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. 2023 Aug 14;28(16):6048. doi: 10.3390/molecules28166048

Table 1.

Characterization of chemical constituents of celery seed extract.

NO Rt
(min)		 Identification MS+ (m/z) ppm Element Composition MS2 Fragment Ion (m/z) References
1 1.89 Adenosine 268.1042 0.6 C10H13N5O4 136.0620; 119.0350 *
2 2.50 Fructose-phenylalanine 328.1390 −0.2 C15H21NO7 310.1326; 292.1213; 254.1228; 246.1097; 166.0861; 132.0792 [18]
3 2.99 Pantothenic acid 220.1176 −1.6 C9H17NO5 220.1164; 202.1063; 184.0972; 128.0257; 90.0550 *
4 4.38 Tryptophan 205.0972 −0.8 C11H12N2O2 188.0696; 146.0593; 118.0645; 115.0539 [19] *
5 8.35 Chlorogenic acid 355.1020 −1.0 C16H18O9 NA [20] *
6 10.62 p-Hydroxybenzaldehyde 123.0441 0.4 C7H6O2 123.0465; 95.0482; 77.0383 [21] *
7 11.54 Coumaroylquinic acid 339.1075 0.2 C16H18O8 147.0436; 119.0481; 91.0532 [20]
8 13.54 Coumaroylquinic acid or isomer 339.1076 0.5 C16H18O8 147.0440; 119.0489; 91.0541 [20]
9 17.11 Luteolin 7-O-apiosylglucoside 581.1502 0.2 C26H28O15 287.0554 [20]
10 17.38 Luteolin 7-O-glucoside 449.1075 −0.8 C21H20O11 287.0543 [20] *
11 18.91 Senkyunolide J 227.1274 −1.7 C12H18O4 209.1164; 191.1134; 153.0542 [19,22]
12 19.20 Apiin 565.1553 0.2 C26H28O14 271.0609 [20] *
13 19.65 Chrysoeriol 7-O-apiosylglucoside 595.1652 −0.9 C27H30O15 463.1226; 301.0701; 286.0463; 258.0526 [20]
14 19.85 Luteolin 7-O-malonyl-apiosylglucoside 667.1488 −2.5 C29H30O18 535.1115; 287.0558; [20]
15 20.22 Luteolin 7-O-6′-malonyl glucoside 535.1082 −0.1 C24H22O14 535.1062; 449.1039; 287.0529 [20]
16 20.32 Chrysoeriol 7-O-glucoside 463.1234 −0.2 C22H22O11 301.0694; 286.0507 [20]
17 20.85 Malonylapiin A 651.1539 −2.6 C29H30O17 NA [20]
18 21.15 Malonylapiin B 651.1547 −1.3 C29H30O17 519.1109; 271.0594 [20]
19 21.91 6″-Malonylapiin 651.1549 −1.0 C29H30O17 519.1121; 271.0556 [20]
20 22.22 Chrysoeriol 7-O-6″-malonyl apiosylglucoside 681.1661 −0.1 C30H32O18 549.1281; 301.0717; 286.0474 [20]
21 25.19 Luteolin 287.0552 0.6 C15H10O6 NA [23] *
22 26.91 Sedanolide 195.1380 0.2 C12H18O2 177.1276; 149.1323; 125.0617; 111.0436; 97.0645; 79.0542 [23,24] *
23 27.22 Isomer of procyanidin B1 579.1487 −1.7 C30H26O12 427.0852; 409.0739; 291.0699; 247.0802; 205.0693 [25]
24 27.50 Apigenin 271.0605 1.5 C15H10O5 271.0584; 163.0352; 153.0182; 119.0480 [26] *
25 27.75 Chrysoeriol 301.0707 −0.9 C16H12O6 301.0710; 286.0476; 258.0500; 229.0465 [20,26]
26 27.82 Dihydroxy-3-butylphthalide 223.0969 1.9 C12H14O4 177.0905; 167.0327; 149.0218; 121.0271 [27]
27 28.22 Lunularic acid 257.0841 8.4 C15H14O4 213.0919; 171.0809; 107.0497; 106.0415 *
28 28.53 3-Butylphthalide 191.1067 0.2 C12H14O2 129.0684; 117.0703; 91.0526; 77.0383 [21,28]
29 28.92 Senkyunolide F 207.1016 0.1 C12H14O3 189.0882; 161.0959; 151.0386; 146.0726; 105.0328; 77.0381 [11,19]
30 29.56 Cinnamaldehyde 133.0648 0.1 C9H8O 133.0644; 105.0700; 79.0536; 77.0739 *
31 30.19 Sedenenolide 193.1222 −0.6 C12H16O2 175.1126; 147.1175; 137.0603; 105.0696; 91.0540; 77.0383 [29]
32 31.91 Linolenic acid 279.2317 −0.6 C18H30O2 131.0828; 95.0853; 67.0531 *

Notes: * Compound with standard reference. NA refers to the abbreviation of “Not Available” and indicates that no MS2 fragment ion was produced for this compound.