| No. | t (min) | Mass (m/z) | Calculated ass (m/z) | Proposed formula | Fragments | Deduced structure | Type |
| 1 | 1.77 | 389.1077 | 389.1084 | C16H22O11 | 227, 183, 165, 139 | Deacetyl asperulosidic acid | Iridoids | 2 | 2.13 | 373.1130 | 373.1135 | C16H22O10 | 193,149,123,167,121,101,211 | Gardoside | Iridoids | 3 | 2.58 | 391.1237 | 391.1240 | C16H24O11 | 229, 211, 193, 185, 167, 149 | Shanzhiside | Iridoids | 4 | 2.64 | 373.1127 | 373.1135 | C16H22O10 | 149, 123, 105, 211 | Geniposidic acid | Iridoids | 5 | 3.28 | 449.1286 | 449.1295 | C17H24O11 | 241, 127, 223, 193, 101 | Scandoside methyl ester | iridoids | 6 | 3.53 | 449.1288 | 449.1295 | C17H24O11 | 241, 127, 223, 193, 101 | Gardenoside | Iridoids | 7 | 3.86 | 345.1552 | 345.1549 | C16H26O8 | 165, 121, 183, 101, 89 | Jasminoside B | Monoterpenoids | 8 | 6.17 | 353.0872 | 353.0873 | C16H18O9 | 191, 135 | Chlorogenic acid | Organic acids | 9 | 6.64 | 549.1800 | 549.1820 | C23H34O15 | 225, 123, 101, 207 | Genipin-1-β-D-gentiobioside | Iridoids | 10 | 8.02 | 387.1282 | 387.1291 | C17H24O10 | 225, 123, 101, 207 | Geniposide | Iridoids | 11 | 9.28 | 375.1653 | 375.1655 | C17H27O9 | 113, 89, 101, 59, 85, 71, 143 | Jasminoside A/E | Monoterpenoids | 12 | 9.55 | 375.1650 | 375.1655 | C17H27O9 | 113, 89, 101, 59, 85, 71, 143 | Jasminoside A/E | Monoterpenoids | 13 | 9.95 | 183.1039 | 183.1021 | C10H16O3 | 139, 137, 109, 123 | Jasminodiol | Monoterpenoids | 14 | 10.46 | 351.1423 | 351.1420 | C16H24O7 | 167 | Zataroside B | Monoterpenoids | 15 | 10.69 | 503.1747 | 503.1765 | C22H32O13 | 205, 223, 190 | 2-Methyl-L-erythritol-4-O-(6-O-trans-sinapoyl)-β-D-glucopyranoside | Organic acids | 16 | 11.29 | 503.1747 | 503.1765 | C22H32O13 | 205, 223, 190 | 2-Methyl-L-erythritol-1-O-(6-O-trans-sinapoyl)-β-D-glucopyranoside | Organic acids | 17 | 12.64 | 609.1437 | 609.1456 | C27H30O16 | 301, 271, 343 | Quercetin-3-O-rutinoside | Flavonoids | 18 | 12.76 | 429.2111 | 429.2122 | C19H26O11 | 191, 209, 339, 113, 249 | 10-O-Acetylgeniposide | Iridoids | 19 | 12.79 | 609.1430 | 609.1456 | C27H30O16 | 301, 300, 151, 179 | Rutin | Flavonoids | 20 | 13.13 | 463.0876 | 463.0863 | C21H20O12 | 300, 301, 271, 151, 255 | Isoquercitrin | Flavonoids | 21 | 13.30 | 581.2234 | 581.2234 | C28H38O13 | 401, 389, 371, 356, 265 | (+)-Lyoniresinol-3a-O-b-glucopyranoside | Lignans | 22 | 13.58 | 579.1695 | 579.1714 | C27H32O14 | 205, 325, 367, 385, 223, 123 | 6′-O-trans-Sinapoyl gardoside | Iridoids | 23 | 13.81 | 539.1177 | 515.1190 | C25H24O12 | 353, 173, 179, 191 | 3,4-Di-O-Caffeoylquinic acid/3,5-Di-O-caffeoylquinic acid | Phenolic acids | 24 | 13.91 | 565.1903 | 565.1921 | C27H34O13 | 325, 265, 223, 295 | 11-(6-O-trans-Sinapoylglucopyranosyl)-gardendiol | Iridoids | 25 | 14.25 | 539.1167 | 515.1190 | C25H24O12 | 353, 173, 179, 191 | 3,4-Di-O-Caffeoylquinic acid/3,5-Di-O-caffeoylquinic acid | Phenolic acids | 26 | 14.29 | 491.2109 | 491.2129 | C22H36O12 | 167, 323, 221, 125, 263 | Jasminoside S/H/I | Monoterpenoids | 27 | 15.45 | 755.2377 | 755.2399 | C34H44O19 | 123, 223, 205, 101, 427, | 6′-O-trans-Sinapoyl genipin gentiobioside | Iridoids | 28 | 15.73 | 725.2278 | 725.2293 | C33H42O18 | 499, 123, 193, 225 | 6′′-O-trans-Feruloyl-genipin gentiobioside | Iridoids | 29 | 16.30 | 659.15969 | 659.1612 | C31H32O16 | 497, 335, 353, 191, 161 | 3,4-Dicaffeoyl-5-(3-hydroxy-3-methylglutaroyl) quinic acid | Phenolic acids | 30 | 16.76 | 975.3686 | 975.3709 | C44H64O24 | 651, 327, 283, 239 | trans-Crocin4/cis-crocin4 | Carotenoids | 31 | 16.90 | 551.2115 | 551.2129 | C27H36O12 | 533, 521, 265, 367 | 6′-O-trans-Sinapoyl jasminoside L | Monoterpenoids | 32 | 17.16 | 559.1433 | 559.1452 | C27H28O13 | 173, 223,397 | 5-O-Caffeoyl-4-O-sinapoylquinic acid | Phenolic acids | 33 | 17.97 | 559.1432 | 559.1452 | C27H28O13 | 173, 223,397 | 4-Sinapoyl-5-caffeoylquinic acid | Phenolic acids | 34 | 18.12 | 593.1845 | 593.1870 | C28H34O14 | 367, 223, 205, 123 | 6′- trans-Sinapoyl geniposide | Iridoids | 35 | 19.68 | 813.3158 | 813.3181 | C38H54O19 | 651, 327, 283 | trans-Crocin3/cis-crocin3 | Carotenoids | 36 | 20.01 | 301.0351 | 301.0348 | C15H10O7 | 151, 273, 73 | Quercetin | Flavonoids | 37 | 20.19 | 679.2216 | 679.2238 | C32H40O16 | 531, 225, 123, 147, 101 | 6”-O-trans-p-Cinnamoyl genipin gentiobioside | Iridoids | 38 | 20.28 | 345.0611 | 345.0610 | C17H14O8 | 315, 330, 287 | 5,7,3,4-Tetrahydroxy-6,8-dimethoxy flavone | Flavonoids | 39 | 20.37 | 533.2006 | 533.2023 | C27H34O11 | 205, 367, 223, 165, 190 | 6′-O-trans-Sinapoyl jasminoside A | Monoterpenoids | 40 | 20.44 | 975.368 | 975.371 | C44H64O24 | 651, 327, 283, 239 | trans-Crocin4/cis-crocin4 | Carotenoids | 41 | 20.45 | 651.2630 | 651.2653 | C32H44O14 | 327, 283, 239 | cis-Crocin2/trans-crocin2/cis-crocin2/trans-crocin2′ | Carotenoids | 42 | 20.54 | 533.20063 | 533.2023 | C27H34O11 | 205, 367, 223, 165, 190 | 6′-O-trans-Sinapoyl jasminoside C | Monoterpenoids | 43 | 20.65 | 651.26332 | 651.2653 | C32H44O14 | 327, 283, 239 | cis-Crocin2/trans-crocin2/cis-crocin2/trans-crocin2′ | Carotenoids | 44 | 20.70 | 813.3158 | 813.3181 | C38H54O19 | 651, 327, 283 | trans-Crocin3/cis-crocin3 | Carotenoids | 45 | 20.80 | 375.0710 | 375.0716 | C18H16O9 | 360, 345, 330 | 4,5,6,7-Tetrahydroxy-3,3,5-trimethoxyflavone | Flavonoids | 46 | 20.89 | 329.0661 | 329.0661 | C17H13O7 | 314, 299, 271, 227 | 2-(3,5-Dihyroxy-4-ethoxyphenyl)-5-hydroxy-7-methoxy-4H-chromen-4-one | Flavonoids | 47 | 21.29 | 651.2632 | 651.2653 | C32H44O14 | 327, 283, 239 | cis-Crocin2/trans-crocin2/cis-crocin2/trans-crocin2′ | Carotenoids | 48 | 22.56 | 499.3035 | 499.3060 | C30H44O6 | 455, 437, 481, 393 | Dikamaliartanes A | Triterpenes | 49 | 22.79 | 327.1596 | 327.1596 | C20H24O4 | 239, 283 | Crocetin | Carotenoids | 50 | 22.82 | 487.3405 | 487.3424 | C30H48O5 | 469, 437, 425, 393 | Erubigenin | Triterpenes | 51 | 23.28 | 489.3558 | 489.3580 | C30H50O5 | 471, 441 | Secaubrytriol | Triterpenes | 52 | 23.61 | 269.0453 | 269.0450 | C15H10O5 | 241, 225 | Genistein | Flavonoids | 53 | 23.97 | 485.3249 | 485.3267 | C30H46O5 | 441, 423, 467, 367 | Gardenic acid B | Triterpenes | 54 | 26.87 | 471.3458 | 471.3474 | C30H48O4 | 453, 423, 409 | Quadrangularic acid E | Triterpenes | 55 | 26.93 | 469.3302 | 469.3318 | C30H46O4 | 451, 407, 423 | 9,19-Cyclolanost-24-ene-3,23-dione | Triterpenes | 56 | 28.67 | 455.3515 | 455.3525 | C30H48O3 | 407, 391, 377 | Ursolic acid/oleanolic acid | Triterpenes |
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