ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007560
RECORD_TITLE: LINALOOL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAKEUCHI T, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: LINALOOL
CH$NAME: 3,7-DIMETHYL-1,6-OCTADIEN-3-OL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₈O
CH$EXACT_MASS: 154.13577
CH$SMILES: CC(C)=CCCC(C)(O)C=C
CH$IUPAC: InChI=1S/C10H18O/c1-5-10(4,11)8-6-7-9(2)3/h5,7,11H,1,6,8H2,2-4H3
CH$LINK: CAS 78-70-6
CH$LINK: INCHIKEY CDOSHBSSFJOMGT-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID7025502

AC$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-00dl-9100000000-b05fd1df876947bd856a
PK$NUM_PEAK: 12
PK$PEAK: m/z int. rel.int.
  55 47.21 472
  56 8.33 83
  69 40.32 403
  71 99.99 999
  80 35.08 351
  83 21.17 212
  92 12.82 128
  93 69.01 690
  107 5.94 59
  109 5.46 55
  121 22.5 225
  136 9.25 93
//