Evidence-Based Complementary and Alternative Medicine

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]