Evidence-Based Complementary and Alternative Medicine / 2017 / Article / Tab 2

Research Article

Rapid Screening of Chemical Constituents in Rhizoma Anemarrhenae by UPLC-Q-TOF/MS Combined with Data Postprocessing Techniques

Table 2

Identification of the chemical constituents of Rhizoma Anemarrhenae extract by using UPLC-Q-TOF/MS in negative ion mode.

RTFormula [M-H]Experimental m/zppm Fragment ionsChemical nameChemical typesRef

12.72C25H28O16583.1299583.12990.00583 [M-H],
421 [M-H-C6H10O5],
331 [M-H-C6H10O5-C3H6O3],
301 [M-H-C6H10O5-C4H8O4],
NeomangiferinMangiferin-type flavonoids[5, 25]
23.27C19H18O11421.0771421.07592.85421 [M-H],
331 [M-H-C3H6O3],
301 [M-H-C4H8O4],
MangiferinMangiferin-type flavonoids[5, 25]
33.32C19H18O11421.0771421.07641.66421 [M-H],
331 [M-H-C3H6O3],
301 [M-H-C4H8O4],
IsomangiferinMangiferin-type flavonoids[5, 25]
44.48C13H10O5245.0450245.04541.63245 [M-H],
151 [M-H-C6H6O],
107 [M-H-C6H6O-CO2],
IriflophenoneBenzophenones[26]
54.74C45H76O20935.4852935.48233.10917 [M-H-H2O],
773 [M-H-C6H10O5],
289 [M-H-H2O-3C6H10O5-C8H14O2],
271 [M-H-2H2O-3C6H10O5-C8H14O2],
253 [M-H-3H2O-3C6H10O5-C8H14O2],
281 [M-H-3H2O-3C6H10O5-C6H10O2],
Timosaponin E1Furostanol glycosides[5, 27]
64.79C45H76O20935.4852935.48272.67935 [M-H],
773 [M-H-C6H10O5],
289 [M-H-H2O-3C6H10O5-C8H14O2],
271 [M-H-2H2O-3C6H10O5-C8H14O2],
253 [M-H-3H2O-3C6H10O5-C8H14O2],
Timosaponin EFurostanol glycosides[5, 27]
74.85C45H76O20935.4852935.48361.71935 [M-H],
773 [M-H-C6H10O5],
289 [M-H-H2O-3C6H10O5-C8H14O2],
Timosaponin NFurostanol glycosides[5, 27]
85.09C56H94O291229.58031229.58060.241211 [M-H-H2O],
289 [M-H-H2O-C5H8O4-4C6H10O5-C8H14O2],
271 [M-H-2H2O-C5H8O4-4C6H10O5-C8H14O2],
253 [M-H-3H2O-C5H8O4-4C6H10O5-C8H14O2],
281 [M-H-3H2O-C5H8O4-4C6H10O5-C6H10O2],
PurpureagitosideFurostanol glycosides[5, 27]
96.32C17H17NO3282.1130282.11320.71282 [M-H],
163 [M-H-C8H7O],
CoumaroyltyramineAmide alkaloids[28]
106.86C18H19NO4312.1236312.12370.32312 [M-H],
297 [M-H-CH3],
178 [M-H-CH3-C8H7O],
N-trans-feruloyltyrami-ne or N-cis-feruloyltyramineAmide alkaloids[28]
117.20C45H74O19917.4746917.47510.54755 [M-H-C6H10O5],
289 [M-H-3C6H10O5-C8H14O2],
271 [M-H-3C6H10O5-C8H14O2-H2O],
253 [M-H-3C6H10O5-C8H14O2-2H2O]
281 [M-H-3C6H10O5-C6H10O2-H2O],
Timosaponin DFurostanol glycosides[5, 27]
127.49C14H12O5259.0607259.06308.88259 [M-H],
165 [M-H-C6H6O],
121 [M-H-C6H6O-CO2],
2,6,4′-Trihydroxy-4-methoxyBenzophenoneBenzophenones[26]
138.12C56H92O281211.56971211.56424.541211 [M-H],
1193 [M-H-H2O,
271 [M-H-H2O-C5H8O4-4C6H10O5-C8H14O2],
253 [M-H-2H2O-C5H8O4-4C6H10O5-C8H14O2],
Timosaponin H1Furostanol glycosides[5, 27]
148.26C56H94O281213.58541213.58034.201213 [M-H],
273 [M-H-H2O-C5H8O4-4C6H10O5-C8H14O2,
255 [M-H-2H2O-C5H8O4-4C6H10O5-C8H14O2]
Timosaponin I1/D1Furostanol glycosides[5, 27]
158.48C45H76O19919.4903919.48822.28919 [M-H],
901 [M-H-H2O],
301 [M-H-H2O-3C6H10O5-C6H10O2],
273 [M-H-H2O-3C6H10O5-C8H14O2],
255 [M-H-2H2O-3C6H10O5-C8H14O2],
Timosaponin B II or Timosaponin L or (25S)-Officinalisnin-IFurostanol glycosides[5, 27]
169.60C39H64O15771.4167771.41740.91771 [M-H],
609 [M-H-C6H10O5],
289 [M-H-2C6H10O5-C8H14O3],
271 [M-H-2C6H10O5-C8H14O3-H2O],
253 [M-H-2C6H10O5-C8H14O3-2H2O],
Timosaponin F (C39)Spirostanol glycosides[27]
1710.01C45H74O18901.4797901.47732.66901 [M-H],
739 [M-H-C6H10O5],
577 [M-H-2C6H10O5],
273 [M-H-3C6H10O5-C8H14O2],
255 [M-H-3C6H10O5-C8H14O2-H2O],
Xilingsaponin BSpirostanol glycosides[27]
1810.14C45H74O18901.4797901.47683.22739 [M-H-C6H10O5],
577 [M-H-2C6H10O5],
273 [M-H-3C6H10O5-C8H14O2],
255 [M-H-3C6H10O5-C8H14O2-H2O],
Timosaponin B IIIFurostanol glycosides[5, 27]
1910.23C45H74O18901.4797901.48071.11739 [M-H-C6H10O5],
577 [M-H-2C6H10O5],
273 [M-H-3C6H10O5-C8H14O2],
255 [M-H-3C6H10O5-C8H14O2-H2O],
Macrostemonoside F or Timosaponin CFurostanol glycosides[5, 27]
2010.28C51H84O231063.53251063.53522.541063 [M-H],
273 [M-H-4C6H10O5-C8H14O2],
255 [M-H-4C6H10O5-C8H14O2-H2O],
Timosaponin B IV (C51)Furostanol glycosides[5, 27]
2110.60C45H74O18901.4797901.48243.00739 [M-H-C6H10O5],
577 [M-H-2C6H10O5],
273 [M-H-3C6H10O5-C8H14O2],
255 [M-H-3C6H10O5-C8H14O2-H2O],
Macrostemonoside F or Timosaponin CFurostanol glycosides[5, 27]
2210.69C15H12O4255.0658255.06663.14255 [M-H],
135 [M-H-C7H4O2],
119 [M-H-C7H4O3],
2′,4′,4-TrihydroxychalconeChalcone-type flavonoids[29]
2310.73C17H16O3267.1021267.10365.62267 [M-H],
119 [M-H-C9H8O2],
107 [M-H-C10H8O2],
91 [M-H-C10H8O3],
Oxy- hinokiresinolCoumarins[5]
2411.00C16H14O5285.0763285.07774.91285 [M-H],
165 [M-H-C7H4O2],
119 [M-H-C8H6O4],
(2S)-7,4′-Dihydroxy-5-methoxyflavoneFlavanones[25]
2511.23C16H16O5287.0920287.09313.83287 [M-H],
269 [M-H-H2O],
259 [M-H-CO],
2′-O-MethylphloretinChalcone-type flavonoids[25]
2611.38C39H64O14755.4218755.42180.00755 [M-H],
593 [M-H-C6H10O5],
575 [M-H-H2O-C6H10O5],
431 [M-H-2C6H10O5],
271 [M-H-2C6H10O5-C8H14O2-H2O],
253 [M-H-2C6H10O5-C8H14O2-2H2O],
Timosaponin A II or Timosaponin G (C39) or Anemarrhena sapinin IIISpirostanol glycosides[5, 27]
2712.25C16H18O3257.1178257.11904.67257 [M-H],
107 [M-H-C9H10O2,
91 [M-H-C9H10O3],
Broussonin A or Broussonin BCoumarins[29]
2813.16C17H16O2251.1072251.10751.19251 [M-H],
107 [M-H-C10H8O],
91 [M-H-C10H8O2],
 HinokiresinolCoumarins[29]
2916.17C39H64O13739.4269739.42522.30739 [M-H],
577 [M-H-C6H10O5],
415 [M-H-2C6H10O5],
273 [M-H-2C6H10O5-C8H14O2],
255 [M-H-2C6H10O5-C8H14O2-H2O],
Timosaponin AIIISpirostanol glycosides[5, 27]
3016.25C39H64O13739.4269739.42801.49739 [M-H],
577 [M-H-C6H10O5],
415 [M-H-2C6H10O5]-,
273 [M-H-2C6H10O5-C8H14O2],
255 [M-H-2C6H10O5-C8H14O2-H2O],
Timosaponin AIVSpirostanol glycosides[5, 27]
3116.38C39H64O13739.4269739.42862.30739 [M-H],
577 [M-H-C6H10O5],
415 [M-H-2C6H10O5],
273 [M-H-2C6H10O5-C8H14O2],
255 [M-H-2C6H10O5-C8H14O2-H2O],
SmilageninosideSpirostanol glycosides[5, 27]
3216.73C18H18O2265.1229265.12352.26265 [M-H],
121 [M-H-C10H8O],
Monomethyl-cis-hinokiresinolCoumarins[29]

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