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Spectrum Details
analyte | NA |
analyte InChI | |
analyte mass | 442 |
chromatogram | 1313EC07 |
citation | Wagner C, Sefkow M, Kopka J (2003) Phytochemistry 62, 887-900 |
authors | 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 | 01 October 2001 |
metabolite role | IS (QUAN) |
retention time (sec) | 668.16 |
retention index (VAR5 method, n-alkanes C10–C36) | 1,790.5 (predicted, according to Strehmel, N. et.al) |
base peak (m/z) | 73 |
maximal intensity | 999 |
mass-intensity-peaks cardinality | 125 intensities |
minimal m/z | 70 |
maximal m/z | 445 |
download JCAMP DX | SpectrumJcampDx.ashx?id=9051744c-61f3-49ce-bfce-6319c19c3a21 |
download MSP | SpectrumMsp.ashx?id=9051744c-61f3-49ce-bfce-6319c19c3a21 |
GC-Method
name | M[EIGTMS] |
citation | Wagner C, Sefkow M, Kopka J (2003) Phytochemistry 62, 887-900 |
attribute | text | details |
deconvolution | AMDIS, National Institute of Standards and Technology, Gaithersburg, MD, USA | DIRECTION:non scanning; WIDTH: 20; SUBTRACTION: two; RESOLUTION: high; SENSITIVITY: medium; SHAPE: high |
derivatization | MEOX; TMS | Methoxyamination:60min37°C; Trimethylsilylation:>60min37°C |
detector | MS-TOF | MZ:70-600; SCANS:6/s; Pegasus II TOF-MS; LECO, St. Joseph, MI, USA |
extraction | methanol:water (4:1; v/v); 15min70°C | |
ion source | EI | 70eV |
metabolic inactivation | cut; liquid nitrogen; -80°C | |
partitioning | methanol fraction of a methanol:water:chloroform (approx. 2:2:1, v/v/v) partitioning | |
RI | ALKANE | C12, C15, C19, C22, C28, C32, C36 |
separation | GC | COLUMN:5%diphenyl-95%dimethylpolysiloxane (arylene), 30+10m, ID:0.25mm, DF:0.25microm, Rtx-5SilMS Integra-Guard, #NA (Restek, Bad Homburg, Germany); PROGRAM:iso2min80°C, ramp15°C/min, iso2min350°C; FLOW:Helium, 1.0ml/min; INJECTION:1microL, splitless, 230°C, 2min110psi; TRANSFER:250°C; IONSOURCE:200°C |
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