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Replica Mass Spectra of Adenosine, alpha- (4TMS) MP
replica | lib entry date | detection | method | species |
16 | 28 August 2012 | | MassBank GC 2010 Ara | |
1 | 01 November 2001 | MS-TOF | M[EIGTMS] | Standard |
15 | 28 August 2012 | | MassBank GC 2010 Tsujimoto | |
14 | 28 August 2012 | | MassBank GC 2010 Kusano | |
7 | 15 December 2003 | MS-Quad | M[2] | Standard Addition |
2 | 19 July 2007 | MS-TOF | VAR5 | Reference Substance |
3 | 19 July 2007 | MS-TOF | MDN35 | Reference Substance |
4 | 01 February 2005 | MS-TOF | M[6] | Reference Substance |
8 | 12 May 2005 | | M[NIST] | |
9 | 01 May 2001 | MS-TOF | M[EIGTMS] | Saccharomyces cerevisiae |
15 spectrum(a) |
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Spectrum Details
analyte | Adenosine, alpha- (4TMS) MP |
analyte InChI | InChI=1S/C22H45N5O4Si4/c1-32(2,3)26-20-17-21(24-14-23-20)27(15-25-17)22-19(31-35(10,11)12)18(30-34(7,8)9)16(29-22)13-28-33(4,5)6/h14-16,18-19,22H,13H2,1-12H3,(H,23,24,26)/t16-,18-,19-,22+/m1/s1 |
analyte mass | 555.97 |
chromatogram | NA(_27) |
citation | Barsch A, Patschkowski T, Niehaus K (2004) Funct Integrat Genomics 4, 219-230 |
authors | Barsch A, Puehse M, Persicke M, Bielefeld University, Department of Molecular Phytopathology (Prof. Niehaus K), D-33501 Bielefeld, Germany |
lib entry date | 12 October 2005 |
metabolite role | METB |
retention time (sec) | 2,637.6 |
retention index (VAR5 method, n-alkanes C10–C36) | 2,672.43 (predicted, according to Strehmel, N. et.al) |
base peak (m/z) | 236 |
maximal intensity | 999 |
mass-intensity-peaks cardinality | 169 intensities |
minimal m/z | 51 |
maximal m/z | 543 |
download JCAMP DX | SpectrumJcampDx.ashx?id=c546a666-1780-41ed-b243-26ad40ce8eeb |
download MSP | SpectrumMsp.ashx?id=c546a666-1780-41ed-b243-26ad40ce8eeb |
GC-Method
name | M[BAR] |
citation | Barsch A, Patschkowski T, Niehaus K (2004) Funct Integrat Genomics 4, 219-230 |
attribute | text | details |
deconvolution | AMDIS, National Institute of Standards and Technology, Gaithersburg, MD, USA | |
derivatization | MEOX; TMS | Methoxyamination:90min37°C; Trimethylsilylation:30min37°C |
detector | MS-TRAP | MZ:50-550; SCANS:2/s; PolarisQ; Thermo-Finnigan, Dreieich, Germany |
extraction | methanol:water (4:1; v/v); 70°C | |
ion source | EI | 70eV |
metabolic inactivation | filtration; liquid nitrogen; lyophilization | |
partitioning | none | |
RI | ALKANE | C12, C15, C18, C19, C22, C28, C32, C36 |
separation | GC | COLUMN:5%diphenyl-95%dimethylpolysiloxane, 30m, ID:0.25mm, DF:0.25microm, EQUITY-5, #NA (Supelco, Bellfonte, CA, USA); PROGRAM:iso3min80°C, ramp3°C/min, iso1min300°C; FLOW:Helium, 0.6ml/min; INJECTION:1microL, splitless, 250°C; TRANSFER:250°C; IONSOURCE:200°C |
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