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Adipic acid, 2-amino- (3TMS)

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Replica Mass Spectra of Adipic acid, 2-amino- (3TMS)

replica	lib entry date	detection	method	species
18	28 August 2012		MassBank GC 2010 Tsujimoto
1	25 January 2005	MS-TOF	M[MOR]
2	01 May 2001	MS-TOF	M[EIGTMS]	Saccharomyces cerevisiae
17	03 November 2010		Schomburg_GC_2010
3	12 May 2005		M[NIST]
4	19 July 2007	MS-TOF	VAR5	Reference Substance
5	12 May 2005		M[NIST]
19	05 June 2013		MRI_2013
7	01 August 2002	MS-Quad	M[2]	Lotus japonicus (Regel) K. Larsen
8	26 November 2004		M[FAME4090]	Standard
16 spectrum(a)
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Spectrum Details

analyte	Adipic acid, 2-amino- (3TMS)
analyte InChI	InChI=1S/C15H35NO4Si3/c1-21(2,3)16-13(15(18)20-23(7,8)9)11-10-12-14(17)19-22(4,5)6/h13,16H,10-12H2,1-9H3/t13-/m1/s1
analyte mass	377.7
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)	1,617.6
retention index (VAR5 method, n-alkanes C10–C36)	1,711.32 (predicted, according to Strehmel, N. et.al)
base peak (m/z)	260
maximal intensity	999
mass-intensity-peaks cardinality	139 intensities
minimal m/z	54
maximal m/z	526
download JCAMP DX	SpectrumJcampDx.ashx?id=14d10cab-4abe-4263-b65f-6df4af294777
download MSP	SpectrumMsp.ashx?id=14d10cab-4abe-4263-b65f-6df4af294777

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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