ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007399
RECORD_TITLE: PINANE (2-D1); 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$NAME: PINANE (2-D1)
CH$NAME: 2,6,6-TRIMETHYLBICYCLO(3.1.1)HEPTANE (2-D1)
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₈
CH$EXACT_MASS: 138.14085
CH$SMILES: [2H]C(C)(C2)C(C1)C(C)(C)C(C2)1
CH$IUPAC: InChI=1S/C10H18/c1-7-4-5-8-6-9(7)10(8,2)3/h7-9H,4-6H2,1-3H3/i7D
CH$LINK: INCHIKEY XOKSLPVRUOBDEW-WHRKIXHSSA-N

AC$INSTRUMENT: HITACHI RMU-6M
AC$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$SPLASH: splash10-001i-9000000000-4aed3e1a8b4bbfea28f5
PK$NUM_PEAK: 59
PK$PEAK: m/z int. rel.int.
  15 1 10
  26 0.79 8
  27 20.37 204
  28 6.43 64
  29 14.58 146
  30 5.79 58
  38 0.93 9
  39 24.45 245
  40 8.58 86
  41 66.27 663
  42 19.66 197
  43 12.94 129
  44 3.93 39
  50 1.07 11
  51 4.29 43
  52 3 30
  53 13.01 130
  54 8.94 89
  55 60.96 610
  56 41.18 412
  57 7.93 79
  58 1.57 16
  63 1.22 12
  65 3.22 32
  66 3.29 33
  67 29.38 294
  68 51.57 516
  69 60.72 607
  70 24.73 247
  71 4.36 44
  77 5.22 52
  78 3.57 36
  79 6.08 61
  80 9.94 99
  81 31.24 312
  82 83.13 831
  83 68.43 684
  84 50.4 504
  85 6.08 61
  91 2.57 26
  92 2.64 26
  93 3.57 36
  94 11.37 114
  95 24.38 244
  96 99.99 999
  97 29.81 298
  98 6.36 64
  108 0.71 7
  109 4.15 42
  110 7.65 77
  111 3.86 39
  122 0.64 6
  123 1.64 16
  124 26.88 269
  125 2.86 29
  137 1 10
  138 0.5 5
  139 14.58 146
  140 1.57 16
//