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Inositol-1-phosphate, myo- (7TMS)

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Replica Mass Spectra of Inositol-1-phosphate, myo- (7TMS)

replica	lib entry date	detection	method	species
1	01 November 2001	MS-Quad	M[2]	Standard
1 spectrum(a)

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Spectrum Details

analyte	Inositol-1-phosphate, myo- (7TMS)
analyte InChI	InChI=1S/C27H69O9PSi7/c1-38(2,3)30-23-22(29-37(28,35-43(16,17)18)36-44(19,20)21)24(31-39(4,5)6)26(33-41(10,11)12)27(34-42(13,14)15)25(23)32-40(7,8)9/h22-27H,1-21H3/t22-,23-,24-,25+,26-,27-/m1/s1
analyte mass	765.4
chromatogram	NA(_49)
citation
authors	Roessner-Tunali U, Forbes MG, University of Melbourne, School of Botany, 3010 Victoria, Australia
lib entry date	19 January 2005
metabolite role	METB
retention time (sec)
retention index (VAR5 method, n-alkanes C10–C36)	2,508.56 (predicted, according to Strehmel, N. et.al)
base peak (m/z)	318
maximal intensity	999
mass-intensity-peaks cardinality	302 intensities
minimal m/z	70
maximal m/z	587
download JCAMP DX	SpectrumJcampDx.ashx?id=7b87eedb-7c3a-4584-935b-cbbefc39dcaf
download MSP	SpectrumMsp.ashx?id=7b87eedb-7c3a-4584-935b-cbbefc39dcaf

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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