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Gluconic acid (6TMS)

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Replica Mass Spectra of Gluconic acid (6TMS)

replica	lib entry date	detection	method	species
1	12 May 2005		M[NIST]
22	30 March 2011		Fiehn_GC_2010
2	12 May 2005		M[NIST]
3	25 January 2005	MS-TOF	M[MOR]
23	28 August 2012		MassBank GC 2010 Tsujimoto
5	01 October 2001	MS-Quad	M[2]	Standard
24	28 August 2012		MassBank GC 2010 Tsujimoto
6	11 September 2005		M[FAME4090]	Standard
7	12 May 2005		M[NIST]
8	01 October 2001	MS-TOF	M[EIGTMS]	Standard
22 spectrum(a)
Page of 3 Results per page:

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Spectrum Details

analyte	Gluconic acid (6TMS)
analyte InChI	InChI=1S/C24H60O7Si6/c1-32(2,3)26-19-20(27-33(4,5)6)21(28-34(7,8)9)22(29-35(10,11)12)23(30-36(13,14)15)24(25)31-37(16,17)18/h20-23H,19H2,1-18H3/t20-,21-,22+,23-/m1/s1
analyte mass	629.24
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)	2,001.6
retention index (VAR5 method, n-alkanes C10–C36)	1,990.44 (predicted, according to Strehmel, N. et.al)
base peak (m/z)	73
maximal intensity	999
mass-intensity-peaks cardinality	322 intensities
minimal m/z	53
maximal m/z	542
download JCAMP DX	SpectrumJcampDx.ashx?id=fe13fdcc-bf4b-4669-bc99-1af3d0943297
download MSP	SpectrumMsp.ashx?id=fe13fdcc-bf4b-4669-bc99-1af3d0943297

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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