Table 2 HPLC-qToF-MS results for the sample from Aristotle with a Bust of Homer

From: Identification of yellow lake pigments in paintings by Rembrandt and Vermeer: the state of the art revisited

#

RT (min)

Compound name

Formula (MW)

[M-H]-, m/z (error ppm)

Fragment ions (−)

[M + H]+, m/z (error ppm)

Fragment ions (+)

λmax, nm

6

8.2

Carminic acid (CA)

C22H20O13 (492)

491.0825 (1.2)

447 (16), 429 (12), 399 (3), 369 (7), 357 (95), 339 (17), 327 (100), 299 (50), 298 (39), 285 (12)

493.0976 (0.1)

421 (3), 403 (10), 391 (10), 379 (16), 355 (100), 337 (24), 325 (32), 299 (16), 281 (5), 271 (12)

274, 310, 494

7

10.3

CA side product 1

C22H19BF2O13 (tentative assignment) (540)

539.0811 (2.1)

521 (9), 461 (8), 449 (100), 419 (40), 405 (13), 390 (7), 383 (8)

541.0968 (−0.7)

403 (16), 379 (16), 355 (100), 337 (24), 325 (40)

283, 495

8

11.1

CA side product 2

C23H21O13 (506)

505.0984 (1.4)

473 (100), 455 (8), 415 (15), 383 (41), 353 (53), 325 (40), 297 (9)

507.1126 (1.5)

421 (3), 403 (13), 391 (8), 379 (19), 365 (5), 355 (100), 337 (23), 325 (40), 309 (5), 299 (9), 281 (4), 271 (9)

273, 307, 494

9

12.3

Quercetin

C15H12O7 (302)

391.0344 (3.2)

273 (4), 245 (6), 179 (15), 151 (100), 121 (39), 107 (34), 93 (6), 83 (10)

303.0496 (1.2)

285 (7), 274 (5), 257 (19), 229 (54), 201 (31), 153 (100), 137 (46)

254, 369

10

14.2

Kaempferol

C15H10O6 (286)

285.0395 (3.5)

257 (5), 239 (10), 229 (13), 211 (14), 154 (11), 134 (13)

287.0541 (3.2)

258 (8), 241 (7), 229 (6), 213 (22), 185 (8), 171 (7), 165 (18), 153 (100), 121 (44), 107 (14)

263, 364

11

16.5

Rhamnetin

C16H12O7 (316)

315.0499 (3.7)

300 (20), 165 (100), 150 (11),121 (44), 97 (14)

317.0652 (1.3)

302 (32), 274 (100), 257 (16), 243 (47), 228 (30), 215 (26), 200 (20), 179 (17), 167 (90), 137 (45), 123 (80)

254, 369

12

18.8

Rhamnocitrin

C16H12O6 (300)

299.0551 (3.4)

284 (51), 271 (56), 256 (59), 255 (50), 243 (57), 228 (48), 212 (23), 178 (41), 165 (100), 163 (78), 15 (55), 122 (19), 93 (50)

301.0705 (0.4)

286 (27), 258 (100), 212 (23), 184 (9), 167 (36), 151 (7), 134 (10), 124 (24), 121 (24), 107 (54)

263, 366

13

22.5

Emodin

C15H10O5 (270)

269.0447 (3.3)

241 (35), 225 (83), 210 (7), 197 (12)

271.0600 (0.2)

229 (13), 225 (65), 197 (100), 169 (91), 141 (86), 115 (59), 91 (31), 79 (10)

286, 439

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