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Replica Mass Spectra of Raffinose (11TMS)
| replica | lib entry date | detection | method | species |
| 15 | 22 January 2010 | MS-TOF | VAR5 | |
| 1 | 01 May 2001 | MS-TOF | M[EIGTMS] | Standard Addition |
| 17 | 22 January 2010 | MS-TOF | VAR5 | |
| 2 | 26 November 2004 | | M[FAME4090] | Standard |
| 3 | 01 August 2002 | MS-Quad | M[2] | Lotus japonicus (Regel) K. Larsen |
| 5 | 01 August 2001 | MS-Quad | M[2] | Standard |
| 6 | 12 June 2003 | MS-Quad | M[2] | Arabidopsis thaliana |
| 8 | 11 September 2005 | | M[FAME4090] | Standard |
| 9 | 11 September 2005 | | M[FAME4090] | Standard |
| 20 | 28 August 2012 | | MassBank GC 2010 Tsujimoto | |
| 18 spectrum(a) |
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Spectrum Details
| analyte | Raffinose (11TMS) |
| analyte InChI | InChI=1S/C51H120O16Si11/c1-68(2,3)53-35-39-42(61-72(13,14)15)44(63-74(19,20)21)46(65-76(25,26)27)49(56-39)52-34-38-41(60-71(10,11)12)45(64-75(22,23)24)47(66-77(28,29)30)50(57-38)59-51(37-55-70(7,8)9)48(67-78(31,32)33)43(62-73(16,17)18)40(58-51)36-54-69(4,5)6/h38-50H,34-37H2,1-33H3 |
| analyte mass | 1,298.43 |
| 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) | |
| retention index (VAR5 method, n-alkanes C10–C36) | 3,371.47 (predicted, according to Strehmel, N. et.al) |
| base peak (m/z) | 361 |
| maximal intensity | 999 |
| mass-intensity-peaks cardinality | 201 intensities |
| minimal m/z | 43 |
| maximal m/z | 481 |
| download JCAMP DX | SpectrumJcampDx.ashx?id=af87232b-853e-45b8-8d69-729e1247f0c2 |
| download MSP | SpectrumMsp.ashx?id=af87232b-853e-45b8-8d69-729e1247f0c2 |
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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