ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007117
RECORD_TITLE: ALPHA-PINENE; 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$NAME: ALPHA-PINENE
CH$NAME: 2,6,6-TRIMETHYLBICYCLO(3.1.1)HEPT-2-ENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₆
CH$EXACT_MASS: 136.12520
CH$SMILES: CC(=C2)C(C1)C(C)(C)C(C2)1
CH$IUPAC: InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h4,8-9H,5-6H2,1-3H3
CH$LINK: CAS 80-56-8
CH$LINK: INCHIKEY GRWFGVWFFZKLTI-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID4026501

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$SPLASH: splash10-0006-9100000000-1005b74eeee7aefc15d2
PK$NUM_PEAK: 38
PK$PEAK: m/z int. rel.int.
  27 7.54 75
  29 3.48 35
  39 12.38 124
  40 1.19 12
  41 11.25 113
  42 1.67 17
  43 4.69 47
  50 1.45 15
  51 4.3 43
  52 2.19 22
  53 6.99 70
  55 5.02 50
  63 1.78 18
  65 5.24 52
  66 2.06 21
  67 6.2 62
  68 2.99 30
  69 1.09 11
  77 25.02 250
  78 4.73 47
  79 20.1 201
  80 7.87 79
  81 3.14 31
  91 28.46 285
  92 32.94 329
  93 99.99 999
  94 8.64 86
  95 1.91 19
  103 1.65 17
  105 8.73 87
  106 2.49 25
  107 5.75 58
  108 1.38 14
  119 1.81 18
  121 13.71 137
  122 1.24 12
  136 8.9 89
  137 1.27 13
//