Table 1 in Molecular differentiation of Panax notoginseng grown under different conditions by internal extractive electrospray ionization mass spectrometry and multivariate analysis

Table 1 Chemical components in Panax notoginseng samples assigned by high-resolution iEESI-MS n.
No.IdentityFormula[M H] (error, ppm)[M+Cl] (error, ppm)Fragment ionsRef1Fumaric acidC4H4O4115.0041 (3.6)/97, 87, 71Chen et al. (2018)2Malic acidC4H6O5133.0146 (2.6)/115, 87, 71Chen et al. (2018)3Succinic acidC4H6O4117.0197 (3.1)/99, 89, 73Chen et al. (2018)4DencichineC5H7O5N2175.0363 (1.5)/157, 113, 103Chen et al. (2018)5Citric acidC6H8O7191.0202 (2.5)/173, 129, 111Chen et al. (2018)6FructoseC6H12O6179.0566 (2.7)215.0330 (1.0)179, 161Chen et al. (2018)7Palmitoleic acidC16H30O2253.2179 (2.3)/235, 209, 193Kim et al. (2018)8Palmitic acidC16H32O2255.2338 (3.3)291.2096 (0.1)237, 211, 184Kim et al. (2018)9Sodium dodecyl sulfateC12H26O4S265.1476 (1.1)/247, 229, 191, 97/10Linoleic acidC18H32O2279.2339 (3.4)/265, 243, 235Chen et al. (2018)11Oleic acidC18H34O2281.2488 (0.7)/263, 245, 237Kim et al. (2018)12SucroseC12H22O11341.1092 (0.8)377.0857 (0.2)341, 215,179,161Zhu et al. (2021)13RaffinoseC18H32O16503.1624 (1.3)539.1388 (0.7)503, 341, 323, 179, 161Chen et al. (2018)14Rb1 aC54H92O23/589.2709 (0.2)/1143, 571, 553, 377/15Rh2C36H62O8621.4374 (0.3)/475Li et al. (2020)16Rh1C36H62O9637.4314 (1.1)673.4090 (0.3)475Zhang et al. (2012)172SucroseC12H22O11683.2262 (2.0)719.2023 (0.7)377, 341Zhu et al. (2021)18Rg2C42H72O13783.4891 (1.1)819.4667 (0.0)637, 619, 475Wu et al. (2015)19Rg1/RfC42H72O14799.4840 (1.2)835.4602 (1.7)799, 637, 475Chen et al. (2018)20Malonyl-Rg1/malonyl-RfC45H74O17885.4847 (0.7)921.4611 (1.0)841, 799, 781, 679, 619, 475Li et al. (2010)21NG-R1C47H80O18931.5271 (0.1)967.5034 (0.5)799, 637, 619, 475Chen et al. (2018)22RoC48H76O19955.4899 (0.9)/793, 631, 613, 455Sun et al. (2016)23Rd and ReC48H82O18945.5419 (1.0)981.5189 (0.6)799, 783, 765, 637, 621, 475, 459Sun et al. (2016)24NG-R3C48H82O19961.5393 (1.6)997.5142 (0.2)799, 637, 475Liu et al. (2015)25Malonyl-Rd and malonyl-C51H84O211031.5423 (0.9)1067.5214 (1.4)945, 927, 621, 603, 475, 459Li et al. (2010)Re263 SucroseC12H22O111025.3407 (0.6)1061.3182 (0.1)719, 377, 341Zhu et al. (2021)27RcC53H90O221077.5850 (0.1)1113.5623 (0.5)945, 783, 621, 459Li et al. (2010)28Rb1C54H92O231107.5950 (0.6)1143.5711 (1.1)945, 783, 621, 459Chen et al. (2018)29Malonyl-RcC56H92O251163.5854 (0.1)1199.5662 (3.4)1119, 1077, 1059, 945, 783Sun et al. (2016)30Malonyl-Rb1C57H94O261193.5948 (1.1)1229.5706 (1.7)1149, 1107, 1089, 945, 783, 621, 459Fuzzati et al. (1999)31Ra1C58H98O261209.6311 (3.1)1245.6072 (2.5)1077, 1047, 945, 915, 783, 621, 459Sun et al. (2016)32Ra3C59H100O271239.6371 (0.7)1275.6165 (1.5)1107, 945, 783, 621, 459Wu et al. (2015)33Malonyl-Ra1C61H100O291295.6332 (4.2)/1251, 1209, 1191, 1119, 1077, 1059, 945Sun et al. (2016)34Malonyl-Ra3C62H102O301325.6372 (0.8)/1281, 1239, 1221, 1149, 1107, 1089, 945, 621, 459Wu et al. (2015)354 SucroseC12H22O111367.4591 (1.1)/1061, 719Zhu et al. (2021)