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Coniferylalcohol, trans- (2TMS)

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Replica Mass Spectra of Coniferylalcohol, trans- (2TMS)

replica	lib entry date	detection	method	species
1	19 July 2007	MS-TOF	VAR5	Reference Substance
2	01 March 2002	MS-Quad	M[2]	Standard
3	27 October 2003	MS-Quad	M[2]	Standard
9	28 August 2012		MassBank GC 2010 Tsujimoto
8	30 March 2011		Fiehn_GC_2010
5	01 May 2001	MS-TOF	M[EIGTMS]	Standard Addition
6	25 January 2005	MS-TOF	M[MOR]
7	01 February 2005	MS-TOF	M[6]	Reference Substance
8 spectrum(a)

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Spectrum Details

analyte	Coniferylalcohol, trans- (2TMS)
analyte InChI	InChI=1S/C16H28O3Si2/c1-17-16-13-14(9-8-12-18-20(2,3)4)10-11-15(16)19-21(5,6)7/h8-11,13H,12H2,1-7H3/b9-8+
analyte mass	324.56
chromatogram	6075hf_59
citation
authors	Boelling 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 date	19 July 2007
metabolite role	METB
retention time (sec)	666.11
retention index (VAR5 method, n-alkanes C10–C36)
base peak (m/z)	73
maximal intensity	701,110
mass-intensity-peaks cardinality	393 intensities
minimal m/z	45
maximal m/z	999
download JCAMP DX	SpectrumJcampDx.ashx?id=7aefac48-dc93-47be-80b2-73e3267ed361
download MSP	SpectrumMsp.ashx?id=7aefac48-dc93-47be-80b2-73e3267ed361

GC-Method

name	MDN35
citation	Kopka J, Max Planck Institute of Molecular Plant Physiology, Department of Molecular Plant Physiology (Prof. Willmitzer L), Am Muehlenberg 1, D-14476 Golm, Germany

attribute	text	details
deconvolution	ChromaTOF	BASELINE OFFSET: 1; SMOOTHING: 5; PEAK WIDTH: 3s; S/N: 10
derivatization	MEOX; MSTFA	METHOXYAMINATION: 120min at 37°C; TRIMETHYLSILYLATION: 30min at 37°C
detector	MS-TOF	m/z = 70-600; scans:20/s;
extraction	chloroform:dH2O	(2:1; v/v); chloroform (20°C); dH2O (4°C)
ion source	EI	70eV
RI	FAME, d6-Cholesterole	FAME: C8, C9, C10, C12, C14, C16, C18, C20, C22, C24, C26, C28, C30
separation	GC	COLUMN: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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