Table 4.
No | Tentative assignment | R T (min) | Molecular weight | Precursor type | Precursor m/z | Molecular formula | MS/MS fragment ions | References |
---|---|---|---|---|---|---|---|---|
1 | Neochlorogenic acid | 2.2 | 354.09 | [M − H]− | 353 | C16 H18 O9 | 191, 179 | Massbank: PM013904 |
2 | Caffeic acid | 3.46 | 180.04 | [M − H]− | 179.0341 | C9 H8 O4 | 135, 179, 134 | Massbank: FiehnHILIC001102 |
3 | Syringic acid | 5.48 | 198.052 | [M − H]− | 197.045 | C9 H10 O5 | 182, 166, 197 | Massbank: FiehnHILIC001522 |
4 | Ellagic acid | 6.47 | 302.006 | [M − H]− | 300.999 | C14 H6 O8 | 303, 300 | Massbank: FiehnHILIC001170 |
5 | Quercetin-3β-D-glucoside | 6.89 | 464.09 | [M − H]− | 463.0879 | C21 H20 O12 | 300, 301, 271 | Pubchem (CID5280804) |
6 | Astragalin | 8.53 | 448.1 | [M − H]− | 447.094 | C21 H20 O11 | 447, 285, 284 | Massbank: CCMSLIB00000845312 |
7 | Afzelin | 9.34 | 432.1 | [M + FA − H]− | 477.104 | C21 H20 O10 | 285, 431, 284 | Massbank: CCMSLIB00000845703 |
8 | Quercetin | 11.25 | 302.04 | [M − H]− | 301.0359 | C15 H10 O7 | 107, 121, 151, 178, 301 | Massbank: FiehnHILIC002955 |
9 | Corchorifatty acid F | 15.06 | 328.224 | [M − H]− | 346.081 | C18 H32 O5 | 235, 311, 219 | Pubchem (CID44559173) |
10 | 2-Undecanone 2,4-dinitrophenylhydrazone | 15.08 | 350.4 | [M + H]+ | 351.4 | C17 H26 N4 O4 | 351, 352 | Pubchem (CID 5717665) |
11 | Demexiptiline | 27.16 | 278.3 | [M + H]+ | 279.3 | C18 H18 N2 O | 204, 203, 149 | Massbank: WA002119 |