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Replica Mass Spectra of Pantothenic acid, D- (3TMS)
| replica | lib entry date | detection | method | species |
| 13 | 28 August 2012 | | MassBank GC 2010 Tsujimoto | |
| 2 | 01 August 2002 | MS-Quad | M[2] | Lotus japonicus (Regel) K. Larsen |
| 3 | 12 October 2005 | MS-TRAP | M[BAR] | |
| 4 | 01 October 2001 | MS-TOF | M[EIGTMS] | Saccharomyces cerevisiae |
| 5 | 19 January 2005 | MS-QUAD | M[ROE] | |
| 12 | 28 August 2012 | | MassBank GC 2010 Kusano | |
| 9 | 16 April 2010 | MS-TOF | VAR5 | Reference Substance |
| 15 | 05 June 2013 | | MRI_2013 | |
| 7 | 01 January 2003 | MS-Quad | M[2] | Standard |
| 8 | 26 November 2004 | | M[FAME4090] | Standard |
| 13 spectrum(a) |
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Spectrum Details
| analyte | Pantothenic acid, D- (3TMS) |
| analyte InChI | InChI=1S/C18H41NO5Si3/c1-18(2,14-22-25(3,4)5)16(24-27(9,10)11)17(21)19-13-12-15(20)23-26(6,7)8/h16H,12-14H2,1-11H3,(H,19,21)/t16-/m0/s1 |
| analyte mass | 435.78 |
| 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 | 16 June 2005 |
| metabolite role | METB |
| retention time (sec) | |
| retention index (VAR5 method, n-alkanes C10–C36) | 1,985.87 (predicted, according to Strehmel, N. et.al) |
| base peak (m/z) | 73 |
| maximal intensity | 999 |
| mass-intensity-peaks cardinality | 232 intensities |
| minimal m/z | 45 |
| maximal m/z | 435 |
| download JCAMP DX | SpectrumJcampDx.ashx?id=6d8e5d06-516c-415f-90f3-7189f1e5ebed |
| download MSP | SpectrumMsp.ashx?id=6d8e5d06-516c-415f-90f3-7189f1e5ebed |
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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