Journal of Analytical Methods in Chemistry

Research Article

Screening and Identification of Antipyretic Components in the Postfrost Leaves of Morus alba Based on Multivariable and Continuous-Index Spectrum-Effect Correlation

Table 3

Compounds identified from LMA fingerprint.


No.	RT (min)	+TOF-MS (ion) (m/z)	Diff (ppm)	−TOF-MS (ion) (m/z)	Diff (ppm)	+MSⁿ (m/z)	−MSⁿ (m/z)	M.W.	Formula	Identification	Ref.

1	6.448	429.0251 (M + Na)⁺	−6.64	405.0249 (M−H)⁻	0.75	407.1	405.0 ⟶ 190.9 ⟶ 111.1	406	C₂₁H₁₀O₉	Citric acid derivative^b	[8]
2	9.425	330.0609 (M + H)⁺	−0.22	328.0446 (M−H)⁻	5.09	330.1 ⟶ 136.1	328 ⟶ 133.9	329	C₁₆H₁₁NO₇	Alkaloid
3	12.159	346.0545 (M + H)⁺	3.60	344.0407 (M−H)⁻	1.42	346.1 ⟶ 152.1 ⟶ 109.1	343.9 ⟶ 149.9	345	C₁₆H₁₁NO₈	Alkaloid
4	20.457	339.0680 (M + Na)⁺	2.07	315.0706 (M−H)⁻	4.92	339.2⟶185.0	315.0 ⟶ 152.9 ⟶ 109.0	316	C₁₃H₁₆O₉	Dihydroxybenzoic acid hexoside^b	[9]
6	26.642	538.1246 (M + H)⁺	5.05	536.1115 (M−H)⁻	2.55	538.3 ⟶ 334.1 ⟶ 231.1 ⟶ 185.0	536.1 ⟶ 518.1 ⟶ 272.3	537	C₃₄H₁₇NO₆	Alkaloid
8	28.44	339.0689 (M + Na)⁺	−0.78	315.0721 (M−H)⁻	0.18	339.1 ⟶ 254.7 ⟶ 109.2	315.0 ⟶ 152.0 ⟶ 109.0	316	C₁₃H₁₆O₉	Dihydroxybenzoic acid hexoside^b	[9]
11	36.743	539.1375 (M + Na)⁺	−0.72	515.1404 (M−H)⁻	0.44		515.2 ⟶ 178.8 (352.9) ⟶ 135.0	516	C₂₂H₂₈O₁₄	Chlorogenic glycoside^b	[10]
12	40.471	355.1039 (M + H)⁺	−4.35	353.0871 (M−H)⁻	1.99	355.1 ⟶ 163.1 ⟶ 145.1 ⟶ 117.3	353.0 ⟶ 190.9 ⟶ 172.9	354	C₁₆H₁₈O₉	Neochlorogenic acid^ab	[11]
14	45.428	205.0966 (M + H)⁺	2.71	203.0813 (M−H)⁻	6.38	205.1 ⟶ 188.1	203.0 ⟶ 159.0 ⟶ 129.9	204	C₁₁H₁₂N₂O₂	Tryptophan^ab	[12]
16	55.956	355.1005 (M + H)⁺	5.25	353.0883 (M−H)⁻	−1.40	355.2 ⟶ 163.1 ⟶ 145.1	353.0 ⟶ 190.9 ⟶ 85.2	354	C₁₆H₁₈O₉	Chlorogenic acid^b	[13]
18	61.352	355.1031 (M + H)⁺	−2.09	353.0887 (M−H)⁻	−2.53	355.1 ⟶ 163.1 ⟶ 145.1	353.0 ⟶ 172.9 (191.0) ⟶ 93.1	354	C₁₆H₁₈O₉	4-caffeolyquinic acid^b	[13]
19	63.725	573.2507 (M + Na)⁺	1.93	595.2632 (M + HCOO)⁻	−4.46	573.4 ⟶ 393.3 ⟶ 362.7	595.3⟶549.3⟶478.9 ⟶ 253.0	550	C₂₅H₄₂O₁₃	Tricalysionoside A^b	[14]
20	66.36	409.1824 (M + Na)⁺	2.30	431.1907 (M + HCOO)⁻	4.07	409.3 ⟶ 391.2 ⟶ 299.0	431.1⟶178.9 ⟶ 89.2	386	C₁₉H₃₀O₈	Roseoside II or isomer^b	[15]
22	71.239	409.1831 (M + Na)⁺	0.49	431.1950 (M + HCOO)⁻	−7.07	409.3 ⟶ 391.1 ⟶ 334.8	431.1 ⟶ 385.1 ⟶ 153.0 ⟶ 138.0	386	C₁₉H₃₀O₈	Roseoside II or isomer^b	[15]
23	74.107	589.1529 (M + Na)⁺	−0.22	611.1642 (M + HCOO)⁻	−4.31	589.3 ⟶ 427.2 ⟶ 131.2	611.2 ⟶ 565.1⟶ 403.0 ⟶ 240.8	566	C₂₆H₃₀O₁₄	Mulberroside F^b	[16]
24	76.398	411.1980 (M + Na)⁺	2.42	433.2091 (M + HCOO)⁻	−3.04	411.3 ⟶ 393.3 ⟶ 346.3	433.2 ⟶ 387.1 ⟶ 161.0	388	C₁₉H₃₂O₈	Roseoside II or isomer^b	[15]
25	77.723	633.1408 (M + Na)⁺	2.96	609.1483 (M-H)⁻	−3.59	633.3	609.2 ⟶ 447.0 ⟶ 285.0	610	C₂₇H₃₀O₁₆	Kaempferol-hexoside-hexoside^b	[11]
26	85.743	465.1052(M + H)⁺	−5.27	463.0866 (M-H)⁻	3.45	465.1	463.1 ⟶ 300.9 ⟶ 272.9	464	C₂₁H₂₀O₁₂	Quercetin hexoside^b	[17]
28	91.351	611.1641 (M + H)⁺	−5.64	609.1480 (M-H)⁻	−3.10		609.1 ⟶ 299.9 ⟶ 270.9 ⟶ 242.7	610	C₂₇H₃₀O₁₆	Rutin isomer^b	[11]
30	96.671	611.1615 (M + H)⁺	−1.37	609.1435 (M-H)⁻	4.28	633.3 (611.3) ⟶ 331.2 ⟶ 185.2	609.2 ⟶ 299.9 ⟶ 178.9 ⟶ 150.9	610	C₂₇H₃₀O₁₆	Rutin^ab	[11]
31	99.07	465.106 (M + H)⁺	−7.00	463.0891 (M-H)⁻	−1.94	465.1 ⟶ 303.1 ⟶ 229.1 ⟶ 201.0	463.1 ⟶ 300.9 ⟶ 150.9 ⟶ 107.1	464	C₂₁H₂₀O₁₂	Isoquercitrin^ab	[17]
32	104.09	473.1995 (M + Na)⁺	−0.37	449.2031 (M-H)⁻	−0.59	473.3 ⟶ 311.2 ⟶ 249.2	449.2 ⟶ 269.0 ⟶ 207.0 ⟶ 162.9	450	C₂₀H₃₄O₁₁	Unknown
33	114.084	449.1063 (M + H)⁺	3.43	447.0899 (M-H)⁻	7.50	449.1 ⟶ 287.1 ⟶ 258.1 ⟶ 229.3	447.1 ⟶ 284.0 ⟶ 254.9 ⟶ 188.9	448	C₂₁H₂₀O₁₁	Astragalin^ab	[11]

^aThe compound was identified by comparison with standard. ^bThe compound was identified by comparison with references.