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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
SerineSerineME3570875951--106.0504
Glyceric acidGlyceric acidME357068752--107.0344
ProlineProlineME357085145742--116.0711
Succinic acidSuccinic acidME3570881110--119.03443
ThreonineThreonineME3570896288--120.066
IsoleucineIsoleucineME3570736306--132.1024
LeucineLeucineME3570756106--132.1024
AsparagineAsparagineME3570566267--133.0613
Aspartic acidAspartic acidME3570575960--134.0453
Malic acidMalic acidME357078525--135.0293
2-Benzoxazolinone2-BenzoxazololME3570486043--135.13203
Benzothiazole-ME3570587222--136.022
Anthranilic acid2-Aminobenzoic acidME357054227--138.0555
Alpha-Ketoglutaric acid2-Oxoglutaric acidME35705351--147.0293
GlutamineGlutamineME3570655961--147.0769
LysineLysineME3570775962--147.1133
Glutamic acidGlutamic acidME35706433032--148.0609
MethionineMethionineME357080876--150.0588
HistidineHistidineME3570706274--156.0773
p-coumaric acidcis-p-Coumaric acidME357090637542--165.0551
PhenylalaninePhenylalanineME3570846140--166.0868
Cis-Aconitic acidcis-Aconitic acidME357060643757--175.02426
ArginineArginineME3570556322--175.1195
GlucosamineGlucosamineME357063439213--180.08719
MyoinositolMyo-inositolME357081892--181.0712
Methionine SulfoneMethionine sulfoneME35707969961--182.0487
TyrosineTyrosineME3570936057--182.0817
3-Phosphoglyceric acid3-Phosphoglyceric acidME357049724--187.0007
Isocitric acidIsocitric acidME357072---193.0348
Ferulic Acidtrans-Ferulic acidME357061445858--195.0657
Indole Butyric acidIndolebutyric acidME3570718617--204.10245
TryptophanTryptophanME3570926305--205.0977
Zeatintrans-ZeatinME357091449093--220.1198
Zealexin A4-ME357094135398014--249.14907
Fructose-6-phosphateFructose 6-phosphateME35706269507--261.0375
Abscisic AcidAbscisic acidME3570505280896--265.14398
NaringeninNaringeninME357083932--273.0763
Linoleic AcidLinoleic acidME3570765280450--281.24805
12-oxo-11-phytodienoicacid-ME3570465280411--293.21167
13S-hydroxy-9Z,11E,15Z-octadecatrienoic acid13S-HOTrEME35704516061072--295.2273
13-oxo-9Z,11E-octadecadienoic acid13-Oxo-ODEME3570476446027--295.22732
iso-10-oxo-11-phytoenoic acid-ME35707416061074--295.22732
GlutathioneGlutathioneME357066124886--308.09163
Adenosine MonophosphateAMPME3570516083--348.0709
Chlorogenic AcidChlorogenic acidME3570591794427--355.10291
Nicotinamide adenine dinucleotideNADME3570825892--664.117
GlycineGlycineME357069750--76.0398
PyruvatePyruvic acidME357086107735--89.02387
AlanineAlanineME3570525950--90.0555
GlyceraldehydeGlyceraldehydeME357067751--91.0395


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
CatecholPyrocatecholME357095289--109.0289
ValineValineME357102---116.0711
Salicylic acidSalicylic acidME357100---137.0239
Mevalonic acidMevalonic acidME357098---147.0657
Shikimic acidShikimic acidME3571018742--173.045524
Citric acidCitric acidME357096311--191.01918
Ribose-5-PhosphateRibose 5-phosphateME357099---229.0113
ZealexinA4-ME357103135398014--247.1334
Cryptochlorogenic acid-ME357097---353.0872


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