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Phenylalanine (1TMS)

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Replica Mass Spectra of Phenylalanine (1TMS)

replica	lib entry date	detection	method	species
10	30 March 2011		Fiehn_GC_2010
9	03 November 2010		Schomburg_GC_2010
1	01 May 2001	MS-TOF	M[EIGTMS]	Standard
3	12 May 2005		M[NIST]
4	15 March 2005	MS-TOF	M[6]	Reference Substance
5	01 November 2001	MS-TOF	M[EIGTMS]	Corynebacterium glutamicum
11	30 March 2011		Fiehn_GC_2010
6	22 February 2005	MS-TOF	M[STR]
7	19 July 2007	MS-TOF	VAR5	Reference Substance
12	05 June 2013		MRI_2013
11 spectrum(a)
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Spectrum Details

analyte	Phenylalanine (1TMS)
analyte InChI	InChI=1S/C12H19NO2Si/c1-16(2,3)15-12(14)11(13)9-10-7-5-4-6-8-10/h4-8,11H,9,13H2,1-3H3/t11-/m0/s1
analyte mass	237.37
chromatogram	NA(_46)
citation	Strelkov S, von Elstermann M, Schomburg D (2004) Biological Chemistry 385, 853-861
authors	Strelkov S, University of Cologne, CUBIC - Institute of Biochemistry, Department Prof. Schomburg, Zuelpicher Str. 47, D-50674 Cologne, Germany
lib entry date	22 February 2005
metabolite role	METB
retention time (sec)
retention index (VAR5 method, n-alkanes C10–C36)	1,554.1 (predicted, according to Strehmel, N. et.al)
base peak (m/z)	120
maximal intensity	999
mass-intensity-peaks cardinality	87 intensities
minimal m/z	39
maximal m/z	237
download JCAMP DX	SpectrumJcampDx.ashx?id=57f716a3-8210-49ad-841e-31474ddec6cd
download MSP	SpectrumMsp.ashx?id=57f716a3-8210-49ad-841e-31474ddec6cd

GC-Method

name	M[STR]
citation	Strelkov S, von Elstermann M, Schomburg D (2004) Biological Chemistry 385, 853-861

attribute	text	details
detector	MS-TOF
ion source	EI	70eV
RI	ALKANE	C10, C12, C15, C19, C22, C28, C32, C36
separation	GC	DB-5MS column (30m x 0.25µm) from J&W Scientific (Folsom, USA)

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