ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006592
RECORD_TITLE: TRANS-LIMONENE-1,2-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$NAME: TRANS-LIMONENE-1,2-OXIDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₆O
CH$EXACT_MASS: 152.12012
CH$SMILES: CC(=C)C(C2)CC([H])(O1)C(C)(C2)1
CH$IUPAC: InChI=1S/C10H16O/c1-7(2)8-4-5-10(3)9(6-8)11-10/h8-9H,1,4-6H2,2-3H3/t8?,9-,10-/m0/s1
CH$LINK: INCHIKEY CCEFMUBVSUDRLG-AGROOBSYSA-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$SPLASH: splash10-0006-9100000000-d2c2c757fab643e28b4c
PK$NUM_PEAK: 60
PK$PEAK: m/z int. rel.int.
  15 2.95 30
  26 1.04 10
  27 22.89 229
  29 10.48 105
  38 1.3 13
  39 32.19 322
  40 5.08 51
  41 44.69 447
  42 3.65 37
  43 99.99 999
  44 15.41 154
  45 2.6 26
  50 1.28 13
  51 3.94 39
  52 2.02 20
  53 16.78 168
  54 4.73 47
  55 19.82 198
  56 2.98 30
  57 1.68 17
  58 1.71 17
  63 1.23 12
  65 3.58 36
  66 2.25 23
  67 51.53 515
  68 9.39 94
  69 7.07 71
  70 1.32 13
  71 24.23 242
  72 1.07 11
  77 6.3 63
  78 1.5 15
  79 23.57 236
  80 3.1 31
  81 23.03 230
  82 22.55 226
  83 6.17 62
  84 7.61 76
  91 6.75 68
  92 2.24 22
  93 27.12 271
  94 8.92 89
  95 12.75 128
  96 2.48 25
  97 2.6 26
  105 2.73 27
  106 1.22 12
  107 4.08 41
  108 18.87 189
  109 28.12 281
  110 6.07 61
  111 2.03 20
  119 6.82 68
  121 3.63 36
  123 8.51 85
  124 3.29 33
  134 2.71 27
  137 21.21 212
  138 1.7 17
  152 3.16 32
//