1 |
1.311 |
Quinic acid |
C7H12O6
|
192.06344 |
191.06339 |
- |
0.29 |
173.04541,127.03965,111.00825,93.03391 |
2 |
1.317 |
Trigonelline |
C7H7NO2
|
137.04808 |
138.05550 |
+ |
2.90 |
94.0659 |
3 |
1.367 |
DL-Malic acid |
C4H6O5
|
134.02112 |
134.02152 |
- |
-3.04 |
115.00318,189.01858,71.01306 |
4 |
1.500 |
Succinic acid |
C6H6O4
|
118.02617 |
118.02661 |
- |
-3.68 |
99.00818,71.01290 |
5 |
1.701 |
hydroxymethylfurfural |
C6H6O3
|
126.03222 |
126.03169 |
+ |
4.18 |
109.02909,71.05002,53.03947 |
6 |
1.996 |
Gallic acid |
C7H6O5
|
170.02144 |
169.01416 |
- |
-0.47 |
125.02396 |
7 |
2.627 |
Vanillic acid |
C8H8O4
|
168.04231 |
168.04226 |
- |
0.31 |
152.01131,123.04471,95.01313 |
8 |
2.766 |
3-Hydroxymandelic acid |
C8H8O4
|
168.04231 |
168.04226 |
- |
0.31 |
149.02426,123.04471 |
9 |
3.053 |
Protocatechuic acid-4-glucoside |
C13H16O9
|
316.08052 |
316.07943 |
- |
3.44 |
153.01915,109.02897,108.02114 |
10 |
3.179 |
Protocatechuic acid |
C7H6O4
|
154.02652 |
154.02661 |
- |
-0.59 |
109.02895 |
11 |
3.639 |
coniferyl aldehyde |
C10H10O3
|
178.06372 |
178.06299 |
+ |
4.09 |
161.06026,149.06030,103.05499 |
12 |
3.823 |
CQA-3’-glycoside |
C22H28O14
|
516.15022 |
516.14924 |
- |
1.90 |
341.08755,353.11353,323.07819,191.05629,161.02429 |
13 |
4.256 |
Scopolin |
C16H18O9
|
354.09622 |
345.09508 |
- |
3.23 |
191.05623 |
14 |
4.310 |
CA-hexoside |
C15H17O9
|
342.09639 |
342.13280 |
- |
3.82 |
179.03502,135.04480 |
15 |
4.351 |
citric acid |
C6H8O7
|
192.02717 |
191.27000 |
- |
1.04 |
85.02879,87.00807,111.00826 |
16 |
4.379 |
Sinapinic acid |
C11H12O5
|
224.06924 |
224.06847 |
+ |
3.43 |
147.04456,132.02094 |
17 |
4.635 |
Cryptochlorogenic acid |
C16H18O9
|
354.09613 |
354.09508 |
- |
2.93 |
191.05623,179.03493,173.04547,135.04482 |
18 |
4.688 |
3-Feruloylquinic acid |
C17H19O9
|
368.11205 |
368.11073 |
- |
3.59 |
193.05074 |
19 |
5.057 |
Pimelic acid |
C7H12O4
|
160.07344 |
160.07356 |
- |
-0.75 |
115.07593,97.06523 |
20 |
5.091 |
Caffeic acid |
C9H8O4
|
180.04237 |
180.04226 |
- |
0.63 |
135.04457,117.03414,107.04974 |
21 |
5.399 |
Epicatechin |
C15H14O6
|
290.08026 |
290.07904 |
- |
4.20 |
245.08272,203.07173,123.04475,109.02896 |
22 |
5.408 |
Catechin |
C15H14O6
|
290.08026 |
290.07904 |
- |
4.20 |
245.08272,151.03987,137.02423,109.02896 |
23 |
5.745 |
2,4-Dihydroxybenzoic acid |
C7H6O4
|
154.02661 |
154.02661 |
- |
-0.62 |
135.00842,109.02895 |
24 |
5.973 |
5-Feruloylquinic acid |
C17H19O9
|
368.11198 |
368.11073 |
- |
3.48 |
191.05624 |
25 |
6.518 |
Sedanolide |
C12H18O2
|
194.13126 |
194.13068 |
+ |
2.98 |
149.13306,93.07068,81.07072 |
26 |
7.149 |
isoquercitrin |
C21H20O12
|
464.09709 |
464.09548 |
- |
3.48 |
300.02847,271.02579,255.03061,151.00346,107.01323 |
27 |
7.156 |
Quercetin |
C15H10O7
|
302.04357 |
302.04265 |
+ |
3.02 |
257.04504,229.05029,165.01872,153.01862,137.02380 |
28 |
7.209 |
Ferulic acid |
C10H10O4
|
194.05856 |
194.05791 |
+ |
3.34 |
177.05521,145.02892,117.03412,89.03938 |
29 |
7.628 |
Fraxetin |
C10H8O5
|
208.07436 |
208.07356 |
+ |
3.84 |
181.08638,163.11223,149.06024,121.06545 |
30 |
7.737 |
Chlorogenic acid |
C16H18O9
|
354.09612 |
354.09508 |
+ |
2.25 |
163.03938,135.04446 |
31 |
7.743 |
Isochlorogenic acid B |
C25H24O12
|
516.12810 |
516.12678 |
- |
2.57 |
173.04550,179.03503,153.08896 |
32 |
8.034 |
Isochlorogenic acid A |
C25H24O12
|
516.12795 |
516.12678 |
- |
2.28 |
191.05624,353.08902,179.03511,161.02434 |
33 |
8.036 |
Neochlorogenic acid |
C16H18O9
|
354.09614 |
354.09508 |
- |
2.06 |
191.05623,179.03497,135.04482 |
34 |
8.414 |
Quercetin-3β-D-glucoside |
C21H20O12
|
464.09698 |
464.10425 |
- |
3.25 |
301.03638,178.99867 |
35 |
8.449 |
Isoferulic acid |
C10H10O4
|
194.05872 |
194.05791 |
+ |
4.17 |
177.05521,145.02896,123.04463 |
36 |
8.857 |
Isochlorogenic acid C |
C25H24O12
|
516.12798 |
516.12678 |
- |
2.33 |
173.04552,179.03505,353.08905,93.03395 |
37 |
8.981 |
3-FQA-hexoside |
C23H29O14
|
530.14420 |
530.14243 |
- |
3.34 |
367.10458,193.04546,173.04546 |
38 |
8.984 |
4-FQA-hexoside |
C23H29O14
|
530.14420 |
530.14243 |
- |
3.34 |
367.10437,193.05077,179.03494 |
39 |
9.239 |
3-caffeoyl-4-feruloyquinic acid |
C26H25O12
|
530.14419 |
530.14243 |
- |
3.33 |
367.10458,335.07816,193.05080,173.04546 |
40 |
9.239 |
4-caffeoyl-5-feruloyquinic acid |
C26H25O12
|
530.14423 |
530.14243 |
- |
3.40 |
367.10483,353.08903,173.04552,179.03503,191.05629,135.04483 |
41 |
9.253 |
CQA-pentoside |
C22H27O13
|
500.13363 |
500.13186 |
- |
3.53 |
337.09402,179.03506,191.05627 |
42 |
9.447 |
Isferulic acid |
C10H10 O4
|
194.05819 |
193.05092 |
- |
1.45 |
178.02724,134.03700 |
43 |
9.503 |
4-Hydroxybenzoic acid |
C7H6O3
|
138.03145 |
138.03169 |
- |
-1.80 |
93.03393 |
44 |
9.503 |
Salicylic acid |
C7H6O3
|
138.03149 |
139.03169 |
- |
-1.46 |
93.03389 |
45 |
9.627 |
1,3- Dicaffeoylquinic acid |
C25H24O12
|
516.12810 |
516.18429 |
- |
4.11 |
191.05626,173.04553,179.03506 |
46 |
10.059 |
4-Feruloylquinic acid |
C17H19O9
|
368.11149 |
368.11073 |
- |
2.07 |
173.04553 |
47 |
10.081 |
5-FQA-hexoside |
C23H29O14
|
530.14423 |
530.14243 |
- |
3.34 |
367.10321,191.05623,173.04555 |
48 |
11.189 |
Luteolin |
C15H10O6
|
286.04901 |
286.04774 |
+ |
4.46 |
217.05087,133.02911,151.00310,107.01334 |
49 |
13.106 |
DL-Mandelic acid |
C8H8O3
|
152.04722 |
152.04734 |
+ |
-0.80 |
107.04973 |
50 |
15.494 |
Tianshic acid |
C18H34O5
|
330.24165 |
330.24062 |
- |
3.12 |
311.22437,293.21481,229.14499,171.10262 |
51 |
15.913 |
Umbelliferone |
C10H10O2
|
162.06851 |
162.06808 |
+ |
2.68 |
135.08086,133.06531,105.07056,107.08617 |
52 |
17.061 |
2-Desoxy-4-epipulchellin |
C15H22O3
|
250.15769 |
250.15689 |
+ |
3.17 |
233.15421,205.15935 |
53 |
23.367 |
Nervolan B |
C16H20O5
|
292.13221 |
292.13107 |
+ |
3.88 |
255.10027,161.06078 |
54 |
23.739 |
Archin |
C15H10O5
|
270.05391 |
270.05282 |
- |
4.01 |
241.05156,225.05637 |
55 |
25.802 |
Nootkatone |
C15H22O |
218.16789 |
218.16707 |
+ |
3.87 |
201.16437,135.12758,109.10180 |
56 |
25.802 |
Zerumbone |
C15H22O |
218.16791 |
218.16707 |
+ |
3.87 |
201.16402 |
57 |
26.154 |
alantolactone |
C15H20O2
|
232.14710 |
232.10994 |
+ |
2.81 |
215.14403,187.14893,163.07599 |
58 |
27.033 |
α-Eleostearic acid |
C18H30O2
|
278.22546 |
278.22458 |
+ |
3.17 |
243.21107 |
59 |
28.234 |
Caryophyllene Oxide |
C15H24O |
220.18353 |
220.18272 |
+ |
3.68 |
177.1646 |
60 |
10.220 |
3-caffeoyl-5-feruloyquinic acid |
C26H25O12
|
530.14424 |
530.14243 |
- |
3.40 |
353.08908,179.03502 |
61 |
11.380 |
CQL-hexoside |
C16H15O8
|
498.11700 |
498.11755 |
- |
0.31 |
335.07852,179.03502,161.02422,135.04477 |
62 |
12.451 |
Tomentosin |
C15H20O3
|
248.14203 |
248.14124 |
+ |
3.15 |
231.13846,177.12784,135.08073 |
63 |
14.352 |
Parthenium |
C15H20O3
|
248.14208 |
248.14124 |
+ |
3.37 |
231.13884,185.13318 |
64 |
16.422 |
Parthenolide |
C14H20O3
|
248.14208 |
248.14124 |
+ |
3.35 |
231.13869,185.13306 |
65 |
22.263 |
Germacrone |
C15H22O |
218.16789 |
218.09677 |
+ |
-4.48 |
201.16443,159.11749,145.10170,121.10186,95.08630 |
66 |
22.305 |
Spathulenol |
C15H24O |
220.18347 |
220.18272 |
+ |
3.44 |
203.18019,147.11734,105.07055 |
67 |
22.431 |
Thymol |
C10H14O |
150.10497 |
150.10447 |
+ |
3.35 |
109.06561,91.05502,65.03944 |
68 |
23.448 |
9,10-dihydroxy-12Z-octadecenoic acid |
C18H34O4
|
314.24696 |
314.24571 |
- |
3.97 |
295.22946,277.21826 |
69 |
27.980 |
2,4-Dimethylbenzaldehyde |
C9H10O |
134.11019 |
134.07316 |
+ |
3.30 |
107.08621 |
70 |
29.201 |
Dibutyl phthalate |
C16H22O4
|
278.15261 |
278.22458 |
+ |
4.09 |
149.02359 |
71 |
30.920 |
trans-Anethole |
C10H12O |
148.08930 |
148.08881 |
+ |
3.25 |
121.06541,107.04972,95.04996 |
72 |
41.281 |
Stigmasterol |
C29H48O |
412.37200 |
412.37052 |
+ |
3.59 |
395.36740,109.10165 |