Systematic HPLC/ESI-High Resolution-qTOF-MS Methodology for Metabolomic Studies in Nonfluorescent Chlorophyll Catabolites Pathway

Table 2

Nonfluorescent chlorophyll catabolites composition in lemon fruit peels (Citrus limon L.) determined by HPLC/ESI-IT/high resolution qTOF-MS.

Compound	Peak; number	(min)	Time-of-flight					Ion trap
			Error (ppm)	mSigma	Molecular formula	MW. calc.	MW. meas.	Product ions (m/z)
Cl-NCC1	1	31.6	3.4	18.3	C41H52N4O15	841.3502	841.3473	809 [M-CH3OH+H]^+; 684 [M-ring A+H]^+; 679 [M-glucopyranosil+H]^+
Cl-NCC2	2	39.5	3.1	8.3	C35H42N4O10	679.2974	679.2953	647 [M-CH3OH+H]^+; 591; 522 [M-ring A+H]^+
Cl-NCC3	3	51.6	2.5	45.1	C34H40N4O9	649.2868	649.2852	631 [M-H2O+H]^+; 492 [M-ring A+H]^+
Cl-NCC4	4	57.8	4.0	16.7	C41H50N4O13	807.3447	807.3415	684 [M-ring A+H]^+; 645 [M-C6H10O5+H]^+; 613 [M-C7H14O6+H]^+; 490 [M-ring A-C7H14O6+H]^+

See Scheme 2.