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Estradiol, 17beta- (2TMS)

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Replica Mass Spectra of Estradiol, 17beta- (2TMS)

replica	lib entry date	detection	method	species
2	12 May 2005		M[NIST]
4	12 May 2005		M[NIST]
5	12 May 2005		M[NIST]
9	30 March 2011		Fiehn_GC_2010
6	19 July 2007	MS-TOF	VAR5	Reference Substance
7	25 January 2005	MS-TOF	M[MOR]
6 spectrum(a)

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Spectrum Details

analyte	Estradiol, 17beta- (2TMS)
analyte InChI	InChI=1S/C24H40O2Si2/c1-24-15-14-20-19-11-9-18(25-27(2,3)4)16-17(19)8-10-21(20)22(24)12-13-23(24)26-28(5,6)7/h9,11,16,20-23H,8,10,12-15H2,1-7H3/t20-,21-,22+,23+,24+/m1/s1
analyte mass	416.74
chromatogram	6028hf_42
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)	945.34
retention index (VAR5 method, n-alkanes C10–C36)
base peak (m/z)	73
maximal intensity	1,025,837
mass-intensity-peaks cardinality	447 intensities
minimal m/z	45
maximal m/z	995
download JCAMP DX	SpectrumJcampDx.ashx?id=e2448d0e-d8fe-4533-b2eb-15bcc4c52acd
download MSP	SpectrumMsp.ashx?id=e2448d0e-d8fe-4533-b2eb-15bcc4c52acd

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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