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Pantothenic acid, D- (3TMS)

 

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Replica Mass Spectra of Pantothenic acid, D- (3TMS)

replica	lib entry date	detection	method	species
13	28 August 2012		MassBank GC 2010 Tsujimoto
2	01 August 2002	MS-Quad	M[2]	Lotus japonicus (Regel) K. Larsen
3	12 October 2005	MS-TRAP	M[BAR]
4	01 October 2001	MS-TOF	M[EIGTMS]	Saccharomyces cerevisiae
12	28 August 2012		MassBank GC 2010 Kusano
6	16 June 2005	MS-TOF	M[STR]
9	16 April 2010	MS-TOF	VAR5	Reference Substance
15	05 June 2013		MRI_2013
7	01 January 2003	MS-Quad	M[2]	Standard
8	26 November 2004		M[FAME4090]	Standard
13 spectrum(a)
Page of 2     Results per page: 5 10 25 50 100 500

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Spectrum Details

analyte	Pantothenic acid, D- (3TMS)
analyte InChI	InChI=1S/C18H41NO5Si3/c1-18(2,14-22-25(3,4)5)16(24-27(9,10)11)17(21)19-13-12-15(20)23-26(6,7)8/h16H,12-14H2,1-11H3,(H,19,21)/t16-/m0/s1
analyte mass	435.78
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)	1,985.87 (predicted, according to Strehmel, N. et.al)
base peak (m/z)	73
maximal intensity	999
mass-intensity-peaks cardinality	261 intensities
minimal m/z	70
maximal m/z	436
download JCAMP DX	SpectrumJcampDx.ashx?id=012bf307-239b-49c7-a7e2-55f0e9048f21
download MSP	SpectrumMsp.ashx?id=012bf307-239b-49c7-a7e2-55f0e9048f21

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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