. 2020 Jun 18;11(3):469–484. doi: 10.1007/s13167-020-00211-4

Table 2.

Profiles of discriminative low-mass-ion candidates between G III and G IV

Status	Selected LMI (m/z*)	HMDB identifier	Candidate metabolite	Chemical formula	Class
G III > G IV	577.5154 577.5187 577.5221	HMDB0007300	Diacylglycerol	C₃₆H₆₄O₅	Fatty acyl
	578.5191 578.5225	HMDB0010399	Lysophosphatidylcholine	C₃₀H₆₀NO₇P	Lysophospholipid
	650.6416	HMDB0000831	N-Lignoceroylsphingosine	C₄₂H₈₃NO₃	Sphingolipid
	650.6416	HMDB0004956	Ceramide	C₄₂H₈₃NO₃	Sphingolipid
	651.6494	HMDB0000918	1-Oleoyl-cholesterol	C₄₅H₇₈O₂	Steroid derivative
	651.6494	HMDB0056112	Diacylglycerol	C₄₁H₇₈O₅	Glycerolipid
	684.1997	HMDB0059644	6β-Hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide	C₂₁H₃₁N₇O₁₅P₂	Purine nucleotide
	859.5273	HMDB0009850	Phosphatidylinositol	C₄₅H₇₉O₁₃P	Glyserophopholipid
	859.5273	HMDB0116547	Phosphatidylglycerophosphate	C₄₂H₈₄O₁₃P₂	Glyserophopholipid
	859.5355	HMDB0009893	Phosphatidylinositol	C₄₅H₇₉O₁₃P	Glyserophopholipid
		HMDB0116547	Phosphatidylglycerophosphate	C₄₂H₈₄O₁₃P₂	Glyserophopholipid
		HMDB0059616	All-trans-decaprenyl diphosphate	C₅₀H₈₄O₇P₂	Prenol lipid
G IV > G III	60.0458	HMDB0031645	Acetamide	C₂H₅NO	Carboximidic acid
		HMDB0001842	Guanidine	CH₅N₃	Organonitrogen
		HMDB0000906	Trimethylamine	C3H9N	Organonitrogen
	61.0303 61.0304	HMDB0000042	Acetic acid	C₂H₄O₂	Carboxylic acid
		HMDB0003344	Glycolaldehyde	C₂H₄O₂	Organooxygen
		HMDB0062508	N-Nitrosomethanamine	CH₄N₂O	Organonitrogen
		HMDB0000294	Urea	CH₄N₂O	Organic carbonic acid
		HMDB0000820	1-Propanol	C₃H₈O	Organooxygen
	73.9453	HMDB0034106	Methyl isothiocyanic acid	C2H3NS	Isothiocyanate
	107.0857	HMDB0006372	l-Glyceric acid	C₃H₈O₄	Organic oxygen
	123.0913	HMDB0041570	Isopropylpyrazine	C₇H₁₀N₂	Diazine
		HMDB0041571	Propylpyrazine	C₇H₁₀N₂	Diazine
		HMDB0059873	3-Ethylphenol	C₈H₁₀O	Organic oxygen
		HMDB0029306	4-Ethylphenol	C₈H₁₀O	Organic oxygen