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Threonine (3TMS)

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Replica Mass Spectra of Threonine (3TMS)

replica	lib entry date	detection	method	species
1	01 August 2002	MS-Quad	M[2]	Lotus japonicus (Regel) K. Larsen
2	11 September 2005		M[FAME4090]	Standard
4	01 February 2005	MS-TOF	M[6]	Reference Substance
5	23 August 2005		M[FAME4090]
6	11 September 2005		M[FAME4090]	Standard
8	01 May 2001	MS-TOF	M[EIGTMS]	Standard
31	03 November 2010		Schomburg_GC_2010
9	01 June 2001	MS-TOF	M[EIGTMS]	Reference Substance
10	01 November 2001	MS-TOF	M[EIGTMS]	Corynebacterium glutamicum
11	22 February 2005	MS-TOF	M[STR]
34 spectrum(a)
Page of 4 Results per page:

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Spectrum Details

analyte	Threonine (3TMS)
analyte InChI	InChI=1S/C13H33NO3Si3/c1-11(16-19(5,6)7)12(14-18(2,3)4)13(15)17-20(8,9)10/h11-12,14H,1-10H3/t11-,12+/m1/s1
analyte mass	335.66
chromatogram	NA(_27)
citation	Barsch A, Patschkowski T, Niehaus K (2004) Funct Integrat Genomics 4, 219-230
authors	Barsch A, Puehse M, Persicke M, Bielefeld University, Department of Molecular Phytopathology (Prof. Niehaus K), D-33501 Bielefeld, Germany
lib entry date	12 October 2005
metabolite role	METB
retention time (sec)	1,145.4
retention index (VAR5 method, n-alkanes C10–C36)	1,379.63 (predicted, according to Strehmel, N. et.al)
base peak (m/z)	73
maximal intensity	999
mass-intensity-peaks cardinality	26 intensities
minimal m/z	57
maximal m/z	299
download JCAMP DX	SpectrumJcampDx.ashx?id=6fbc3b1a-26b9-4431-924d-1734ac695486
download MSP	SpectrumMsp.ashx?id=6fbc3b1a-26b9-4431-924d-1734ac695486

GC-Method

name	M[BAR]
citation	Barsch A, Patschkowski T, Niehaus K (2004) Funct Integrat Genomics 4, 219-230

attribute	text	details
deconvolution	AMDIS, National Institute of Standards and Technology, Gaithersburg, MD, USA
derivatization	MEOX; TMS	Methoxyamination:90min37°C; Trimethylsilylation:30min37°C
detector	MS-TRAP	MZ:50-550; SCANS:2/s; PolarisQ; Thermo-Finnigan, Dreieich, Germany
extraction	methanol:water (4:1; v/v); 70°C
ion source	EI	70eV
metabolic inactivation	filtration; liquid nitrogen; lyophilization
partitioning	none
RI	ALKANE	C12, C15, C18, C19, C22, C28, C32, C36
separation	GC	COLUMN:5%diphenyl-95%dimethylpolysiloxane, 30m, ID:0.25mm, DF:0.25microm, EQUITY-5, #NA (Supelco, Bellfonte, CA, USA); PROGRAM:iso3min80°C, ramp3°C/min, iso1min300°C; FLOW:Helium, 0.6ml/min; INJECTION:1microL, splitless, 250°C; TRANSFER:250°C; IONSOURCE:200°C

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