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Replica Mass Spectra of Valine (1TMS)
| replica | lib entry date | detection | method | species |
| 1 | 22 February 2005 | MS-TOF | M[STR] | |
| 9 | 05 June 2013 | | MRI_2013 | |
| 6 | 03 November 2010 | | Schomburg_GC_2010 | |
| 2 | 12 May 2005 | | M[NIST] | |
| 7 | 30 March 2011 | | Fiehn_GC_2010 | |
| 8 | 28 August 2012 | | MassBank GC 2010 Tsujimoto | |
| 4 | 19 July 2007 | MS-TOF | VAR5 | Reference Substance |
| 5 | 22 February 2005 | MS-TOF | M[STR] | |
| 8 spectrum(a) |
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Spectrum Details
| analyte | Valine (1TMS) |
| analyte InChI | InChI=1S/C8H19NO2Si/c1-6(2)7(9)8(10)11-12(3,4)5/h6-7H,9H2,1-5H3/t7-/m0/s1 |
| analyte mass | 189.33 |
| chromatogram | NA(_46) |
| citation | Strelkov S, von Elstermann M, Schomburg D (2004) Biological Chemistry 385, 853-861 |
| authors | Strelkov S, University of Cologne, CUBIC - Institute of Biochemistry, Department Prof. Schomburg, Zuelpicher Str. 47, D-50674 Cologne, Germany |
| lib entry date | 22 February 2005 |
| metabolite role | METB |
| retention time (sec) | 679.68 |
| retention index (VAR5 method, n-alkanes C10–C36) | 1,081.4 (predicted, according to Strehmel, N. et.al) |
| base peak (m/z) | 72 |
| maximal intensity | 999 |
| mass-intensity-peaks cardinality | 53 intensities |
| minimal m/z | 39 |
| maximal m/z | 175 |
| download JCAMP DX | SpectrumJcampDx.ashx?id=44d78849-518f-4d7d-9dd1-84c31ddc93eb |
| download MSP | SpectrumMsp.ashx?id=44d78849-518f-4d7d-9dd1-84c31ddc93eb |
GC-Method
| name | M[STR] |
| citation | Strelkov S, von Elstermann M, Schomburg D (2004) Biological Chemistry 385, 853-861 |
| attribute | text | details |
| detector | MS-TOF | |
| ion source | EI | 70eV |
| RI | ALKANE | C10, C12, C15, C19, C22, C28, C32, C36 |
| separation | GC | DB-5MS column (30m x 0.25µm) from J&W Scientific (Folsom, USA) |
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