ACCESSION: MSBNK-RIKEN-PR100374
RECORD_TITLE: Farnesol; LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+
DATE: 2016.01.19 (Created 2009.09.10, modified 2012.10.22)
AUTHORS: Matsuda F, Suzuki M, Sawada Y, Plant Science Center, RIKEN.
LICENSE: CC BY-SA
COMMENT: Acquisition and generation of the data is financially supported in part by CREST/JST.

CH$NAME: Farnesol (mixture of isomers)
CH$NAME: Farnesyl alcohol
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$NAME: Dihydrofarnesol
CH$NAME: Stirrup
CH$NAME: Polyprenol
CH$NAME: Farnesol
CH$COMPOUND_CLASS: Prenol Lipids; Isoprenoids
CH$FORMULA: C₁₅H₂₆O
CH$EXACT_MASS: 222.19837
CH$SMILES: OCC=C(C)CCC=C(C)CCC=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$LINK: CHEMSPIDER 392816
CH$LINK: KEGG C01493
CH$LINK: KNAPSACK C00003132
CH$LINK: LIPIDBANK IIP0051
CH$LINK: LIPIDMAPS LMPR0103010001
CH$LINK: PUBCHEM CID:445070
CH$LINK: INCHIKEY CRDAMVZIKSXKFV-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID3032389

AC$INSTRUMENT: UPLC Q-Tof Premier, Waters
AC$INSTRUMENT_TYPE: LC-ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY Ramp 5-60 V
AC$MASS_SPECTROMETRY: DATAFORMAT Continuum
AC$MASS_SPECTROMETRY: DATE 2008.07.28
AC$MASS_SPECTROMETRY: DESOLVATION_GAS_FLOW 600.0 L/Hr
AC$MASS_SPECTROMETRY: DESOLVATION_TEMPERATURE 420 C
AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE LOW-ENERGY CID
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: SCANNING 1.0 sec/scan (m/z = 50-1000)
AC$MASS_SPECTROMETRY: SOURCE_TEMPERATURE 120 C
AC$CHROMATOGRAPHY: CAPILLARY_VOLTAGE 3.0 kV
AC$CHROMATOGRAPHY: SAMPLING_CONE 23.0 V
AC$CHROMATOGRAPHY: SOLVENT A CH3CN(0.1%HCOOH)
AC$CHROMATOGRAPHY: SOLVENT B H2O(0.1%HCOOH)

MS$FOCUSED_ION: PRECURSOR_M/Z 223.20615
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-0a4i-0390000000-28f6b81583cd34ae7ae1
PK$NUM_PEAK: 6
PK$PEAK: m/z int. rel.int.
  73.0697 240 104
  191.0585 1196 519
  207.0933 2301 999
  209.0748 253.6 110
  223.1300 430.2 187
  225.1103 286.2 124
//