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Ascorbic acid (4TMS)

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Replica Mass Spectra of Ascorbic acid (4TMS)

replica	lib entry date	detection	method	species
1	12 May 2005		M[NIST]
2	12 June 2003	MS-Quad	M[2]	Arabidopsis thaliana
3	12 May 2005		M[NIST]
14	03 November 2010		Schomburg_GC_2010
16	28 August 2012		MassBank GC 2010 Tsujimoto
5	01 December 2003	MS-Quad	M[2]	Standard Addition
6	01 May 2001	MS-TOF	M[EIGTMS]	Standard Addition
13	19 March 2010	MS-TOF	VAR5	Arabidopsis Thaliana
7	19 July 2007	MS-TOF	VAR5	Reference Substance
8	01 May 2001	MS-TOF	M[EIGTMS]	Standard Addition
15 spectrum(a)
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Spectrum Details

analyte	Ascorbic acid (4TMS)
analyte InChI	InChI=1S/C18H40O6Si4/c1-25(2,3)20-13-14(22-26(4,5)6)15-16(23-27(7,8)9)17(18(19)21-15)24-28(10,11)12/h14-15H,13H2,1-12H3/t14-,15+/m0/s1
analyte mass	464.85
chromatogram	6018hf_4
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)	637.82
retention index (VAR5 method, n-alkanes C10–C36)
base peak (m/z)	73
maximal intensity	2,226,044
mass-intensity-peaks cardinality	527 intensities
minimal m/z	45
maximal m/z	1,000
download JCAMP DX	SpectrumJcampDx.ashx?id=d1513edc-db22-4a88-bc10-49baa213cd1f
download MSP	SpectrumMsp.ashx?id=d1513edc-db22-4a88-bc10-49baa213cd1f

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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