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Replica Mass Spectra of Undecanoic acid (1TMS)
| replica | lib entry date | detection | method | species |
| 1 | 25 January 2005 | MS-TOF | M[MOR] | |
| 3 | 19 July 2007 | MS-TOF | VAR5 | Reference Substance |
| 4 | 19 July 2007 | MS-TOF | MDN35 | Reference Substance |
| 5 | 22 February 2005 | MS-TOF | M[STR] | |
| 6 | 01 February 2005 | MS-TOF | M[6] | Reference Substance |
| 10 | 03 November 2010 | | Schomburg_GC_2010 | |
| 7 | 22 February 2005 | MS-TOF | M[STR] | |
| 8 | 19 July 2007 | MS-TOF | MDN35 | Reference Substance |
| 8 spectrum(a) |
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Spectrum Details
| analyte | Undecanoic acid (1TMS) |
| analyte InChI | InChI=1S/C14H30O2Si/c1-5-6-7-8-9-10-11-12-13-14(15)16-17(2,3)4/h5-13H2,1-4H3 |
| analyte mass | 258.47 |
| chromatogram | 3196BU20 |
| 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 | 08 December 2003 |
| metabolite role | CONT-METB |
| retention time (sec) | 1,325.34 |
| retention index (VAR5 method, n-alkanes C10–C36) | 1,554.6 (predicted, according to Strehmel, N. et.al) |
| base peak (m/z) | 73 |
| maximal intensity | 999 |
| mass-intensity-peaks cardinality | 148 intensities |
| minimal m/z | 40 |
| maximal m/z | 594 |
| download JCAMP DX | SpectrumJcampDx.ashx?id=d72b8e15-b05d-45bd-a77a-416bf70e1b6d |
| download MSP | SpectrumMsp.ashx?id=d72b8e15-b05d-45bd-a77a-416bf70e1b6d |
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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