Table 1. Overview of Ions of Interest and Their Associated Chemical Formulas from Both Cell Line Characterizationsa.
| metabolite short name | ion (m/z) | found in labelled | HRAM | suggested chemical formula | accurate mass | IRIS from |
|---|---|---|---|---|---|---|
| DGSM | 635(+) | VIC/H | C35H48O9 (Na+) | 635.319054 | ||
| MA | 499(+) | IIIC/H, IVC/H | 499.19597 | C25H32O9 (Na+) | 499.1939 | IVC |
| MB | 515(+) | IC/H, IIC/H | 515.19120 | C25H32O10 (Na+) | 515.1888 | IC |
| MC | 555(−) | SIH | C25H32O12S (−H) | 555.1531 | SIH | |
| MD | 675(+) | IH, IIH | 675.22950 | C31H40O15 (Na+) | 675.2260 | IIH |
a
DGSM and metabolites MA, MB, and MD are measured in positive mode, whereas MC is measured in negative mode.