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. 2014 Mar 12;9(3):e91488. doi: 10.1371/journal.pone.0091488

Table 1. Identification of six compounds from S. arenicola and S. pacifica.

Molecular Formula Overall Score* Mass** Polarity RT (min) Difference (MFG, ppm) Compound identification*** Example species
C37H45NO12 99.35 695.2937 Negative 21.36 0.68 Rifamycin S S. arenicola
C22H37NO6 94.91 411.2628 Positive 8.12 3.13 Saliniketal B S. arenicola
C22H37NO5 93.72 395.2661 Positive 10.61 2.72 Saliniketal A S. arenicola
C39H49NO14 91.34 754.3092 Negative 12.20 0.52 Rifamycin B S. arenicola
C23H31N3O3 79.43 397.2365 Positive 9.91 2.12 Cyclomarazine A S. arenicola
C17H24O4 61.87 292.1675 Positive 7.87 3.45 Salinipyrone A S. pacifica

The proposed formula obtained after the PCA and OPLS-DA analysis according to high-resolution LC-QTOF-MS measurements.

*Overall sc°re calculated from the empirical formula match with the database search. **Neutral mass calculated for each compound.

***Compound identification performed through the in-house accurate mass database match, MS/MS fragmentation and reference standards.