. 2014 Dec 17;19(12):21226–21238. doi: 10.3390/molecules191221226

Table 5.

MS data of the five compounds from H. sabdariffa by LC-Q-TOF-MS.

No.	RT (min)	[M+H]⁺	Main Fragments	Calculated m/z	Error		Formula	Identification
No.	RT (min)	[M+H]⁺	Main Fragments	Calculated m/z	mDa	ppm	Formula	Identification
1.	3.62	355.1023	163.0390	355.1024	0.10	0.21	C₁₆H₁₈O₉	Neochlorogenic acid
2.	5.44	355.1026	163.0391	355.1024	−0.65	−0.20	C₁₆H₁₈O₉	Chlorogenic acid
3.	5.96	355.1032	163.0395	355.1024	−0.20	−0.48	C₁₆H₁₈O₉	Cryptochlorogenic acid
4.	12.42	611.1612	465.1025	611.1607	−0.60	−0.91	C₂₇H₃₀O₁₆	Rutin
5.	12.95	465.1029	303.0500	465.1028	−0.10	−0.31	C₂₁H₂₀O₁₂	Isoquercitrin