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

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

replica	lib entry date	detection	method	species
1	19 July 2007	MS-TOF	VAR5	Reference Substance
9	03 November 2010		Schomburg_GC_2010
10	30 March 2011		Fiehn_GC_2010
3	15 March 2005	MS-TOF	M[6]	Reference Substance
4	24 September 2004	MS-Quad	M[2]	Reference Substance
5	22 February 2005	MS-TOF	M[STR]
7	22 February 2005	MS-TOF	M[STR]
8	19 July 2007	MS-TOF	MDN35	Reference Substance
8 spectrum(a)

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Spectrum Details

analyte	1,3-Dihydroxyacetone phosphate (1MEOX) (3TMS) BP
analyte InChI
analyte mass	415.64
chromatogram	3219BF24
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	30 October 2003
metabolite role	METB
retention time (sec)	1,549.2
retention index (VAR5 method, n-alkanes C10–C36)	1,744.62 (predicted, according to Strehmel, N. et.al)
base peak (m/z)	73
maximal intensity	999
mass-intensity-peaks cardinality	197 intensities
minimal m/z	41
maximal m/z	495
download JCAMP DX	SpectrumJcampDx.ashx?id=26289685-29e9-4d45-8dfc-2fe9a865982c
download MSP	SpectrumMsp.ashx?id=26289685-29e9-4d45-8dfc-2fe9a865982c

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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