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Analysis: Reversed phase NEGATIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
1-3-Bisphosphoglycerate3-Phospho-D-glyceroyl dihydrogen phosphateME586845-C00236--
1-4-beta-D-Xylan-ME586867-C02352--
2/3-Phospho-D-glycerate2-Phosphoglyceric acidME586846-C00631--
2-Hydroxyglutarate/Citramalate2-Hydroxyglutaric acidME586856-C02630--
3',5'-Cyclic IMP3',5' cyclic IMPME586835-C00943--
5-OxoprolinePyroglutamic acidME586861-C01879--
6-Phospho-D-gluconate6-Phosphogluconic acidME586857-C00345--
(7Z-10Z-13Z-16Z-19Z)-Docosa-7-10-13-16-19-pentaeno...DPAME586890-C16513--
(8Z-11Z-14Z)-Icosatrienoic acidDihomo-gamma-linolenic acidME586889-C03242--
AdenineAdenineME586822-C00147--
ADPADPME586821-C00008--
ADP-D-riboseADP-riboseME586838-C01882--
a-Linolenic acid (Octadecatrienoic acid)Octadecatrienoic acidME586885-C06427--
alpha-D-Glucosamine 1-phosphateGlucosamine 1-phosphateME586866-C06156--
alpha-D-Ribose 1-phosphateRibose 1-phosphateME586858-C00620--
Arachidonic acid (Eicosatetraenoic acid)Eicosatetraenoic acidME586886-C00219--
ATPATPME586820-C00002--
CarnosineCarnosineME586870-C00386--
CDPCDPME586824-C00112--
CitrateCitric acidME586853-C00158--
CMPCMPME586825-C00055--
D-ArabitolArabitolME586852-C01904--
Decanoic acid (caprate)Capric acidME586876-C01571--
DehydroascorbateL-Dehydroascorbic acidME586863-C05422--
D-Fructose 1-6-bisphosphateFructose 1,6-bisphosphateME586843-C00354--
D-GlucoseGlucoseME586841-C00031--
D-Glucose 6-phosphateGlucose 6-phosphateME586842-C02965--
D-Glyceraldehyde 3-phosphate/Glycerone phosphateGlyceraldehyde 3-phosphateME586844-C00118--
DiphosphatePyrophosphateME586840-C00013--
Docosahexaenoic acidDocosahexaenoic acidME586887-C06429--
Dodecanoic acid (lauric acid)Lauric acidME586877-C02679--
D-RiboseRiboseME586851-C00121--
Eicosapentaenoic acidEicosapentaenoic acidME586888-C06428--
Ethanolamine phosphatePhosphoethanolamineME586874-C00346--
GDPGDPME586823-C00035--
GlutathioneGlutathioneME586859-C00051--
Glutathione disulfideOxidized glutathioneME586860-C00127--
Glycerol 3-phosphatesn-Glycero-3-phosphateME586873-C00093--
glycineGlycineME586819-C00037--
GlycolateGlycolic acidME586869-C00160--
Hemine-ME586891-C06767--
Hexadecanoic acid (palmitic acid)Palmitic acidME586879-C00249--
Hexadecenoic acid (Palmitoleic acid)Palmitoleic acidME586882-C08362--
HypoxanthineHypoxanthineME586832-C00262--
IDPIDPME586829-C00104--
IMPIMPME586830-C00130--
InosineInosineME586831-C00294--
LactateLactic acidME586849-C01432--
Linoleic acid ((9Z,12Z)-Octadecadienoic acid)Linoleic acidME586884-C01595--
MalateMalic acidME586855-C00149--
MannitolMannitolME586850-C00392--
N-AcetylneuraminateN-Acetylneuraminic acidME586864-C00270--
N-Glycoloyl-neuraminateN-Glycoloylneuraminic acidME586865-C03410--
Nonanoic acid (pelargonate)Pelargonic acidME586875-C01601--
Octadecanoic acid (stearic acid)Stearic acidME586880-C01530--
Octadecenoic acid (Oleic acid)Oleic acidME586883-C00712--
PhosphatePhosphoric acidME586839-C00009--
PhosphocreatinePhosphocreatineME586871-C02305--
PhosphoenolpyruvatePhosphoenolpyruvic acidME586847-C00074--
PyridoxalPyridoxalME586836-C00250--
PyruvatePyruvic acidME586848-C00022--
quinolinic acidQuinolinic acidME586872-C03722--
(S)(+)-AllantoinAllantoinME586833-C02350--
S-Glutathionyl-L-cysteineS-Glutathionyl-cysteineME586862-C05526--
SuccinateSuccinic acidME586854-C00042--
Tetradecanoic acid (myristic acid)Myristic acidME586878-C06424--
Tetradecenoic acid (myristoleic acid)Myristoleic acidME586881-C08322--
ThymidineThymidineME586826-C00214--
UDPUDPME586827-C00015--
UDP-glucoseUDP-glucoseME586837-C00029--
UDP-N-acetyl-D-glucosamineUDP-N-acetylglucosamineME586868-C00043--
UMPUMPME586828-C00105--
UrateUric acidME586834-C00366--


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
2-Aminomuconate2-Aminomuconic acidME586925-C02220-158.046616
acetyl-carnitine (acyl-C2)CAR 2:0ME586934-C02571-204.121445
AcetylcholineAcetylcholineME586931-C01996-146.11647
acyl-C18:2 (Linoleoyl-CoA)Linoleoyl-CoAME586946-HMDB01064-424.338989
acyl-C20:4CAR 20:4ME586947-ac125-448.338226
acyl-C4-DCCAR DC4:0ME586938-HMDB13133-262.126617
acyl-C4-OHCAR 4:0;OHME586937-HMDB13127-248.147385
acyl-C5-OHCAR 5:0;OHME586939-ac107-262.162933
AllantoateAllantoic acidME586910-C00499-177.059631
AMPAMPME586907-C00020-348.069122
Anthranilate2-Aminobenzoic acidME586923-C00108-138.05397
BiliverdinBiliverdinME586948-C00500-583.244446
butanoyl-l-carnitine (acyl-C4)CAR 4:0ME586936-C02862-232.152481
CholineCholineME586932-C00114-104.106285
CMP-N-acetylneuraminateCMP-N-acetylneuraminic acidME586919-C00128-615.150818
CreatinineCreatinineME586920-C00791-114.06543
DopamineDopamineME586927-C03758-154.085083
D-RhamnoseRhamnoseME586913-C01684-165.074524
EctoineEctoineME586928-C06231-143.08046
gamma-Glutamyl-gamma-aminobutyrate4-(Glutamylamino) butanoateME586914-C15767-233.111694
GMPGMPME586908-C00144-364.062531
g-Oxalo-crotonate4-Oxalocrotonic acidME586924-C03453-159.026535
Hexadecenoyl-carnitine (acyl-C16:1)CAR 16:1ME586943-HMDB06317-398.3237
L-AdrenalineEpinephrineME586926-C00788-184.095062
L-alanineAlanineME586892-C00041-90.0543
L-arginineArginineME586893-C00062-175.1175
L-asparagineAsparagineME586894-C00152-133.0625
L-aspartateAspartic acidME586895-C00049-134.0438
L-CarnitineCarnitineME586933-C00318-162.111221
L-glutamateGlutamic acidME586896-C00025-148.0593
L-histidineHistidineME586897-C00135-156.0756
L-leucine/isoleucineLeucineME586898-C00123-132.1010
L-lysineLysineME586899-C00047-147.1117
L-methionineMethionineME586900-C00073-150.0572
L-Palmitoylcarnitine (acyl-C16)CAR 16:0ME586942-C02990-400.339081
L-phenylalaninePhenylalanineME586901-C00079-166.0850
L-serineSerineME586902-C00065-106.0492
L-threonineThreonineME586903-C00188-120.0647
L-tryptophanTryptophanME586904-C00078-205.0956
L-tyrosineTyrosineME586905-C00082-182.0797
L-valineValineME586906-C00183-118.0855
MaltotrioseMaltotrioseME586912-C01835-505.177246
Nicotinate ribonucleotideNicotinic acid mononucleotideME586911-C01185-337.059357
N-Methylethanolamine phosphateN-Methylethanolamine phosphateME586929-C01210-156.040924
Octadecanoyl-L-carnitine (acyl-C18)CAR 18:0ME586944-HMDB00848-428.370178
O-octadecenoyl-L-carnitine (acyl-C18:1)CAR 18:1ME586945-HMDB06351-426.354645
OrnithineOrnithineME586915-C01602-133.096176
O-tetradecanoyl-L-carnitine (acyl-C14)CAR 14:0ME586940-HMDB05066-372.308594
PantothenatePantothenic acidME586921-C00864-220.116226
propionyl-carnitine (acyl-C3)CAR 3:0ME586935-C03017-218.137039
PutrescinePutrescineME586916-C00134-89.106728
SpermidineSpermidineME586917-C00315-146.164078
SpermineSpermineME586918-C00750-203.22142
SphingosineSphingosineME586930-C00319-300.287384
TaurineTaurineME586922-C00245-126.021034
Tetradecenoyl Carnitine (acyl-C14:1)CAR 14:1ME586941-HMDB13329-370.292358
XanthineXanthineME586909-C00385-153.038193


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