. 2021 Apr 21;6(17):11319–11326. doi: 10.1021/acsomega.1c00289

Table 4. Mass Data and Major Fragments of the Seven Bioactive Compounds in KXP Acquired by HPLC–QTOF-MS.

compound	RT (min, mean ± SD)	formula	theoretical mass (m/z)	measured mass (m/z)	error (ppm)	major fragments (m/z)
POL	18.2 ± 0.10	C₂₅H₂₈O₁₅	567.1350	567.1124	–2.47	345.0496, 315.0382
DISS	27.8 ± 0.05	C₃₄H₄₂O₁₉	753.2242	753.1972	–3.72	547.1504, 205.0407
AAS	56.6 ± 0.05	C₁₂H₁₆O₃	209.1178	209.1146	1.91	194.0922, 179.0697
BAS	54.4 ± 0.05	C₁₂H₁₆O₃	209.1178	209.1173	0.48	194.0949, 179.0722
DTU	68.1 ± 0.05	C₃₁H₄₈O₄	483.3474	483.3258	–1.45	421.2962, 295.1683
PAC	81.5 ± 0.10	C₃₃H₅₂O₅	527.3737	527.3577	2.28	465.3185, 405.2962
DTR	90.2 ± 0.20	C₃₀H₄₆O₃	455.3525	455.3325	1.10	437.3260, 295.2185