Table 6.

Metabolite candidates for obtained m/z peaks.

Metabolite name	Molecular formula	Mass (m/z)		Adduct delta
		Detected	Accurate
No data	–	35.00	–	–
No data	–	61.90	–	–
Hydrazine*	H4N2	66.90	67.007 [M+Cl]1-	0.107
Pyrazole*	C3H4N2		67.030 [M-H]1-	0.130
Methanol*	C4H0		66.996 [M+Cl]1-	0.096
Imidazole*	C3H4N2		67.030 [M-H]1-	0.130
3-Butyn-2-ol*	C4H6O	68.90	69.035 [M-H]1-	0.135
Propynoic acid*	C3H2O2		68.998 [M-H]1-	0.098
Beta-aminopropionitrile*	C3H6N2		69.046 [M-H]1-	0.146
2-Butyn-1-ol*	C4H6O		69.035 [M-H]1-	0.135
3-Butyn-1-ol*	C4H6O		69.035 [M-H]1-	0.135
Formic acid*	CH2O2	80.81	80.975 [M+Cl]1-	0.165
Sulfurous acid*	H2O3S		80.965 [M+Cl]1-	0.155
Methyl hydroperoxide*	CH4O2	82.81	82.991 [M+Cl]1-	0.181
Methanethiol*	CH4S		82.973 [M+Cl]1-	0.163
Chloric acid**	HClO3		82.954 [M+Cl]1-	0.144
No data	–	107.90	–	–
Arsenous acid*	H3AsO3	124.90	124.923 [M-H]1-	0.023
Formic acid*	CH2O2		124.924 [M+Br]1-	0.024
No data	–	209.90	–	–
Indole, 3-(2-aminoethyl)-7-	C11H15ClN2O	225.81	225.080 [M-H]1-	−0.001
methoxy, hydrochloride*
2,2,4-trimethyl-1,3-pentanediol*	C8H18O2		225.050 [M+Br]1-	−0.031

Data origin:

^*https://dimedb.ibers.aber.ac.uk/;

^**Individual accurate mass assessment.