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1,3-Dihydroxyacetone phosphate (1MEOX) (3TMS) MP

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Replica Mass Spectra of 1,3-Dihydroxyacetone phosphate (1MEOX) (3TMS) MP

replica	lib entry date	detection	method	species
11	03 November 2010		Schomburg_GC_2010
2	15 March 2005	MS-TOF	M[6]	Reference Substance
3	19 July 2007	MS-TOF	VAR5	Reference Substance
4	22 February 2005	MS-TOF	M[STR]
5	24 September 2004	MS-Quad	M[2]	Reference Substance
6	19 July 2007	MS-TOF	MDN35	Reference Substance
7	12 May 2005		M[NIST]
8	01 November 2001	MS-TOF	M[EIGTMS]	Corynebacterium glutamicum
9	22 February 2005	MS-TOF	M[STR]
12	30 March 2011		Fiehn_GC_2010
10 spectrum(a)

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Spectrum Details

analyte	1,3-Dihydroxyacetone phosphate (1MEOX) (3TMS) MP
analyte InChI
analyte mass	415.64
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)	1,674.6
retention index (VAR5 method, n-alkanes C10–C36)	1,734.08 (predicted, according to Strehmel, N. et.al)
base peak (m/z)	315
maximal intensity	999
mass-intensity-peaks cardinality	114 intensities
minimal m/z	52
maximal m/z	541
download JCAMP DX	SpectrumJcampDx.ashx?id=aa9af1a4-0e19-4715-b9c0-f9a016f4f59e
download MSP	SpectrumMsp.ashx?id=aa9af1a4-0e19-4715-b9c0-f9a016f4f59e

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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