. 2017 Dec 12;12(12):e0189198. doi: 10.1371/journal.pone.0189198

Table 1. MS and MS/MS spectroscopic data for the iridoid valepotriates and their degradation products.

	Compound	HPLC-MS	TLC-MS	${U V}_{λ_{n m}^{m a x}}$	MS Spectrum	Formula
Known compounds	V	+	+	256	445 [M+Na]⁺	C₂₂H₃₀O₈
	AV	+	+	256	503 [M+Na]⁺	C₂₄H₃₂O₁₀
	BAV	+	+	256	503 [M+Na]⁺	C₂₄H₃₂O₁₀
Alkaline hydrolysis	B₁	+	-	256	403 [M+Na]⁺	C₂₀H₂₈O₇
	B₂	+	-	256	361 [M+Na]⁺	C₁₇H₂₂O₇
	B₃	+	-	256	319 [M+Na]⁺	C₁₅H₂₀O₆
	B₄	+	-	256	277 [M+Na]⁺	C₁₅H₁₄O₆
	AB₁	+	-	256	461 [M+Na]⁺	C₂₂H₃₀O₉
	AB₂	+	-	256	361 [M+Na]⁺	C₁₇H₂₂O₇
	AB₃	+	-	256	319 [M+Na]⁺	C₁₅H₂₀O₆
	AB₄	+	-	256	277 [M+Na]⁺	C₁₂H₁₄O₆
	1-β B₁	+	-	256	461 [M+Na]⁺	C₂₂H₃₀O₉
	1-β B₂	+	-	256	419 [M+Na]⁺	C₂₀H₂₈O₈
	1-β B₃	+	-	256	283 [M+Na]⁺	C₁₄H₁₈O₄
Thermal degradations	H₁	+	-	254	535 [M+Na]⁺	C₂₅H₃₆O₁₁
	H₂	+	+	240	423 [M+H]⁺	C₂₂H₃₀O₈
	H₃	+	+	243	423 [M+H]⁺	C₂₂H₃₀O₈
	H₄	+	+	236	407 [M+H]⁺	C₂₂H₃₀O₇
	AH₁	+	+	254	535 [M+Na]⁺	C₂₅H₃₆O₁₁
	AH₂	+	+	240	423 [M+H]⁺	C₂₂H₃₀O₈
	AH₃	+	+	243	423 [M+H]⁺	C₂₂H₃₀O₈
	AH₄	+	+	236	407 [M+H]⁺	C₂₂H₃₀O₇
	AH₅	+	+	264	391 [M+H]⁺	C₂₁H₂₈O₇
	1-β H₁	+	-	254	535 [M+Na]⁺	C₂₅H₃₆O₁₁
	1-β H₂	+	+	245	313 [M+H]⁺	C₁₅H₂₀O₇
	1-β H₃	+	+	263	337 [M+H]⁺	C₁₇H₁₈O₇
	1-β H₄	+	+	241	232 [M+H]⁺	C₁₄H₁₄O₃

+ identified - undetected