ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006006
RECORD_TITLE: CARANE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: CARANE
CH$NAME: 3,7,7-TRIMETHYLBICYCLO(4.1.0)HEPTANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₈
CH$EXACT_MASS: 138.14085
CH$SMILES: CC(C2)CC(C(C2)1)C(C)(C)1
CH$IUPAC: InChI=1S/C10H18/c1-7-4-5-8-9(6-7)10(8,2)3/h7-9H,4-6H2,1-3H3
CH$LINK: INCHIKEY BWRHOYDPVJPXMF-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID10858852

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 70 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-00l2-9100000000-c31fe137b5b7dd5e9786
PK$NUM_PEAK: 39
PK$PEAK: m/z int. rel.int.
  27 8.74 87
  28 1.36 14
  29 7.55 76
  39 13.38 134
  40 2.69 27
  41 33.17 332
  42 2.84 28
  43 6.21 62
  51 1.91 19
  52 1.27 13
  53 9.3 93
  54 4.36 44
  55 27.74 277
  56 3.61 36
  57 3.88 39
  65 2.98 30
  66 1.73 17
  67 51.06 511
  68 11.39 114
  69 16.61 166
  70 2.14 21
  77 4.49 45
  79 9.83 98
  80 4.84 48
  81 73.21 732
  82 27.81 278
  83 5.87 59
  91 3 30
  93 3.93 39
  94 8.81 88
  95 99.99 999
  96 17.51 175
  97 1.44 14
  109 7.8 78
  110 1.62 16
  123 25.22 252
  124 2.23 22
  138 25.26 253
  139 2.53 25
//