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Replica Mass Spectra of Indole-3-acetonitrile (1TMS)
| replica | lib entry date | detection | method | species |
| 10 | 28 August 2012 | | MassBank GC 2010 Kusano | |
| 11 | 28 August 2012 | | MassBank GC 2010 Ara | |
| 1 | 19 July 2007 | MS-TOF | VAR5 | Reference Substance |
| 2 | 22 February 2005 | MS-TOF | M[STR] | |
| 4 | 01 February 2005 | MS-TOF | M[6] | Reference Substance |
| 7 | 19 March 2010 | MS-TOF | VAR5 | Arabidopsis Thaliana |
| 12 | 05 June 2013 | | MRI_2013 | |
| 6 | 12 May 2005 | | M[NIST] | |
| 9 | 30 March 2011 | | Fiehn_GC_2010 | |
| 9 spectrum(a) |
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Spectrum Details
| analyte | Indole-3-acetonitrile (1TMS) |
| analyte InChI | InChI=1S/C13H16N2Si/c1-16(2,3)15-10-11(8-9-14)12-6-4-5-7-13(12)15/h4-7,10H,8H2,1-3H3 |
| analyte mass | 228.37 |
| chromatogram | 6058hf_64 |
| 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) | 706.94 |
| retention index (VAR5 method, n-alkanes C10–C36) | |
| base peak (m/z) | 73 |
| maximal intensity | 181,838 |
| mass-intensity-peaks cardinality | 294 intensities |
| minimal m/z | 45 |
| maximal m/z | 1,000 |
| download JCAMP DX | SpectrumJcampDx.ashx?id=20d7dbbf-56a2-4347-a9c6-874903b15d3f |
| download MSP | SpectrumMsp.ashx?id=20d7dbbf-56a2-4347-a9c6-874903b15d3f |
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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