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Isocitric acid (4TMS)

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Replica Mass Spectra of Isocitric acid (4TMS)

replica	lib entry date	detection	method	species
25	28 August 2012		MassBank GC 2010 Kusano
1	11 September 2005		M[FAME4090]	Standard
2	19 January 2005	MS-QUAD	M[ROE]
27	28 August 2012		MassBank GC 2010 Ara
26	28 August 2012		MassBank GC 2010 Tsujimoto
29	05 June 2013		MRI_2013
6	01 October 2001	MS-TOF	M[EIGTMS]	Standard
8	12 May 2005		M[NIST]
9	22 February 2005	MS-TOF	M[STR]
10	12 October 2005	MS-TRAP	M[BAR]
25 spectrum(a)
Page of 3 Results per page:

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Spectrum Details

analyte	Isocitric acid (4TMS)
analyte InChI	InChI=1S/C18H40O7Si4/c1-26(2,3)22-15(19)13-14(17(20)24-28(7,8)9)16(23-27(4,5)6)18(21)25-29(10,11)12/h14,16H,13H2,1-12H3
analyte mass	480.85
chromatogram	6032hf_41
citation
authors	Boelling C, Liebig F, Erban A, 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	19 July 2007
metabolite role	METB-METB
retention time (sec)	583.34
retention index (VAR5 method, n-alkanes C10–C36)
base peak (m/z)	73
maximal intensity	615,714
mass-intensity-peaks cardinality	505 intensities
minimal m/z	45
maximal m/z	997
download JCAMP DX	SpectrumJcampDx.ashx?id=dc4da8dd-3215-4ae1-9cc8-3c583ce2012e
download MSP	SpectrumMsp.ashx?id=dc4da8dd-3215-4ae1-9cc8-3c583ce2012e

GC-Method

name	MDN35
citation	Kopka J, Max Planck Institute of Molecular Plant Physiology, Department of Molecular Plant Physiology (Prof. Willmitzer L), Am Muehlenberg 1, D-14476 Golm, Germany

attribute	text	details
deconvolution	ChromaTOF	BASELINE OFFSET: 1; SMOOTHING: 5; PEAK WIDTH: 3s; S/N: 10
derivatization	MEOX; MSTFA	METHOXYAMINATION: 120min at 37°C; TRIMETHYLSILYLATION: 30min at 37°C
detector	MS-TOF	m/z = 70-600; scans:20/s;
extraction	chloroform:dH2O	(2:1; v/v); chloroform (20°C); dH2O (4°C)
ion source	EI	70eV
RI	FAME, d6-Cholesterole	FAME: C8, C9, C10, C12, C14, C16, C18, C20, C22, C24, C26, C28, C30
separation	GC	COLUMN:35%phenyl-65%dimethylpolysiloxane, 30m, ID:0.32mm, DF:0.25µm, MDN-35 (Macherey-Nagel, Düren, Germany); PROGRAM:iso 2min 80°C, ramp 15°C/min, iso 6min 330°C; FLOW:Helium, 2mL/min; INJECTION:1µL, splitless, 230°C; TRANSFER:250°C; IONSOURCE:250°C

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