SE67:/MS2

Sample Set Information

ID	SE67
Title	Analysis of boiled squash
Description	Raw and boiled squash (Cucurbita maxima) were analyzed by LC-Orbitrap-MS
Authors	Takeshi Ara, Daisuke Shibata, Nozomu Sakurai, Koei Okazaki, Daisuke Nakajima, Lab. Genome Biotech, Kazusa DNA Research Institute, Japan; Center for Development of Biotech Industries, Kazusa DNA Research Institute, Japan
Reference	Direct submission
Comment	NS deposited the metadata, most of which were retrieved from MassBase. For more detailed information, please contact the authors directly or via NS (email: metabolonote [at] kazusa.or.jp).

Analytical Method Details Information

ID	MS2
Title	LC-Orbitrap-MS, ESI Positive analysis
Instrument	LC-Orbitrap-MS; [Agilent 1200 LC (Agilent Technologies); Finnigan LTQ-Orbitrap XL (Thermo Fisher Scientific K.K.)]
Instrument Type	LC-Orbitrap-MS
Ionization	ESI
Ion Mode	Positive
Description	20uL sample is injected into HPLC after 0.2um membrane filter treatment. HPLC conditions: Agilent 1100 series (Agilent), Column: TSKgel ODS-100V (4.6 x 250 mm; TOSOH), Solvent: A; 0.1% formic acid aq. B; ACN (addition 0.1% formic acid), 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). Orbitrap-MS conditions: Filter 1: FTMS + c norm !corona !pi res=60000 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)., Rejected mass=144.98000, 146.98000, 158.00000, 171.15000, 195.09000, 202.13000.
Comment_of_details