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Replica Mass Spectra of Neuraminic acid, N-acetyl- (1MEOX) (7TMS) MP
replica | lib entry date | detection | method | species |
1 | 19 July 2007 | MS-TOF | VAR5 | Reference Substance |
5 | 03 November 2010 | | Schomburg_GC_2010 | |
6 | 28 August 2012 | | MassBank GC 2010 Tsujimoto | |
2 | 19 July 2007 | MS-TOF | MDN35 | Reference Substance |
4 | 22 February 2005 | MS-TOF | M[STR] | |
5 spectrum(a) |
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Spectrum Details
analyte | Neuraminic acid, N-acetyl- (1MEOX) (7TMS) MP |
analyte InChI | InChI=1S/C33H78N2O9Si7/c1-26(36)35(45(3,4)5)29-27(40-47(9,10)11)24-33(44-51(21,22)23,32(34-37-2)43-50(18,19)20)39-31(29)30(42-49(15,16)17)28(41-48(12,13)14)25-38-46(6,7)8/h27-31H,24-25H2,1-23H3/b34-32-/t27-,28+,29+,30+,31+,33+/m0/s1 |
analyte mass | 843.58 |
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) | 2,390.94 |
retention index (VAR5 method, n-alkanes C10–C36) | 2,666.49 (predicted, according to Strehmel, N. et.al) |
base peak (m/z) | 73 |
maximal intensity | 999 |
mass-intensity-peaks cardinality | 335 intensities |
minimal m/z | 43 |
maximal m/z | 564 |
download JCAMP DX | SpectrumJcampDx.ashx?id=dc5d39ce-682f-4b50-ae89-baca9c9eab93 |
download MSP | SpectrumMsp.ashx?id=dc5d39ce-682f-4b50-ae89-baca9c9eab93 |
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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