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


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

replicalib entry datedetectionmethodspecies
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] 
501 January 2003 MS-QuadM[2]Standard
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
citationWagner C, Sefkow M, Kopka J (2003) Phytochemistry 62, 887-900
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 2002
metabolite roleMETB
retention time (sec) 
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 cardinality392 intensities
minimal m/z70
maximal m/z565
download JCAMP DXSpectrumJcampDx.ashx?id=4177769b-1d6b-4231-9773-5d8caa65fc0e
download MSPSpectrumMsp.ashx?id=4177769b-1d6b-4231-9773-5d8caa65fc0e


citationWagner C, Sefkow M, Kopka J (2003) Phytochemistry 62, 887-900
deconvolutionAMDIS, National Institute of Standards and Technology, Gaithersburg, MD, USADIRECTION:non scanning; WIDTH: 20; SUBTRACTION: two; RESOLUTION: high; SENSITIVITY: medium; SHAPE: high
derivatizationMEOX; TMSMethoxyamination:60min37°C; Trimethylsilylation:>60min37°C
detectorMS-TOFMZ:70-600; SCANS:6/s; Pegasus II TOF-MS; LECO, St. Joseph, MI, 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:iso2min80°C, ramp15°C/min, iso2min350°C; FLOW:Helium, 1.0ml/min; INJECTION:1microL, splitless, 230°C, 2min110psi; TRANSFER:250°C; IONSOURCE:200°C

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