metabolite_name	MCF0000858_SR01	MCF0000858_SR02	MCF0000858_SR03	MCF0000858_SR04	MCF0000858_SR05	MCF0000858_SR06	MCF0000858_SR07	MCF0000858_SR08	MCF0000858_SR09	MCF0000858_SR10	MCF0000858_SR11	MCF0000858_SR12	MCF0000858_SR13	MCF0000858_SR14	MCF0000858_SR15	MCF0000858_SR16	MCF0000858_SR17	MCF0000858_SR18	MCF0000858_SR19	MCF0000858_SR20	MCF0000858_SR21	MCF0000858_SR22	MCF0000858_SR23	MCF0000858_SR24	MCF000867_SR01	MCF000867_SR02	MCF000867_SR03	MCF000867_SR04	MCF000867_SR05	MCF000867_SR06	MCF000867_SR07	MCF000867_SR08	MCF000867_SR09	MCF000867_SR10	MCF000867_SR11	MCF000867_SR12	MCF000867_SR13	MCF000867_SR14	MCF000867_SR15	MCF000867_SR16	MCF000867_SR17	MCF000867_SR18	MCF000867_SR19	MCF000867_SR20	MCF000867_SR21	MCF000867_SR22	MCF000867_SR23	MCF000867_SR24	MCF000887_SR01	MCF000887_SR02	MCF000887_SR03	MCF000887_SR04	MCF000887_SR05	MCF000887_SR06	MCF000887_SR07	MCF000887_SR08	MCF000887_SR09	MCF000887_SR10	MCF000887_SR11	MCF000887_SR12	MCF000887_SR13	MCF000887_SR14	MCF000887_SR15	MCF000887_SR16	MCF000887_SR17	MCF000887_SR18	MCF000887_SR19	MCF000887_SR20	MCF000887_SR21	MCF000887_SR22	MCF000887_SR23	MCF000887_SR24	MCF000887_SR25	MCF000887_SR26	MCF000887_SR27	MCF000887_SR28	MCF000887_SR29	MCF000887_SR30	MCF000887_SR31	MCF000887_SR32
Sorbitol	6.20E+06	6.61E+06	1.52E+06	1.24E+06	1.87E+06	1.69E+06	4.35E+06	5.34E+06	1.12E+06	1.06E+06	1.42E+06	1.59E+06	5.38E+06	6.43E+06	1.47E+06	2.12E+06	1.79E+06	1.47E+06	2.65E+06	3.03E+06	2.05E+06	1.30E+06	1.96E+06	1.84E+06	7.30E+06	6.26E+06	7.74E+06	7.36E+06	1.88E+06	1.69E+06	2.00E+06	2.83E+06	5.72E+06	6.04E+06	7.08E+06	6.24E+06	2.28E+06	6.27E+06	2.16E+06	7.49E+06	6.98E+06	6.60E+06	7.21E+06	6.73E+06	3.25E+06	2.37E+06	2.78E+06	3.27E+06	1.12E+07	1.01E+07	1.12E+07	1.07E+07	2.12E+06	2.52E+06	2.51E+06	8.03E+06	9.22E+06	9.43E+06	1.28E+07	1.12E+07	2.12E+06	2.87E+06	2.22E+06	2.86E+06	1.02E+07	8.17E+06	9.08E+06	8.56E+06	1.91E+06	1.85E+06	4.25E+06	4.13E+06	8.11E+06	9.52E+06	1.11E+07	1.13E+07	1.97E+06	2.30E+06	2.56E+06	3.05E+06
CMP-sialic acid	4.47E+06	6.79E+06	7.11E+06	8.04E+06	1.08E+07	1.12E+07	8.28E+06	1.25E+07	1.25E+07	1.16E+07	1.62E+07	1.77E+07	5.86E+06	7.43E+06	5.86E+06	5.61E+06	9.42E+06	9.26E+06	7.15E+06	1.00E+07	6.83E+06	7.86E+06	1.09E+07	1.11E+07	4619724.28	5544198.58	8414899.53	11529223.49	3787443	3622040.96	7120839.87	7810364.68	8475719.63	8731786.6	13723911.76	13594607.82	13875730.68	12357849.2	17104895.19	20102595.26	5439974.33	5608650.69	9197733.82	6703395.13	10216174.44	11960217.6	19507225.28	18098294.68	2.19E+06	1.48E+06	4.86E+06	4.66E+06	2.60E+06	2.22E+06	5.97E+06	4.89E+06	3.09E+06	6.54E+05	3.24E+06	3.64E+06	1.96E+06	1.54E+06	4.88E+06	6.03E+06	4.85E+06	3.99E+06	1.02E+07	1.15E+07	7.70E+06	6.65E+06	1.33E+07	1.61E+07	1.84E+06	2.87E+06	2.79E+06	4.04E+06	9.64E+05	3.85E+06	3.87E+06	4.28E+06

metabolite_name	parent formula	M/Z	HMDB ID	isotopeLabel	isotope count
Sorbitol	C6H14O6	181.07164	HMDB00247	C12 PARENT	m0-6
CMP-sialic acid	C20H31N4O16P	613.140442	HMDB0000230	C12 PARENT	m0-20