. 2019 Feb 27;12:42. doi: 10.1186/s13068-019-1384-0

Table 2.

Negative molecular ions analysis of HiPMO1 reaction products hydrolyzed by beta-glucuronidase and beta-glucosidase

m/z	Molecular ions of potential products	m/z	Molecular ions of potential products
102	174 − 2H⁺+ CH₃OH/2	206	180 + 180 − 2H⁺+ 3H₂O/2
106	178 − 2H⁺+ 2H₂O/2	218	210 + 210 − 2H⁺+ H₂O/2
109	174 − 2H⁺+ HCOOH/2	224	176 − H⁺+ NH₃ + CH₃OH
113	210 − 2H⁺+ H₂O/2	227	210 − H⁺+ H₂O
121	176 − 2H⁺+ CH₃OH + 2H₂O/2	230	196 − H⁺+ NH₃ + H₂O
122	178 − 2H⁺+ CH₃OH + 2H₂O/2	233	174 − H⁺+ CH₃COOH
127	210 − 2H⁺+ HCOOH/2	236	174 − H⁺+ NH₃ + HCOOH
135	194 − 2H⁺+ HCOOH + CH₃OH/2	240	192 − H⁺+ NH₃ + CH₃OH
135	180 − 2H⁺+ 2HCOOH/2	240	178 − H⁺+ NH₃ + HCOOH
137	194 − 2H⁺+ HCOOH + 2H₂O/2	243	194 − H⁺+ CH₃OH + H₂O
137	180 − 2H⁺+ CH₃COOH + 2H₂O/2	243	180 − H⁺+ HCOOH + H₂O
139	174 − 2H⁺+ HCOOH + CH₃COOH/2	249	196 − H⁺+ 3H₂O
141	178 − 2H⁺+ HCOOH + CH₃COOH/2	252	176 − H⁺+ NH₃ + CH₃COOH
141	192 − 2H⁺+ 2HCOOH/2	259	192 − 2H⁺+ Na⁺+ HCOOH
151	176 − 2H⁺+ 2H₂O + CH₃OH + CH₃COOH/2	259	178 − 2H⁺+ Na⁺+ CH₃COOH
151	194 − 2H⁺+ H₂O + CH₃OH + CH₃COOH/2	261	194 − 2H⁺+ Na⁺+ HCOOH
155	174 − 2H⁺+ H₂O + 2CH₃COOH/2	261	180 − 2H⁺+ Na⁺+ CH₃COOH
155	192 − 2H⁺+ 2CH₃COOH/2	265	194 − H⁺+ 4H₂O
162	194 − 2H⁺+ 3H₂O + HCOOH + CH₃OH/2	269	210 − H⁺+ CH₃COOH
162	180 − 2H⁺+ 3H₂O + 2HCOOH/2	272	210 − H⁺+ NH₃ + HCOOH
168	210 − 2H⁺+ 2H₂O + CH₃OH + CH₃COOH/2	272	196 − H⁺+ NH₃ + CH₃COOH
168	196 − 2H⁺+ 2H₂O + HCOOH + CH₃COOH/2	277	196 − 2H⁺+ Na⁺+ CH₃COOH
171	194 − 2H⁺+ 4H₂O + CH₃OH + HCOOH/2	277	210 − 2H⁺+ Na⁺+ HCOOH
171	180 − 2H⁺+4H₂O + 2HCOOH/2	278	180 − H⁺+ NH₃ + 2H₂O + HCOOH
173	174 − H⁺	278	194 − H⁺+ NH₃ + 2H₂O + CH₃O
175	176 − H⁺	281	210 − H⁺+ 4H₂O
187	180 + 196 − 2H⁺/2	285	194 − H⁺+ CH₃OH + CH₃COOH
189	180 + 178 − 3H⁺+ Na⁺/2	285	180 − H⁺+ HCOOH + CH₃COOH
193	194 − H⁺	289	194 − H⁺+ 2H₂O + CH₃COOH
195	196 − H⁺	289	180 − H⁺+ H₂O + CH₃OH + CH₃COOH
196	180 − H⁺+ NH₃	291	196 − H⁺+ 2H₂O + CH₃COOH
197	180 − H⁺+ H₂O	291	210 − H⁺+ 2H₂O + HCOOH
200	210 + 192 − 2H⁺/2	292	180 − H⁺+ NH₃ + 2H₂O + CH₃COOH
204	196 + 196 − 2H⁺+ H₂O/2 180 + 194 − 2H⁺+ 2H₂O/2	292	194 − H⁺+ NH₃ + 2H₂O + HCOOH

The products were analyzed by Full Scan LC–MS in negative mode. Data are from Additional file 1: Figure S6. Because of the presence of NH₃, CH₃OH, HCOOH, and CH₃COOH in the sample solutions, the products formed adduct ions with them. Glucose (m/z 180−), glucuronic acid (m/z 194−), gluconic acid (m/z 196−), saccharic acid (m/z 210−), gluconic acid lactone (m/z 178−), saccharic acid lactone (m/z 192−), reduced Vc (m/z 176−), oxidized Vc (m/z 174−)