. 2014 Aug 3;11(3):503–517. doi: 10.1007/s11306-014-0713-3

Table 1.

Distribution of putatively annotated peaks according to the time points (negative mode, 100–1,000 m/z)

Feature summary	R. rubrum (min)		B. subtilis (min)
Feature summary	10	20	2	5	15
No. of features	2,294	4,205	4,963	4,416	4,322
Invalid RT (e.g. 120 s ≤ RT ≤ 2,030 s)	646	1,565	1,035	989	1,047
No. of artifact features (e.g., adducts and multimers)	82	126	207	168	154
No. of non-biological signals (i.e., mass distribution filter)	145 (6.3 %)^a	347 (8.3 %)^a	704 (14.2 %)^a	672 (15.2 %)^a	620 (14.3 %)^a
No. of isotopes	339	434	455	387	368
Total no. of eliminated features	1,212	2,472	2,401	2,216	2,189
No. of refined features for further analysis	1,082 (47.1 %)^a	1,733 (41.2 %)^a	2,562 (48.4 %)^a	2,200 (49.8 %)^a	2,133 (49.4 %)^a
No. of predicted molecular formulas	270 (11.8 %)^a	366 (8.7 %)^a	252 (5.1 %)^a	240 (5.4 %)^a	225 (5.2 %)^a

^aThe figures are expressed as a percentage of all initially detected features