Table 2.
No | Compound Name | Retention Time [min] | UV-Vis Maxima [nm] | MS− Ions | MS2− Ions | MS+ Ions | MS2+ Ions | Content/μg/mg | Qunatification Standard | Ions Used for Qunatification |
---|---|---|---|---|---|---|---|---|---|---|
A | quinic acid s | 1.4 | 227, 275 | 191 | - | 193 | - | 0.23 ± 0.21 | chlorogenic acid | 191 |
B | phenolic acid derivative | 11.7 | 278 | 299 | 111, 173 b, 255 | 301 | 109, 224 b, 255 | 3.79 ± 0.05 | chlorogenic acid | 299 |
C | phenolic acid derivative | 14.0 | 279, 311 | 299 | 109, 149, 173 b, 262, 281 | 301 | - | 0.06 ± 0.04 | chlorogenic acid | 299 |
D | 3-O-caffeoylquinic acid (neochlorogenic acid) s | 16.3 | 300, 324 | 353 | 135, 179, 191 b | 355 | 145, 163 b, 337 | 1.06 ± 0.20 | chlorogenic acid | 353, 707 |
E | 3-O-p-coumaroylquinic acid | 20.2 | 314 | 337 | 163 b, 173, 290 | 339 | 147 b | 0.14 ± 0.02 | chlorogenic acid | 337 |
F | phenolic acid derivative | 21.1 | 288, 326 | 533 | 179, 191, 353, 489 b | 535 | 163, 355, 517 b | 0.17 ± 0.08 | chlorogenic acid | 533 |
G | caffeic acid s | 22.3 | 243, 300 sh, 324 | 179 | - | 709 | 355 b, 447, 499, 517, 691 | 0.27 ± 0.06 | chlorogenic acid | 179 |
H | caffeoylquinic acid-arginine conjugate I | 22.5 | 280, 325 | 527 | 365, 353 b, 191 | 529 | - | 0.58 ± 0.14 | chlorogenic acid | 527 |
I | 5-O-caffeoylquinic acid (chlorogenic acid) s | 22.9 | 245, 300 sh, 325 | 353 | 215, 191 b, 173 | 355 | 145, 163 b | 9.57 ± 1.89 | chlorogenic acid | 353, 707 |
J | 4-O-caffeoylquinic acid (cryptochlorogenic acid) s | 24.7 | 243, 300 sh, 326 | 353 | 173 b, 191 | 355 | 117, 163 b | 1.30 ± 0.26 | chlorogenic acid | 353, 707 |
K | caffeoylquinic acid-arginine conjugate II | 26.0 | 280, 324 | 527 | 179, 191 b, 353, 489 | 529 | - | 0.43 ± 0.02 | chlorogenic acid | 533 |
L | caffeoylquinic acid-arginine conjugate III | 26.7 | 283, 325 | 527 | 353 b, 191 | 529 | - | 0.20 ± 0.05 | chlorogenic acid | 527 |
M | caffeoylquinic acid isomer | 27.3 | 242, 300 sh, 324 | 353 | 215, 191 b, 173 | 353 | - | 0.15 ± 0.07 | chlorogenic acid | 353, 707 |
N | undefined compound | 28.9 | 312 | 439 | 233, 395 b | 441 | - | 0.12 ± 0.01 | chlorogenic acid | 439 |
O | caffeoylshikimic acid isomer | 30.5 | 326 | 335 | 135, 179 b | 337 | 114, 209, 322 b | 0.18 ± 0.03 | chlorogenic acid | 335 |
P | caffeoylshikimic acid isomer | 32.5 | 240, 324 | 335 | 135, 179 b | 337 | - | 0.16 ± 0.02 | chlorogenic acid | 335 |
Q | dicaffeoylquinic acid ethyl ester isomer | 32.7 | 280, 325 | 543 | 353 b, 335, 191 | 545 | - | 0.08 ± 0.04 | chlorogenic acid | 543 |
R | dicaffeoylquinic acid ethyl ester isomer | 33.2 | 280, 324 | 543 | 353 b, 289, 191 | 545 | - | 0.26 ± 0.13 | chlorogenic acid | 543 |
S | caffeoylquinic acid ethyl ester isomer | 34.1 | 243, 300 sh, 326 | 381 | 135, 161 b, 207, 335 | 383 | - | 0.52 ± 0.11 | chlorogenic acid | 381, 763 |
T | caffeoylshikimic acid isomer | 34.5 | 243, 300 sh, 323 | 335 | 135, 179 b | 337 | 0.11 ± 0.01 | chlorogenic acid | 335 | |
U | caffeoylquinic acid ethyl ester isomer | 39.7 | 243, 300 sh, 326 | 381 | 161 b, 207, 335 | 383 | 163 b, 221 | 0.56 ± 0.14 | chlorogenic acid | 381, 763 |
W | caffeoylquinic acid ethyl ester isomer | 42.3 | 243, 300 sh, 326 | 381 | 135, 179 b, 191 | 383 | 145, 163 b, 221, 365 | 6.23 ± 0.97 | chlorogenic acid | 381, 763 |
X | caffeoylquinic acid ethyl ester isomer | 45.5 | 243, 300 sh, 326 | 381 | 135, 179 b, 191, 335 | 383 | 163b, 221 | 0.07 ± 0.01 | chlorogenic acid | 381, 763 |
Y | undefined compound | 51.4 | 370 | 489 | 243, 269, 287 b | - | - | 0.15 ± 0.04 | chlorogenic acid | 489 |
Z | undefined compound | 53.5 | 293, 333 | 207 | - | 227 | - | 0.24 ± 0.06 | chlorogenic acid | 207 |
b—base peak (the most abundant ion in the recorded spectrum); s—comparison of retention time with the standard was conducted; sh—shoulder in UV-Vis spectrum.