ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000245
RECORD_TITLE: ALPHA-PINENE; 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$NAME: ALPHA-PINENE
CH$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: INCHIKEY GRWFGVWFFZKLTI-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID4026501

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$SPLASH: splash10-002f-9100000000-a60ab99ee5e5c7f8221e
PK$NUM_PEAK: 42
PK$PEAK: m/z int. rel.int.
  15 1 10
  27 20 200
  28 1.9 19
  29 0.98 10
  38 1.4 14
  39 26.9 269
  40 4.1 41
  41 2.74 27
  42 1.9 19
  43 9.5 95
  50 2.2 22
  51 0.77 8
  52 3.3 33
  53 11.6 116
  54 1.4 14
  55 0.73 7
  63 2.7 27
  65 8 80
  66 2.1 21
  67 0.97 10
  68 4.3 43
  69 1.6 16
  77 29 290
  78 0.51 5
  79 23.6 236
  80 10.7 107
  81 4.1 41
  91 3.6 36
  92 32.5 325
  93 99.99 999
  94 9.4 94
  95 0.15 2
  103 1.8 18
  105 10.1 101
  106 2.7 27
  107 0.54 5
  108 1.3 13
  119 2.3 23
  121 12.1 121
  122 0.3 3
  136 11.9 119
  137 1.2 12
//