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MassBank Record: MSBNK-RIKEN_ReSpect-PT108810

Farnesol (mixture of isomers), (2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-ol, Dihydrofarnesol, 3,7,11-Trimethyl-2,6,10-dodecatrien-1-ol, 3,7,11-Trimethyldodeca-2,6,10-trien-1-ol, Polyprenol, Stirrup, Farnesyl alcohol; LC-ESI-QTOF; MS2

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

ACCESSION: MSBNK-RIKEN_ReSpect-PT108810
RECORD_TITLE: Farnesol (mixture of isomers), (2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-ol, Dihydrofarnesol, 3,7,11-Trimethyl-2,6,10-dodecatrien-1-ol, 3,7,11-Trimethyldodeca-2,6,10-trien-1-ol, Polyprenol, Stirrup, Farnesyl alcohol; 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$NAME: Farnesol (mixture of isomers)
CH$NAME: (2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-ol
CH$NAME: Dihydrofarnesol
CH$NAME: 3,7,11-Trimethyl-2,6,10-dodecatrien-1-ol
CH$NAME: 3,7,11-Trimethyldodeca-2,6,10-trien-1-ol
CH$NAME: Polyprenol
CH$NAME: Stirrup
CH$NAME: Farnesyl alcohol
CH$COMPOUND_CLASS: CLASS1 Terpenoid CLASS2 Sesquiterpenoid CLASS3 Farnesol
CH$FORMULA: C15H26O
CH$EXACT_MASS: 222.372
CH$SMILES: CC(=CCCC(=CCCC(=CCO)C)C)C
CH$IUPAC: InChI=1S/C15H26O/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16/h7,9,11,16H,5-6,8,10,12H2,1-4H3
CH$LINK: CAS 4602-84-0
CH$LINK: INCHIKEY CRDAMVZIKSXKFV-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 POSITIVE
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 223.20615

PK$SPLASH: splash10-0a4i-0390000000-28f6b81583cd34ae7ae1
PK$NUM_PEAK: 6
PK$PEAK: m/z int. rel.int.
  73.0697 240.0 104
  191.0585 1196.0 519
  207.0933 2301.0 999
  209.0748 253.6 110
  223.13 430.2 187
  225.1103 286.2 124
//

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