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
|
|
Sample Information
| ID
|
S03
|
| Title
|
Cosmos bipinnatus Flower (Red color)
|
| Organism - Scientific Name
|
Cosmos bipinnatus
|
| Organism - ID
|
NCBI taxonomy:51277
|
| Compound - ID
|
|
| Compound - Source
|
|
| Preparation
|
Cosmos bipinnatus flowers are harvested at Kisarazu, Chiba, Japan.
|
| Sample Preparation Details ID
|
|
| 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
|
|
Data Analysis Information
| ID
|
D01
|
| Title
|
PowerGet data analysis
|
| Data Analysis Details ID
|
DS1
|
| Recommended decimal places of m/z
|
6|ITMS 2
|
| Comment
|
|
Data Analysis Details Information
| ID
|
DS1
|
| Title
|
PowerGet analysis for detection of all peaks
|
| Description
|
Raw data files are converted to text file by MSGet software without cut off value and peaks are extracted from the text files by PowerFT with parameters (intensity cut off=5000, peak selection filter is default, intensity cut off in peak assignment=1000).
|
| Comment_of_details
|
|
