MassBank Record: TY000094



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

ACCESSION: TY000094
RECORD_TITLE: Dihydrocapsaicin; LC-ESI-ITTOF; MS; [M-H]-
DATE: 2016.01.19 (Created 2008.12.14, modified 2011.05.06)
AUTHORS: Ken TANAKA
LICENSE: CC BY-SA

CH$NAME: Dihydrocapsaicin CH$NAME: Nonanamide, N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methyl- CH$NAME: Nonanamide, 8-methyl-N-vanillyl- CH$NAME: 6,7-Dihydrocapsaicin CH$NAME: Capsaicin, dihydro- CH$COMPOUND_CLASS: Natural Product; Capsaicinoid CH$FORMULA: C18H29NO3 CH$EXACT_MASS: 307.21474 CH$SMILES: CC(C)CCCCCCC(=O)NCc(c1)cc(OC)c(O)c1 CH$IUPAC: InChI=1S/C18H29NO3/c1-14(2)8-6-4-5-7-9-18(21)19-13-15-10-11-16(20)17(12-15)22-3/h10-12,14,20H,4-9,13H2,1-3H3,(H,19,21) CH$LINK: CAS 19408-84-5 CH$LINK: NIKKAJI J126.282C CH$LINK: PUBCHEM CID:107982
AC$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 1424.469 AC$CHROMATOGRAPHY: SOLVENT (A)5 mM ammonium acetate, (B)CH3CN
MS$FOCUSED_ION: ION_TYPE [M-H]-
PK$SPLASH: splash10-0a4i-0009000000-d78b5f33ed27ef76b59a PK$NUM_PEAK: 6 PK$PEAK: m/z int. rel.int. 306.2068 498062801 999 307.2102 95999158 193 366.2285 128070248 257 367.2305 33899208 68 611.4070 26289359 53 613.4202 43665693 88 //