MetaboLights

application/xml

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customized in-house database was established based on multi-species sources, literature data, partially available reference standards, and retention indices, which contained the determined retention times (RT) and the qualitative and quantitative ions for each compound. Selected ion monitoring (SIM) mode was employed for precise scanning, with one quantitative ion and two to three qualitative ions selected for each compound. All ions to be detected in each run were monitored in time-segmented windows according to their elution order. A compound was positively identified when its observed retention time matched the reference standard and all selected ions were present in the background-subtracted sample mass spectrum (Yuan et al., 2022; Yuan et al., 2024). The quantitative ions were then used for peak integration and calibration to enhance the accuracy of quantification.LC-MS:Metabolite identification was performed based on the PSNGM (PerSonalbio Next-Generation Metabolomics Database) database, which integrates an in-house standard compound library, the mzCloud library (https://www.mzcloud.org/), LIPID MAPS (https://www.lipidmaps.org/), HMDB (https://hmdb.ca/), MoNA (https://mona.fiehnlab.ucdavis.edu/), the NIST_2020_MSMS library, and an AI-predicted MS/MS spectral library. The main database search parameters were set as follows: MS1 tolerance for identification: 0.01; MS2 tolerance for identification: 0.05; smoothing level: 3; minimum peak height: 10,000; minimum peak width: 5; mass slice width: 0.05; and identification score cut-off: 70.MetaboLightsPublicLiquid Chromatography MS - negative - reverse-phaseGas Chromatography MS - positive - low-polarityLiquid Chromatography MS - positive - reverse-phaseLC-MS:Chromatographic separation was performed on an ACQUITY UPLC HSS T3 column (100 A, 1.8 um, 2.1 mm x 100 mm) at a flow rate of 0.4 mL/min, with the column temperature set to 40 C and the autosampler maintained at 8 C, and the injection volume was 2 uL. For both positive and negative ion modes, the mobile phase consisted of A (0.1% formic acid in water) and B (acetonitrile with 0.1% formic acid), and the gradient elution program was as follows: 0 min, 5% B; 1 min, 5% B; 4.7 min, 95% B; 6 min, 95% B; 6.1 min, 5% B; and 8.5 min, 5% B.GC-MS:Separation was performed on a DB-5MS capillary column (30 m x 0.25 mm x 0.25 um, Agilent J&W Scientific, Folsom, CA, USA). High-purity helium (purity >= 99.999%) was used as the carrier gas at a constant flow rate of 1.2 mL/min. The injector temperature was set to 250 C, and the solvent delay was 3.5 min. The column oven temperature program was as follows: initial temperature of 40 C held for 3.5 min, then ramped to 100 C at 10 C/min, further ramped to 180 C at 7 C/min, and finally ramped to 280 C at 25 C/min and held for 5 min.Impacts of fixation processing workflows on the volatile and non-volatile metabolomic profiles of Gougunao green tea.Jinggangshan UniversityJie Zhouleafmass spectrometry assayLC-MS:After thawing, vortex the sample to mix thoroughly. Transfer 2 mL of the sample to a 15 mL centrifuge tube, snap-freeze in liquid nitrogen, and then lyophilize using a freeze dryer.Add 1 mL of pre-chilled methanol : acetonitrile (1:1, v/v), and vortex for 30 s.Place the tube in a -20 C freezer for 30 min.Centrifuge at 12,000 rpm and 4 C for 10 min. Transfer 850 uL of the supernatant to a new tube and evaporate to dryness under vacuum.Reconstitute the residue with 150 uL of 50% methanol containing 5 ppm 2-chlorophenylalanine, and vortex for 30 s.Centrifuge at 12,000 rpm and 4 C for 10 min. Pass the supernatant through a 0.22 um filter membrane, and transfer the filtrate into a sample vial for analysis.Pool 10-20 uL of each sample filtrate to prepare one QC sample, which is used to evaluate instrument stability and data reliability. QC samples are not required when there are 5 or fewer samples (including 5).GC-MS:(1) Remove samples from the -80 C freezer and thaw on ice. Vortex to mix thoroughly, then transfer 1 mL of each sample into a headspace vial.(2) Add 1 mL of saturated NaCl solution and 20 uL of internal standard solution (10 ug/mL) to each vial.(3) Perform sample extraction using fully automated headspace solid-phase microextraction (HS-SPME) for subsequent GC-MS analysis.The samples were equilibrated at a constant temperature of 60 C with shaking for 5 min, followed by headspace solid-phase microextraction using a 120 um DVB/CWR/PDMS fiber, which was inserted into the headspace vial and exposed for 15 min. The extracted analytes were then desorbed at 250 C for 5 min prior to GC-MS separation and identification. Before sampling, the fiber was preconditioned in the Fiber Conditioning Station at 250 C for 5 min; for a new fiber, an additional 2-h aging step was performed in the Fiber Conditioning Station prior to its first use. Notably, the SPME Arrow was employed in this study, which provides up to 10-fold higher sensitivity compared to conventional SPME fibers.Camellia sinensishttps://www.ebi.ac.uk/metabolights/MTBLS15065Jie Zhou. Jinggangshan University. 13283139683@163.com.Huimin Sun. Jinggangshan University. jgsdxzwzy@hotmail.com.LC-MS:The acquired .raw data files were imported into MS-DIAL software (version 4.9.221218) for subsequent data processing, including peak extraction, alignment, filtering, and metabolite identification. Peaks that were not detected in more than 50% of the QC samples were filtered out. Missing values were imputed using the Gap Filling algorithm implemented in the software, followed by data normalization.GC-MS:Based on the all_sample_data_raw.xlsx file, missing values were first imputed using one-fifth of the row-wise minimum value (i.e., 1/5 of the minimum abundance of each metabolite across all samples). Subsequently, the coefficient of variation (CV) of each metabolite in the QC samples was calculated, and only those metabolites with a CV of less than 0.5 were retained, yielding the final data file all_sample_data.xlsx.Treatment13283139683@163.comFresh leaves of Gougunao tea (Camellia sinensis cv. 'Gougunao No. 2') were collected from the Gougunao Tea Garden in Suichuan County, Jiangxi Province, China (26°15′N, 114°10′E). The leaves were harvested in mid-April according to a one-bud-two-leaf plucking standard. All four fixation processing workflows (M1–M4) were applied to a single homogeneous batch of fresh leaves to minimize raw-material variation among treatments.MetabolomicsGougunao teapooled quality control sampleMetabolomicstargeted analysisfixation processing workflowuntargeted analysisAgilent 7000D Triple QuadrupoleThermo Scientific Vanquish Flex UHPLC SystemThermo Scientific Orbitrap Exploris 120leafuntargeted metabolite profilingexperimental sampleCamellia sinensisVolatile Organic CompoundsAgilent 8890 GCGougunao teapooled quality control sampleMetabolomicstargeted analysisfixation processing workflowuntargeted analysisAgilent 7000D Triple QuadrupoleThermo Scientific Vanquish Flex UHPLC SystemThermo Scientific Orbitrap Exploris 120leafuntargeted metabolite profilingexperimental sampleCamellia sinensisVolatile Organic CompoundsAgilent 8890 GCLC-MS:Mass spectrometry data were acquired using a Thermo Orbitrap Exploris 120 mass spectrometer controlled by Xcalibur software (version 4.7, Thermo). Data-dependent acquisition (DDA) was performed in both positive and negative ion modes using a HESI source with spray voltages of 3.5 kV and –3.0 kV for positive and negative modes, respectively. The sheath gas and auxiliary gas were set to 40 arb and 10 arb, respectively; the capillary temperature was 320 °C and the auxiliary gas temperature was 300 °C. Full MS scans were acquired at a resolution of 60,000 over a mass range of 70–1000 m/z, with AGC Target set to Standard and maximum injection time (Max IT) of 100 ms. The top 4 most intense precursor ions were selected for MS/MS fragmentation, with dynamic exclusion set to 4 s. MS/MS spectra were acquired at a resolution of 15,000, HCD collision energy of 30%, AGC Target set to Standard, and Max IT set to Auto. All formal samples and QC samples were analyzed under the chromatographic and mass spectrometric conditions described above. Before the official run, 2–4 QC injections were performed to equilibrate the system. During the analytical sequence, one QC sample was injected every 5–10 samples. For batches with 5 or fewer samples (including 5), QC samples were not required. The acquired QC data were used for subsequent data evaluation and quality control assessment. GC-MS:Electron impact (EI) ionization source was employed with the ion source temperature set to 230 °C, the quadrupole temperature at 150 °C, and the MS transfer line temperature at 280 °C. The electron energy was 70 eV, and the acquisition was performed in selected ion monitoring (SIM) mode for precise scanning of qualitative and quantitative ions, following the method specified in GB 23200.8-2016.Geranyl isovalerate2-Nonen-1-ol2-Decanol2,6-Dimethyl-1-nonen-3-yn-5-ol2-Acetyl-5-methylthiopheneNaphthalene, 1-nitro-Caprolactam1,4-Methano-1H-Cyclopropa[d]pyridazine, 4,4a,5,5a-tetrahydro-6,6-dimethyl-, (1.alpha.,4.alpha.,4a.alpha.,5a.alpha.)-2-Naphthalenemethanol, 2,3,4,4a,5,6,7,8-octahydro-.alpha.,.alpha.,4a,8-tetramethyl-, [2R-(2.alpha.,4a.beta.,8.beta.)]-Cyclohexene, 4-methyl-1-(1-methylethenyl)-Acetamide, N-(aminothioxomethyl)-trans-Linalool oxide (furanoid)Hexadecane, 4-methyl-Heptanoic acid, ethyl ester3-Mercaptohexyl acetate2,4,5,7-TetrathiaoctaneCyclohexanamine, N-cyclohexyl-3-Hexen-1-ol, (Z)-2-Hexyl-1-octanolPhenol, 3,5-dimethyl-Ethyl 9-hexadecenoate.beta.-AsaroneBenzeneacetaldehyde, .alpha.-(2-methylpropylidene)-Sparteine4-Hexen-1-ol, acetatetrans-2-Decenoic acidAcetic acid, cyano-, 2-methoxyethyl ester4-Decenal, (E)-Citronellol2-OctanoneLinalool2-Naphthalenol, 1,2,3,4,4a,5,6,7-octahydro-2,5,5-trimethyl-Benzoic acid, 4-nitro-(E)-2-Methylbut-2-en-1-yl methacrylateDi-epi-.alpha.-cedrenePyrazine, 3-ethyl-2,5-dimethyl-2-PiperidinimineMegastigmatrienone11-Tetradecen-1-ol, (E)-2-Cyclohexen-1-ol, 3-methyl-6-(1-methylethyl)-, trans-2,7-Octadiene-1,6-diol, 2,6-dimethyl-, (E)-Picolinamide1,3,8-p-Menthatriene1-Undecanol3-Cyclohexene-1-acetaldehyde, .alpha.,4-dimethyl-Isobornyl propionateButanoic acid, 1-methyloctyl esterIsoelemicinCyclohexane, 1-ethenyl-1-methyl-2,4-bis(1-methylethenyl)-, [1S-(1.alpha.,2.beta.,4.beta.)]-S-Methyl 3-methylbutanethioatePyrazine, 2-butyl-3,5-dimethyl-cis-.alpha.-BergamoteneTridecane, 4,8-dimethyl-1-Methyl-4-(6-methylhept-5-en-2-yl)cyclohexa-1,3-diene3,7-Octadiene-2,6-diol, 2,6-dimethyl-2-Naphthalenemethanol, 1,2,3,4,4a,5,6,8a-octahydro-.alpha.,.alpha.,4a,8-tetramethyl-, [2R-(2.alpha.,4a.alpha.,8a.beta.)]-Ethyl cyclopropanecarboxylate6-Octen-1-ol, 3,7-dimethyl-, (R)-2-Methylbutanoic anhydride1-Cyclohexene-1-acetaldehyde, 2,6,6-trimethyl-KessaneTridecane1H-1,2,4-Triazole, 3-chloro-Benzoic acid, 3-hydroxy-, methyl esterCaffeic acidBenzoic acid, 4-methoxy-, ethyl ester2-Furanpropanoic acid, ethyl ester2,4-DimethyldodecaneIsophorone1-Octanamine, N-methyl-4-Methyl-5-nonanoneHexahydro-3-butylphthalide3-Hexene, 1,1'-[ethylidenebis(oxy)]bis-, (Z,Z)-SalicylamideLidocaine1,3-Cyclohexadiene-1-carboxaldehyde, 2,6,6-trimethyl-4-Heptanol, 3-methyl-Heptadecane, 3-methyl-3,7-Cyclodecadien-1-one, 3,7-dimethyl-10-(1-methylethylidene)-, (E,E)-Phenol, 2-methyl-5-(1-methylethyl)-5-Thiazoleethanol, 4-methyl-Phenol, 2,4-dichloro-5-Nonen-2-one5-EthylhydantoinOctane, 1-iodo-Ethyl (E)-2-octenoateBenzene, (2-methyl-1-propenyl)-4,5-(Decamethylene)thiazolePentanoic acid, pentyl esterBenzoic acid, 2-amino-, butyl ester5-Heptenal, 2,6-dimethyl-4-OxodecanalUndecane, 3,4-dimethyl-2,6-Octadien-1-ol, 3,7-dimethyl-Cyclohexane, nitro-Bicyclo[3.1.0]hex-2-ene, 4-methyl-1-(1-methylethyl)-Benzenemethanol, .alpha.-2-cyclohexen-1-yl-Propanoic acid, 2-methyl-, 3-hydroxy-2,2,4-trimethylpentyl esterBenzeneacetic acid, 4-(1,1-dimethylethyl)-, methyl ester(E)-5-((1R,3R,6S)-2,3-Dimethyltricyclo[2.2.1.02,6]heptan-3-yl)-2-methylpent-2-enalAminopyrine(-)-CarvoneCyclohexanol, 5-methyl-2-(1-methylethenyl)-d-Menthol4-tert-Butylcyclohexyl acetate2-Bromo dodecane5-Phenyl-o-anisidineButanoic acid, 3-methyl-, 2-methylbutyl esterD-Limonene2,5-Furandione, dihydro-3-methyl-Phenol, 2-methoxy-4-(2-propenyl)-, acetate10-UndecenalUrea, N,N'-diethyl-1,2,4-Trithiolane, 3,5-dimethyl-2-Buten-1-one, 1-(2,6,6-trimethyl-1,3-cyclohexadien-1-yl)-, (E)-6-Nonenal, (Z)-Paramethadione1-Tetradecanol2,4,6-Cycloheptatrien-1-one, 2-hydroxy-4-(1-methylethyl)-Benzaldehyde, 4-methoxy-Propanoic acid, 2-methyl-, 3,7-dimethyl-2,6-octadienyl ester, (Z)-Benzaldehyde, 3-methyl-2,4-Imidazolidinedione, 1-methyl-NeointermedeolTrisulfide, methyl propyl3,5-Dimethoxy-4-hydroxytoluene5-Isoxazolecarboxylic acid, 4,5-dihydro-5-methyl-, methyl ester, (R)-Ethyl mandelateMexiletinecis-.beta.-Farnesene2,7-Octadiene-1,6-diol, 2,6-dimethyl-Naphthalene, 1,2-dihydro-1,1,6-trimethyl-Butabarbital2-Oxopentanedioic acid1,4-Methano-1H-indene, octahydro-4-methyl-8-methylene-7-(1-methylethyl)-, [1S-(1.alpha.,3a.beta.,4.alpha.,7.alpha.,7a.beta.)]-1,3-Benzodioxole, 2-acetyl-4-methoxy-2-methyl-3-Hexen-1-olCarvenone2-Decenal, (E)-CitralNaphthalene, 1-methyl-2,4-Octadienal, (E,E)-4-tert-Butyl-2-chlorophenol(3R,3aR,3bR,4S,7R,7aR)-4-Isopropyl-3,7-dimethyloctahydro-1H-cyclopenta[1,3]cyclopropa[1,2]benzen-3-olPentanoic acid, 2-methyl-2-Ethylhexyl methacrylate1H-Indole-2,3-dione, 1-acetyl-Triethylene glycolPyrazine, 2-ethyl-3,5-dimethyl-Cyclohexanol, 1-methyl-4-(1-methylethylidene)-Ethanone, 1-(2,4-dimethylphenyl)-1-Nonene, 4,6,8-trimethyl-5-HydroxymethylfurfuralTetradecane, 4-methyl-Carvone oxide, cis-Pentadecane, 2-methyl-2(3H)-Furanone, dihydro-3-hydroxy-4,4-dimethyl-, (.+/-.)-Di-epi-.alpha.-cedrene-(I)(1S,4aS,4bS,7S,8aS,10aS)-7-Isopropyl-1,4a-dimethyltetradecahydrophenanthreneBenzenepropanenitrile1-Hexanol, 3,5,5-trimethyl-2-DodecanoneBenzene, 1,3-dimethyl-Muurola-4,10(14)-dien-1.beta.-olDodecane, 1-iodo-2-Octenoic acid, (E)-Terephthalic acidPyrazine, tetramethyl-Pentadecane, 2,6,10-trimethyl-Methenamine2-Tridecen-1-ol, (E)-Undecane, 4-methyl-Indan, 1-methyl-1H-Imidazole-4-methanol3,7-Nonadien-2-one, 8-methyl-, (E)-Undecane, 5,7-dimethyl-Benzaldehyde, 3,4-dimethoxy-Isopropylurea2-Butanone, 4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-Isoamyl laurate2-Nonenal, (Z)-trans,cis-2,6-Nonadienyl acetateThiophene, 2-butyl-Thiophene, 2-dodecyl-HexamethylenimineDecane, 2,3,6-trimethyl-Cyclopentanone, 3-methyl-MeperidineBenzeneacetic acid, 2-phenylethyl esterFormic acid, pentyl ester1H-Benzocycloheptene, 2,4a,5,6,7,8-hexahydro-3,5,5,9-tetramethyl-, (R)-.delta.-Dodecalactone2-Acetoxyacetophenone.alpha.-Cadinol1-Butanol, 2-methyl-, propanoateDodecane, 4-methyl-3-NonanolNoruronAminopyrazine(+)-epi-BicyclosesquiphellandreneEthanol, 2-phenoxy-, propanoateNaphthalene, 1,2,4a,5,6,8a-hexahydro-4,7-dimethyl-1-(1-methylethyl)-,[1R-(1.alpha.,4a.alpha.,8a.alpha.)]-2-Hydroxyoctanoic acidcis-3-HexenyllactateButane, 1,1'-oxybis[4-chloro-2-Methyl-6-methyleneocta-2,7-dien-4-oneBenzeneacetic acid, 2-hydroxy-(3R,3aR,7S,8aS)-3,6,8,8-Tetramethyl-4,7,8,8a-tetrahydro-1H-3a,7-methanoazulen-2(3H)-one2,6-Piperidinedione, 3-ethyl-trans-.beta.-OcimenePargyline2-UndecanoneBenzeneacetaldehyde, .alpha.-methyl-4-(2-methylpropyl)-Phenol, 2,4-bis(1-methylethyl)-Phenol, 4-(1,1,3,3-tetramethylbutyl)-2(3H)-Furanone, 5-butyldihydro-Benzaldehyde, 2-methoxy-Piperonyl isobutyrate1-Undecanamine1,2-Benzenediol, 4-methyl-9-Decen-2-oneCyclotridecanonePropanoic acid, 2-methyl-, octyl ester2-Methyl-3-propylpyrazine(1S,4aR,7R)-1,4a-Dimethyl-7-(prop-1-en-2-yl)-1,2,3,4,4a,5,6,7-octahydronaphthaleneNaphthalene, 1,2,4a,5,6,8a-hexahydro-4,7-dimethyl-1-(1-methylethyl)-, (1.alpha.,4a.alpha.,8a.alpha.)-9-Oxononanoic acidHygrine2,6-Octadien-1-ol, 3,7-dimethyl-, (Z)-Naphthalene, 1,2,3,5,6,7,8,8a-octahydro-1,8a-dimethyl-7-(1-methylethenyl)-, [1S-(1.alpha.,7.alpha.,8a.alpha.)]-Pyridine, 3-methyl-4-(3,4-Methylenedioxyphenyl)-2-butanoneUndecane, 4,4-dimethyl-(Z)-2,6-Dimethylocta-2,5,7-trien-4-oneGeranic acidEthanone, 1,1'-(1,4-phenylene)bis-3-Carene1H-Tetrazole-1,5-diamineAcetaldehyde, (3,3-dimethylcyclohexylidene)-, (Z)-1,10-Undecadiene(+)-3-CareneBenzenemethanol, 4-methyl-.alpha.-(1-methyl-2-propenyl)-, (R*,R*)-dl-Menthol(1S,4S,4aS)-1-Isopropyl-4,7-dimethyl-1,2,3,4,4a,5-hexahydronaphthalene(1R,3aS,4aS,8aS)-1,4,4,6-Tetramethyl-1,2,3,3a,4,4a,7,8-octahydrocyclopenta[1,4]cyclobuta[1,2]benzenePropylthiouracil(1S,5S)-2-Methyl-5-((R)-6-methylhept-5-en-2-yl)bicyclo[3.1.0]hex-2-eneN-Nitrosodiphenylamine3,5-Octadien-2-oneCyclohexanol, 2,6-dimethyl-Butanoic acid, 3-methyl-, phenylmethyl ester2-Buten-1-one, 1-(2,6,6-trimethyl-1-cyclohexen-1-yl)-1H-Cycloprop[e]azulene, decahydro-1,1,4,7-tetramethyl-, [1aR-(1a.alpha.,4.beta.,4a.beta.,7.beta.,7a.beta.,7b.alpha.)]-1H-Indene, 1-ethylidene-2,4-Nonadienal, (E,E)-2-Furancarbothioic acid, S-methyl esterFormamide, N-cyclohexyl-cis-2,6-Dimethyl-2,6-octadieneButanoic acid, 2-hydroxy-Oxirane, tetradecyl-2-Nonenal3-Hexen-1-ol, (E)-Bicyclo[3.1.1]heptane, 6-methyl-2-methylene-6-(4-methyl-3-pentenyl)-, [1R-(1.alpha.,5.alpha.,6.beta.)]-2-Octenoic acidBicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, formate, endo-2-Epi-.alpha.-funebreneNonane, 4,5-dimethyl-2-Octenal, (E)-.alpha.-CupreneneCreosolCitronellyl valerate2-Hexanone, 4-methyl-Cyclohexanemethanol, .alpha.,.alpha.-dimethyl-4-methylene-Maleic hydrazideBenzenemethanol, .alpha.-2-propenyl-Butanoic acid, 3-methyl-, hexyl esterTaurineBenzoic acid, 2-hydroxy-, butyl ester(E)-2,6-Dimethylocta-3,7-diene-2,6-diolSpiro[4.5]decan-7-one, 1,8-dimethyl-4-(1-methylethyl)-2-Butanone, 4-(2,6,6-trimethyl-1,3-cyclohexadien-1-yl)-Benzenamine, 2-methyl-3,5-dinitro-Pyridine, 3-propyl-Fenchone6-Methyl-3,5-heptadiene-2-one1-Cyclohexene-1-carboxaldehyde, 4-(1-methylethyl)-2-UndecenalCyclododecanone2(1H)-Naphthalenone, 3,4,4a,5,6,7-hexahydro-1,1,4a-trimethyl-8-Azabicyclo[3.2.1]octan-3-ol, 8-methyl-, endo-Butyl myristate1-Decen-3-oneDodecane, 5-methyl-2-Propyl-4-methylthiazoleTrigonelline6-Nonenal, (E)-Carbamic acid, methyl-, 3-methylphenyl esterButanoic acid, 2-methyl-, 2-phenylethyl esterEthanone, 1-(3-methylphenyl)-Furfuryl hexanoate3-Cyclohexene-1-carboxaldehyde, 4-(4-hydroxy-4-methylpentyl)-Butanoic acid, 2-methyl-5-oxo-1-cyclopenten-1-yl esterNaphthalene, 1,2,3,5,6,8a-hexahydro-4,7-dimethyl-1-(1-methylethyl)-, (1S-cis)-.alpha.-PhellandreneEthanone, 1-(2,4-dihydroxyphenyl)-Benzeneacetaldehyde, 4-methyl-Hexanoic acid, 3,7-dimethyl-2,6-octadienyl ester, (E)-Butanoic acid, 2-methyl-, hexyl ester2-Oxepanone, 7-butyl-2,6-Octadienoic acid, 3,7-dimethyl-, methyl esterHibaenePhenol, 3-ethyl-5-methyl-1,7-Nonadiene, 4,8-dimethyl-1H-Imidazole, 2-methyl-Pyrrolidine, 1-acetyl-2-Propenoic acid, 2-methyl-, 1,2-ethanediyl esterTricyclo[2.2.1.0(2,6)]heptane, 1,7-dimethyl-7-(4-methyl-3-pentenyl)-, (-)-5-Cyclohexadecen-1-one1,2,3-Propanetriol, 1-acetateBicyclosesquiphellandrene2-Butenoic acid, 2-methyl-, 2-methylpropyl ester, (E)-Octanedioic acid2-Benzofurancarboxylic acid, 2,4,5,6,7,7a-hexahydro-4,4,7a-trimethyl-, methyl ester, cis-2(1H)-Pyridinone, 3-acetyl-4-hydroxy-6-methyl-Isophytol6-Octen-1-ol, 7-methyl-3-methylene-Butylated HydroxytolueneNaphthalene, 2-methyl-p-Mentha-1,8-dien-7-olButanoic acid, 3-methyl-(3aR,6R,8aR)-7,7-Dimethyl-8-methylenehexahydro-1H-3a,6-methanoazulen-3(2H)-one1,6,10-Dodecatrien-3-ol, 3,7,11-trimethyl-Tetradecane2(3H)-Furanone, dihydro-4-methyl-5-pentyl-2,6,10-TrimethyltridecaneButanoic acid, 2-pentenyl ester, (Z)-Butanoic acid, 2-methyl-, 3,7-dimethyl-2,6-octadienyl ester, (E)-Heptanedioic acid7-Oxabicyclo[4.1.0]heptane2(5H)-Furanone, 5-ethyl-3-Nonen-5-one3-Hexanone, 1-phenyl-N-(2-Hydroxyethyl)lactamide1,6-Octadiene, 3,7-dimethyl-2-Octanol, (S)-1,3-Benzenediol, 4,5-dimethyl-Pentanoic acid, butyl ester2-Butanethiol, 3-methyl-Octadecane, 1-chloro-DodecanenitrileCyclopentanone, 2-methyl-n-Capric acid isobutyl esterCreatineBenzenemethanol, .alpha.-ethyl-.beta.-Pinene2-Cyclopenten-1-one, 3-ethyl-2-hydroxy-1,3-Benzodioxole, 4,5-dimethoxy-6-(2-propenyl)-6-Undecanol3,4-Dimethyl-1,2-cyclopentadione(E)-1-Methyl-4-(6-methylhept-5-en-2-ylidene)cyclohex-1-eneHexadecane, 7,9-dimethyl-2,4-Decadienoic acid, ethyl ester, (E,Z)-Ethanone, 1-(4-methylphenyl)-ApiolDaucol3-Furancarboxylic acid.beta.-Ocimene3-Pentanol, 2-methyl-2-HexenalPhenol, 4-methyl-2-nitro-2-Hydroxy-3,5-dimethylcyclopent-2-en-1-one2,6-Dodecadien-1-alS-Ethyl ethanethioate2-Cyclohexen-1-one, 3-methyl-(Z)-1-Methyl-4-(6-methylhept-5-en-2-ylidene)cyclohex-1-ene2,6-Dimethoxyamphetamine2-Ethylhexyl 2-ethylhexanoate3-Hexanone-2,2,4,4-d42-Tetradecene, (E)-cis-Muurola-4(15),5-diene1,3-Phenylenediamine6-UndecanonePentadecanal-Pyrazine, 2,5-diethyl-1-DecanolDispiro[1,3-dioxolane-2,2'-bicyclo[2.2.1]heptane-3',2''-(1'',3''-dioxolane)], 4',7',7'-trimethyl-1.2-diacetylhydrazineEthanone, 1-(2-methyl-1-cyclopenten-1-yl)-1,6,10-Dodecatriene, 7,11-dimethyl-3-methylene-Naphthalene, 2,3,6-trimethyl-Benzoic acid, 2-hydroxy-, 2-methylpropyl esterPropanoic acid, 2-acetylhydrazono-.tau.-CadinolUndecane, 5-methyl-Homovanillic acid1,2,4-Metheno-1H-indene, octahydro-1,7a-dimethyl-5-(1-methylethyl)-, [1S-(1.alpha.,2.alpha.,3a.beta.,4.alpha.,5.alpha.,7a.beta.,8S*)]-trans-Geranic acid methyl ester2,3-Dimethyl-5-ethylpyrazinen-Amyl isovalerateBenzaldehyde, 4-ethyl-2,6-Dimethyldecane1-Octen-1-ol, acetate1H-Indole-3-acetic acid, ethyl esterCyclopenta[g]-2-benzopyran, 1,3,4,6,7,8-hexahydro-4,6,6,7,8,8-hexamethyl-cis-.alpha.-BisaboleneAzulene, 1,2,3,3a,4,5,6,7-octahydro-1,4-dimethyl-7-(1-methylethenyl)-, [1R-(1.alpha.,3a.beta.,4.alpha.,7.beta.)]-(E)-Tetradec-2-enal7,9-Di-tert-butyl-1-oxaspiro(4,5)deca-6,9-diene-2,8-dioneButanoic acid, 3-methyl-, 3,7-dimethyl-2,6-octadienyl ester, (Z)-Heptanoic acid, anhydride1-PhenylcyclohexylamineCyclohexane, 1-ethenyl-1-methyl-2,4-bis(1-methylethenyl)-, (1.alpha.,2.beta.,4.beta.)-Butanal, 3-hydroxy-Dodecane1H-Cycloprop[e]azulene, 1a,2,3,5,6,7,7a,7b-octahydro-1,1,4,7-tetramethyl-, [1aR-(1a.alpha.,7.alpha.,7a.beta.,7b.alpha.)]-Pentanoic acid, phenylmethyl ester4-Isopropyl-1,3-cyclohexanedioneHydrazinecarboxamideButyramide, 2-cyano-2-ethyl-Phenol, m-tert-butyl-Cyclohexanol, 3,5-dimethyl-2-Cyclohexen-1-ol, 1-methyl-4-(1-methylethenyl)-, trans-Ethylbenzene2H-Pyran-2-one, 5,6-dihydro-6-pentyl-Phenol, p-tert-butyl-Isopentyl hexanoate1-Nonen-3-one2-Propenoic acid, 3-phenyl-, cyclohexyl esterEthyl nicotinateAscaridole3-DecanoneButanoic acid, 3-methyl-, 2-furanylmethyl esterBenzenemethanol, .alpha.-methyl-Butanoic acid, 4-hexenyl ester, (Z)-2-AzacyclooctanoneCyclohexene, 1-methyl-4-(1-methylethenyl)-, (S)-Biuret, 1-[(dimethylamino)methylene]-Aminothiazole(5R,6R)-3,6-Dimethyl-5-(prop-1-en-2-yl)-6-vinyl-6,7-dihydrobenzofuran-4(5H)-oneCubenol(1R,9R,E)-4,11,11-Trimethyl-8-methylenebicyclo[7.2.0]undec-4-ene1H-Pyrazole, 1,3,5-trimethyl-Salvial-4(14)-en-1-one3-Acetyl-2,5-dimethyl furan4-VinylphenolUndecanol-4Butanoic acid, 2-methyl-, 3,7-dimethyl-2,6-octadienyl ester, (Z)-Undecane, 4,7-dimethyl-2-Octen-4-oneFenobucarbGoitrinNaphthalene, 1,2,4a,5,8,8a-hexahydro-4,7-dimethyl-1-(1-methylethyl)-, [1S-(1.alpha.,4a.beta.,8a.alpha.)]-4-(4-Methylpent-3-enyl)-3,6-dihydro-1,2-dithiin.alpha.-Methylstyrenecis-p-Mentha-2,8-dien-1-olUndecane, 2,5-dimethyl-Pyrazine, 5-butyl-2,3-dimethyl-Benzoic acid, 3-methoxy-2-OctanolUndecane, 4,8-dimethyl-9-Decenoic acidPhenol, 2,2'-methylenebis-Non-8-enalDodecane, 4,6-dimethyl-Benzaldehyde, 2-ethyl-3,4-Dimethoxytoluene4-Undecene, 3-methyl-, (Z)-Benzoic acid, 2,4-dimethoxy-Pentylenetetrazol5-Aminovaleric acidCyclohexene, 1-methyl-5-(1-methylethenyl)-, (R)-2-Naphthalenemethanol, decahydro-.alpha.,.alpha.,4a-trimethyl-8-methylene-, [2R-(2.alpha.,4a.alpha.,8a.beta.)]-[1,1'-Bicyclopentyl]-2-oneBenzene, 1,2,3,4-tetramethyl-Thiazole, 4-butyl-2,5-dimethyl-CeteneDecanePropylparaben2,4-Cycloheptadien-1-one, 2,6,6-trimethyl-n-PentylpyrazineTetradecane, 2,6,10-trimethyl-2,6,10-Dodecatrienoic acid, 3,7,11-trimethyl-, methyl ester, (E,E)-4-(p-Acetoxyphenyl)-2-butanone(3E,7E)-1,5,5,8-Tetramethylcycloundeca-3,7-dienolCycloundecanone2-Nonanone, 3-(hydroxymethyl)-2-Octenoic acid, ethyl esterp-Xylene1-Pentanone, 1-(2-furanyl)-Diethyl PhthalatePhenol, 3,4-dichloro-Pentanoic acid, 4-methyl-Phenol, 3,5-dichloro-1H-Tetrazol-5-amineYlangenePhenol, 3-(ethylamino)-4-methyl-2-AcetylpyrrolidineDecane, 3-ethyl-3-methyl-Undecane, 2,4-dimethyl-Carvone2-Picoline, 6-nitro-L-FenchonePhenylethyl salicylate3-Hexen-1-ol, propanoate, (Z)-2,7-Octadiene-1,6-diol, 2,6-dimethyl-, (Z)-(Z,Z)-3,6-Nonadienal1-Hepten-6-one, 2-methyl-Pentanoic acid, 3,7-dimethyl-2,6-octadienyl ester, (E)-Nonane, 5-(2-methylpropyl)-Ethanol, 2-(4-chlorophenyl)amino-2-MercaptobenzothiazolePhenol, 2,4,5-trimethyl-(S)-(+)-alpha-Phellandrene2(3H)-Furanone, 5-ethyldihydro-Ethanone, 1-(4-hydroxy-3-thienyl)-Benzeneethanol, .alpha.-methyl-1,5-Diazabicyclo[3.1.0]hexaneAcetic acid, decyl ester4H-Inden-4-one, 1,2,3,5,6,7-hexahydro-1,1,2,3,3-pentamethyl-2-Octenal, 2-butyl-m-Nitroaniline1-Tetradecene2H-Pyran-2-one, tetrahydro-6-nonyl-1-Butanone, 1-(2-furanyl)-1-(2-Hydroxyethyl)-1,2,4-triazole6-Octen-1-ol, 3,7-dimethyl-, propanoateAcetylpyrazine8-Dodecen-1-ol, (Z)-5-Nonanol2-Nonenal, (E)-Cyclohexane, 1-ethyl-2-propyl-Citronellyl butyrateHotrienol3,5-Octadien-2-one, (E,E)-FenoprofenPyrazine, (2-methylpropyl)-Camphenone, 6-Butanoic acid, 3-hexenyl ester, (E)-2-Butenedioic acid (Z)-, diethyl esterThiourea, N,N'-diethyl-Cycloheptanone, 3-methyl-DiisopropanolaminePropanoic acid, 2-methyl-, 2-methylbutyl ester5H-5-Methyl-6,7-dihydrocyclopentapyrazine2-Furanmethanol, tetrahydro-, acetate5-Hexyl-5-methyloxolan-2-onePyrazine, 2-methoxy-5-(2-methylpropyl)-2,4-Heptadienal, (E,E)-Naphthalene, 1,2,3,5,6,7,8,8a-octahydro-1,8a-dimethyl-7-(1-methylethenyl)-, [1R-(1.alpha.,7.beta.,8a.alpha.)]-2,6,10-Dodecatrienal, 3,7,11-trimethyl-1,3-Cyclohexadiene, 5-(1,5-dimethyl-4-hexenyl)-2-methyl-, [S-(R*,S*)]-Butanoic acid, 3-hexenyl ester, (Z)-Ethanone, 1-(2-thienyl)-.tau.-Muurolol(5a.alpha.,9a.beta.,9b.beta.)-5,5a,6,7,8,9,9a,9b-octahydro-6,6,9a-trimethylnaphtho[1,2-c]furan-1-(3H)-one (drimenin)Butanoic acid, decyl ester3,5-DimethyldodecaneNicotine, 1'-demethyl-, (.+/-.)-2-Sec-ButylcyclohexanoneS-Methyl pentanethioatecis-4-DecenalPhenol, 4-(3-hydroxy-1-propenyl)-1-OctanolHeptanoic acid, butyl ester2-Butenal, 2-methyl-4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-Phenol, 3-ethyl-Benzene, 1-ethenyl-4-methoxy-1H-Pyrrolizine-1-methanol, hexahydro-7-hydroxy-, [1S-(1.alpha.,7.alpha.,7a.beta.)]-Quinoline, 2,7-dimethyl-Butanoic acid, butyl ester4-Heptanol, 2,6-dimethyl-, acetateCyclohexanol, 5-methyl-2-(1-methylethyl)-, [1S-(1.alpha.,2.alpha.,5.beta.)]-1-Penten-3-one, 4-methyl-1-(1-piperidinyl)-1,2,4,5-Tetrazine-3,6-diamineUrea2(1H)-Pyridinone, 1-cyclohexyl-3,4,5,6-tetramethyl-Pyrazine, 2-methyl-6-propyl-2-Pyrrolidinemethanamine, N-methyl-, (S)-IsophthalaldehydeFormic acid, 2-phenylethyl ester2-Nonen-1-ol, (E)-Butanoic acid, 3-methyl-, 1-ethenyl-1,5-dimethyl-4-hexenyl esterCyclohexanecarboxylic acid, 1-amino-CopaeneResorcinol monoacetate(2R,8R,8aS)-8,8a-Dimethyl-2-(prop-1-en-2-yl)-1,2,3,7,8,8a-hexahydronaphthalene1-Hexadecanol2-HexadecanolUrea, 2-propenyl-3-UndecanoneCannabinol.alpha.-FarneseneAcetic acid, 1,7,7-trimethyl-bicyclo[2.2.1]hept-2-yl esterNonane, 2-methyl-5-propyl-Naphthalene, decahydro-Decane, 1-iodo-3-Buten-2-one, 4-(2,2,6-trimethyl-7-oxabicyclo[4.1.0]hept-1-yl)-Bicyclo[3.2.1]oct-2-ene, 3-methyl-4-methylene-Cyclohexanemethanol, .alpha.,.alpha.,4-trimethyl-1,2-Ethanediol, monobenzoateGeraniolLevomenthol1H-Pyrrole-2-carboxylic acid1-((1S,3aR,4S,7R,7aR)-3a,7a-Dimethyloctahydro-1H-4,7-methanoinden-1-yl)ethanonecis-3-Hexenyl phenyl acetate1,1'-Biphenyl, 3-methyl-Pyridine, 2,3,4,5-tetrahydro-6-propyl-1,3-Cyclopentanedione, 2-acetyl-4-methyl-Thiophene, 2,3-dihydro-5-methyl-Tartronic acidBenzyl Benzoatetrans-.alpha.-BergamoteneBenzoic acid, 4-amino-, methyl esterCyclohexanone, 2-methyl-5-(1-methylethenyl)-, trans-2-Piperidinone, 6-methyl-Ethyl hydrogen succinateThiophene, 2-hexyl-6-Octenal, 3,7-dimethyl-, (R)-ResorcinolBenzenemethanol, 4-hydroxy-Thiazole, 4-propyl-BenzenepropanalTricyclo[3.3.1.1(3,7)]decane, 2-nitro-2-Hexen-1-ol, (E)-Furan, 2-hexyl-6-Octenal, 7-methyl-3-methylene-Urea, N-methyl-N'-phenyl-1,7-Octadiene, 2-methyl-6-methylene-2-Methoxy-5-methylphenolPiconolBenzeneacetaldehyde, .alpha.-ethylidene-Pyridine, 2-butyl-Benzenamine, 2-methyl-5-nitro-Enanthamide2-Hexanone, 3-methyl-1-Octadeceneendo-BorneolL-Norleucine, methyl esterIsopulegol acetate2-Hexanoylfuran.beta.-Acorenolcis-3-Hexenyl-.alpha.-methylbutyrateL-Aspartic acid, N-acetyl-, dimethyl ester2'-Ethoxyacetophenone2-Amino-2-norbornanecarboxylic acidPropanoic acid, 3-(methylthio)-PentadecaneTetrahydrocarvone1,2-Cyclohexanediol, 1-methyl-4-(1-methylethenyl)-Benzaldehyde, 4-(1-methylethyl)-Agarospirol2-Nonenenitrile2-n-Hexylcyclopentanonep-Menthane-3,8-diol, cis-1,3,trans-1,4-Cyclohexene, 1-methoxy-(S)-4-(1-Acetoxyallyl)phenyl acetate4,8-Methanoazulen-9-ol, decahydro-2,2,4,8-tetramethyl-, stereoisomerCyclohexene, 2-ethenyl-1,3,3-trimethyl-1,2-Benzenediol, 3-methyl-Ethanol, 2-(4-ethylphenoxy)-(1R,3aR,4aR,8aR)-1,4,4,6-Tetramethyl-1,2,3,3a,4,4a,7,8-octahydrocyclopenta[1,4]cyclobuta[1,2]benzene3-DodecanoneDecanal1,6-Octadiene, 3-ethoxy-3,7-dimethyl-Propanoic acid, 2-methyl-, dodecyl esterBenzene, 1-methyl-4-(1,2,2-trimethylcyclopentyl)-, (R)-Acenaphthene2-Butenedioic acid, 2-methyl-, (E)-2-Ethylhexyl acrylateCyclohexene, 4-(1,5-dimethyl-1,4-hexadienyl)-1-methyl-2-Cyclopenten-1-one, 3-methyl-2-(2-pentenyl)-, (Z)-Dodecane, 3-methyl-Propanethioic acid, S-(2-furanylmethyl) ester3,5-Dimethyl-1-butylpyrazoleUndecane, 2,6-dimethyl-1-(5-Methyl-2-pyrazinyl)-1-ethanonePentadecane, 2,6,10,14-tetramethyl-D-VerbenoneUndecane, 3,9-dimethyl-2,6-Nonadienal, (E,Z)-5-Nonen-4-one, 6-methyl-3-PhenylpropanolFomepizoleNaphthalene, 1,6,7-trimethyl-11,11-Dimethyl-4,8-dimethylenebicyclo[7.2.0]undecan-3-olBenzaldehyde, 4-methyl-Naphthalene, 2-nitro-AlbeneHexadecanal2-Butoxyethyl acetateUndecane, 4,6-dimethyl-Pentanoic acid, 3-methylbutyl esterThiazole, 2,4-dipropyl-Bicyclo[2.2.1]heptane, 2-chloro-1,7,7-trimethyl-, (1R-endo)-Naphthalene, 1,4-dimethyl-1,3,6-Octatriene, 3,7-dimethyl-, (Z)-Sorbic Acid2-Tridecanone2-Heptenal, 2-methyl-5-Ethylcyclopent-1-enecarboxaldehydeButanoic acid, 2-methyl-Cyclohexanone, 2-methyl-5-(1-methylethenyl)-Butanoic acid, 3-methyl-, ethyl esterNaphthalene, 1,5-dimethyl-Ethanethioic acid, S-(2-furanylmethyl) ester1-Nonen-3-ol4-Methylhexyl 3-methylbutanoatecis-3-Hexenyl salicylate6,7-DodecanedioneBenzeneacetaldehyde(Z)-(Z)-Hex-3-en-1-yl 2-methylbut-2-enoate2,5-Dibutoxy-2,5-dihydrofuran3,4-dimethyl-2-(methyldisulfanyl)thiophene3-Piperidinol2,3-DiethylpyrazineThiourea, N,N'-dimethyl-Benzene, 1-methyl-3-(1-methylethenyl)-4-Pyridinecarboxylic acid, ethyl esterBenzaldehyde, 2,4-dimethyl-HydrazinecarbothioamideButanoic acid, 3,7-dimethyl-2,6-octadienyl ester, (E)-Hexanoic acid, anhydrideN,N'-MethylenebismethacrylamideHexanoic acid, pentyl esterOctanal, 7-hydroxy-3,7-dimethyl-Hexyl tiglateCyclooctanemethanolCreatinineIsobornyl formate(E)-.beta.-Farnesene2-Norbornanone2-n-HeptylcyclopentanoneOrphenadrine2-methyl-5-[(methylthio)methyl]furantrans-Ferulic acidBenzeneacetamideEthanone, 1-(1,4-dimethyl-3-cyclohexen-1-yl)-Nonanoic acid, butyl esterPiperidin-3-one, 2,2,5-methyl-Nonane, 1-iodo-Dictamnine1-Ethylpropyl acetate2-Pyridinemethanamine2H-Pyran-2-one, 6-ethyltetrahydro-Triethyl phosphate2H-Pyran-2-one, 6-hexyltetrahydro-1-Cyclohexene-1-carboxaldehyde, 5,5-dimethyl-3-oxo-MethylparabenImidodicarbonic diamideHexanoic acid, 2-methylpropyl esterPyridine, 2,3-dimethyl-2H-Pyran-2-one, tetrahydro-6-octyl-Phenol, 2,3-dimethyl-1,3,7-Octatriene, 3,7-dimethyl-p-Menth-8-en-3-ol, acetateOctane, 1,1'-oxybis-Benzeneacetaldehyde, .alpha.-methyl-L-Pipecolinic acid2-Hexen-1-ol, (Z)-Phenol, 2,3,6-trimethyl-2,4-Nonadienal1-HeptanolPiperazine, 2,5-dimethyl-, trans-2-Methyl-7-exo-vinylbicyclo[4.2.0]oct-1(2)-ene1-Decyne2-Cyclohexen-1-one, 2-methyl-5-(1-methylethyl)-, (S)-.beta.-Phellandrene.alpha.-MuuroleneDodecanalHexane, 3-ethyl-2-methyl-Nonane, 5-methyl-5-propyl-Pyridine, 4-phenyl-2H-Pyran-2-one, tetrahydro-6-(2-pentenyl)-, (Z)-Cyclohexene, 4-[(1E)-1,5-dimethyl-1,4-hexadien-1-yl]-1-methyl-1H-Pyrrole, 2-methyl-Isobutyric acid, 2-methylphenyl esterNaphthalene, 1,2,4a,5,6,8a-hexahydro-4,7-dimethyl-1-(1-methylethyl)-, [1S-(1.alpha.,4a.beta.,8a.alpha.)]-Cyclohexanol, 5-methyl-2-(1-methylethyl)-, (1.alpha.,2.alpha.,5.alpha.)-Acetic acid, phenyl-, isopentyl esterHexathianeTricarballylic acid2-NonanoneThymolEugenol5-Nonanone2H-Pyran-2-one, tetrahydro-6-methyl-1,7-Diazabicyclo[2.2.0]heptane(3S,3aR,6R,8aS)-3,7,7-Trimethyl-8-methylenehexahydro-1H-3a,6-methanoazulen-2(3H)-one1,4-Methanoazulen-3-ol, decahydro-1,5,5,8a-tetramethyl-, [1S-(1.alpha.,3.beta.,3a.beta.,4.alpha.,8a.beta.)]-Pyrazine, ethoxy-Germacrene D2-Butanone, 4-phenyl-Cyclooctanecarboxaldehyde2-Hexen-1-ol, acetate, (E)-2,6-Nonadienal, (E,E)-2-(3-Thienyl)pyridine4-Hexen-1-ol2-Nonanol, acetate9H-XantheneBenzoic acid, 3-nitro-1-UndecyneCyclohexanone, 5-methyl-2-(1-methylethylidene)-(1R)-(-)-Myrtenal2-Acetyl-3-methylthiophenetrans-3-Methyl-4-octanolide7-Octen-2-olUndecane, 2,9-dimethyl-(S)-(-)-(4-Isopropenyl-1-cyclohexenyl)methanolBenzeneethanol, 4-hydroxy-Benzenamine, N,N-dimethyl-2,6-Dimethyl-2-trans-6-octadienePropanoic acid, heptyl ester1,4-CyclohexanedioneBenzene, 1-methyl-2-(1-ethylpropyl)-Cyclopentanone, 2-(2-hexenyl)-Butyl caprylate2-Decenal, (Z)-(3S,3aR,3bR,4S,7R,7aR)-4-Isopropyl-3,7-dimethyloctahydro-1H-cyclopenta[1,3]cyclopropa[1,2]benzen-3-ol2,6-Nonadien-1-olN,N-Dimethyl-1,2,3-trithian-5-amine1-(2-Thienyl)-1-propanone2H-Pyran-2-one, tetrahydro-6-propyl-Cyclohexanol, 2-methyl-5-(1-methylethenyl)-4-Phenyl-2-butanol4-(N-Nitroso-N-methylamino)-1-(3-pyridyl)-1-butanoneValerena-4,7(11)-diene3-Pentanol, 3-ethyl-Heptane, 1-chloro-2-Butenoic acid, 2-methyl-, 2-methylpropyl ester5-Methyl-2-nitrophenolEthanone, 2-hydroxy-1-phenyl-Niacin2H-Pyran-2-one, tetrahydro-6-pentyl-2-Propenoic acid, 3-(4-hydroxy-3-methoxyphenyl)-Bicyclo[3.1.1]heptan-3-one, 2-hydroxy-2,6,6-trimethyl-Cyclohexanol, 5-methyl-2-(1-methylethyl)-, (1.alpha.,2.beta.,5.beta.)-Styrenen-PentadecanolEthanone, 1-(2-methylphenyl)-3,4-Methylenedioxybenzyl acetatePrilocainePhenol, 2,5-bis(1-methylethyl)-2-octenal2-Ethyl-1-dodecanolMegastigma-4,6(Z),8(E)-triene2-Hexenal, (E)-Carvone oxide, trans-3-Octen-1-ol, acetate, (Z)-(-)-MyrtenolD-Carvone2-Cyclohexen-1-one, 4-(3-hydroxy-1-butenyl)-3,5,5-trimethyl-6,7-Dimethoxy-2H-1,3-benzodioxole-5-carbaldehydeMethyl 6,6-dimethylbicyclo[3.1.1]hept-2-ene-2-carboxylate1-Butanol, 3-methyl-, benzoatePhenol, 2-(methylthio)-Farnesene epoxide, E-2,6-Heptanedione, 3-acetyl-Pyridine, 3-phenyl-Quinoxaline, 5-methyl-Pyridine, 4-methyl-D-FenchoneN-Benzyloxy-2-carbomethoxyaziridineBenzenethiol, 2-methoxy-DicyandiamideHydroxylamine, O-decyl-1H-Imidazole2-Furancarboxylic acidHexanoic acid, butyl esterPhenol, 3,4-dimethyl-2,4-Dodecadienal, (E,E)-Cedroln-Pentyl isothiocyanate2,3-Butanediol, 2,3-dimethyl-Propane, 1-(1-ethoxyethoxy)-Bicyclo[3.1.1]heptane, 6,6-dimethyl-2-methylene-, (1S)-2,6-DimethylthiophenolCycloheptanolButyl caprateBenzene, 1-methyl-4-(1-methylethenyl)-Quinoline, 2,4-dimethyl-cis-3-HexenylpyruvateBarbitalCyclohexanol, 5-methyl-2-(1-methylethyl)-, (1.alpha.,2.alpha.,5.beta.)-o-XyleneEthanone, 1-(1H-pyrrol-2-yl)-Hexanoic acid, 2-hexenyl ester, (E)-2-methyl-2-butenoic aci phenethyl ester5-Hexen-1-olCyclohexanone, 5-methyl-2-(1-methylethyl)-Naphthalene, 1,6-dimethyl-4-(1-methylethyl)-E-2-Hexenyl benzoate2H-Indol-2-one, 1,3-dihydro-1,5-DiacetoxypentanePropanoic acid, 3-[(2-furanylmethyl)thio]-, ethyl ester1-Octanamine(2S,4aR,8aR)-4a,8-Dimethyl-2-(prop-1-en-2-yl)-1,2,3,4,4a,5,6,8a-octahydronaphthaleneNeral2-Octyl methylphosphonofluoridateHexanoic acid, propyl ester1,5-Cyclohexadiene-1-methanol, 4-(1-methylethyl)-Heptadecane, 2-methyl-(E)-2,6-Dimethylocta-2,5,7-trien-4-one.alpha.-Aminoisobutanoic acidMalathionPhenol, 2,5-dichloro-Butanedioic acid, methyl-2-Acetyl-5-methylfuranMethyl tiglateHexanoic acid, 3-methyl-2-butenyl ester1,7-Dioxacycloheptadecan-8-oneSpermineBenzoic acid, 2-methoxy-Benzoic acid, 2-(aminosulfonyl)-Tridecane, 2-methyl-(1Alpha,3beta,4beta)-p-menthane-3,8-diol1-Cyclohexene-1-carboxylic acid, 4-(1-methylethenyl)-2-Pentanol, acetate(+)-4-CareneBenzothiazole2,6,6-Trimethylbicyclo[3.2.0]hept-2-en-7-oneHexanoic acid, 2-phenylethyl esterp-Toluidine, 3,5-dinitro-1-Methyl-2,4,5-trioxoimidazolidineMethyloneEthanone, 1-(1-methyl-1H-pyrrol-2-yl)-Pentanoic acid, 1-ethenyl-1,5-dimethyl-4-hexenyl ester1-(6-Methyl-2-pyrazinyl)-1-ethanoneNeric acidCyclohexanol, 2-methyl-5-(1-methylethenyl)-, (1.alpha.,2.alpha.,5.beta.)-Pyrazine, ethenyl-Urea, N-(2-methylcyclohexyl)-N'-phenyl-Furaneol2-Nonen-1-ol, (Z)-2,6-Octadiene, 2,6-dimethyl-1-Pentanone, 1-(1H-imidazol-4-yl)-4H-1-Benzopyran-4-one, 2,3-dihydro-Propanal, dipropylhydrazoneOctanedioic acid, dimethyl esterp-Mentha-1,5-dien-8-ol1-Octen-3-olcis-11-Tetradecen-1-olUndecane, 6,6-dimethyl-.beta.-GuaieneCyclohexene, 3-(1,5-dimethyl-4-hexenyl)-6-methylene-, [S-(R*,S*)]-3,6-Dimethyl-2,3,3a,4,5,7a-hexahydrobenzofuran1,5-Pentanediamine3-Quinuclidinolcis-9-Tetradecen-1-ol3,6-Octadien-1-ol, 3,7-dimethyl-, (Z)-Butanoic acid, 3-methyl-, 2-phenylethyl esterPhenyl 4-pyridyl ketone1,2-Cyclohexanedione2-Hexenal, 2-ethyl-2-Undecenal, E-trans-11-Tetradecenyl acetateTetrasulfide, di-2-propenylParaldehyde4-Tridecanone2-Ethoxy-3-methylpyrazineCycloheptylamineGeranyl tiglate1,4-Pentanediol2-Propenoic acid, 3-phenyl-, 1-methylethyl esterPhenol, 4-(methylthio)-Butanoic acid, 1,1-dimethyl-2-phenylethyl esterFuran, 2-butyltetrahydro-Glycidol2-Buten-1-ol, 3-methyl-, benzoateBicyclo[2.2.1]heptane, 2,2-dimethyl-3-methylene-, (1S)-Butanoic acid, 2-methyl-, 2-methylpropyl ester5-Azulenemethanol, 1,2,3,3a,4,5,6,7-octahydro-.alpha.,.alpha.,3,8-tetramethyl-, [3S-(3.alpha.,3a.beta.,5.alpha.)]-3-Cyclohexene-1-carboxaldehydeNaphthalene, 1,2-dimethyl-3-Butylthiophene2-Cyclohexen-1-one, 3-methyl-6-(1-methylethyl)-Methyl 6-chloronicotinate2-Furanmethanol, 5-ethenyltetrahydro-.alpha.,.alpha.,5-trimethyl-, cis-Benzaldehyde, 3,4-dihydroxy-Nonane, 3-methyl-5-propyl-Pyrazine, 3-butyl-2,5-dimethyl-2-Furanpropionic acid1,5,7-Octatrien-3-ol, 3,7-dimethyl-Undecane, 3,5-dimethyl-Nicotyrine2-PhenylpropenalUndecane, 3,8-dimethyl-cis-3-Hexenyl isovalerate(1R,4R)-1-methyl-4-(6-Methylhept-5-en-2-yl)cyclohex-2-enolPiperazineBicyclo(3.3.1)non-2-eneBenzeneethanamine, N,.alpha.,.alpha.-trimethyl-Furan, 2-(methoxymethyl)-Benzene, isothiocyanato-Benzenesulfonamide, 2-methyl-3,5-di-tert-Butyl-4-hydroxybenzaldehydeBicyclo[3.1.0]hexane, 4-methylene-1-(1-methylethyl)-1,4-Methanobenzocyclodecene, 1,2,3,4,4a,5,8,9,12,12a-decahydro-exo-7-(trans-1-Propenyl)bicyclo[4.2.0]oct-1(2)-eneCyclohexanol, 2-methyl-3-(1-methylethenyl)-, (1.alpha.,2.alpha.,3.alpha.)-Benzenemethanethiol(Z)-Pentadec-6-en-2-one1,3-Benzodioxole-5-carboxylic acid3-Methyl-pyrrolo(2,3-b)pyrazine2-Isopropyl-5-methylhex-2-enal2-Decen-1-ol, (E)-3-Decen-2-oneDibutyl phthalate1-Cyclohexene-1-carboxaldehyde, 4-(1-methylethenyl)-Urea, N-ethyl-N'-phenyl-cis-Hexenyl octyne carbonate1,2,4,5-Tetrazin-3-amineDiphenylamine1H-Pyrrole-2,5-dioneTetradecane, 2-methyl-.gamma.-Muurolene2H-1-Benzopyran-2-one, 3-methyl-Pentyl octanoate3H-1,2,4-Triazol-3-one, 1,2-dihydro-7-Octen-2-ol, 2,6-dimethyl-Methylmalonic acidn-Valeric acid cis-3-hexenyl esterBenzaldehyde, 2-methyl-Heptane, 2,2,4,6,6-pentamethyl-Phenol, 4-(3-hydroxy-1-propenyl)-2-methoxy-Benzyl isopentyl ether1,3,5-Triazine-2,4,6-triamineisoledeneHexanoic acid, cyclopentyl ester6-Ethyl-5,6-dihydro-2H-pyran-2-oneButanoic acid, 2-methyl-, pentyl ester2,6,10-Dodecatrienal, 3,7,11-trimethyl-, (E,E)-BenzaldehydeButanoic acid, 2-methyl-, phenylmethyl esterHistamine2(1H)-Pyridinone8-Azabicyclo[3.2.1]octan-3-ol, 8-methyl-, exo-Limonene5-Nonenal, (E)-Benzoic acid, 2-propenyl ester2-Hexanone, 3,4-dimethyl-2,6-Octadienal, 3,7-dimethyl-, (E)-3(2H)-Furanone, 5-methyl-2-octyl-Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, (1S-endo)-2-Propanone, 1-(5-methyl-3H-1,2-dithiol-3-ylidene)-1,6-Octadien-3-ol, 3,7-dimethyl-, formate5-Hepten-2-one, 6-methyl-Azelaic acid5-Octen-1-ol, (Z)-Pyrazine, 2,6-diethyl-Isobutyl isovalerate4-Methylthio-2-5-dimethoxyamphetamine4H-Pyran-4-one, 3,5-dihydroxy-2-methyl-Acetoacetic acid isoamyl esterBenzaldehyde, 3-ethyl-Diallyl sulfideBicyclo[4.1.0]hept-2-ene, 3,7,7-trimethyl-, (1S-cis)-Pentanoic acid, 3-methyl-, ethyl esterUndecane, 3,6-dimethyl-Propanoic acid, 2-methyl-, 2-phenylethyl ester7-Octene-2,6-diol, 2,6-dimethyl-Cyclooctyl alcoholtrans,cis-2,6-Nonadien-1-olAcetic acid, phenoxy-2(3H)-Furanone, 5-butyldihydro-4-methyl-, cis-Bicyclo[3.1.1]hept-2-ene, 3,6,6-trimethyl-3-Cyclohexene-1-carboxaldehyde, 4-(4-methyl-3-pentenyl)-(2,2,6-Trimethyl-bicyclo[4.1.0]hept-1-yl)-methanolfalseImpacts of fixation processing workflows on the volatile and non-volatile metabolomic profiles of Gougunao green teaThis study compared four fixation processing workflows and their effects on the volatile and non-volatile metabolomic profiles of Gougunao green tea: fully mechanical fixation (M1), mechanical-manual hybrid fixation (M2), manual-mechanical hybrid fixation (M3), and fully manual fixation (M4). An integrated UHPLC-MS/MS and HS-SPME-GC-MS strategy was used to profile non-volatile and volatile metabolites, resulting in 2,105 putatively annotated non-volatile metabolic features and 1,066 volatile metabolites. PCA showed clear workflow-associated separation in both LC-MS and GC-MS datasets, while OPLS-DA supported pairwise discrimination among most comparisons. Differential screening using FDR < 0.05 and |log2FC| > 1 identified 16-183 differential non-volatile metabolites and 0-26 differential volatile metabolites across the six pairwise comparisons, demonstrating that different fixation processing workflows are associated with distinct chemical profiles in Gougunao green tea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