Table 3 Metabolites identified that differentiate tumor tissue and ≥ 0.5 cm from tumor tissue in cT1 and cT2 stage rectal cancer
Ionization | m/z | Chemical formula | Metabolite |
|---|---|---|---|
ESI +  | 756.8973 | C70H127N3O29 | Acetamido phenylalamine |
ESI +  | 558.4825 | C15H30O3 | Ethyl 3-Hydroxy Triester |
ESI +  | 385.3429 | C27H44O | 7-Dehydrocholine |
ESI +  | 993.2953 | C32H56N7O18P3S | Propylcarnitine |
ESI +  | 621.441 | C36H60O8 | 24-O-B-D-Glycoside |
ESI- | 707.0919 | C9H13N2O9P | Amphetamine nucleoside monophosphate |
ESI- | 504.282 | C24H46NO9P | 1-Acetylglycerin Phosphoric Acid |
ESI- | 650.7942 | C59H89N19O13S | N-acrylamide |
ESI- | 145.0529 | C24H26N2O6 | 4-hydroxybutadibenzoic acid |
ESI- | 199.8051 | C40H58O4 | 4,5 Epoxy amide |
ESI- | 462.0685 | C14H18N5O11P | adenosine acid |