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Replica Mass Spectra of Butanoic acid, 4-amino- (3TMS)
replica | lib entry date | detection | method | species |
1 | 24 October 2003 | MS-Quad | M[2] | Standard |
2 | 01 August 2002 | MS-Quad | M[2] | Lotus japonicus (Regel) K. Larsen |
4 | 26 November 2004 | | M[FAME4090] | Standard |
29 | 28 August 2012 | | MassBank GC 2010 Ara | |
26 | 30 March 2011 | | Fiehn_GC_2010 | |
30 | 28 August 2012 | | MassBank GC 2010 Ara | |
6 | 01 May 2001 | MS-TOF | M[EIGTMS] | Standard Addition |
7 | 11 September 2005 | | M[FAME4090] | Standard |
8 | 12 May 2005 | | M[NIST] | |
9 | 19 July 2007 | MS-TOF | VAR5 | Reference Substance |
29 spectrum(a) |
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Spectrum Details
analyte | Butanoic acid, 4-amino- (3TMS) |
analyte InChI | InChI=1S/C13H33NO2Si3/c1-17(2,3)14(18(4,5)6)12-10-11-13(15)16-19(7,8)9/h10-12H2,1-9H3 |
analyte mass | 319.66 |
chromatogram | 3237BF26 |
citation | Schauer N, Steinhauser D, Strelkov S, Schomburg D, Allison G, Moritz T, Lundgren K, Roessner-Tunali U, Forbes MG, Willmitzer L, Fernie AR, Kopka J (2005) FEBS Letters 579, 1332-1337 |
authors | 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 | 01 December 2003 |
metabolite role | METB |
retention time (sec) | 1,279.02 |
retention index (VAR5 method, n-alkanes C10–C36) | 1,527.45 (predicted, according to Strehmel, N. et.al) |
base peak (m/z) | 174 |
maximal intensity | 999 |
mass-intensity-peaks cardinality | 50 intensities |
minimal m/z | 43 |
maximal m/z | 306 |
download JCAMP DX | SpectrumJcampDx.ashx?id=53d583d8-40c6-40e1-9296-23f821cd77a5 |
download MSP | SpectrumMsp.ashx?id=53d583d8-40c6-40e1-9296-23f821cd77a5 |
GC-Method
name | M[2] |
citation | Roessner U, Wagner C, Kopka J, Trethewey RN, Willmitzer L (2000) Plant J 23, 131-142 |
attribute | text | details |
deconvolution | AMDIS, National Institute of Standards and Technology, Gaithersburg, MD, USA | DIRECTION:Low to High; WIDTH: 20; SUBTRACTION: two; RESOLUTION: low; SENSITIVITY: low; SHAPE: low |
derivatization | MEOX; TMS | Methoxyamination:60min37°C; Trimethylsilylation:>45min37°C |
detector | MS-Quad | m/z = 35-600; scans:2/s; MD 800 Thermo-Finnigan, San Jose, CA, USA |
extraction | methanol:water (4:1; v/v); 15min70°C | |
ion source | EI | 70eV |
metabolic inactivation | cut; liquid nitrogen; -80°C | |
partitioning | methanol fraction of a methanol:water:chloroform (approx. 2:2:1, v/v/v) partitioning | |
RI | ALKANE | C12, C15, C19, C22, C28, C32, C36 |
separation | GC | COLUMN:5%diphenyl-95%dimethylpolysiloxane (arylene), 30+10m, ID:0.25mm, DF:0.25microm, Rtx-5SilMS Integra-Guard, #NA (Restek, Bad Homburg, Germany); PROGRAM:iso1min70°C, ramp9°C/min, iso5min350°C; FLOW:Helium, 0.6ml/min; INJECTION:1microL, splitless, 230°C; TRANSFER:250°C; IONSOURCE:250°C |
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