ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006892
RECORD_TITLE: LIMONENE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA

CH$NAME: LIMONENE
CH$NAME: P-MENTHA-1,8-DIENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₆
CH$EXACT_MASS: 136.12520
CH$SMILES: CC1=CC[C@@H](CC1)C(=C)C
CH$IUPAC: InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3/t10-/m0/s1
CH$LINK: INCHIKEY XMGQYMWWDOXHJM-JTQLQIEISA-N
CH$LINK: COMPTOX DTXSID1020778

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$SPLASH: splash10-014l-9100000000-507f7afbc17b7c2556e2
PK$NUM_PEAK: 40
PK$PEAK: m/z int. rel.int.
  27 15.02 150
  28 2.85 29
  29 7.8 78
  38 1.46 15
  39 26.52 265
  40 8.01 80
  41 24.01 240
  42 3.24 32
  43 2.09 21
  50 1.84 18
  51 7.21 72
  52 3.17 32
  53 24.1 241
  54 2.03 20
  55 7.74 77
  63 1.88 19
  65 7.46 75
  66 4.29 43
  67 44.62 446
  68 99.99 999
  69 7.69 77
  77 15.9 159
  78 3.29 33
  79 27.53 275
  80 10.7 107
  81 10.5 105
  82 1.69 17
  91 14.64 146
  92 18.07 181
  93 58.42 584
  94 21.11 211
  95 7.23 72
  105 3.56 36
  106 1.09 11
  107 16.48 165
  108 5.13 51
  121 17.64 176
  122 1.51 15
  136 20.42 204
  137 1.98 20
//