MassBank Record: TY000084



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

ACCESSION: TY000084
RECORD_TITLE: [6]-Gingerol; LC-ESI-ITTOF; MS; [M-H]-
DATE: 2016.01.19 (Created 2008.12.13, modified 2011.05.06)
AUTHORS: Ken TANAKA
LICENSE: CC BY-SA

CH$NAME: [6]-Gingerol CH$NAME: 3-Decanone, 5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-, (5S)- CH$NAME: 3-Decanone, 5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-, (S)- CH$NAME: 3-Decanone, 5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-, (S)-(+)- 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 CH$LINK: NIKKAJI J46.683B CH$LINK: PUBCHEM CID:442793
AC$INSTRUMENT: Shimadzu LC20A-IT-TOFMS AC$INSTRUMENT_TYPE: LC-ESI-ITTOF AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: CDL_TEMPERATURE 200 C AC$MASS_SPECTROMETRY: INTERFACE_VOLTAGE -3.50 kV AC$MASS_SPECTROMETRY: SCANNING 0.1 sec/scan AC$MASS_SPECTROMETRY: SCANNING_RANGE 100-1500 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$CHROMATOGRAPHY: RETENTION_TIME 1261.745 AC$CHROMATOGRAPHY: SOLVENT (A)5 mM ammonium acetate, (B)CH3CN
MS$FOCUSED_ION: ION_TYPE [M-H]-
PK$SPLASH: splash10-0006-0091000000-73ec3fb557f4b6d487ef PK$NUM_PEAK: 4 PK$PEAK: m/z int. rel.int. 193.0853 17311371 58 293.1746 297524059 999 294.1768 52581724 177 353.1921 67227377 226 //