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Table 1 Metabolites identified that differentiate tumor tissue and 5 cm from tumor tissue(normal tissue)

From: Association of levels of metabolites with the safe margin of rectal cancer surgery: a metabolomics study

Ionization

m/z

Chemical formula

Metabolite

ESI + 

558.4825

C15H30O3

Ethyl 3-Hydroxy Triester

ESI + 

371.3582

C73H138O6

Ditriglyceride

ESI + 

385.3429

C27H44O

7-Dehydrocholine

ESI + 

756.8973

C70H127N3O29

Acetamido phenylalamine

ESI + 

827.7486

C54H98O5

Triglyceride Monocelate

ESI + 

621.1909

C36H60O8

24-O-B-D-Glycoside

ESI + 

368.3444

C47H90O5

Triglyceride

ESI + 

398.3413

C25H45NO

N-Ethanolamine

ESI + 

993.2953

C32H56N7O18P3S

Propylcarnitine

ESI + 

403.3548

C34H65NO3

Fatty Acetyl

ESI + 

383.3289

C11H24O

Fatty Alcohol

ESI-

248.972

C8H10O4

3, 4-Dihydrooxyphenylpropanol

ESI-

199.8051

C40H58O4

4,5 Epoxy amide

ESI-

145.0529

C24H26N2O6

4-hydroxybutadibenzoic acid

ESI-

162.8388

ClH3O3

3' -phosphoamine sulfate 5' -phosphate

ESI-

195.8102

C35H58O7

1-O-β-D-glucosol-2

ESI-

504.282

C24H46NO9P

1-acetylglycerol phosphate

ESI-

253.0492

C9H14O6

1, 2, 3-triacetylglycerol

ESI-

707.0919

C9H13N2O9P

Amphetamine nucleoside monophosphate

ESI-

462.0685

C14H18N5O11P

adenosine acid

ESI-

684.3077

C26H37N9O6

N-acetyl-α amino acid

ESI-

650.7942

C59H89N19O13S

N-acrylamide