mQACC_SRM_1950.xlsx

	A	B	C	D	E	F	G	H
1	Header	Metabolite ID -1	Metabolite ID-2	Metabolite Concentration	Uncertainty / Standard Deviation	Concentration Units	Instrument	Quantification Method
2	Field Selector	Common Name	SMILES

3		Lauric Acid	CCCCCCCCCCCC(=O)O	1.86	0.11	ug/g	GC-MS	Isotope Dilution
4		Palmitic Acid	CCCCCCCCCCCCCCCC(=O)O	594	19	ug/g	GC-MS	Isotope Dilution
5		Palmitoleic Acid	CCCCCC/C=C\CCCCCCCC(=O)O	53.5	6.4	ug/g	GC-MS	Isotope Dilution
6		Stearic Acid	CCCCCCCCCCCCCCCCCC(=O)O	179	12	ug/g	GC-MS	Isotope Dilution
7		α-Linolenic Acid	CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O	14.9	1	ug/g	GC-MS	Isotope Dilution
8		Oleic Acid	CCCCCCCC/C=C\CCCCCCCC(=O)O	447	43	ug/g	GC-MS	Isotope Dilution
9		Linoleic Acid	CCCCC/C=C\C/C=C\CCCCCCCC(=O)O	780	39	ug/g	GC-MS	Isotope Dilution
10		Behenic Acid	CCCCCCCCCCCCCCCCCCCCCC(=O)O	15.9	1.5	ug/g	GC-MS	Isotope Dilution
11		Alanine	C[C@@H](C(=O)O)N	26.2	2.2	mg/kg	LC-MS	Mixed quantification
12		Glycine	C(C(=O)O)N	18	1.2	mg/kg	LC-MS	Mixed quantification
13		Histidine	C1=C(NC=N1)C[C@@H](C(=O)O)N	11.04	0.55	mg/kg	LC-MS	Mixed quantification
14		Isoleucine	CC[C@H](C)[C@@H](C(=O)O)N	7.13	0.42	mg/kg	LC-MS	Mixed quantification
15		Leucine	CC(C)C[C@@H](C(=O)O)N	12.9	0.82	mg/kg	LC-MS	Mixed quantification
16		Lysine	C(CCN)C[C@@H](C(=O)O)N	20	1.9	mg/kg	LC-MS	Mixed quantification
17		Methionine	CSCC[C@@H](C(=O)O)N	3.26	0.26	mg/kg	LC-MS	Mixed quantification
18		Proline	C1C[C@H](NC1)C(=O)O	19.9	1.1	mg/kg	LC-MS	Mixed quantification
19		Serine	C([C@@H](C(=O)O)N)O	9.87	0.44	mg/kg	LC-MS	Mixed quantification
20		Threonine	C[C@H]([C@@H](C(=O)O)N)O	13.94	0.53	mg/kg	LC-MS	Mixed quantification
21		Tyrosine	C1=CC(=CC=C1C[C@@H](C(=O)O)N)O	10.17	0.53	mg/kg	LC-MS	Mixed quantification
22		Valine	CC(C)[C@@H](C(=O)O)N	20.9	1.2	mg/kg	LC-MS	Mixed quantification
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