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Stigmastan-3-ol, (3-beta)- (1TMS)

 

Replica Mass Spectra of Stigmastan-3-ol, (3-beta)- (1TMS)

replicalib entry datedetectionmethodspecies
101 January 2002 MS-TOFM[EIGTMS]Reference Substance
201 May 2003 MS-QuadM[2]Newbouldia laevis (P. Beauv.) Seem. ex Bureau
301 June 2003 MS-QuadM[2]Markhamia acuminata
412 May 2005  M[NIST] 
4 spectrum(a)
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Spectrum Details

analyteStigmastan-3-ol, (3-beta)- (1TMS)
analyte InChIInChI=1S/C32H60OSi/c1-10-24(22(2)3)12-11-23(4)28-15-16-29-27-14-13-25-21-26(33-34(7,8)9)17-19-31(25,5)30(27)18-20-32(28,29)6/h22-30H,10-21H2,1-9H3/t23-,24?,25?,26+,27+,28?,29+,30+,31+,32-/m1/s1
analyte mass488.9
chromatogram3035BB14
citationSchauer N, Steinhauser D, Strelkov S, Schomburg D, Allison G, Moritz T, Lundgren K, Roessner-Tunali U, Forbes MG, Willmitzer L, Fernie AR, Kopka J (2005) FEBS Letters 579, 1332-1337
authorsKopka 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 date01 January 2003
metabolite roleMETB
retention time (sec)2,829.48
retention index (VAR5 method, n-alkanes C10–C36)3,365.84 (predicted, according to Strehmel, N. et.al)
base peak (m/z)75
maximal intensity999
mass-intensity-peaks cardinality261 intensities
minimal m/z41
maximal m/z491
download JCAMP DXSpectrumJcampDx.ashx?id=018a51e3-5342-45b3-ac18-e7fc63b5bded
download MSPSpectrumMsp.ashx?id=018a51e3-5342-45b3-ac18-e7fc63b5bded

GC-Method

nameM[2]
citationRoessner U, Wagner C, Kopka J, Trethewey RN, Willmitzer L (2000) Plant J 23, 131-142
attributetextdetails
deconvolutionAMDIS, National Institute of Standards and Technology, Gaithersburg, MD, USADIRECTION:Low to High; WIDTH: 20; SUBTRACTION: two; RESOLUTION: low; SENSITIVITY: low; SHAPE: low
derivatizationMEOX; TMSMethoxyamination:60min37°C; Trimethylsilylation:>45min37°C
detectorMS-Quadm/z = 35-600; scans:2/s; MD 800 Thermo-Finnigan, San Jose, CA, USA
extractionmethanol:water (4:1; v/v); 15min70°C 
ion sourceEI70eV
metabolic inactivationcut; liquid nitrogen; -80°C 
partitioningmethanol fraction of a methanol:water:chloroform (approx. 2:2:1, v/v/v) partitioning 
RIALKANEC12, C15, C19, C22, C28, C32, C36
separationGCCOLUMN:5%diphenyl-95%dimethylpolysiloxane (arylene), 30+10m, ID:0.25mm, DF:0.25microm, Rtx-5SilMS Integra-Guard, #NA (Restek, Bad Homburg, Germany); PROGRAM:iso1min70°C, ramp9°C/min, iso5min350°C; FLOW:Helium, 0.6ml/min; INJECTION:1microL, splitless, 230°C; TRANSFER:250°C; IONSOURCE:250°C

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