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Ascorbic acid (4TMS)

 

Replica Mass Spectra of Ascorbic acid (4TMS)

replicalib entry datedetectionmethodspecies
112 May 2005  M[NIST] 
212 June 2003 MS-QuadM[2]Arabidopsis thaliana
312 May 2005  M[NIST] 
1403 November 2010  Schomburg_GC_2010 
1628 August 2012  MassBank GC 2010 Tsujimoto 
501 December 2003 MS-QuadM[2]Standard Addition
601 May 2001 MS-TOFM[EIGTMS]Standard Addition
1319 March 2010 MS-TOFVAR5Arabidopsis Thaliana
719 July 2007 MS-TOFVAR5Reference Substance
801 May 2001 MS-TOFM[EIGTMS]Standard Addition
15 spectrum(a)
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Spectrum Details

analyteAscorbic acid (4TMS)
analyte InChIInChI=1S/C18H40O6Si4/c1-25(2,3)20-13-14(22-26(4,5)6)15-16(23-27(7,8)9)17(18(19)21-15)24-28(10,11)12/h14-15H,13H2,1-12H3/t14-,15+/m0/s1
analyte mass464.85
chromatogram6018hf_4
citation 
authorsBoelling C, Liebig F, Erban A, Kopka J, Max Planck Institute of Molecular Plant Physiology, Department of Molecular Plant Physiology (Prof. Willmitzer L), Am Muehlenberg 1, D-14476 Golm, Germany
lib entry date19 July 2007
metabolite roleMETB
retention time (sec)637.82
retention index (VAR5 method, n-alkanes C10–C36) 
base peak (m/z)73
maximal intensity2,226,044
mass-intensity-peaks cardinality527 intensities
minimal m/z45
maximal m/z1,000
download JCAMP DXSpectrumJcampDx.ashx?id=d1513edc-db22-4a88-bc10-49baa213cd1f
download MSPSpectrumMsp.ashx?id=d1513edc-db22-4a88-bc10-49baa213cd1f

GC-Method

nameMDN35
citationKopka J, Max Planck Institute of Molecular Plant Physiology, Department of Molecular Plant Physiology (Prof. Willmitzer L), Am Muehlenberg 1, D-14476 Golm, Germany
attributetextdetails
deconvolutionChromaTOFBASELINE OFFSET: 1; SMOOTHING: 5; PEAK WIDTH: 3s; S/N: 10
derivatizationMEOX; MSTFAMETHOXYAMINATION: 120min at 37°C; TRIMETHYLSILYLATION: 30min at 37°C
detectorMS-TOFm/z = 70-600; scans:20/s;
extractionchloroform:dH2O (2:1; v/v); chloroform (20°C); dH2O (4°C)
ion sourceEI70eV
RIFAME, d6-CholesteroleFAME: C8, C9, C10, C12, C14, C16, C18, C20, C22, C24, C26, C28, C30
separationGCCOLUMN:35%phenyl-65%dimethylpolysiloxane, 30m, ID:0.32mm, DF:0.25µm, MDN-35 (Macherey-Nagel, Düren, Germany); PROGRAM:iso 2min 80°C, ramp 15°C/min, iso 6min 330°C; FLOW:Helium, 2mL/min; INJECTION:1µL, splitless, 230°C; TRANSFER:250°C; IONSOURCE:250°C

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