ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007400
RECORD_TITLE: PINANE (3-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$NAME: PINANE (3-D1)
CH$NAME: 2,6,6-TRIMETHYLBICYCLO(3.1.1)HEPTANE (3-D1)
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₈
CH$EXACT_MASS: 138.14085
CH$SMILES: [2H]C(C1)C(C)C(C2)C(C)(C)C12
CH$IUPAC: InChI=1S/C10H18/c1-7-4-5-8-6-9(7)10(8,2)3/h7-9H,4-6H2,1-3H3/i4D
CH$LINK: INCHIKEY XOKSLPVRUOBDEW-QYKNYGDISA-N
CH$LINK: PUBCHEM CID:101624355

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$SPLASH: splash10-05o1-9000000000-0f82b577f36a18221e41
PK$NUM_PEAK: 66
PK$PEAK: m/z int. rel.int.
  15 1.02 10
  26 0.8 8
  27 23.35 234
  28 6.77 68
  29 15.52 155
  30 5.5 55
  38 1.06 11
  39 27.79 278
  40 9.18 92
  41 70.95 710
  42 21.78 218
  43 15.44 154
  44 3.34 33
  50 1.44 14
  51 5.12 51
  52 3.34 33
  53 15.57 156
  54 8.54 85
  55 63.01 630
  56 42.49 425
  57 8.67 87
  58 1.82 18
  63 1.31 13
  64 0.55 6
  65 5.12 51
  66 3.51 35
  67 28.61 286
  68 48.41 484
  69 66.91 669
  70 23.09 231
  71 5.03 50
  72 0.63 6
  77 9.77 98
  78 4.23 42
  79 10.32 103
  80 11.12 111
  81 30.64 306
  82 72.69 727
  83 79.77 798
  84 46.97 470
  85 5.46 55
  91 7.7 77
  92 9.52 95
  93 30.64 306
  94 7.36 74
  95 23.01 230
  96 99.99 999
  97 33.38 334
  98 7.23 72
  99 0.63 6
  103 1.23 12
  105 1.95 20
  106 0.59 6
  107 1.73 17
  108 1.02 10
  109 5.29 53
  110 7.95 80
  111 3.85 39
  121 3.81 38
  122 0.59 6
  123 1.35 14
  124 28.09 281
  125 2.96 30
  136 3.89 39
  139 15.99 160
  140 1.82 18
//