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Replica Mass Spectra of Phenylglycol, 3,4-dihydroxy- (4TMS)
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Spectrum Details
analyte | Phenylglycol, 3,4-dihydroxy- (4TMS) |
analyte InChI | |
analyte mass | 458.89 |
chromatogram | 6066hf_36 |
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) | 592.91 |
retention index (VAR5 method, n-alkanes C10–C36) | |
base peak (m/z) | 73 |
maximal intensity | 1,204,101 |
mass-intensity-peaks cardinality | 381 intensities |
minimal m/z | 70 |
maximal m/z | 600 |
download JCAMP DX | SpectrumJcampDx.ashx?id=d0ce4f39-8cbf-40a0-9e2c-099fed8283c1 |
download MSP | SpectrumMsp.ashx?id=d0ce4f39-8cbf-40a0-9e2c-099fed8283c1 |
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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