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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
2-dehydro-D-gluconate2-Dehydro-D-gluconic acidME5248083035456-6.8193.035
2-hydroxy-2-methylbutanedioateCitramalic acidME524809441696-13.1147.0291
2-keto-isovalerateKetoisovaleric acidME52481049-13.3115.0392
3-phosphoglycerate3-Phosphoglyceric acidME524811724-13.8184.9852
4-aminobutyrategamma-Aminobutyric acidME524812223130-5.3102.0551
4-pyridoxic acid4-Pyridoxic acidME5248136723-14.3182.0454
6-phospho-D-gluconate6-Phosphogluconic acidME52481491493-13.7275.0177
acetyl-CoAAcetyl-CoAME524815444493-16.1808.1203
aconitatetrans-Aconitic acidME524816643757-14.2173.0087
ADP-D-glucoseADP-glucoseME52481716500-13.6588.0754
alpha-ketoglutarate2-Oxoglutaric acidME52481851-13.5145.0135
AMPAMPME5248196083-12.1346.0561
CDPCDPME5248206132-13.7402.0112
CDP-ethanolamineCDP-EthanolamineME524821123727-6.8445.0536
citraconic acidCitraconic acidME524822643798-13.1129.0186
citrateCitric acidME524823311-14.2191.0194
CMPCMPME5248246131-9.1322.0449
CTPCTPME5248256176-15.1481.9779
dATPdATPME52482715993-15.5489.994
dCTPdCTPME52482865091-15.1465.9829
deoxycholateDeoxycholic acidME5248293035026-18448.3074
D-gluconateGluconic acidME52482610690-5.3195.0505
dTTPdTTPME52483064968-15.4480.9825
FADFADME524831643975-15.4784.1512
FGARFGARME52483216048611-7.9313.0447
FMNFMNME524833643976-14.8455.0979
folateFolic acidME524834135398658-14.3440.1329
fructose-1-6-bisphosphateFructose 1,6-bisphosphateME52483510267-14.1338.9891
fumarateFumaric acidME524836444972-13.6115.0028
GDPGDPME524837135398619-13.9442.0176
glucose-1-phosphateGlucose 1-phosphateME52483865533-8.3259.0227
glucose-6-phosphateGlucose 6-phosphateME5248395958-7.4259.0225
glutathioneGlutathioneME524840745-8306.077
glutathione disulfideOxidized glutathioneME52484165359-12.9611.1455
glutathione-S-sulfonate-ME524842444104-13.4386.0338
glycerol-3-phosphatesn-Glycero-3-phosphateME524843439162-7.7171.0058
GTPGTPME524844135398633-15.2521.9839
guanosineGuanosineME524845135398635-3.4282.0846
indole-3-carboxylateIndole-3-carboxylic acidME52484669867-13.8160.043
inosineInosineME524847135398641-3.4267.0738
isocitrateIsocitric acidME5248481198-15.3191.0194
kynurenineKynurenineME524849161166-3.4207.0771
lactateLactic acidME524850107689-7.489.02343
malateMalic acidME524851222656-13.1133.0135
N-acetyl-glucosamine-1/6-phosphate-ME5248527115-7.8300.0493
N-acetyl-glutamateN-Acetylglutamic acidME52485370914-13.4188.056
N-Acetyl-L-alanineN-AcetylalanineME52485476406-8.4130.0503
NAD+NADME5248565893-8.9662.1031
NADHNADHME524857439153-14.2664.1188
NADP+NADPME5248585886-14.1742.0698
N-carbamoyl-L-aspartateCarbamoylaspartateME52485593072-13175.0355
Octulose-8/1-P-ME52485990657269-8319.0439
octulose-bisphosphate-ME524860130470-14.2399.0103
pantothenatePantothenic acidME5248616613-11.4218.1032
pyroglutamatePyroglutamic acidME5248627405-7.4128.0344
pyruvatePyruvic acidME5248631060-8.787.00787
riboflavinRiboflavinME524864493570-12.3375.1313
ribose-phosphateRibose 5-phosphateME52486577982-8229.0118
sarcosineSarcosineME5248671088-2.988.03945
sedoheptulose-1/7-phosphate-ME52486892042786-8.3289.0334
sedoheptulose-bisphosphateSedoheptulose 1,7-bisphosphateME524869164735-14.2368.9997
S-methyl-5-thioadenosine5'-MethylthioadenosineME524866439176-11.5296.0825
succinateSuccinic acidME5248701110-12.9117.0185
UDPUDPME5248716031-13.9402.9954
UDP-D-glucoseUDP-glucoseME5248728629-13.3565.0485
UDP-D-glucuronateUDP-glucuronic acidME52487317473-15.2579.0279
UDP-N-acetyl-glucosamineUDP-N-acetylglucosamineME524874445675-13.4606.0753
UMPUMPME5248756030-10.4323.029
urateUric acidME5248761175-7167.0205
uridineUridineME5248776029-2.7243.0622
UTPUTPME5248786133-15.2482.9619


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
alanineAlanineME5248795950-14.388.03951
arginineArginineME5248806322-18.5173.1037
aspartateAspartic acidME5248815960-15.5132.0297
GlucoseGlucoseME5248835793-12.2179.056
glutamateGlutamic acidME52488433032-15.3146.0452
glutamineGlutamineME5248855961-15.0145.0609
glutathioneGlutathioneME524886124886-15.4306.0767
glycineGlycineME524887750-14.874.0238
histidineHistidineME5248886274-15.3154.0615
isoleucineIsoleucineME5248896306-10.3130.0866
leucineLeucineME5248906106-9.7130.0866
lysineLysineME5248915962-18.5145.0974
methionineMethionineME5248926137-11.0148.0432
phenylalaninePhenylalanineME5248936140-9.5164.0711
prolineProlineME524894145742-12.4114.0553
serineSerineME5248955951-15.3104.0349
threonineThreonineME5248966288-14.5118.0501
tryptophanTryptophanME5248976305-9.7203.082
tyrosineTyrosineME5248986057-12.2180.0661
valineValineME5248826287-11.9116.0708


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