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Lactose (1MEOX) (8TMS) MP

 

Replica Mass Spectra of Lactose (1MEOX) (8TMS) MP

replicalib entry datedetectionmethodspecies
122 February 2005 MS-TOFM[STR] 
201 January 2003 MS-QuadM[2]Standard
1628 August 2012  MassBank GC 2010 Tsujimoto 
312 May 2005  M[NIST] 
1828 August 2012  MassBank GC 2010 Ara 
519 July 2007 MS-TOFMDN35Reference Substance
1728 August 2012  MassBank GC 2010 Tsujimoto 
622 January 2005 MS-QUADM[ROE] 
719 July 2007 MS-TOFVAR5Reference Substance
801 May 2001 MS-TOFM[EIGTMS]Nicotiana tabacum
18 spectrum(a)
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Spectrum Details

analyteLactose (1MEOX) (8TMS) MP
analyte InChIInChI=1S/C37H89NO11Si8/c1-39-38-26-29(44-52(8,9)10)33(46-54(14,15)16)32(31(45-53(11,12)13)28-41-51(5,6)7)43-37-36(49-57(23,24)25)35(48-56(20,21)22)34(47-55(17,18)19)30(42-37)27-40-50(2,3)4/h26,29-37H,27-28H2,1-25H3/b38-26+
analyte mass948.79
chromatogram1344EC76
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 November 2001
metabolite roleMETB
retention time (sec) 
retention index (VAR5 method, n-alkanes C10–C36)2,681.58 (predicted, according to Strehmel, N. et.al)
base peak (m/z)73
maximal intensity999
mass-intensity-peaks cardinality205 intensities
minimal m/z70
maximal m/z482
download JCAMP DXSpectrumJcampDx.ashx?id=52c61f3f-b095-4712-958f-524ce8c4bbe9
download MSPSpectrumMsp.ashx?id=52c61f3f-b095-4712-958f-524ce8c4bbe9

GC-Method

nameM[EIGTMS]
citationWagner C, Sefkow M, Kopka J (2003) Phytochemistry 62, 887-900
attributetextdetails
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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