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MassBank Record: MSBNK-RIKEN_ReSpect-PT204420

Dihydrocapsacine, 8-Methyl-N-vanillylnonanamide, Dihydrocapsaicin, N-((4-hydroxy-3-methoxyphenyl)methyl)-8-methyl-nonanamide, N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methylnonanamide; LC-ESI-QTOF; MS2

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: MSBNK-RIKEN_ReSpect-PT204420
RECORD_TITLE: Dihydrocapsacine, 8-Methyl-N-vanillylnonanamide, Dihydrocapsaicin, N-((4-hydroxy-3-methoxyphenyl)methyl)-8-methyl-nonanamide, N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methylnonanamide; LC-ESI-QTOF; MS2
DATE: 2008.07.28
AUTHORS: Matsuda F, Suzuki M, Sawada Y, Plant Science Center, RIKEN.
LICENSE: CC BY-NC
COPYRIGHT: Copyright(C) 2009 Plant Science Center, RIKEN
COMMENT: Build 1 2009/06/24
COMMENT: Acquisition and generation of the data is financially supported in part by CREST/JST.

CH$NAME: Dihydrocapsacine
CH$NAME: 8-Methyl-N-vanillylnonanamide
CH$NAME: Dihydrocapsaicin
CH$NAME: N-((4-hydroxy-3-methoxyphenyl)methyl)-8-methyl-nonanamide
CH$NAME: N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methylnonanamide
CH$COMPOUND_CLASS: CLASS1 Other CLASS2 Other CLASS3 Capsaicin
CH$FORMULA: C18H29NO3
CH$EXACT_MASS: 307.434
CH$SMILES: CC(C)CCCCCCC(=O)NCC1=CC(=C(C=C1)O)OC
CH$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: INCHIKEY XJQPQKLURWNAAH-UHFFFAOYSA-N

AC$INSTRUMENT: Q-Tof Premier, Waters
AC$INSTRUMENT_TYPE: LC-ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY Ramp 5-45 V
AC$MASS_SPECTROMETRY: CAPILLARY_VOLTAGE 3.0 kV
AC$CHROMATOGRAPHY: SOLVENT CH3CN/H2O

MS$FOCUSED_ION: ION_TYPE [M-H]-
MS$FOCUSED_ION: PRECURSOR_M/Z 306.20693

PK$SPLASH: splash10-00di-0900000000-4bf71c20819da305ce70
PK$NUM_PEAK: 2
PK$PEAK: m/z int. rel.int.
  170.1565 227.6 999
  306.2069 17.7 78
//

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