ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006611
RECORD_TITLE: CARVONE-1,6-OXIDE; 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$NAME: CARVONE-1,6-OXIDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₄O₂
CH$EXACT_MASS: 166.09938
CH$SMILES: CC(=C)C([H])(C2)CC(O1)C(C)(C(=O)2)1
CH$IUPAC: InChI=1S/C10H14O2/c1-6(2)7-4-8(11)10(3)9(5-7)12-10/h7,9H,1,4-5H2,2-3H3/t7-,9?,10?/m1/s1
CH$LINK: INCHIKEY YGMNGQDLUQECTO-CUUXFQNZSA-N

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$SPLASH: splash10-000f-9100000000-0098c09f66dbfa00234b
PK$NUM_PEAK: 56
PK$PEAK: m/z int. rel.int.
  15 4.38 44
  26 1.83 18
  27 23.38 234
  29 5.7 57
  38 1.48 15
  39 29.99 300
  40 4.99 50
  41 28.77 288
  42 4.29 43
  43 99.99 999
  44 2.16 22
  45 1.42 14
  50 1.7 17
  51 4.28 43
  52 2.57 26
  53 20.44 204
  54 3.23 32
  55 22.37 224
  56 1.91 19
  57 1.19 12
  63 1.27 13
  65 3.66 37
  66 2.57 26
  67 38.77 388
  68 21.45 215
  69 5.2 52
  70 3.57 36
  71 12.67 127
  77 4.23 42
  78 1.16 12
  79 12.76 128
  80 3.45 35
  81 18.49 185
  82 11.41 114
  83 2.3 23
  85 45.55 456
  86 1.69 17
  91 3.02 30
  93 3.37 34
  94 3.52 35
  95 28.01 280
  96 9.73 97
  97 6.68 67
  105 3.46 35
  107 2.36 24
  108 1.94 19
  109 15.71 157
  110 3.03 30
  120 3.87 39
  121 7.52 75
  122 1.92 19
  123 29.55 296
  124 3 30
  137 4.55 46
  138 5.86 59
  151 1.51 15
//