samp1-03_Huanan Agri Univ

Huanan Agriculture University Analytical Center ReportData File:samp1-03Orig Data Path:Curr Data Path:D:DATA20062006074Sample Type:UnknownSample ID:1Sample Name:samp1Operator:Acquisition Date:04/05/06 16:57:44Run Time (min):25.65Inst Method:D:METHODS06074.methCompound StructureDeltaRTNameMol. FormulaLibraryCas #SIProbabilityArea %7.13HEXANOIC ACID (CAS)C6H12O2Willey142-62-171728.911.297.13HEXANOIC ACID (CAS)C6H12O2Willey142-62-171228.911.297.13HEXANOIC ACID (CAS)C6H12O2Willey142-62-170328.911.297.13Pentanoic acidC5H10O2MAINLIB109-52-470217.521.297.13Hexanoic acidC6H12O2MAINLIB142-62-170128.911.29Compound StructureDeltaRTNameMol. FormulaLibraryCas #SIProbabilityArea %9.362,3-DIHYDRO-3,5-DIHYDROXY-6-METHYL-4H-PYRAN-4-ONEC6H8O4WilleyNA84252.761.509.364H-Pyran-4-one, 2,3-dihydro-3,5-dihydroxy-6-methyl-C6H8O4MAINLIB28564-83-282325.621.509.362,3-DIHYDRO-3,5-DIHYDROXY-6-METHYL-4H-PYRAN-4-ONEC6H8O4WilleyNA81519.111.509.364H-PYRAN-4-ONE, 2,3-DIHYDRO-3,5-DIHYDROXY-6-METHYL- (CAS)C6H8O4Willey28564-83-278125.621.509.362-Propyl-tetrahydropyran-3-olC8H16O2MAINLIBNA7231.591.50Compound StructureDeltaRTNameMol. FormulaLibraryCas #SIProbabilityArea %9.50Decane, 1,1-oxybis-C20H42OMAINLIB2456-28-262413.200.319.50DECANE, 1,1-OXYBIS- (CAS)C20H42OWilley2456-28-262013.200.319.50Ethyl linaloolC12H22OMAINLIBNA61910.640.319.502-Hexadecenoic acid, methyl ester, (E)-C17H32O2MAINLIB2825-81-26158.990.319.50E-9-Tetradecenyl acetateC16H30O2MAINLIBNA6127.940.31Compound StructureDeltaRTNameMol. FormulaLibraryCas #SIProbabilityArea %10.20BENZOIC ACID, 2-HYDROXY-, METHYL ESTER (CAS)C8H8O3Willey119-36-876481.650.5210.20Methyl SalicylateC8H8O3MAINLIB119-36-875781.650.5210.20BENZOIC ACID, 2-HYDROXY-, METHYL ESTER (CAS)C8H8O3Willey119-36-874581.650.5210.20BENZOIC ACID, 2-HYDROXY-, METHYL ESTER (CAS)C8H8O3Willey119-36-872181.650.5210.20BENZOIC ACID, 2-HYDROXY-, METHYL ESTER (CAS)C8H8O3Willey119-36-872081.650.52Compound StructureDeltaRTNameMol. FormulaLibraryCas #SIProbabilityArea %10.332-FURANCARBOXALDEHYDE, 5-(HYDROXYMETHYL)- (CAS)C6H6O3Willey67-47-078460.931.4710.332-FURANCARBOXALDEHYDE, 5-(HYDROXYMETHYL)- (CAS)C6H6O3Willey67-47-076860.931.4710.334-HEPTEN-3-ONE, 4-METHYL- (CAS)C8H14OWilley22319-31-97189.621.4710.334-Hepten-3-one, 4-methyl-C8H14OMAINLIB22319-31-97139.621.4710.334-HEXEN-3-ONE, 4,5-DIMETHYL- (CAS)C8H14OWilley17325-90-56912.831.47Compound StructureDeltaRTNameMol. FormulaLibraryCas #SIProbabilityArea %10.51BenzothiazoleC7H5NSMAINLIB95-16-968122.221.2010.51BENZOTHIAZOLE (CAS)C7H5NSWilley95-16-968022.221.2010.51BENZOTHIAZOLE (CAS)C7H5NSWilley95-16-967222.221.2010.51BENZOTHIAZOLE (CAS)C7H5NSWilley95-16-967122.221.2010.511,2-BenzisothiazoleC7H5NSMAINLIB272-16-266412.131.20Compound StructureDeltaRTNameMol. FormulaLibraryCas #SIProbabilityArea %15.05Tetradecane, 2,6,10-trimethyl-C17H36MAINLIB14905-56-779721.251.5815.05TETRADECANE, 2,6,10-TRIMETHYL- (CAS)C17H36Willey14905-56-779121.251.5815.05HENEICOSANE (CAS)C21H44Willey629-94-77534.601.5815.051,3,5-TRIAZINE-2,4-DIAMINE, 6-CHLORO-N-ETHYL- (CAS)C5H8ClN5Willey1007-28-97483.711.5815.05DOCOSANE (CAS)C22H46Willey629-97-07463.421.58Compound StructureDeltaRTNameMol. FormulaLibraryCas #SIProbabilityArea %16.053-(3R,7AS)-2-PHENYLPERHYDROPYRROLO1,2-CIMIDAZOL-3-YL-2-CYANO-5-PHENYL-2,3,4,5-TETRAHYDROPYRROLE-4-CARBOXYLIC ACID METHYL ESTERC25H28N4O2WilleyNA86953.902.7216.05-NITROBENZO(2,3)TRICYCLO(2.2.1.O(6,7)HEPTENEC11H9NO2WilleyNA84416.442.7216.05-NITROBENZO(2,3)TRICYCLO(2.2.1.3(6,7)HEPTENEC11H9NO2WilleyNA84114.522.7216.052,5-ANHYDRO-3,4-O-ISOPROPYLIDENE-D-ALLOSEC9H14O5Willey85761-44-08023.422.7216.052-1-(4-METHOXYPHENYL)ETHYLFURANC13H14O2Willey113386-16-67993.022.72Compound StructureDeltaRTNameMol. FormulaLibraryCas #SIProbabilityArea %17.26ISOCHIAPIN BC19H22O6WilleyNA72511.851.3217.26ISOCHIAPIN B %2C19H26O6WilleyNA72511.851.3217.261,3,5-TRIAZINE-2,4-DIAMINE, 6-CHLORO-N-ETHYL- (CAS)C5H8ClN5Willey1007-28-97158.361.3217.26TETRADECANOIC ACID (CAS)C14H28O2Willey544-63-87086.401.3217.261-Hexadecanol, 2-methyl-C17H36OMAINLIB2490-48-47055.661.32Compound StructureDeltaRTNameMol. FormulaLibraryCas #SIProbabilityArea %17.43TETRADECANOIC ACID (CAS)C14H28O2Willey544-63-882947.141.6817.439-OCTADECENOIC ACID (Z)- (CAS)C18H34O2Willey112-80-181630.451.6817.43Tetradecanoic acidC14H28O2MAINLIB544-63-881347.141.6817.43TETRADECANOIC ACID (CAS)C14H28O2Willey544-63-879147.141.6817.43TETRADECANOIC ACID (CAS)C14H28O2Willey544-63-878447.141.68Compound StructureDeltaRTNameMol. FormulaLibraryCas #SIProbabilityArea %18.341,2-BENZENEDICARBOXYLIC ACID, BIS(2-METHYLPROPYL) ESTER (CAS)C16H22O4Willey84-69-583749.064.6918.341,2-BENZENEDICARBOXYLIC ACID, BIS(2-METHYLPROPYL) ESTER (CAS)C16H22O4Willey84-69-583749.064.6918.341,2-BENZENEDICARBOXYLIC ACID, BIS(2-METHYLPROPYL) ESTER (CAS)C16H22O4Willey84-69-581549.064.6918.341,2-Benzenedicarboxylic acid, bis(2-methylpropyl) esterC16H22O4MAINLIB84-69-581449.064.6918.34DIISOBUTYL BENZENE-1,2-DICARBOXYLATEC16H22O4WilleyNA81316.444.69Compound StructureDeltaRTNameMol. FormulaLibraryCas #SIProbabilityArea %19.261,2-Benzenedicarboxylic acid, butyl octyl esterC20H30O4MAINLIB84-78-676421.805.2719.261,2-BENZENEDICARBOXYLIC ACID, DIBUTYL ESTER (CAS)C16H22O4Willey84-74-274812.555.2719.261,2-Benzenedicarboxylic acid, butyl 2-ethylhexyl esterC20H30O4MAINLIB85-69-874611.585.2719.261,2-Benzenedicarboxylic acid, butyl decyl esterC22H34O4MAINLIB89-19-074410.685.2719.261,2-BENZENEDICARBOXYLIC ACID, BIS(2-METHYLPROPYL) ESTER (CAS)C16H22O4Willey84-69-57388.395.27Compound StructureDeltaRTNameMol. FormulaLibraryCas #SIProbabilityArea %19.52HEXADECANOIC ACID (CAS)C16H32O2Willey57-10-391170.0319.3519.52n-Hexadecanoic acidC16H32O2MAINLIB57-10-388770.0319.3519.52HEXADECANOIC ACID (CAS)C16H32O2Willey57-10-388570.0319.3519.52HEXADECANOIC ACID (CAS)C16H32O2Willey57-10-388070.0319.3519.52HEXADECANOIC ACID (CAS)C16H32O2Willey57-10-387970.0319.35Compound StructureDeltaRTNameMol. FormulaLibraryCas #SIProbabilityArea %21.079,12-OCTADECADIENOIC ACID (Z,Z)- (CAS)C18H32O2Willey60-33-387735.535.9721.079,12-Octadecadienoic acid (Z,Z)-C18H32O2MAINLIB60-33-381835.535.9721.07HEXADECADIENOIC ACID, METHYL ESTER (CAS)C17H30O2Willey29961-54-48186.425.9721.07Hexadecadienoic acid, methyl esterC17H30O2MAINLIB29961-54-48176.425.9721.079,12-Octadecadienoyl chloride, (Z,Z)-C18H31ClOMAINLIB7459-33-88125.055.97Compound StructureDeltaRTNameMol. FormulaLibraryCas #SIProbabilityArea %21.159-OCTADECENOIC ACID (Z)- (CAS)C18H34O2Willey112-80-187442.923.4121.15Oleic AcidC18H34O2MAINLIB112-80-184442.923.4121.1512-Methyl-E,E-2,13-octadecadien-1-olC19H36OMAINLIBNA8238.653.4121.15DI-(9-OCTADECENOYL)-GLYCEROLC39H72O5WilleyNA8186.973.4121.15Z-8-Methyl-9-tetradecenoic acidC15H28O2MAINLIBNA8105.203.41Compound StructureDeltaRTNameMol. FormulaLibraryCas #SIProbabilityArea %21.42OCTADECANOIC ACID (CAS)C18H36O2Willey57-11-481126.852.2421.42OCTADECANOIC ACID (CAS)C18H36O2Willey57-11-480426.852.2421.429-OCTADECENOIC ACID (Z)- (CAS)C18H34O2Willey112-80-180018.422.2421.42HEXADECANOIC ACID, 2,3-DIHYDROXYPROPYL ESTER (CAS)C19H38O4Willey542-44-97818.942.2421.42Octadecanoic acidC18H36O2MAINLIB57-11-478026.852.24Compound StructureDeltaRTNameMol. FormulaLibraryCas #SIProbabilityArea %26.63ISOCHIAPIN BC19H22O6WilleyNA74012.880.5926.63ISOCHIAPIN B %2C19H26O6WilleyNA74012.880.5926.631,3,5-TRIAZINE-2,4-DIAMINE, 6-CHLORO-N-ETHYL- (CAS)C5H8ClN5Willey1007-28-973912.380.5926.63E-8-Methyl-9-tetradecen-1-ol acetateC17H32O2MAINLIBNA7319.230.5926.63TRIDEUTERIOMETHYL 10-EPOXY-7-ETHYL-3,11-DIMETHYLTRIDECA-2,6-DIENOATEC18H27D3O3Willey56805-11-97247.070.59Compound StructureDeltaRTNameMol. FormulaLibraryCas #SIProbabilityArea %27.112,6,10,15,19,23-HEXAMETHYL-2,6,10,14,18,22,-TETRACOSAHEXAENEC30H50Willey7683-64-987333.5033.5227.112,6,10,14,18,22-TETRACOSAHEXAENE, 2,6,10,15,19,23-HEXAMETHYL- (CAS)C30H50Willey7683-64-985833.5033.5227.112,6,10,14,18,22-TETRACOSAHEXAENE, 2,6,10,15,19,23-HEXAMETHYL- (CAS)C30H50Willey7683-64-985333.5033.5227.112,6,10,14,18-Pentamethyl-2,6,10,14,18-eicosapentaeneC25H42MAINLIB75581-03-28469.8533.5227.116,10,14,18,22-Tetracosapentaen-2-ol, 3-bromo-2,6,10,15,19,23-hexamethyl-, (all-E)-C30H51BrOMAINLIB65746-05-68397.5433.52Compound StructureDeltaRTNameMol. FormulaLibraryCas #SIProbabilityArea %27.46Cholest-5-en-3-ol (3)-, tetradecanoateC41H72O2MAINLIB1989-52-281647.653.9427.461-HeptatriacotanolC37H76OMAINLIBNA79215.963.9427.46Cholestan-3-ol, 2-methylene-, (3,5)-C28H48OMAINLIB22599-96-87634.523.9427.46CHOLESTAN-3-OL, 2