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Pinitol, D- (5TMS)

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Replica Mass Spectra of Pinitol, D- (5TMS)

replica	lib entry date	detection	method	species
1	01 February 2005	MS-TOF	M[6]	Reference Substance
2	08 December 2003	MS-Quad	M[2]	Standard
3	01 August 2002	MS-Quad	M[2]	Lotus japonicus (Regel) K. Larsen
8	05 June 2013		MRI_2013
6	12 October 2005	MS-TRAP	M[BAR]
7	01 May 2001	MS-TOF	M[EIGTMS]	Arabidopsis thaliana
6 spectrum(a)

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Spectrum Details

analyte	Pinitol, D- (5TMS)
analyte InChI	InChI=1S/C22H54O6Si5/c1-23-17-18(24-29(2,3)4)20(26-31(8,9)10)22(28-33(14,15)16)21(27-32(11,12)13)19(17)25-30(5,6)7/h17-22H,1-16H3/t17?,18-,19+,20-,21-,22?/m1/s1
analyte mass	555.09
chromatogram	NA(_49)
citation
authors	Roessner-Tunali U, Forbes MG, University of Melbourne, School of Botany, 3010 Victoria, Australia
lib entry date	22 January 2005
metabolite role	METB
retention time (sec)
retention index (VAR5 method, n-alkanes C10–C36)	1,817.76 (predicted, according to Strehmel, N. et.al)
base peak (m/z)	73
maximal intensity	999
mass-intensity-peaks cardinality	229 intensities
minimal m/z	70
maximal m/z	508
download JCAMP DX	SpectrumJcampDx.ashx?id=9a2deccf-83f7-4808-bc98-b1d425340334
download MSP	SpectrumMsp.ashx?id=9a2deccf-83f7-4808-bc98-b1d425340334

GC-Method

name	M[ROE]
citation	U. Roessner, J. Patterson, M. Forbes, G. Fincher, P. Langridge, A. Bacic, Plant Physiology 142 (2006) 1087

attribute	text	details
deconvolution	Xcalibur program
derivatization	MEOX; MSTFA	METHOXYAMINATION: 120min at 37°C; SILYLATION: 30min at 37°C
detector	MS-QUAD	m/z = 70-600; scans:2/s; DSQ quadrupole mass spectrometer
extraction	methanol:chloroform
ion source	EI	70eV
RI	ALKANE	C12, C15, C19, C22, C28, C32, C36
separation	GC	COLUMN:5%diphenyl-95%dimethylpolysiloxane, 30+10m, ID:0.25mm, DF:0.25µm, VF-5MS (Varian, Darmstadt, Germany); PROGRAM:injection at 70°C, ramp 1°C/min to 76°C, ramp 6°C/min to 330°C, iso at 330°C for 10min; FLOW:Helium, 1mL/min; INJECTION:1µL, splitless, 230°C; TRANSFER:280°C; IONSOURCE:250°C

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