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Table 2 Negative molecular ions analysis of HiPMO1 reaction products hydrolyzed by beta-glucuronidase and beta-glucosidase

From: Polysaccharide monooxygenase-catalyzed oxidation of cellulose to glucuronic acid-containing cello-oligosaccharides

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

180 − 2H+ + 2HCOOH/2

178 − H+ + NH3 + HCOOH

137

194 − 2H+ + HCOOH + 2H2O/2

243

194 − H+ + CH3OH + H2O

180 − 2H+ + CH3COOH + 2H2O/2

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

192 − 2H+ + 2HCOOH/2

259

192 − 2H+ + Na+ + HCOOH

151

176 − 2H+ + 2H2O + CH3OH + CH3COOH/2

178 − 2H+ + Na+ + CH3COOH

194 − 2H+ + H2O + CH3OH + CH3COOH/2

261

194 − 2H+ + Na+ + HCOOH

155

174 − 2H+ + H2O + 2CH3COOH/2

180 − 2H+ + Na+ + CH3COOH

192 − 2H+ + 2CH3COOH/2

265

194 − H+ + 4H2O

162

194 − 2H+ + 3H2O + HCOOH + CH3OH/2

269

210 − H+ + CH3COOH

180 − 2H+ + 3H2O + 2HCOOH/2

272

210 − H+ + NH3 + HCOOH

168

210 − 2H+ + 2H2O + CH3OH + CH3COOH/2

196 − H+ + NH3 + CH3COOH

196 − 2H+ + 2H2O + HCOOH + CH3COOH/2

277

196 − 2H+ + Na+ + CH3COOH

171

194 − 2H+ + 4H2O + CH3OH + HCOOH/2

210 − 2H+ + Na+ + HCOOH

180 − 2H++4H2O + 2HCOOH/2

278

180 − H+ + NH3 + 2H2O + HCOOH

173

174 − H+

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

180 − H+ + HCOOH + CH3COOH

193

194 − H+

289

194 − H+ + 2H2O + CH3COOH

195

196 − H+

180 − H+ + H2O + CH3OH + CH3COOH

196

180 − H+ + NH3

291

196 − H+ + 2H2O + CH3COOH

197

180 − H+ + H2O

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

194 − H+ + NH3 + 2H2O + HCOOH

  1. 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−)