SE39:/MS1

Sample Set Information

ID	SE39
Title	Comparison of flower metabolites among Cosmos bipinnatus varieties
Description	Investigation of Cosmos bipinnatus Flower metabolites. 4 colors and 3 replicates data are examined.
Authors	Takeshi Ara, Daisuke Nakajima, Mitsuo Enomoto, Nozomu Sakurai, Hideyuki Suzuki, Koei Okazaki, Daisuke Shibata, Kazusa DNA Research Institute
Reference	Direct Submittion
Comment

Analytical Method Details Information

ID	MS1
Title	LC-FT-ICR-MS ESI positive method
Instrument	Agilent1100 HPLC (Agilent), LTQ-FT (Thermo Fisher Scientific)
Instrument Type	LC-FTICR-MS
Ionization	ESI
Ion Mode	Positive
Description	Sample is frozen by liquid N2 and resulting powder (100mg) are solved in 300uL 80% methanol solution. 20uL sample is injected into HPLC after 0.2um membrane filter treatment. HPLC conditions: Agilent 1100 series (Agilent), Column: TSKgel-100Z (4.6 x 250 mm, 5 micrometer; TOSOH), Solvent: A; 0.1% formic acid aq. B; ACN (addition 0.1% formic acid fc.), Gradient: (B);3 to 97% (0.0 to 45.0 min), 97% (45.1 to 50.0 min), 3% (50.1 to 57.0 min), Column temp.: 40 degree C, Flow rate=0.5mL/min, PDA: 200-650 nm (2 nm step). FT-ICR-MS conditions: Filter 1: FTMS + c norm !corona !pi res=100000 o(100.0-1500.0); 2: ITMS + c norm !corona !pi Dep MS/MS Most intense ion from (1), 3: ITMS + c norm !corona !pi Dep MS/MS 2nd most intense ion from (1), 4: ITMS + c norm !corona !pi Dep MS/MS 3rd most intense ion from (1), 5: ITMS + c norm !corona !pi Dep MS/MS 4th most intense ion from (1), 6: ITMS + c norm !corona !pi Dep MS/MS 5th most intense ion from (1). Reject Mass List:235.2000, 236.2000, 376.0000, 377.0000, 609.3000, 610.3000, 810.4000, 811.4000, 1123.7000, 1124.7000.
Comment_of_details