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Replica Mass Spectra of Isocitric acid (4TMS)
| replica | lib entry date | detection | method | species |
| 25 | 28 August 2012 | | MassBank GC 2010 Kusano | |
| 1 | 11 September 2005 | | M[FAME4090] | Standard |
| 2 | 19 January 2005 | MS-QUAD | M[ROE] | |
| 27 | 28 August 2012 | | MassBank GC 2010 Ara | |
| 3 | 19 July 2007 | MS-TOF | MDN35 | Reference Substance |
| 26 | 28 August 2012 | | MassBank GC 2010 Tsujimoto | |
| 29 | 05 June 2013 | | MRI_2013 | |
| 6 | 01 October 2001 | MS-TOF | M[EIGTMS] | Standard |
| 8 | 12 May 2005 | | M[NIST] | |
| 10 | 12 October 2005 | MS-TRAP | M[BAR] | |
| 25 spectrum(a) |
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Spectrum Details
| analyte | Isocitric acid (4TMS) |
| analyte InChI | InChI=1S/C18H40O7Si4/c1-26(2,3)22-15(19)13-14(17(20)24-28(7,8)9)16(23-27(4,5)6)18(21)25-29(10,11)12/h14,16H,13H2,1-12H3 |
| analyte mass | 480.85 |
| 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-METB |
| retention time (sec) | |
| retention index (VAR5 method, n-alkanes C10–C36) | 1,805.92 (predicted, according to Strehmel, N. et.al) |
| base peak (m/z) | 73 |
| maximal intensity | 999 |
| mass-intensity-peaks cardinality | 197 intensities |
| minimal m/z | 45 |
| maximal m/z | 482 |
| download JCAMP DX | SpectrumJcampDx.ashx?id=2836ee50-2cdd-4ee0-b2d2-83781a9c499e |
| download MSP | SpectrumMsp.ashx?id=2836ee50-2cdd-4ee0-b2d2-83781a9c499e |
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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