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Replica Mass Spectra of Malic acid, 2-methyl- (3TMS)
replica | lib entry date | detection | method | species |
1 | 01 February 2005 | MS-TOF | M[6] | Reference Substance |
2 | 11 September 2005 | | M[FAME4090] | Standard |
3 | 01 May 2001 | MS-TOF | M[EIGTMS] | Arabidopsis thaliana |
5 | 19 January 2005 | MS-QUAD | M[ROE] | |
6 | 01 August 2002 | MS-Quad | M[2] | Lotus japonicus (Regel) K. Larsen |
7 | 19 July 2007 | MS-TOF | MDN35 | Reference Substance |
8 | 19 July 2007 | MS-TOF | MDN35 | Reference Substance |
9 | 01 July 2001 | MS-Quad | M[2] | Reference Substance |
10 | 01 October 2001 | MS-TOF | M[EIGTMS] | Standard Addition |
19 | 30 March 2011 | | Fiehn_GC_2010 | |
20 spectrum(a) |
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Spectrum Details
analyte | Malic acid, 2-methyl- (3TMS) |
analyte InChI | InChI=1S/C14H32O5Si3/c1-14(19-22(8,9)10,13(16)18-21(5,6)7)11-12(15)17-20(2,3)4/h11H2,1-10H3 |
analyte mass | |
chromatogram | 6046if_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) | 780.64 |
retention index (VAR5 method, n-alkanes C10–C36) | 1,465.23 (observed) |
base peak (m/z) | 73 |
maximal intensity | 1,963,515 |
mass-intensity-peaks cardinality | 511 intensities |
minimal m/z | 45 |
maximal m/z | 1,000 |
download JCAMP DX | SpectrumJcampDx.ashx?id=9ba5e57a-0948-4b1b-b0ec-47eb67c98d1a |
download MSP | SpectrumMsp.ashx?id=9ba5e57a-0948-4b1b-b0ec-47eb67c98d1a |
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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