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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]
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	12 October 2005	MS-TRAP	M[BAR]
10 spectrum(a)

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Spectrum Details

analyte	1,3-Dihydroxyacetone phosphate (1MEOX) (3TMS) MP
analyte InChI
analyte mass	415.64
chromatogram	4029BB28
citation
authors	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	24 September 2004
metabolite role	METB
retention time (sec)	1,481.82
retention index (VAR5 method, n-alkanes C10–C36)	1,734.08 (predicted, according to Strehmel, N. et.al)
base peak (m/z)	73
maximal intensity	999
mass-intensity-peaks cardinality	231 intensities
minimal m/z	40
maximal m/z	404
download JCAMP DX	SpectrumJcampDx.ashx?id=af7fe1b9-7b26-4b3d-9f82-8c2129f3f6c1
download MSP	SpectrumMsp.ashx?id=af7fe1b9-7b26-4b3d-9f82-8c2129f3f6c1

GC-Method

name	M[2]
citation	Roessner U, Wagner C, Kopka J, Trethewey RN, Willmitzer L (2000) Plant J 23, 131-142

attribute	text	details
deconvolution	AMDIS, National Institute of Standards and Technology, Gaithersburg, MD, USA	DIRECTION:Low to High; WIDTH: 20; SUBTRACTION: two; RESOLUTION: low; SENSITIVITY: low; SHAPE: low
derivatization	MEOX; TMS	Methoxyamination:60min37°C; Trimethylsilylation:>45min37°C
detector	MS-Quad	m/z = 35-600; scans:2/s; MD 800 Thermo-Finnigan, San Jose, CA, USA
extraction	methanol:water (4:1; v/v); 15min70°C
ion source	EI	70eV
metabolic inactivation	cut; liquid nitrogen; -80°C
partitioning	methanol fraction of a methanol:water:chloroform (approx. 2:2:1, v/v/v) partitioning
RI	ALKANE	C12, C15, C19, C22, C28, C32, C36
separation	GC	COLUMN:5%diphenyl-95%dimethylpolysiloxane (arylene), 30+10m, ID:0.25mm, DF:0.25microm, Rtx-5SilMS Integra-Guard, #NA (Restek, Bad Homburg, Germany); PROGRAM:iso1min70°C, ramp9°C/min, iso5min350°C; FLOW:Helium, 0.6ml/min; INJECTION:1microL, splitless, 230°C; TRANSFER:250°C; IONSOURCE:250°C

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