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. 2021 Aug 30;12:681532. doi: 10.3389/fphar.2021.681532

TABLE 1.

Phytochemical composition of NSP01-TE and NSP01 using UHPLC-DAD-ESI-MS/MS analysis.

Peak tR (min) Adduct Calculated m/z Experimental m/z Mass accuracy ∆m (mDa) Experimental MS2 m/z Identification Fragment identification Fragment structure
1 1.3 [M−H] 315.0711 315.0718 0.7 153.0185 Protocatechuic acid-O-hexoside Protocatechuic acid graphic file with name fphar-12-681532-fx1.jpg
2 4.0 [M−H] 153.0182 153.0192 1.0 109.0294 Protocatechuic acid 1,2-benzendiol graphic file with name fphar-12-681532-fx2.jpg
3 6.7 [M+H]+ 243.1492 243.1487 0.5 226.1233 Hup A Desamino-huperzine A graphic file with name fphar-12-681532-fx3.jpg
4 9.7 [M−H] 179.0339 179.0347 0.8 135.0449 Caffeic acid 3–4,dihydroxystyrene graphic file with name fphar-12-681532-fx4.jpg
5 10.3 [M−H] - 395.0964 NA 193.0498 Unknown glucuronide Unknown Unknown
175.0395 Unknown Unknown
201.0397 Unknown Unknown
219.0501 Unknown Unknown
6 12.0 [M−H] 353.0867 353.0875 0.8 191.0557 Chlorogenic acida 1,3,4,5-tetrahydroxycyclohexanecarboxylic acid graphic file with name fphar-12-681532-fx5.jpg
161.0249 unamed graphic file with name fphar-12-681532-fx6.jpg
179.0357 Caffeic acid graphic file with name fphar-12-681532-fx7.jpg
7 12.6 [M−H] - 308.0769 NA 149.0603 Unknown Unknown Unknown
192.0657 Unknown Unknown
134.0368 Unknown Unknown
8 12.8 [M−H] - 473.1286 NA 329.0866 Unknown Unknown Unknown
167.0341 Unknown Unknown
9 14.7 [M−H] 193.0495 193.0502 0.7 134.0367 Ferulic acid 3–4,dihydroxystyrene (radical) graphic file with name fphar-12-681532-fx8.jpg
178.0264 Caffeic acid (radical) graphic file with name fphar-12-681532-fx9.jpg
10 15.0 [M−H] - 399.0932 NA 193.0497 Unknown phenolic acid Unknown Unknown
167.0341 Unknown Unknown
237.0394 Unknown Unknown
11 15.7 [M−H] - 395.0971 NA 193.0499 Unknown glucuronide Unknown Unknown
219.0504 Unknown Unknown
201.0397 Unknown Unknown
175.0395 Unknown Unknown
12 15.9 [M−H] - 501.1606 NA 195.0655 Unknown Unknown Unknown
357.1182 Unknown Unknown
399.1284 Unknown Unknown
a

The intensity of compound 6 in both extracts is very low. However, the fragmentation was possible in NSP01-TE and NSP01 extract and the fragment ions of compound 6 are presented from NSP01-TE extract fragmentation.