ACCESSION: MSBNK-RIKEN_ReSpect-PT108760
RECORD_TITLE: cis-3,7,11-Trimethyldodeca-1,6,10-trien-3-ol, (6Z)-3,7,11-trimethyl-1,6,10-dodecatrien-3-ol, (3S,6Z)-3,7,11-trimethyldodeca-1,6,10-trien-3-ol, cis-Nerolidol; 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$NAME: cis-3,7,11-Trimethyldodeca-1,6,10-trien-3-ol
CH$NAME: (6Z)-3,7,11-trimethyl-1,6,10-dodecatrien-3-ol
CH$NAME: (3S,6Z)-3,7,11-trimethyldodeca-1,6,10-trien-3-ol
CH$NAME: cis-Nerolidol
CH$COMPOUND_CLASS: CLASS1 Terpenoid CLASS2 Sesquiterpenoid CLASS3 Nerolidol
CH$FORMULA: C₁₅H₂₆O
CH$EXACT_MASS: 222.372
CH$SMILES: CC(=CCCC(=CCCC(C)(C=C)O)C)C
CH$IUPAC: InChI=1S/C15H26O/c1-6-15(5,16)12-8-11-14(4)10-7-9-13(2)3/h6,9,11,16H,1,7-8,10,12H2,2-5H3
CH$LINK: CAS 3790-78-1
CH$LINK: INCHIKEY FQTLCLSUCSAZDY-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$SPLASH: splash10-0a4i-0390000000-64cd94d51161983a9ebd
PK$NUM_PEAK: 6
PK$PEAK: m/z int. rel.int.
  73.0643 189.3 109
  191.0455 831.2 477
  207.08 1739.0 999
  209.0598 188.5 108
  223.1143 335.1 193
  225.0956 200.9 115
//