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Gluconic acid-6-phosphate (7TMS)

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Replica Mass Spectra of Gluconic acid-6-phosphate (7TMS)

replica	lib entry date	detection	method	species
1	01 January 2002	MS-TOF	M[EIGTMS]	Reference Substance
2	12 May 2005		M[NIST]
14	03 November 2010		Schomburg_GC_2010
4	26 November 2004		M[FAME4090]	Standard
5	12 May 2005		M[NIST]
6	12 May 2005		M[NIST]
8	22 February 2005	MS-TOF	M[STR]
10	01 November 2001	MS-Quad	M[2]	Reference Substance
11	01 November 2001	MS-TOF	M[EIGTMS]	Corynebacterium glutamicum
15	30 March 2011		Fiehn_GC_2010
12 spectrum(a)
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Spectrum Details

analyte	Gluconic acid-6-phosphate (7TMS)
analyte InChI	InChI=1S/C27H69O10PSi7/c1-39(2,3)31-23(22-30-38(29,36-44(16,17)18)37-45(19,20)21)24(32-40(4,5)6)25(33-41(7,8)9)26(34-42(10,11)12)27(28)35-43(13,14)15/h23-26H,22H2,1-21H3/t23-,24-,25+,26-/m1/s1
analyte mass	781.4
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)	2,461.8
retention index (VAR5 method, n-alkanes C10–C36)	2,414.04 (predicted, according to Strehmel, N. et.al)
base peak (m/z)	387
maximal intensity	999
mass-intensity-peaks cardinality	243 intensities
minimal m/z	53
maximal m/z	541
download JCAMP DX	SpectrumJcampDx.ashx?id=dd910a98-a84c-4749-8168-6992a695b875
download MSP	SpectrumMsp.ashx?id=dd910a98-a84c-4749-8168-6992a695b875

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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