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Replica Mass Spectra of Quercetin (5TMS)
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Spectrum Details
| analyte | Quercetin (5TMS) |
| analyte InChI | InChI=1S/C30H50O7Si5/c1-38(2,3)33-22-19-25-27(26(20-22)36-41(10,11)12)28(31)30(37-42(13,14)15)29(32-25)21-16-17-23(34-39(4,5)6)24(18-21)35-40(7,8)9/h16-20H,1-15H3 |
| analyte mass | 663.14 |
| 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) | 494.8 |
| retention index (VAR5 method, n-alkanes C10–C36) | 3,175.86 (predicted, according to Strehmel, N. et.al) |
| base peak (m/z) | 73 |
| maximal intensity | 999 |
| mass-intensity-peaks cardinality | 126 intensities |
| minimal m/z | 53 |
| maximal m/z | 663 |
| download JCAMP DX | SpectrumJcampDx.ashx?id=df40529a-b1f8-4af7-980c-d76bfd62b480 |
| download MSP | SpectrumMsp.ashx?id=df40529a-b1f8-4af7-980c-d76bfd62b480 |
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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