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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
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
6	19 July 2007	MS-TOF	MDN35	Reference Substance
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	NA(_27)
citation	Barsch A, Patschkowski T, Niehaus K (2004) Funct Integrat Genomics 4, 219-230
authors	Barsch A, Puehse M, Persicke M, Bielefeld University, Department of Molecular Phytopathology (Prof. Niehaus K), D-33501 Bielefeld, Germany
lib entry date	12 October 2005
metabolite role	METB
retention time (sec)	1,800.6
retention index (VAR5 method, n-alkanes C10–C36)	1,823.46 (predicted, according to Strehmel, N. et.al)
base peak (m/z)	287
maximal intensity	999
mass-intensity-peaks cardinality	205 intensities
minimal m/z	53
maximal m/z	541
download JCAMP DX	SpectrumJcampDx.ashx?id=cda4ad48-6b2c-4991-944d-0252256cf3b8
download MSP	SpectrumMsp.ashx?id=cda4ad48-6b2c-4991-944d-0252256cf3b8

GC-Method

name	M[BAR]
citation	Barsch A, Patschkowski T, Niehaus K (2004) Funct Integrat Genomics 4, 219-230

attribute	text	details
deconvolution	AMDIS, National Institute of Standards and Technology, Gaithersburg, MD, USA
derivatization	MEOX; TMS	Methoxyamination:90min37°C; Trimethylsilylation:30min37°C
detector	MS-TRAP	MZ:50-550; SCANS:2/s; PolarisQ; Thermo-Finnigan, Dreieich, Germany
extraction	methanol:water (4:1; v/v); 70°C
ion source	EI	70eV
metabolic inactivation	filtration; liquid nitrogen; lyophilization
partitioning	none
RI	ALKANE	C12, C15, C18, C19, C22, C28, C32, C36
separation	GC	COLUMN:5%diphenyl-95%dimethylpolysiloxane, 30m, ID:0.25mm, DF:0.25microm, EQUITY-5, #NA (Supelco, Bellfonte, CA, USA); PROGRAM:iso3min80°C, ramp3°C/min, iso1min300°C; FLOW:Helium, 0.6ml/min; INJECTION:1microL, splitless, 250°C; TRANSFER:250°C; IONSOURCE:200°C

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