)-3-sulfopropanediolME314938-C19675-155.001422
Gluconic AcidGluconic acidME314939-C00257-195.05048
glycerol 3 phosphatesn-Glycero-3-phosphateME314940-C00093-171.005853
GMPGMPME314941-C00144-362.050178
Isethionic Acid2-HydroxyethanesulfonateME314942-C05123-124.990857
Phosphoglyceric AcidPhosphoglyceric acidME314943-C00197-184.985118
Ribose 5 phosphateRibose 5-phosphateME314944-C00117-229.011333
SucroseSucroseME314945-C00089-341.10839
Sulfolactic Acid3-Sulfolactic acidME314946-C11537-168.980687
TaurineTaurineME314947-C00245-124.006841
ThymidineThymidineME314948-C00214-241.082448
ThymineThymineME314949-C00178-125.035103
TrehaloseTrehaloseME314950-C01083-341.10839
UDP-glucosamineUDP-N-acetylglucosamineME314951-C00043-606.073753
UDP-glucoseUDP-glucoseME314952-C00029-565.047204
UridineUridineME314953-C00299-243.061713


Analysis: HILIC POSITIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID
PubChem
Compound_ID
Kegg Id Retention
time/index
m/z ratio
AdenineAdenineME314954-C00147-136.06232
AdenosineAdenosineME314955-C00212-268.10458
BetaineBetaineME314956-C00719-118.086804
CytidineCytidineME314957-C00475-244.093347
CytosineCytosineME314958-C00380-112.051087
DMSPS,S-Dimethyl-beta-propiothetinME314959-C04022-135.047977
GuanineGuanineME314960-C00242-152.057235
GuanosineGuanosineME314961-C00387-284.099495
HomarineHomarineME314962-NA-138.055503


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