Table 2. List of Main Compounds (Most Intense Peaks in the Mass Spectra) Detected on the Surface of the Petals with LESA-HRMS with Prior Depolymerizationa.
| neutral formula | theoretical mass | DBE | MS/MS analysisb | tentative assignmentc | database |
|---|---|---|---|---|---|
| C5H10O3 | 118.0630 | 1 | hydroxyvaleric acid | PubChem | |
| C7H6O2 | 122.0368 | 5 | salicylaldehyde | PubChem | |
| C6H12O3 | 132.0786 | 1 | hydroxyhexanoic acid | PubChem | |
| C8H8O2 | 136.0524 | 5 | phenylacetic acid | PubChem | |
| C8H8O3 | 152.0473 | 5 | vanillin | PubChem | |
| C9H10O3 | 166.0630 | 5 | dihydro-coumaric acid | PubChem | |
| C7H6O5 | 170.0215 | 5 | gallic acid | PubChem | |
| C10H10O3 | 178.0630 | 6 | 162.03/145.03/133.03/118.04 | methoxycinnamic acid | PubChem |
| C8H8O5 | 184.0372 | 5 | 3,4-dihydroxymandelic acid | PubChem | |
| C10H16O3 | 184.1099 | 3 | pinonic acid | PubChem | |
| C10H18O3 | 186.1256 | 2 | oxodecanoic acid | PubChem | |
| C11H12O4 | 208.0736 | 6 | 192.04/179.03 | not found | |
| C15H16O2 | 228.1150 | 8 | bisphenol A | PubChem | |
| C14H28O2 | 228.2089 | 1 | myristic acid | PubChem | |
| C13H20O4 | 240.1362 | 4 | diethyl diallylmalonate | PubChem | |
| C15H30O2 | 242.2246 | 1 | pentadecanoic acid | PubChem | |
| C16H28O2 | 252.2089 | 3 | hexadecadienoic acid | PubChem | |
| C16H30O2 | 254.2246 | 2 | palmitoleic acid | PubChem | |
| C16H32O2 | 256.2402 | 1 | 237.22 | palmitic acid | PubChem |
| C17H30O2 | 266.2246 | 3 | heptadec-2-ynoic acid | PubChem | |
| C16H30O3 | 270.2195 | 2 | keto palmitic acid | PubChem | |
| C17H34O2 | 270.2559 | 1 | heptadecanoic acid | PubChem | |
| C18H30O2 | 278.2246 | 4 | 259.21/233.23/179.18 | linolenic acid | PubChem |
| C18H32O2 | 280.2402 | 3 | 261.22/234.23 | linoleic acid | PubChem |
| C18H34O2 | 282.2559 | 2 | oleic acid | PubChem | |
| C18H36O2 | 284.2715 | 1 | 265.25 | stearic acid | PubChem |
| C18H30O3 | 294.2195 | 4 | hydroxylinolenic acid | PubChem | |
| C19H36O2 | 296.2715 | 2 | methyl oleate | PubChem | |
| C20H34O2 | 306.2559 | 4 | eicosatrienoic acid | PubChem | |
| C20H38O2 | 310.2872 | 2 | eicosenoic acid | PubChem | |
| C20H40O2 | 312.3028 | 1 | arachidic acid | PubChem | |
| C20H40O3 | 328.2977 | 1 | glycol stearate | ChemSpider | |
| C22H38O3 | 350.2821 | 4 | furancarboxylic acid, heptadecyl ester | PubChem | |
| C22H38O4 | 366.2770 | 4 | dicyclohexyl sebacate | PubChem | |
| C17H16O10 | 380.0744 | 10 | trimethylenglykol-digalloat | PubChem | |
| C22H42O6 | 402.2981 | 2 | glyceryl lactylpalmitate | PubChem | |
| C29H50O8 | 526.3506 | 5 | steroid | PubChem | |
| C34H66O4 | 538.4961 | 2 | didodecyl sebacate | PubChem | |
| C30H54O8 | 542.3819 | 4 | sorbitan, trioctanoate | PubChem | |
| C34H64O7 | 584.4652 | 3 | sorbitan, ditetradecanoate | PubChem | |
| C36H70O9 | 646.5020 | 2 | 1-(O-α-d-glucopyranosyl)-3-keto-(1,27R,29R)-triacontanetriol | LipidMAPS | |
| C37H68O9 | 656.4863 | 4 | parisin | PubChem | |
| C37H68O10 | 672.4813 | 4 | MGDG(28:1)d | LipidMAPS | |
| C37H70O10 | 674.4969 | 3 | MGDG(28:0) | LipidMAPS | |
| C39H66O9 | 678.4707 | 7 | 1,3,5-tris(10-carboxydecyloxy)benzene | PubChem | |
| C39H68O9 | 680.4863 | triethoxycholesterol galactose | PubChem | ||
| C39H72O9 | 684.5176 | 4 | nonatriaconta-10,17,24-trien-3-one | PubChem | |
| C46H78O4 | 694.5900 | 8 | hexadecanoyloleanolic acid | PubChem | |
| C39H68O10 | 696.4813 | 6 | MGDG(30:3) | LipidMAPS | |
| C39H70O10 | 698.4969 | 5 | MGDG(30:2) | LipidMAPS | |
| C39H72O10 | 700.5126 | 4 | MGDG(30:1) | LipidMAPS | |
| C39H74O10 | 702.5282 | 3 | MGDG(30:0) | LipidMAPS | |
| C40H72O10 | 712.5126 | 5 | MGDG(31:2) | LipidMAPS | |
| C40H74O10 | 714.5282 | 4 | MGDG(31:1) | LipidMAPS | |
| C47H86O5 | 730.6475 | 5 | 1-docosanoyl-2-(10Z,13Z,16Z-docosatrienoyl)-sn-glycerol | LipidMAPS | |
| C48H92O10 | 828.6691 | 3 | MGDG(39:0) | LipidMAPS |
a
Compounds that were only detected with prior depolymerization are highlighted in bold.
b
Fragment ions detected in negative ionization with LESA-HRMS.
c
Please refer to Table S2 for the links.
d
MGDG(x:y) refers to the monogalactosyldiacylglycerol lipid class with x carbon atoms and y degree of unsaturation of the fatty acid chain.