Analytical methods for Challenge8
(Updated on September 13, 2013)

Sample: The compound was isolated from hops, Humulus lupulus. The molecular formula of the [M+H]+ ion was C45H39O20.

Instrument: Xevo QTOF (Waters)
Ionization: ESI, positive ion mode
Capillary voltage: 0.5 kV, positive
Nebulizer gas: Nitrogen 300 C
Scan: m/z100 to m/z3000
CID condition: 20 V
Precision on m/z: 12 ppm or better

LC column: Waters InertSustain C18 (250 x 4.6 mm) 
Solvents: Acetonitrile (0.1% formate)
Flow rate: 0.5 mL/min
Detection: UV 280 nm
Retention time: 13.18 min