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Phenylalanine (2TMS)

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Replica Mass Spectra of Phenylalanine (2TMS)

replica	lib entry date	detection	method	species
28	03 November 2010		Schomburg_GC_2010
1	19 July 2007	MS-TOF	VAR5	Reference Substance
2	22 February 2005	MS-TOF	M[STR]
3	01 August 2002	MS-Quad	M[2]	Lotus japonicus (Regel) K. Larsen
4	12 June 2003	MS-Quad	M[2]	Reference Substance
5	12 May 2005		M[NIST]
29	28 August 2012		MassBank GC 2010 Kusano
7	22 February 2005	MS-TOF	M[STR]
8	01 February 2005	MS-TOF	M[6]	Reference Substance
9	01 December 2003	MS-Quad	M[2]	Standard
30 spectrum(a)
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Spectrum Details

analyte	Phenylalanine (2TMS)
analyte InChI	InChI=1S/C15H27NO2Si2/c1-19(2,3)16-14(15(17)18-20(4,5)6)12-13-10-8-7-9-11-13/h7-11,14,16H,12H2,1-6H3/t14-/m0/s1
analyte mass	309.55
chromatogram	6044hf_63
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)	517.56
retention index (VAR5 method, n-alkanes C10–C36)
base peak (m/z)	73
maximal intensity	957,764
mass-intensity-peaks cardinality	217 intensities
minimal m/z	45
maximal m/z	298
download JCAMP DX	SpectrumJcampDx.ashx?id=4db9eb04-f9bd-440e-95d6-4a5cb2935bcf
download MSP	SpectrumMsp.ashx?id=4db9eb04-f9bd-440e-95d6-4a5cb2935bcf

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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