The integration of MS-based metabolomics and multivariate data analysis allows for improved quality assessment of Zingiber officinale Roscoe Author Salem, Mohamed A. *, Ahmed Zayed & Department of Pharmacognosy, Faculty of Pharmacy, Menoufia University, Gamal Abd El Nasr St., Shibin Elkom, 32511, Menoufia, Egypt Author Zayed, Ahmed Author Alseekh, Saleh Author Fernie, Alisdair R. Author Giavalisco, Patrick text Phytochemistry 2021 112843 2021-10-31 190 112843 112843 http://dx.doi.org/10.1016/j.phytochem.2021.112843 journal article 10.1016/j.phytochem.2021.112843 1873-3700 8160399

Table 1 Optimized multiple reaction monitoring (MRM) transitions for analysis of [6] gingerol and [6]-shogaol in fresh ginger rhizome.

Compound	Scan	Q1 precursor	Q3 Product	Retention time	Declustering	Collision energy	Collision cell exit	Quantitation
	mode	ion (m/z)	ions (m/z)	(RT, min)	potential (DP) (V)	(CE) (eV)	potential (CXP) (V)	(m/z)
[6]-	positive	295.215	277.2	3.3	81	19	6	277.2
Gingerol		[M+H]+	177.1			63	16
			137.2			53	8
[6]-		277.286	137.2	4.4	96	7	8	137.2
Shogaol		[M+H]+	122.2			35	12
			94.1			15	10