NMR analyses were performed as follows: For
1H spectra, an
Avance I 500 (UltraShield 500 MHz, SEI 500 S2 probe head (5 mm, inverse with Z-gradient),
Autosampler B-ACS 60) from Bruker Instruments (Karlsruhe, Germany) was used. The software installed was
TopSpin 2.1 (Bruker Instruments, Karlsruhe, Germany). For
13C spectra, either an
Avance I 500 (Cryomagnet BZH 500 MHz,
Autosampler B-ACS 60) or an
Advance III 500 system with an UltraShield PLUS 500 MHz magnet and a cryo probe head (5 mm CPQNP,
1H/
13C/
31P/
19F/
29Si (Z-gradient), Autosampler B-ACS 120) both from Bruker Instruments (Karlsruhe, Germany) were used. The software installed was
TopSpin 3.0, respectively (Bruker Instruments, Karlsruhe, Germany). The measurements were performed at magnetic fields of 11.75 Tesla. The resonance frequencies of
1H and
13C were 500.13 MHz and 125.77 MHz, respectively, and the temperature was 300 K. Data analysis was performed with the
MestReNova Software (Mestrelab Research, Santiago de Compostela, Spain), TOPSPIN or XWIN NMR. The one-dimensional
1H and
13C NMR spectra, and the two-dimensional COSY (magnitude mode or phase-sensitive), HSQC, HSQC-DEPTedited, HSQC-TOCSY, NOESY (with 1 s mixing), TOCSY (with 60 ms mixing) and HMBC spectra were measured with standard Bruker parameter sets.
Mendoza-Poudereux I., Kutzner E., Huber C., Segura J., Arrillaga I, & Eisenreich W. (2017). Dynamics of Monoterpene Formation in Spike Lavender Plants. Metabolites, 7(4), 65.