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Pantothenic acid, D- (3TMS)

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Replica Mass Spectra of Pantothenic acid, D- (3TMS)

replica	lib entry date	detection	method	species
13	28 August 2012		MassBank GC 2010 Tsujimoto
2	01 August 2002	MS-Quad	M[2]	Lotus japonicus (Regel) K. Larsen
4	01 October 2001	MS-TOF	M[EIGTMS]	Saccharomyces cerevisiae
5	19 January 2005	MS-QUAD	M[ROE]
12	28 August 2012		MassBank GC 2010 Kusano
6	16 June 2005	MS-TOF	M[STR]
9	16 April 2010	MS-TOF	VAR5	Reference Substance
15	05 June 2013		MRI_2013
7	01 January 2003	MS-Quad	M[2]	Standard
8	26 November 2004		M[FAME4090]	Standard
13 spectrum(a)
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Spectrum Details

analyte	Pantothenic acid, D- (3TMS)
analyte InChI	InChI=1S/C18H41NO5Si3/c1-18(2,14-22-25(3,4)5)16(24-27(9,10)11)17(21)19-13-12-15(20)23-26(6,7)8/h16H,12-14H2,1-11H3,(H,19,21)/t16-/m0/s1
analyte mass	435.78
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)	1,971.6
retention index (VAR5 method, n-alkanes C10–C36)	1,985.87 (predicted, according to Strehmel, N. et.al)
base peak (m/z)	201
maximal intensity	999
mass-intensity-peaks cardinality	157 intensities
minimal m/z	55
maximal m/z	544
download JCAMP DX	SpectrumJcampDx.ashx?id=99aba92e-9532-4bee-b291-27c384ffcec3
download MSP	SpectrumMsp.ashx?id=99aba92e-9532-4bee-b291-27c384ffcec3

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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