SE44:/S03/M06
From Metabolonote
Sample Set Information
| ID | SE44 |
|---|---|
| Title | Physcomitrella patens metabolite analysis using stable isotopes |
| Description | Metabolites in the Physcomitrella patens are investigated by using stable isotope labelings. This analysis was performed to estimate the elemental composition with high reliability using the number of stable isotopes incorporated in the compound as an index and to add information to discuss the biosynthetic pathway. The Physcomitrella patens were labeled with 13C, 15N, 18O, and 34S, respectively in the same condition. Following peak picking by using PowerGet, the metabolite list was prepared from unlabeled data and blank data. The isotopic peaks were searched and listed using ShiftedIonsFinder. Moreover, the flavonoid-like peaks were also searched using ShiftedIonsFinder. |
| Authors | Yasuhide Hiraga 1,2, Takeshi Ara 1, Yoshiki Nagashima 1, Nozomu Sakurai 1, Hideyuki Suzuki 1,2, Kota Kera 1,3; 1:Kazusa DNA Research Institute, Japan, 2:Hirata Corporation, Japan, 3:Faculty of Applied Bioscience, Tokyo University of Agriculture, Japan |
| Reference | Hiraga Y, et al, (2020) Plant Biotechnology, 37(3), 377-381. |
| Comment |
Sample Information
| ID | S03 |
|---|---|
| Title | Blank (80% methanol) |
| Organism - Scientific Name | |
| Organism - ID | |
| Compound - ID | |
| Compound - Source | |
| Preparation | 80% methanol was prepared from methanol (Optima LC/MS, Fisher Chemical) and water (Optima LC/MS, Fisher Chemical). |
| Sample Preparation Details ID | |
| Comment |
Analytical Method Information
| ID | M06 |
|---|---|
| Title | LC-Orbitrap-MS, ESI Positive analysis |
| Method Details ID | MS2 |
| Sample Amount | 1.7 mg |
| Comment | [MassBase ID] MDLC1_40774 |
The raw (binary) and near-raw (text) files of this analysis are available at MassBase.
Analytical Method Details Information
| ID | MS2 |
|---|---|
| Title | LC-Orbitrap-MS ESI positive method 2 |
| Instrument | Agilent1200 HPLC (Agilent), LTQ-Orbitrap (Thermo Fisher Scientific) |
| Instrument Type | LC-Orbitrap-MS |
| Ionization | ESI |
| Ion Mode | Positive |
| Description | Harvested sample is frozen by liquid N2 and resulting powder (100mg) are solved in 300uL 80% methanol solution. 5uL sample is injected into HPLC after 0.2um membrane filter treatment. HPLC conditions: Agilent 1200 series (Agilent), Column: TSKgel ODS-100V (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% for 45 min, 97% for 5 min and 97 to 3% for 7 min, Column temp.: 40 degree C, Flow rate=0.5mL/min, PDA: 190-950 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). Reject Mass List:141.95862, 154.11863, 158.00286, 158.96133, 171.14920, 182.98518, 186.95629, 195.08766, 232.98007, 235.15326, 235.18047, 249.20608, 262.17214, 391.28446, 436.34244. |
| Comment_of_details | 20130407_Standerd_ESp.meth |
