ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007118
RECORD_TITLE: BETA-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$NAME: BETA-PINENE
CH$NAME: 6,6-DIMETHYL-2-METHYLENEBICYCLO(3.1.1)HEPTANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₆
CH$EXACT_MASS: 136.12520
CH$SMILES: C=C(C2)C(C1)C(C)(C)C(C2)1
CH$IUPAC: InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h8-9H,1,4-6H2,2-3H3
CH$LINK: CAS 18172-67-3
CH$LINK: COMPTOX DTXSID7027049
CH$LINK: INCHIKEY WTARULDDTDQWMU-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:14896

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$SPLASH: splash10-0006-9000000000-a27a5e806c4c8566e6a9
PK$NUM_PEAK: 36
PK$PEAK: m/z int. rel.int.
  27 13.98 140
  29 6 60
  39 21.58 216
  40 3.77 38
  41 45.36 454
  42 2.02 20
  43 4.32 43
  50 1.44 14
  51 5.6 56
  52 3.06 31
  53 11.23 112
  54 1.28 13
  55 6.57 66
  63 1.51 15
  65 5.79 58
  66 1.97 20
  67 9.96 100
  68 2.8 28
  69 35.75 358
  70 1.51 15
  77 20.24 202
  78 4.11 41
  79 21.9 219
  80 10.66 107
  81 3.04 30
  82 1.19 12
  91 17.74 177
  92 9.44 94
  93 99.99 999
  94 13.25 133
  95 2.51 25
  105 2.6 26
  107 4.46 45
  108 1.27 13
  121 10.84 108
  136 9.35 94
//