RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0140352
RefMet name	Hydroxycaprylic acid
Sum Composition	FA 8:0;O	View other entries in RefMet with this sum composition
Exact mass	160.109945 (neutral)	Calculate m/z: (Choose adduct) [M+H]+ [M+H-H2O]+ [M.]+ [M+2H]2+ [M+3H]3+ [M+4H]4+ [M+K]+ [M+2K]2+ [M+2K-H]+ [M+Na]+ [M+2Na]2+ [M+2Na-H]+ [M+Li]+ [M+2Li]2+ [M+NH4]+ [M.CH3]+ [M+Ag]+ [M+H+CH3OH]+ [M+H+CH3CN]+ [M+H+2CH3CN]+ [M+Na+CH3CN]+ [M.NaFormate+H]+ [M.NH4Formate+H]+ [M.TMSi]+ [M.tBuDMSi]+ [M+H-Hexose]+ [M+H-EtnP]+ [M+H-SerP]+ [M-H]- [M-H-H2O]- [M-CH3]- [M-2H]2- [M-3H]3- [M-4H]4- [M+Cl]- [M+OAc]- [M+Na-2H]- [M+K-2H]- [M.Formate]- [M.NaFormate-H]- [M.NH4Formate-H]- [M.F]- [M-H-Ser]- [M.HF2]- M(neutral)    View other RefMet entries with this exact (neutral) mass:   +/- 0.05 amu   +/- 0.1 amu   +/- 0.2 amu   +/- 0.5 amu
Formula	C8H16O3	View other entries in RefMet with this formula
Chemical/Biochemical Classification
Super Class	Fatty Acyls
Main Class	Fatty acids
Sub Class	Hydroxy FA
Distribution of Hydroxycaprylic acid in NMDR studies
Species	Plot Species distribution
Sample source	Plot Sample source(tissue) distribution
Platform	Platform (MS/NMR) used for detection
Chromatography	Chromatography methods used for detection
Studies	NMDR Studies reporting Hydroxycaprylic acid
External Links
Structural annotation level
Annotation level	3   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)

Abbrev	# of Studies	Refmet name(exact structures)	Systematic name
FA 8:0;O	107	3-Hydroxyoctanoic acid	3-hydroxy-octanoic acid
FA 8:0;O	74	2-Hydroxyoctanoic acid	2-hydroxy-octanoic acid
FA 8:0;O	37	8-Hydroxyoctanoic acid	8-hydroxy-octanoic acid
FA 8:0;O	11	7-Hydroxyoctanoic acid	7-hydroxy-octanoic acid
FA 8:0;O	9	3-Hydroxyvalproic acid	3-hydroxy-2-propylpentanoic acid
FA 8:0;O	1	2R-Hydroxycaprylic acid	2R-hydroxy-octanoic acid
FA 8:0;O		3S-Hydroxyoctanoic acid	3S-hydroxyoctanoic acid