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).
|
Sample Information
| ID
|
S1
|
| Title
|
Cucurbita maxima Fruit
|
| Organism - Scientific Name
|
Cucurbita maxima
|
| Organism - ID
|
NCBI Taxonomy:3661
|
| Compound - ID
|
|
| Compound - Source
|
|
| Preparation
|
|
| Sample Preparation Details ID
|
|
| Comment
|
|
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
|
|
Data Analysis Information
| ID
|
D1
|
| Title
|
Auto peak detection by PowerGetBatch
|
| Data Analysis Details ID
|
DS1
|
| Recommended decimal places of m/z
|
|
| Comment
|
|
Data Analysis Details Information
| ID
|
DS1
|
| Title
|
Auto peak detection by PowerGetBatch
|
| Description
|
|
| Comment_of_details
|
|
