Name of metabolite	Theoretical [M-H]-	MRMS Measured [M-H]-	HRMS Measured [M-H]-	Δm (mDa)
pyruvic acid	87.0077	87	NA	NA
alaninea	88.0393	88.01	88.0374	-0.19
lactic acida	89.0233	89.01	89.0296	0.63
phosphoric acid	96.9685	96.96	96.9625	-0.6
2-ketobutyric acid	101.0233	101.02	101.0191	-0.42
γ-aminobutyric acida	102.055	102.04	102.0528	-0.22
serine	104.0342	104.02	104.0228	-1.14
maleic/fumaric acida	115.0026	115.03	115	-0.26
succinic acida	117.0182	117.01	117.0125	-0.57
threonine	118.0499	118.04	118.0456	-0.43
oxalacetic acid	130.9975	131.03	130.991	-0.65
aspartic acida	132.0291	132.03	132.0256	-0.35
malic acida	133.0132	133.02	133.0221	0.89
salicyclic acid	137.0233	137.02	137.0349	1.16
α-ketoglutaric acid	145.0132	145.02	145.0063	-0.69
glutamic acida	146.0448	146.01	146.0408	-0.4
pentose	149.0445	149.04	149.0414	-0.31
aconitic acida	173.0081	173.03	173.0057	-0.24
ascorbic acida	175.0237	175.05	175.0341	1.04
hexose	179.055	179.05	179.0484	-0.66
citric/isocitric acida	191.0186	191.02	191.0166	-0.2
palmitic acid	255.2319	255.22	255.2246	-0.73
hexose-6-phosphatea	259.0213	259.04	259.014	-0.73
stearic acid	283.2632	283.26	283.2552	-0.8
sucrosea	341.1078	341.07	341.0972	-1.06