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Replica Mass Spectra of Thymine (2TMS)
replica | lib entry date | detection | method | species |
20 | 28 August 2012 | | MassBank GC 2010 Tsujimoto | |
22 | 06 September 2012 | MS-TOF | VAR5 | |
23 | 07 September 2012 | MS-TOF | VAR5 | |
1 | 26 November 2004 | | M[FAME4090] | Standard |
19 | 28 August 2012 | | MassBank GC 2010 Kusano | |
4 | 16 December 2003 | MS-Quad | M[2] | Standard |
5 | 22 February 2005 | MS-TOF | M[STR] | |
6 | 06 October 2004 | MS-Quad | M[2] | Reference Substance |
8 | 12 May 2005 | | M[NIST] | |
18 | 30 March 2011 | | Fiehn_GC_2010 | |
20 spectrum(a) |
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Spectrum Details
analyte | Thymine (2TMS) |
analyte InChI | InChI=1S/C11H22N2O2Si2/c1-9-8-12(16(2,3)4)11(15)13(10(9)14)17(5,6)7/h8H,1-7H3 |
analyte mass | 270.48 |
chromatogram | 12101if_20 |
citation | NA |
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 | 07 September 2012 |
metabolite role | |
retention time (sec) | 726.81 |
retention index (VAR5 method, n-alkanes C10–C36) | 1,396.44 (observed) |
base peak (m/z) | 255 |
maximal intensity | 11,874 |
mass-intensity-peaks cardinality | 198 intensities |
minimal m/z | 70 |
maximal m/z | 588 |
download JCAMP DX | SpectrumJcampDx.ashx?id=1bbc5300-d217-436a-8ba7-02c0e56d0bc4 |
download MSP | SpectrumMsp.ashx?id=1bbc5300-d217-436a-8ba7-02c0e56d0bc4 |
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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