ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000247
RECORD_TITLE: LIMONENE; 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$NAME: LIMONENE
CH$NAME: PARA-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$INSTRUMENT: HITACHI RMU-6M
AC$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$SPLASH: splash10-0173-9100000000-239928f205c8242a700a
PK$NUM_PEAK: 43
PK$PEAK: m/z int. rel.int.
  15 1.2 12
  27 24.9 249
  28 3.3 33
  29 1.15 12
  38 1.6 16
  39 36.2 362
  40 10.7 107
  41 3.51 35
  42 5.2 52
  43 4.2 42
  50 2.7 27
  51 0.94 9
  52 4.4 44
  53 26.7 267
  54 2.6 26
  55 0.88 9
  63 3.2 32
  65 3.4 34
  66 4.2 42
  67 5.61 56
  68 99.99 999
  69 9 90
  77 18.1 181
  78 0.39 4
  79 29.6 296
  80 11.1 111
  81 9.9 99
  82 0.16 2
  91 16.4 164
  92 18.7 187
  93 57.1 571
  94 2.22 22
  96 7.1 71
  103 1.2 12
  105 4.9 49
  106 0.16 2
  107 15.9 159
  108 4.7 47
  119 1.1 11
  121 1.64 16
  122 1.6 16
  136 24.5 245
  137 2.5 25
//