ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007547
RECORD_TITLE: CITRONELLOL; 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$NAME: CITRONELLOL
CH$NAME: 3,7-DIMETHYL-6-OCTEN-1-OL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₂₀O
CH$EXACT_MASS: 156.15142
CH$SMILES: OCCC(C)CCC=C(C)C
CH$IUPAC: InChI=1S/C10H20O/c1-9(2)5-4-6-10(3)7-8-11/h5,10-11H,4,6-8H2,1-3H3
CH$LINK: CAS 106-22-9
CH$LINK: INCHIKEY QMVPMAAFGQKVCJ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID3026726

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$SPLASH: splash10-067i-9100000000-22fd70bbe1b791a6e269
PK$NUM_PEAK: 14
PK$PEAK: m/z int. rel.int.
  55 50.39 504
  56 37.18 372
  67 39.01 390
  69 99.99 999
  81 48.93 489
  82 54 540
  95 35.89 359
  96 9.95 100
  109 14.19 142
  110 6.43 64
  123 21.36 214
  124 2.57 26
  138 10.52 105
  156 4.5 45
//