ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007029
RECORD_TITLE: TETRAHYDROLAVANDULOL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SODA AROMATIC CO., LTD.
LICENSE: CC BY-NC-SA

CH$NAME: TETRAHYDROLAVANDULOL
CH$NAME: 5-METHYL-2-ISOPROPYLHEXANOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₂₂O
CH$EXACT_MASS: 158.16707
CH$SMILES: OCC(CCC(C)C)C(C)C
CH$IUPAC: InChI=1S/C10H22O/c1-8(2)5-6-10(7-11)9(3)4/h8-11H,5-7H2,1-4H3
CH$LINK: INCHIKEY SFIQHFBITUEIBP-UHFFFAOYSA-N

AC$INSTRUMENT: HITACHI M-80B
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0abc-9000000000-f99fb54913596259edd5
PK$NUM_PEAK: 39
PK$PEAK: m/z int. rel.int.
  27 22.02 220
  28 2.21 22
  29 21.67 217
  31 12.84 128
  39 16.26 163
  40 2.78 28
  41 63.52 635
  42 9.32 93
  43 99.99 999
  44 4.45 45
  45 4.12 41
  53 5.89 59
  54 3.11 31
  55 57.35 574
  56 49.61 496
  57 86.07 861
  58 4.02 40
  59 1.48 15
  67 4.02 40
  68 2.77 28
  69 48.63 486
  70 25.26 253
  71 77.69 777
  72 4.41 44
  81 2.21 22
  82 2.61 26
  83 12.88 129
  84 21.74 217
  85 32.09 321
  86 1.73 17
  96 2.96 30
  97 18.61 186
  98 3.5 35
  112 2.82 28
  115 2.23 22
  125 1.97 20
  126 2.04 20
  127 4.03 40
  140 3.72 37
//