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Replica Mass Spectra of Octadecadienoic acid, 9,12-(Z,Z)- (1TMS)
| replica | lib entry date | detection | method | species |
| 13 | 30 March 2011 | | Fiehn_GC_2010 | |
| 2 | 01 May 2001 | MS-TOF | M[EIGTMS] | Standard Addition |
| 14 | 28 August 2012 | | MassBank GC 2010 Kusano | |
| 3 | 19 July 2007 | MS-TOF | VAR5 | Reference Substance |
| 4 | 07 September 2004 | MS-Quad | M[2] | |
| 5 | 01 May 2001 | MS-TOF | M[EIGTMS] | Standard |
| 8 | 22 January 2005 | MS-QUAD | M[ROE] | |
| 9 | 01 May 2001 | MS-TOF | M[EIGTMS] | Solanum tuberosum |
| 10 | 01 August 2001 | MS-Quad | M[2] | Standard |
| 11 | 01 May 2003 | MS-Quad | M[2] | Spathodea campanulata P. Beauv. |
| 10 spectrum(a) |
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Spectrum Details
| analyte | Octadecadienoic acid, 9,12-(Z,Z)- (1TMS) |
| analyte InChI | InChI=1S/C21H40O2Si/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23-24(2,3)4/h9-10,12-13H,5-8,11,14-20H2,1-4H3/b10-9-,13-12- |
| analyte mass | 352.63 |
| chromatogram | NA(_43) |
| citation | |
| authors | Moritz T, Umea Plant Science Centre, Department of Forest Genetics and Plant Physiology, Swedish University of Agricultural Sciences, SE-901 83 Umea, Sweden |
| lib entry date | 25 January 2005 |
| metabolite role | METB |
| retention time (sec) | 377.9 |
| retention index (VAR5 method, n-alkanes C10–C36) | 2,209.71 (predicted, according to Strehmel, N. et.al) |
| base peak (m/z) | 75 |
| maximal intensity | 999 |
| mass-intensity-peaks cardinality | 201 intensities |
| minimal m/z | 50 |
| maximal m/z | 353 |
| download JCAMP DX | SpectrumJcampDx.ashx?id=a5b2d86c-234e-46d7-888d-9776545b15a7 |
| download MSP | SpectrumMsp.ashx?id=a5b2d86c-234e-46d7-888d-9776545b15a7 |
GC-Method
| name | M[MOR] |
| citation | Gullberg J, Jonsson P, Nordström A, Sjöström M, Moritz T (2004) Anal Biochem 331, 283-295 |
| attribute | text | details |
| deconvolution | ChromaTOF V1.00 (Pegasus Driver 1.61), LECO, St. Joseph, MI, USA | OFFSET:NA; SMOOTHING:NA; WIDTH:2; SN:>10 |
| derivatization | MEOX; TMS | METHOXYAMINATION: 60min60°C, 960min20°C; SILYLATION:>60min40°C |
| detector | MS-TOF | m/z:50-800; SCANS:30/s; Pegasus III TOF-MS; LECO, St. Joseph, MI, USA |
| extraction | methanol:chloroform:water (3:1:1; v/v/v) 15min at 60°C | |
| ion source | EI | 70eV |
| metabolic inactivation | cut; liquid nitrogen; -80°C | |
| partitioning | none | |
| RI | ALKANE | C12, C13, C14, C15, C16, C17, C18, C19, C20, C21, C22, C23, C24, C25 |
| separation | GC | COLUMN:5%diphenyl-95%dimethylpolysiloxane, 10m, ID:0.18mm, DF:0.18µm, DB-5-MS (J&W Scientific, Folsom, CA, USA); PROGRAM: iso 2min at 70°C, ramp 40°C/min, iso 1min at 320°C; FLOW:Helium, 1.0ml/min: INJECTION:1µL, splitless, 270°C; TRANSFER:250°C; IONSOURCE:200°C |
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