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. 2022 Jul 13;27(14):4481. doi: 10.3390/molecules27144481

Table 1.

List of compounds revealed by LC-MS analysis of Moringa extract.

No. Retention Time (RT) (min) Formula Calculated Mass (Da) Theoretical Mass (Da) Mass Error (ppm) MSE Fragmentation Identification Ref.
1 1.6 C7H6O4 151.17 154.0266 3.2 153.0215[M − H], 135.0211[M-H-H2O], 89.0340[M-H-H2O-HCOOH] 3,4-Dihydroxy-benzoic acid [20]
2 1.8 C7H12O6 191.1683 192.0634 −1.10 191.0542[M − H], 173.0432[M-H-H2O], 145.0516[M-H-HCOOH], 137.0232[M-H-3H2O], 127.0401[M-H-H2O-HCOOH] Quinic acid [21]
3 3.1 C9H8O3 163.19 164.0474 0.3 165.0544[M + H]+, 147.0444[M + H-H2O]+, 119.0483[M + H-HCOOH]+ o-Coumaric acid [22]
4 6.6 C17H20O9 369.26 368.1107 −1.5 367.1029[M − H], 336.0902[M-H-OCH3 ], 295.1124[M-H-4H2O], 243.0591[M-H-CH3-C6H5O2], 189.0549[M-H-CH3-C9H7O3 ], 178.0346[M-H-C8H13O5] Methyl-3-caffeoylquinate [23]
5 7.7 C21H20O12 463.31 464.0955 −3.4 463.0866[M − H], 318.0758[M-H-2H2O-C6H5O2], 178.0513[M-H-C15H9O6], 159.0379[M-H-Glu-C6H4O3] Isoquercetin [24]
6 7.9 C21H20O12 464.0955 464.0949 −1.3 465.1022[M + H]+, 285.0485[M + H-Glu]+, 231.0678[M + H-Glu-3H2O]+, 149.0150[M + H-Glu-C7H4O3]+, 152.0154[M + H-Glu-C8H5O2]+ Hyperoside [25]
7 12.4 C10H12O2 164.0837 164.0831 −2.8 209.1118[M + HCOO], 122.0453[M-H-C3H5], 105.0495[M-H-OCH3-C2H3] Eugenol [24]
8 13.1 C16H18O9 356.38 354.0951 0.1 353.0878[M − H], 253.1035[M-H-3H2O-HCOOH], 190.0182[M-H-3H2O-C6H5O2], 144.0302[M-H-H2O-C7H11O6], 125.0251[M-H-H2O-HCOOH-C9H8O3] Chlorogenic acid [23]
9 15.1 C12H16O4 224.1038 224.1049 −4.8 223.0965[M − H], 205.1027[M-H-H2O], 135.0421[M-H-C4H8O2], 123.0964[M-H-C4H4O3], 87.0295[M-H-C8H8O2] 3-Butylidene-4,5,6,7 -tetrahydro-6,7-dihydroxy-1(3H)-isobenzofuranone [26]
10 15.3 C12H14O4 222.0883 222.0892 −3.9 221.0811[M − H], 160.0546[M-H-OC2H5], 119.0282[M-H-C3H5O2 -C2H5], Diethyl phthalate [23]
11 20.9 C18H30O2 278.2237 278.2246 −3.0 277.2165[M − H], 182.1234[M-H-C7H11], 168.1230[M-H-C8H13], 110.0795[M-H-C11H17-H2O] Linolenic acid [21]
12 23.7 C20H26O9 410.1573 410.1577 −1.0 409.1504[M − H], 336.0817[M-H-C4H9O], 251.1394[M-H-2H2O-C7H6O2], 202.0639[M-H-C3H7-C9H7O3], 134.0437[M-H-C12H19O7] 5-O-Caffeoylquinic acid butyl ester [20]
13 26.9 C18H34O2 282.2558 282.2559 −0.4 283.2631[M + H]+, 97.1020[M + H-C5H11-C6H11O2]+, 86.1024[M + H-C12H21O2]+, 72.0876[M + H-C13H23O2]+ Oleic acid [21]
14 39.2 C9H16O4 188.1045 188.1049 2.1 187.0965[M − H], 141.1105[M-H-HCOOH], 123.0957[M-H-H2O-HCOOH], 112.0644[M-H-H2O-C3H5O] Azelaic acid [20]