GMD - Limonene, (+/-)- - InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3 (original) (raw)
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Replica Mass Spectra of Limonene, (+/-)-
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Spectrum Details
| analyte | Limonene, (+/-)- |
|---|---|
| analyte InChI | InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3 |
| analyte mass | 136.23 |
| chromatogram | 6036if_40 |
| 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) | 422.79 |
| retention index (VAR5 method, n-alkanes C10–C36) | 1,036.89 (observed) |
| base peak (m/z) | 68 |
| maximal intensity | 2,793 |
| mass-intensity-peaks cardinality | 481 intensities |
| minimal m/z | 45 |
| maximal m/z | 999 |
| download JCAMP DX | SpectrumJcampDx.ashx?id=69d65d67-cef8-4af7-8d38-43a63ba43249 |
| download MSP | SpectrumMsp.ashx?id=69d65d67-cef8-4af7-8d38-43a63ba43249 |
GC-Method
| name | VAR5 |
|---|---|
| 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 | OFFSET: "just above noise"; SMOOTHING: 20; PEAK WIDTH: 6; S/N: 2 |
| derivatization | MEOX; TMS | METHOXYAMINATION: 90min at 30°C; TRIMETHYLSILYLATION: 30min at 37°C |
| detector | MS-TOF | m/z = 70-600; scans:20/s; Pegasus III TOF mass spectrometer |
| extraction | water:chloroform | (2:1; v/v) 15min at 70°C |
| gas chromatograph | Agilent GC 6890 | |
| ion source | EI | 70eV |
| mass spectrometry instrument | Pegasus III TOF mass spectrometer | |
| metabolic inactivation | shock-frozen in liquid nitrogen | |
| RI | ALKANE | C10, C12, C15, C18, C19, C22, C28, C32, C36 |
| separation | GC | COLUMN:5%phenyl-95%dimethylpolysiloxane, 30+10m, ID:0.25mm, DF:0.25µm, 5PDM VF-5ms (Varian, Darmstadt, Germany); PROGRAM:iso1min 70°C, ramp 9°C/min, iso 5min 350°C; FLOW:Helium, 0.6mL/min; INJECTION:1µL, splitless, 230°C; TRANSFER:250°C; IONSOURCE:250°C |
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