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Table 4 Mass spectral characteristics of the formulae responsible for the variance in the FTICR-MS PCA dataset

From: Characterization of terrestrial dissolved organic matter fractionated by pH and polarity and their biological effects on plant growth

Parameter General characteristics of molecular formulae from PCA
  Purple (enriched in filtrate-dominated samples) Green (enriched in retentate-dominated samples) Red (enriched in acid insoluble)
  range average range average range average
O/C 0.40-1.18 0.74 0.18-0.63 0.40 0.06-0.63 0.29
H/C 0.32-1.50 0.90 0.43-1.70 1.10 0.32-2.00 0.99
DBE 4-20 11.2 4-26 14.1 1-26 13.1
DBE/C 0.31-0.89 0.61 0.20-0.82 0.49 0.03-0.89 0.55
m/z 233-683 451 277-699 559 227-665 429
  1. The PCA scores and loadings are given in Figure 6d and 6e, respectively, with the corresponding color-coded van Krevelen plot shown in Figure 6 f.