|
| (ESI+) | Formula | Identification | Neutral loss (Da),
identification of fatty acid | Metabolic procedure | MS detection | References |
|
| 618 | C32H43NO11 | 1,16-Didemethyl AC (M1) | NAa | 16-O-Demethyl AC (C33H45NO11, 632) from AC; human; intestinal bacteria; anaerobic incubation, in vitro. | IT, FT-ICR |
[28] |
| 616 | C33H45NO10 | 16-O-Demethyl-3-deoxy AC (M2)b | NA |
| 602 | C32H43NO10 | 1,16-Didemethyl-3-deoxy AC (M3) | NA |
| 590 | C31H43NO10 | 16-O-Demethyl BAC (M4) | NA |
| 486 | C24H39NO9 | 16-O-Demethyl aconine (M5) | NA |
| 646 | C34H47NO11 | 16-O-Demethyl-8-O-propionyl BAC | 74, propionic acid |
| 660 | C35H49NO11 | 16-O-Demethyl-8-O-butyryl BAC | 88, butyric acid |
| 674 | C36H51NO11 | 16-O-Demethyl-8-O-valeryl BAC | 102, valeric acid |
| 16-O-Demethyl-8-O-(methyl)-butyryl BAC | 102, methyl butyric acid |
| 696 | C38H49NO11 | 16-O-Demethyl-8-O-heptatrienoyl BAC | 124, heptatrienoic acid |
| 698 | C38H51NO11 | 16-O-Demethyl-8-O-heptadienoyl BAC | 126, heptadienoic acid |
| 700 | C38H53NO11 | 16-O-Demethyl-8-O-heptenoyl BAC | 128, heptenoic acid |
| 702 | C38H55NO11 | 16-O-Demethyl-8-O-heptanoyl BAC | 130, heptanoic acid |
| 710 | C39H51NO11 | 16-O-Demethyl-8-O-octatrienoyl BAC | 138, octatrienoic acid |
| 716 | C39H57NO11 | 16-O-Demethyl-8-O-octanoyl BAC | 144, octanoic acid |
| 730 | C40H59NO11 | 16-O-Demethyl-8-O-nonanoyl BAC | 158, nonanoic acid |
| 736 | C41H53NO11 | 16-O-Demethyl-8-O-decatetraenoyl BAC | 164, decatetraenoic acid |
| 762 | C43H55NO11 | 16-O-Demethyl-8-O-dodecapentaenoyl BAC | 190, dodecapentaenoic acid |
| 764 | C43H57NO11 | 16-O-Demethyl-8-O-dodecatetraenoyl BAC | 192, dodecatetraenoic acid |
| 766 | C43H59NO11 | 16-O-Demethyl-8-O-dodecatrienoyl BAC | 194, dodecatrienoic acid |
| 778 | C44H59NO11 |
16-O-Demethyl-8-O-tridecatetraenoyl BAC | 206, tridecatetraenoic acid |
| 786 | C44H67NO11 | 16-O-Demethyl-8-O-(methyl)-dodecanoyl BAC | 214, methyl dodecanoic acid |
| 800 | C45H69NO11 | 16-O-Demethyl-8-O-retradecanoyl BAC | 228, tetradecanoic acid |
| 854 | C49H75NO11 | 16-O-Demethyl-8-O-oleoyl BAC | 282, oleic acid |
| 856 | C49H77NO11 | 16-O-Demethyl-8-O-stearoyl BAC | 284, stearic acid |
| 870 | C50H79NO11 | 16-O-Demethyl-8-O-(methyl)-stearoyl BAC | 298, methyl stearic acid |
| 884 | C51H81NO11 | 16-O-Demethyl-8-O-arachidyl BAC | 312, arachidic acid |
| 898 | C52H83NO11 | 16-O-Demethyl-8-O-heneicosanoyl BAC | 326, heneicosanoic acid |
| 926 | C54H87NO11 | 16-O-Demethyl-8-O-tricosanoyl BAC | 354, tricosanoic acid |
|
| 616 | C33H45NO10 | 16-O-Demethyl-3-deoxy AC (M1) | NA | 3-Deoxy AC (C34H47NO10, 630) from AC;
human; intestinal bacteria;
anaerobic incubation, in vitro. | IT, FT-ICR |
[29] |
| 614 | C34H47NO9 | 1,13-Dideoxy AC (M2) | NA |
| 588 | C32H45NO9 | 3-Deoxy BAC (M3) | NA |
| 484 | C25H41NO8 | 3-Deoxy aconine (M4) | NA |
| 644 | C35H49NO10 | 3-Deoxy-8-O-propionyl BAC | 74, propionic acid |
| 658 | C36H51NO10 | 3-Deoxy-8-O-butyryl BAC | 88, butyric acid |
| 700 | C39H57NO10 | 3-Deoxy-8-O-heptanoyl BAC | 130, heptanoic acid |
| 702 | C38H55NO11 | 3-Deoxy-8-O-(2-methyl-3-hydroxy)-valeryl BAC | 132,
2-methyl-3-hydroxy valeric acid |
| 714 | C40H59NO10 | 3-Deoxy-8-O-octanoyl BAC | 144, octanoic acid |
| 730 | C40H59NO11 | 3-Deoxy-8-O-(3-hydroxy)-octanoyl BAC | 160, 3-hydroxy octanoic acid |
| 746 | C43H55NO10 | 3-Deoxy-8-O-undecapentaenoyl BAC | 176, undecapentaenoic acid |
| 762 | C44H59NO10 | 3-Deoxy-8-O-dodecatetraenoyl BAC | 192, dodecatetraenoic acid |
| 786 | C44H67NO11 | 3-Deoxy-8-O-(hydroxy)-dodecanoyl BAC | 216, hydroxy dodecanoic acid |
| 800 | C45H69NO11 | 3-Deoxy-8-O-(hydroxy)-tridecanoyl BAC | 230, hydroxy tridecanoic acid |
| 814 | C46H71NO11 | 3-Deoxy-8-O-(3-hydroxy)-tetradecanoyl BAC | 244, hydroxy tetradecanoic acid |
| 828 | C47H73NO11 | 3-Deoxy-8-O-(hydroxy)-pentadecanoyl BAC | 258, hydroxy pentadecanoic acid |
| 854 | C50H79NO10 | 3-Deoxy-8-O-propionyl BAC | 284, stearic acid |
|
| 602 | C32H43NO10 | 1,16-O-Didemethyl-3-deoxy AC (M1) | NA | 16-O-Demethyl-3-deoxy AC (C33H45NO10, 616) from AC;
human; intestinal bacteria;
anaerobic incubation, in vitro. | IT, FT-ICR |
[30] |
| 600 | C33H45NO9 | 16-O-Demethyl-3-deoxy-deoxy AC (M2) | NA |
| 574 | C31H43NO9 | 16-O-Demethyl-3-deoxy BAC (M3) | NA |
| 470 | C24H39NO8 | 16-O-Demethyl-3-deoxy aconine (M4) | NA |
| 630 | C34H47NO10 | 16-O-Demethyl-3-deoxy-8-O-propionyl BAC | 74, propionic acid |
| 644 | C35H49NO10 | 16-O-Demethyl-3-deoxy-8-O-butyryl BAC | 88, butyric acid |
| 696 | C39H53NO10 | 16-O-Demethyl-3-deoxy-8-O-octadienoyl BAC | 140, octadienoic acid |
| 700 | C39H57NO10 | 16-O-Demethyl-3-deoxy-8-O-octanoyl BAC | 144, octanoic acid |
| 702 | C38H55NO11 | 16-O-Demethyl-3-deoxy-8-O-(hydroxy)-heptanoyl BAC | 146, hydroxy heptanoic acid |
| 730 | C40H59NO11 | 16-O-Demethyl-3-deoxy-8-O-(hydroxy)-nonanoyl BAC | 174, hydroxy nonanoic acid |
| 746 | C43H55NO10 | 16-O-Demethyl-3-deoxy-8-O-dodecapentaenoyl BAC | 190, dodecapentaenoic acid |
| 762 | C44H59NO10 | 16-O-Demethyl-3-deoxy-8-O-tridecatetraenoyl BAC | 206, tridecatetraenoic acid |
| 778 | C45H63NO10 | 16-O-Demethyl-3-deoxy-8-O-tetradecatrienoyl BAC | 222, tetradecatrienoic acid |
|
