ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007119
RECORD_TITLE: ALPHA-TERPINENE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SODA AROMATIC CO., LTD.
LICENSE: CC BY-NC-SA

CH$NAME: ALPHA-TERPINENE
CH$NAME: 1-ISOPROPYL-4-METHYL-1,3-CYCLOHEXADIENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₆
CH$EXACT_MASS: 136.12520
CH$SMILES: CC(C)C(C1)=C([H])C([H])=C(C)C1
CH$IUPAC: InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,6,8H,5,7H2,1-3H3
CH$LINK: CAS 99-86-5
CH$LINK: INCHIKEY YHQGMYUVUMAZJR-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID9041237

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$SPLASH: splash10-006x-9500000000-e60fb974334faa2cf625
PK$NUM_PEAK: 42
PK$PEAK: m/z int. rel.int.
  15 1.71 17
  27 13.55 136
  29 7.19 72
  39 17.47 175
  40 1.84 18
  41 18.24 182
  43 14.19 142
  50 2.13 21
  51 8.62 86
  52 2.96 30
  53 8.9 89
  55 5.89 59
  62 1.02 10
  63 3.37 34
  64 1.06 11
  65 9.54 95
  66 1.55 16
  67 3.08 31
  77 32.25 323
  78 7.49 75
  79 26.55 266
  80 6.34 63
  81 2.42 24
  89 1.45 15
  91 37.08 371
  92 11.42 114
  93 85.39 854
  94 8.26 83
  103 3.08 31
  104 1.3 13
  105 17.25 173
  106 3.55 36
  107 11.84 118
  108 3.76 38
  115 1.58 16
  117 1.17 12
  119 3.39 34
  120 1.34 13
  121 99.99 999
  122 9.63 96
  136 48.53 485
  137 5.29 53
//