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. 2024 Aug 29;12:e17914. doi: 10.7717/peerj.17914

Table 3. Major non polar metabolites annotated in M. zapota fruit methanol extract via HRUPLC/MS/MS in positive ion mode.

Peak No. Rt (min.) Mol. Ion (M+H) + Error (ppm) Molecular formula MS/MS fragments Identification Class
1 0.987 166.0862 +0.33 C9H11NO 121, 120, 103 Phenylalanine Amino acid
2 2.476 139.0755 −1.04 C8H10O2 124, 121, 120 Styrene glycol Alcohol
3 4.622 262.2371 +2.18 C14H31NO3 226, 122 Tetradecaphytosphingosine Sphingolipid
4 5.459 230.2474 +1.92 C14H31NO 213, 212, 109 Unknown Nitrogenous
5 5.631 290.2688 +0.59 C16H35NO3 272, 254,242 LCBs (16;0) Sphingolipid
6 5.645 272.2576 +2.97 C16H33NO2 254, 236, 224 Hexadecasphingosine Sphingolipid
7 5.73 288.2527 +2.16 C16H33NO3 227, 116, 102 Unknown amide Nitrogenous lipid
8 5.964 316.2836 +3.24 C18H37NO3 298,286, 281, 280, 262, 256, 141 Dehydrophytosphingosine Sphingolipid
9 6.388 302.3047 +2.18 C18H39NO2 284, 106, 102 Tetradecyldiethanolamine Nitrogenous lipid
10 6.41 318.2997 +1.8 C18H39NO3 300, 282, 264 Phytosphingosine Sphingolipid
11 6.624 300.2891 +2.02 C18H37NO2 282, 264 Sphingosine Sphingolipid
12 7.063 415.2108 +2.48 C20H33NO6P 354 Unknown PE Phospholipid
13 7.145 330.3361 +1.69 C20H43NO2 312,106,102 Hexadecyl diethanolamine Nitrogenous lipid
14 7.289 478.2936 −1.64 C23H45NO7P 337 LysoPE(0:0/18:2) Phospholipid
15 7.833 454.2918 +2.24 C21H44NO7P 313 LysoPE(0:0/16:0) Phospholipid
16 8.014 358.368 −0.12 C22H47NO2 340, 322, 270 Unknown Unknown
17 10.59 256.2632 +1.14 C16H33NO 239, 238,209, 116, 102 Palmitamide Fatty acyl amide
18 10.90 282.2785 +2.28 C18H35NO 247, 135, 121, 111, 102 Octadecenamide (Oleamide) Fatty acyl amide
19 10.94 331.2843 −0.04 C19H38O4 313, 109 Hexadecanoyl- glycerol Fatty acyl ester
20 11.10 512.503 +1.41 C32H65NO3 284 Tetradecanoyl-sphinganine Sphingolipid
21 11.90 284.2937 +3.85 C18 H37NO 200, 174,130, 116, 102 Octadecanamide (Steramide) Fatty acyl amide
22 12.02 310.3099 +1.75 C20H39NO 293,292, 275, 268, 247, 135,121,111,109 Eicosenamide Fatty acyl amide
23 12.25 359.3153 +0.8 C21H42O4 341, 267, 239,112, 109 Glyceryl Monostearate Fatty acyl ester
24 12.36 540.5345 +0.97 C34H69NO3 307,286,285,284 Palmitoylsphinganine Sphingolipid
25 12.40 568.566 +0.57 C36H73NO3 285, 284, 264 Heneicosanoyl-pentadecasphinganine Sphingolipid
26 13.08 312.3258 +0.94 C20H41NO 182, 116,112, 102 Icosanamide Fatty acyl amide
27 13.15 338.3414 +1.01 C22H43NO 339, 321,320,303. 265,247, 135, 121 Erucamide Fatty acyl amide
28 13.16 675.6761 +0.16 C44H86N2O2 338, 321, 303,121, 111,109 Erucamide dimer Fatty acyl amide
29 13.27 732.5612 +1.13 C40H77NO10 570, 552, 314, 262 Cerebroside(araliacerebroside) Sphingolipid
30 14.14 302.305 +1.18 C18H39NO2 285,284, 217 Octadecasphinganine Sphingolipid
31 14.34 429.3715 +2.82 C29H48O2 401, 371, 345, 205, 203, 187,165 Dehydrotocopherol Tocopherol

Notes.

LCBs, long-chain bases sphingolipid