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Replica Mass Spectra of Kynurenine (2TMS)
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Spectrum Details
analyte | Kynurenine (2TMS) |
analyte InChI | InChI=1S/C16H28N2O3Si2/c1-22(2,3)18-14-10-8-7-9-12(14)15(19)11-13(17)16(20)21-23(4,5)6/h7-10,13,18H,11,17H2,1-6H3/t13-/m0/s1 |
analyte mass | 352.58 |
chromatogram | 6026if_18 |
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) | 1,282.86 |
retention index (VAR5 method, n-alkanes C10–C36) | 2,168.6 (observed) |
base peak (m/z) | 73 |
maximal intensity | 54,568 |
mass-intensity-peaks cardinality | 296 intensities |
minimal m/z | 45 |
maximal m/z | 993 |
download JCAMP DX | SpectrumJcampDx.ashx?id=d1562cbe-c21d-488a-bae6-6f1a5d502ce5 |
download MSP | SpectrumMsp.ashx?id=d1562cbe-c21d-488a-bae6-6f1a5d502ce5 |
GC-Method
name | VAR5 |
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 | OFFSET: "just above noise"; SMOOTHING: 20; PEAK WIDTH: 6; S/N: 2 |
derivatization | MEOX; TMS | METHOXYAMINATION: 90min at 30°C; TRIMETHYLSILYLATION: 30min at 37°C |
detector | MS-TOF | m/z = 70-600; scans:20/s; Pegasus III TOF mass spectrometer |
extraction | water:chloroform | (2:1; v/v) 15min at 70°C |
gas chromatograph | Agilent GC 6890 | |
ion source | EI | 70eV |
mass spectrometry instrument | Pegasus III TOF mass spectrometer | |
metabolic inactivation | shock-frozen in liquid nitrogen | |
RI | ALKANE | C10, C12, C15, C18, C19, C22, C28, C32, C36 |
separation | GC | COLUMN:5%phenyl-95%dimethylpolysiloxane, 30+10m, ID:0.25mm, DF:0.25µm, 5PDM VF-5ms (Varian, Darmstadt, Germany); PROGRAM:iso1min 70°C, ramp 9°C/min, iso 5min 350°C; FLOW:Helium, 0.6mL/min; INJECTION:1µL, splitless, 230°C; TRANSFER:250°C; IONSOURCE:250°C |
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