ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006923
RECORD_TITLE: TETRAHYDROGERANIOL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA

CH$NAME: TETRAHYDROGERANIOL
CH$NAME: 3,7-DIMETHYLOCTANOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₂₂O
CH$EXACT_MASS: 158.16707
CH$SMILES: OCCC(C)CCCC(C)C
CH$IUPAC: InChI=1S/C10H22O/c1-9(2)5-4-6-10(3)7-8-11/h9-11H,4-8H2,1-3H3
CH$LINK: INCHIKEY PRNCMAKCNVRZFX-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID5044360

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$SPLASH: splash10-0a4l-9000000000-cf4e5b3123dc8268afe3
PK$NUM_PEAK: 38
PK$PEAK: m/z int. rel.int.
  15 1.27 13
  18 1.24 12
  27 25.04 250
  28 3.86 39
  29 28.36 284
  31 32.52 325
  39 20.32 203
  40 3.93 39
  41 79.34 793
  42 24.76 248
  43 99.99 999
  44 4.75 48
  45 4.21 42
  53 7.12 71
  54 3.8 38
  55 89.76 898
  56 99.67 997
  57 71.49 715
  58 2.64 26
  67 5.49 55
  68 5.15 52
  69 66.91 669
  70 76.44 764
  71 32.47 325
  72 1.76 18
  81 2.77 28
  82 4.73 47
  83 25.51 255
  84 22.97 230
  85 5.89 59
  96 6.66 67
  97 21.83 218
  98 2.76 28
  111 8.26 83
  112 19.92 199
  113 1.86 19
  125 2.38 24
  140 1.51 15
//