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MassBank Record: PS088104

Farnesol (mixture of isomers), 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-QQ; MS2

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

ACCESSION: PS088104
RECORD_TITLE: Farnesol (mixture of isomers), 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-QQ; MS2
DATE: 2009.02.09
AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN
LICENSE: CC-BY-NC
COPYRIGHT: Copyright(C) 2008 Plant Science Center, RIKEN
PUBLICATION: Sawada, Y.; Akiyama, K.; Sakata, A.; Kuwahara, A.; Otsuki, H.; Sakurai, T.; Saito, K.; Hirai, M. Y. Widely Targeted Metabolomics Based on Large-Scale MS/MS Data for Elucidating Metabolite Accumulation Patterns in Plants. Plant and Cell Physiology 2008, 50 (1), 37–47. DOI:10.1093/pcp/pcn183
COMMENT: Build 5
COMMENT: Data acquisition and generation is financially supported in part by CREST/JST.
COMMENT: Source compound Wako, 064-03941 .
COMMENT: PRIMe compound in-house ID S0324
COMMENT: This spectra was automatically generated from the raw data without manual curation of data quality.
COMMENT: The spectral data and services are available to the research and academic community only.
COMMENT: All users must cite follwing literature in publication(s).

CH$NAME: Farnesol (mixture of isomers)
CH$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: KEGG C01493
CH$LINK: PUBCHEM CID:445070
CH$LINK: INCHIKEY CRDAMVZIKSXKFV-UHFFFAOYSA-N

AC$INSTRUMENT: TQD, Waters
AC$INSTRUMENT_TYPE: LC-ESI-QQ
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40

MS$FOCUSED_ION: ION_TYPE [M+H]+
MS$FOCUSED_ION: PRECURSOR_M/Z 223.23

PK$SPLASH: splash10-052f-2970000000-f1d04dd8b69a2d7e1cea
PK$NUM_PEAK: 9
PK$PEAK: m/z int. rel.int.
  72.0 3567.0 81
  73.0 17529.0 397
  132.0 1802.0 41
  133.0 2465.0 56
  190.0 16722.0 379
  191.0 44129.0 999
  205.0 2185.0 49
  206.0 16196.0 367
  207.0 36854.0 834
//

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