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Replica Mass Spectra of Alanine (3TMS)
| replica | lib entry date | detection | method | species |
| 1 | 11 September 2005 | | M[FAME4090] | Standard |
| 2 | 01 August 2002 | MS-Quad | M[2] | Lotus japonicus (Regel) K. Larsen |
| 3 | 12 June 2003 | MS-Quad | M[2] | Arabidopsis thaliana |
| 4 | 15 March 2005 | MS-TOF | M[6] | Reference Substance |
| 5 | 01 October 2001 | MS-TOF | M[EIGTMS] | Standard Addition |
| 6 | 19 January 2005 | MS-QUAD | M[ROE] | |
| 9 | 22 February 2005 | MS-TOF | M[STR] | |
| 19 | 03 November 2010 | | Schomburg_GC_2010 | |
| 11 | 01 August 2002 | MS-Quad | M[2] | Lotus japonicus (Regel) K. Larsen |
| 12 | 01 November 2001 | MS-TOF | M[EIGTMS] | Corynebacterium glutamicum |
| 14 spectrum(a) |
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Spectrum Details
| analyte | Alanine (3TMS) |
| analyte InChI | InChI=1S/C12H31NO2Si3/c1-11(12(14)15-18(8,9)10)13(16(2,3)4)17(5,6)7/h11H,1-10H3 |
| analyte mass | 305.64 |
| chromatogram | 2236BN30 |
| 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 August 2002 |
| metabolite role | METB |
| retention time (sec) | 1,027.68 |
| retention index (VAR5 method, n-alkanes C10–C36) | 1,360.5 (predicted, according to Strehmel, N. et.al) |
| base peak (m/z) | 188 |
| maximal intensity | 999 |
| mass-intensity-peaks cardinality | 26 intensities |
| minimal m/z | 45 |
| maximal m/z | 292 |
| download JCAMP DX | SpectrumJcampDx.ashx?id=26edee73-4138-4a98-9155-4c0b4b7201d9 |
| download MSP | SpectrumMsp.ashx?id=26edee73-4138-4a98-9155-4c0b4b7201d9 |
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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