. 2023 Aug 18;49(9-10):570–598. doi: 10.1007/s10886-023-01443-0

Table 5.

Molecular formula of some tetrodotoxins, zetekitoxins and chiriquitoxins, and their [M + H]⁺ precursor ions in mass spectrometry. Data obtained from (Yotsu et al. 1990; Yotsu-Yamashita et al. 2004; Otero et al. 2013)

Alkaloid	Molecular formula	[M + H]⁺ (m/z)
TTX	C₁₁H₁₇N₃O₈	320.1088
4-epiTTX	C₁₁H₁₇N₃O₈	320.1088
6-epiTTX	C₁₁H₁₇N₃O₈	320.1088
Tetrodonic acid	C₁₁H₁₇N₃O₈	320.1088
11-oxoTTX	C₁₁H₁₇N₃O₉	336.1038
4,9-anhydroTTX	C₁₁H₁₅N₃O₇	302.0983
6-epi-4,9-anhydroTTX	C₁₁H₁₅N₃O₇	302.0983
11-deoxyTTX	C₁₁H₁₇N₃O₇	304.1139
5-deoxyTTX	C₁₁H₁₇N₃O₇	304.1139
11-norTTX-6(S)-ol	C₁₀H₁₅N₃O₇	290.0983
11-norTTX-6(R)-ol	C₁₀H₁₅N₃O₇	290.0983
5,6,11-trideoxyTTX	C₁₀H₁₃N₃O₆	272.0877
4-epi-5,6,11-trideoxyTTX	C₁₀H₁₃N₃O₆	272.0877
6,11-dideoxyTTX	C₁₀H₁₃N₃O₇	288.0826
4,9-anhydro-5,6,11-trideoxyTTX	C₁₀H₁₁N₃O₅	254.0771
Zetekitoxin AB	C₁₆H₂₄N₈O₁₂S	553.1313
Chiriquitoxin	C₁₃H₂₀N₄O₁₀	393.1252