ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006594
RECORD_TITLE: 1,4-CINEOLE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HISAHIRO HAGIWARA, CHEMICAL RESEARCH INSTITUTE OF NON-AQUEOUSSOLUTIONS TOHOKU UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: 1,4-CINEOLE
CH$NAME: 1-METHYL-4-ISOPROPYL-8-OXABICYCLO(2.2.1)HEPTANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₈O
CH$EXACT_MASS: 154.13577
CH$SMILES: CC(C)C(C2)(C1)OC(C)(C2)C1
CH$IUPAC: InChI=1S/C10H18O/c1-8(2)10-6-4-9(3,11-10)5-7-10/h8H,4-7H2,1-3H3
CH$LINK: INCHIKEY RFFOTVCVTJUTAD-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID3047396

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$SPLASH: splash10-01ox-9300000000-b9a5b5d2f98cced31647
PK$NUM_PEAK: 55
PK$PEAK: m/z int. rel.int.
  15 2.9 29
  26 1.07 11
  27 22.47 225
  28 1.75 18
  29 10.69 107
  39 18.96 190
  40 3.03 30
  41 43.95 440
  42 4.12 41
  43 99.99 999
  44 2.61 26
  45 1.17 12
  51 2.06 21
  52 1.24 12
  53 10.64 106
  54 3.67 37
  55 40.64 406
  56 3.21 32
  57 2.23 22
  58 11.39 114
  59 1.16 12
  65 2.13 21
  66 1.04 10
  67 11.49 115
  68 9.8 98
  69 35.23 352
  70 3.53 35
  71 59.77 598
  72 3.13 31
  77 2.18 22
  79 2.85 29
  81 17.3 173
  82 2.87 29
  83 15.87 159
  84 5.86 59
  85 1.22 12
  86 8.63 86
  91 1.29 13
  93 6.98 70
  95 3.12 31
  96 8.8 88
  97 5.45 55
  98 1.06 11
  107 3.5 35
  108 1.95 20
  109 1.27 13
  110 3.98 40
  111 73.55 736
  112 6.38 64
  121 5.47 55
  125 28.67 287
  126 5.61 56
  139 9.29 93
  154 26.08 261
  155 2.52 25
//