MassBank Record: TY000242



 [6]-Gingerol; LC-ESI-ITTOF; MS2; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: TY000242
RECORD_TITLE: [6]-Gingerol; LC-ESI-ITTOF; MS2; [M-H]-
DATE: 2016.01.19 (Created 2010.10.22, modified 2011.05.06)
AUTHORS: Ken TANAKA
LICENSE: CC BY-SA

CH$NAME: [6]-Gingerol CH$NAME: (5S)-5-Hydroxy-1-(4-hydroxy-3-methoxyphenyl)-3-decanone CH$NAME: (S)-5-Hydroxy-1-(4-hydroxy-3-methoxyphenyl)-3-decanone CH$NAME: (S)-(+)-5-Hydroxy-1-(4-hydroxy-3-methoxyphenyl)-3-decanone CH$NAME: (+)-5-Hydroxy-1-(4-hydroxy-3-methoxyphenyl)-3-decanone CH$NAME: (+)-[6]-Gingerol CH$NAME: (S)-(+)-[6]Gingerol CH$NAME: (S)-[6]Gingerol CH$COMPOUND_CLASS: Natural Product; capsaicinoid CH$FORMULA: C17H26O4 CH$EXACT_MASS: 294.18311 CH$SMILES: CCCCCC(O)CC(=O)CCc(c1)cc(OC)c(O)c1 CH$IUPAC: InChI=1S/C17H26O4/c1-3-4-5-6-14(18)12-15(19)9-7-13-8-10-16(20)17(11-13)21-2/h8,10-11,14,18,20H,3-7,9,12H2,1-2H3/t14-/m0/s1 CH$LINK: CAS 23513-14-6
AC$INSTRUMENT: LCMS-IT-TOF AC$INSTRUMENT_TYPE: LC-ESI-ITTOF AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: CDL_TEMPERATURE 200 C AC$MASS_SPECTROMETRY: INTERFACE_VOLTAGE -3.50 kV AC$MASS_SPECTROMETRY: SCANNING 0.1 sec/scan (m/z = 200-2000) AC$CHROMATOGRAPHY: COLUMN_NAME Waters Atlantis T3 (2.1 x 150 mm, 5 um) AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE 40 C AC$CHROMATOGRAPHY: FLOW_GRADIENT 10 % B to 100 % B/40 min AC$CHROMATOGRAPHY: FLOW_RATE 0.2 ml/min AC$CHROMATOGRAPHY: RETENTION_TIME 20.738717 min AC$CHROMATOGRAPHY: SOLVENT (A)5 mM ammonium acetate, (B)CH3CN
MS$FOCUSED_ION: BASE_PEAK 193.090600 MS$FOCUSED_ION: PRECURSOR_M/Z 293.172700
PK$SPLASH: splash10-0006-0900000000-6e1c50ecd626db8572f8 PK$NUM_PEAK: 19 PK$PEAK: m/z int. rel.int. 121.030000 5771.000000 6 135.040400 51380.000000 51 136.047200 8609.000000 9 162.030700 8438.000000 8 163.047500 14520.000000 14 177.054200 27772.000000 28 178.065700 302737.000000 300 178.181200 6433.000000 6 178.309500 8014.000000 8 179.067300 40446.000000 40 192.770300 6504.000000 6 193.090600 1007454.000000 999 193.210800 19748.000000 20 193.331100 20380.000000 20 193.504800 13595.000000 13 194.093400 149313.000000 148 195.085300 6433.000000 6 275.170100 37424.000000 37 276.175200 6818.000000 7 //