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Replica Mass Spectra of Inosine-5'-monophosphate (5TMS)
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Spectrum Details
| analyte | Inosine-5'-monophosphate (5TMS) |
| analyte InChI | InChI=1S/C25H53N4O8PSi5/c1-39(2,3)33-21-19(16-31-38(30,36-42(10,11)12)37-43(13,14)15)32-25(22(21)34-40(4,5)6)29-18-28-20-23(29)26-17-27-24(20)35-41(7,8)9/h17-19,21-22,25H,16H2,1-15H3/t19-,21-,22-,25-/m1/s1 |
| analyte mass | 709.11 |
| chromatogram | 6066hf_40 |
| citation | |
| authors | Boelling C, Liebig F, Erban A, Kopka J, Max Planck Institute of Molecular Plant Physiology, Department of Molecular Plant Physiology (Prof. Willmitzer L), Am Muehlenberg 1, D-14476 Golm, Germany |
| lib entry date | 19 July 2007 |
| metabolite role | |
| retention time (sec) | 1,010.78 |
| retention index (VAR5 method, n-alkanes C10–C36) | |
| base peak (m/z) | 73 |
| maximal intensity | 529,873 |
| mass-intensity-peaks cardinality | 504 intensities |
| minimal m/z | 70 |
| maximal m/z | 598 |
| download JCAMP DX | SpectrumJcampDx.ashx?id=192a14e8-e660-419a-834a-12fbc433e1e5 |
| download MSP | SpectrumMsp.ashx?id=192a14e8-e660-419a-834a-12fbc433e1e5 |
GC-Method
| name | MDN35 |
| citation | Kopka J, Max Planck Institute of Molecular Plant Physiology, Department of Molecular Plant Physiology (Prof. Willmitzer L), Am Muehlenberg 1, D-14476 Golm, Germany |
| attribute | text | details |
| deconvolution | ChromaTOF | BASELINE OFFSET: 1; SMOOTHING: 5; PEAK WIDTH: 3s; S/N: 10 |
| derivatization | MEOX; MSTFA | METHOXYAMINATION: 120min at 37°C; TRIMETHYLSILYLATION: 30min at 37°C |
| detector | MS-TOF | m/z = 70-600; scans:20/s; |
| extraction | chloroform:dH2O | (2:1; v/v); chloroform (20°C); dH2O (4°C) |
| ion source | EI | 70eV |
| RI | FAME, d6-Cholesterole | FAME: C8, C9, C10, C12, C14, C16, C18, C20, C22, C24, C26, C28, C30 |
| separation | GC | COLUMN:35%phenyl-65%dimethylpolysiloxane, 30m, ID:0.32mm, DF:0.25µm, MDN-35 (Macherey-Nagel, Düren, Germany); PROGRAM:iso 2min 80°C, ramp 15°C/min, iso 6min 330°C; FLOW:Helium, 2mL/min; INJECTION:1µL, splitless, 230°C; TRANSFER:250°C; IONSOURCE:250°C |
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