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Replica Mass Spectra of Orotic acid, 4,5-dihydro- (3TMS)
| replica | lib entry date | detection | method | species |
| 1 | 19 July 2007 | MS-TOF | VAR5 | Reference Substance |
| 6 | 03 November 2010 | | Schomburg_GC_2010 | |
| 7 | 28 August 2012 | | MassBank GC 2010 Tsujimoto | |
| 8 | 28 August 2012 | | MassBank GC 2010 Tsujimoto | |
| 3 | 19 July 2007 | MS-TOF | MDN35 | Reference Substance |
| 4 | 16 December 2003 | MS-Quad | M[2] | Standard |
| 9 | 28 August 2012 | | MassBank GC 2010 Tsujimoto | |
| 5 | 19 July 2007 | MS-TOF | VAR5 | Reference Substance |
| 8 spectrum(a) |
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Spectrum Details
| analyte | Orotic acid, 4,5-dihydro- (3TMS) |
| analyte InChI | InChI=1S/C14H30N2O4Si3/c1-21(2,3)15-11(13(18)20-23(7,8)9)10-12(17)16(14(15)19)22(4,5)6/h11H,10H2,1-9H3/t11-/m0/s1 |
| analyte mass | 374.66 |
| chromatogram | 6018hf_29 |
| 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 | METB |
| retention time (sec) | 603.48 |
| retention index (VAR5 method, n-alkanes C10–C36) | |
| base peak (m/z) | 73 |
| maximal intensity | 1,255,468 |
| mass-intensity-peaks cardinality | 498 intensities |
| minimal m/z | 45 |
| maximal m/z | 1,000 |
| download JCAMP DX | SpectrumJcampDx.ashx?id=caad1528-8596-47b8-876b-3f2a712e9c9a |
| download MSP | SpectrumMsp.ashx?id=caad1528-8596-47b8-876b-3f2a712e9c9a |
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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