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. 2019 May 18;8(5):138. doi: 10.3390/antiox8050138

Table 1.

List of chemicalss and anthocyanins putatively identified by High-Performance Liquid Chromatography coupled to Electrospray Ionization Time-of-Flight Mass Spectrometry (HPLC ESI/MS-TOF) following extraction from CdN olive pulp at different stages of maturation.

N. Compound RT a (min) (M−H)− m/z Exp b m/z Clc c Diff. (ppm) d Score e Ref.f
1 * Quinic acid 2.82 C7H11O6 191.0510 191.0561 −5.89 90.44 [23,24,25]
2 Hydroxytyrosol glucoside 4.63 C14H19O8 315.1095 315.1085 −1.26 96.62 [22,23,25]
3 Secologanoside is. 1 4.85 C16H21O11 389.1095 389.1089 −1.11 88.91 [22,23,25]
4 Secologanoside is. 2 4.94 C16H21O11 389.1101 389.1089 −2.62 96.13 [24,26]
5 * Rutin 5.83 C27H29O16 609.1474 609.1461 −2.15 90.20 [24,26]
6 * Verbascoside 6.02 C29H35O15 623.2013 623.1618 −0.05 93.73 [24,25]
7 Elenoic acid glucoside 6.31 C17H23O11 403.1262 403.1246 −3.68 80.90 [24,26]
8 Oleuropein aglycon 7.02 C16H25O10 377.1459 377.1453 −1.23 92.94 [24]
9 * Quercitrin 8.85 C21H19O11 447.0960 447.0933 −6.05 89.44 [27]
10 Hydroxyoleuropein 9.82 C25H31O14 555.1773 556.1803 −2.04 97.55 [24,27]
11 * Luteolin 7 glucoside is. 1 10.03 C21H19O11 447.0952 447.0933 −3.93 77.64 [24,25]
12 * Luteolin rutinoside 10.95 C27H29O15 593.1517 593.1512 −0.87 97.79 [24]
13 * Luteolin 7 glucoside is. 2 11.87 C21H19O11 447.0948 447.0933 −3.03 96.13 [24,25,26]
14 * Oleuropein 12.21 C15H9O13 539.1772 539.1770 0.03 97.14 [23,24,25,27]
15 * Luteolin 12.53 C15H9O6 285.0419 285.0405 −4.87 97.08 [23,24,25,27]
16 * Quercetin 13.07 C15H9O7 301.0351 301.0354 1.10 96.04 [24,25]
17 Ligstroside 13.88 C25H31O12 523.1823 523.1821 −0.03 97.55 [26]
18 * Apigenin 7 glucoside 14.31 C15H9O5 269.0461 269.0455 −1.77 98.70 [23]
19 Diosmetin 14.72 C16H11O6 299.0566 299.0561 −1.43 98.50 [23]
20 ** Cyanidin 3 glucoside 15.03 C21H21O11 449.1081 449.1078 0.66 92.21 [28]
21 ** Cyanidin 3 rutinoside 15.82 C27H31O15 595.1658 595.1657 0.16 95.23 [28]

a RT, Retention time; b m/z Exp, mass to charge experimental; c m/z Clc, mass to charge calculated; d Diff., difference between the observed mass and the theoretical mass of the compound (ppm); e Isotopic abundance distribution match: a measure of the probability that the distribution of isotope abundance ratios calculated for the formula matches the measured data; f Ref., References. * Confirmed by authentic chemical standard. ** These peaks were identified in positive ion mode (M−H)+.