Table - PMC

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. 2014 Mar 5;(85):51434. doi: 10.3791/51434

Name of metabolite	Theoretical [M+H]⁺	MRMS Measured [M+H]⁺	HRMS Measured [M+H]⁺	Δm (mDa)
γ-aminobutyric acid^a	104.0706	104.1	104.0706	0
choline^a,*	104.1070	104.1	104.1071	0.01
proline	116.0706	116.07	116.0706	0
valine	118.0863	118.09	118.0865	0.02
leucine^a	132.1019	132.1	132.1022	0.03
asparagine^a	133.0608	133.06	133.0602	-0.06
adenine^a	136.0618	136.07	NA	NA
proling betaine^a	144.1019	144.1	144.1024	0.05
glutamine^a	147.0764	147.09	147.0768	0.04
histidine^a	156.0768	156.06	156.0771	0.03
arginine^a	175.1190	175.13	175.1167	-0.23
sucrose+K	381.0794	381.05	381.0791	-0.03
heme^a,*	616.1768	616.15	NA	NA
NAD^a	664.1164	664.1	NA	NA
formononetin^a	269.0808	269.08	269.0803	0.05
chrysoseriol GlcA^a	477.1028	477.1	477.1008	0.2
formononetin MalGlc^a	517.1341	517.13	517.1337	0.04
aformosin MalGlc^a	547.1446	547.16	547.1427	0.19