ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006602
RECORD_TITLE: VERBENONE; 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$NAME: VERBENONE
CH$NAME: 4,6,6-TRIMETHYLBICYCLO(3.1.1)HEPT-3-EN-2-ONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₄O
CH$EXACT_MASS: 150.10447
CH$SMILES: CC(=C2)C(C1)C(C)(C)C(C(=O)2)1
CH$IUPAC: InChI=1S/C10H14O/c1-6-4-9(11)8-5-7(6)10(8,2)3/h4,7-8H,5H2,1-3H3
CH$LINK: INCHIKEY DCSCXTJOXBUFGB-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID2048115

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$SPLASH: splash10-0553-9400000000-eb8d6917a682863e0158
PK$NUM_PEAK: 59
PK$PEAK: m/z int. rel.int.
  14 1.36 14
  15 2.8 28
  26 2.7 27
  27 42.81 428
  29 14.44 144
  38 5.21 52
  39 63.62 636
  40 7.47 75
  41 50.85 509
  42 4.47 45
  43 9.76 98
  50 6.13 61
  51 14.11 141
  52 7.52 75
  53 25 250
  54 5.36 54
  55 17.92 179
  56 2.38 24
  62 1.87 19
  63 5.37 54
  64 1.64 16
  65 14.53 145
  66 6.59 66
  67 18.4 184
  68 1.99 20
  69 5.41 54
  70 9.61 96
  77 24.03 240
  78 5.54 55
  79 41.58 416
  80 50.77 508
  81 7.77 78
  82 13.05 131
  83 3.79 38
  90 1.75 18
  91 61.6 616
  92 8.85 89
  93 9.23 92
  94 6.64 66
  95 13.99 140
  96 3.92 39
  103 2.18 22
  105 14.42 144
  106 2.93 29
  107 99.99 999
  108 31.05 311
  109 13.16 132
  110 1.24 12
  115 2.7 27
  117 3.37 34
  119 1.21 12
  121 5.48 55
  122 11.53 115
  123 2.52 25
  135 69.38 694
  136 6.06 61
  149 2.52 25
  150 44.73 447
  151 4.26 43
//