Journal of Food Quality

Research Article

Identification of Secondary Metabolites in Flammulina velutipes by UPLC-Q-Exactive-Orbitrap MS

Table 1

Identification results of secondary metabolites in F. velutipes.
NumberRT ()FormulaAdductsMeasured values (m/z)Theoretical value (Da)Error (ppm)MS2Identification levelNameCompound class
18.41C28H32O14[M + H]+593.18524593.185140.17593 [M + H]+, 447 [M + H-rhamnosyl]+, 285 [M + H-rhamnosyl-glucosyl]+, 270 [M + H-rhamnosyl-glucosyl-CH3]+, 242 [M + H-rhamnosyl-glucosy-CH3-CO]+Level 1LinarinFlavonoids
28.509C15H10O6[M − H]−285.03983285.04053−2.44285 [M − H]−, 151 [M − H-C8H6O2]−, 133 [M − H-C7H4O4]−Level 2LuteolinFlavonoids
38.804C22H22O10[M + H]+447.12946447.12992−1.03447 [M + H]+, 285 [M + H-glucosyl]+, 270 [M + H-glucosyl-CH3]+, 242 [M + H-glucosyl-CH3- CO]+Level 2GlycitinFlavonoids
49.46C15H10O5[M − H]−269.04501269.04573−2.66269 [M − H]−, 151 [M − H-C8H6O]−, 117 [M − H-C7H4O4]−Level 1ApigeninFlavonoids
59.759C16H12O6[M + H]+301.07047301.07061−0.46301 [M + H]+, 286 [M + H-CH3]+, 258 [M + H-CH3-CO]+Level 2DiosmetinFlavonoids
69.764C16H12O6[M − H]−299.05548299.0562−2.41299 [M − H]−, 284 [M − H-CH3]−Level 1HispidulinFlavonoids
711.787C16 H12 O5[M − H]−283.06076283.06135−2.08283 [M − H]−, 268 [M − H-CH3]−Level 1AcacetinFlavonoids
85.14C10H8O4[M + H]+193.04933193.049270.29193 [M + H]+, 165 [M + H-CO]+, 137 [M + H-2CO]+Level 25,7-Dihydroxy-4-methylcoumarinPhenylpropanoids
96.712C25H24O12[M − H]−515.11823515.1195−2.47515 [M − H]−, 353, 335, 191 [quininic acid-H]−, 179, 173 [quininic acid-H-H2O]−, 155, 135Level 1Isochlorogenic acid BPhenylpropanoids
107.221C25H24O12[M − H]−515.11835515.11962−2.47515 [M − H]−, 353, 191 [quininic acid-H]−, 179, 173 [quininic acid-H-H2O]−, 135, 93Level 1Isochlorogenic acid CPhenylpropanoids
1114.001C24H34O4[M + H]+387.2532387.25326−0.15387 [M + H]+, 369 [M + H-H2O]+, 351 [M + H-2H2O]+, 341, 143, 131, 105, 91, 81Level 2BufalinSteroids
121.006C4H6O5[M − H]−133.01421133.01437−1.22133 [M − H]−, 115 [M − H-H2O]−, 71 [M − H-H2O–CO2]−Level 2DL-malic acidOrganic acids
131.086C5H8O5[M − H]−147.03015147.03022−0.48147 [M − H]−, 129 [M − H-H2O]−, 103 [M − H-CO2]−, 101, 87, 85, 57Level 2D-α-Hydroxyglutaric acidOrganic acids
141.093C6H5N O2[M − H]−122.02499122.02503−0.33122 [M − H]−, 94 [M − H-CO]−Level 1Picolinic acidOrganic acids
151.095C6H8O7[M − H]−191.01964191.01986−1.17191 [M − H]−, 129 [M − H-CO2–H2O]−, 111[M − H-CO2–2H2O]−, 87Level 1Citric acidOrganic acids
161.141C4H6O4[M − H]−117.01933117.019310.21117 [M − H]−, 99 [M − H-H2O]−, 73 [M − H-CO2]−Level 1Succinic acidOrganic acids
171.161C4H4O4[M − H]−115.00361115.00362−0.10115 [M − H]−, 71 [M − H-CO2]−Level 1Fumaric acidOrganic acids
184.225C7H12O4[M − H]−159.0661159.06625−0.95159 [M − H]−, 115 [M − H-CO2]−, 97 [M − H-CO2-H2O]−Level 23-Methyladipic acidOrganic acids
195.199C9H14O4[M − H]−185.08171185.0819−1.03185 [M − H]−, 141 [M − H-CO2]−, 123 [M − H-CO2-H2O]−Level 21-(Carboxymethyl)cyclohexanecarboxylic acidOrganic acids
207.109C9H16O4[M − H]−187.09744187.09764−1.05187 [M − H]−, 169 [M − H-H2O]−, 125 [M − H-H2O-CO2]−, 97 [M − H-H2O-CO2-CO]−Level 1Azelaic acidOrganic acids
218.302C10H18O4[M − H]−201.11302201.11329−1.35201 [M − H]−, 183 [M − H-H2O]−, 139 [M − H-H2O-CO2]−Level 23-tert-Butyladipic acidOrganic acids
2212.434C14H26O4[M − H]−257.17542257.17584−1.62257 [M − H]−, 239 [M − H-H2O]−, 195 [M − H-H2O-CO2]−Level 2Tetradecanedioic acidOrganic acids
2316.105C14H28O3[M − H]−243.1965243.19673−0.96243 [M − H]−, 197 [M − H-HCOOH]−Level 22-Hydroxymyristic acidOrganic acids
2418.147C16H32O3[M − H]−271.22733271.22782−1.80271 [M − H]−, 225 [M − H-HCOOH]−Level 216-Hydroxyhexadecanoic acidOrganic acids
2518.531C16H30O2[M + H]+255.23093255.2311−0.66255 [M + H]+, 237 [M + H-H2O]+, 219 [M + H-2H2O]+, 149, 135, 121, 97, 83, 81, 69Level 2Palmitoleic acidOrganic acids
2618.934C18H32O2[M − H]−279.23245279.23298−1.91279 [M − H]−, 261 [M − H-H2O]−, 59Level 2Linoleic acidOrganic acids