ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007553
RECORD_TITLE: GERANIOL; 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$NAME: GERANIOL
CH$NAME: (E)-3,7-DIMETHYL-2,6-OCTADIEN-1-OL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₈O
CH$EXACT_MASS: 154.13577
CH$SMILES: OCC=C(C)CCC=C(C)C
CH$IUPAC: InChI=1S/C10H18O/c1-9(2)5-4-6-10(3)7-8-11/h5,7,11H,4,6,8H2,1-3H3/b10-7+
CH$LINK: CAS 106-24-1
CH$LINK: INCHIKEY GLZPCOQZEFWAFX-JXMROGBWSA-N
CH$LINK: COMPTOX DTXSID8026727

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$SPLASH: splash10-014i-9100000000-f24e92e3c3efdc35a606
PK$NUM_PEAK: 12
PK$PEAK: m/z int. rel.int.
  55 6.61 66
  57 5.29 53
  68 27.4 274
  69 99.99 999
  80 8.53 85
  84 10.74 107
  92 4.22 42
  93 18.19 182
  111 7.43 74
  121 5.77 58
  123 12.37 124
  136 4.14 41
//