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Psicose (1MEOX) (5TMS) BP

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Replica Mass Spectra of Psicose (1MEOX) (5TMS) BP

replica	lib entry date	detection	method	species
1	19 July 2007	MS-TOF	MDN35	Reference Substance
2	19 July 2007	MS-TOF	VAR5	Reference Substance
5	28 August 2012		MassBank GC 2010 Tsujimoto
4	26 November 2004		M[FAME4090]	Standard
4 spectrum(a)

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Spectrum Details

analyte	Psicose (1MEOX) (5TMS) BP
analyte InChI	InChI=1S/C22H55NO6Si5/c1-24-23-19(17-25-30(2,3)4)21(28-33(11,12)13)22(29-34(14,15)16)20(27-32(8,9)10)18-26-31(5,6)7/h20-22H,17-18H2,1-16H3/b23-19-/t20-,21+,22-/m1/s1
analyte mass	570.1
chromatogram	1135EC00
citation	Wagner C, Sefkow M, Kopka J (2003) Phytochemistry 62, 887-900
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	01 May 2001
metabolite role	METB
retention time (sec)	729.24
retention index (VAR5 method, n-alkanes C10–C36)	1,839.32 (predicted, according to Strehmel, N. et.al)
base peak (m/z)	73
maximal intensity	999
mass-intensity-peaks cardinality	124 intensities
minimal m/z	73
maximal m/z	366
download JCAMP DX	SpectrumJcampDx.ashx?id=2a1f7f5f-b7a4-45b8-9a11-96b75f110410
download MSP	SpectrumMsp.ashx?id=2a1f7f5f-b7a4-45b8-9a11-96b75f110410

GC-Method

name	M[EIGTMS]
citation	Wagner C, Sefkow M, Kopka J (2003) Phytochemistry 62, 887-900

attribute	text	details
deconvolution	AMDIS, National Institute of Standards and Technology, Gaithersburg, MD, USA	DIRECTION:non scanning; WIDTH: 20; SUBTRACTION: two; RESOLUTION: high; SENSITIVITY: medium; SHAPE: high
derivatization	MEOX; TMS	Methoxyamination:60min37°C; Trimethylsilylation:>60min37°C
detector	MS-TOF	MZ:70-600; SCANS:6/s; Pegasus II TOF-MS; LECO, St. Joseph, MI, 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:iso2min80°C, ramp15°C/min, iso2min350°C; FLOW:Helium, 1.0ml/min; INJECTION:1microL, splitless, 230°C, 2min110psi; TRANSFER:250°C; IONSOURCE:200°C

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