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Citric acid, 2-methyl- (4TMS) BP

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Replica Mass Spectra of Citric acid, 2-methyl- (4TMS) BP

replica	lib entry date	detection	method	species
1	12 October 2005	MS-TRAP	M[BAR]
2	19 July 2007	MS-TOF	VAR5	Reference Substance
3	05 December 2003	MS-Quad	M[2]	Standard
4	01 February 2005	MS-TOF	M[6]	Reference Substance
5	01 August 2002	MS-Quad	M[2]	Lotus japonicus (Regel) K. Larsen
7	01 February 2005	MS-TOF	M[6]	Reference Substance
8	01 August 2002	MS-Quad	M[2]	Lotus japonicus (Regel) K. Larsen
7 spectrum(a)

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Spectrum Details

analyte	Citric acid, 2-methyl- (4TMS) BP
analyte InChI	InChI=1S/C19H42O7Si4/c1-15(17(21)24-28(5,6)7)19(26-30(11,12)13,18(22)25-29(8,9)10)14-16(20)23-27(2,3)4/h15H,14H2,1-13H3/t15-,19+/m0/s1
analyte mass	494.87
chromatogram	6080hf_9
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
retention time (sec)	578.84
retention index (VAR5 method, n-alkanes C10–C36)
base peak (m/z)	73
maximal intensity	853,080
mass-intensity-peaks cardinality	515 intensities
minimal m/z	45
maximal m/z	998
download JCAMP DX	SpectrumJcampDx.ashx?id=7cdd6e5c-a370-4120-a0a7-9b639e313767
download MSP	SpectrumMsp.ashx?id=7cdd6e5c-a370-4120-a0a7-9b639e313767

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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